# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/22a66908-b825-4845-9dcb-c72735301f87/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Re3S4Br / P2_1/c (14) / materials id 652046](https://mdr.nims.go.jp/datasets/cf68a44f-fe19-42b8-b898-1ab6838bca78) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:22:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: 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 6.338558454161994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -4.395909631188262 0.000000000000000 10.175406217956152Atomic positions (fractional): *1 Re 0.68844781493665 0.47657867197652 0.43923349875486 186.207 *2 Re 0.96461943575698 0.56222045956493 0.33954665914048 186.207 *3 Re 0.96456497820864 0.64894048260569 0.55556806610945 186.207 4 Re 0.31155218506335 0.52342132802348 0.56076650124514 186.207 5 Re 0.31155218506335 0.97657867197652 0.06076650124514 186.207 6 Re 0.68844781493665 0.02342132802348 0.93923349875486 186.207 7 Re 0.03538056424302 0.43777954043507 0.66045334085952 186.207 8 Re 0.96461943575698 0.93777954043507 0.83954665914048 186.207 9 Re 0.03543502179136 0.35105951739431 0.44443193389055 186.207 10 Re 0.03538056424302 0.06222045956493 0.16045334085951 186.207 11 Re 0.03543502179136 0.14894048260569 0.94443193389055 186.207 12 Re 0.96456497820864 0.85105951739431 0.05556806610945 186.207 *13 S 0.35183299138846 0.32994456121473 0.65303554400388 32.065 *14 S 0.27203898845427 0.43673562023030 0.34443569487782 32.065 15 S 0.27203898845427 0.06326437976970 0.84443569487782 32.065 *16 S 0.22270697222621 0.71389069562205 0.46129882929365 32.065 17 S 0.77729302777379 0.21389069562205 0.03870117070635 32.065 *18 S 0.71270223306304 0.10074796806652 0.74574710858395 32.065 19 S 0.28729776693696 0.89925203193348 0.25425289141605 32.065 20 S 0.77729302777379 0.28610930437795 0.53870117070635 32.065 21 S 0.72796101154573 0.93673562023030 0.15556430512218 32.065 22 S 0.72796101154573 0.56326437976970 0.65556430512218 32.065 23 S 0.28729776693696 0.60074796806652 0.75425289141605 32.065 24 S 0.64816700861154 0.67005543878527 0.34696445599612 32.065 25 S 0.64816700861154 0.82994456121473 0.84696445599612 32.065 26 S 0.71270223306304 0.39925203193348 0.24574710858395 32.065 27 S 0.35183299138846 0.17005543878527 0.15303554400388 32.065 28 S 0.22270697222621 0.78610930437795 0.96129882929365 32.065 *29 Br 0.10285118379297 0.36493230644546 0.89378269560030 79.904 30 Br 0.10285118379297 0.13506769355454 0.39378269560030 79.904 31 Br 0.89714881620703 0.63506769355454 0.10621730439970 79.904 32 Br 0.89714881620703 0.86493230644546 0.60621730439970 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.338558454161994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -4.395909631188262 0.000000000000000 10.175406217956152Atomic positions (fractional): *1 Re 0.68844781493665 0.47657867197652 0.43923349875486 186.207 > 1 *2 Re 0.96461943575698 0.56222045956493 0.33954665914048 186.207 > 2 *3 Re 0.96456497820864 0.64894048260569 0.55556806610945 186.207 > 3 4 Re 0.31155218506335 0.52342132802348 0.56076650124514 186.207 > 4 5 Re 0.31155218506335 0.97657867197652 0.06076650124514 186.207 > 5 6 Re 0.68844781493665 0.02342132802348 0.93923349875486 186.207 > 6 7 Re 0.03538056424302 0.43777954043507 0.66045334085952 186.207 > 7 8 Re 0.96461943575698 0.93777954043507 0.83954665914048 186.207 > 8 9 Re 0.03543502179136 0.35105951739431 0.44443193389055 186.207 > 9 10 Re 0.03538056424302 0.06222045956493 0.16045334085951 186.207 > 10 11 Re 0.03543502179136 0.14894048260569 0.94443193389055 186.207 > 11 12 Re 0.96456497820864 0.85105951739431 0.05556806610945 186.207 > 12 *13 S 0.35183299138846 0.32994456121473 0.65303554400388 32.065 > 13 *14 S 0.27203898845427 0.43673562023030 0.34443569487782 32.065 > 14 15 S 0.27203898845427 0.06326437976970 0.84443569487782 32.065 > 15 *16 S 0.22270697222621 0.71389069562205 0.46129882929365 32.065 > 16 17 S 0.77729302777379 0.21389069562205 0.03870117070635 32.065 > 17 *18 S 0.71270223306304 0.10074796806652 0.74574710858395 32.065 > 18 19 S 0.28729776693696 0.89925203193348 0.25425289141605 32.065 > 19 20 S 0.77729302777379 0.28610930437795 0.53870117070635 32.065 > 20 21 S 0.72796101154573 0.93673562023030 0.15556430512218 32.065 > 21 22 S 0.72796101154573 0.56326437976970 0.65556430512218 32.065 > 22 23 S 0.28729776693696 0.60074796806652 0.75425289141605 32.065 > 23 24 S 0.64816700861154 0.67005543878527 0.34696445599612 32.065 > 24 25 S 0.64816700861154 0.82994456121473 0.84696445599612 32.065 > 25 26 S 0.71270223306304 0.39925203193348 0.24574710858395 32.065 > 26 27 S 0.35183299138846 0.17005543878527 0.15303554400388 32.065 > 27 28 S 0.22270697222621 0.78610930437795 0.96129882929365 32.065 > 28 *29 Br 0.10285118379297 0.36493230644546 0.89378269560030 79.904 > 29 30 Br 0.10285118379297 0.13506769355454 0.39378269560030 79.904 > 30 31 Br 0.89714881620703 0.63506769355454 0.10621730439970 79.904 > 31 32 Br 0.89714881620703 0.86493230644546 0.60621730439970 79.904 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 12.677116908323988 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -8.791819262376524 0.000000000000000 20.350812435912303Atomic positions (fractional): *1 Re 0.34422390746833 0.47657867197652 0.21961674937743 186.207 > 1 2 Re 0.84422390746833 0.47657867197652 0.21961674937743 186.207 > 1 3 Re 0.34422390746833 0.47657867197652 0.71961674937743 186.207 > 1 4 Re 0.84422390746833 0.47657867197652 0.71961674937743 186.207 > 1 *5 Re 0.48230971787849 0.56222045956493 0.16977332957024 186.207 > 2 6 Re 0.98230971787849 0.56222045956493 0.16977332957024 186.207 > 2 7 Re 0.48230971787849 0.56222045956493 0.66977332957024 186.207 > 2 8 Re 0.98230971787849 0.56222045956493 0.66977332957024 186.207 > 2 *9 Re 0.48228248910432 0.64894048260569 0.27778403305472 186.207 > 3 10 Re 0.98228248910432 0.64894048260569 0.27778403305472 186.207 > 3 11 Re 0.48228248910432 0.64894048260569 0.77778403305472 186.207 > 3 12 Re 0.98228248910432 0.64894048260569 0.77778403305472 186.207 > 3 13 Re 0.15577609253167 0.52342132802348 0.28038325062257 186.207 > 4 14 Re 0.65577609253167 0.52342132802348 0.28038325062257 186.207 > 4 15 Re 0.15577609253167 0.52342132802348 0.78038325062257 186.207 > 4 16 Re 0.65577609253167 0.52342132802348 0.78038325062257 186.207 > 4 17 Re 0.15577609253167 0.97657867197652 0.03038325062257 186.207 > 5 18 Re 0.65577609253167 0.97657867197652 0.03038325062257 186.207 > 5 19 Re 0.15577609253167 0.97657867197652 0.53038325062257 186.207 > 5 20 Re 0.65577609253167 0.97657867197652 0.53038325062257 186.207 > 5 21 Re 0.34422390746833 0.02342132802348 0.46961674937743 186.207 > 6 22 Re 0.84422390746833 0.02342132802348 0.46961674937743 186.207 > 6 23 Re 0.34422390746833 0.02342132802348 0.96961674937743 186.207 > 6 24 Re 0.84422390746833 0.02342132802348 0.96961674937743 186.207 > 6 25 Re 0.01769028212151 0.43777954043507 0.33022667042976 186.207 > 7 26 Re 0.51769028212151 0.43777954043507 0.33022667042976 186.207 > 7 27 Re 0.01769028212151 0.43777954043507 0.83022667042976 186.207 > 7 28 Re 0.51769028212151 0.43777954043507 0.83022667042976 186.207 > 7 29 Re 0.48230971787849 0.93777954043507 0.41977332957024 186.207 > 8 30 Re 0.98230971787849 0.93777954043507 0.41977332957024 186.207 > 8 31 Re 0.48230971787849 0.93777954043507 0.91977332957024 186.207 > 8 32 Re 0.98230971787849 0.93777954043507 0.91977332957024 186.207 > 8 33 Re 0.01771751089568 0.35105951739431 0.22221596694528 186.207 > 9 34 Re 0.51771751089568 0.35105951739431 0.22221596694528 186.207 > 9 35 Re 0.01771751089568 0.35105951739431 0.72221596694528 186.207 > 9 36 Re 0.51771751089568 0.35105951739431 0.72221596694528 186.207 > 9 37 Re 0.01769028212151 0.06222045956493 0.08022667042976 186.207 > 10 38 Re 0.51769028212151 0.06222045956493 0.08022667042976 186.207 > 10 39 Re 0.01769028212151 0.06222045956493 0.58022667042976 186.207 > 10 40 Re 0.51769028212151 0.06222045956493 0.58022667042976 186.207 > 10 41 Re 0.01771751089568 0.14894048260569 0.47221596694528 186.207 > 11 42 Re 0.51771751089568 0.14894048260569 0.47221596694528 186.207 > 11 43 Re 0.01771751089568 0.14894048260569 0.97221596694528 186.207 > 11 44 Re 0.51771751089568 0.14894048260569 0.97221596694528 186.207 > 11 45 Re 0.48228248910432 0.85105951739431 0.02778403305472 186.207 > 12 46 Re 0.98228248910432 0.85105951739431 0.02778403305472 186.207 > 12 47 Re 0.48228248910432 0.85105951739431 0.52778403305472 186.207 > 12 48 Re 0.98228248910432 0.85105951739431 0.52778403305472 186.207 > 12 *49 S 0.17591649569423 0.32994456121473 0.32651777200194 32.065 > 13 50 S 0.67591649569423 0.32994456121473 0.32651777200194 32.065 > 13 51 S 0.17591649569423 0.32994456121473 0.82651777200194 32.065 > 13 52 S 0.67591649569423 0.32994456121473 0.82651777200194 32.065 > 13 *53 S 0.13601949422713 0.43673562023030 0.17221784743891 32.065 > 14 54 S 0.63601949422713 0.43673562023030 0.17221784743891 32.065 > 14 55 S 0.13601949422713 0.43673562023030 0.67221784743891 32.065 > 14 56 S 0.63601949422713 0.43673562023030 0.67221784743891 32.065 > 14 57 S 0.13601949422713 0.06326437976970 0.42221784743891 32.065 > 15 58 S 0.63601949422713 0.06326437976970 0.42221784743891 32.065 > 15 59 S 0.13601949422713 0.06326437976970 0.92221784743891 32.065 > 15 60 S 0.63601949422713 0.06326437976970 0.92221784743891 32.065 > 15 *61 S 0.11135348611310 0.71389069562205 0.23064941464683 32.065 > 16 62 S 0.61135348611311 0.71389069562205 0.23064941464683 32.065 > 16 63 S 0.11135348611310 0.71389069562205 0.73064941464683 32.065 > 16 64 S 0.61135348611311 0.71389069562205 0.73064941464683 32.065 > 16 65 S 0.38864651388689 0.21389069562205 0.01935058535317 32.065 > 17 66 S 0.88864651388689 0.21389069562205 0.01935058535317 32.065 > 17 67 S 0.38864651388689 0.21389069562205 0.51935058535317 32.065 > 17 68 S 0.88864651388689 0.21389069562205 0.51935058535317 32.065 > 17 *69 S 0.35635111653152 0.10074796806652 0.37287355429197 32.065 > 18 70 S 0.85635111653152 0.10074796806652 0.37287355429197 32.065 > 18 71 S 0.35635111653152 0.10074796806652 0.87287355429197 32.065 > 18 72 S 0.85635111653152 0.10074796806652 0.87287355429197 32.065 > 18 73 S 0.14364888346848 0.89925203193348 0.12712644570803 32.065 > 19 74 S 0.64364888346848 0.89925203193348 0.12712644570803 32.065 > 19 75 S 0.14364888346848 0.89925203193348 0.62712644570803 32.065 > 19 76 S 0.64364888346848 0.89925203193348 0.62712644570803 32.065 > 19 77 S 0.38864651388689 0.28610930437795 0.26935058535317 32.065 > 20 78 S 0.88864651388689 0.28610930437795 0.26935058535317 32.065 > 20 79 S 0.38864651388689 0.28610930437795 0.76935058535317 32.065 > 20 80 S 0.88864651388689 0.28610930437795 0.76935058535317 32.065 > 20 81 S 0.36398050577287 0.93673562023030 0.07778215256109 32.065 > 21 82 S 0.86398050577287 0.93673562023030 0.07778215256109 32.065 > 21 83 S 0.36398050577287 0.93673562023030 0.57778215256109 32.065 > 21 84 S 0.86398050577287 0.93673562023030 0.57778215256109 32.065 > 21 85 S 0.36398050577287 0.56326437976970 0.32778215256109 32.065 > 22 86 S 0.86398050577287 0.56326437976970 0.32778215256109 32.065 > 22 87 S 0.36398050577287 0.56326437976970 0.82778215256109 32.065 > 22 88 S 0.86398050577287 0.56326437976970 0.82778215256109 32.065 > 22 89 S 0.14364888346848 0.60074796806652 0.37712644570803 32.065 > 23 90 S 0.64364888346848 0.60074796806652 0.37712644570803 32.065 > 23 91 S 0.14364888346848 0.60074796806652 0.87712644570803 32.065 > 23 92 S 0.64364888346848 0.60074796806652 0.87712644570803 32.065 > 23 93 S 0.32408350430577 0.67005543878527 0.17348222799806 32.065 > 24 94 S 0.82408350430577 0.67005543878527 0.17348222799806 32.065 > 24 95 S 0.32408350430577 0.67005543878527 0.67348222799806 32.065 > 24 96 S 0.82408350430577 0.67005543878527 0.67348222799806 32.065 > 24 97 S 0.32408350430577 0.82994456121473 0.42348222799806 32.065 > 25 98 S 0.82408350430577 0.82994456121473 0.42348222799806 32.065 > 25 99 S 0.32408350430577 0.82994456121473 0.92348222799806 32.065 > 25 100 S 0.82408350430577 0.82994456121473 0.92348222799806 32.065 > 25 101 S 0.35635111653152 0.39925203193348 0.12287355429197 32.065 > 26 102 S 0.85635111653152 0.39925203193348 0.12287355429197 32.065 > 26 103 S 0.35635111653152 0.39925203193348 0.62287355429197 32.065 > 26 104 S 0.85635111653152 0.39925203193348 0.62287355429197 32.065 > 26 105 S 0.17591649569423 0.17005543878527 0.07651777200194 32.065 > 27 106 S 0.67591649569423 0.17005543878527 0.07651777200194 32.065 > 27 107 S 0.17591649569423 0.17005543878527 0.57651777200194 32.065 > 27 108 S 0.67591649569423 0.17005543878527 0.57651777200194 32.065 > 27 109 S 0.11135348611310 0.78610930437795 0.48064941464683 32.065 > 28 110 S 0.61135348611311 0.78610930437795 0.48064941464683 32.065 > 28 111 S 0.11135348611310 0.78610930437795 0.98064941464683 32.065 > 28 112 S 0.61135348611311 0.78610930437795 0.98064941464683 32.065 > 28 *113 Br 0.05142559189648 0.36493230644546 0.44689134780015 79.904 > 29 114 Br 0.55142559189648 0.36493230644546 0.44689134780015 79.904 > 29 115 Br 0.05142559189648 0.36493230644546 0.94689134780015 79.904 > 29 116 Br 0.55142559189648 0.36493230644546 0.94689134780015 79.904 > 29 117 Br 0.05142559189648 0.13506769355454 0.19689134780015 79.904 > 30 118 Br 0.55142559189648 0.13506769355454 0.19689134780015 79.904 > 30 119 Br 0.05142559189648 0.13506769355454 0.69689134780015 79.904 > 30 120 Br 0.55142559189648 0.13506769355454 0.69689134780015 79.904 > 30 121 Br 0.44857440810352 0.63506769355454 0.05310865219985 79.904 > 31 122 Br 0.94857440810352 0.63506769355454 0.05310865219985 79.904 > 31 123 Br 0.44857440810352 0.63506769355454 0.55310865219985 79.904 > 31 124 Br 0.94857440810352 0.63506769355454 0.55310865219985 79.904 > 31 125 Br 0.44857440810352 0.86493230644546 0.30310865219985 79.904 > 32 126 Br 0.94857440810352 0.86493230644546 0.30310865219985 79.904 > 32 127 Br 0.44857440810352 0.86493230644546 0.80310865219985 79.904 > 32 128 Br 0.94857440810352 0.86493230644546 0.80310865219985 79.904 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.4995745 0.0000000 -0.2404774 0.0000000 6.8181340 0.0000000 -0.2405908 0.0000000 6.2767353-------------------------- Born effective charges -------------------------- 1 Re 0.6698668 0.0762766 -0.0383470 -0.1615699 0.2321799 0.4982326 -0.1580122 0.0359128 0.7238609 2 Re 0.4632980 -1.0228314 0.4696507 -0.0438358 0.2471296 -0.8334007 0.1448820 -0.4572096 1.1650028 3 Re 0.5161484 0.9309470 -0.1899144 0.0168752 1.0644645 0.0725459 -0.0315130 1.0992970 0.1413638 4 Re 0.6698668 0.0762766 -0.0383470 -0.1615699 0.2321799 0.4982326 -0.1580122 0.0359128 0.7238609 5 Re 0.6698668 -0.0762766 -0.0383470 0.1615699 0.2321799 -0.4982326 -0.1580122 -0.0359128 0.7238609 6 Re 0.6698668 -0.0762766 -0.0383470 0.1615699 0.2321799 -0.4982326 -0.1580122 -0.0359128 0.7238609 7 Re 0.4632980 -1.0228314 0.4696507 -0.0438358 0.2471296 -0.8334007 0.1448820 -0.4572096 1.1650028 8 Re 0.4632980 1.0228314 0.4696507 0.0438358 0.2471296 0.8334007 0.1448820 0.4572096 1.1650028 9 Re 0.5161484 0.9309470 -0.1899144 0.0168752 1.0644645 0.0725459 -0.0315130 1.0992970 0.1413638 10 Re 0.4632980 1.0228314 0.4696507 0.0438358 0.2471296 0.8334007 0.1448820 0.4572096 1.1650028 11 Re 0.5161484 -0.9309470 -0.1899144 -0.0168752 1.0644645 -0.0725459 -0.0315130 -1.0992970 0.1413638 12 Re 0.5161484 -0.9309470 -0.1899144 -0.0168752 1.0644645 -0.0725459 -0.0315130 -1.0992970 0.1413638 13 S -0.3796849 0.4404957 -0.2588090 0.1183174 -0.3029588 0.1309780 -0.1582349 0.1847268 -0.2007700 14 S -1.0516978 -0.1646192 -0.3065002 -0.0071971 0.1962097 -0.3722951 -0.0741828 -0.2654838 -0.5562492 15 S -1.0516978 0.1646192 -0.3065002 0.0071971 0.1962097 0.3722951 -0.0741828 0.2654838 -0.5562492 16 S -0.3369826 -0.4778279 0.1169595 -0.1541715 -0.4130371 0.0639278 -0.1240598 -0.0964740 -0.0341866 17 S -0.3369826 0.4778279 0.1169595 0.1541715 -0.4130371 -0.0639278 -0.1240598 0.0964740 -0.0341866 18 S -0.1328306 0.0162992 -0.0529260 -0.0824752 -0.0149445 0.0287170 -0.0129914 0.0157118 -0.4208642 19 S -0.1328306 0.0162992 -0.0529260 -0.0824752 -0.0149445 0.0287170 -0.0129914 0.0157118 -0.4208642 20 S -0.3369826 -0.4778279 0.1169595 -0.1541715 -0.4130371 0.0639278 -0.1240598 -0.0964740 -0.0341866 21 S -1.0516978 0.1646192 -0.3065002 0.0071971 0.1962097 0.3722951 -0.0741828 0.2654838 -0.5562492 22 S -1.0516978 -0.1646192 -0.3065002 -0.0071971 0.1962097 -0.3722951 -0.0741828 -0.2654838 -0.5562492 23 S -0.1328306 -0.0162992 -0.0529260 0.0824752 -0.0149445 -0.0287170 -0.0129914 -0.0157118 -0.4208642 24 S -0.3796849 0.4404957 -0.2588090 0.1183174 -0.3029588 0.1309780 -0.1582349 0.1847268 -0.2007700 25 S -0.3796849 -0.4404957 -0.2588090 -0.1183174 -0.3029588 -0.1309780 -0.1582349 -0.1847268 -0.2007700 26 S -0.1328306 -0.0162992 -0.0529260 0.0824752 -0.0149445 -0.0287170 -0.0129914 -0.0157118 -0.4208642 27 S -0.3796849 -0.4404957 -0.2588090 -0.1183174 -0.3029588 -0.1309780 -0.1582349 -0.1847268 -0.2007700 28 S -0.3369826 0.4778279 0.1169595 0.1541715 -0.4130371 -0.0639278 -0.1240598 0.0964740 -0.0341866 29 Br 0.2518828 -0.3296337 0.2598865 -0.4178690 -1.0090433 1.0849836 0.4141121 1.0783002 -0.8181575 30 Br 0.2518828 0.3296337 0.2598865 0.4178690 -1.0090433 -1.0849836 0.4141121 -1.0783002 -0.8181575 31 Br 0.2518828 -0.3296337 0.2598865 -0.4178690 -1.0090433 1.0849836 0.4141121 1.0783002 -0.8181575 32 Br 0.2518828 0.3296337 0.2598865 0.4178690 -1.0090433 -1.0849836 0.4141121 -1.0783002 -0.8181575----------------------------------------------------------------------------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: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4752Number of blocks in projector: 4752Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1024Use 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: 2 / 6 ---Block_size: 1024Use 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) 234 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1024Use 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) 234 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 560Use 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: 560Use 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: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), 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, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 264), data: True |-- (250, 234), 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, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 264), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), 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-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 960 - Time: 1.337Solver_block: 200 / 960 - Time: 1.148Solver_block: 300 / 960 - Time: 1.145Solver_block: 400 / 960 - Time: 1.130Solver_block: 500 / 960 - Time: 1.163Solver_block: 600 / 960 - Time: 1.124Solver_block: 700 / 960 - Time: 1.158Solver_block: 800 / 960 - Time: 1.154Solver_block: 900 / 960 - Time: 1.151Solver_block: 960 / 960 - Time: 0.789Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.634--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 4752Number of blocks in projector: 4752Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1024Use 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: 2 / 6 ---Block_size: 1024Use 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) 234 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1024Use 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) 234 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 560Use 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: 560Use 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: 560Use submatrix version of eigh solver.(1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 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, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), 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, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 264), data: True |-- (250, 234), 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, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 10), data: (524, 26) @ (26, 10) |-- (274, 264), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), 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: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:23:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:23:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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 6.338558454161994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -4.395909631188262 0.000000000000000 10.175406217956152Atomic positions (fractional): 1 Re 0.68844781493665 0.47657867197652 0.43923349875486 186.207 2 Re 0.96461943575698 0.56222045956493 0.33954665914048 186.207 3 Re 0.96456497820864 0.64894048260569 0.55556806610945 186.207 4 Re 0.31155218506335 0.52342132802348 0.56076650124514 186.207 5 Re 0.31155218506335 0.97657867197652 0.06076650124514 186.207 6 Re 0.68844781493665 0.02342132802348 0.93923349875486 186.207 7 Re 0.03538056424302 0.43777954043507 0.66045334085952 186.207 8 Re 0.96461943575698 0.93777954043507 0.83954665914048 186.207 9 Re 0.03543502179136 0.35105951739431 0.44443193389055 186.207 10 Re 0.03538056424302 0.06222045956493 0.16045334085951 186.207 11 Re 0.03543502179136 0.14894048260569 0.94443193389055 186.207 12 Re 0.96456497820864 0.85105951739431 0.05556806610945 186.207 13 S 0.35183299138846 0.32994456121473 0.65303554400388 32.065 14 S 0.27203898845427 0.43673562023030 0.34443569487782 32.065 15 S 0.27203898845427 0.06326437976970 0.84443569487782 32.065 16 S 0.22270697222621 0.71389069562205 0.46129882929365 32.065 17 S 0.77729302777379 0.21389069562205 0.03870117070635 32.065 18 S 0.71270223306304 0.10074796806652 0.74574710858395 32.065 19 S 0.28729776693696 0.89925203193348 0.25425289141605 32.065 20 S 0.77729302777379 0.28610930437795 0.53870117070635 32.065 21 S 0.72796101154573 0.93673562023030 0.15556430512218 32.065 22 S 0.72796101154573 0.56326437976970 0.65556430512218 32.065 23 S 0.28729776693696 0.60074796806652 0.75425289141605 32.065 24 S 0.64816700861154 0.67005543878527 0.34696445599612 32.065 25 S 0.64816700861154 0.82994456121473 0.84696445599612 32.065 26 S 0.71270223306304 0.39925203193348 0.24574710858395 32.065 27 S 0.35183299138846 0.17005543878527 0.15303554400388 32.065 28 S 0.22270697222621 0.78610930437795 0.96129882929365 32.065 29 Br 0.10285118379297 0.36493230644546 0.89378269560030 79.904 30 Br 0.10285118379297 0.13506769355454 0.39378269560030 79.904 31 Br 0.89714881620703 0.63506769355454 0.10621730439970 79.904 32 Br 0.89714881620703 0.86493230644546 0.60621730439970 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 12.677116908323988 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -8.791819262376524 0.000000000000000 20.350812435912303Atomic positions (fractional): 1 Re 0.34422390746833 0.47657867197652 0.21961674937743 186.207 > 1 2 Re 0.84422390746833 0.47657867197652 0.21961674937743 186.207 > 1 3 Re 0.34422390746833 0.47657867197652 0.71961674937743 186.207 > 1 4 Re 0.84422390746833 0.47657867197652 0.71961674937743 186.207 > 1 5 Re 0.48230971787849 0.56222045956493 0.16977332957024 186.207 > 5 6 Re 0.98230971787849 0.56222045956493 0.16977332957024 186.207 > 5 7 Re 0.48230971787849 0.56222045956493 0.66977332957024 186.207 > 5 8 Re 0.98230971787849 0.56222045956493 0.66977332957024 186.207 > 5 9 Re 0.48228248910432 0.64894048260569 0.27778403305472 186.207 > 9 10 Re 0.98228248910432 0.64894048260569 0.27778403305472 186.207 > 9 11 Re 0.48228248910432 0.64894048260569 0.77778403305472 186.207 > 9 12 Re 0.98228248910432 0.64894048260569 0.77778403305472 186.207 > 9 13 Re 0.15577609253167 0.52342132802348 0.28038325062257 186.207 > 13 14 Re 0.65577609253167 0.52342132802348 0.28038325062257 186.207 > 13 15 Re 0.15577609253167 0.52342132802348 0.78038325062257 186.207 > 13 16 Re 0.65577609253167 0.52342132802348 0.78038325062257 186.207 > 13 17 Re 0.15577609253167 0.97657867197652 0.03038325062257 186.207 > 17 18 Re 0.65577609253167 0.97657867197652 0.03038325062257 186.207 > 17 19 Re 0.15577609253167 0.97657867197652 0.53038325062257 186.207 > 17 20 Re 0.65577609253167 0.97657867197652 0.53038325062257 186.207 > 17 21 Re 0.34422390746833 0.02342132802348 0.46961674937743 186.207 > 21 22 Re 0.84422390746833 0.02342132802348 0.46961674937743 186.207 > 21 23 Re 0.34422390746833 0.02342132802348 0.96961674937743 186.207 > 21 24 Re 0.84422390746833 0.02342132802348 0.96961674937743 186.207 > 21 25 Re 0.01769028212151 0.43777954043507 0.33022667042976 186.207 > 25 26 Re 0.51769028212151 0.43777954043507 0.33022667042976 186.207 > 25 27 Re 0.01769028212151 0.43777954043507 0.83022667042976 186.207 > 25 28 Re 0.51769028212151 0.43777954043507 0.83022667042976 186.207 > 25 29 Re 0.48230971787849 0.93777954043507 0.41977332957024 186.207 > 29 30 Re 0.98230971787849 0.93777954043507 0.41977332957024 186.207 > 29 31 Re 0.48230971787849 0.93777954043507 0.91977332957024 186.207 > 29 32 Re 0.98230971787849 0.93777954043507 0.91977332957024 186.207 > 29 33 Re 0.01771751089568 0.35105951739431 0.22221596694528 186.207 > 33 34 Re 0.51771751089568 0.35105951739431 0.22221596694528 186.207 > 33 35 Re 0.01771751089568 0.35105951739431 0.72221596694528 186.207 > 33 36 Re 0.51771751089568 0.35105951739431 0.72221596694528 186.207 > 33 37 Re 0.01769028212151 0.06222045956493 0.08022667042976 186.207 > 37 38 Re 0.51769028212151 0.06222045956493 0.08022667042976 186.207 > 37 39 Re 0.01769028212151 0.06222045956493 0.58022667042976 186.207 > 37 40 Re 0.51769028212151 0.06222045956493 0.58022667042976 186.207 > 37 41 Re 0.01771751089568 0.14894048260569 0.47221596694528 186.207 > 41 42 Re 0.51771751089568 0.14894048260569 0.47221596694528 186.207 > 41 43 Re 0.01771751089568 0.14894048260569 0.97221596694528 186.207 > 41 44 Re 0.51771751089568 0.14894048260569 0.97221596694528 186.207 > 41 45 Re 0.48228248910432 0.85105951739431 0.02778403305472 186.207 > 45 46 Re 0.98228248910432 0.85105951739431 0.02778403305472 186.207 > 45 47 Re 0.48228248910432 0.85105951739431 0.52778403305472 186.207 > 45 48 Re 0.98228248910432 0.85105951739431 0.52778403305472 186.207 > 45 49 S 0.17591649569423 0.32994456121473 0.32651777200194 32.065 > 49 50 S 0.67591649569423 0.32994456121473 0.32651777200194 32.065 > 49 51 S 0.17591649569423 0.32994456121473 0.82651777200194 32.065 > 49 52 S 0.67591649569423 0.32994456121473 0.82651777200194 32.065 > 49 53 S 0.13601949422713 0.43673562023030 0.17221784743891 32.065 > 53 54 S 0.63601949422713 0.43673562023030 0.17221784743891 32.065 > 53 55 S 0.13601949422713 0.43673562023030 0.67221784743891 32.065 > 53 56 S 0.63601949422713 0.43673562023030 0.67221784743891 32.065 > 53 57 S 0.13601949422713 0.06326437976970 0.42221784743891 32.065 > 57 58 S 0.63601949422713 0.06326437976970 0.42221784743891 32.065 > 57 59 S 0.13601949422713 0.06326437976970 0.92221784743891 32.065 > 57 60 S 0.63601949422713 0.06326437976970 0.92221784743891 32.065 > 57 61 S 0.11135348611310 0.71389069562205 0.23064941464683 32.065 > 61 62 S 0.61135348611311 0.71389069562205 0.23064941464683 32.065 > 61 63 S 0.11135348611310 0.71389069562205 0.73064941464683 32.065 > 61 64 S 0.61135348611311 0.71389069562205 0.73064941464683 32.065 > 61 65 S 0.38864651388689 0.21389069562205 0.01935058535317 32.065 > 65 66 S 0.88864651388689 0.21389069562205 0.01935058535317 32.065 > 65 67 S 0.38864651388689 0.21389069562205 0.51935058535317 32.065 > 65 68 S 0.88864651388689 0.21389069562205 0.51935058535317 32.065 > 65 69 S 0.35635111653152 0.10074796806652 0.37287355429197 32.065 > 69 70 S 0.85635111653152 0.10074796806652 0.37287355429197 32.065 > 69 71 S 0.35635111653152 0.10074796806652 0.87287355429197 32.065 > 69 72 S 0.85635111653152 0.10074796806652 0.87287355429197 32.065 > 69 73 S 0.14364888346848 0.89925203193348 0.12712644570803 32.065 > 73 74 S 0.64364888346848 0.89925203193348 0.12712644570803 32.065 > 73 75 S 0.14364888346848 0.89925203193348 0.62712644570803 32.065 > 73 76 S 0.64364888346848 0.89925203193348 0.62712644570803 32.065 > 73 77 S 0.38864651388689 0.28610930437795 0.26935058535317 32.065 > 77 78 S 0.88864651388689 0.28610930437795 0.26935058535317 32.065 > 77 79 S 0.38864651388689 0.28610930437795 0.76935058535317 32.065 > 77 80 S 0.88864651388689 0.28610930437795 0.76935058535317 32.065 > 77 81 S 0.36398050577287 0.93673562023030 0.07778215256109 32.065 > 81 82 S 0.86398050577287 0.93673562023030 0.07778215256109 32.065 > 81 83 S 0.36398050577287 0.93673562023030 0.57778215256109 32.065 > 81 84 S 0.86398050577287 0.93673562023030 0.57778215256109 32.065 > 81 85 S 0.36398050577287 0.56326437976970 0.32778215256109 32.065 > 85 86 S 0.86398050577287 0.56326437976970 0.32778215256109 32.065 > 85 87 S 0.36398050577287 0.56326437976970 0.82778215256109 32.065 > 85 88 S 0.86398050577287 0.56326437976970 0.82778215256109 32.065 > 85 89 S 0.14364888346848 0.60074796806652 0.37712644570803 32.065 > 89 90 S 0.64364888346848 0.60074796806652 0.37712644570803 32.065 > 89 91 S 0.14364888346848 0.60074796806652 0.87712644570803 32.065 > 89 92 S 0.64364888346848 0.60074796806652 0.87712644570803 32.065 > 89 93 S 0.32408350430577 0.67005543878527 0.17348222799806 32.065 > 93 94 S 0.82408350430577 0.67005543878527 0.17348222799806 32.065 > 93 95 S 0.32408350430577 0.67005543878527 0.67348222799806 32.065 > 93 96 S 0.82408350430577 0.67005543878527 0.67348222799806 32.065 > 93 97 S 0.32408350430577 0.82994456121473 0.42348222799806 32.065 > 97 98 S 0.82408350430577 0.82994456121473 0.42348222799806 32.065 > 97 99 S 0.32408350430577 0.82994456121473 0.92348222799806 32.065 > 97 100 S 0.82408350430577 0.82994456121473 0.92348222799806 32.065 > 97 101 S 0.35635111653152 0.39925203193348 0.12287355429197 32.065 > 101 102 S 0.85635111653152 0.39925203193348 0.12287355429197 32.065 > 101 103 S 0.35635111653152 0.39925203193348 0.62287355429197 32.065 > 101 104 S 0.85635111653152 0.39925203193348 0.62287355429197 32.065 > 101 105 S 0.17591649569423 0.17005543878527 0.07651777200194 32.065 > 105 106 S 0.67591649569423 0.17005543878527 0.07651777200194 32.065 > 105 107 S 0.17591649569423 0.17005543878527 0.57651777200194 32.065 > 105 108 S 0.67591649569423 0.17005543878527 0.57651777200194 32.065 > 105 109 S 0.11135348611310 0.78610930437795 0.48064941464683 32.065 > 109 110 S 0.61135348611311 0.78610930437795 0.48064941464683 32.065 > 109 111 S 0.11135348611310 0.78610930437795 0.98064941464683 32.065 > 109 112 S 0.61135348611311 0.78610930437795 0.98064941464683 32.065 > 109 113 Br 0.05142559189648 0.36493230644546 0.44689134780015 79.904 > 113 114 Br 0.55142559189648 0.36493230644546 0.44689134780015 79.904 > 113 115 Br 0.05142559189648 0.36493230644546 0.94689134780015 79.904 > 113 116 Br 0.55142559189648 0.36493230644546 0.94689134780015 79.904 > 113 117 Br 0.05142559189648 0.13506769355454 0.19689134780015 79.904 > 117 118 Br 0.55142559189648 0.13506769355454 0.19689134780015 79.904 > 117 119 Br 0.05142559189648 0.13506769355454 0.69689134780015 79.904 > 117 120 Br 0.55142559189648 0.13506769355454 0.69689134780015 79.904 > 117 121 Br 0.44857440810352 0.63506769355454 0.05310865219985 79.904 > 121 122 Br 0.94857440810352 0.63506769355454 0.05310865219985 79.904 > 121 123 Br 0.44857440810352 0.63506769355454 0.55310865219985 79.904 > 121 124 Br 0.94857440810352 0.63506769355454 0.55310865219985 79.904 > 121 125 Br 0.44857440810352 0.86493230644546 0.30310865219985 79.904 > 125 126 Br 0.94857440810352 0.86493230644546 0.30310865219985 79.904 > 125 127 Br 0.44857440810352 0.86493230644546 0.80310865219985 79.904 > 125 128 Br 0.94857440810352 0.86493230644546 0.80310865219985 79.904 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.4995745 0.0000000 -0.2404774 0.0000000 6.8181340 0.0000000 -0.2405908 0.0000000 6.2767353-------------------------- Born effective charges -------------------------- 1 Re 0.6698668 0.0762766 -0.0383470 -0.1615699 0.2321799 0.4982326 -0.1580122 0.0359128 0.7238609 2 Re 0.4632980 -1.0228314 0.4696507 -0.0438358 0.2471296 -0.8334007 0.1448820 -0.4572096 1.1650028 3 Re 0.5161484 0.9309470 -0.1899144 0.0168752 1.0644645 0.0725459 -0.0315130 1.0992970 0.1413638 4 Re 0.6698668 0.0762766 -0.0383470 -0.1615699 0.2321799 0.4982326 -0.1580122 0.0359128 0.7238609 5 Re 0.6698668 -0.0762766 -0.0383470 0.1615699 0.2321799 -0.4982326 -0.1580122 -0.0359128 0.7238609 6 Re 0.6698668 -0.0762766 -0.0383470 0.1615699 0.2321799 -0.4982326 -0.1580122 -0.0359128 0.7238609 7 Re 0.4632980 -1.0228314 0.4696507 -0.0438358 0.2471296 -0.8334007 0.1448820 -0.4572096 1.1650028 8 Re 0.4632980 1.0228314 0.4696507 0.0438358 0.2471296 0.8334007 0.1448820 0.4572096 1.1650028 9 Re 0.5161484 0.9309470 -0.1899144 0.0168752 1.0644645 0.0725459 -0.0315130 1.0992970 0.1413638 10 Re 0.4632980 1.0228314 0.4696507 0.0438358 0.2471296 0.8334007 0.1448820 0.4572096 1.1650028 11 Re 0.5161484 -0.9309470 -0.1899144 -0.0168752 1.0644645 -0.0725459 -0.0315130 -1.0992970 0.1413638 12 Re 0.5161484 -0.9309470 -0.1899144 -0.0168752 1.0644645 -0.0725459 -0.0315130 -1.0992970 0.1413638 13 S -0.3796849 0.4404957 -0.2588090 0.1183174 -0.3029588 0.1309780 -0.1582349 0.1847268 -0.2007700 14 S -1.0516978 -0.1646192 -0.3065002 -0.0071971 0.1962097 -0.3722951 -0.0741828 -0.2654838 -0.5562492 15 S -1.0516978 0.1646192 -0.3065002 0.0071971 0.1962097 0.3722951 -0.0741828 0.2654838 -0.5562492 16 S -0.3369826 -0.4778279 0.1169595 -0.1541715 -0.4130371 0.0639278 -0.1240598 -0.0964740 -0.0341866 17 S -0.3369826 0.4778279 0.1169595 0.1541715 -0.4130371 -0.0639278 -0.1240598 0.0964740 -0.0341866 18 S -0.1328306 0.0162992 -0.0529260 -0.0824752 -0.0149445 0.0287170 -0.0129914 0.0157118 -0.4208642 19 S -0.1328306 0.0162992 -0.0529260 -0.0824752 -0.0149445 0.0287170 -0.0129914 0.0157118 -0.4208642 20 S -0.3369826 -0.4778279 0.1169595 -0.1541715 -0.4130371 0.0639278 -0.1240598 -0.0964740 -0.0341866 21 S -1.0516978 0.1646192 -0.3065002 0.0071971 0.1962097 0.3722951 -0.0741828 0.2654838 -0.5562492 22 S -1.0516978 -0.1646192 -0.3065002 -0.0071971 0.1962097 -0.3722951 -0.0741828 -0.2654838 -0.5562492 23 S -0.1328306 -0.0162992 -0.0529260 0.0824752 -0.0149445 -0.0287170 -0.0129914 -0.0157118 -0.4208642 24 S -0.3796849 0.4404957 -0.2588090 0.1183174 -0.3029588 0.1309780 -0.1582349 0.1847268 -0.2007700 25 S -0.3796849 -0.4404957 -0.2588090 -0.1183174 -0.3029588 -0.1309780 -0.1582349 -0.1847268 -0.2007700 26 S -0.1328306 -0.0162992 -0.0529260 0.0824752 -0.0149445 -0.0287170 -0.0129914 -0.0157118 -0.4208642 27 S -0.3796849 -0.4404957 -0.2588090 -0.1183174 -0.3029588 -0.1309780 -0.1582349 -0.1847268 -0.2007700 28 S -0.3369826 0.4778279 0.1169595 0.1541715 -0.4130371 -0.0639278 -0.1240598 0.0964740 -0.0341866 29 Br 0.2518828 -0.3296337 0.2598865 -0.4178690 -1.0090433 1.0849836 0.4141121 1.0783002 -0.8181575 30 Br 0.2518828 0.3296337 0.2598865 0.4178690 -1.0090433 -1.0849836 0.4141121 -1.0783002 -0.8181575 31 Br 0.2518828 -0.3296337 0.2598865 -0.4178690 -1.0090433 1.0849836 0.4141121 1.0783002 -0.8181575 32 Br 0.2518828 0.3296337 0.2598865 0.4178690 -1.0090433 -1.0849836 0.4141121 -1.0783002 -0.8181575----------------------------------------------------------------------------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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]Computing fc3[ 5, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]Computing fc3[ 53, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]Computing fc3[ 69, 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:23:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:23:51]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal 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 6.338558454161994 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -4.395909631188262 0.000000000000000 10.175406217956152Atomic positions (fractional): 1 Re 0.68844781493665 0.47657867197652 0.43923349875486 186.207 2 Re 0.96461943575698 0.56222045956493 0.33954665914048 186.207 3 Re 0.96456497820864 0.64894048260569 0.55556806610945 186.207 4 Re 0.31155218506335 0.52342132802348 0.56076650124514 186.207 5 Re 0.31155218506335 0.97657867197652 0.06076650124514 186.207 6 Re 0.68844781493665 0.02342132802348 0.93923349875486 186.207 7 Re 0.03538056424302 0.43777954043507 0.66045334085952 186.207 8 Re 0.96461943575698 0.93777954043507 0.83954665914048 186.207 9 Re 0.03543502179136 0.35105951739431 0.44443193389055 186.207 10 Re 0.03538056424302 0.06222045956493 0.16045334085951 186.207 11 Re 0.03543502179136 0.14894048260569 0.94443193389055 186.207 12 Re 0.96456497820864 0.85105951739431 0.05556806610945 186.207 13 S 0.35183299138846 0.32994456121473 0.65303554400388 32.065 14 S 0.27203898845427 0.43673562023030 0.34443569487782 32.065 15 S 0.27203898845427 0.06326437976970 0.84443569487782 32.065 16 S 0.22270697222621 0.71389069562205 0.46129882929365 32.065 17 S 0.77729302777379 0.21389069562205 0.03870117070635 32.065 18 S 0.71270223306304 0.10074796806652 0.74574710858395 32.065 19 S 0.28729776693696 0.89925203193348 0.25425289141605 32.065 20 S 0.77729302777379 0.28610930437795 0.53870117070635 32.065 21 S 0.72796101154573 0.93673562023030 0.15556430512218 32.065 22 S 0.72796101154573 0.56326437976970 0.65556430512218 32.065 23 S 0.28729776693696 0.60074796806652 0.75425289141605 32.065 24 S 0.64816700861154 0.67005543878527 0.34696445599612 32.065 25 S 0.64816700861154 0.82994456121473 0.84696445599612 32.065 26 S 0.71270223306304 0.39925203193348 0.24574710858395 32.065 27 S 0.35183299138846 0.17005543878527 0.15303554400388 32.065 28 S 0.22270697222621 0.78610930437795 0.96129882929365 32.065 29 Br 0.10285118379297 0.36493230644546 0.89378269560030 79.904 30 Br 0.10285118379297 0.13506769355454 0.39378269560030 79.904 31 Br 0.89714881620703 0.63506769355454 0.10621730439970 79.904 32 Br 0.89714881620703 0.86493230644546 0.60621730439970 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 12.677116908323988 0.000000000000000 0.000000000000000 b 0.000000000000000 11.373520740000000 0.000000000000000 c -8.791819262376524 0.000000000000000 20.350812435912303Atomic positions (fractional): 1 Re 0.34422390746833 0.47657867197652 0.21961674937743 186.207 > 1 2 Re 0.84422390746833 0.47657867197652 0.21961674937743 186.207 > 1 3 Re 0.34422390746833 0.47657867197652 0.71961674937743 186.207 > 1 4 Re 0.84422390746833 0.47657867197652 0.71961674937743 186.207 > 1 5 Re 0.48230971787849 0.56222045956493 0.16977332957024 186.207 > 5 6 Re 0.98230971787849 0.56222045956493 0.16977332957024 186.207 > 5 7 Re 0.48230971787849 0.56222045956493 0.66977332957024 186.207 > 5 8 Re 0.98230971787849 0.56222045956493 0.66977332957024 186.207 > 5 9 Re 0.48228248910432 0.64894048260569 0.27778403305472 186.207 > 9 10 Re 0.98228248910432 0.64894048260569 0.27778403305472 186.207 > 9 11 Re 0.48228248910432 0.64894048260569 0.77778403305472 186.207 > 9 12 Re 0.98228248910432 0.64894048260569 0.77778403305472 186.207 > 9 13 Re 0.15577609253167 0.52342132802348 0.28038325062257 186.207 > 13 14 Re 0.65577609253167 0.52342132802348 0.28038325062257 186.207 > 13 15 Re 0.15577609253167 0.52342132802348 0.78038325062257 186.207 > 13 16 Re 0.65577609253167 0.52342132802348 0.78038325062257 186.207 > 13 17 Re 0.15577609253167 0.97657867197652 0.03038325062257 186.207 > 17 18 Re 0.65577609253167 0.97657867197652 0.03038325062257 186.207 > 17 19 Re 0.15577609253167 0.97657867197652 0.53038325062257 186.207 > 17 20 Re 0.65577609253167 0.97657867197652 0.53038325062257 186.207 > 17 21 Re 0.34422390746833 0.02342132802348 0.46961674937743 186.207 > 21 22 Re 0.84422390746833 0.02342132802348 0.46961674937743 186.207 > 21 23 Re 0.34422390746833 0.02342132802348 0.96961674937743 186.207 > 21 24 Re 0.84422390746833 0.02342132802348 0.96961674937743 186.207 > 21 25 Re 0.01769028212151 0.43777954043507 0.33022667042976 186.207 > 25 26 Re 0.51769028212151 0.43777954043507 0.33022667042976 186.207 > 25 27 Re 0.01769028212151 0.43777954043507 0.83022667042976 186.207 > 25 28 Re 0.51769028212151 0.43777954043507 0.83022667042976 186.207 > 25 29 Re 0.48230971787849 0.93777954043507 0.41977332957024 186.207 > 29 30 Re 0.98230971787849 0.93777954043507 0.41977332957024 186.207 > 29 31 Re 0.48230971787849 0.93777954043507 0.91977332957024 186.207 > 29 32 Re 0.98230971787849 0.93777954043507 0.91977332957024 186.207 > 29 33 Re 0.01771751089568 0.35105951739431 0.22221596694528 186.207 > 33 34 Re 0.51771751089568 0.35105951739431 0.22221596694528 186.207 > 33 35 Re 0.01771751089568 0.35105951739431 0.72221596694528 186.207 > 33 36 Re 0.51771751089568 0.35105951739431 0.72221596694528 186.207 > 33 37 Re 0.01769028212151 0.06222045956493 0.08022667042976 186.207 > 37 38 Re 0.51769028212151 0.06222045956493 0.08022667042976 186.207 > 37 39 Re 0.01769028212151 0.06222045956493 0.58022667042976 186.207 > 37 40 Re 0.51769028212151 0.06222045956493 0.58022667042976 186.207 > 37 41 Re 0.01771751089568 0.14894048260569 0.47221596694528 186.207 > 41 42 Re 0.51771751089568 0.14894048260569 0.47221596694528 186.207 > 41 43 Re 0.01771751089568 0.14894048260569 0.97221596694528 186.207 > 41 44 Re 0.51771751089568 0.14894048260569 0.97221596694528 186.207 > 41 45 Re 0.48228248910432 0.85105951739431 0.02778403305472 186.207 > 45 46 Re 0.98228248910432 0.85105951739431 0.02778403305472 186.207 > 45 47 Re 0.48228248910432 0.85105951739431 0.52778403305472 186.207 > 45 48 Re 0.98228248910432 0.85105951739431 0.52778403305472 186.207 > 45 49 S 0.17591649569423 0.32994456121473 0.32651777200194 32.065 > 49 50 S 0.67591649569423 0.32994456121473 0.32651777200194 32.065 > 49 51 S 0.17591649569423 0.32994456121473 0.82651777200194 32.065 > 49 52 S 0.67591649569423 0.32994456121473 0.82651777200194 32.065 > 49 53 S 0.13601949422713 0.43673562023030 0.17221784743891 32.065 > 53 54 S 0.63601949422713 0.43673562023030 0.17221784743891 32.065 > 53 55 S 0.13601949422713 0.43673562023030 0.67221784743891 32.065 > 53 56 S 0.63601949422713 0.43673562023030 0.67221784743891 32.065 > 53 57 S 0.13601949422713 0.06326437976970 0.42221784743891 32.065 > 57 58 S 0.63601949422713 0.06326437976970 0.42221784743891 32.065 > 57 59 S 0.13601949422713 0.06326437976970 0.92221784743891 32.065 > 57 60 S 0.63601949422713 0.06326437976970 0.92221784743891 32.065 > 57 61 S 0.11135348611310 0.71389069562205 0.23064941464683 32.065 > 61 62 S 0.61135348611311 0.71389069562205 0.23064941464683 32.065 > 61 63 S 0.11135348611310 0.71389069562205 0.73064941464683 32.065 > 61 64 S 0.61135348611311 0.71389069562205 0.73064941464683 32.065 > 61 65 S 0.38864651388689 0.21389069562205 0.01935058535317 32.065 > 65 66 S 0.88864651388689 0.21389069562205 0.01935058535317 32.065 > 65 67 S 0.38864651388689 0.21389069562205 0.51935058535317 32.065 > 65 68 S 0.88864651388689 0.21389069562205 0.51935058535317 32.065 > 65 69 S 0.35635111653152 0.10074796806652 0.37287355429197 32.065 > 69 70 S 0.85635111653152 0.10074796806652 0.37287355429197 32.065 > 69 71 S 0.35635111653152 0.10074796806652 0.87287355429197 32.065 > 69 72 S 0.85635111653152 0.10074796806652 0.87287355429197 32.065 > 69 73 S 0.14364888346848 0.89925203193348 0.12712644570803 32.065 > 73 74 S 0.64364888346848 0.89925203193348 0.12712644570803 32.065 > 73 75 S 0.14364888346848 0.89925203193348 0.62712644570803 32.065 > 73 76 S 0.64364888346848 0.89925203193348 0.62712644570803 32.065 > 73 77 S 0.38864651388689 0.28610930437795 0.26935058535317 32.065 > 77 78 S 0.88864651388689 0.28610930437795 0.26935058535317 32.065 > 77 79 S 0.38864651388689 0.28610930437795 0.76935058535317 32.065 > 77 80 S 0.88864651388689 0.28610930437795 0.76935058535317 32.065 > 77 81 S 0.36398050577287 0.93673562023030 0.07778215256109 32.065 > 81 82 S 0.86398050577287 0.93673562023030 0.07778215256109 32.065 > 81 83 S 0.36398050577287 0.93673562023030 0.57778215256109 32.065 > 81 84 S 0.86398050577287 0.93673562023030 0.57778215256109 32.065 > 81 85 S 0.36398050577287 0.56326437976970 0.32778215256109 32.065 > 85 86 S 0.86398050577287 0.56326437976970 0.32778215256109 32.065 > 85 87 S 0.36398050577287 0.56326437976970 0.82778215256109 32.065 > 85 88 S 0.86398050577287 0.56326437976970 0.82778215256109 32.065 > 85 89 S 0.14364888346848 0.60074796806652 0.37712644570803 32.065 > 89 90 S 0.64364888346848 0.60074796806652 0.37712644570803 32.065 > 89 91 S 0.14364888346848 0.60074796806652 0.87712644570803 32.065 > 89 92 S 0.64364888346848 0.60074796806652 0.87712644570803 32.065 > 89 93 S 0.32408350430577 0.67005543878527 0.17348222799806 32.065 > 93 94 S 0.82408350430577 0.67005543878527 0.17348222799806 32.065 > 93 95 S 0.32408350430577 0.67005543878527 0.67348222799806 32.065 > 93 96 S 0.82408350430577 0.67005543878527 0.67348222799806 32.065 > 93 97 S 0.32408350430577 0.82994456121473 0.42348222799806 32.065 > 97 98 S 0.82408350430577 0.82994456121473 0.42348222799806 32.065 > 97 99 S 0.32408350430577 0.82994456121473 0.92348222799806 32.065 > 97 100 S 0.82408350430577 0.82994456121473 0.92348222799806 32.065 > 97 101 S 0.35635111653152 0.39925203193348 0.12287355429197 32.065 > 101 102 S 0.85635111653152 0.39925203193348 0.12287355429197 32.065 > 101 103 S 0.35635111653152 0.39925203193348 0.62287355429197 32.065 > 101 104 S 0.85635111653152 0.39925203193348 0.62287355429197 32.065 > 101 105 S 0.17591649569423 0.17005543878527 0.07651777200194 32.065 > 105 106 S 0.67591649569423 0.17005543878527 0.07651777200194 32.065 > 105 107 S 0.17591649569423 0.17005543878527 0.57651777200194 32.065 > 105 108 S 0.67591649569423 0.17005543878527 0.57651777200194 32.065 > 105 109 S 0.11135348611310 0.78610930437795 0.48064941464683 32.065 > 109 110 S 0.61135348611311 0.78610930437795 0.48064941464683 32.065 > 109 111 S 0.11135348611310 0.78610930437795 0.98064941464683 32.065 > 109 112 S 0.61135348611311 0.78610930437795 0.98064941464683 32.065 > 109 113 Br 0.05142559189648 0.36493230644546 0.44689134780015 79.904 > 113 114 Br 0.55142559189648 0.36493230644546 0.44689134780015 79.904 > 113 115 Br 0.05142559189648 0.36493230644546 0.94689134780015 79.904 > 113 116 Br 0.55142559189648 0.36493230644546 0.94689134780015 79.904 > 113 117 Br 0.05142559189648 0.13506769355454 0.19689134780015 79.904 > 117 118 Br 0.55142559189648 0.13506769355454 0.19689134780015 79.904 > 117 119 Br 0.05142559189648 0.13506769355454 0.69689134780015 79.904 > 117 120 Br 0.55142559189648 0.13506769355454 0.69689134780015 79.904 > 117 121 Br 0.44857440810352 0.63506769355454 0.05310865219985 79.904 > 121 122 Br 0.94857440810352 0.63506769355454 0.05310865219985 79.904 > 121 123 Br 0.44857440810352 0.63506769355454 0.55310865219985 79.904 > 121 124 Br 0.94857440810352 0.63506769355454 0.55310865219985 79.904 > 121 125 Br 0.44857440810352 0.86493230644546 0.30310865219985 79.904 > 125 126 Br 0.94857440810352 0.86493230644546 0.30310865219985 79.904 > 125 127 Br 0.44857440810352 0.86493230644546 0.80310865219985 79.904 > 125 128 Br 0.94857440810352 0.86493230644546 0.80310865219985 79.904 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.4995745 0.0000000 -0.2404774 0.0000000 6.8181340 0.0000000 -0.2405908 0.0000000 6.2767353-------------------------- Born effective charges -------------------------- 1 Re 0.6698668 0.0762766 -0.0383470 -0.1615699 0.2321799 0.4982326 -0.1580122 0.0359128 0.7238609 2 Re 0.4632980 -1.0228314 0.4696507 -0.0438358 0.2471296 -0.8334007 0.1448820 -0.4572096 1.1650028 3 Re 0.5161484 0.9309470 -0.1899144 0.0168752 1.0644645 0.0725459 -0.0315130 1.0992970 0.1413638 4 Re 0.6698668 0.0762766 -0.0383470 -0.1615699 0.2321799 0.4982326 -0.1580122 0.0359128 0.7238609 5 Re 0.6698668 -0.0762766 -0.0383470 0.1615699 0.2321799 -0.4982326 -0.1580122 -0.0359128 0.7238609 6 Re 0.6698668 -0.0762766 -0.0383470 0.1615699 0.2321799 -0.4982326 -0.1580122 -0.0359128 0.7238609 7 Re 0.4632980 -1.0228314 0.4696507 -0.0438358 0.2471296 -0.8334007 0.1448820 -0.4572096 1.1650028 8 Re 0.4632980 1.0228314 0.4696507 0.0438358 0.2471296 0.8334007 0.1448820 0.4572096 1.1650028 9 Re 0.5161484 0.9309470 -0.1899144 0.0168752 1.0644645 0.0725459 -0.0315130 1.0992970 0.1413638 10 Re 0.4632980 1.0228314 0.4696507 0.0438358 0.2471296 0.8334007 0.1448820 0.4572096 1.1650028 11 Re 0.5161484 -0.9309470 -0.1899144 -0.0168752 1.0644645 -0.0725459 -0.0315130 -1.0992970 0.1413638 12 Re 0.5161484 -0.9309470 -0.1899144 -0.0168752 1.0644645 -0.0725459 -0.0315130 -1.0992970 0.1413638 13 S -0.3796849 0.4404957 -0.2588090 0.1183174 -0.3029588 0.1309780 -0.1582349 0.1847268 -0.2007700 14 S -1.0516978 -0.1646192 -0.3065002 -0.0071971 0.1962097 -0.3722951 -0.0741828 -0.2654838 -0.5562492 15 S -1.0516978 0.1646192 -0.3065002 0.0071971 0.1962097 0.3722951 -0.0741828 0.2654838 -0.5562492 16 S -0.3369826 -0.4778279 0.1169595 -0.1541715 -0.4130371 0.0639278 -0.1240598 -0.0964740 -0.0341866 17 S -0.3369826 0.4778279 0.1169595 0.1541715 -0.4130371 -0.0639278 -0.1240598 0.0964740 -0.0341866 18 S -0.1328306 0.0162992 -0.0529260 -0.0824752 -0.0149445 0.0287170 -0.0129914 0.0157118 -0.4208642 19 S -0.1328306 0.0162992 -0.0529260 -0.0824752 -0.0149445 0.0287170 -0.0129914 0.0157118 -0.4208642 20 S -0.3369826 -0.4778279 0.1169595 -0.1541715 -0.4130371 0.0639278 -0.1240598 -0.0964740 -0.0341866 21 S -1.0516978 0.1646192 -0.3065002 0.0071971 0.1962097 0.3722951 -0.0741828 0.2654838 -0.5562492 22 S -1.0516978 -0.1646192 -0.3065002 -0.0071971 0.1962097 -0.3722951 -0.0741828 -0.2654838 -0.5562492 23 S -0.1328306 -0.0162992 -0.0529260 0.0824752 -0.0149445 -0.0287170 -0.0129914 -0.0157118 -0.4208642 24 S -0.3796849 0.4404957 -0.2588090 0.1183174 -0.3029588 0.1309780 -0.1582349 0.1847268 -0.2007700 25 S -0.3796849 -0.4404957 -0.2588090 -0.1183174 -0.3029588 -0.1309780 -0.1582349 -0.1847268 -0.2007700 26 S -0.1328306 -0.0162992 -0.0529260 0.0824752 -0.0149445 -0.0287170 -0.0129914 -0.0157118 -0.4208642 27 S -0.3796849 -0.4404957 -0.2588090 -0.1183174 -0.3029588 -0.1309780 -0.1582349 -0.1847268 -0.2007700 28 S -0.3369826 0.4778279 0.1169595 0.1541715 -0.4130371 -0.0639278 -0.1240598 0.0964740 -0.0341866 29 Br 0.2518828 -0.3296337 0.2598865 -0.4178690 -1.0090433 1.0849836 0.4141121 1.0783002 -0.8181575 30 Br 0.2518828 0.3296337 0.2598865 0.4178690 -1.0090433 -1.0849836 0.4141121 -1.0783002 -0.8181575 31 Br 0.2518828 -0.3296337 0.2598865 -0.4178690 -1.0090433 1.0849836 0.4141121 1.0783002 -0.8181575 32 Br 0.2518828 0.3296337 0.2598865 0.4178690 -1.0090433 -1.0849836 0.4141121 -1.0783002 -0.8181575----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 4 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 291, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/69) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.894 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 8.884 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 0.000) 0.000 12.002 ( 0.000 0.000 0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.393 ( 0.000 0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 12.557 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 12.731 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/69) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.234 ( 13.600 0.000 0.603) 13.613 0.287 ( 15.100 0.000 3.842) 15.581 0.728 ( 37.736 0.000 3.363) 37.886 1.058 ( 15.385 0.000 -5.645) 16.388 1.334 ( -7.742 0.000 -4.496) 8.953 1.483 ( 8.609 0.000 1.321) 8.710 1.552 ( 2.273 0.000 1.541) 2.746 1.587 ( 3.705 0.000 2.458) 4.446 1.632 ( 5.433 0.000 2.016) 5.795 1.713 ( -0.528 0.000 0.180) 0.558 1.929 ( 2.246 0.000 -0.774) 2.376 1.979 ( 2.649 0.000 -0.885) 2.793 2.625 ( -7.713 0.000 -0.579) 7.735 2.726 ( -4.320 0.000 0.202) 4.325 2.796 ( -0.394 0.000 -0.014) 0.394 2.922 ( 0.669 0.000 0.651) 0.933 3.619 ( 0.140 0.000 -0.037) 0.145 3.864 ( 0.784 0.000 -0.141) 0.796 3.925 ( -0.287 0.000 0.060) 0.293 4.044 ( 1.076 0.000 -1.250) 1.650 4.482 ( -0.358 0.000 0.646) 0.739 4.922 ( -3.746 0.000 0.395) 3.766 5.140 ( 0.638 0.000 0.499) 0.810 5.236 ( 2.645 0.000 0.121) 2.648 5.379 ( 1.928 0.000 -0.347) 1.959 5.403 ( -3.012 0.000 -1.211) 3.246 5.441 ( -3.523 0.000 -0.276) 3.534 5.455 ( -5.188 0.000 -0.224) 5.193 5.639 ( 3.032 0.000 2.811) 4.135 5.669 ( 0.349 0.000 -1.410) 1.453 5.675 ( -0.073 0.000 0.683) 0.687 5.940 ( 0.344 0.000 -0.487) 0.597 6.054 ( 0.241 0.000 -0.552) 0.602 6.294 ( 3.334 0.000 0.395) 3.357 6.297 ( 3.390 0.000 -0.343) 3.407 6.352 ( -2.159 0.000 1.070) 2.410 6.394 ( -9.592 0.000 -0.338) 9.598 6.435 ( -7.995 0.000 1.919) 8.222 6.481 ( 0.158 0.000 0.202) 0.257 6.512 ( -0.207 0.000 -0.410) 0.460 6.760 ( 7.519 0.000 1.692) 7.707 6.771 ( 9.024 0.000 0.095) 9.024 7.201 ( -3.160 0.000 1.061) 3.333 7.234 ( -1.909 0.000 -0.268) 1.928 7.292 ( -0.100 0.000 0.275) 0.292 7.385 ( 0.450 0.000 -0.176) 0.483 7.623 ( -3.163 0.000 -0.287) 3.176 7.680 ( -2.989 0.000 0.164) 2.993 7.911 ( -0.290 0.000 0.078) 0.300 7.957 ( -0.363 0.000 -0.025) 0.364 7.968 ( 0.652 0.000 -0.180) 0.677 8.012 ( -0.533 0.000 0.130) 0.548 8.324 ( -1.860 0.000 0.011) 1.861 8.366 ( 0.052 0.000 0.460) 0.463 8.372 ( 0.794 0.000 -0.895) 1.197 8.400 ( 1.495 0.000 0.121) 1.500 8.437 ( 0.971 0.000 0.867) 1.302 8.444 ( 1.949 0.000 -0.118) 1.953 8.447 ( 0.853 0.000 -0.142) 0.864 8.498 ( 0.104 0.000 -0.141) 0.175 8.541 ( 0.392 0.000 -0.010) 0.392 8.558 ( -0.320 0.000 -0.356) 0.479 8.619 ( -0.003 0.000 -0.015) 0.015 8.678 ( -0.037 0.000 -0.019) 0.042 8.695 ( 1.133 0.000 0.316) 1.176 8.702 ( 1.054 0.000 0.157) 1.065 8.779 ( -0.996 0.000 0.333) 1.051 8.793 ( -0.337 0.000 -0.260) 0.425 8.876 ( 0.511 0.000 -0.169) 0.539 8.885 ( 0.094 0.000 -0.056) 0.109 8.943 ( -1.407 0.000 -0.843) 1.640 8.978 ( -2.194 0.000 0.424) 2.235 9.012 ( 0.756 0.000 0.196) 0.781 9.050 ( -0.688 0.000 -0.239) 0.728 9.128 ( 4.808 0.000 0.312) 4.818 9.189 ( 5.644 0.000 -0.137) 5.646 9.343 ( -0.424 0.000 0.149) 0.450 9.405 ( -0.354 0.000 0.038) 0.356 9.418 ( -0.742 0.000 -0.093) 0.748 9.451 ( -0.977 0.000 0.014) 0.977 11.970 ( -0.324 0.000 -0.195) 0.378 11.991 ( -0.918 0.000 -0.102) 0.924 12.041 ( 1.062 0.000 0.218) 1.084 12.044 ( 1.220 0.000 -0.324) 1.262 12.202 ( -0.162 0.000 0.468) 0.496 12.268 ( -1.154 0.000 -0.790) 1.398 12.282 ( -0.063 0.000 -0.049) 0.079 12.335 ( 0.061 0.000 0.198) 0.207 12.347 ( -0.368 0.000 -1.288) 1.339 12.401 ( 0.350 0.000 0.730) 0.810 12.546 ( 0.291 0.000 1.302) 1.334 12.558 ( 0.231 0.000 -0.226) 0.323 12.701 ( -1.176 0.000 -0.626) 1.332 12.723 ( -0.783 0.000 -0.140) 0.796 12.991 ( 0.789 0.000 0.705) 1.058 13.128 ( 0.176 0.000 -0.352) 0.393======================= Grid point 2 (3/69) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 13.565 0.000 1.130) 13.612 0.590 ( 16.364 0.000 3.339) 16.701 1.161 ( -6.906 0.000 -4.369) 8.172 1.212 ( 8.597 0.000 -5.550) 10.233 1.325 ( 24.639 0.000 3.577) 24.897 1.614 ( 4.413 0.000 -1.145) 4.559 1.662 ( 1.920 0.000 3.468) 3.964 1.705 ( -0.229 0.000 0.745) 0.779 1.737 ( 4.376 0.000 3.458) 5.577 1.813 ( 24.317 0.000 -0.510) 24.322 1.967 ( 2.374 0.000 -0.686) 2.471 2.058 ( 8.421 0.000 -1.919) 8.637 2.436 ( -12.264 0.000 -0.750) 12.287 2.615 ( -7.869 0.000 0.826) 7.912 2.781 ( -1.976 0.000 -0.348) 2.006 2.927 ( -1.345 0.000 0.794) 1.562 3.620 ( 0.089 0.000 -0.238) 0.254 3.878 ( 0.744 0.000 -0.078) 0.748 3.927 ( 0.477 0.000 0.329) 0.580 4.052 ( 1.134 0.000 -1.971) 2.273 4.481 ( -0.438 0.000 0.946) 1.043 4.871 ( -1.818 0.000 0.412) 1.864 5.135 ( -2.537 0.000 0.558) 2.597 5.276 ( 0.329 0.000 0.281) 0.433 5.347 ( -1.749 0.000 -0.646) 1.864 5.347 ( -4.708 0.000 -0.151) 4.711 5.402 ( 0.309 0.000 -0.678) 0.745 5.417 ( 2.191 0.000 -0.534) 2.256 5.668 ( 0.933 0.000 -1.851) 2.073 5.682 ( 0.141 0.000 0.995) 1.005 5.706 ( 1.477 0.000 3.519) 3.816 5.943 ( 0.623 0.000 -0.803) 1.016 6.054 ( 0.385 0.000 -0.893) 0.972 6.213 ( -8.927 0.000 -0.480) 8.940 6.254 ( -8.224 0.000 1.487) 8.357 6.364 ( 4.199 0.000 -0.508) 4.230 6.382 ( 4.436 0.000 0.243) 4.442 6.387 ( 0.229 0.000 -0.170) 0.285 6.487 ( 0.300 0.000 0.266) 0.402 6.513 ( 0.636 0.000 -0.004) 0.636 6.887 ( 5.138 0.000 0.875) 5.212 6.901 ( 5.085 0.000 -0.279) 5.093 7.133 ( -4.768 0.000 0.974) 4.866 7.182 ( -2.839 0.000 -0.627) 2.907 7.297 ( 0.306 0.000 0.451) 0.544 7.393 ( 0.655 0.000 -0.300) 0.721 7.556 ( -3.929 0.000 -0.321) 3.943 7.610 ( -4.969 0.000 0.226) 4.975 7.907 ( -0.221 0.000 0.164) 0.275 7.948 ( -0.417 0.000 -0.196) 0.460 7.962 ( -1.360 0.000 -0.282) 1.388 7.994 ( -1.957 0.000 0.231) 1.971 8.298 ( -1.128 0.000 0.232) 1.152 8.355 ( -1.056 0.000 -0.249) 1.085 8.383 ( 1.052 0.000 -0.879) 1.371 8.431 ( 1.667 0.000 0.276) 1.690 8.448 ( 0.291 0.000 0.647) 0.710 8.476 ( 2.284 0.000 0.477) 2.334 8.498 ( 3.402 0.000 -0.052) 3.403 8.500 ( 0.300 0.000 -0.091) 0.314 8.551 ( 0.720 0.000 0.022) 0.720 8.553 ( 0.246 0.000 -0.707) 0.748 8.628 ( 0.911 0.000 0.314) 0.964 8.682 ( 0.523 0.000 -0.249) 0.579 8.716 ( 0.692 0.000 0.147) 0.708 8.727 ( 1.417 0.000 0.547) 1.519 8.762 ( -0.742 0.000 0.132) 0.753 8.786 ( -0.077 0.000 -0.232) 0.244 8.887 ( 0.482 0.000 -0.313) 0.575 8.889 ( 1.264 0.000 -0.114) 1.269 8.937 ( 0.779 0.000 -0.245) 0.816 8.951 ( -0.888 0.000 0.071) 0.891 9.027 ( 0.758 0.000 0.081) 0.762 9.050 ( 0.386 0.000 -0.136) 0.409 9.212 ( 4.257 0.000 0.170) 4.261 9.281 ( 4.643 0.000 -0.031) 4.643 9.334 ( -0.672 0.000 0.173) 0.694 9.392 ( -1.369 0.000 0.110) 1.374 9.404 ( -0.487 0.000 -0.240) 0.543 9.429 ( -1.291 0.000 -0.017) 1.291 11.964 ( -0.260 0.000 -0.173) 0.312 11.973 ( -0.898 0.000 -0.110) 0.905 12.064 ( 1.264 0.000 -0.227) 1.284 12.065 ( 1.364 0.000 0.240) 1.385 12.202 ( -0.356 0.000 0.650) 0.741 12.235 ( -1.577 0.000 -0.960) 1.846 12.277 ( -0.574 0.000 0.012) 0.574 12.329 ( -0.324 0.000 -1.197) 1.240 12.344 ( 0.681 0.000 0.413) 0.796 12.410 ( -0.092 0.000 1.010) 1.014 12.561 ( 0.400 0.000 -0.447) 0.600 12.561 ( 0.109 0.000 1.243) 1.248 12.666 ( -2.039 0.000 -1.057) 2.297 12.709 ( -0.469 0.000 -0.170) 0.499 13.016 ( 1.192 0.000 1.060) 1.595 13.127 ( 0.076 0.000 -0.593) 0.598======================= Grid point 3 (4/69) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( 7.566 0.000 2.388) 7.934 0.905 ( 16.629 0.000 2.441) 16.807 1.035 ( -2.248 0.000 -4.624) 5.142 1.324 ( 8.096 0.000 -3.825) 8.954 1.613 ( 6.525 0.000 1.180) 6.631 1.682 ( -1.415 0.000 2.600) 2.960 1.692 ( 5.836 0.000 -1.057) 5.931 1.736 ( 1.909 0.000 1.640) 2.517 1.837 ( 3.230 0.000 4.117) 5.233 1.952 ( -3.594 0.000 -2.413) 4.329 2.183 ( 5.626 0.000 -2.849) 6.306 2.260 ( 15.040 0.000 -2.691) 15.279 2.279 ( 6.881 0.000 2.691) 7.389 2.487 ( -6.982 0.000 1.006) 7.054 2.711 ( -5.536 0.000 0.061) 5.536 2.875 ( -5.110 0.000 0.323) 5.120 3.618 ( -0.125 0.000 -0.373) 0.394 3.887 ( 0.196 0.000 0.166) 0.257 3.947 ( 1.184 0.000 0.661) 1.356 4.052 ( 0.678 0.000 -1.999) 2.111 4.481 ( -0.291 0.000 0.815) 0.865 4.872 ( 1.377 0.000 0.096) 1.380 5.061 ( -5.222 0.000 0.256) 5.228 5.201 ( -5.563 0.000 -0.188) 5.566 5.353 ( 2.249 0.000 0.534) 2.312 5.355 ( 2.089 0.000 0.023) 2.089 5.440 ( 4.637 0.000 -0.571) 4.672 5.446 ( 1.392 0.000 -0.413) 1.452 5.671 ( 1.588 0.000 -3.536) 3.876 5.695 ( 0.419 0.000 0.863) 0.960 5.735 ( -1.843 0.000 4.674) 5.024 5.947 ( 0.463 0.000 -0.807) 0.930 6.047 ( -2.037 0.000 -0.774) 2.179 6.079 ( -4.055 0.000 -0.491) 4.085 6.131 ( -6.420 0.000 0.716) 6.460 6.403 ( 1.661 0.000 -0.396) 1.707 6.428 ( 3.219 0.000 -0.088) 3.220 6.450 ( 3.174 0.000 -0.195) 3.180 6.496 ( 0.470 0.000 0.207) 0.513 6.541 ( 2.218 0.000 0.557) 2.287 6.892 ( -5.642 0.000 0.297) 5.649 6.900 ( -5.056 0.000 -0.314) 5.065 7.119 ( 3.254 0.000 1.411) 3.546 7.179 ( 3.950 0.000 -1.023) 4.080 7.306 ( 0.333 0.000 0.416) 0.533 7.401 ( 0.469 0.000 -0.340) 0.580 7.482 ( -4.328 0.000 -0.492) 4.355 7.514 ( -6.204 0.000 0.350) 6.214 7.905 ( -0.333 0.000 0.181) 0.379 7.923 ( -2.402 0.000 -0.251) 2.415 7.941 ( -0.229 0.000 -0.241) 0.333 7.950 ( -2.642 0.000 0.063) 2.643 8.286 ( -0.566 0.000 0.202) 0.601 8.341 ( -0.145 0.000 -0.402) 0.427 8.392 ( 0.536 0.000 -0.451) 0.700 8.454 ( 0.444 0.000 0.160) 0.472 8.461 ( 0.711 0.000 0.602) 0.932 8.506 ( 0.300 0.000 0.047) 0.303 8.524 ( 1.917 0.000 1.139) 2.230 8.555 ( 3.191 0.000 -0.452) 3.222 8.558 ( 1.313 0.000 -1.214) 1.788 8.566 ( 0.870 0.000 0.159) 0.885 8.652 ( 1.349 0.000 0.492) 1.436 8.690 ( 0.521 0.000 -0.320) 0.612 8.720 ( -0.054 0.000 0.127) 0.138 8.736 ( -0.672 0.000 0.169) 0.693 8.777 ( 1.836 0.000 0.339) 1.867 8.785 ( 0.065 0.000 -0.298) 0.305 8.901 ( 1.354 0.000 -0.155) 1.363 8.922 ( 2.554 0.000 -0.123) 2.557 8.947 ( 0.271 0.000 -0.033) 0.273 8.955 ( 1.371 0.000 -0.134) 1.377 9.034 ( -0.256 0.000 0.048) 0.261 9.051 ( -0.486 0.000 -0.009) 0.486 9.272 ( 2.354 0.000 0.103) 2.356 9.318 ( -0.653 0.000 0.106) 0.661 9.347 ( 1.871 0.000 -0.006) 1.871 9.366 ( -1.266 0.000 -0.038) 1.266 9.397 ( -0.222 0.000 -0.136) 0.260 9.415 ( -0.021 0.000 0.093) 0.096 11.959 ( -0.604 0.000 -0.081) 0.609 11.959 ( -0.170 0.000 -0.086) 0.190 12.082 ( 0.975 0.000 -0.175) 0.991 12.089 ( 1.113 0.000 0.169) 1.126 12.200 ( -0.353 0.000 0.535) 0.641 12.203 ( -1.274 0.000 -0.714) 1.460 12.259 ( -1.246 0.000 -0.199) 1.262 12.325 ( 0.547 0.000 -0.666) 0.862 12.364 ( 1.228 0.000 0.422) 1.299 12.413 ( -0.536 0.000 1.065) 1.193 12.561 ( -0.996 0.000 0.692) 1.212 12.565 ( 0.408 0.000 -0.586) 0.714 12.619 ( -2.205 0.000 -1.056) 2.445 12.712 ( 0.722 0.000 0.194) 0.748 13.045 ( 1.032 0.000 0.917) 1.380 13.122 ( -0.158 0.000 -0.597) 0.618======================= Grid point 4 (5/69) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( -0.154 0.000 1.274) 1.283 1.023 ( 2.181 0.000 -2.101) 3.029 1.179 ( 10.997 0.000 0.989) 11.041 1.411 ( 3.363 0.000 -1.535) 3.697 1.670 ( 1.331 0.000 -0.322) 1.370 1.678 ( -1.815 0.000 4.475) 4.829 1.739 ( -3.490 0.000 -2.899) 4.537 1.770 ( 2.712 0.000 -0.223) 2.721 1.833 ( -2.630 0.000 -0.903) 2.781 1.900 ( 1.163 0.000 2.067) 2.372 2.155 ( -0.263 0.000 -0.511) 0.575 2.396 ( -2.741 0.000 0.594) 2.805 2.463 ( 7.758 0.000 -2.569) 8.172 2.529 ( 10.248 0.000 0.868) 10.284 2.617 ( -4.664 0.000 1.322) 4.848 2.770 ( -5.865 0.000 -0.261) 5.871 3.613 ( -0.120 0.000 -0.179) 0.216 3.889 ( 0.010 0.000 0.137) 0.138 3.970 ( 0.647 0.000 0.486) 0.809 4.047 ( 0.179 0.000 -0.996) 1.012 4.482 ( -0.087 0.000 0.323) 0.334 4.899 ( 1.160 0.000 -0.061) 1.161 4.991 ( -2.309 0.000 0.064) 2.310 5.128 ( -2.198 0.000 -0.094) 2.200 5.385 ( 0.879 0.000 0.167) 0.895 5.391 ( 1.251 0.000 0.308) 1.288 5.460 ( 0.467 0.000 -0.135) 0.486 5.547 ( 6.519 0.000 0.417) 6.532 5.656 ( -0.546 0.000 -4.641) 4.673 5.707 ( 0.341 0.000 0.354) 0.492 5.717 ( -3.191 0.000 4.350) 5.395 5.946 ( -0.026 0.000 -0.387) 0.388 5.977 ( -2.495 0.000 -0.187) 2.502 6.052 ( -2.601 0.000 0.216) 2.610 6.066 ( 0.258 0.000 -0.317) 0.409 6.428 ( 1.079 0.000 -0.282) 1.115 6.474 ( 1.686 0.000 0.106) 1.689 6.494 ( 1.765 0.000 -0.121) 1.770 6.507 ( 0.594 0.000 0.037) 0.595 6.588 ( 2.189 0.000 0.387) 2.223 6.780 ( -4.949 0.000 0.143) 4.951 6.786 ( -5.393 0.000 -0.234) 5.398 7.209 ( 4.149 0.000 0.985) 4.265 7.268 ( 5.635 0.000 -0.971) 5.718 7.317 ( 1.088 0.000 0.285) 1.125 7.392 ( -2.525 0.000 -0.692) 2.618 7.401 ( -6.839 0.000 0.535) 6.860 7.413 ( -1.081 0.000 -0.068) 1.084 7.889 ( -1.037 0.000 -0.115) 1.043 7.891 ( -0.956 0.000 0.009) 0.956 7.925 ( -0.326 0.000 0.041) 0.328 7.937 ( -0.058 0.000 -0.093) 0.109 8.280 ( -0.231 0.000 0.071) 0.241 8.340 ( 0.100 0.000 -0.135) 0.168 8.396 ( 0.151 0.000 -0.127) 0.197 8.457 ( 0.016 0.000 0.099) 0.100 8.473 ( 0.293 0.000 0.184) 0.346 8.510 ( 0.122 0.000 0.032) 0.126 8.544 ( 0.122 0.000 0.348) 0.368 8.580 ( 0.417 0.000 0.109) 0.431 8.584 ( 1.553 0.000 -0.335) 1.589 8.594 ( 1.341 0.000 -0.296) 1.373 8.675 ( 0.806 0.000 0.193) 0.829 8.695 ( 0.291 0.000 -0.122) 0.316 8.720 ( -0.150 0.000 0.194) 0.245 8.724 ( -0.600 0.000 -0.054) 0.602 8.782 ( -0.121 0.000 -0.217) 0.248 8.804 ( 0.758 0.000 0.198) 0.783 8.926 ( 1.042 0.000 0.014) 1.043 8.949 ( 0.349 0.000 -0.097) 0.363 8.976 ( 2.792 0.000 -0.019) 2.792 8.981 ( 1.747 0.000 -0.162) 1.755 9.017 ( -1.589 0.000 0.067) 1.590 9.029 ( -1.944 0.000 0.063) 1.945 9.294 ( 0.259 0.000 0.056) 0.265 9.307 ( -0.397 0.000 0.017) 0.397 9.354 ( -0.160 0.000 -0.068) 0.174 9.359 ( 0.012 0.000 0.011) 0.016 9.395 ( 0.015 0.000 -0.029) 0.032 9.427 ( 0.693 0.000 0.064) 0.696 11.951 ( -0.220 0.000 -0.029) 0.222 11.957 ( -0.052 0.000 -0.023) 0.056 12.094 ( 0.374 0.000 -0.070) 0.380 12.104 ( 0.451 0.000 0.065) 0.456 12.183 ( -0.507 0.000 -0.266) 0.573 12.199 ( -0.105 0.000 0.236) 0.258 12.239 ( -0.634 0.000 -0.170) 0.656 12.332 ( 0.382 0.000 -0.176) 0.420 12.388 ( 1.063 0.000 -0.020) 1.063 12.409 ( -0.631 0.000 0.767) 0.993 12.546 ( -0.678 0.000 0.175) 0.700 12.565 ( 0.127 0.000 -0.584) 0.598 12.582 ( -1.032 0.000 -0.234) 1.058 12.727 ( 0.547 0.000 0.185) 0.578 13.063 ( 0.403 0.000 0.359) 0.540 13.115 ( -0.134 0.000 -0.263) 0.295======================= Grid point 9 (6/69) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.292 ( 0.000 13.028 0.000) 13.028 0.476 ( 0.000 20.724 0.000) 20.724 0.505 ( 0.000 22.006 0.000) 22.006 0.793 ( 0.000 -8.321 0.000) 8.321 1.244 ( 0.000 -11.753 0.000) 11.753 1.335 ( 0.000 -12.455 0.000) 12.455 1.562 ( 0.000 2.231 0.000) 2.231 1.610 ( 0.000 5.733 0.000) 5.733 1.643 ( 0.000 5.943 0.000) 5.943 1.702 ( 0.000 0.076 0.000) 0.076 1.889 ( 0.000 -4.879 0.000) 4.879 1.908 ( 0.000 -1.329 0.000) 1.329 2.727 ( 0.000 2.299 0.000) 2.299 2.774 ( 0.000 1.308 0.000) 1.308 2.809 ( 0.000 0.381 0.000) 0.381 2.894 ( 0.000 -1.598 0.000) 1.598 3.625 ( 0.000 0.858 0.000) 0.858 3.773 ( 0.000 -5.762 0.000) 5.762 3.911 ( 0.000 -0.891 0.000) 0.891 3.994 ( 0.000 -3.442 0.000) 3.442 4.667 ( 0.000 14.335 0.000) 14.335 5.048 ( 0.000 7.106 0.000) 7.106 5.166 ( 0.000 2.864 0.000) 2.864 5.265 ( 0.000 3.501 0.000) 3.501 5.335 ( 0.000 -2.460 0.000) 2.460 5.372 ( 0.000 -9.376 0.000) 9.376 5.436 ( 0.000 -6.897 0.000) 6.897 5.452 ( 0.000 -3.693 0.000) 3.693 5.527 ( 0.000 -4.317 0.000) 4.317 5.534 ( 0.000 -1.957 0.000) 1.957 5.793 ( 0.000 4.078 0.000) 4.078 5.926 ( 0.000 -1.562 0.000) 1.562 6.186 ( 0.000 7.892 0.000) 7.892 6.263 ( 0.000 0.928 0.000) 0.928 6.264 ( 0.000 -0.192 0.000) 0.192 6.385 ( 0.000 2.010 0.000) 2.010 6.453 ( 0.000 -2.481 0.000) 2.481 6.479 ( 0.000 -1.489 0.000) 1.489 6.524 ( 0.000 0.799 0.000) 0.799 6.561 ( 0.000 -0.720 0.000) 0.720 6.620 ( 0.000 -0.270 0.000) 0.270 6.630 ( 0.000 -0.551 0.000) 0.551 7.221 ( 0.000 0.540 0.000) 0.540 7.251 ( 0.000 -0.521 0.000) 0.521 7.327 ( 0.000 0.915 0.000) 0.915 7.373 ( 0.000 -0.690 0.000) 0.690 7.656 ( 0.000 0.691 0.000) 0.691 7.700 ( 0.000 -0.889 0.000) 0.889 7.918 ( 0.000 0.435 0.000) 0.435 7.951 ( 0.000 -0.756 0.000) 0.756 7.968 ( 0.000 0.827 0.000) 0.827 8.009 ( 0.000 -0.649 0.000) 0.649 8.340 ( 0.000 -0.305 0.000) 0.305 8.353 ( 0.000 -0.831 0.000) 0.831 8.378 ( 0.000 0.993 0.000) 0.993 8.393 ( 0.000 0.523 0.000) 0.523 8.414 ( 0.000 0.261 0.000) 0.261 8.436 ( 0.000 -0.457 0.000) 0.457 8.452 ( 0.000 1.284 0.000) 1.284 8.504 ( 0.000 0.498 0.000) 0.498 8.533 ( 0.000 -0.464 0.000) 0.464 8.535 ( 0.000 -2.023 0.000) 2.023 8.640 ( 0.000 1.205 0.000) 1.205 8.677 ( 0.000 -0.402 0.000) 0.402 8.689 ( 0.000 0.451 0.000) 0.451 8.694 ( 0.000 0.381 0.000) 0.381 8.780 ( 0.000 -0.492 0.000) 0.492 8.784 ( 0.000 -0.909 0.000) 0.909 8.874 ( 0.000 0.218 0.000) 0.218 8.883 ( 0.000 -0.081 0.000) 0.081 8.995 ( 0.000 0.352 0.000) 0.352 8.996 ( 0.000 0.014 0.000) 0.014 9.003 ( 0.000 0.812 0.000) 0.812 9.056 ( 0.000 -0.957 0.000) 0.957 9.097 ( 0.000 0.118 0.000) 0.118 9.099 ( 0.000 -0.032 0.000) 0.032 9.358 ( 0.000 0.996 0.000) 0.996 9.406 ( 0.000 -0.663 0.000) 0.663 9.438 ( 0.000 0.087 0.000) 0.087 9.452 ( 0.000 -0.317 0.000) 0.317 11.979 ( 0.000 0.316 0.000) 0.316 11.997 ( 0.000 -0.368 0.000) 0.368 12.013 ( 0.000 0.238 0.000) 0.238 12.027 ( 0.000 -0.241 0.000) 0.241 12.214 ( 0.000 1.093 0.000) 1.093 12.273 ( 0.000 -0.845 0.000) 0.845 12.285 ( 0.000 0.245 0.000) 0.245 12.312 ( 0.000 -0.806 0.000) 0.806 12.342 ( 0.000 0.485 0.000) 0.485 12.375 ( 0.000 -1.117 0.000) 1.117 12.560 ( 0.000 1.923 0.000) 1.923 12.570 ( 0.000 0.870 0.000) 0.870 12.708 ( 0.000 -1.604 0.000) 1.604 12.710 ( 0.000 -1.076 0.000) 1.076 13.011 ( 0.000 2.349 0.000) 2.349 13.112 ( 0.000 -1.451 0.000) 1.451======================= Grid point 10 (7/69) =======================q-point: ( 0.11 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( 10.914 14.739 -7.713) 19.896 0.552 ( 2.732 17.144 11.292) 20.710 0.819 ( 32.596 8.262 0.679) 33.634 0.964 ( 14.669 -7.205 -3.965) 16.817 1.232 ( -3.299 -9.146 1.427) 9.827 1.374 ( 10.337 -9.613 -2.819) 14.395 1.577 ( 2.260 1.723 -1.714) 3.319 1.643 ( 2.460 3.415 1.865) 4.603 1.674 ( 2.497 1.658 0.057) 2.998 1.709 ( 0.915 3.647 2.324) 4.420 1.910 ( 2.198 -5.312 -0.119) 5.750 1.931 ( 2.640 -1.079 -0.325) 2.870 2.662 ( -6.817 2.704 -0.874) 7.386 2.732 ( -5.208 0.113 0.110) 5.211 2.810 ( 0.464 1.480 -0.095) 1.554 2.905 ( 0.689 -1.533 0.733) 1.834 3.626 ( 0.090 0.862 0.034) 0.867 3.777 ( 0.293 -5.814 0.235) 5.826 3.909 ( -0.245 -0.799 0.315) 0.893 3.996 ( 0.590 -3.629 -0.706) 3.744 4.668 ( 0.342 14.434 -0.527) 14.448 5.008 ( -4.000 7.016 0.962) 8.133 5.175 ( 0.612 2.639 0.233) 2.719 5.284 ( 1.870 2.830 -0.856) 3.499 5.337 ( -0.656 -5.200 -3.028) 6.053 5.356 ( 1.999 -2.471 -1.279) 3.426 5.416 ( -2.828 -6.644 3.178) 7.889 5.444 ( -3.873 -1.556 0.325) 4.186 5.482 ( -5.026 -6.402 3.389) 8.817 5.538 ( 2.712 -5.098 -2.165) 6.167 5.789 ( 0.286 4.849 -0.070) 4.858 5.927 ( 0.229 -1.533 -0.415) 1.605 6.188 ( 0.266 8.164 -0.245) 8.172 6.296 ( 3.474 -0.117 -0.241) 3.484 6.298 ( 3.267 0.481 0.190) 3.308 6.363 ( -4.581 0.872 0.726) 4.719 6.398 ( -8.992 0.032 0.359) 8.999 6.428 ( -4.397 0.219 0.523) 4.434 6.455 ( 0.063 -2.337 0.174) 2.345 6.498 ( -0.529 -1.311 -0.228) 1.432 6.753 ( 8.576 -0.201 0.627) 8.601 6.766 ( 8.985 -0.461 0.114) 8.998 7.201 ( -2.630 0.306 0.372) 2.674 7.230 ( -2.325 -0.540 -0.192) 2.395 7.316 ( -0.685 1.553 0.259) 1.716 7.376 ( 0.253 -0.817 -0.049) 0.857 7.628 ( -2.949 0.564 -0.161) 3.007 7.671 ( -3.092 -0.857 0.052) 3.208 7.916 ( -0.223 0.478 0.030) 0.529 7.948 ( -0.257 -0.678 -0.083) 0.729 7.975 ( 0.433 0.619 -0.100) 0.762 8.006 ( -0.391 -0.514 0.083) 0.651 8.327 ( -1.272 0.266 0.038) 1.300 8.356 ( -0.134 -0.903 0.287) 0.957 8.379 ( 0.696 0.864 -0.489) 1.212 8.407 ( 1.274 0.282 0.077) 1.307 8.432 ( 0.367 -0.313 0.226) 0.533 8.440 ( 1.742 -0.273 -0.018) 1.764 8.464 ( 1.213 1.197 0.047) 1.705 8.505 ( 0.208 0.658 0.034) 0.691 8.529 ( 0.291 -1.306 -0.863) 1.592 8.542 ( 0.309 -0.838 0.746) 1.164 8.636 ( -0.207 1.122 -0.194) 1.157 8.675 ( -0.129 -0.421 -0.055) 0.443 8.698 ( 1.119 0.381 -0.125) 1.189 8.708 ( 1.064 0.317 0.365) 1.168 8.775 ( -0.787 -0.354 0.249) 0.898 8.781 ( -0.223 -0.841 -0.241) 0.903 8.878 ( 0.481 0.219 -0.086) 0.536 8.886 ( 0.188 -0.001 0.051) 0.195 8.949 ( -1.921 0.515 -0.541) 2.061 8.974 ( -2.350 -0.401 0.375) 2.413 9.016 ( 0.716 0.374 0.137) 0.819 9.042 ( -0.215 -0.611 -0.148) 0.664 9.139 ( 4.832 0.902 0.133) 4.917 9.181 ( 5.498 -0.661 -0.132) 5.539 9.355 ( -0.406 0.961 0.094) 1.048 9.400 ( -0.516 -0.568 0.008) 0.767 9.425 ( -1.010 0.395 -0.139) 1.093 9.445 ( -0.875 -0.434 -0.024) 0.977 11.973 ( -0.422 0.222 -0.158) 0.502 11.986 ( -0.818 -0.306 0.024) 0.874 12.037 ( 1.668 -0.232 -0.142) 1.690 12.039 ( 1.164 -0.137 0.156) 1.182 12.213 ( -0.311 0.949 0.409) 1.079 12.261 ( -1.056 -0.637 -0.392) 1.294 12.285 ( 0.012 0.298 -0.192) 0.355 12.319 ( 0.442 -1.350 -0.535) 1.518 12.343 ( 0.079 0.443 0.157) 0.477 12.383 ( 0.326 -1.273 0.778) 1.527 12.564 ( 0.783 1.417 -1.156) 1.990 12.576 ( 0.173 1.312 1.275) 1.837 12.688 ( -1.156 -1.151 -1.372) 2.132 12.705 ( -1.196 -1.359 1.114) 2.126 13.019 ( 0.634 2.158 0.374) 2.280 13.113 ( 0.229 -1.384 -0.280) 1.431======================= Grid point 11 (8/69) =======================q-point: ( 0.22 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( 10.652 11.116 -1.684) 15.487 0.730 ( 9.984 10.084 5.584) 15.250 1.108 ( 4.172 -4.331 -2.373) 6.465 1.177 ( 1.349 -3.307 -2.817) 4.549 1.343 ( 21.837 1.855 2.158) 22.021 1.594 ( 6.012 -6.614 -1.359) 9.041 1.610 ( 4.019 -1.400 -1.623) 4.555 1.687 ( 1.690 -1.933 -2.210) 3.387 1.753 ( 6.482 5.636 3.935) 9.448 1.846 ( 16.267 2.155 2.304) 16.570 1.968 ( 3.376 -2.609 0.319) 4.278 1.999 ( 7.400 -2.615 -0.830) 7.893 2.498 ( -9.858 4.181 -1.372) 10.796 2.612 ( -7.957 -0.581 0.245) 7.982 2.803 ( -1.729 2.013 -0.197) 2.661 2.911 ( -1.391 -1.547 0.838) 2.243 3.627 ( 0.001 0.857 -0.113) 0.865 3.784 ( 0.113 -6.113 0.516) 6.136 3.912 ( 0.323 -0.747 0.607) 1.015 4.002 ( 0.884 -3.783 -1.208) 4.068 4.672 ( 0.573 14.705 -0.603) 14.728 4.956 ( -2.080 6.991 0.967) 7.358 5.168 ( -2.447 2.553 0.246) 3.544 5.269 ( -2.248 -3.241 -1.569) 4.244 5.329 ( -1.010 -1.473 -1.815) 2.547 5.356 ( -1.649 1.072 0.549) 2.042 5.386 ( -0.104 0.189 -1.237) 1.256 5.393 ( 1.846 -1.786 0.192) 2.576 5.454 ( -1.856 -14.748 4.264) 15.464 5.574 ( 1.822 -5.200 -0.015) 5.510 5.802 ( 1.103 4.329 -0.243) 4.474 5.929 ( 0.529 -1.445 -0.726) 1.701 6.182 ( -1.977 6.129 -0.207) 6.444 6.221 ( -7.683 0.945 -0.344) 7.749 6.259 ( -6.759 1.485 1.042) 6.998 6.366 ( 4.185 0.107 -0.170) 4.190 6.377 ( 3.718 -0.183 0.576) 3.767 6.411 ( 1.041 1.824 -0.486) 2.155 6.461 ( 0.318 -2.415 0.275) 2.452 6.499 ( 0.701 -1.313 -0.084) 1.491 6.887 ( 5.450 0.050 0.572) 5.480 6.898 ( 5.249 -0.267 -0.202) 5.259 7.136 ( -4.409 0.374 0.597) 4.465 7.172 ( -3.201 -0.811 -0.445) 3.332 7.314 ( -0.012 1.370 0.506) 1.461 7.381 ( 0.365 -1.060 -0.002) 1.121 7.563 ( -3.917 0.596 -0.355) 3.978 7.601 ( -4.713 -0.772 -0.004) 4.775 7.913 ( -0.201 0.494 0.077) 0.539 7.942 ( -0.342 -0.554 -0.196) 0.680 7.967 ( -1.486 0.410 -0.193) 1.553 7.989 ( -1.888 -0.394 0.169) 1.936 8.306 ( -0.993 0.657 0.171) 1.202 8.345 ( -0.861 -0.809 -0.192) 1.197 8.393 ( 0.978 0.831 -0.409) 1.347 8.432 ( 1.271 -0.230 0.207) 1.308 8.442 ( 0.898 -0.023 0.345) 0.962 8.478 ( 1.854 -0.993 -0.008) 2.103 8.494 ( 1.969 1.047 0.208) 2.240 8.516 ( 1.305 0.868 0.121) 1.572 8.534 ( 0.931 -0.928 -0.639) 1.461 8.556 ( 0.714 -0.328 0.370) 0.868 8.638 ( 0.640 0.807 -0.083) 1.033 8.676 ( 0.376 -0.609 -0.301) 0.777 8.718 ( 0.893 0.310 -0.048) 0.946 8.731 ( 1.026 0.149 0.475) 1.140 8.762 ( -0.478 -0.046 0.121) 0.495 8.777 ( 0.225 -0.657 -0.212) 0.726 8.889 ( 0.612 0.173 -0.271) 0.692 8.892 ( 0.952 0.171 0.107) 0.973 8.936 ( 0.364 -0.003 -0.167) 0.400 8.948 ( -0.627 -0.317 0.120) 0.713 9.031 ( 0.737 0.292 0.052) 0.795 9.047 ( 0.483 -0.283 -0.101) 0.569 9.223 ( 4.328 0.949 0.073) 4.432 9.272 ( 4.607 -0.808 -0.042) 4.677 9.346 ( -0.665 0.935 0.114) 1.153 9.389 ( -0.913 -0.457 0.091) 1.025 9.404 ( -1.070 0.163 -0.202) 1.101 9.424 ( -1.306 -0.433 -0.024) 1.376 11.965 ( -0.348 0.105 -0.152) 0.394 11.972 ( -0.771 -0.146 -0.090) 0.790 12.063 ( 1.387 -0.054 -0.152) 1.396 12.064 ( 1.406 -0.073 0.171) 1.418 12.209 ( -0.572 0.590 0.539) 0.983 12.234 ( -1.458 -0.187 -0.557) 1.572 12.280 ( -0.507 0.311 -0.191) 0.625 12.315 ( -0.045 -1.030 -0.982) 1.424 12.350 ( 0.564 0.509 0.468) 0.893 12.394 ( 0.085 -1.246 1.036) 1.623 12.568 ( 0.712 1.105 -1.325) 1.867 12.591 ( 0.072 1.725 1.416) 2.233 12.651 ( -1.751 -1.118 -1.282) 2.442 12.691 ( -0.992 -1.487 0.774) 1.948 13.037 ( 0.964 1.677 0.626) 2.033 13.114 ( 0.200 -1.172 -0.457) 1.274======================= Grid point 12 (9/69) =======================q-point: ( 0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( 6.257 7.743 1.833) 10.123 0.972 ( 13.476 4.105 3.053) 14.414 1.098 ( 1.109 5.324 -3.030) 6.226 1.289 ( 9.856 -2.666 -2.411) 10.491 1.547 ( 1.624 -4.251 0.801) 4.620 1.627 ( 0.459 -2.924 1.264) 3.218 1.638 ( -0.314 -4.715 0.372) 4.740 1.714 ( 4.033 -4.784 -5.350) 8.232 1.868 ( 3.464 5.600 3.969) 7.688 1.996 ( -0.789 2.058 0.451) 2.250 2.175 ( 10.601 -0.034 -0.052) 10.601 2.229 ( 17.514 -1.704 1.802) 17.689 2.365 ( 0.628 4.689 -2.638) 5.417 2.482 ( -5.964 -0.636 0.025) 5.998 2.738 ( -5.437 2.366 0.135) 5.931 2.857 ( -5.249 -1.649 0.452) 5.521 3.624 ( -0.182 0.880 -0.229) 0.927 3.787 ( -0.254 -6.370 0.697) 6.413 3.929 ( 0.910 -0.992 0.664) 1.501 4.007 ( 0.746 -3.530 -1.346) 3.851 4.677 ( 0.352 15.004 -0.150) 15.009 4.956 ( 1.159 6.881 0.318) 6.985 5.091 ( -5.254 2.528 0.025) 5.831 5.185 ( -5.329 -1.532 -0.307) 5.553 5.328 ( 3.783 -3.755 -2.089) 5.725 5.378 ( 1.156 -2.711 1.304) 3.223 5.402 ( 1.874 2.863 -0.575) 3.470 5.431 ( 2.114 -1.471 0.948) 2.745 5.461 ( 0.430 -14.750 0.386) 14.761 5.596 ( 0.038 -4.852 1.274) 5.016 5.815 ( 0.433 4.091 -0.381) 4.132 5.933 ( 0.521 -1.312 -0.759) 1.603 6.074 ( -6.419 0.965 -0.194) 6.494 6.117 ( -5.796 -0.454 0.412) 5.828 6.216 ( -0.096 8.516 -0.032) 8.517 6.423 ( 1.712 1.505 0.348) 2.306 6.431 ( 3.219 0.232 0.071) 3.228 6.448 ( 2.835 -0.195 -0.746) 2.938 6.471 ( 0.763 -2.029 0.217) 2.179 6.525 ( 2.196 -1.402 0.245) 2.617 6.893 ( -5.559 0.088 0.206) 5.564 6.899 ( -5.142 -0.104 -0.227) 5.148 7.125 ( 3.430 0.523 0.958) 3.600 7.168 ( 3.879 -0.983 -0.752) 4.072 7.320 ( 0.133 1.151 0.616) 1.313 7.387 ( 0.151 -1.225 0.231) 1.255 7.487 ( -4.455 0.428 -0.644) 4.521 7.509 ( -5.622 -0.394 -0.145) 5.637 7.909 ( -0.482 0.375 0.081) 0.616 7.927 ( -2.393 0.337 -0.201) 2.425 7.934 ( -0.497 -0.503 -0.132) 0.719 7.947 ( -2.266 -0.281 -0.046) 2.284 8.295 ( -0.408 0.791 0.145) 0.902 8.335 ( -0.080 -0.591 -0.215) 0.634 8.403 ( 0.496 0.979 -0.198) 1.115 8.448 ( 0.368 -0.536 0.404) 0.765 8.463 ( 0.960 0.289 0.287) 1.043 8.495 ( 0.479 -0.847 -0.173) 0.989 8.530 ( 1.454 0.454 0.629) 1.648 8.542 ( 1.103 -0.451 -0.411) 1.261 8.562 ( 2.566 0.208 0.087) 2.575 8.576 ( 1.788 0.294 -0.216) 1.825 8.654 ( 1.093 0.266 0.010) 1.125 8.681 ( 0.504 -0.671 -0.416) 0.936 8.724 ( -0.066 0.241 0.135) 0.284 8.735 ( -0.587 -0.165 0.125) 0.622 8.777 ( 1.498 0.070 0.308) 1.531 8.785 ( 0.632 -0.102 -0.240) 0.684 8.903 ( 1.328 0.201 -0.212) 1.360 8.920 ( 1.968 -0.284 -0.096) 1.990 8.944 ( 0.796 0.029 0.010) 0.796 8.956 ( 1.191 -0.111 0.065) 1.198 9.037 ( -0.261 0.247 0.018) 0.360 9.049 ( -0.429 -0.186 -0.031) 0.469 9.284 ( 2.291 0.931 0.042) 2.473 9.322 ( 0.101 0.006 0.050) 0.113 9.346 ( 1.345 0.188 -0.003) 1.358 9.370 ( -0.987 0.230 0.064) 1.015 9.390 ( -0.384 -0.472 -0.147) 0.627 9.407 ( -0.289 -0.616 0.073) 0.684 11.958 ( -0.357 0.005 -0.085) 0.367 11.960 ( -0.384 0.005 -0.077) 0.392 12.083 ( 1.023 0.077 -0.127) 1.034 12.088 ( 1.117 -0.090 0.114) 1.126 12.202 ( -0.608 0.206 0.244) 0.687 12.207 ( -1.138 0.198 -0.246) 1.181 12.263 ( -1.061 0.425 -0.315) 1.185 12.310 ( 0.162 -1.206 -0.651) 1.380 12.369 ( 1.135 0.424 0.481) 1.303 12.402 ( -0.042 -0.830 0.958) 1.268 12.565 ( -0.250 0.780 -0.851) 1.181 12.594 ( -0.573 2.004 0.946) 2.289 12.610 ( -1.720 -0.740 -1.182) 2.215 12.691 ( 0.478 -1.714 0.510) 1.851 13.058 ( 0.838 1.137 0.594) 1.532 13.112 ( 0.001 -0.840 -0.441) 0.949======================= Grid point 13 (10/69) =======================q-point: ( 0.44 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.865 ( 1.067 8.756 1.400) 8.931 1.115 ( 1.948 7.681 -1.741) 8.114 1.228 ( 12.599 1.780 1.333) 12.794 1.421 ( 3.934 0.373 -0.245) 3.960 1.489 ( -5.884 -7.650 -0.913) 9.694 1.622 ( -1.016 -6.289 0.014) 6.370 1.639 ( -0.699 -4.311 1.864) 4.748 1.733 ( 2.121 -7.594 -3.659) 8.692 1.933 ( 0.980 6.132 2.250) 6.605 1.965 ( -1.454 6.118 -0.003) 6.288 2.224 ( 0.365 3.429 0.202) 3.454 2.362 ( -2.334 -2.928 0.776) 3.824 2.494 ( 9.113 2.348 -2.259) 9.678 2.538 ( 9.993 0.488 0.141) 10.006 2.636 ( -5.976 1.814 1.172) 6.354 2.748 ( -6.469 -1.931 -0.092) 6.752 3.619 ( -0.129 0.945 -0.114) 0.961 3.787 ( -0.146 -6.480 0.341) 6.491 3.947 ( 0.496 -1.367 0.361) 1.499 4.008 ( 0.258 -3.177 -0.682) 3.260 4.681 ( 0.106 15.151 0.051) 15.151 4.981 ( 0.870 6.414 0.097) 6.473 5.021 ( -2.076 2.802 -0.172) 3.491 5.114 ( -2.169 -1.313 -0.114) 2.538 5.381 ( 2.672 -2.727 -1.063) 3.963 5.397 ( -0.282 -4.645 1.300) 4.832 5.423 ( 0.674 1.992 -0.192) 2.112 5.467 ( -0.054 -12.837 0.914) 12.869 5.499 ( 4.967 -3.740 -1.814) 6.477 5.589 ( -2.172 -4.011 1.578) 4.827 5.812 ( -0.298 4.566 -0.253) 4.582 5.934 ( 0.062 -1.212 -0.382) 1.273 5.992 ( -2.509 1.132 -0.064) 2.753 6.043 ( -2.418 -0.739 0.198) 2.537 6.218 ( 0.149 8.989 -0.041) 8.990 6.448 ( 0.647 0.957 -0.060) 1.157 6.476 ( 1.381 -0.035 0.097) 1.385 6.485 ( 1.748 -0.930 0.173) 1.987 6.494 ( 1.348 -0.278 -0.308) 1.410 6.568 ( 2.061 -1.698 0.192) 2.677 6.781 ( -4.980 0.075 0.103) 4.982 6.785 ( -5.304 -0.080 -0.151) 5.307 7.213 ( 4.197 0.426 0.619) 4.263 7.256 ( 5.465 -1.040 -0.749) 5.613 7.328 ( 0.549 0.954 0.654) 1.281 7.383 ( -2.454 -1.125 1.274) 2.985 7.398 ( -4.184 0.402 -0.909) 4.301 7.415 ( -3.119 -0.076 -0.823) 3.227 7.890 ( -0.950 0.147 -0.006) 0.962 7.893 ( -1.186 0.158 -0.081) 1.199 7.923 ( -0.178 -0.093 0.036) 0.204 7.933 ( -0.101 -0.361 -0.133) 0.398 8.292 ( -0.131 0.977 0.058) 0.987 8.336 ( 0.122 -0.503 -0.039) 0.519 8.408 ( 0.120 1.058 -0.050) 1.066 8.454 ( 0.054 -0.409 0.189) 0.453 8.476 ( 0.333 0.257 0.130) 0.441 8.498 ( 0.080 -0.805 -0.105) 0.816 8.544 ( 0.164 0.043 0.126) 0.211 8.557 ( 0.521 -0.943 -0.026) 1.078 8.602 ( 1.419 0.672 0.418) 1.624 8.608 ( 1.428 0.789 -0.437) 1.689 8.668 ( 0.400 -0.436 -0.076) 0.597 8.685 ( 0.198 -0.760 -0.294) 0.838 8.723 ( -0.093 0.212 0.182) 0.294 8.726 ( -0.355 0.121 0.101) 0.388 8.786 ( 0.050 0.349 -0.149) 0.382 8.802 ( 0.636 -0.209 0.142) 0.684 8.926 ( 0.950 0.032 -0.058) 0.952 8.941 ( 0.489 -0.586 -0.177) 0.784 8.977 ( 2.414 0.137 0.116) 2.421 8.983 ( 1.865 0.032 0.007) 1.865 9.020 ( -1.553 0.218 0.008) 1.569 9.028 ( -1.846 -0.096 -0.011) 1.848 9.302 ( 0.135 0.631 0.004) 0.645 9.313 ( -0.440 0.398 0.028) 0.594 9.359 ( 0.153 0.108 -0.023) 0.189 9.363 ( -0.006 0.809 0.006) 0.809 9.387 ( -0.003 -0.674 -0.017) 0.674 9.416 ( 0.603 -0.982 0.053) 1.154 11.952 ( -0.183 0.092 -0.028) 0.206 11.956 ( -0.073 -0.050 -0.024) 0.092 12.095 ( 0.388 0.139 -0.053) 0.415 12.103 ( 0.442 -0.127 0.040) 0.461 12.188 ( -0.456 0.382 -0.181) 0.622 12.198 ( -0.233 -0.042 0.199) 0.309 12.245 ( -0.518 0.635 -0.184) 0.840 12.309 ( 0.089 -1.720 -0.190) 1.732 12.391 ( 0.930 0.261 0.090) 0.970 12.406 ( -0.228 -0.266 0.553) 0.655 12.551 ( -0.517 0.463 -0.173) 0.716 12.577 ( -0.987 -0.445 -0.323) 1.130 12.594 ( -0.003 2.272 -0.037) 2.272 12.705 ( 0.458 -1.892 0.212) 1.958 13.072 ( 0.329 0.793 0.244) 0.893 13.109 ( -0.052 -0.555 -0.188) 0.588======================= Grid point 18 (11/69) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( 0.000 -11.728 0.000) 11.728 0.566 ( 0.000 11.728 0.000) 11.728 0.856 ( 0.000 -5.923 0.000) 5.923 0.856 ( 0.000 5.923 0.000) 5.923 1.026 ( 0.000 -7.532 0.000) 7.532 1.026 ( 0.000 7.532 0.000) 7.532 1.621 ( 0.000 -2.886 0.000) 2.886 1.621 ( 0.000 2.886 0.000) 2.886 1.757 ( 0.000 -6.682 0.000) 6.682 1.757 ( 0.000 6.682 0.000) 6.682 1.825 ( 0.000 -6.098 0.000) 6.098 1.825 ( 0.000 6.098 0.000) 6.098 2.772 ( 0.000 -1.375 0.000) 1.375 2.772 ( 0.000 1.375 0.000) 1.375 2.847 ( 0.000 -2.490 0.000) 2.490 2.847 ( 0.000 2.490 0.000) 2.490 3.668 ( 0.000 -3.363 0.000) 3.363 3.668 ( 0.000 3.363 0.000) 3.363 3.922 ( 0.000 -2.251 0.000) 2.251 3.922 ( 0.000 2.251 0.000) 2.251 5.025 ( 0.000 -16.725 0.000) 16.725 5.025 ( 0.000 16.725 0.000) 16.725 5.233 ( 0.000 -7.925 0.000) 7.925 5.233 ( 0.000 7.925 0.000) 7.925 5.272 ( 0.000 -5.012 0.000) 5.012 5.272 ( 0.000 5.012 0.000) 5.012 5.361 ( 0.000 -4.345 0.000) 4.345 5.361 ( 0.000 4.345 0.000) 4.345 5.509 ( 0.000 -0.490 0.000) 0.490 5.509 ( 0.000 0.490 0.000) 0.490 5.874 ( 0.000 -3.113 0.000) 3.113 5.874 ( 0.000 3.113 0.000) 3.113 6.257 ( 0.000 -0.508 0.000) 0.508 6.257 ( 0.000 0.508 0.000) 0.508 6.363 ( 0.000 -5.706 0.000) 5.706 6.363 ( 0.000 5.706 0.000) 5.706 6.436 ( 0.000 -2.356 0.000) 2.356 6.436 ( 0.000 2.356 0.000) 2.356 6.542 ( 0.000 -0.880 0.000) 0.880 6.542 ( 0.000 0.880 0.000) 0.880 6.620 ( 0.000 -0.278 0.000) 0.278 6.620 ( 0.000 0.278 0.000) 0.278 7.236 ( 0.000 -0.774 0.000) 0.774 7.236 ( 0.000 0.774 0.000) 0.774 7.352 ( 0.000 -1.179 0.000) 1.179 7.352 ( 0.000 1.179 0.000) 1.179 7.676 ( 0.000 -1.103 0.000) 1.103 7.676 ( 0.000 1.103 0.000) 1.103 7.933 ( 0.000 -0.833 0.000) 0.833 7.933 ( 0.000 0.833 0.000) 0.833 7.990 ( 0.000 -1.018 0.000) 1.018 7.990 ( 0.000 1.018 0.000) 1.018 8.340 ( 0.000 -0.317 0.000) 0.317 8.340 ( 0.000 0.317 0.000) 0.317 8.396 ( 0.000 -0.419 0.000) 0.419 8.396 ( 0.000 0.419 0.000) 0.419 8.424 ( 0.000 -0.626 0.000) 0.626 8.424 ( 0.000 0.626 0.000) 0.626 8.488 ( 0.000 -1.942 0.000) 1.942 8.488 ( 0.000 1.942 0.000) 1.942 8.519 ( 0.000 -0.719 0.000) 0.719 8.519 ( 0.000 0.719 0.000) 0.719 8.664 ( 0.000 -0.857 0.000) 0.857 8.664 ( 0.000 0.857 0.000) 0.857 8.698 ( 0.000 -0.163 0.000) 0.163 8.698 ( 0.000 0.163 0.000) 0.163 8.772 ( 0.000 -0.026 0.000) 0.026 8.772 ( 0.000 0.026 0.000) 0.026 8.880 ( 0.000 -0.231 0.000) 0.231 8.880 ( 0.000 0.231 0.000) 0.231 8.996 ( 0.000 -0.032 0.000) 0.032 8.996 ( 0.000 0.032 0.000) 0.032 9.030 ( 0.000 -1.301 0.000) 1.301 9.030 ( 0.000 1.301 0.000) 1.301 9.098 ( 0.000 -0.014 0.000) 0.014 9.098 ( 0.000 0.014 0.000) 0.014 9.384 ( 0.000 -1.253 0.000) 1.253 9.384 ( 0.000 1.253 0.000) 1.253 9.443 ( 0.000 -0.380 0.000) 0.380 9.443 ( 0.000 0.380 0.000) 0.380 11.988 ( 0.000 -0.471 0.000) 0.471 11.988 ( 0.000 0.471 0.000) 0.471 12.020 ( 0.000 -0.346 0.000) 0.346 12.020 ( 0.000 0.346 0.000) 0.346 12.245 ( 0.000 -1.547 0.000) 1.547 12.245 ( 0.000 1.547 0.000) 1.547 12.294 ( 0.000 -0.638 0.000) 0.638 12.294 ( 0.000 0.638 0.000) 0.638 12.355 ( 0.000 -0.740 0.000) 0.740 12.355 ( 0.000 0.740 0.000) 0.740 12.586 ( 0.000 -0.049 0.000) 0.049 12.586 ( 0.000 0.049 0.000) 0.049 12.688 ( 0.000 -0.322 0.000) 0.322 12.688 ( 0.000 0.322 0.000) 0.322 13.067 ( 0.000 -2.470 0.000) 2.470 13.067 ( 0.000 2.470 0.000) 2.470======================= Grid point 20 (12/69) =======================q-point: ( 0.11 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 10.604 -8.779 -3.405) 14.181 0.747 ( 10.604 8.779 -3.405) 14.181 0.933 ( 5.765 -11.157 7.269) 14.511 0.933 ( 5.765 11.157 7.269) 14.511 1.109 ( 14.937 -11.165 -3.599) 18.993 1.109 ( 14.937 11.165 -3.599) 18.993 1.627 ( 1.461 -2.599 -2.046) 3.616 1.627 ( 1.461 2.599 -2.046) 3.616 1.768 ( 1.197 -6.047 1.196) 6.279 1.768 ( 1.197 6.047 1.196) 6.279 1.856 ( 2.978 -5.392 0.714) 6.201 1.856 ( 2.978 5.392 0.714) 6.201 2.715 ( -5.805 -1.732 -0.800) 6.111 2.715 ( -5.805 1.732 -0.800) 6.111 2.859 ( 0.728 -2.525 0.561) 2.687 2.859 ( 0.728 2.525 0.561) 2.687 3.670 ( 0.031 -3.431 0.365) 3.450 3.670 ( 0.031 3.431 0.365) 3.450 3.922 ( 0.026 -2.318 0.006) 2.319 3.922 ( 0.026 2.318 0.006) 2.319 5.025 ( 1.400 -16.363 -3.065) 16.706 5.025 ( 1.400 16.363 -3.065) 16.706 5.195 ( -5.284 -8.842 4.227) 11.135 5.195 ( -5.284 8.842 4.227) 11.135 5.278 ( 1.401 -3.724 -0.667) 4.034 5.278 ( 1.401 3.724 -0.667) 4.034 5.391 ( 1.877 -4.087 -0.769) 4.563 5.391 ( 1.877 4.087 -0.769) 4.563 5.466 ( -3.719 -1.092 0.196) 3.881 5.466 ( -3.719 1.092 0.196) 3.881 5.875 ( 0.330 -3.098 -0.310) 3.131 5.875 ( 0.330 3.098 -0.310) 3.131 6.289 ( 3.044 -0.747 -0.151) 3.138 6.289 ( 3.044 0.747 -0.151) 3.138 6.359 ( -1.843 -4.126 0.196) 4.523 6.359 ( -1.843 4.126 0.196) 4.523 6.392 ( -5.357 -0.684 0.329) 5.410 6.392 ( -5.357 0.684 0.329) 5.410 6.460 ( -1.486 -1.916 0.108) 2.427 6.460 ( -1.486 1.916 0.108) 2.427 6.755 ( 8.988 -0.396 0.098) 8.998 6.755 ( 8.988 0.396 0.098) 8.998 7.214 ( -2.548 -0.781 -0.008) 2.665 7.214 ( -2.548 0.781 -0.008) 2.665 7.350 ( -0.220 -1.446 0.156) 1.471 7.350 ( -0.220 1.446 0.156) 1.471 7.647 ( -3.016 -1.107 -0.081) 3.213 7.647 ( -3.016 1.107 -0.081) 3.213 7.931 ( -0.160 -0.813 -0.057) 0.831 7.931 ( -0.160 0.813 -0.057) 0.831 7.992 ( -0.014 -0.786 -0.010) 0.786 7.992 ( -0.014 0.786 -0.010) 0.786 8.337 ( -0.487 -0.710 0.151) 0.875 8.337 ( -0.487 0.710 0.151) 0.875 8.400 ( 0.598 -0.842 -0.064) 1.035 8.400 ( 0.598 0.842 -0.064) 1.035 8.432 ( 1.015 -0.338 -0.036) 1.071 8.432 ( 1.015 0.338 -0.036) 1.071 8.495 ( 0.936 -1.546 -0.450) 1.862 8.495 ( 0.936 1.546 -0.450) 1.862 8.524 ( 0.358 -0.910 0.522) 1.108 8.524 ( 0.358 0.910 0.522) 1.108 8.659 ( -0.237 -0.936 -0.196) 0.985 8.659 ( -0.237 0.936 -0.196) 0.985 8.708 ( 1.092 -0.339 -0.054) 1.144 8.708 ( 1.092 0.339 -0.054) 1.144 8.769 ( -0.392 -0.065 0.086) 0.407 8.769 ( -0.392 0.065 0.086) 0.407 8.884 ( 0.377 -0.200 0.038) 0.429 8.884 ( 0.377 0.200 0.038) 0.429 8.962 ( -2.435 -0.605 0.045) 2.510 8.962 ( -2.435 0.605 0.045) 2.510 9.028 ( 0.415 -0.650 0.004) 0.771 9.028 ( 0.415 0.650 0.004) 0.771 9.162 ( 5.138 -1.053 -0.074) 5.245 9.162 ( 5.138 1.053 -0.074) 5.245 9.380 ( -0.444 -1.191 0.014) 1.271 9.380 ( -0.444 1.191 0.014) 1.271 9.434 ( -0.934 -0.470 -0.064) 1.047 9.434 ( -0.934 0.470 -0.064) 1.047 11.979 ( -0.651 -0.320 -0.050) 0.727 11.979 ( -0.651 0.320 -0.050) 0.727 12.036 ( 1.436 -0.093 0.017) 1.439 12.036 ( 1.436 0.093 0.017) 1.439 12.239 ( -0.704 -1.283 0.162) 1.473 12.239 ( -0.704 1.283 0.162) 1.473 12.296 ( 0.253 -0.759 -0.371) 0.882 12.296 ( 0.253 0.759 -0.371) 0.882 12.358 ( 0.130 -0.925 0.447) 1.035 12.358 ( 0.130 0.925 0.447) 1.035 12.591 ( 0.815 -0.581 -0.745) 1.247 12.591 ( 0.815 0.581 -0.745) 1.247 12.677 ( -1.483 -0.738 0.640) 1.776 12.677 ( -1.483 0.738 0.640) 1.776 13.071 ( 0.392 -2.327 -0.048) 2.360 13.071 ( 0.392 2.327 -0.048) 2.360======================= Grid point 22 (13/69) =======================q-point: ( 0.22 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 5.441 -4.762 -0.267) 7.235 0.848 ( 5.441 4.762 -0.267) 7.235 1.066 ( 6.716 -4.420 2.562) 8.438 1.066 ( 6.716 4.420 2.562) 8.438 1.428 ( 14.298 -6.129 -1.549) 15.633 1.428 ( 14.298 6.129 -1.549) 15.633 1.636 ( 1.693 -2.292 -3.388) 4.427 1.636 ( 1.693 2.292 -3.388) 4.427 1.864 ( 9.508 -3.905 2.714) 10.631 1.864 ( 9.508 3.905 2.714) 10.631 1.935 ( 6.397 -3.920 0.614) 7.528 1.935 ( 6.397 3.920 0.614) 7.528 2.577 ( -8.240 -2.674 -1.124) 8.736 2.577 ( -8.240 2.674 -1.124) 8.736 2.861 ( -1.516 -2.804 0.512) 3.228 2.861 ( -1.516 2.804 0.512) 3.228 3.673 ( -0.180 -3.581 0.550) 3.627 3.673 ( -0.180 3.581 0.550) 3.627 3.926 ( 0.448 -2.357 -0.014) 2.400 3.926 ( 0.448 2.357 -0.014) 2.400 5.030 ( 2.431 -15.263 -4.628) 16.134 5.030 ( 2.431 15.263 -4.628) 16.134 5.148 ( -3.579 -8.340 5.018) 10.370 5.148 ( -3.579 8.340 5.018) 10.370 5.268 ( -3.691 -3.271 -0.719) 4.984 5.268 ( -3.691 3.271 -0.719) 4.984 5.370 ( -0.802 -0.507 0.617) 1.131 5.370 ( -0.802 0.507 0.617) 1.131 5.462 ( 2.000 -4.883 -0.233) 5.282 5.462 ( 2.000 4.883 -0.233) 5.282 5.881 ( 0.737 -2.858 -0.567) 3.005 5.881 ( 0.737 2.858 -0.567) 3.005 6.225 ( -8.058 -0.626 0.145) 8.084 6.225 ( -8.058 0.626 0.145) 8.084 6.360 ( 2.414 -2.526 0.087) 3.495 6.360 ( 2.414 2.526 0.087) 3.495 6.384 ( 1.709 -2.763 0.463) 3.282 6.384 ( 1.709 2.763 0.463) 3.282 6.459 ( 0.868 -2.153 -0.282) 2.338 6.459 ( 0.868 2.153 -0.282) 2.338 6.891 ( 5.560 -0.291 0.078) 5.568 6.891 ( 5.560 0.291 0.078) 5.568 7.151 ( -3.838 -0.945 0.004) 3.953 7.151 ( -3.838 0.945 0.004) 3.953 7.349 ( -0.078 -1.695 0.424) 1.749 7.349 ( -0.078 1.695 0.424) 1.749 7.581 ( -4.183 -0.934 -0.317) 4.298 7.581 ( -4.183 0.934 -0.317) 4.298 7.927 ( -0.225 -0.741 -0.098) 0.780 7.927 ( -0.225 0.741 -0.098) 0.780 7.978 ( -1.719 -0.572 0.001) 1.812 7.978 ( -1.719 0.572 0.001) 1.812 8.325 ( -0.789 -0.987 0.003) 1.263 8.325 ( -0.789 0.987 0.003) 1.263 8.415 ( 0.869 -1.066 0.199) 1.390 8.415 ( 0.869 1.066 0.199) 1.390 8.455 ( 1.461 -0.927 -0.095) 1.733 8.455 ( 1.461 0.927 -0.095) 1.733 8.514 ( 1.672 -0.831 -0.479) 1.927 8.514 ( 1.672 0.831 -0.479) 1.927 8.539 ( 0.926 -1.074 0.640) 1.556 8.539 ( 0.926 1.074 0.640) 1.556 8.658 ( 0.368 -0.936 -0.345) 1.064 8.658 ( 0.368 0.936 -0.345) 1.064 8.728 ( 0.804 -0.420 -0.060) 0.909 8.728 ( 0.804 0.420 -0.060) 0.909 8.764 ( 0.159 -0.382 0.113) 0.429 8.764 ( 0.159 0.382 0.113) 0.429 8.893 ( 0.715 -0.127 0.013) 0.727 8.893 ( 0.715 0.127 0.013) 0.727 8.939 ( -0.201 -0.342 0.051) 0.400 8.939 ( -0.201 0.342 0.051) 0.400 9.039 ( 0.646 -0.405 -0.022) 0.763 9.039 ( 0.646 0.405 -0.022) 0.763 9.249 ( 4.481 -1.227 -0.034) 4.646 9.249 ( 4.481 1.227 -0.034) 4.646 9.370 ( -0.668 -1.144 0.029) 1.325 9.370 ( -0.668 1.144 0.029) 1.325 9.413 ( -1.353 -0.521 -0.056) 1.451 9.413 ( -1.353 0.521 -0.056) 1.451 11.968 ( -0.546 -0.171 -0.105) 0.582 11.968 ( -0.546 0.171 -0.105) 0.582 12.063 ( 1.460 -0.042 0.011) 1.461 12.063 ( 1.460 0.042 0.011) 1.461 12.224 ( -1.066 -0.704 0.159) 1.287 12.224 ( -1.066 0.704 0.159) 1.287 12.293 ( -0.195 -0.884 -0.632) 1.104 12.293 ( -0.195 0.884 -0.632) 1.104 12.367 ( 0.389 -1.062 0.745) 1.354 12.367 ( 0.389 1.062 0.745) 1.354 12.599 ( 0.951 -1.365 -1.624) 2.325 12.599 ( 0.951 1.365 -1.624) 2.325 12.652 ( -1.916 -1.679 1.456) 2.934 12.652 ( -1.916 1.679 1.456) 2.934 13.079 ( 0.535 -1.916 -0.039) 1.990 13.079 ( 0.535 1.916 -0.039) 1.990======================= Grid point 24 (14/69) =======================q-point: ( 0.33 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( 6.699 -5.798 2.107) 9.107 0.962 ( 6.699 5.798 2.107) 9.107 1.225 ( 9.462 -4.536 -0.292) 10.497 1.225 ( 9.462 4.536 -0.292) 10.497 1.509 ( -0.995 -3.152 -0.112) 3.307 1.509 ( -0.995 3.152 -0.112) 3.307 1.631 ( 0.615 -2.323 -3.549) 4.286 1.631 ( 0.615 2.323 -3.549) 4.286 1.984 ( 3.107 -3.568 1.654) 5.012 1.984 ( 3.107 3.568 1.654) 5.012 2.190 ( 14.908 -1.493 2.075) 15.126 2.190 ( 14.908 1.493 2.075) 15.126 2.447 ( -3.168 -2.670 -2.129) 4.658 2.447 ( -3.168 2.670 -2.129) 4.658 2.803 ( -5.386 -3.076 0.446) 6.219 2.803 ( -5.386 3.076 0.446) 6.219 3.672 ( -0.342 -3.730 0.507) 3.780 3.672 ( -0.342 3.730 0.507) 3.780 3.936 ( 0.692 -2.077 -0.102) 2.192 3.936 ( 0.692 2.077 -0.102) 2.192 5.038 ( 1.710 -14.260 -2.953) 14.663 5.038 ( 1.710 14.260 -2.953) 14.663 5.131 ( -3.964 -4.313 3.128) 6.641 5.131 ( -3.964 4.313 3.128) 6.641 5.193 ( -0.812 -3.960 -1.059) 4.178 5.193 ( -0.812 3.960 -1.059) 4.178 5.392 ( 1.361 -1.392 1.485) 2.448 5.392 ( 1.361 1.392 1.485) 2.448 5.493 ( 1.632 -4.555 -0.418) 4.857 5.493 ( 1.632 4.555 -0.418) 4.857 5.890 ( 0.608 -2.659 -0.625) 2.798 5.890 ( 0.608 2.659 -0.625) 2.798 6.098 ( -6.233 -1.092 0.178) 6.331 6.098 ( -6.233 1.092 0.178) 6.331 6.377 ( 0.480 -5.648 0.010) 5.668 6.377 ( 0.480 5.648 0.010) 5.668 6.437 ( 2.824 -0.167 0.684) 2.911 6.437 ( 2.824 0.167 0.684) 2.911 6.484 ( 2.235 -2.129 -0.585) 3.142 6.484 ( 2.235 2.129 -0.585) 3.142 6.896 ( -5.351 -0.136 -0.013) 5.353 6.896 ( -5.351 0.136 -0.013) 5.353 7.143 ( 3.704 -1.093 0.015) 3.862 7.143 ( 3.704 1.093 0.015) 3.862 7.353 ( -0.114 -1.705 0.778) 1.878 7.353 ( -0.114 1.705 0.778) 1.878 7.498 ( -4.812 -0.554 -0.690) 4.893 7.498 ( -4.812 0.554 -0.690) 4.893 7.920 ( -0.769 -0.596 -0.070) 0.975 7.920 ( -0.769 0.596 -0.070) 0.975 7.938 ( -2.066 -0.512 -0.101) 2.131 7.938 ( -2.066 0.512 -0.101) 2.131 8.316 ( -0.144 -1.007 0.014) 1.018 8.316 ( -0.144 1.007 0.014) 1.018 8.429 ( 0.443 -1.168 0.342) 1.296 8.429 ( 0.443 1.168 0.342) 1.296 8.475 ( 0.869 -0.815 -0.167) 1.203 8.475 ( 0.869 0.815 -0.167) 1.203 8.537 ( 0.868 -0.156 -0.036) 0.882 8.537 ( 0.868 0.156 -0.036) 0.882 8.572 ( 2.378 -0.587 0.301) 2.467 8.572 ( 2.378 0.587 0.301) 2.467 8.665 ( 0.706 -0.680 -0.503) 1.102 8.665 ( 0.706 0.680 -0.503) 1.102 8.730 ( -0.299 -0.278 0.105) 0.422 8.730 ( -0.299 0.278 0.105) 0.422 8.781 ( 1.171 -0.219 0.060) 1.193 8.781 ( 1.171 0.219 0.060) 1.193 8.911 ( 1.341 -0.452 -0.194) 1.428 8.911 ( 1.341 0.452 -0.194) 1.428 8.950 ( 1.168 -0.347 0.174) 1.231 8.950 ( 1.168 0.347 0.174) 1.231 9.043 ( -0.319 -0.302 -0.032) 0.440 9.043 ( -0.319 0.302 -0.032) 0.440 9.308 ( 1.852 -1.076 -0.019) 2.142 9.308 ( 1.852 1.076 -0.019) 2.142 9.362 ( 0.001 -0.951 0.052) 0.952 9.362 ( 0.001 0.951 0.052) 0.952 9.392 ( -0.808 -0.635 -0.011) 1.028 9.392 ( -0.808 0.635 -0.011) 1.028 11.959 ( -0.355 -0.048 -0.079) 0.367 11.959 ( -0.355 0.048 -0.079) 0.367 12.086 ( 1.095 -0.122 -0.010) 1.101 12.086 ( 1.095 0.122 -0.010) 1.101 12.207 ( -0.931 -0.199 0.104) 0.957 12.207 ( -0.931 0.199 0.104) 0.957 12.281 ( -0.547 -1.213 -0.543) 1.437 12.281 ( -0.547 1.213 -0.543) 1.437 12.383 ( 0.740 -0.799 0.674) 1.281 12.383 ( 0.740 0.799 0.674) 1.281 12.588 ( -0.946 -1.158 -1.146) 1.884 12.588 ( -0.946 1.158 -1.146) 1.884 12.644 ( -0.086 -2.366 0.953) 2.552 12.644 ( -0.086 2.366 0.953) 2.552 13.087 ( 0.402 -1.348 0.001) 1.407 13.087 ( 0.402 1.348 0.001) 1.407======================= Grid point 26 (15/69) =======================q-point: ( 0.44 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 5.539 -10.965 2.023) 12.450 1.097 ( 5.539 10.965 2.023) 12.450 1.318 ( 0.495 -9.392 -2.216) 9.662 1.318 ( 0.495 9.392 -2.216) 9.662 1.510 ( 2.517 -6.937 2.738) 7.871 1.510 ( 2.517 6.937 2.738) 7.871 1.594 ( -2.136 -3.561 -3.251) 5.274 1.594 ( -2.136 3.561 -3.251) 5.274 2.029 ( 0.990 -1.257 0.659) 1.730 2.029 ( 0.990 1.257 0.659) 1.730 2.288 ( -1.177 -3.196 0.804) 3.500 2.288 ( -1.177 3.196 0.804) 3.500 2.536 ( 10.373 -0.978 -1.140) 10.481 2.536 ( 10.373 0.978 -1.140) 10.481 2.691 ( -7.380 -2.899 0.481) 7.944 2.691 ( -7.380 2.899 0.481) 7.944 3.670 ( -0.159 -3.859 0.210) 3.868 3.670 ( -0.159 3.859 0.210) 3.868 3.945 ( 0.311 -1.668 -0.072) 1.698 3.945 ( 0.311 1.668 -0.072) 1.698 5.044 ( 0.896 -13.745 -1.498) 13.856 5.044 ( 0.896 13.745 -1.498) 13.856 5.073 ( -2.824 -2.715 1.402) 4.161 5.073 ( -2.824 2.715 1.402) 4.161 5.210 ( 1.334 -6.379 -0.454) 6.533 5.210 ( 1.334 6.379 -0.454) 6.533 5.426 ( 1.078 -1.588 0.998) 2.163 5.426 ( 1.078 1.588 0.998) 2.163 5.510 ( 0.589 -3.316 -0.318) 3.383 5.510 ( 0.589 3.316 -0.318) 3.383 5.891 ( 0.055 -2.708 -0.326) 2.729 5.891 ( 0.055 2.708 -0.326) 2.729 6.020 ( -2.437 -1.292 0.098) 2.760 6.020 ( -2.437 1.292 0.098) 2.760 6.383 ( 0.182 -5.680 -0.005) 5.683 6.383 ( 0.182 5.680 -0.005) 5.683 6.484 ( 1.575 -0.311 0.398) 1.654 6.484 ( 1.575 0.311 0.398) 1.654 6.519 ( 1.868 -2.502 -0.361) 3.143 6.519 ( 1.868 2.502 -0.361) 3.143 6.783 ( -5.114 -0.104 -0.003) 5.115 6.783 ( -5.114 0.104 -0.003) 5.115 7.230 ( 4.682 -1.134 -0.119) 4.819 7.230 ( 4.682 1.134 -0.119) 4.819 7.355 ( -0.661 -1.373 1.284) 1.993 7.355 ( -0.661 1.373 1.284) 1.993 7.409 ( -3.781 -0.456 -1.138) 3.975 7.409 ( -3.781 0.456 -1.138) 3.975 7.894 ( -1.137 -0.143 -0.012) 1.146 7.894 ( -1.137 0.143 -0.012) 1.146 7.925 ( -0.089 -0.274 -0.092) 0.302 7.925 ( -0.089 0.274 -0.092) 0.302 8.317 ( 0.046 -1.142 0.039) 1.144 8.317 ( 0.046 1.142 0.039) 1.144 8.435 ( 0.100 -1.243 0.179) 1.260 8.435 ( 0.100 1.243 0.179) 1.260 8.484 ( 0.244 -0.468 -0.093) 0.536 8.484 ( 0.244 0.468 -0.093) 0.536 8.546 ( 0.209 -0.138 0.002) 0.251 8.546 ( 0.209 0.138 0.002) 0.251 8.613 ( 1.588 -0.314 0.273) 1.641 8.613 ( 1.588 0.314 0.273) 1.641 8.669 ( 0.088 -0.555 -0.497) 0.750 8.669 ( 0.088 0.555 -0.497) 0.750 8.727 ( -0.128 -0.075 0.190) 0.241 8.727 ( -0.128 0.075 0.190) 0.241 8.795 ( 0.367 -0.394 0.006) 0.539 8.795 ( 0.367 0.394 0.006) 0.539 8.929 ( 0.712 -0.358 -0.165) 0.814 8.929 ( 0.712 0.358 -0.165) 0.814 8.981 ( 2.038 -0.185 0.180) 2.055 8.981 ( 2.038 0.185 0.180) 2.055 9.024 ( -1.633 -0.194 -0.064) 1.646 9.024 ( -1.633 0.194 -0.064) 1.646 9.315 ( -0.235 -0.364 -0.016) 0.434 9.315 ( -0.235 0.364 -0.016) 0.434 9.368 ( 0.190 -0.768 0.030) 0.791 9.368 ( 0.190 0.768 0.030) 0.791 9.389 ( 0.276 -1.301 0.012) 1.330 9.389 ( 0.276 1.301 0.012) 1.330 11.955 ( -0.121 -0.105 -0.026) 0.162 11.955 ( -0.121 0.105 -0.026) 0.162 12.099 ( 0.417 -0.190 -0.011) 0.458 12.099 ( 0.417 0.190 -0.011) 0.458 12.196 ( -0.374 -0.233 0.037) 0.443 12.196 ( -0.374 0.233 0.037) 0.443 12.270 ( -0.277 -1.599 -0.206) 1.636 12.270 ( -0.277 1.599 -0.206) 1.636 12.399 ( 0.464 -0.361 0.280) 0.651 12.399 ( 0.464 0.361 0.280) 0.651 12.564 ( -0.765 -0.659 -0.287) 1.049 12.564 ( -0.765 0.659 -0.287) 1.049 12.652 ( 0.221 -2.737 0.184) 2.752 12.652 ( 0.221 2.737 0.184) 2.752 13.092 ( 0.142 -0.914 0.010) 0.925 13.092 ( 0.142 0.914 0.010) 0.925======================= Grid point 45 (16/69) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.219 ( 8.701 0.000 11.152) 14.145 0.371 ( -8.327 0.000 18.705) 20.475 0.401 ( -5.363 0.000 19.718) 20.435 0.819 ( -3.318 0.000 -6.952) 7.703 1.332 ( -0.847 0.000 -9.475) 9.512 1.340 ( 4.047 0.000 -9.540) 10.363 1.543 ( 1.453 0.000 1.678) 2.220 1.577 ( 1.166 0.000 4.289) 4.445 1.630 ( -0.973 0.000 5.750) 5.831 1.696 ( 1.160 0.000 -1.926) 2.248 1.916 ( -0.906 0.000 0.062) 0.908 1.924 ( 0.735 0.000 -2.235) 2.353 2.711 ( -1.279 0.000 1.338) 1.851 2.767 ( -0.534 0.000 1.018) 1.150 2.805 ( 0.268 0.000 -0.041) 0.271 2.901 ( 1.245 0.000 -1.117) 1.673 3.625 ( -0.383 0.000 0.910) 0.988 3.848 ( 2.521 0.000 -6.308) 6.793 3.861 ( -0.325 0.000 0.525) 0.618 4.012 ( 0.354 0.000 -2.722) 2.745 4.619 ( -4.794 0.000 12.078) 12.995 5.014 ( -1.533 0.000 4.995) 5.225 5.171 ( -1.106 0.000 2.527) 2.758 5.228 ( -0.929 0.000 1.978) 2.186 5.347 ( 0.192 0.000 -1.496) 1.508 5.426 ( -2.751 0.000 -3.443) 4.407 5.461 ( 3.036 0.000 -3.203) 4.413 5.472 ( 2.412 0.000 -6.310) 6.755 5.513 ( 2.726 0.000 -2.985) 4.043 5.550 ( 3.528 0.000 -6.629) 7.509 5.755 ( -1.904 0.000 4.864) 5.224 5.934 ( -0.173 0.000 -0.883) 0.900 6.153 ( -3.654 0.000 7.505) 8.347 6.259 ( 0.411 0.000 0.280) 0.498 6.265 ( -0.390 0.000 -0.106) 0.404 6.376 ( -0.221 0.000 1.527) 1.543 6.462 ( 0.980 0.000 -1.756) 2.011 6.492 ( 0.972 0.000 -0.978) 1.379 6.566 ( -4.534 0.000 0.390) 4.551 6.611 ( 6.223 0.000 -0.635) 6.255 6.621 ( 3.182 0.000 -0.287) 3.194 6.633 ( -1.690 0.000 -0.396) 1.736 7.233 ( 1.115 0.000 0.276) 1.149 7.251 ( -0.262 0.000 0.037) 0.265 7.300 ( -0.020 0.000 0.658) 0.658 7.372 ( 0.187 0.000 -0.940) 0.958 7.652 ( -0.292 0.000 0.395) 0.491 7.699 ( 0.536 0.000 -0.735) 0.909 7.917 ( -0.088 0.000 0.372) 0.382 7.953 ( 0.244 0.000 -0.552) 0.603 7.968 ( -0.428 0.000 0.703) 0.823 8.013 ( 0.211 0.000 -0.303) 0.370 8.343 ( -0.189 0.000 -0.419) 0.459 8.344 ( 0.325 0.000 -0.804) 0.867 8.386 ( -0.649 0.000 1.013) 1.203 8.390 ( -0.376 0.000 0.600) 0.709 8.414 ( 1.211 0.000 0.222) 1.231 8.437 ( -0.215 0.000 -0.462) 0.510 8.447 ( -0.290 0.000 1.156) 1.192 8.500 ( -0.280 0.000 0.205) 0.347 8.532 ( 0.268 0.000 -0.590) 0.648 8.552 ( 0.139 0.000 -1.185) 1.193 8.628 ( -0.437 0.000 0.651) 0.784 8.682 ( 0.486 0.000 -0.582) 0.758 8.686 ( -0.224 0.000 0.258) 0.342 8.687 ( 0.281 0.000 0.421) 0.506 8.783 ( 0.517 0.000 -0.277) 0.586 8.792 ( -0.143 0.000 -0.472) 0.494 8.874 ( -0.346 0.000 0.203) 0.401 8.884 ( 0.142 0.000 -0.022) 0.143 8.983 ( -2.847 0.000 0.039) 2.847 8.997 ( 0.866 0.000 -0.199) 0.888 9.010 ( 0.776 0.000 1.223) 1.449 9.070 ( 0.881 0.000 0.177) 0.899 9.087 ( 2.336 0.000 -0.742) 2.451 9.095 ( -2.448 0.000 -0.378) 2.477 9.354 ( -0.117 0.000 0.694) 0.704 9.404 ( 0.166 0.000 -0.434) 0.465 9.427 ( -0.120 0.000 0.200) 0.234 9.453 ( 0.317 0.000 -0.370) 0.487 11.976 ( -0.360 0.000 0.115) 0.378 11.995 ( 1.122 0.000 -0.468) 1.215 12.016 ( -0.833 0.000 0.356) 0.905 12.029 ( 0.364 0.000 -0.082) 0.373 12.209 ( 0.282 0.000 0.812) 0.860 12.276 ( -0.806 0.000 -0.560) 0.981 12.286 ( -0.134 0.000 0.375) 0.398 12.325 ( -0.434 0.000 0.333) 0.547 12.331 ( 0.288 0.000 -0.494) 0.572 12.375 ( 1.672 0.000 -1.498) 2.245 12.553 ( 0.854 0.000 0.942) 1.272 12.576 ( -0.976 0.000 1.524) 1.810 12.698 ( 0.116 0.000 -1.352) 1.357 12.723 ( 0.174 0.000 -0.897) 0.914 13.002 ( -0.113 0.000 1.872) 1.876 13.117 ( 0.055 0.000 -1.068) 1.069======================= Grid point 46 (17/69) =======================q-point: ( 0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.425 ( 2.045 0.000 14.681) 14.822 0.528 ( 3.529 0.000 16.253) 16.631 0.827 ( 34.169 0.000 6.264) 34.738 0.912 ( 15.293 0.000 -8.408) 17.452 1.221 ( -4.122 0.000 -6.972) 8.099 1.405 ( 13.314 0.000 -9.017) 16.080 1.561 ( 0.789 0.000 0.272) 0.835 1.656 ( 3.637 0.000 3.814) 5.270 1.698 ( 0.755 0.000 -0.986) 1.242 1.700 ( 3.594 0.000 3.513) 5.026 1.922 ( 1.764 0.000 -0.381) 1.805 1.941 ( 3.023 0.000 -2.458) 3.896 2.632 ( -8.534 0.000 1.136) 8.609 2.733 ( -4.531 0.000 0.328) 4.543 2.802 ( -0.451 0.000 0.612) 0.760 2.923 ( 1.694 0.000 -0.635) 1.810 3.626 ( -0.354 0.000 0.912) 0.979 3.846 ( 2.801 0.000 -6.202) 6.806 3.865 ( 0.323 0.000 0.444) 0.549 4.000 ( 0.838 0.000 -3.000) 3.115 4.625 ( -5.010 0.000 12.105) 13.101 4.983 ( -5.565 0.000 5.504) 7.827 5.180 ( -0.500 0.000 3.018) 3.059 5.257 ( 1.954 0.000 1.559) 2.500 5.345 ( -1.674 0.000 -4.492) 4.794 5.359 ( 2.363 0.000 -1.737) 2.933 5.431 ( -3.143 0.000 -3.135) 4.439 5.437 ( -3.799 0.000 -0.194) 3.804 5.549 ( 3.867 0.000 -9.397) 10.162 5.555 ( 4.692 0.000 -5.271) 7.057 5.773 ( -0.614 0.000 5.560) 5.594 5.925 ( 0.169 0.000 -1.322) 1.333 6.148 ( -3.423 0.000 7.490) 8.235 6.290 ( 3.147 0.000 -0.374) 3.169 6.302 ( 3.541 0.000 0.497) 3.576 6.381 ( -1.011 0.000 1.954) 2.200 6.389 ( -10.352 0.000 -0.152) 10.353 6.451 ( -9.636 0.000 -0.324) 9.642 6.467 ( 0.951 0.000 -1.573) 1.838 6.495 ( 0.604 0.000 -1.303) 1.436 6.770 ( 8.633 0.000 -0.120) 8.634 6.781 ( 7.817 0.000 0.254) 7.822 7.217 ( -2.856 0.000 0.553) 2.909 7.228 ( -2.371 0.000 -0.391) 2.403 7.304 ( -0.040 0.000 0.975) 0.975 7.372 ( 0.648 0.000 -1.096) 1.273 7.621 ( -3.271 0.000 0.158) 3.275 7.675 ( -2.552 0.000 -0.627) 2.627 7.916 ( -0.358 0.000 0.421) 0.552 7.948 ( -0.175 0.000 -0.641) 0.665 7.973 ( 0.027 0.000 0.558) 0.559 8.012 ( -0.198 0.000 -0.175) 0.265 8.325 ( -1.284 0.000 0.045) 1.285 8.351 ( 0.899 0.000 -0.799) 1.203 8.378 ( -1.080 0.000 0.393) 1.149 8.405 ( 1.414 0.000 0.313) 1.448 8.443 ( 1.523 0.000 -0.254) 1.545 8.450 ( 2.150 0.000 0.364) 2.180 8.456 ( 0.246 0.000 1.319) 1.342 8.498 ( -0.028 0.000 0.180) 0.182 8.535 ( 0.659 0.000 -0.535) 0.849 8.541 ( -0.101 0.000 -1.332) 1.336 8.626 ( -0.086 0.000 0.685) 0.690 8.674 ( -0.177 0.000 -0.426) 0.461 8.704 ( 0.982 0.000 0.450) 1.080 8.705 ( 1.464 0.000 0.120) 1.469 8.783 ( -0.554 0.000 0.095) 0.562 8.784 ( -0.242 0.000 -0.597) 0.644 8.875 ( 0.313 0.000 0.064) 0.319 8.883 ( -0.367 0.000 -0.049) 0.371 8.934 ( -1.372 0.000 -0.041) 1.373 8.984 ( -2.277 0.000 0.181) 2.284 9.019 ( 0.359 0.000 0.466) 0.588 9.042 ( -0.424 0.000 -0.598) 0.733 9.139 ( 4.640 0.000 0.731) 4.697 9.180 ( 5.985 0.000 -0.732) 6.029 9.353 ( -0.603 0.000 0.772) 0.979 9.401 ( -0.086 0.000 -0.524) 0.531 9.419 ( -0.992 0.000 0.213) 1.015 9.446 ( -0.738 0.000 -0.444) 0.862 11.968 ( -0.451 0.000 -0.046) 0.454 11.989 ( -0.960 0.000 -0.076) 0.963 12.034 ( 1.707 0.000 -0.445) 1.764 12.045 ( 1.222 0.000 0.118) 1.228 12.219 ( -0.153 0.000 1.339) 1.348 12.249 ( -1.392 0.000 -1.043) 1.740 12.285 ( -0.185 0.000 0.393) 0.435 12.322 ( -0.321 0.000 -0.892) 0.948 12.334 ( 0.531 0.000 -0.367) 0.646 12.395 ( 1.507 0.000 -1.050) 1.836 12.570 ( -0.715 0.000 1.005) 1.233 12.573 ( 0.536 0.000 1.530) 1.621 12.680 ( -1.092 0.000 -1.137) 1.577 12.711 ( -0.554 0.000 -1.128) 1.257 13.021 ( 0.505 0.000 2.055) 2.117 13.111 ( 0.312 0.000 -1.342) 1.377======================= Grid point 47 (18/69) =======================q-point: ( 0.22 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 7.733 0.000 11.076) 13.509 0.748 ( 9.182 0.000 11.345) 14.595 1.077 ( -5.248 0.000 -4.232) 6.741 1.089 ( 11.544 0.000 -6.578) 13.287 1.404 ( 22.182 0.000 4.219) 22.579 1.590 ( 3.263 0.000 -1.206) 3.479 1.613 ( 11.615 0.000 -8.886) 14.624 1.686 ( 1.176 0.000 -1.391) 1.821 1.800 ( 5.610 0.000 2.553) 6.164 1.828 ( 12.788 0.000 2.228) 12.981 1.976 ( 5.392 0.000 0.995) 5.483 2.004 ( 7.525 0.000 -3.093) 8.136 2.451 ( -12.348 0.000 1.795) 12.478 2.622 ( -7.433 0.000 -0.196) 7.436 2.788 ( -2.353 0.000 1.018) 2.564 2.930 ( -0.995 0.000 -0.558) 1.141 3.626 ( -0.488 0.000 0.946) 1.064 3.856 ( 3.536 0.000 -5.918) 6.894 3.877 ( 0.593 0.000 0.219) 0.633 3.995 ( 1.316 0.000 -3.331) 3.582 4.627 ( -5.210 0.000 12.097) 13.171 4.936 ( -4.075 0.000 5.892) 7.164 5.172 ( -3.889 0.000 2.794) 4.788 5.280 ( -2.197 0.000 -1.074) 2.446 5.302 ( 0.845 0.000 -4.085) 4.172 5.351 ( -1.893 0.000 0.971) 2.127 5.387 ( -0.393 0.000 -0.304) 0.497 5.393 ( 2.739 0.000 -1.946) 3.360 5.552 ( 5.222 0.000 -10.752) 11.953 5.583 ( 2.967 0.000 -5.040) 5.848 5.809 ( -0.147 0.000 4.960) 4.963 5.921 ( 0.652 0.000 -1.605) 1.732 6.146 ( -3.455 0.000 7.351) 8.123 6.209 ( -8.934 0.000 0.176) 8.936 6.273 ( -8.866 0.000 0.300) 8.872 6.354 ( 3.955 0.000 -0.356) 3.971 6.383 ( 4.129 0.000 -0.091) 4.130 6.398 ( 0.297 0.000 1.260) 1.295 6.474 ( 1.122 0.000 -1.619) 1.970 6.504 ( 1.671 0.000 -0.912) 1.904 6.894 ( 4.989 0.000 -0.431) 5.007 6.902 ( 4.793 0.000 0.539) 4.823 7.154 ( -4.192 0.000 1.068) 4.326 7.167 ( -3.277 0.000 -0.879) 3.393 7.313 ( 0.050 0.000 1.099) 1.100 7.377 ( 0.962 0.000 -1.219) 1.553 7.553 ( -4.286 0.000 0.052) 4.286 7.607 ( -4.492 0.000 -0.510) 4.521 7.913 ( -0.293 0.000 0.462) 0.548 7.939 ( -0.225 0.000 -0.593) 0.634 7.962 ( -1.783 0.000 0.205) 1.795 7.995 ( -1.902 0.000 -0.068) 1.903 8.306 ( -1.031 0.000 0.596) 1.191 8.341 ( -0.825 0.000 -1.035) 1.323 8.378 ( 0.730 0.000 0.347) 0.808 8.435 ( 1.544 0.000 0.069) 1.545 8.465 ( 0.101 0.000 0.993) 0.998 8.483 ( 2.680 0.000 -0.048) 2.681 8.498 ( 2.800 0.000 0.093) 2.802 8.503 ( 0.491 0.000 0.396) 0.631 8.534 ( 0.377 0.000 -1.055) 1.121 8.547 ( 1.025 0.000 -0.438) 1.115 8.640 ( 0.951 0.000 0.838) 1.268 8.672 ( 0.463 0.000 -0.746) 0.878 8.719 ( 0.389 0.000 0.172) 0.426 8.737 ( 1.718 0.000 0.322) 1.748 8.767 ( -1.010 0.000 0.309) 1.056 8.778 ( 0.150 0.000 -0.490) 0.512 8.881 ( 0.556 0.000 -0.220) 0.598 8.888 ( 1.220 0.000 0.002) 1.220 8.935 ( 0.800 0.000 0.060) 0.802 8.951 ( -1.064 0.000 -0.020) 1.065 9.031 ( 0.571 0.000 0.287) 0.639 9.045 ( 0.663 0.000 -0.320) 0.736 9.221 ( 3.932 0.000 0.757) 4.005 9.274 ( 5.003 0.000 -0.686) 5.050 9.344 ( -0.978 0.000 0.789) 1.257 9.393 ( -0.608 0.000 -0.337) 0.695 9.398 ( -1.203 0.000 -0.054) 1.204 9.426 ( -1.037 0.000 -0.321) 1.086 11.962 ( -0.251 0.000 -0.006) 0.251 11.972 ( -0.890 0.000 -0.032) 0.890 12.059 ( 1.444 0.000 -0.267) 1.469 12.069 ( 1.366 0.000 0.139) 1.373 12.217 ( -1.363 0.000 -0.894) 1.630 12.222 ( -0.757 0.000 1.460) 1.644 12.282 ( -1.016 0.000 0.369) 1.081 12.308 ( 0.148 0.000 -0.838) 0.852 12.345 ( 1.019 0.000 -0.346) 1.076 12.408 ( 0.887 0.000 -0.957) 1.305 12.566 ( -0.386 0.000 0.421) 0.571 12.589 ( -0.461 0.000 1.546) 1.613 12.645 ( -1.978 0.000 -0.564) 2.057 12.697 ( 0.258 0.000 -1.070) 1.101 13.047 ( 0.662 0.000 1.863) 1.977 13.107 ( 0.377 0.000 -1.427) 1.476======================= Grid point 48 (19/69) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 3.620 0.000 8.919) 9.626 0.986 ( -0.956 0.000 0.020) 0.957 1.006 ( 11.751 0.000 7.227) 13.795 1.245 ( 11.052 0.000 -4.378) 11.887 1.590 ( 3.860 0.000 -2.950) 4.858 1.632 ( -0.042 0.000 -6.047) 6.048 1.698 ( 6.087 0.000 0.585) 6.116 1.727 ( 3.775 0.000 -3.165) 4.926 1.907 ( 2.332 0.000 3.173) 3.937 1.930 ( -1.838 0.000 0.294) 1.862 2.176 ( 4.085 0.000 1.696) 4.423 2.203 ( 16.268 0.000 -2.545) 16.466 2.332 ( 5.800 0.000 2.302) 6.240 2.490 ( -6.750 0.000 -0.784) 6.795 2.729 ( -5.182 0.000 1.634) 5.433 2.868 ( -5.303 0.000 -1.001) 5.397 3.624 ( -0.562 0.000 1.198) 1.324 3.877 ( 3.763 0.000 -5.986) 7.070 3.886 ( 0.256 0.000 0.072) 0.266 3.997 ( 1.877 0.000 -3.306) 3.802 4.625 ( -5.381 0.000 12.025) 13.174 4.936 ( -1.281 0.000 6.133) 6.266 5.089 ( -6.460 0.000 2.330) 6.868 5.185 ( -4.869 0.000 -1.589) 5.121 5.339 ( 5.622 0.000 -2.776) 6.270 5.377 ( 1.675 0.000 1.366) 2.162 5.408 ( 3.033 0.000 -1.330) 3.312 5.419 ( 2.211 0.000 -2.514) 3.348 5.566 ( 5.293 0.000 -10.095) 11.398 5.585 ( 1.536 0.000 -4.631) 4.879 5.831 ( -1.640 0.000 4.389) 4.686 5.923 ( 0.980 0.000 -1.676) 1.941 6.062 ( -6.650 0.000 0.385) 6.661 6.136 ( -6.606 0.000 -0.216) 6.609 6.157 ( -2.834 0.000 7.482) 8.001 6.405 ( 1.699 0.000 0.526) 1.779 6.434 ( 2.714 0.000 0.620) 2.784 6.443 ( 3.138 0.000 -0.424) 3.167 6.482 ( 1.191 0.000 -1.606) 1.999 6.541 ( 2.834 0.000 -0.619) 2.901 6.893 ( -5.024 0.000 -0.344) 5.036 6.898 ( -5.780 0.000 0.306) 5.788 7.151 ( 3.279 0.000 1.707) 3.697 7.156 ( 3.894 0.000 -1.307) 4.107 7.321 ( -0.060 0.000 1.032) 1.034 7.385 ( 0.856 0.000 -1.235) 1.503 7.473 ( -4.760 0.000 -0.326) 4.771 7.515 ( -5.622 0.000 -0.171) 5.624 7.911 ( -0.544 0.000 0.466) 0.716 7.920 ( -2.418 0.000 0.043) 2.418 7.934 ( -0.077 0.000 -0.411) 0.418 7.948 ( -2.668 0.000 -0.189) 2.675 8.296 ( -0.830 0.000 0.778) 1.138 8.331 ( 0.343 0.000 -0.627) 0.715 8.393 ( 0.449 0.000 0.540) 0.702 8.453 ( 0.573 0.000 -0.169) 0.597 8.473 ( 0.118 0.000 0.606) 0.617 8.502 ( 0.518 0.000 -0.650) 0.831 8.534 ( 0.774 0.000 -0.832) 1.137 8.549 ( 2.647 0.000 1.245) 2.926 8.549 ( 2.945 0.000 -0.234) 2.954 8.563 ( 1.123 0.000 -0.351) 1.177 8.665 ( 0.988 0.000 0.704) 1.213 8.678 ( 0.825 0.000 -0.824) 1.166 8.723 ( 0.101 0.000 0.127) 0.162 8.738 ( -1.007 0.000 -0.047) 1.008 8.779 ( 0.170 0.000 -0.299) 0.343 8.785 ( 1.781 0.000 0.407) 1.827 8.900 ( 1.615 0.000 0.093) 1.618 8.919 ( 2.251 0.000 -0.234) 2.263 8.948 ( 0.515 0.000 0.150) 0.536 8.953 ( 1.200 0.000 -0.110) 1.205 9.036 ( -0.369 0.000 0.185) 0.413 9.049 ( -0.290 0.000 -0.191) 0.347 9.281 ( 2.001 0.000 0.700) 2.120 9.322 ( -0.247 0.000 0.070) 0.256 9.346 ( 1.482 0.000 0.054) 1.483 9.370 ( -1.398 0.000 0.350) 1.441 9.389 ( 0.086 0.000 -0.683) 0.688 9.412 ( 0.079 0.000 -0.316) 0.325 11.958 ( -0.147 0.000 0.027) 0.150 11.959 ( -0.604 0.000 0.042) 0.605 12.080 ( 1.088 0.000 -0.088) 1.092 12.092 ( 1.056 0.000 0.082) 1.060 12.191 ( -0.886 0.000 -0.450) 0.993 12.217 ( -0.941 0.000 1.215) 1.537 12.257 ( -1.449 0.000 -0.011) 1.449 12.318 ( 0.919 0.000 -0.039) 0.919 12.362 ( 1.228 0.000 -0.801) 1.466 12.411 ( 0.211 0.000 -0.989) 1.011 12.564 ( 0.005 0.000 -0.026) 0.026 12.576 ( -1.779 0.000 0.824) 1.960 12.608 ( -1.937 0.000 0.477) 1.995 12.707 ( 1.342 0.000 -0.657) 1.494 13.068 ( 0.242 0.000 1.360) 1.382 13.104 ( 0.411 0.000 -1.223) 1.290======================= Grid point 49 (20/69) =======================q-point: ( 0.44 0.00 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( -4.293 0.000 5.586) 7.045 1.067 ( 3.103 0.000 6.412) 7.124 1.243 ( 8.354 0.000 4.919) 9.694 1.389 ( 7.095 0.000 -1.715) 7.300 1.535 ( -4.176 0.000 -8.508) 9.478 1.626 ( 3.294 0.000 -3.774) 5.009 1.743 ( 1.693 0.000 -6.965) 7.167 1.767 ( 2.643 0.000 -1.412) 2.997 1.869 ( -4.452 0.000 6.896) 8.208 1.925 ( -2.064 0.000 1.356) 2.470 2.180 ( -0.181 0.000 1.940) 1.949 2.387 ( -3.342 0.000 -1.578) 3.696 2.434 ( 10.226 0.000 -0.272) 10.230 2.545 ( 9.021 0.000 0.697) 9.048 2.650 ( -5.362 0.000 1.974) 5.714 2.750 ( -5.599 0.000 -1.667) 5.842 3.626 ( -0.467 0.000 1.592) 1.659 3.886 ( -0.159 0.000 -0.128) 0.204 3.889 ( 2.877 0.000 -6.328) 6.951 4.012 ( 2.398 0.000 -2.974) 3.820 4.620 ( -5.524 0.000 11.864) 13.087 4.965 ( -1.443 0.000 6.309) 6.472 5.016 ( -3.332 0.000 2.287) 4.041 5.116 ( -1.457 0.000 -1.240) 1.913 5.393 ( 0.719 0.000 0.488) 0.869 5.406 ( 0.602 0.000 0.217) 0.640 5.433 ( 1.667 0.000 -2.783) 3.244 5.489 ( 8.464 0.000 -6.454) 10.644 5.568 ( 0.295 0.000 -3.030) 3.045 5.579 ( 4.229 0.000 -9.145) 10.075 5.812 ( -4.262 0.000 4.339) 6.082 5.930 ( 1.179 0.000 -1.301) 1.755 5.982 ( -2.519 0.000 0.526) 2.573 6.048 ( -2.716 0.000 -0.598) 2.781 6.167 ( -2.770 0.000 7.767) 8.246 6.434 ( 0.987 0.000 0.684) 1.201 6.477 ( 1.299 0.000 0.117) 1.305 6.490 ( 2.083 0.000 -0.265) 2.100 6.494 ( 1.419 0.000 -1.064) 1.774 6.581 ( 2.057 0.000 -1.038) 2.304 6.782 ( -5.002 0.000 -0.180) 5.005 6.784 ( -5.255 0.000 0.218) 5.259 7.235 ( 2.648 0.000 1.553) 3.070 7.248 ( 6.426 0.000 -1.139) 6.526 7.328 ( 0.267 0.000 0.835) 0.876 7.375 ( -1.620 0.000 -0.983) 1.895 7.404 ( -0.781 0.000 -0.787) 1.109 7.409 ( -6.459 0.000 0.253) 6.464 7.889 ( -0.951 0.000 0.178) 0.967 7.893 ( -1.167 0.000 0.245) 1.193 7.925 ( -0.280 0.000 -0.047) 0.284 7.933 ( 0.224 0.000 -0.301) 0.375 8.289 ( -0.647 0.000 0.791) 1.021 8.335 ( 0.478 0.000 -0.362) 0.600 8.402 ( 0.038 0.000 0.729) 0.730 8.455 ( 0.007 0.000 -0.289) 0.289 8.476 ( -0.141 0.000 0.140) 0.198 8.504 ( 0.367 0.000 -0.769) 0.852 8.537 ( 0.179 0.000 -0.440) 0.475 8.571 ( 0.625 0.000 -0.876) 1.076 8.595 ( 1.632 0.000 0.401) 1.681 8.598 ( 1.276 0.000 1.243) 1.781 8.679 ( 0.216 0.000 0.125) 0.250 8.687 ( 0.777 0.000 -0.667) 1.024 8.722 ( -0.505 0.000 -0.146) 0.526 8.724 ( -0.359 0.000 0.157) 0.391 8.781 ( 0.229 0.000 0.137) 0.267 8.808 ( 0.387 0.000 0.082) 0.395 8.928 ( 0.913 0.000 0.275) 0.953 8.945 ( 0.769 0.000 -0.270) 0.815 8.977 ( 2.466 0.000 0.143) 2.471 8.978 ( 1.932 0.000 -0.133) 1.936 9.019 ( -1.640 0.000 0.099) 1.643 9.028 ( -1.864 0.000 -0.130) 1.868 9.299 ( -0.106 0.000 0.464) 0.476 9.311 ( -0.564 0.000 0.314) 0.646 9.358 ( 0.062 0.000 -0.001) 0.062 9.359 ( -0.238 0.000 0.615) 0.660 9.388 ( 0.346 0.000 -0.609) 0.700 9.421 ( 0.792 0.000 -0.647) 1.023 11.952 ( -0.214 0.000 0.109) 0.240 11.957 ( -0.040 0.000 0.011) 0.041 12.094 ( 0.474 0.000 0.076) 0.480 12.105 ( 0.349 0.000 -0.014) 0.350 12.181 ( -0.059 0.000 0.082) 0.101 12.208 ( -0.879 0.000 0.543) 1.033 12.241 ( -0.426 0.000 0.498) 0.655 12.333 ( 0.552 0.000 0.299) 0.628 12.372 ( 1.063 0.000 -1.819) 2.107 12.400 ( -0.564 0.000 -1.037) 1.181 12.552 ( -1.162 0.000 0.415) 1.234 12.568 ( 0.602 0.000 -0.201) 0.635 12.591 ( -0.929 0.000 1.822) 2.045 12.720 ( 0.595 0.000 -0.871) 1.055 13.074 ( -0.529 0.000 0.714) 0.889 13.105 ( 0.662 0.000 -0.736) 0.990======================= Grid point 50 (21/69) =======================q-point: (-0.44 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( -4.188 0.000 5.776) 7.135 1.127 ( -2.159 0.000 7.587) 7.888 1.199 ( -15.298 0.000 2.067) 15.437 1.444 ( 0.418 0.000 -0.506) 0.656 1.526 ( 7.403 0.000 -4.275) 8.548 1.638 ( 0.539 0.000 -3.102) 3.148 1.688 ( 0.168 0.000 -9.015) 9.016 1.772 ( -0.381 0.000 -2.616) 2.643 1.859 ( -5.601 0.000 0.407) 5.616 1.917 ( 3.029 0.000 6.089) 6.801 2.200 ( 0.552 0.000 3.085) 3.134 2.363 ( 2.671 0.000 -2.755) 3.837 2.510 ( -11.199 0.000 -1.144) 11.257 2.525 ( -8.849 0.000 3.180) 9.403 2.602 ( 6.497 0.000 0.089) 6.497 2.761 ( 6.252 0.000 -1.023) 6.336 3.632 ( -0.359 0.000 1.836) 1.871 3.881 ( -0.124 0.000 -0.408) 0.427 3.883 ( 1.963 0.000 -6.299) 6.597 4.031 ( 2.152 0.000 -2.809) 3.539 4.612 ( -5.515 0.000 11.728) 12.961 4.966 ( -3.986 0.000 6.225) 7.392 5.014 ( 1.164 0.000 2.348) 2.621 5.120 ( 2.852 0.000 -0.975) 3.014 5.388 ( -1.467 0.000 0.457) 1.537 5.397 ( -1.740 0.000 0.268) 1.760 5.437 ( 1.277 0.000 -3.024) 3.282 5.481 ( -1.742 0.000 -6.299) 6.535 5.570 ( 2.891 0.000 -9.378) 9.813 5.614 ( 4.801 0.000 -3.680) 6.049 5.767 ( -3.673 0.000 4.419) 5.746 5.945 ( 1.122 0.000 -0.537) 1.244 5.988 ( 2.638 0.000 0.779) 2.750 6.041 ( 2.460 0.000 -0.916) 2.625 6.175 ( -3.159 0.000 7.891) 8.500 6.443 ( -0.767 0.000 0.702) 1.039 6.474 ( -1.675 0.000 0.127) 1.680 6.494 ( -0.682 0.000 -0.910) 1.137 6.494 ( -1.441 0.000 -0.118) 1.446 6.568 ( -2.119 0.000 -1.544) 2.622 6.778 ( 4.672 0.000 -0.042) 4.672 6.790 ( 5.609 0.000 0.129) 5.611 7.198 ( -5.714 0.000 -0.071) 5.714 7.284 ( -4.828 0.000 0.574) 4.862 7.317 ( -1.539 0.000 0.334) 1.575 7.388 ( 6.649 0.000 -0.675) 6.683 7.398 ( 1.073 0.000 -0.344) 1.126 7.409 ( 3.836 0.000 -0.138) 3.839 7.893 ( 0.803 0.000 0.202) 0.828 7.893 ( 1.153 0.000 0.301) 1.191 7.923 ( 0.245 0.000 -0.137) 0.281 7.936 ( 0.328 0.000 -0.188) 0.378 8.286 ( -0.281 0.000 0.690) 0.745 8.340 ( 0.278 0.000 -0.246) 0.371 8.407 ( -0.197 0.000 0.931) 0.952 8.452 ( -0.076 0.000 -0.435) 0.441 8.470 ( -0.603 0.000 -0.102) 0.612 8.503 ( 0.192 0.000 -0.702) 0.728 8.532 ( -0.488 0.000 -0.330) 0.589 8.569 ( -0.107 0.000 -0.887) 0.894 8.602 ( -1.609 0.000 0.941) 1.864 8.605 ( -1.213 0.000 0.732) 1.417 8.672 ( -1.042 0.000 -0.145) 1.052 8.692 ( 0.260 0.000 -0.373) 0.455 8.717 ( -0.102 0.000 -0.101) 0.144 8.724 ( 0.630 0.000 -0.037) 0.631 8.788 ( 0.211 0.000 0.390) 0.444 8.801 ( -1.037 0.000 -0.160) 1.049 8.927 ( -1.095 0.000 0.163) 1.107 8.949 ( -0.106 0.000 -0.084) 0.135 8.977 ( -2.892 0.000 0.035) 2.892 8.984 ( -1.731 0.000 0.062) 1.732 9.017 ( 1.668 0.000 0.061) 1.669 9.026 ( 2.020 0.000 -0.170) 2.027 9.297 ( -0.453 0.000 0.388) 0.596 9.311 ( 0.219 0.000 0.348) 0.411 9.358 ( -0.073 0.000 -0.067) 0.099 9.362 ( -0.165 0.000 0.696) 0.716 9.390 ( 0.349 0.000 -0.510) 0.618 9.419 ( -0.437 0.000 -0.752) 0.870 11.953 ( 0.212 0.000 0.135) 0.251 11.957 ( 0.106 0.000 0.017) 0.108 12.096 ( -0.313 0.000 0.183) 0.362 12.102 ( -0.549 0.000 -0.119) 0.562 12.191 ( 0.893 0.000 0.535) 1.041 12.197 ( -0.432 0.000 -0.031) 0.433 12.249 ( 0.539 0.000 0.916) 1.063 12.340 ( -0.122 0.000 0.669) 0.680 12.368 ( 0.174 0.000 -2.633) 2.639 12.382 ( -0.241 0.000 -0.869) 0.902 12.546 ( 0.110 0.000 0.087) 0.140 12.579 ( 0.563 0.000 -0.040) 0.564 12.604 ( 0.594 0.000 2.341) 2.415 12.713 ( -0.344 0.000 -1.189) 1.237 13.061 ( -1.255 0.000 0.200) 1.271 13.115 ( 0.823 0.000 -0.282) 0.870======================= Grid point 51 (22/69) =======================q-point: (-0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( -9.516 0.000 6.521) 11.536 0.912 ( -17.973 0.000 2.646) 18.166 1.145 ( -0.057 0.000 5.865) 5.865 1.380 ( -6.641 0.000 0.535) 6.662 1.567 ( -7.547 0.000 -2.738) 8.029 1.602 ( 3.539 0.000 -3.115) 4.715 1.642 ( 2.006 0.000 -7.211) 7.484 1.716 ( -3.727 0.000 -2.315) 4.388 1.766 ( -4.757 0.000 0.605) 4.795 1.998 ( 0.912 0.000 1.697) 1.926 2.218 ( -20.289 0.000 -1.517) 20.345 2.287 ( 6.775 0.000 4.890) 8.355 2.294 ( -14.463 0.000 0.588) 14.475 2.454 ( 7.043 0.000 -2.232) 7.388 2.730 ( 5.563 0.000 1.952) 5.896 2.856 ( 4.981 0.000 -1.519) 5.207 3.637 ( -0.652 0.000 1.676) 1.799 3.867 ( 1.591 0.000 -5.949) 6.158 3.878 ( 0.173 0.000 -0.451) 0.483 4.042 ( 1.475 0.000 -2.850) 3.209 4.606 ( -5.302 0.000 11.778) 12.916 4.930 ( -4.521 0.000 5.577) 7.179 5.082 ( 3.966 0.000 2.337) 4.603 5.194 ( 6.070 0.000 -0.874) 6.132 5.353 ( -2.198 0.000 -0.365) 2.228 5.361 ( -2.584 0.000 1.273) 2.881 5.407 ( -1.310 0.000 -3.825) 4.043 5.431 ( 0.531 0.000 -2.749) 2.799 5.546 ( 3.030 0.000 -10.333) 10.768 5.622 ( 0.434 0.000 -4.704) 4.724 5.760 ( -1.370 0.000 3.648) 3.896 5.954 ( 0.161 0.000 -0.145) 0.216 6.078 ( 6.333 0.000 1.075) 6.423 6.111 ( 6.128 0.000 -1.188) 6.242 6.177 ( -3.278 0.000 7.863) 8.519 6.414 ( -2.470 0.000 0.451) 2.511 6.441 ( -2.635 0.000 1.212) 2.900 6.449 ( -3.402 0.000 -0.275) 3.413 6.474 ( -0.094 0.000 -1.873) 1.875 6.521 ( -1.374 0.000 -1.376) 1.945 6.887 ( 5.341 0.000 -0.191) 5.344 6.905 ( 5.157 0.000 0.163) 5.160 7.101 ( -3.657 0.000 -0.324) 3.671 7.194 ( -4.024 0.000 0.464) 4.051 7.307 ( -0.757 0.000 0.483) 0.898 7.397 ( -0.027 0.000 -0.734) 0.735 7.491 ( 4.280 0.000 0.461) 4.304 7.501 ( 6.490 0.000 -0.855) 6.546 7.905 ( 0.121 0.000 0.189) 0.224 7.929 ( 2.265 0.000 0.377) 2.296 7.942 ( 0.594 0.000 -0.143) 0.611 7.946 ( 2.561 0.000 -0.352) 2.585 8.289 ( 0.051 0.000 0.442) 0.444 8.344 ( 0.444 0.000 -0.198) 0.486 8.409 ( -0.469 0.000 1.156) 1.248 8.446 ( -0.210 0.000 -0.588) 0.624 8.454 ( -1.166 0.000 -0.074) 1.168 8.497 ( -0.526 0.000 -0.712) 0.885 8.514 ( -1.213 0.000 0.139) 1.221 8.555 ( -1.090 0.000 -0.720) 1.306 8.568 ( -2.898 0.000 0.586) 2.956 8.575 ( -1.586 0.000 0.443) 1.647 8.647 ( -1.444 0.000 -0.069) 1.446 8.690 ( -0.226 0.000 -0.180) 0.289 8.720 ( 0.239 0.000 0.140) 0.277 8.731 ( 0.115 0.000 -0.321) 0.341 8.774 ( -1.566 0.000 0.043) 1.567 8.789 ( -0.306 0.000 0.096) 0.320 8.904 ( -1.259 0.000 0.161) 1.269 8.923 ( -2.499 0.000 -0.068) 2.500 8.948 ( -0.269 0.000 0.032) 0.270 8.957 ( -1.276 0.000 0.053) 1.277 9.034 ( 0.185 0.000 0.126) 0.223 9.049 ( 0.642 0.000 -0.150) 0.660 9.277 ( -2.594 0.000 0.578) 2.658 9.319 ( 0.107 0.000 0.130) 0.168 9.345 ( -1.613 0.000 -0.087) 1.616 9.369 ( 0.827 0.000 0.177) 0.846 9.396 ( 0.621 0.000 -0.182) 0.647 9.409 ( 0.452 0.000 -0.523) 0.692 11.961 ( 0.254 0.000 0.082) 0.267 11.961 ( 0.606 0.000 0.100) 0.614 12.085 ( -1.198 0.000 -0.200) 1.214 12.086 ( -0.972 0.000 0.192) 0.991 12.193 ( 0.039 0.000 -0.256) 0.259 12.218 ( 1.539 0.000 0.801) 1.735 12.269 ( 0.761 0.000 0.878) 1.162 12.342 ( -0.186 0.000 1.078) 1.094 12.346 ( -0.556 0.000 -1.459) 1.562 12.377 ( 0.723 0.000 -2.114) 2.235 12.550 ( 0.210 0.000 -0.400) 0.452 12.585 ( -0.311 0.000 1.165) 1.205 12.640 ( 1.741 0.000 1.025) 2.020 12.700 ( 0.033 0.000 -1.004) 1.004 13.036 ( -1.594 0.000 0.118) 1.598 13.126 ( 0.541 0.000 -0.169) 0.566======================= Grid point 52 (23/69) =======================q-point: (-0.22 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( -14.908 0.000 8.854) 17.339 0.635 ( -17.239 0.000 7.081) 18.637 1.231 ( 5.488 0.000 1.791) 5.773 1.267 ( -5.281 0.000 -1.675) 5.540 1.274 ( -24.405 0.000 -1.319) 24.441 1.586 ( -1.957 0.000 -2.708) 3.341 1.617 ( -5.348 0.000 -1.712) 5.615 1.655 ( 2.100 0.000 -3.238) 3.859 1.703 ( -3.814 0.000 1.712) 4.180 1.785 ( -23.321 0.000 -2.761) 23.484 1.995 ( -3.030 0.000 1.157) 3.243 2.070 ( -9.104 0.000 -0.715) 9.132 2.482 ( 10.152 0.000 3.522) 10.746 2.590 ( 9.116 0.000 -1.823) 9.296 2.805 ( 1.069 0.000 2.033) 2.297 2.902 ( 1.636 0.000 -1.762) 2.405 3.634 ( -0.913 0.000 1.228) 1.531 3.853 ( 2.017 0.000 -5.735) 6.080 3.876 ( -0.240 0.000 -0.116) 0.266 4.040 ( 0.803 0.000 -2.905) 3.014 4.605 ( -5.032 0.000 11.907) 12.927 4.918 ( -0.937 0.000 4.828) 4.918 5.156 ( 1.282 0.000 2.541) 2.846 5.281 ( 1.219 0.000 0.442) 1.297 5.339 ( 2.330 0.000 -1.855) 2.978 5.353 ( 3.052 0.000 0.604) 3.112 5.390 ( 1.927 0.000 -1.577) 2.490 5.410 ( -1.111 0.000 -1.520) 1.883 5.526 ( 4.293 0.000 -11.650) 12.416 5.581 ( -0.643 0.000 -5.218) 5.258 5.758 ( -1.948 0.000 3.638) 4.127 5.951 ( -0.304 0.000 -0.154) 0.341 6.164 ( -2.734 0.000 7.290) 7.786 6.225 ( 7.560 0.000 -1.241) 7.661 6.230 ( 7.640 0.000 1.595) 7.805 6.369 ( -3.340 0.000 0.059) 3.340 6.373 ( -4.471 0.000 -0.600) 4.511 6.406 ( -1.711 0.000 1.597) 2.340 6.464 ( 0.520 0.000 -2.123) 2.186 6.504 ( 0.225 0.000 -0.964) 0.990 6.874 ( -5.707 0.000 -0.277) 5.713 6.905 ( -5.277 0.000 0.152) 5.279 7.121 ( 4.642 0.000 -0.105) 4.644 7.190 ( 2.713 0.000 0.142) 2.716 7.298 ( -0.651 0.000 0.533) 0.842 7.388 ( -0.262 0.000 -0.733) 0.778 7.565 ( 3.773 0.000 0.491) 3.805 7.598 ( 5.266 0.000 -0.928) 5.347 7.908 ( 0.142 0.000 0.247) 0.285 7.946 ( 0.497 0.000 -0.377) 0.624 7.972 ( 1.230 0.000 0.614) 1.374 7.987 ( 2.058 0.000 -0.429) 2.102 8.298 ( 0.907 0.000 0.194) 0.928 8.352 ( 0.604 0.000 -0.515) 0.794 8.406 ( -0.941 0.000 1.252) 1.566 8.429 ( -1.568 0.000 0.055) 1.569 8.436 ( -0.426 0.000 -0.583) 0.722 8.470 ( -1.664 0.000 -0.132) 1.669 8.501 ( -3.568 0.000 0.328) 3.583 8.505 ( -0.291 0.000 0.305) 0.422 8.546 ( -0.549 0.000 -0.483) 0.731 8.558 ( -0.464 0.000 -0.242) 0.523 8.628 ( -0.726 0.000 0.294) 0.783 8.681 ( -0.511 0.000 -0.309) 0.597 8.716 ( -1.073 0.000 0.275) 1.108 8.719 ( -1.015 0.000 -0.288) 1.055 8.762 ( 0.166 0.000 0.105) 0.196 8.787 ( 0.304 0.000 -0.125) 0.329 8.890 ( -0.497 0.000 0.030) 0.498 8.891 ( -1.088 0.000 0.032) 1.088 8.944 ( -0.250 0.000 0.406) 0.477 8.948 ( 0.483 0.000 -0.275) 0.556 9.028 ( -0.885 0.000 0.122) 0.893 9.050 ( -0.184 0.000 -0.119) 0.219 9.216 ( -4.731 0.000 0.563) 4.764 9.275 ( -4.249 0.000 -0.583) 4.288 9.338 ( 0.311 0.000 0.557) 0.638 9.389 ( 1.152 0.000 -0.274) 1.184 9.407 ( 0.734 0.000 0.134) 0.746 9.426 ( 1.484 0.000 -0.372) 1.530 11.967 ( 0.356 0.000 0.190) 0.404 11.975 ( 0.860 0.000 -0.056) 0.862 12.060 ( -1.403 0.000 -0.258) 1.426 12.067 ( -1.308 0.000 0.098) 1.311 12.194 ( 0.275 0.000 -0.187) 0.332 12.254 ( 1.610 0.000 0.864) 1.827 12.284 ( 0.202 0.000 0.705) 0.734 12.331 ( -0.177 0.000 -0.872) 0.890 12.351 ( 0.167 0.000 0.928) 0.943 12.372 ( 0.767 0.000 -2.564) 2.677 12.543 ( -0.454 0.000 -0.535) 0.701 12.586 ( -0.926 0.000 1.830) 2.051 12.675 ( 1.797 0.000 -0.277) 1.818 12.704 ( 1.043 0.000 -0.658) 1.233 13.011 ( -1.421 0.000 0.584) 1.536 13.130 ( 0.084 0.000 -0.367) 0.376======================= Grid point 53 (24/69) =======================q-point: (-0.11 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( -14.297 0.000 11.350) 18.254 0.439 ( -13.768 0.000 14.696) 20.138 0.718 ( -36.254 0.000 3.243) 36.399 1.095 ( -16.604 0.000 -2.515) 16.794 1.346 ( 6.752 0.000 -5.161) 8.498 1.393 ( -5.849 0.000 -7.775) 9.730 1.527 ( -3.482 0.000 1.375) 3.743 1.567 ( -2.520 0.000 1.684) 3.031 1.652 ( -4.185 0.000 3.398) 5.391 1.685 ( 1.954 0.000 -2.436) 3.123 1.948 ( -2.822 0.000 0.632) 2.892 1.962 ( -2.811 0.000 -2.294) 3.628 2.654 ( 6.103 0.000 2.176) 6.480 2.719 ( 6.069 0.000 -0.743) 6.114 2.809 ( -1.409 0.000 1.503) 2.060 2.900 ( 0.205 0.000 -1.588) 1.601 3.627 ( -0.680 0.000 0.947) 1.166 3.850 ( 2.558 0.000 -5.971) 6.496 3.868 ( -0.699 0.000 0.309) 0.764 4.027 ( 0.310 0.000 -2.788) 2.805 4.610 ( -4.741 0.000 12.028) 12.929 4.966 ( 1.749 0.000 4.536) 4.861 5.169 ( -1.173 0.000 2.836) 3.069 5.256 ( -3.288 0.000 2.068) 3.884 5.373 ( -1.679 0.000 -1.087) 2.000 5.390 ( 4.841 0.000 -2.796) 5.591 5.442 ( 5.308 0.000 -2.645) 5.930 5.444 ( 3.608 0.000 -0.042) 3.608 5.527 ( 5.515 0.000 -10.347) 11.724 5.527 ( -0.427 0.000 -5.716) 5.732 5.753 ( -1.771 0.000 4.155) 4.517 5.943 ( -0.318 0.000 -0.436) 0.539 6.161 ( -3.749 0.000 7.728) 8.589 6.287 ( -3.218 0.000 -0.218) 3.225 6.301 ( -3.117 0.000 0.142) 3.120 6.345 ( 4.251 0.000 0.794) 4.324 6.403 ( 9.027 0.000 0.632) 9.049 6.422 ( 4.096 0.000 0.830) 4.179 6.460 ( 0.823 0.000 -1.956) 2.122 6.508 ( 1.161 0.000 -0.885) 1.460 6.749 ( -7.713 0.000 0.606) 7.737 6.768 ( -9.452 0.000 -0.077) 9.452 7.192 ( 2.831 0.000 0.342) 2.852 7.238 ( 1.835 0.000 0.078) 1.836 7.295 ( -0.112 0.000 0.594) 0.604 7.378 ( -0.168 0.000 -0.774) 0.792 7.628 ( 2.744 0.000 0.307) 2.761 7.669 ( 3.432 0.000 -0.908) 3.550 7.913 ( 0.199 0.000 0.325) 0.381 7.950 ( 0.408 0.000 -0.512) 0.654 7.978 ( -0.881 0.000 0.663) 1.103 8.008 ( 0.767 0.000 -0.322) 0.832 8.325 ( 1.834 0.000 0.122) 1.838 8.351 ( -0.091 0.000 -0.861) 0.865 8.395 ( -1.234 0.000 1.133) 1.675 8.404 ( -1.308 0.000 0.491) 1.398 8.419 ( -1.016 0.000 -0.840) 1.318 8.448 ( -0.812 0.000 -0.012) 0.812 8.455 ( -1.823 0.000 0.894) 2.030 8.503 ( -0.266 0.000 0.340) 0.432 8.535 ( -0.172 0.000 -0.604) 0.628 8.554 ( 0.360 0.000 -0.825) 0.900 8.626 ( -0.041 0.000 0.639) 0.640 8.675 ( 0.215 0.000 -0.409) 0.462 8.694 ( -1.253 0.000 0.196) 1.268 8.700 ( -0.961 0.000 0.019) 0.961 8.773 ( 0.840 0.000 -0.248) 0.875 8.794 ( 0.299 0.000 -0.162) 0.341 8.880 ( -0.479 0.000 0.256) 0.543 8.884 ( -0.169 0.000 -0.124) 0.210 8.964 ( 1.951 0.000 1.100) 2.239 8.967 ( 2.241 0.000 -0.699) 2.348 9.011 ( -1.055 0.000 0.086) 1.059 9.050 ( 0.677 0.000 -0.229) 0.715 9.128 ( -5.352 0.000 0.323) 5.362 9.186 ( -5.283 0.000 -0.447) 5.302 9.348 ( 0.193 0.000 0.594) 0.625 9.401 ( 0.560 0.000 -0.399) 0.688 9.421 ( 0.585 0.000 0.205) 0.620 9.445 ( 0.941 0.000 -0.409) 1.026 11.975 ( 0.245 0.000 0.268) 0.363 11.987 ( 0.713 0.000 -0.541) 0.895 12.036 ( -0.946 0.000 -0.265) 0.983 12.042 ( -1.523 0.000 -0.101) 1.526 12.200 ( 0.356 0.000 0.212) 0.414 12.280 ( 0.554 0.000 0.455) 0.717 12.287 ( -0.258 0.000 0.498) 0.561 12.328 ( 0.409 0.000 -0.536) 0.674 12.351 ( -0.927 0.000 -0.377) 1.001 12.367 ( 0.928 0.000 -2.439) 2.610 12.535 ( -0.003 0.000 0.448) 0.449 12.581 ( -1.133 0.000 1.874) 2.190 12.696 ( 1.178 0.000 -1.119) 1.625 12.718 ( 0.951 0.000 -0.638) 1.146 12.998 ( -0.854 0.000 1.317) 1.570 13.125 ( -0.105 0.000 -0.709) 0.717======================= Grid point 54 (25/69) =======================q-point: ( 0.00 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.277 ( -2.247 12.561 0.615) 12.775 0.413 ( 6.285 11.995 6.319) 14.944 0.746 ( -2.926 -6.353 -4.614) 8.379 0.782 ( -6.087 17.727 15.058) 24.043 1.142 ( 5.595 -14.083 -10.180) 18.256 1.318 ( -2.883 -3.446 -1.108) 4.628 1.523 ( 1.117 0.310 -1.388) 1.809 1.638 ( -0.227 -2.324 -2.204) 3.211 1.676 ( -0.502 5.811 3.730) 6.923 1.705 ( 1.803 3.027 1.664) 3.896 1.877 ( 0.613 -3.114 -2.439) 4.003 1.896 ( -0.152 -2.658 0.223) 2.671 2.709 ( -0.430 0.351 -1.048) 1.186 2.767 ( 0.864 -1.163 -1.594) 2.155 2.821 ( -0.941 2.150 1.783) 2.947 2.899 ( 0.730 -0.469 0.141) 0.879 3.651 ( -1.040 2.257 2.556) 3.564 3.784 ( -0.173 -2.528 0.993) 2.721 3.909 ( 0.391 0.690 -0.513) 0.944 3.983 ( -0.173 -2.455 -1.238) 2.755 4.671 ( -0.997 6.444 1.839) 6.775 5.132 ( -1.811 8.417 7.034) 11.118 5.162 ( -0.049 0.547 0.104) 0.559 5.216 ( 2.087 -11.352 -10.335) 15.493 5.295 ( -0.219 1.047 0.590) 1.222 5.315 ( 0.035 -0.784 -0.558) 0.964 5.421 ( 1.303 -1.418 -0.681) 2.043 5.489 ( -0.245 -0.053 0.689) 0.733 5.522 ( 0.493 -0.042 -0.167) 0.523 5.627 ( -2.913 -8.749 7.050) 11.608 5.699 ( 3.208 7.471 -7.522) 11.077 5.910 ( 0.270 -2.316 -1.788) 2.938 6.233 ( -1.363 3.397 2.714) 4.557 6.262 ( -0.282 -0.172 -0.104) 0.346 6.274 ( -0.582 2.550 1.632) 3.083 6.396 ( -0.250 1.678 1.086) 2.015 6.437 ( 0.858 -2.138 -1.220) 2.607 6.481 ( 0.412 -1.156 -0.634) 1.381 6.550 ( 0.816 -1.004 1.365) 1.881 6.568 ( -0.513 -1.296 0.643) 1.534 6.618 ( 1.225 -0.124 -0.146) 1.240 6.630 ( -0.448 -0.332 -0.117) 0.570 7.224 ( 0.268 0.058 0.275) 0.388 7.248 ( -0.042 -0.566 -0.307) 0.645 7.327 ( 0.093 1.434 0.235) 1.456 7.369 ( 0.101 -0.341 -0.466) 0.586 7.659 ( -0.247 0.579 0.277) 0.688 7.693 ( 0.373 -0.597 -0.602) 0.927 7.922 ( -0.120 0.380 0.319) 0.510 7.947 ( 0.095 -0.497 -0.361) 0.621 7.973 ( -0.253 0.516 0.453) 0.732 8.006 ( 0.160 -0.638 -0.298) 0.722 8.337 ( 0.035 -0.019 -0.152) 0.157 8.355 ( 0.346 -0.072 -0.076) 0.361 8.375 ( -0.528 0.042 -0.009) 0.529 8.397 ( -0.164 0.088 0.202) 0.275 8.413 ( 0.804 0.087 -0.020) 0.809 8.432 ( -0.195 -0.406 -0.396) 0.600 8.461 ( -0.265 0.941 0.760) 1.238 8.508 ( -0.145 0.490 0.326) 0.607 8.514 ( 0.068 -1.086 -0.905) 1.415 8.546 ( 0.117 -0.528 0.247) 0.594 8.641 ( -0.343 0.977 0.149) 1.046 8.675 ( 0.315 -0.455 -0.300) 0.630 8.687 ( -0.233 0.200 -0.084) 0.318 8.695 ( 0.308 0.284 0.076) 0.425 8.775 ( 0.098 -0.276 -0.037) 0.295 8.791 ( -0.138 -0.311 0.247) 0.420 8.876 ( -0.188 0.131 0.112) 0.255 8.883 ( 0.151 -0.087 -0.043) 0.179 8.991 ( -1.856 0.480 -0.072) 1.918 8.998 ( 0.492 0.050 -0.063) 0.499 9.014 ( 0.783 0.469 0.960) 1.325 9.058 ( 0.325 -0.934 0.158) 1.001 9.090 ( 1.932 0.153 -0.632) 2.038 9.095 ( -1.883 -0.045 -0.387) 1.923 9.362 ( -0.083 0.766 0.450) 0.892 9.401 ( 0.168 -0.504 -0.502) 0.731 9.434 ( -0.083 0.345 -0.121) 0.375 9.449 ( 0.141 -0.300 -0.277) 0.432 11.979 ( -0.286 0.281 0.078) 0.408 11.993 ( 0.682 -0.179 -0.321) 0.775 12.016 ( -0.560 0.048 0.227) 0.607 12.026 ( 0.279 -0.236 -0.081) 0.375 12.221 ( 0.238 1.016 0.723) 1.270 12.270 ( -0.383 -0.601 -0.329) 0.785 12.289 ( -0.348 0.245 0.430) 0.605 12.316 ( -0.765 -0.756 0.399) 1.147 12.337 ( 0.399 0.475 -0.483) 0.787 12.365 ( 1.383 -0.727 -0.956) 1.831 12.546 ( 0.263 0.459 -0.203) 0.567 12.591 ( -0.403 0.077 0.479) 0.630 12.686 ( 0.015 -0.163 -0.476) 0.503 12.726 ( -0.012 -0.400 0.290) 0.494 13.022 ( -0.058 1.683 1.047) 1.983 13.103 ( 0.051 -1.262 -0.860) 1.528======================= Grid point 55 (26/69) =======================q-point: ( 0.11 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( 10.214 8.435 3.009) 13.584 0.819 ( -1.438 12.138 12.666) 17.602 0.864 ( 13.778 -1.570 -4.650) 14.626 0.874 ( 31.556 4.180 4.178) 32.104 1.205 ( 1.815 -3.211 -8.355) 9.133 1.265 ( 9.210 -8.736 -2.629) 12.963 1.556 ( 2.371 -0.836 -0.254) 2.527 1.629 ( 1.404 -3.868 -3.507) 5.407 1.711 ( 2.071 4.573 3.479) 6.108 1.769 ( 3.378 3.049 2.617) 5.249 1.894 ( 3.475 -2.221 -2.785) 4.976 1.915 ( 2.132 -2.503 0.128) 3.290 2.638 ( -6.836 0.855 -1.073) 6.973 2.721 ( -4.694 -1.540 -1.227) 5.091 2.823 ( -0.339 2.164 1.276) 2.535 2.916 ( 0.984 -0.840 0.138) 1.301 3.653 ( -1.061 2.467 2.655) 3.776 3.790 ( -0.013 -2.194 1.002) 2.412 3.914 ( 0.612 0.818 -0.241) 1.050 3.975 ( 0.411 -2.118 -1.552) 2.658 4.664 ( -1.332 5.496 1.788) 5.931 5.095 ( -5.462 6.572 5.204) 10.005 5.162 ( 0.516 -8.052 -6.563) 10.400 5.202 ( 1.907 0.677 0.019) 2.024 5.308 ( 1.569 -1.056 -1.536) 2.436 5.341 ( 2.234 1.225 1.097) 2.774 5.411 ( -1.868 -0.959 -1.197) 2.417 5.447 ( -4.581 0.362 0.243) 4.602 5.495 ( -2.172 -1.521 -0.585) 2.715 5.642 ( -1.711 -8.339 7.127) 11.102 5.708 ( 4.003 6.147 -6.458) 9.773 5.902 ( 0.596 -2.181 -2.129) 3.106 6.233 ( -1.695 5.258 3.731) 6.666 6.290 ( 3.057 0.015 -0.280) 3.069 6.305 ( 3.042 0.554 0.558) 3.142 6.380 ( -6.150 0.294 0.869) 6.219 6.409 ( -5.738 0.790 0.726) 5.838 6.435 ( -6.839 -0.764 -0.045) 6.881 6.445 ( 0.585 -1.769 -1.154) 2.191 6.486 ( -0.144 -0.843 -0.936) 1.267 6.762 ( 8.893 -0.486 0.168) 8.908 6.771 ( 8.499 -0.653 0.277) 8.529 7.208 ( -2.419 -0.238 0.345) 2.455 7.223 ( -2.440 -0.484 -0.432) 2.525 7.326 ( -0.349 1.447 0.739) 1.662 7.369 ( 0.402 -0.296 -0.597) 0.778 7.627 ( -3.253 0.570 0.129) 3.305 7.666 ( -2.784 -0.778 -0.462) 2.927 7.920 ( -0.325 0.337 0.311) 0.562 7.943 ( -0.213 -0.464 -0.406) 0.652 7.978 ( 0.053 0.443 0.330) 0.555 8.006 ( -0.098 -0.543 -0.170) 0.577 8.328 ( -1.055 0.338 0.114) 1.114 8.355 ( -0.178 -0.240 -0.505) 0.587 8.373 ( 0.350 0.277 0.030) 0.448 8.408 ( 1.252 -0.039 -0.002) 1.253 8.433 ( 0.747 -0.377 0.057) 0.838 8.444 ( 2.127 -0.464 0.273) 2.194 8.469 ( 0.673 0.687 0.405) 1.043 8.509 ( 0.168 -0.806 -0.668) 1.060 8.513 ( 0.414 0.595 0.318) 0.792 8.550 ( 0.292 -0.051 -0.072) 0.305 8.635 ( -0.268 0.743 0.192) 0.813 8.670 ( -0.255 -0.459 -0.440) 0.685 8.699 ( 1.142 -0.012 0.178) 1.156 8.711 ( 1.266 0.001 -0.119) 1.272 8.773 ( -0.323 -0.228 0.062) 0.400 8.786 ( -0.707 -0.209 0.350) 0.816 8.877 ( 0.319 0.241 -0.034) 0.401 8.886 ( 0.130 0.079 -0.003) 0.152 8.943 ( -1.898 0.779 -0.064) 2.053 8.979 ( -2.433 -0.468 0.179) 2.484 9.021 ( 0.374 0.256 0.386) 0.595 9.037 ( -0.102 -0.342 -0.354) 0.503 9.144 ( 4.825 0.491 0.388) 4.866 9.174 ( 5.799 -0.556 -0.615) 5.858 9.361 ( -0.523 0.686 0.505) 1.000 9.396 ( -0.232 -0.504 -0.459) 0.720 9.424 ( -0.981 0.346 0.056) 1.042 9.441 ( -0.758 -0.348 -0.314) 0.891 11.971 ( -0.523 0.247 -0.057) 0.581 11.986 ( -0.884 -0.291 -0.070) 0.933 12.033 ( 1.651 0.028 -0.222) 1.666 12.042 ( 1.284 -0.222 0.078) 1.305 12.228 ( -0.345 0.718 1.114) 1.370 12.251 ( -1.169 0.038 -0.651) 1.338 12.287 ( -0.266 0.121 0.372) 0.473 12.308 ( -0.337 -0.899 -0.430) 1.052 12.341 ( 0.517 0.589 -0.352) 0.859 12.384 ( 1.282 -0.939 -0.599) 1.698 12.551 ( 0.243 -0.074 0.032) 0.256 12.592 ( 0.499 -0.331 -0.202) 0.632 12.673 ( -1.352 0.471 0.318) 1.467 12.717 ( -1.019 -0.107 -0.016) 1.025 13.035 ( 0.509 1.229 1.239) 1.818 13.099 ( 0.351 -1.062 -1.056) 1.538======================= Grid point 56 (27/69) =======================q-point: ( 0.22 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 12.753 5.777 4.138) 14.599 0.911 ( 2.306 7.146 9.708) 12.273 1.045 ( 11.004 -1.455 -3.996) 11.797 1.108 ( -2.146 1.596 -3.768) 4.620 1.400 ( 19.621 -0.120 3.357) 19.907 1.505 ( 12.953 -5.610 -5.725) 15.233 1.594 ( 2.451 -2.889 -1.183) 3.969 1.631 ( 1.883 -2.294 -2.001) 3.579 1.825 ( 7.184 2.393 2.404) 7.944 1.887 ( 10.173 2.941 -0.037) 10.590 1.959 ( 6.720 -1.380 -0.082) 6.861 1.991 ( 8.093 -1.510 -0.146) 8.234 2.469 ( -10.642 1.934 -1.010) 10.863 2.599 ( -7.469 -2.183 -1.379) 7.903 2.814 ( -2.201 2.248 1.105) 3.334 2.919 ( -1.294 -1.212 -0.163) 1.781 3.653 ( -1.254 2.631 2.792) 4.036 3.798 ( 0.034 -2.185 0.864) 2.350 3.928 ( 0.901 0.690 0.291) 1.172 3.973 ( 0.822 -1.842 -1.811) 2.711 4.656 ( -0.749 4.968 1.157) 5.155 5.051 ( -3.931 6.914 5.833) 9.863 5.139 ( 3.099 -8.621 -7.414) 11.785 5.200 ( -3.750 1.486 1.264) 4.227 5.290 ( -3.233 -1.903 -2.480) 4.497 5.373 ( -0.516 -0.036 0.157) 0.540 5.379 ( -0.171 -0.792 -0.786) 1.129 5.393 ( 1.366 2.924 2.284) 3.954 5.468 ( 0.048 -3.439 -1.065) 3.600 5.664 ( -0.665 -5.127 3.943) 6.502 5.737 ( 3.196 2.730 -3.445) 5.434 5.900 ( 1.042 -1.967 -2.237) 3.156 6.206 ( -7.467 1.579 0.952) 7.691 6.230 ( -5.234 2.165 1.959) 5.994 6.279 ( -6.013 1.975 1.025) 6.412 6.363 ( 4.093 0.628 -0.111) 4.143 6.380 ( 3.921 -0.235 -0.248) 3.935 6.415 ( 0.291 1.414 0.907) 1.705 6.451 ( 0.983 -2.014 -1.212) 2.548 6.491 ( 1.356 -1.162 -0.655) 1.903 6.893 ( 5.208 -0.067 -0.262) 5.215 6.898 ( 5.072 -0.286 0.415) 5.097 7.149 ( -3.913 -0.224 0.617) 3.968 7.162 ( -3.456 -0.472 -0.599) 3.539 7.329 ( -0.067 1.275 0.975) 1.607 7.374 ( 0.696 -0.368 -0.710) 1.060 7.559 ( -4.333 0.510 -0.018) 4.363 7.597 ( -4.521 -0.840 -0.348) 4.611 7.917 ( -0.278 0.285 0.313) 0.506 7.935 ( -0.256 -0.364 -0.403) 0.600 7.966 ( -1.747 0.390 0.110) 1.794 7.990 ( -1.848 -0.445 -0.067) 1.902 8.311 ( -0.943 0.385 0.320) 1.068 8.336 ( -0.827 -0.462 -0.705) 1.181 8.388 ( 1.057 0.906 0.072) 1.394 8.433 ( 1.416 -0.300 -0.145) 1.455 8.456 ( 1.002 -0.360 0.932) 1.415 8.480 ( 1.226 -0.830 0.252) 1.502 8.494 ( 2.418 0.464 -0.244) 2.474 8.518 ( 1.566 -0.457 -0.645) 1.754 8.525 ( 0.735 0.926 0.462) 1.269 8.556 ( 0.614 0.256 -0.315) 0.736 8.641 ( 0.672 0.184 0.413) 0.810 8.666 ( 0.324 -0.551 -0.611) 0.884 8.718 ( 0.721 0.006 0.032) 0.722 8.734 ( 1.224 -0.398 -0.183) 1.299 8.767 ( -0.276 0.168 0.479) 0.578 8.778 ( -0.173 -0.087 0.181) 0.265 8.883 ( 0.567 0.296 -0.223) 0.678 8.894 ( 0.953 0.245 0.015) 0.984 8.935 ( 0.415 0.089 0.068) 0.430 8.949 ( -0.693 -0.222 0.050) 0.729 9.034 ( 0.574 0.219 0.233) 0.657 9.044 ( 0.639 -0.143 -0.190) 0.682 9.228 ( 4.140 0.618 0.454) 4.210 9.266 ( 4.890 -0.701 -0.555) 4.971 9.352 ( -0.861 0.654 0.521) 1.200 9.387 ( -0.450 -0.564 -0.398) 0.824 9.402 ( -1.404 0.354 0.069) 1.449 9.421 ( -1.108 -0.350 -0.220) 1.183 11.963 ( -0.338 0.112 -0.023) 0.357 11.970 ( -0.776 -0.147 -0.037) 0.791 12.059 ( 1.477 0.085 -0.181) 1.491 12.067 ( 1.407 -0.172 0.095) 1.420 12.220 ( -1.196 0.352 -0.189) 1.261 12.229 ( -1.048 0.367 0.806) 1.372 12.281 ( -0.992 0.007 0.281) 1.031 12.299 ( 0.103 -0.702 -0.635) 0.953 12.352 ( 0.954 0.612 -0.300) 1.172 12.398 ( 0.787 -0.948 -0.540) 1.345 12.553 ( 0.137 -0.048 -0.199) 0.246 12.600 ( 0.389 -0.753 -0.651) 1.069 12.647 ( -2.071 1.162 1.173) 2.648 12.698 ( -0.768 -0.208 -0.143) 0.808 13.056 ( 0.681 0.765 1.193) 1.572 13.098 ( 0.454 -0.752 -1.094) 1.403======================= Grid point 57 (28/69) =======================q-point: ( 0.33 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 6.586 4.938 5.601) 9.956 1.017 ( 4.122 3.893 -0.446) 5.687 1.090 ( 5.499 2.889 3.172) 6.975 1.248 ( 12.608 0.594 -1.977) 12.776 1.535 ( -1.293 -4.025 -1.255) 4.410 1.578 ( 3.439 -2.661 -5.867) 7.303 1.640 ( 1.460 -4.291 0.298) 4.543 1.688 ( 2.898 -2.602 3.013) 4.924 1.931 ( 3.128 1.103 1.533) 3.654 1.967 ( 2.198 2.020 -3.220) 4.392 2.201 ( 10.028 1.966 2.656) 10.558 2.242 ( 15.002 2.259 -1.859) 15.285 2.316 ( 1.972 -0.204 -0.557) 2.059 2.460 ( -6.269 -2.777 -2.181) 7.196 2.756 ( -5.257 2.255 1.480) 5.909 2.857 ( -5.383 -1.174 -0.554) 5.537 3.651 ( -1.413 2.648 3.021) 4.258 3.802 ( -0.343 -2.628 0.840) 2.780 3.946 ( 0.683 0.548 0.217) 0.902 3.978 ( 1.352 -1.729 -1.658) 2.751 4.656 ( -0.006 5.230 0.557) 5.260 5.049 ( -1.528 6.067 5.520) 8.343 5.111 ( -6.355 2.681 2.505) 7.339 5.139 ( 0.702 -5.926 -5.602) 8.185 5.220 ( 0.952 -5.540 -4.706) 7.331 5.386 ( 1.081 0.788 0.450) 1.412 5.393 ( 1.873 -2.096 -1.534) 3.202 5.440 ( 1.708 1.888 2.118) 3.312 5.482 ( 2.103 -2.326 -0.016) 3.136 5.680 ( -0.401 -4.026 2.698) 4.863 5.754 ( 1.071 1.643 -2.565) 3.229 5.903 ( 1.282 -1.789 -2.224) 3.129 6.074 ( -6.524 0.970 0.127) 6.597 6.123 ( -6.269 -0.826 0.036) 6.324 6.254 ( -1.283 6.171 3.316) 7.122 6.420 ( 1.953 0.747 -0.760) 2.225 6.434 ( 3.078 -0.047 0.050) 3.079 6.446 ( 2.351 0.632 0.784) 2.558 6.462 ( 1.377 -1.563 -1.077) 2.345 6.525 ( 2.627 -1.408 -0.307) 2.996 6.894 ( -5.107 0.063 -0.240) 5.113 6.897 ( -5.654 -0.067 0.222) 5.659 7.146 ( 3.527 -0.347 0.908) 3.658 7.151 ( 3.649 -0.430 -0.749) 3.750 7.337 ( 0.048 1.244 0.983) 1.586 7.382 ( 0.767 -0.361 -0.782) 1.153 7.477 ( -4.959 0.346 -0.285) 4.980 7.507 ( -5.545 -0.699 -0.011) 5.589 7.914 ( -0.588 0.210 0.367) 0.725 7.924 ( -2.202 0.254 -0.060) 2.217 7.931 ( -0.335 -0.230 -0.178) 0.444 7.945 ( -2.569 -0.328 -0.195) 2.597 8.301 ( -0.550 0.461 0.400) 0.822 8.327 ( 0.278 -0.349 -0.494) 0.666 8.404 ( 0.510 0.935 0.251) 1.094 8.449 ( 0.561 -0.473 -0.334) 0.807 8.474 ( 0.412 0.062 0.706) 0.819 8.493 ( 0.409 -0.652 -0.108) 0.777 8.533 ( 0.879 0.067 -0.505) 1.016 8.541 ( 2.034 -0.159 0.453) 2.090 8.563 ( 2.871 0.531 0.050) 2.920 8.569 ( 1.436 0.416 -0.418) 1.552 8.659 ( 0.820 -0.386 0.332) 0.965 8.671 ( 0.634 -0.599 -0.529) 1.020 8.725 ( 0.257 0.175 0.033) 0.313 8.735 ( -0.563 -0.199 -0.034) 0.598 8.781 ( 0.376 0.199 -0.059) 0.429 8.786 ( 1.369 0.046 0.471) 1.449 8.901 ( 1.516 0.133 0.025) 1.522 8.917 ( 1.606 -0.293 -0.209) 1.646 8.947 ( 1.072 0.199 0.210) 1.111 8.957 ( 1.118 0.089 0.029) 1.122 9.038 ( -0.375 0.190 0.151) 0.447 9.047 ( -0.327 -0.128 -0.102) 0.366 9.288 ( 2.011 0.610 0.373) 2.134 9.320 ( 0.872 -0.348 -0.314) 0.990 9.348 ( 0.599 0.375 0.281) 0.761 9.373 ( -0.845 0.124 0.174) 0.872 9.385 ( -0.275 -0.196 -0.389) 0.515 9.406 ( -0.221 -0.533 -0.199) 0.610 11.958 ( -0.310 0.000 0.029) 0.311 11.959 ( -0.400 -0.002 0.022) 0.401 12.081 ( 1.099 0.143 -0.061) 1.110 12.090 ( 1.075 -0.159 0.057) 1.088 12.198 ( -0.910 0.531 -0.285) 1.092 12.217 ( -1.083 -0.045 0.932) 1.429 12.260 ( -1.192 0.364 0.085) 1.249 12.303 ( 0.426 -1.158 -0.067) 1.235 12.368 ( 1.198 0.547 -0.633) 1.461 12.404 ( 0.361 -0.679 -0.696) 1.037 12.552 ( -0.088 0.050 -0.278) 0.296 12.587 ( -1.036 -0.538 -0.763) 1.395 12.624 ( -1.655 1.783 1.571) 2.896 12.696 ( 0.556 -0.971 -0.095) 1.123 13.073 ( 0.343 0.462 0.880) 1.052 13.099 ( 0.444 -0.439 -0.927) 1.118======================= Grid point 58 (29/69) =======================q-point: ( 0.44 0.25 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -2.449 6.653 2.805) 7.624 1.122 ( 4.496 5.385 3.126) 7.680 1.264 ( 10.760 -2.983 -0.796) 11.194 1.428 ( -7.478 0.408 0.028) 7.489 1.439 ( 7.239 -0.217 -0.213) 7.245 1.587 ( 1.028 -4.121 -5.031) 6.584 1.645 ( -0.749 -4.474 1.387) 4.743 1.746 ( 1.674 -3.897 3.021) 5.207 1.936 ( -1.725 4.798 -1.562) 5.332 1.972 ( -0.186 2.003 0.173) 2.019 2.192 ( 0.448 1.459 -2.876) 3.256 2.347 ( -3.128 -3.412 -2.276) 5.158 2.471 ( 10.706 2.760 0.048) 11.056 2.542 ( 10.063 -0.244 0.440) 10.076 2.667 ( -6.102 1.410 1.806) 6.518 2.739 ( -6.386 -1.098 -0.896) 6.541 3.651 ( -1.335 2.465 3.259) 4.299 3.798 ( -0.826 -3.119 0.721) 3.306 3.949 ( 0.025 0.445 -0.679) 0.812 3.997 ( 1.652 -1.781 -0.725) 2.535 4.660 ( -0.104 5.838 0.300) 5.847 5.031 ( -2.698 1.429 1.110) 3.248 5.075 ( -1.235 3.592 3.527) 5.184 5.100 ( -1.417 1.301 1.381) 2.367 5.237 ( 5.060 -10.412 -8.680) 14.469 5.397 ( -0.438 0.547 0.197) 0.728 5.410 ( 1.255 -2.294 -1.477) 3.003 5.474 ( 0.133 1.605 2.090) 2.639 5.544 ( 3.893 -0.866 0.802) 4.068 5.681 ( -3.782 -7.537 5.597) 10.121 5.738 ( 1.451 5.425 -5.621) 7.945 5.911 ( 1.446 -1.770 -1.930) 2.991 5.993 ( -2.513 0.960 0.231) 2.700 6.040 ( -2.598 -0.704 -0.501) 2.738 6.259 ( -1.253 6.093 3.504) 7.140 6.438 ( 0.945 -0.562 -1.044) 1.516 6.475 ( 1.194 -0.131 -0.189) 1.216 6.484 ( 1.568 -0.459 -0.401) 1.682 6.496 ( 1.992 0.719 0.741) 2.244 6.566 ( 1.989 -1.318 -0.418) 2.422 6.782 ( -5.050 0.034 -0.110) 5.051 6.783 ( -5.203 -0.010 0.138) 5.204 7.226 ( 3.098 -0.445 0.748) 3.218 7.239 ( 5.847 -0.702 -0.984) 5.970 7.348 ( 0.331 1.503 1.280) 2.002 7.378 ( -2.236 0.335 -0.956) 2.455 7.395 ( -2.285 -0.546 -1.032) 2.566 7.408 ( -4.398 -0.336 1.017) 4.527 7.891 ( -1.017 0.157 0.127) 1.037 7.894 ( -1.184 0.077 0.176) 1.199 7.924 ( -0.183 -0.053 0.018) 0.192 7.930 ( 0.188 -0.246 -0.114) 0.330 8.296 ( -0.373 0.638 0.373) 0.828 8.331 ( 0.355 -0.487 -0.457) 0.756 8.411 ( 0.055 0.768 0.344) 0.843 8.450 ( 0.031 -0.539 -0.554) 0.774 8.481 ( -0.082 0.324 0.314) 0.458 8.498 ( 0.245 -0.454 -0.027) 0.517 8.539 ( 0.244 0.249 -0.283) 0.449 8.562 ( 0.300 -0.583 0.171) 0.677 8.597 ( 1.302 0.350 -0.416) 1.411 8.608 ( 1.731 0.327 0.103) 1.764 8.670 ( 0.345 -0.496 0.216) 0.642 8.680 ( 0.731 -0.542 -0.105) 0.916 8.725 ( -0.463 0.215 -0.074) 0.516 8.727 ( -0.288 0.179 0.017) 0.340 8.786 ( 0.231 0.433 0.150) 0.513 8.805 ( 0.322 -0.238 0.120) 0.418 8.928 ( 0.943 -0.021 0.272) 0.981 8.938 ( 0.850 -0.471 -0.057) 0.973 8.980 ( 2.210 0.233 0.077) 2.223 8.983 ( 1.831 0.225 0.007) 1.845 9.020 ( -1.620 0.154 0.078) 1.629 9.027 ( -1.835 -0.095 -0.058) 1.839 9.303 ( -0.044 0.346 0.141) 0.376 9.315 ( -0.438 0.159 0.058) 0.470 9.359 ( 0.153 0.198 0.103) 0.271 9.368 ( -0.131 0.685 0.434) 0.821 9.382 ( 0.229 -0.497 -0.416) 0.687 9.411 ( 0.652 -0.832 -0.468) 1.156 11.953 ( -0.174 0.076 0.090) 0.210 11.956 ( -0.058 -0.042 0.019) 0.074 12.095 ( 0.463 0.142 0.063) 0.489 12.103 ( 0.376 -0.136 -0.000) 0.400 12.187 ( -0.166 0.470 0.074) 0.504 12.205 ( -0.819 -0.206 0.415) 0.941 12.248 ( -0.370 0.676 0.565) 0.955 12.309 ( 0.292 -1.676 0.159) 1.709 12.381 ( 0.956 0.522 -1.234) 1.645 12.399 ( -0.302 -0.181 -0.975) 1.037 12.548 ( -0.231 0.030 0.021) 0.234 12.567 ( -0.226 -0.370 -0.536) 0.690 12.616 ( -0.744 1.950 1.745) 2.721 12.704 ( 0.266 -1.407 -0.353) 1.475 13.079 ( -0.288 0.452 0.422) 0.682 13.101 ( 0.538 -0.354 -0.583) 0.869======================= Grid point 59 (30/69) =======================q-point: (-0.44 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( -3.778 6.167 2.718) 7.726 1.153 ( -5.878 2.353 1.651) 6.543 1.227 ( -8.535 -1.217 -0.699) 8.650 1.423 ( 3.237 1.318 1.442) 3.781 1.506 ( -3.272 -4.009 0.714) 5.224 1.569 ( 4.340 -1.488 -2.564) 5.256 1.646 ( -0.264 -2.625 0.414) 2.671 1.780 ( -0.093 -1.968 -0.307) 1.994 1.907 ( -2.444 3.645 0.252) 4.395 1.953 ( 0.613 2.420 -0.885) 2.649 2.193 ( 1.631 0.141 -1.975) 2.565 2.321 ( 2.076 -3.580 -3.302) 5.294 2.527 ( -9.785 1.444 -0.390) 9.899 2.545 ( -9.645 1.067 1.785) 9.867 2.629 ( 7.297 2.381 0.685) 7.706 2.744 ( 6.285 -1.587 -0.441) 6.497 3.654 ( -1.166 2.152 3.348) 4.147 3.787 ( -0.770 -3.388 0.403) 3.498 3.939 ( -0.502 0.576 -0.763) 1.080 4.017 ( 1.002 -2.164 -0.311) 2.405 4.657 ( -0.334 6.287 0.110) 6.297 5.026 ( 1.006 1.696 1.291) 2.357 5.081 ( -0.614 2.874 2.723) 4.006 5.109 ( 0.336 2.296 2.628) 3.506 5.246 ( 3.629 -10.706 -8.897) 14.386 5.372 ( -2.037 -0.094 -0.460) 2.090 5.414 ( 0.448 -2.366 -1.643) 2.916 5.469 ( -2.331 3.088 1.860) 4.293 5.568 ( -3.258 -1.825 0.171) 3.738 5.646 ( -3.324 -8.270 6.841) 11.236 5.745 ( 3.903 6.599 -6.155) 9.831 5.925 ( 1.342 -1.853 -1.244) 2.604 5.996 ( 2.593 0.727 0.406) 2.724 6.034 ( 2.420 -0.595 -0.741) 2.599 6.261 ( -1.594 5.889 3.647) 7.108 6.440 ( 0.147 -0.870 -1.079) 1.394 6.473 ( -1.604 -0.092 -0.177) 1.616 6.477 ( -1.583 -0.916 -0.445) 1.883 6.506 ( -1.625 0.986 0.958) 2.129 6.559 ( -2.091 -0.775 -0.699) 2.337 6.779 ( 4.797 0.117 -0.037) 4.799 6.787 ( 5.474 -0.182 0.092) 5.478 7.204 ( -5.079 0.613 -0.190) 5.119 7.265 ( -4.418 -1.577 0.068) 4.692 7.324 ( -1.114 0.570 0.225) 1.271 7.362 ( 2.190 -1.209 -0.743) 2.609 7.414 ( 4.399 0.725 0.678) 4.510 7.424 ( 3.370 0.711 -0.008) 3.444 7.892 ( 0.939 0.062 0.185) 0.959 7.896 ( 1.191 0.084 0.158) 1.204 7.923 ( 0.071 0.053 0.000) 0.089 7.934 ( 0.303 -0.211 -0.018) 0.370 8.294 ( -0.135 0.665 0.297) 0.741 8.332 ( 0.216 -0.672 -0.407) 0.815 8.412 ( -0.173 0.516 0.406) 0.679 8.445 ( -0.078 -0.625 -0.653) 0.908 8.477 ( -0.578 0.558 0.213) 0.831 8.500 ( 0.047 -0.314 0.017) 0.318 8.537 ( -0.309 0.465 -0.237) 0.606 8.562 ( -0.402 -0.537 0.077) 0.675 8.591 ( -1.434 -0.128 -0.388) 1.491 8.614 ( -1.174 -0.123 0.036) 1.181 8.673 ( -0.549 0.232 0.378) 0.706 8.689 ( 0.050 -0.207 0.135) 0.252 8.719 ( -0.147 0.142 -0.215) 0.297 8.723 ( 0.459 -0.055 -0.155) 0.487 8.791 ( -0.031 0.240 0.330) 0.410 8.800 ( -0.802 -0.073 -0.049) 0.807 8.929 ( -0.965 0.164 0.244) 1.009 8.944 ( -0.280 -0.396 0.119) 0.500 8.977 ( -2.612 0.024 0.050) 2.613 8.982 ( -1.886 -0.135 -0.041) 1.892 9.020 ( 1.590 0.283 0.072) 1.617 9.027 ( 1.830 0.049 -0.051) 1.832 9.303 ( -0.122 0.432 0.099) 0.460 9.315 ( 0.333 0.183 0.098) 0.392 9.358 ( -0.200 0.167 0.011) 0.261 9.369 ( -0.320 0.577 0.479) 0.816 9.383 ( 0.297 -0.510 -0.320) 0.672 9.409 ( -0.412 -0.789 -0.549) 1.046 11.954 ( 0.185 0.071 0.113) 0.228 11.957 ( 0.120 -0.038 0.029) 0.129 12.097 ( -0.347 0.089 0.142) 0.385 12.102 ( -0.514 -0.065 -0.072) 0.523 12.194 ( 0.698 0.185 0.385) 0.818 12.197 ( -0.220 0.011 0.019) 0.221 12.256 ( 0.479 0.664 0.908) 1.223 12.316 ( 0.276 -1.651 0.374) 1.715 12.376 ( -0.568 0.382 -1.676) 1.811 12.383 ( -0.074 0.073 -1.057) 1.062 12.550 ( 0.646 0.417 -0.165) 0.786 12.576 ( 1.365 -0.397 -0.297) 1.452 12.620 ( -0.452 1.406 2.019) 2.501 12.697 ( -0.594 -1.394 -0.605) 1.632 13.070 ( -0.865 0.781 0.060) 1.167 13.108 ( 0.579 -0.602 -0.259) 0.874======================= Grid point 60 (31/69) =======================q-point: (-0.33 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.798 ( -8.398 5.561 2.693) 10.426 0.956 ( -12.163 2.155 1.189) 12.410 1.154 ( -3.294 0.744 2.166) 4.012 1.324 ( -9.134 -4.937 -0.375) 10.390 1.524 ( -0.709 -1.988 -0.454) 2.159 1.606 ( 0.353 -0.160 -0.247) 0.459 1.634 ( -0.415 1.112 -0.807) 1.435 1.740 ( -2.846 0.451 -2.050) 3.537 1.825 ( -5.532 3.964 -0.405) 6.818 1.977 ( 0.636 -1.838 -1.206) 2.289 2.189 ( -9.294 -2.744 -0.434) 9.700 2.200 ( -15.362 -2.417 0.898) 15.576 2.392 ( -0.905 3.898 0.073) 4.002 2.459 ( 5.707 0.231 -2.200) 6.120 2.754 ( 5.297 1.931 1.593) 5.859 2.843 ( 4.910 -1.252 -0.945) 5.154 3.658 ( -1.300 1.942 3.138) 3.913 3.780 ( -0.218 -3.409 0.150) 3.419 3.923 ( -0.801 0.581 -0.425) 1.077 4.024 ( -0.020 -2.657 -0.158) 2.661 4.654 ( 0.073 6.602 -0.080) 6.603 5.042 ( -3.320 6.450 5.530) 9.122 5.110 ( 2.983 2.782 2.437) 4.751 5.162 ( 4.898 -3.664 -3.356) 6.977 5.247 ( 4.252 -8.359 -6.704) 11.528 5.337 ( -0.910 -0.659 -0.530) 1.242 5.398 ( -0.612 -2.273 -2.219) 3.235 5.430 ( -3.425 3.777 2.182) 5.546 5.495 ( -4.384 -3.493 1.290) 5.751 5.646 ( -2.043 -5.655 4.149) 7.305 5.759 ( 2.028 5.309 -4.854) 7.474 5.932 ( 0.352 -1.982 -0.853) 2.186 6.082 ( 6.403 0.422 0.630) 6.448 6.106 ( 6.105 -0.404 -0.765) 6.166 6.259 ( -1.722 5.675 3.777) 7.031 6.416 ( -2.317 0.134 -0.406) 2.356 6.432 ( -2.680 -0.461 0.075) 2.720 6.449 ( -0.437 -1.881 -1.398) 2.384 6.470 ( -2.981 1.030 0.774) 3.248 6.516 ( -1.772 -0.519 -0.664) 1.962 6.890 ( 5.360 0.222 -0.129) 5.366 6.902 ( 5.226 -0.217 0.122) 5.232 7.112 ( -3.642 0.975 -0.249) 3.778 7.178 ( -3.889 -1.374 0.281) 4.134 7.316 ( -0.440 0.843 0.305) 0.999 7.377 ( 0.448 -1.511 -0.635) 1.699 7.498 ( 4.242 0.569 0.482) 4.307 7.508 ( 5.456 0.372 -0.290) 5.476 7.910 ( 0.303 0.454 0.186) 0.577 7.932 ( 2.290 0.217 0.256) 2.314 7.935 ( 1.061 -0.497 -0.063) 1.173 7.945 ( 1.860 -0.169 -0.258) 1.885 8.296 ( 0.152 0.629 0.191) 0.675 8.335 ( 0.436 -0.771 -0.254) 0.921 8.410 ( -0.484 0.238 0.455) 0.705 8.437 ( -0.256 -0.672 -0.628) 0.955 8.464 ( -1.137 0.787 0.320) 1.419 8.499 ( -0.310 -0.407 0.123) 0.526 8.520 ( -1.555 0.923 -0.230) 1.823 8.552 ( -0.851 -0.607 0.365) 1.107 8.554 ( -2.041 -0.178 -0.383) 2.084 8.578 ( -2.405 -0.295 -0.155) 2.428 8.656 ( -1.245 0.725 0.102) 1.444 8.685 ( -0.425 -0.450 -0.034) 0.620 8.722 ( 0.327 0.174 0.060) 0.375 8.730 ( 0.219 -0.097 -0.276) 0.366 8.777 ( -1.477 0.217 0.172) 1.503 8.790 ( -0.621 -0.074 0.208) 0.659 8.907 ( -1.342 0.192 0.111) 1.360 8.921 ( -2.178 -0.253 -0.076) 2.193 8.946 ( -0.655 -0.019 0.156) 0.673 8.955 ( -1.207 -0.219 0.032) 1.227 9.038 ( 0.199 0.267 0.116) 0.352 9.048 ( 0.507 -0.097 -0.059) 0.520 9.286 ( -2.347 0.744 0.304) 2.481 9.319 ( -0.549 -0.216 -0.236) 0.636 9.346 ( -1.010 0.338 0.142) 1.074 9.370 ( 0.595 -0.022 -0.002) 0.596 9.391 ( 0.709 -0.273 0.015) 0.760 9.403 ( 0.598 -0.451 -0.353) 0.828 11.960 ( 0.381 -0.006 0.086) 0.391 11.961 ( 0.430 -0.007 0.071) 0.436 12.086 ( -1.174 0.008 -0.125) 1.181 12.086 ( -1.042 -0.009 0.124) 1.049 12.197 ( 0.254 0.373 -0.152) 0.476 12.216 ( 1.329 -0.238 0.558) 1.461 12.274 ( 0.725 0.595 0.921) 1.315 12.326 ( 0.331 -1.263 0.748) 1.505 12.351 ( -0.793 0.361 -1.214) 1.494 12.373 ( 0.053 -0.390 -1.668) 1.713 12.563 ( 0.891 1.136 -0.769) 1.636 12.599 ( 0.619 0.878 0.749) 1.310 12.632 ( 0.710 -0.492 1.029) 1.344 12.681 ( -0.437 -1.490 -0.371) 1.597 13.052 ( -1.137 1.332 0.016) 1.751 13.115 ( 0.318 -0.975 -0.162) 1.038======================= Grid point 61 (32/69) =======================q-point: (-0.22 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( -12.929 7.512 0.627) 14.966 0.795 ( -10.547 8.350 7.193) 15.254 1.147 ( -0.005 -5.654 1.413) 5.828 1.177 ( -4.983 -8.428 -3.715) 10.472 1.327 ( -21.876 4.960 0.683) 22.442 1.574 ( -6.627 -2.550 -2.137) 7.415 1.625 ( -0.897 0.826 -0.733) 1.423 1.673 ( -1.496 1.077 -2.603) 3.189 1.726 ( -6.121 3.319 1.317) 7.087 1.827 ( -17.414 2.998 -0.147) 17.671 1.953 ( -1.945 -3.457 -1.517) 4.247 2.015 ( -9.225 -4.360 1.196) 10.273 2.514 ( 9.775 2.416 0.492) 10.081 2.587 ( 9.193 -0.381 -2.234) 9.468 2.823 ( 1.097 1.516 1.711) 2.535 2.891 ( 1.519 -0.954 -1.060) 2.084 3.655 ( -1.462 1.994 2.746) 3.696 3.780 ( -0.016 -3.187 0.220) 3.195 3.909 ( -0.423 0.421 -0.125) 0.610 4.015 ( -0.698 -2.985 -0.325) 3.082 4.660 ( 0.520 6.979 0.211) 7.002 5.033 ( -2.118 7.872 6.644) 10.516 5.175 ( 1.399 1.850 1.187) 2.606 5.198 ( 5.370 -9.550 -8.850) 14.084 5.312 ( 4.670 -3.525 -2.283) 6.281 5.355 ( 3.585 0.059 0.217) 3.592 5.368 ( -0.709 -1.018 -1.063) 1.634 5.397 ( -1.133 1.893 1.363) 2.593 5.440 ( -2.915 -2.183 1.391) 3.899 5.639 ( -2.141 -5.703 3.911) 7.239 5.742 ( 0.450 5.300 -4.818) 7.177 5.927 ( -0.061 -2.161 -0.913) 2.347 6.212 ( 5.629 1.409 1.627) 6.026 6.224 ( 7.780 0.064 -0.511) 7.797 6.267 ( 1.173 4.252 2.921) 5.291 6.363 ( -3.402 -0.176 -0.576) 3.455 6.371 ( -4.202 -0.280 0.216) 4.217 6.426 ( -1.735 1.334 0.791) 2.327 6.441 ( 0.296 -1.872 -1.581) 2.468 6.494 ( -0.277 -0.936 -0.601) 1.147 6.879 ( -5.725 0.417 -0.159) 5.742 6.901 ( -5.383 -0.344 0.143) 5.396 7.129 ( 4.418 0.677 -0.089) 4.471 7.177 ( 3.085 -1.047 0.024) 3.258 7.313 ( -0.216 1.246 0.426) 1.334 7.376 ( 0.002 -1.076 -0.460) 1.170 7.571 ( 3.711 0.542 0.400) 3.771 7.595 ( 4.752 -0.287 -0.562) 4.794 7.914 ( 0.138 0.522 0.195) 0.574 7.941 ( 0.375 -0.418 -0.238) 0.610 7.973 ( 1.416 0.128 0.413) 1.481 7.984 ( 1.982 -0.242 -0.327) 2.023 8.304 ( 0.867 0.594 0.057) 1.053 8.343 ( 0.705 -0.767 -0.376) 1.107 8.401 ( -0.945 -0.014 0.434) 1.039 8.424 ( -0.734 -0.581 -0.552) 1.087 8.445 ( -1.278 0.730 0.510) 1.558 8.480 ( -2.459 -0.331 0.130) 2.484 8.490 ( -1.189 0.717 0.001) 1.388 8.519 ( -1.466 0.620 0.313) 1.623 8.542 ( -0.657 -0.382 -0.483) 0.901 8.544 ( -0.876 -1.000 -0.056) 1.331 8.640 ( -0.535 0.934 0.141) 1.086 8.677 ( -0.382 -0.470 -0.206) 0.640 8.720 ( -0.878 0.291 0.175) 0.941 8.721 ( -0.866 0.175 -0.410) 0.974 8.763 ( -0.080 0.122 0.286) 0.321 8.783 ( -0.051 -0.387 0.232) 0.454 8.890 ( -0.665 0.023 -0.052) 0.668 8.892 ( -0.861 0.023 -0.023) 0.861 8.941 ( -0.037 -0.176 0.280) 0.333 8.945 ( 0.261 -0.238 -0.124) 0.375 9.031 ( -0.835 0.315 0.120) 0.901 9.047 ( -0.372 -0.252 -0.045) 0.452 9.226 ( -4.586 0.831 0.338) 4.673 9.268 ( -4.277 -0.693 -0.466) 4.358 9.348 ( 0.427 0.815 0.363) 0.989 9.385 ( 0.964 -0.410 -0.314) 1.094 9.408 ( 1.055 0.101 0.165) 1.072 9.422 ( 1.455 -0.326 -0.251) 1.512 11.968 ( 0.414 0.041 0.134) 0.438 11.972 ( 0.703 -0.154 -0.045) 0.721 12.061 ( -1.440 0.044 -0.190) 1.453 12.065 ( -1.409 -0.133 0.081) 1.417 12.203 ( 0.462 0.754 -0.105) 0.891 12.245 ( 1.387 -0.732 0.567) 1.667 12.290 ( 0.193 0.587 0.829) 1.034 12.332 ( -0.519 -0.400 -0.092) 0.662 12.339 ( 0.331 -0.427 0.082) 0.546 12.362 ( 0.350 -0.762 -1.977) 2.148 12.561 ( -0.138 1.541 -1.218) 1.969 12.605 ( -1.052 1.437 2.053) 2.718 12.657 ( 1.931 -1.511 -1.249) 2.752 12.687 ( 0.916 -1.336 0.721) 1.773 13.034 ( -1.054 1.806 0.299) 2.112 13.116 ( -0.055 -1.237 -0.303) 1.275======================= Grid point 62 (33/69) =======================q-point: (-0.11 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.406 ( -9.418 11.931 -0.040) 15.201 0.640 ( -18.146 8.462 5.874) 20.866 0.888 ( -22.500 12.850 8.101) 27.148 1.004 ( -16.146 -7.195 -0.792) 17.694 1.154 ( 0.915 -13.366 -6.592) 14.932 1.360 ( -4.872 -3.759 -2.549) 6.661 1.564 ( -3.322 1.873 -2.499) 4.559 1.658 ( 0.118 -0.106 -0.460) 0.487 1.670 ( -1.867 4.427 1.795) 5.129 1.695 ( -2.634 4.025 1.495) 5.037 1.906 ( -1.646 -3.452 -2.118) 4.372 1.920 ( -3.031 -3.597 0.396) 4.720 2.665 ( 6.201 0.998 -0.240) 6.285 2.714 ( 6.380 -0.568 -1.780) 6.648 2.829 ( -1.331 1.631 1.776) 2.754 2.893 ( 0.028 -0.674 -0.548) 0.869 3.651 ( -1.233 2.129 2.552) 3.545 3.781 ( -0.197 -2.885 0.641) 2.962 3.906 ( 0.203 0.460 -0.265) 0.568 3.999 ( -0.658 -2.841 -0.786) 3.020 4.670 ( -0.105 7.067 1.142) 7.159 5.075 ( 0.971 7.457 6.073) 9.665 5.178 ( -1.331 1.986 1.250) 2.698 5.227 ( 5.826 -11.901 -10.889) 17.151 5.313 ( -1.269 -1.165 -0.702) 1.860 5.338 ( -2.327 1.250 0.926) 2.799 5.405 ( -0.250 -2.230 0.739) 2.362 5.445 ( 4.468 0.122 0.327) 4.482 5.469 ( 4.892 0.240 0.140) 4.900 5.631 ( -2.749 -7.406 5.405) 9.572 5.712 ( 1.229 6.789 -6.250) 9.309 5.918 ( 0.036 -2.303 -1.294) 2.641 6.242 ( -1.915 4.724 3.940) 6.442 6.296 ( -2.939 0.901 0.058) 3.075 6.300 ( -3.451 -0.117 0.164) 3.456 6.359 ( 6.029 1.067 0.511) 6.144 6.403 ( 9.277 -0.127 0.765) 9.309 6.422 ( 1.525 -0.108 -0.153) 1.536 6.442 ( 1.435 -1.176 -0.961) 2.090 6.493 ( 0.856 -1.401 -0.755) 1.807 6.750 ( -8.247 0.165 0.355) 8.256 6.765 ( -9.284 -0.301 0.018) 9.289 7.197 ( 2.726 0.450 0.046) 2.763 7.230 ( 2.241 -0.711 -0.151) 2.356 7.317 ( 0.406 1.561 0.436) 1.670 7.372 ( -0.049 -0.617 -0.396) 0.735 7.632 ( 2.713 0.476 0.327) 2.774 7.663 ( 3.317 -0.543 -0.665) 3.427 7.919 ( 0.169 0.462 0.267) 0.560 7.946 ( 0.342 -0.453 -0.332) 0.657 7.981 ( -0.651 0.331 0.433) 0.849 8.003 ( 0.557 -0.419 -0.260) 0.743 8.327 ( 1.333 0.197 0.060) 1.349 8.348 ( 0.283 -0.398 -0.450) 0.664 8.386 ( -0.921 -0.053 0.282) 0.965 8.406 ( -0.838 -0.137 -0.187) 0.870 8.426 ( -1.410 0.384 -0.065) 1.463 8.443 ( -1.228 -0.326 0.124) 1.277 8.469 ( -1.201 1.017 0.502) 1.651 8.509 ( -0.306 0.567 0.412) 0.765 8.523 ( -0.344 -1.098 -1.136) 1.617 8.542 ( -0.017 -0.719 0.412) 0.829 8.640 ( 0.166 0.973 0.219) 1.011 8.672 ( 0.148 -0.291 -0.351) 0.480 8.700 ( -1.022 0.296 -0.276) 1.099 8.703 ( -1.011 0.301 0.239) 1.081 8.770 ( 0.485 -0.093 0.005) 0.494 8.789 ( 0.212 -0.469 0.306) 0.599 8.881 ( -0.438 0.046 0.134) 0.460 8.884 ( -0.206 -0.034 -0.121) 0.241 8.963 ( 2.194 -0.069 0.731) 2.313 8.965 ( 2.341 -0.163 -0.498) 2.399 9.016 ( -0.917 0.442 0.115) 1.024 9.043 ( 0.217 -0.572 -0.087) 0.618 9.139 ( -5.167 0.891 0.144) 5.245 9.179 ( -5.211 -0.603 -0.380) 5.260 9.357 ( 0.269 0.821 0.379) 0.944 9.397 ( 0.643 -0.494 -0.372) 0.892 9.427 ( 0.856 0.314 0.028) 0.913 9.442 ( 0.932 -0.293 -0.290) 1.019 11.976 ( 0.376 0.112 0.177) 0.431 11.983 ( 0.640 -0.226 -0.305) 0.744 12.036 ( -1.124 -0.043 -0.205) 1.144 12.039 ( -1.566 -0.192 0.070) 1.580 12.211 ( 0.452 1.007 0.216) 1.125 12.268 ( 0.634 -0.976 0.274) 1.196 12.293 ( -0.425 0.420 0.628) 0.867 12.325 ( -0.179 -0.621 0.020) 0.647 12.339 ( -0.414 -0.212 -0.075) 0.471 12.357 ( 0.746 -0.656 -1.748) 2.011 12.549 ( -0.151 1.242 -0.836) 1.505 12.597 ( -1.121 0.691 1.382) 1.909 12.678 ( 1.452 -0.914 -1.130) 2.054 12.712 ( 1.009 -0.778 0.767) 1.487 13.022 ( -0.663 1.930 0.704) 2.159 13.110 ( -0.168 -1.325 -0.574) 1.454======================= Grid point 63 (34/69) =======================q-point: ( 0.00 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( -2.291 -10.751 -1.652) 11.116 0.556 ( -2.291 10.751 -1.652) 11.116 0.763 ( 6.246 -17.842 -5.303) 19.633 0.763 ( 6.246 17.842 -5.303) 19.633 1.139 ( -4.195 -12.498 7.907) 15.373 1.139 ( -4.195 12.498 7.907) 15.373 1.566 ( 0.064 -3.233 -4.028) 5.165 1.566 ( 0.064 3.233 -4.028) 5.165 1.788 ( 2.385 -2.770 -2.812) 4.612 1.788 ( 2.385 2.770 -2.812) 4.612 1.810 ( -1.169 -3.574 3.178) 4.924 1.810 ( -1.169 3.574 3.178) 4.924 2.732 ( 0.612 -1.579 -2.847) 3.313 2.732 ( 0.612 1.579 -2.847) 3.313 2.872 ( -0.261 -1.969 1.606) 2.554 2.872 ( -0.261 1.969 1.606) 2.554 3.720 ( -1.650 -3.541 4.699) 6.111 3.720 ( -1.650 3.541 4.699) 6.111 3.926 ( -0.137 -1.910 0.256) 1.932 3.926 ( -0.137 1.910 0.256) 1.932 4.904 ( 2.357 -13.453 -8.475) 16.074 4.904 ( 2.357 13.453 -8.475) 16.074 5.220 ( 1.741 -3.391 -2.274) 4.439 5.220 ( 1.741 3.391 -2.274) 4.439 5.364 ( 1.045 -6.135 5.193) 8.105 5.364 ( 1.045 6.135 5.193) 8.105 5.392 ( -5.013 -6.655 4.829) 9.630 5.392 ( -5.013 6.655 4.829) 9.630 5.517 ( -0.217 -0.408 0.821) 0.942 5.517 ( -0.217 0.408 0.821) 0.942 5.832 ( 1.386 -4.721 -4.043) 6.368 5.832 ( 1.386 4.721 -4.043) 6.368 6.257 ( -0.056 -0.347 -0.011) 0.351 6.257 ( -0.056 0.347 -0.011) 0.351 6.369 ( -0.089 -4.127 0.571) 4.168 6.369 ( -0.089 4.127 0.571) 4.168 6.442 ( -0.373 -2.212 0.321) 2.266 6.442 ( -0.373 2.212 0.321) 2.266 6.547 ( 1.111 -0.554 0.430) 1.314 6.547 ( 1.111 0.554 0.430) 1.314 6.621 ( -0.584 -0.375 0.096) 0.701 6.621 ( -0.584 0.375 0.096) 0.701 7.233 ( 0.110 -0.660 -0.247) 0.713 7.233 ( 0.110 0.660 -0.247) 0.713 7.354 ( 0.004 -1.007 0.203) 1.027 7.354 ( 0.004 1.007 0.203) 1.027 7.675 ( 0.008 -0.865 -0.090) 0.870 7.675 ( 0.008 0.865 -0.090) 0.870 7.934 ( -0.102 -0.664 0.081) 0.677 7.934 ( -0.102 0.664 0.081) 0.677 7.989 ( 0.024 -0.841 -0.084) 0.845 7.989 ( 0.024 0.841 -0.084) 0.845 8.343 ( 0.122 -0.541 0.343) 0.652 8.343 ( 0.122 0.541 0.343) 0.652 8.389 ( 0.079 -0.728 -0.639) 0.972 8.389 ( 0.079 0.728 -0.639) 0.972 8.421 ( 0.060 -0.533 -0.206) 0.575 8.421 ( 0.060 0.533 -0.206) 0.575 8.484 ( -0.171 -1.191 -0.295) 1.239 8.484 ( -0.171 1.191 -0.295) 1.239 8.529 ( 0.025 -0.953 0.798) 1.243 8.529 ( 0.025 0.953 0.798) 1.243 8.662 ( -0.096 -0.798 -0.193) 0.826 8.662 ( -0.096 0.798 -0.193) 0.826 8.694 ( 0.072 -0.340 -0.289) 0.452 8.694 ( 0.072 0.340 -0.289) 0.452 8.780 ( -0.191 -0.572 0.625) 0.869 8.780 ( -0.191 0.572 0.625) 0.869 8.880 ( 0.043 -0.200 -0.015) 0.205 8.880 ( 0.043 0.200 -0.015) 0.205 8.997 ( -0.024 -0.151 0.103) 0.185 8.997 ( -0.024 0.151 0.103) 0.185 9.034 ( 0.050 -1.170 0.290) 1.206 9.034 ( 0.050 1.170 0.290) 1.206 9.093 ( -0.015 -0.123 -0.480) 0.496 9.093 ( -0.015 0.123 -0.480) 0.496 9.383 ( 0.045 -1.001 -0.085) 1.006 9.383 ( 0.045 1.001 -0.085) 1.006 9.441 ( 0.008 -0.364 -0.160) 0.398 9.441 ( 0.008 0.364 -0.160) 0.398 11.987 ( 0.016 -0.375 -0.055) 0.379 11.987 ( 0.016 0.375 -0.055) 0.379 12.020 ( 0.010 -0.271 -0.009) 0.271 12.020 ( 0.010 0.271 -0.009) 0.271 12.248 ( 0.070 -1.275 0.315) 1.315 12.248 ( 0.070 1.275 0.315) 1.315 12.298 ( -0.602 -0.647 0.456) 0.995 12.298 ( -0.602 0.647 0.456) 0.995 12.350 ( 0.699 -0.657 -0.553) 1.108 12.350 ( 0.699 0.657 -0.553) 1.108 12.570 ( 0.057 -1.444 -1.212) 1.886 12.570 ( 0.057 1.444 -1.212) 1.886 12.704 ( -0.153 -1.359 1.201) 1.820 12.704 ( -0.153 1.359 1.201) 1.820 13.065 ( 0.019 -2.027 -0.169) 2.034 13.065 ( 0.019 2.027 -0.169) 2.034======================= Grid point 65 (35/69) =======================q-point: ( 0.11 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( 10.423 -11.939 -4.188) 16.393 0.667 ( 10.423 11.939 -4.188) 16.393 1.012 ( 24.710 -8.219 -1.432) 26.081 1.012 ( 24.710 8.219 -1.432) 26.081 1.122 ( -3.871 -8.988 6.485) 11.739 1.122 ( -3.871 8.988 6.485) 11.739 1.555 ( 1.904 -1.787 -3.730) 4.554 1.555 ( 1.904 1.787 -3.730) 4.554 1.824 ( 2.137 -4.231 1.076) 4.861 1.824 ( 2.137 4.231 1.076) 4.861 1.838 ( 3.624 -2.721 -0.271) 4.540 1.838 ( 3.624 2.721 -0.271) 4.540 2.674 ( -4.916 -2.250 -2.595) 5.997 2.674 ( -4.916 2.250 -2.595) 5.997 2.879 ( -0.084 -2.449 1.099) 2.685 2.879 ( -0.084 2.449 1.099) 2.685 3.728 ( -1.631 -3.773 4.884) 6.383 3.728 ( -1.631 3.773 4.884) 6.383 3.927 ( 0.013 -1.518 0.373) 1.563 3.927 ( 0.013 1.518 0.373) 1.563 4.877 ( 2.210 -12.603 -8.554) 15.392 4.877 ( 2.210 12.603 -8.554) 15.392 5.229 ( 1.037 -3.869 -2.535) 4.741 5.229 ( 1.037 3.869 -2.535) 4.741 5.346 ( -3.863 -6.939 5.657) 9.750 5.346 ( -3.863 6.939 5.657) 9.750 5.413 ( -1.188 -3.850 3.204) 5.148 5.413 ( -1.188 3.850 3.204) 5.148 5.487 ( -2.596 -2.863 2.434) 4.567 5.487 ( -2.596 2.863 2.434) 4.567 5.830 ( 1.875 -4.397 -4.155) 6.334 5.830 ( 1.875 4.397 -4.155) 6.334 6.287 ( 2.787 -0.405 -0.024) 2.816 6.287 ( 2.787 0.405 -0.024) 2.816 6.365 ( -1.709 -3.473 0.576) 3.914 6.365 ( -1.709 3.473 0.576) 3.914 6.403 ( -5.578 -0.888 0.449) 5.666 6.403 ( -5.578 0.888 0.449) 5.666 6.458 ( -1.660 -1.552 -0.227) 2.284 6.458 ( -1.660 1.552 -0.227) 2.284 6.759 ( 8.932 -0.268 0.250) 8.939 6.759 ( 8.932 0.268 0.250) 8.939 7.212 ( -2.406 -0.468 -0.191) 2.458 7.212 ( -2.406 0.468 -0.191) 2.458 7.355 ( -0.076 -1.041 0.275) 1.079 7.355 ( -0.076 1.041 0.275) 1.079 7.645 ( -3.122 -0.999 -0.112) 3.280 7.645 ( -3.122 0.999 -0.112) 3.280 7.930 ( -0.264 -0.597 0.009) 0.653 7.930 ( -0.264 0.597 0.009) 0.653 7.991 ( 0.040 -0.712 -0.027) 0.714 7.991 ( 0.040 0.712 -0.027) 0.714 8.340 ( -0.804 -0.719 0.091) 1.082 8.340 ( -0.804 0.719 0.091) 1.082 8.394 ( 1.101 -1.131 -0.519) 1.662 8.394 ( 1.101 1.131 -0.519) 1.662 8.434 ( 1.290 -0.365 0.197) 1.355 8.434 ( 1.290 0.365 0.197) 1.355 8.485 ( 0.669 -0.876 -0.403) 1.173 8.485 ( 0.669 0.876 -0.403) 1.173 8.538 ( 0.308 -0.986 0.681) 1.237 8.538 ( 0.308 0.986 0.681) 1.237 8.654 ( -0.359 -0.889 -0.279) 0.998 8.654 ( -0.359 0.889 -0.279) 0.998 8.704 ( 1.153 -0.421 -0.269) 1.257 8.704 ( 1.153 0.421 -0.269) 1.257 8.778 ( -0.578 -0.472 0.627) 0.975 8.778 ( -0.578 0.472 0.627) 0.975 8.884 ( 0.390 -0.277 -0.031) 0.480 8.884 ( 0.390 0.277 -0.031) 0.480 8.964 ( -2.452 -0.923 0.071) 2.621 8.964 ( -2.452 0.923 0.071) 2.621 9.029 ( 0.299 -0.395 0.093) 0.504 9.029 ( 0.299 0.395 0.093) 0.504 9.159 ( 5.323 -0.753 -0.224) 5.381 9.159 ( 5.323 0.753 -0.224) 5.381 9.379 ( -0.376 -0.914 -0.059) 0.990 9.379 ( -0.376 0.914 -0.059) 0.990 9.432 ( -0.872 -0.420 -0.117) 0.975 9.432 ( -0.872 0.420 -0.117) 0.975 11.978 ( -0.700 -0.376 -0.069) 0.798 11.978 ( -0.700 0.376 -0.069) 0.798 12.036 ( 1.451 -0.235 -0.027) 1.470 12.036 ( 1.451 0.235 -0.027) 1.470 12.245 ( -0.762 -0.640 0.360) 1.058 12.245 ( -0.762 0.640 0.360) 1.058 12.292 ( -0.351 -0.463 0.065) 0.584 12.292 ( -0.351 0.463 0.065) 0.584 12.360 ( 0.794 -1.081 -0.284) 1.371 12.360 ( 0.794 1.081 -0.284) 1.371 12.567 ( 0.592 -1.330 -1.213) 1.895 12.567 ( 0.592 1.330 -1.213) 1.895 12.699 ( -1.331 -1.354 1.214) 2.253 12.699 ( -1.331 1.354 1.214) 2.253 13.068 ( 0.448 -1.623 -0.159) 1.691 13.068 ( 0.448 1.623 -0.159) 1.691======================= Grid point 67 (36/69) =======================q-point: ( 0.22 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 10.766 -9.425 -1.236) 14.362 0.830 ( 10.766 9.425 -1.236) 14.362 1.117 ( 0.760 -2.301 1.658) 2.936 1.117 ( 0.760 2.301 1.658) 2.936 1.416 ( 16.060 -2.066 0.258) 16.194 1.416 ( 16.060 2.066 0.258) 16.194 1.569 ( 2.096 -1.814 -1.801) 3.305 1.569 ( 2.096 1.814 -1.801) 3.305 1.901 ( 5.587 -3.299 -2.163) 6.839 1.901 ( 5.587 3.299 -2.163) 6.839 1.945 ( 10.751 -1.979 2.784) 11.281 1.945 ( 10.751 1.979 2.784) 11.281 2.533 ( -8.189 -3.451 -2.761) 9.305 2.533 ( -8.189 3.451 -2.761) 9.305 2.874 ( -1.831 -2.747 0.581) 3.352 2.874 ( -1.831 2.747 0.581) 3.352 3.735 ( -1.962 -4.017 5.022) 6.723 3.735 ( -1.962 4.017 5.022) 6.723 3.933 ( 0.196 -1.129 0.605) 1.296 3.933 ( 0.196 1.129 0.605) 1.296 4.860 ( 3.684 -12.251 -9.096) 15.697 4.860 ( 3.684 12.251 -9.096) 15.697 5.209 ( -1.654 -4.301 -1.589) 4.874 5.209 ( -1.654 4.301 -1.589) 4.874 5.316 ( -5.434 -5.822 4.578) 9.186 5.316 ( -5.434 5.822 4.578) 9.186 5.388 ( -0.125 -1.869 1.809) 2.604 5.388 ( -0.125 1.869 1.809) 2.604 5.504 ( -0.075 -6.275 4.368) 7.646 5.504 ( -0.075 6.275 4.368) 7.646 5.835 ( 2.216 -3.897 -3.969) 5.987 5.835 ( 2.216 3.897 -3.969) 5.987 6.229 ( -8.073 -0.939 0.182) 8.130 6.229 ( -8.073 0.939 0.182) 8.130 6.361 ( 2.062 -2.209 -0.047) 3.022 6.361 ( 2.062 2.209 -0.047) 3.022 6.390 ( 1.938 -2.389 0.077) 3.077 6.390 ( 1.938 2.389 0.077) 3.077 6.456 ( 0.699 -1.904 0.033) 2.028 6.456 ( 0.699 1.904 0.033) 2.028 6.893 ( 5.366 -0.126 0.094) 5.369 6.893 ( 5.366 0.126 0.094) 5.369 7.151 ( -3.685 -0.373 -0.065) 3.704 7.151 ( -3.685 0.373 -0.065) 3.704 7.358 ( 0.171 -1.124 0.322) 1.182 7.358 ( 0.171 1.124 0.322) 1.182 7.575 ( -4.465 -0.955 -0.145) 4.569 7.575 ( -4.465 0.955 -0.145) 4.569 7.925 ( -0.270 -0.485 -0.031) 0.556 7.925 ( -0.270 0.485 -0.031) 0.556 7.978 ( -1.760 -0.623 -0.019) 1.867 7.978 ( -1.760 0.623 -0.019) 1.867 8.323 ( -0.794 -0.653 -0.171) 1.042 8.323 ( -0.794 0.653 -0.171) 1.042 8.414 ( 1.314 -1.251 -0.278) 1.836 8.414 ( 1.314 1.251 -0.278) 1.836 8.461 ( 1.128 -0.739 0.691) 1.516 8.461 ( 1.128 0.739 0.691) 1.516 8.505 ( 2.039 -0.504 -0.506) 2.160 8.505 ( 2.039 0.504 -0.506) 2.160 8.550 ( 0.640 -0.845 0.319) 1.107 8.550 ( 0.640 0.845 0.319) 1.107 8.651 ( 0.283 -0.704 -0.272) 0.805 8.651 ( 0.283 0.704 -0.272) 0.805 8.723 ( 0.980 -0.427 -0.283) 1.106 8.723 ( 0.980 0.427 -0.283) 1.106 8.774 ( -0.124 -0.285 0.622) 0.695 8.774 ( -0.124 0.285 0.622) 0.695 8.892 ( 0.635 -0.369 -0.116) 0.744 8.892 ( 0.635 0.369 -0.116) 0.744 8.942 ( -0.131 -0.433 0.127) 0.470 8.942 ( -0.131 0.433 0.127) 0.470 9.039 ( 0.595 -0.261 0.060) 0.652 9.039 ( 0.595 0.261 0.060) 0.652 9.247 ( 4.562 -0.951 -0.138) 4.662 9.247 ( 4.562 0.951 -0.138) 4.662 9.370 ( -0.617 -0.886 -0.030) 1.080 9.370 ( -0.617 0.886 -0.030) 1.080 9.412 ( -1.286 -0.480 -0.033) 1.373 9.412 ( -1.286 0.480 -0.033) 1.373 11.966 ( -0.544 -0.190 -0.041) 0.578 11.966 ( -0.544 0.190 -0.041) 0.578 12.063 ( 1.474 -0.194 -0.025) 1.487 12.063 ( 1.474 0.194 -0.025) 1.487 12.229 ( -1.203 -0.338 0.304) 1.286 12.229 ( -1.203 0.338 0.304) 1.286 12.285 ( -0.457 -0.412 -0.088) 0.622 12.285 ( -0.457 0.412 -0.088) 0.622 12.372 ( 0.817 -1.206 -0.245) 1.477 12.372 ( 0.817 1.206 -0.245) 1.477 12.570 ( 0.614 -1.365 -1.094) 1.854 12.570 ( 0.614 1.365 -1.094) 1.854 12.680 ( -1.660 -1.349 1.149) 2.428 12.680 ( -1.660 1.349 1.149) 2.428 13.077 ( 0.612 -1.084 -0.119) 1.251 13.077 ( 0.612 1.084 -0.119) 1.251======================= Grid point 69 (37/69) =======================q-point: ( 0.33 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.001 ( 7.694 -5.795 1.370) 9.729 1.001 ( 7.694 5.795 1.370) 9.729 1.187 ( 7.361 -6.466 -2.781) 10.185 1.187 ( 7.361 6.466 -2.781) 10.185 1.537 ( 1.227 -1.908 0.969) 2.467 1.537 ( 1.227 1.908 0.969) 2.467 1.600 ( 0.097 -2.845 2.279) 3.647 1.600 ( 0.097 2.845 2.279) 3.647 1.968 ( 4.288 -1.700 -3.106) 5.561 1.968 ( 4.288 1.700 -3.106) 5.561 2.242 ( 15.979 -1.485 2.828) 16.295 2.242 ( 15.979 1.485 2.828) 16.295 2.376 ( -4.927 -4.358 -4.495) 7.967 2.376 ( -4.927 4.358 -4.495) 7.967 2.814 ( -5.375 -2.604 0.486) 5.993 2.814 ( -5.375 2.604 0.486) 5.993 3.734 ( -2.421 -4.098 5.085) 6.965 3.734 ( -2.421 4.098 5.085) 6.965 3.943 ( 0.304 -0.665 0.660) 0.985 3.943 ( 0.304 0.665 0.660) 0.985 4.868 ( 5.079 -12.524 -9.649) 16.606 4.868 ( 5.079 12.524 -9.649) 16.606 5.141 ( -4.234 -2.399 -1.132) 4.996 5.141 ( -4.234 2.399 -1.132) 4.996 5.283 ( -1.523 -7.350 4.182) 8.593 5.283 ( -1.523 7.350 4.182) 8.593 5.425 ( 1.555 -2.632 2.824) 4.162 5.425 ( 1.555 2.632 2.824) 4.162 5.529 ( -0.735 -5.839 3.881) 7.049 5.529 ( -0.735 5.839 3.881) 7.049 5.844 ( 2.073 -3.654 -3.859) 5.704 5.844 ( 2.073 3.654 -3.859) 5.704 6.100 ( -6.298 -1.235 -0.025) 6.418 6.100 ( -6.298 1.235 -0.025) 6.418 6.375 ( 0.461 -4.361 -0.274) 4.394 6.375 ( 0.461 4.361 -0.274) 4.394 6.441 ( 2.936 -0.433 -0.351) 2.989 6.441 ( 2.936 0.433 -0.351) 2.989 6.483 ( 2.122 -2.179 0.538) 3.089 6.483 ( 2.122 2.179 0.538) 3.089 6.896 ( -5.357 -0.095 0.001) 5.358 6.896 ( -5.357 0.095 0.001) 5.358 7.143 ( 3.586 -0.163 -0.020) 3.590 7.143 ( 3.586 0.163 -0.020) 3.590 7.365 ( 0.408 -1.140 0.291) 1.245 7.365 ( 0.408 1.140 0.291) 1.245 7.489 ( -5.303 -0.778 -0.057) 5.360 7.489 ( -5.303 0.778 -0.057) 5.360 7.920 ( -0.556 -0.385 0.098) 0.683 7.920 ( -0.556 0.385 0.098) 0.683 7.936 ( -2.288 -0.455 -0.120) 2.336 7.936 ( -2.288 0.455 -0.120) 2.336 8.315 ( -0.039 -0.715 -0.150) 0.732 8.315 ( -0.039 0.715 -0.150) 0.732 8.429 ( 0.621 -1.221 -0.302) 1.403 8.429 ( 0.621 1.221 -0.302) 1.403 8.479 ( 0.466 -0.464 0.546) 0.854 8.479 ( 0.466 0.464 0.546) 0.854 8.538 ( 1.271 -0.226 0.114) 1.296 8.538 ( 1.271 0.226 0.114) 1.296 8.572 ( 2.199 -0.246 -0.343) 2.239 8.572 ( 2.199 0.246 -0.343) 2.239 8.658 ( 0.573 -0.386 -0.162) 0.710 8.658 ( 0.573 0.386 -0.162) 0.710 8.730 ( 0.101 -0.236 -0.018) 0.257 8.730 ( 0.101 0.236 -0.018) 0.257 8.786 ( 0.780 -0.137 0.348) 0.865 8.786 ( 0.780 0.137 0.348) 0.865 8.907 ( 1.281 -0.452 -0.096) 1.362 8.907 ( 1.281 0.452 -0.096) 1.362 8.954 ( 1.244 -0.295 0.199) 1.294 8.954 ( 1.244 0.295 0.199) 1.294 9.043 ( -0.373 -0.229 0.052) 0.441 9.043 ( -0.373 0.229 0.052) 0.441 9.305 ( 1.856 -0.867 -0.197) 2.058 9.305 ( 1.856 0.867 -0.197) 2.058 9.363 ( 0.073 -0.822 0.021) 0.826 9.363 ( 0.073 0.822 0.021) 0.826 9.392 ( -0.789 -0.644 0.015) 1.018 9.392 ( -0.789 0.644 0.015) 1.018 11.958 ( -0.334 -0.047 0.017) 0.338 11.958 ( -0.334 0.047 0.017) 0.338 12.086 ( 1.101 -0.214 -0.001) 1.122 12.086 ( 1.101 0.214 -0.001) 1.122 12.211 ( -1.064 -0.543 0.234) 1.217 12.211 ( -1.064 0.543 0.234) 1.217 12.276 ( -0.504 -1.063 0.120) 1.183 12.276 ( -0.504 1.063 0.120) 1.183 12.385 ( 0.872 -0.916 -0.520) 1.368 12.385 ( 0.872 0.916 -0.520) 1.368 12.567 ( -0.257 -1.034 -0.774) 1.317 12.567 ( -0.257 1.034 -0.774) 1.317 12.665 ( -0.826 -1.767 0.938) 2.165 12.665 ( -0.826 1.767 0.938) 2.165 13.086 ( 0.459 -0.636 -0.114) 0.792 13.086 ( 0.459 0.636 -0.114) 0.792======================= Grid point 71 (38/69) =======================q-point: ( 0.44 -0.50 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( 2.427 -9.507 -2.251) 10.066 1.094 ( 2.427 9.507 -2.251) 10.066 1.287 ( 4.628 -8.444 -0.493) 9.642 1.287 ( 4.628 8.444 -0.493) 9.642 1.557 ( -0.640 -2.880 0.377) 2.974 1.557 ( -0.640 2.880 0.377) 2.974 1.613 ( -0.206 -7.375 6.416) 9.778 1.613 ( -0.206 7.375 6.416) 9.778 1.996 ( 1.692 -0.558 -3.807) 4.203 1.996 ( 1.692 0.558 -3.807) 4.203 2.256 ( -1.897 -4.237 -3.733) 5.957 2.256 ( -1.897 4.237 -3.733) 5.957 2.525 ( 11.376 -1.656 0.220) 11.499 2.525 ( 11.376 1.656 0.220) 11.499 2.704 ( -7.212 -1.834 0.666) 7.472 2.704 ( -7.212 1.834 0.666) 7.472 3.728 ( -2.589 -3.818 4.935) 6.756 3.728 ( -2.589 3.818 4.935) 6.756 3.952 ( 0.110 -1.050 0.731) 1.284 3.952 ( 0.110 1.050 0.731) 1.284 4.883 ( 4.922 -12.877 -9.847) 16.941 4.883 ( 4.922 12.877 -9.847) 16.941 5.076 ( -1.856 -2.584 -0.602) 3.238 5.076 ( -1.856 2.584 -0.602) 3.238 5.303 ( -0.194 -6.996 3.742) 7.936 5.303 ( -0.194 6.996 3.742) 7.936 5.465 ( -1.100 -5.095 4.475) 6.870 5.465 ( -1.100 5.095 4.475) 6.870 5.537 ( -0.892 -3.237 2.530) 4.204 5.537 ( -0.892 3.237 2.530) 4.204 5.850 ( 2.060 -3.883 -3.793) 5.806 5.850 ( 2.060 3.883 -3.793) 5.806 6.019 ( -2.520 -1.187 -0.233) 2.795 6.019 ( -2.520 1.187 -0.233) 2.795 6.379 ( 0.314 -4.410 -0.385) 4.438 6.379 ( 0.314 4.410 -0.385) 4.438 6.478 ( 1.458 -0.201 -0.617) 1.596 6.478 ( 1.458 0.201 -0.617) 1.596 6.528 ( 1.886 -1.948 0.908) 2.860 6.528 ( 1.886 1.948 0.908) 2.860 6.783 ( -5.125 -0.039 0.011) 5.125 6.783 ( -5.125 0.039 0.011) 5.125 7.225 ( 4.384 -0.366 -0.335) 4.412 7.225 ( 4.384 0.366 -0.335) 4.412 7.378 ( 0.723 -0.949 -0.101) 1.198 7.378 ( 0.723 0.949 -0.101) 1.198 7.393 ( -4.991 -0.825 0.644) 5.100 7.393 ( -4.991 0.825 0.644) 5.100 7.895 ( -1.157 -0.096 0.072) 1.164 7.895 ( -1.157 0.096 0.072) 1.164 7.925 ( 0.049 -0.187 0.094) 0.215 7.925 ( 0.049 0.187 0.094) 0.215 8.314 ( 0.061 -0.920 -0.264) 0.959 8.314 ( 0.061 0.920 -0.264) 0.959 8.432 ( 0.067 -1.029 -0.439) 1.121 8.432 ( 0.067 1.029 -0.439) 1.121 8.488 ( 0.111 -0.362 0.455) 0.592 8.488 ( 0.111 0.362 0.455) 0.592 8.550 ( 0.094 -0.604 0.366) 0.712 8.550 ( 0.094 0.604 0.366) 0.712 8.606 ( 1.481 -0.415 -0.915) 1.790 8.606 ( 1.481 0.415 -0.915) 1.790 8.668 ( 0.688 -0.349 0.435) 0.885 8.668 ( 0.688 0.349 0.435) 0.885 8.728 ( -0.337 -0.068 -0.032) 0.345 8.728 ( -0.337 0.068 -0.032) 0.345 8.797 ( 0.242 -0.477 0.161) 0.559 8.797 ( 0.242 0.477 0.161) 0.559 8.930 ( 0.919 -0.256 0.195) 0.973 8.930 ( 0.919 0.256 0.195) 0.973 8.984 ( 1.878 -0.096 0.093) 1.883 8.984 ( 1.878 0.096 0.093) 1.883 9.024 ( -1.704 -0.159 0.038) 1.712 9.024 ( -1.704 0.159 0.038) 1.712 9.312 ( -0.115 -0.388 -0.200) 0.451 9.312 ( -0.115 0.388 -0.200) 0.451 9.369 ( 0.138 -0.639 -0.004) 0.654 9.369 ( 0.138 0.639 -0.004) 0.654 9.389 ( 0.251 -1.095 -0.012) 1.123 9.389 ( 0.251 1.095 -0.012) 1.123 11.955 ( -0.105 -0.087 0.049) 0.145 11.955 ( -0.105 0.087 0.049) 0.145 12.099 ( 0.427 -0.198 0.031) 0.472 12.099 ( 0.427 0.198 0.031) 0.472 12.198 ( -0.511 -0.457 0.183) 0.709 12.198 ( -0.511 0.457 0.183) 0.709 12.272 ( -0.129 -1.491 0.454) 1.564 12.272 ( -0.129 1.491 0.454) 1.564 12.391 ( 0.419 -0.439 -0.944) 1.123 12.391 ( 0.419 0.439 -0.944) 1.123 12.556 ( -0.151 -0.577 -0.442) 0.742 12.556 ( -0.151 0.577 -0.442) 0.742 12.663 ( -0.366 -2.175 0.761) 2.333 12.663 ( -0.366 2.175 0.761) 2.333 13.091 ( 0.181 -0.557 -0.147) 0.604 13.091 ( 0.181 0.557 -0.147) 0.604======================= Grid point 73 (39/69) =======================q-point: (-0.44 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -4.755 -8.676 -2.438) 10.189 1.046 ( -4.755 8.676 -2.438) 10.189 1.322 ( -1.647 -8.454 -1.720) 8.783 1.322 ( -1.647 8.454 -1.720) 8.783 1.533 ( -1.900 -5.901 4.385) 7.594 1.533 ( -1.900 5.901 4.385) 7.594 1.677 ( 0.872 -6.097 4.900) 7.871 1.677 ( 0.872 6.097 4.900) 7.871 1.973 ( -0.390 -1.263 -4.558) 4.746 1.973 ( -0.390 1.263 -4.558) 4.746 2.233 ( 2.061 -3.534 -4.221) 5.878 2.233 ( 2.061 3.534 -4.221) 5.878 2.553 ( -9.208 -0.520 0.370) 9.230 2.553 ( -9.208 0.520 0.370) 9.230 2.693 ( 6.771 -2.957 0.617) 7.414 2.693 ( 6.771 2.957 0.617) 7.414 3.720 ( -2.366 -3.261 4.623) 6.132 3.720 ( -2.366 3.261 4.623) 6.132 3.955 ( -0.498 -1.980 0.936) 2.246 3.955 ( -0.498 1.980 0.936) 2.246 4.890 ( 4.451 -13.210 -9.977) 17.142 4.890 ( 4.451 13.210 -9.977) 17.142 5.075 ( 2.176 -2.724 -0.336) 3.502 5.075 ( 2.176 2.724 -0.336) 3.502 5.320 ( -1.444 -6.585 4.005) 7.842 5.320 ( -1.444 6.585 4.005) 7.842 5.431 ( -5.739 -6.049 3.848) 9.183 5.431 ( -5.739 6.049 3.848) 9.183 5.542 ( -0.966 -3.064 2.348) 3.979 5.542 ( -0.966 3.064 2.348) 3.979 5.862 ( 2.146 -4.017 -3.262) 5.602 5.862 ( 2.146 4.017 -3.262) 5.602 6.016 ( 2.484 -0.951 -0.278) 2.674 6.016 ( 2.484 0.951 -0.278) 2.674 6.379 ( 0.025 -4.392 -0.383) 4.409 6.379 ( 0.025 4.392 -0.383) 4.409 6.471 ( -1.758 -0.071 -0.588) 1.855 6.471 ( -1.758 0.071 -0.588) 1.855 6.534 ( -1.947 -1.398 0.858) 2.546 6.534 ( -1.947 1.398 0.858) 2.546 6.783 ( 5.130 -0.201 0.011) 5.134 6.783 ( 5.130 0.201 0.011) 5.134 7.228 ( -4.201 -1.535 -0.314) 4.484 7.228 ( -4.201 1.535 -0.314) 4.484 7.340 ( -0.104 -0.847 -0.198) 0.877 7.340 ( -0.104 0.847 -0.198) 0.877 7.428 ( 3.916 -0.335 0.702) 3.993 7.428 ( 3.916 0.335 0.702) 3.993 7.895 ( 1.106 -0.167 0.078) 1.122 7.895 ( 1.106 0.167 0.078) 1.122 7.928 ( 0.133 -0.346 0.156) 0.402 7.928 ( 0.133 0.346 0.156) 0.402 8.313 ( 0.077 -0.973 -0.313) 1.025 8.313 ( 0.077 0.973 -0.313) 1.025 8.428 ( -0.115 -0.822 -0.440) 0.940 8.428 ( -0.115 0.822 -0.440) 0.940 8.490 ( -0.295 -0.570 0.452) 0.785 8.490 ( -0.295 0.570 0.452) 0.785 8.549 ( -0.436 -0.578 0.345) 0.802 8.549 ( -0.436 0.578 0.345) 0.802 8.600 ( -1.162 -0.808 -0.925) 1.691 8.600 ( -1.162 0.808 -0.925) 1.691 8.682 ( -0.145 -0.443 0.705) 0.845 8.682 ( -0.145 0.443 0.705) 0.845 8.722 ( 0.047 -0.085 -0.286) 0.302 8.722 ( 0.047 0.085 -0.286) 0.302 8.797 ( -0.425 -0.235 0.165) 0.513 8.797 ( -0.425 0.235 0.165) 0.513 8.935 ( -0.654 -0.383 0.316) 0.821 8.935 ( -0.654 0.383 0.316) 0.821 8.979 ( -2.190 -0.161 -0.034) 2.197 8.979 ( -2.190 0.161 -0.034) 2.197 9.026 ( 1.594 -0.185 0.076) 1.607 9.026 ( 1.594 0.185 0.076) 1.607 9.313 ( 0.331 -0.377 -0.192) 0.537 9.313 ( 0.331 0.377 -0.192) 0.537 9.368 ( -0.231 -0.646 -0.020) 0.686 9.368 ( -0.231 0.646 -0.020) 0.686 9.388 ( -0.248 -0.988 -0.019) 1.018 9.388 ( -0.248 0.988 -0.019) 1.018 11.956 ( 0.146 -0.082 0.065) 0.180 11.956 ( 0.146 0.082 0.065) 0.180 12.100 ( -0.430 -0.112 0.037) 0.446 12.100 ( -0.430 0.112 0.037) 0.446 12.197 ( 0.234 -0.075 0.153) 0.290 12.197 ( 0.234 0.075 0.153) 0.290 12.280 ( 0.422 -1.484 0.722) 1.703 12.280 ( 0.422 1.484 0.722) 1.703 12.382 ( -0.468 -0.168 -1.232) 1.329 12.382 ( -0.468 0.168 -1.232) 1.329 12.563 ( 1.381 -0.710 -0.367) 1.596 12.563 ( 1.381 0.710 -0.367) 1.596 12.659 ( -0.873 -1.923 0.732) 2.235 12.659 ( -0.873 1.923 0.732) 2.235 13.090 ( -0.075 -0.952 -0.153) 0.967 13.090 ( -0.075 0.952 -0.153) 0.967======================= Grid point 75 (40/69) =======================q-point: (-0.33 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( -6.016 -4.794 -0.417) 7.704 0.934 ( -6.016 4.794 -0.417) 7.704 1.200 ( -8.569 -4.508 -2.176) 9.924 1.200 ( -8.569 4.508 -2.176) 9.924 1.555 ( -1.058 -3.716 3.764) 5.394 1.555 ( -1.058 3.716 3.764) 5.394 1.698 ( -1.847 -3.630 2.544) 4.802 1.698 ( -1.847 3.630 2.544) 4.802 1.917 ( -2.025 -3.707 -4.292) 6.022 1.917 ( -2.025 3.707 -4.292) 6.022 2.162 ( -12.204 -0.667 -0.767) 12.246 2.162 ( -12.204 0.667 -0.767) 12.246 2.450 ( 2.615 -1.346 -1.651) 3.373 2.450 ( 2.615 1.346 -1.651) 3.373 2.803 ( 4.935 -2.252 0.423) 5.442 2.803 ( 4.935 2.252 0.423) 5.442 3.716 ( -1.991 -2.904 4.375) 5.616 3.716 ( -1.991 2.904 4.375) 5.616 3.948 ( -1.136 -2.707 1.050) 3.118 3.948 ( -1.136 2.707 1.050) 3.118 4.893 ( 4.667 -13.437 -10.046) 17.414 4.893 ( 4.667 13.437 -10.046) 17.414 5.138 ( 4.534 -3.188 -0.288) 5.550 5.138 ( 4.534 3.188 -0.288) 5.550 5.304 ( -4.184 -6.772 5.645) 9.759 5.304 ( -4.184 6.772 5.645) 9.759 5.371 ( -2.322 -1.853 1.156) 3.188 5.371 ( -2.322 1.853 1.156) 3.188 5.531 ( -2.514 -4.444 2.973) 5.908 5.531 ( -2.514 4.444 2.973) 5.908 5.867 ( 1.010 -4.002 -2.871) 5.028 5.867 ( 1.010 4.002 -2.871) 5.028 6.094 ( 6.293 -0.605 -0.134) 6.324 6.094 ( 6.293 0.605 -0.134) 6.324 6.375 ( -0.227 -4.359 -0.262) 4.373 6.375 ( -0.227 4.359 -0.262) 4.373 6.424 ( -2.775 -0.304 -0.448) 2.827 6.424 ( -2.775 0.304 -0.448) 2.827 6.497 ( -2.562 -1.175 0.569) 2.875 6.497 ( -2.562 1.175 0.569) 2.875 6.896 ( 5.338 -0.311 0.007) 5.347 6.896 ( 5.338 0.311 0.007) 5.347 7.142 ( -3.690 -1.673 -0.039) 4.051 7.142 ( -3.690 1.673 -0.039) 4.051 7.342 ( 0.232 -1.480 -0.162) 1.507 7.342 ( 0.232 1.480 -0.162) 1.507 7.510 ( 4.478 -0.298 0.348) 4.501 7.510 ( 4.478 0.298 0.348) 4.501 7.922 ( 0.848 -0.600 0.131) 1.047 7.922 ( 0.848 0.600 0.131) 1.047 7.939 ( 1.894 -0.377 -0.045) 1.932 7.939 ( 1.894 0.377 -0.045) 1.932 8.314 ( 0.331 -0.977 -0.194) 1.049 8.314 ( 0.331 0.977 -0.194) 1.049 8.421 ( -0.354 -0.701 -0.332) 0.852 8.421 ( -0.354 0.701 -0.332) 0.852 8.483 ( -0.988 -0.876 0.526) 1.422 8.483 ( -0.988 0.876 0.526) 1.422 8.540 ( -0.895 -0.546 0.221) 1.071 8.540 ( -0.895 0.546 0.221) 1.071 8.562 ( -2.155 -0.854 -0.616) 2.398 8.562 ( -2.155 0.854 -0.616) 2.398 8.673 ( -0.907 -0.672 0.138) 1.137 8.673 ( -0.907 0.672 0.138) 1.137 8.727 ( 0.376 -0.201 -0.109) 0.440 8.727 ( 0.376 0.201 -0.109) 0.440 8.784 ( -1.165 -0.390 0.315) 1.268 8.784 ( -1.165 0.390 0.315) 1.268 8.913 ( -1.612 -0.370 0.003) 1.654 8.913 ( -1.612 0.370 0.003) 1.654 8.949 ( -1.110 -0.252 0.122) 1.145 8.949 ( -1.110 0.252 0.122) 1.145 9.044 ( 0.293 -0.280 0.071) 0.411 9.044 ( 0.293 0.280 0.071) 0.411 9.306 ( -1.723 -0.902 -0.188) 1.954 9.306 ( -1.723 0.902 -0.188) 1.954 9.361 ( -0.022 -0.778 -0.008) 0.778 9.361 ( -0.022 0.778 -0.008) 0.778 9.392 ( 0.838 -0.398 0.021) 0.928 9.392 ( 0.838 0.398 0.021) 0.928 11.961 ( 0.383 -0.038 0.067) 0.391 11.961 ( 0.383 0.038 0.067) 0.391 12.086 ( -1.130 -0.015 0.003) 1.130 12.086 ( -1.130 0.015 0.003) 1.130 12.207 ( 0.783 -0.505 0.139) 0.942 12.207 ( 0.783 0.505 0.139) 0.942 12.296 ( 0.611 -1.281 0.881) 1.670 12.296 ( 0.611 1.281 0.881) 1.670 12.362 ( -0.619 -0.547 -1.314) 1.552 12.362 ( -0.619 0.547 -1.314) 1.552 12.593 ( 2.181 -1.330 -0.784) 2.672 12.593 ( 2.181 1.330 -0.784) 2.672 12.645 ( -1.252 -1.564 1.047) 2.260 12.645 ( -1.252 1.564 1.047) 2.260 13.086 ( -0.305 -1.569 -0.114) 1.602 13.086 ( -0.305 1.569 -0.114) 1.602======================= Grid point 77 (41/69) =======================q-point: (-0.22 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -4.619 -9.009 -1.258) 10.201 0.835 ( -4.619 9.009 -1.258) 10.201 1.042 ( -8.136 -2.390 0.126) 8.481 1.042 ( -8.136 2.390 0.126) 8.481 1.468 ( -14.624 -6.660 1.909) 16.182 1.468 ( -14.624 6.660 1.909) 16.182 1.653 ( -2.693 -1.591 -1.239) 3.365 1.653 ( -2.693 1.591 -1.239) 3.365 1.848 ( -3.317 -5.938 -0.756) 6.844 1.848 ( -3.317 5.938 -0.756) 6.844 1.912 ( -10.524 -4.497 0.198) 11.446 1.912 ( -10.524 4.497 0.198) 11.446 2.565 ( 9.364 -1.768 -2.217) 9.784 2.565 ( 9.364 1.768 -2.217) 9.784 2.861 ( 1.270 -1.709 0.518) 2.191 2.861 ( 1.270 1.709 0.518) 2.191 3.715 ( -1.879 -3.055 4.337) 5.628 3.715 ( -1.879 3.055 4.337) 5.628 3.935 ( -1.014 -2.859 0.868) 3.155 3.935 ( -1.014 2.859 0.868) 3.155 4.904 ( 5.154 -13.660 -9.820) 17.595 4.904 ( 5.154 13.660 -9.820) 17.595 5.188 ( 0.577 -4.934 0.846) 5.040 5.188 ( 0.577 4.934 0.846) 5.040 5.310 ( -0.258 -6.012 4.417) 7.465 5.310 ( -0.258 6.012 4.417) 7.465 5.366 ( 2.024 -0.443 0.631) 2.165 5.366 ( 2.024 0.443 0.631) 2.165 5.503 ( -3.429 -5.424 3.460) 7.291 5.503 ( -3.429 5.424 3.460) 7.291 5.856 ( 0.473 -4.305 -3.019) 5.279 5.856 ( 0.473 4.305 -3.019) 5.279 6.224 ( 8.233 -0.178 0.019) 8.235 6.224 ( 8.233 0.178 0.019) 8.235 6.359 ( -3.062 -1.371 0.022) 3.355 6.359 ( -3.062 1.371 0.022) 3.355 6.376 ( -0.792 -2.881 -0.198) 2.994 6.376 ( -0.792 2.881 -0.198) 2.994 6.464 ( -1.306 -1.672 0.170) 2.128 6.464 ( -1.306 1.672 0.170) 2.128 6.891 ( -5.627 -0.566 0.049) 5.655 6.891 ( -5.627 0.566 0.049) 5.655 7.150 ( 3.815 -1.228 -0.081) 4.009 7.150 ( 3.815 1.228 -0.081) 4.009 7.345 ( 0.197 -1.584 0.070) 1.598 7.345 ( 0.197 1.584 0.070) 1.598 7.585 ( 3.961 -0.630 0.052) 4.011 7.585 ( 3.961 0.630 0.052) 4.011 7.928 ( 0.194 -0.717 0.029) 0.743 7.928 ( 0.194 0.717 0.029) 0.743 7.978 ( 1.755 -0.289 -0.015) 1.778 7.978 ( 1.755 0.289 -0.015) 1.778 8.322 ( 0.777 -0.983 -0.183) 1.266 8.322 ( 0.777 0.983 -0.183) 1.266 8.409 ( -0.693 -0.662 -0.282) 0.999 8.409 ( -0.693 0.662 -0.282) 0.999 8.462 ( -1.784 -0.853 0.551) 2.053 8.462 ( -1.784 0.853 0.551) 2.053 8.518 ( -1.436 -1.308 -0.415) 1.986 8.518 ( -1.436 1.308 -0.415) 1.986 8.531 ( -0.877 -0.545 0.194) 1.050 8.531 ( -0.877 0.545 0.194) 1.050 8.661 ( -0.347 -0.876 -0.036) 0.943 8.661 ( -0.347 0.876 -0.036) 0.943 8.724 ( -0.649 -0.040 -0.306) 0.719 8.724 ( -0.649 0.040 -0.306) 0.719 8.771 ( -0.409 -0.572 0.615) 0.934 8.771 ( -0.409 0.572 0.615) 0.934 8.891 ( -0.722 -0.060 -0.122) 0.734 8.891 ( -0.722 0.060 -0.122) 0.734 8.940 ( 0.099 -0.132 0.095) 0.190 8.940 ( 0.099 0.132 0.095) 0.190 9.040 ( -0.672 -0.404 0.074) 0.788 9.040 ( -0.672 0.404 0.074) 0.788 9.248 ( -4.374 -1.045 -0.118) 4.499 9.248 ( -4.374 1.045 -0.118) 4.499 9.369 ( 0.670 -0.971 -0.045) 1.180 9.369 ( 0.670 0.971 -0.045) 1.180 9.413 ( 1.359 -0.371 -0.009) 1.409 9.413 ( 1.359 0.371 -0.009) 1.409 11.969 ( 0.531 -0.109 0.025) 0.542 11.969 ( 0.531 0.109 0.025) 0.542 12.062 ( -1.480 -0.109 -0.034) 1.484 12.062 ( -1.480 0.109 -0.034) 1.484 12.224 ( 0.923 -1.093 0.145) 1.438 12.224 ( 0.923 1.093 0.145) 1.438 12.309 ( -0.086 -1.084 0.931) 1.432 12.309 ( -0.086 1.084 0.931) 1.432 12.346 ( 0.073 -0.618 -1.275) 1.419 12.346 ( 0.073 0.618 -1.275) 1.419 12.603 ( -0.273 -2.013 -1.392) 2.463 12.603 ( -0.273 2.013 -1.392) 2.463 12.652 ( 1.148 -1.604 1.545) 2.505 12.652 ( 1.148 1.604 1.545) 2.505 13.078 ( -0.459 -2.038 -0.092) 2.091 13.078 ( -0.459 2.038 -0.092) 2.091======================= Grid point 79 (42/69) =======================q-point: (-0.11 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( -2.810 -14.278 -4.920) 15.361 0.753 ( -2.810 14.278 -4.920) 15.361 0.844 ( -17.378 -7.689 0.876) 19.023 0.844 ( -17.378 7.689 0.876) 19.023 1.195 ( -11.031 -11.158 4.539) 16.333 1.195 ( -11.031 11.158 4.539) 16.333 1.606 ( -1.403 -2.355 -2.592) 3.773 1.606 ( -1.403 2.355 -2.592) 3.773 1.797 ( -1.718 -0.746 -0.837) 2.051 1.797 ( -1.718 0.746 -0.837) 2.051 1.821 ( -2.160 -1.193 0.919) 2.633 1.821 ( -2.160 1.193 0.919) 2.633 2.693 ( 6.339 -1.304 -2.517) 6.944 2.693 ( 6.339 1.304 -2.517) 6.944 2.868 ( -0.578 -1.619 1.164) 2.076 2.868 ( -0.578 1.619 1.164) 2.076 3.716 ( -1.847 -3.339 4.483) 5.888 3.716 ( -1.847 3.339 4.483) 5.888 3.928 ( -0.420 -2.445 0.494) 2.529 3.928 ( -0.420 2.445 0.494) 2.529 4.915 ( 4.006 -13.915 -9.098) 17.101 4.915 ( 4.006 13.915 -9.098) 17.101 5.204 ( 1.314 -4.171 -0.489) 4.400 5.204 ( 1.314 4.171 -0.489) 4.400 5.321 ( -1.039 -5.789 4.734) 7.550 5.321 ( -1.039 5.789 4.734) 7.550 5.430 ( -0.278 -3.274 2.468) 4.110 5.430 ( -0.278 3.274 2.468) 4.110 5.481 ( 0.550 -2.897 2.257) 3.714 5.481 ( 0.550 2.897 2.257) 3.714 5.842 ( 0.806 -4.687 -3.544) 5.931 5.842 ( 0.806 4.687 -3.544) 5.931 6.291 ( -3.333 -0.619 -0.016) 3.390 6.291 ( -3.333 0.619 -0.016) 3.390 6.357 ( 2.626 -2.772 0.271) 3.828 6.357 ( 2.626 2.772 0.271) 3.828 6.398 ( 5.839 -0.142 0.700) 5.882 6.398 ( 5.839 0.142 0.700) 5.882 6.455 ( 0.586 -1.701 -0.348) 1.832 6.455 ( 0.586 1.701 -0.348) 1.832 6.756 ( -8.908 -0.414 0.203) 8.920 6.756 ( -8.908 0.414 0.203) 8.920 7.212 ( 2.566 -0.860 -0.207) 2.714 7.212 ( 2.566 0.860 -0.207) 2.714 7.350 ( 0.232 -1.321 0.201) 1.357 7.350 ( 0.232 1.321 0.201) 1.357 7.647 ( 2.948 -0.795 -0.073) 3.055 7.647 ( 2.948 0.795 -0.073) 3.055 7.932 ( 0.181 -0.698 0.047) 0.723 7.932 ( 0.181 0.698 0.047) 0.723 7.991 ( -0.015 -0.573 -0.020) 0.573 7.991 ( -0.015 0.573 -0.020) 0.573 8.335 ( 0.639 -0.575 -0.032) 0.860 8.335 ( 0.639 0.575 -0.032) 0.860 8.396 ( -0.429 -0.665 -0.442) 0.906 8.396 ( -0.429 0.665 -0.442) 0.906 8.435 ( -1.456 -0.382 0.186) 1.517 8.435 ( -1.456 0.382 0.186) 1.517 8.495 ( -0.815 -1.304 -0.395) 1.588 8.495 ( -0.815 1.304 -0.395) 1.588 8.525 ( -0.271 -0.792 0.616) 1.039 8.525 ( -0.271 0.792 0.616) 1.039 8.660 ( 0.218 -0.773 -0.132) 0.814 8.660 ( 0.218 0.773 -0.132) 0.814 8.705 ( -0.949 -0.158 -0.259) 0.997 8.705 ( -0.949 0.158 -0.259) 0.997 8.775 ( 0.108 -0.570 0.609) 0.841 8.775 ( 0.108 0.570 0.609) 0.841 8.883 ( -0.309 -0.105 -0.055) 0.331 8.883 ( -0.309 0.105 -0.055) 0.331 8.962 ( 2.423 -0.059 0.040) 2.424 8.962 ( 2.423 0.059 0.040) 2.424 9.029 ( -0.460 -0.669 0.087) 0.817 9.029 ( -0.460 0.669 0.087) 0.817 9.161 ( -5.109 -0.980 -0.171) 5.205 9.161 ( -5.109 0.980 -0.171) 5.205 9.379 ( 0.460 -1.013 -0.066) 1.115 9.379 ( 0.460 1.013 -0.066) 1.115 9.434 ( 0.915 -0.375 -0.101) 0.994 9.434 ( 0.915 0.375 -0.101) 0.994 11.979 ( 0.606 -0.145 -0.043) 0.624 11.979 ( 0.606 0.145 -0.043) 0.624 12.036 ( -1.403 -0.087 -0.034) 1.406 12.036 ( -1.403 0.087 -0.034) 1.406 12.240 ( 0.649 -1.446 0.206) 1.599 12.240 ( 0.649 1.446 0.206) 1.599 12.306 ( -0.724 -0.791 0.678) 1.269 12.306 ( -0.724 0.791 0.678) 1.269 12.344 ( 0.542 -0.464 -0.884) 1.136 12.344 ( 0.542 0.464 -0.884) 1.136 12.584 ( -0.528 -1.654 -1.189) 2.104 12.584 ( -0.528 1.654 -1.189) 2.104 12.686 ( 1.105 -1.327 1.248) 2.130 12.686 ( 1.105 1.327 1.248) 2.130 13.070 ( -0.364 -2.185 -0.126) 2.219 13.070 ( -0.364 2.185 -0.126) 2.219======================= Grid point 90 (43/69) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( 7.537 0.000 11.016) 13.347 0.645 ( -5.965 0.000 -9.794) 11.467 0.723 ( -7.381 0.000 16.151) 17.758 0.757 ( -2.935 0.000 14.823) 15.111 1.104 ( 5.564 0.000 -12.818) 13.973 1.116 ( 1.600 0.000 -11.927) 12.033 1.586 ( -1.035 0.000 2.593) 2.792 1.637 ( 1.431 0.000 -1.748) 2.259 1.680 ( 1.339 0.000 3.261) 3.525 1.714 ( -1.051 0.000 1.625) 1.935 1.882 ( 0.927 0.000 -0.958) 1.333 1.900 ( -0.756 0.000 -1.616) 1.784 2.741 ( -1.832 0.000 1.562) 2.407 2.768 ( 1.460 0.000 -0.994) 1.767 2.827 ( -1.774 0.000 2.093) 2.744 2.869 ( 1.998 0.000 -2.033) 2.850 3.659 ( -1.097 0.000 2.651) 2.869 3.733 ( 1.963 0.000 -4.913) 5.291 3.886 ( -0.728 0.000 2.132) 2.253 3.944 ( 0.897 0.000 -3.613) 3.723 4.898 ( -6.289 0.000 15.421) 16.654 5.141 ( -1.063 0.000 6.529) 6.615 5.198 ( 3.836 0.000 -11.298) 11.932 5.233 ( -1.192 0.000 3.349) 3.555 5.302 ( 1.291 0.000 -3.146) 3.400 5.306 ( 0.200 0.000 -7.682) 7.684 5.316 ( -0.745 0.000 1.152) 1.372 5.382 ( 3.555 0.000 -3.955) 5.318 5.498 ( 0.056 0.000 0.119) 0.132 5.506 ( 0.443 0.000 -0.746) 0.868 5.841 ( -0.567 0.000 3.807) 3.849 5.902 ( 0.003 0.000 -2.348) 2.348 6.253 ( 0.076 0.000 0.888) 0.891 6.261 ( -0.594 0.000 -0.247) 0.644 6.306 ( -2.554 0.000 5.785) 6.323 6.402 ( 1.512 0.000 -2.829) 3.208 6.420 ( 0.102 0.000 1.204) 1.208 6.462 ( 0.664 0.000 -2.036) 2.142 6.578 ( -6.074 0.000 0.783) 6.125 6.595 ( 5.656 0.000 -0.910) 5.729 6.618 ( 4.484 0.000 0.074) 4.485 6.624 ( -3.437 0.000 -0.465) 3.469 7.241 ( 0.485 0.000 0.425) 0.645 7.248 ( -0.351 0.000 -0.302) 0.463 7.320 ( -0.162 0.000 1.329) 1.338 7.348 ( 0.253 0.000 -1.436) 1.458 7.663 ( -0.644 0.000 0.763) 0.999 7.681 ( 0.770 0.000 -0.964) 1.234 7.927 ( -0.156 0.000 0.588) 0.608 7.940 ( 0.201 0.000 -0.682) 0.712 7.985 ( -0.469 0.000 0.990) 1.095 8.003 ( 0.382 0.000 -0.744) 0.837 8.334 ( 0.307 0.000 -0.208) 0.371 8.335 ( -0.293 0.000 -0.305) 0.422 8.402 ( -0.520 0.000 0.550) 0.756 8.402 ( -0.599 0.000 0.565) 0.823 8.416 ( 1.867 0.000 0.097) 1.870 8.425 ( -0.689 0.000 -0.689) 0.974 8.480 ( -0.351 0.000 1.977) 2.008 8.506 ( -0.443 0.000 0.390) 0.590 8.518 ( 0.407 0.000 -0.686) 0.798 8.520 ( 0.292 0.000 -1.883) 1.905 8.645 ( -0.657 0.000 1.058) 1.246 8.666 ( 0.669 0.000 -1.019) 1.220 8.692 ( -0.336 0.000 0.293) 0.446 8.694 ( 0.414 0.000 0.169) 0.447 8.779 ( 0.541 0.000 -0.071) 0.546 8.782 ( -0.368 0.000 -0.398) 0.542 8.879 ( -0.440 0.000 0.220) 0.492 8.882 ( 0.344 0.000 -0.119) 0.365 8.986 ( -2.476 0.000 0.262) 2.490 8.992 ( 1.712 0.000 -0.307) 1.739 9.038 ( -0.812 0.000 1.538) 1.739 9.067 ( 1.949 0.000 -1.301) 2.343 9.076 ( 1.675 0.000 0.418) 1.727 9.086 ( -2.304 0.000 -0.553) 2.369 9.371 ( -0.239 0.000 1.035) 1.063 9.391 ( 0.249 0.000 -0.877) 0.912 9.434 ( -0.179 0.000 0.433) 0.469 9.444 ( 0.216 0.000 -0.532) 0.574 11.980 ( -0.690 0.000 0.261) 0.738 11.986 ( 0.966 0.000 -0.407) 1.048 12.023 ( -0.892 0.000 0.255) 0.928 12.027 ( 0.680 0.000 -0.160) 0.698 12.232 ( 0.763 0.000 1.386) 1.582 12.259 ( -1.194 0.000 -1.213) 1.702 12.297 ( -0.500 0.000 0.758) 0.908 12.315 ( 0.655 0.000 -1.018) 1.211 12.334 ( -1.322 0.000 0.582) 1.445 12.349 ( 1.930 0.000 -0.993) 2.171 12.578 ( 0.926 0.000 1.389) 1.669 12.596 ( -1.223 0.000 0.001) 1.223 12.680 ( 0.157 0.000 0.083) 0.178 12.699 ( 0.100 0.000 -1.390) 1.394 13.045 ( -0.136 0.000 2.323) 2.327 13.088 ( 0.105 0.000 -1.910) 1.912======================= Grid point 91 (44/69) =======================q-point: ( 0.11 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.720 ( 1.246 0.000 14.021) 14.077 0.727 ( 15.511 0.000 -6.607) 16.859 0.864 ( 2.754 0.000 13.266) 13.549 0.944 ( 21.419 0.000 1.984) 21.511 1.076 ( 7.311 0.000 -4.027) 8.347 1.176 ( 15.378 0.000 -12.812) 20.016 1.579 ( -1.433 0.000 1.717) 2.237 1.641 ( 1.117 0.000 -2.855) 3.066 1.725 ( 2.575 0.000 -1.820) 3.153 1.747 ( 3.683 0.000 2.835) 4.648 1.901 ( 2.573 0.000 -1.399) 2.929 1.915 ( 2.540 0.000 0.499) 2.589 2.661 ( -8.368 0.000 1.707) 8.540 2.728 ( -4.794 0.000 -0.899) 4.877 2.824 ( -0.470 0.000 1.699) 1.762 2.897 ( 2.470 0.000 -1.970) 3.159 3.661 ( -1.070 0.000 2.746) 2.947 3.734 ( 2.418 0.000 -4.780) 5.357 3.891 ( -0.595 0.000 2.382) 2.456 3.934 ( 0.943 0.000 -3.285) 3.418 4.903 ( -6.495 0.000 15.346) 16.664 5.122 ( -6.332 0.000 8.101) 10.282 5.184 ( 4.930 0.000 -12.630) 13.558 5.213 ( -1.431 0.000 -4.010) 4.257 5.270 ( 0.180 0.000 1.124) 1.139 5.309 ( 2.577 0.000 -3.726) 4.530 5.356 ( 2.695 0.000 1.908) 3.302 5.420 ( 0.939 0.000 -2.710) 2.868 5.461 ( -4.080 0.000 -1.140) 4.237 5.466 ( -0.379 0.000 -2.472) 2.501 5.864 ( -0.127 0.000 3.750) 3.752 5.887 ( 0.442 0.000 -2.503) 2.542 6.280 ( -0.588 0.000 4.290) 4.330 6.284 ( 3.072 0.000 -0.226) 3.080 6.320 ( 1.430 0.000 2.387) 2.783 6.385 ( -10.506 0.000 -0.390) 10.513 6.406 ( 0.960 0.000 -3.117) 3.261 6.429 ( -0.039 0.000 1.154) 1.155 6.442 ( -9.293 0.000 -0.369) 9.301 6.466 ( 0.440 0.000 -1.490) 1.553 6.767 ( 8.151 0.000 -0.210) 8.154 6.778 ( 9.061 0.000 -0.413) 9.071 7.218 ( -2.761 0.000 -0.593) 2.824 7.227 ( -2.390 0.000 0.486) 2.439 7.328 ( -0.040 0.000 1.398) 1.398 7.345 ( 0.687 0.000 -1.550) 1.696 7.630 ( -3.557 0.000 0.731) 3.631 7.658 ( -2.374 0.000 -0.989) 2.571 7.926 ( -0.404 0.000 0.590) 0.715 7.935 ( -0.124 0.000 -0.667) 0.679 7.986 ( -0.517 0.000 0.723) 0.889 8.005 ( 0.262 0.000 -0.550) 0.609 8.327 ( -0.518 0.000 0.247) 0.574 8.339 ( -0.017 0.000 -0.521) 0.521 8.386 ( -1.020 0.000 0.456) 1.117 8.411 ( 1.046 0.000 0.263) 1.078 8.436 ( 2.114 0.000 -0.485) 2.169 8.452 ( 2.003 0.000 -0.122) 2.007 8.489 ( -0.297 0.000 1.880) 1.904 8.506 ( -0.143 0.000 0.527) 0.547 8.510 ( 0.481 0.000 -1.669) 1.737 8.524 ( 0.827 0.000 -0.575) 1.008 8.643 ( -0.178 0.000 0.991) 1.007 8.661 ( -0.179 0.000 -0.866) 0.884 8.706 ( 1.586 0.000 -0.097) 1.589 8.709 ( 0.937 0.000 -0.028) 0.938 8.773 ( -0.275 0.000 -0.383) 0.471 8.784 ( -0.135 0.000 0.086) 0.160 8.877 ( 0.170 0.000 0.179) 0.247 8.884 ( -0.406 0.000 0.081) 0.414 8.939 ( -1.764 0.000 0.504) 1.834 8.986 ( -2.484 0.000 -0.049) 2.485 9.028 ( 0.182 0.000 -0.708) 0.731 9.030 ( -0.071 0.000 0.640) 0.644 9.155 ( 4.726 0.000 0.921) 4.815 9.162 ( 6.157 0.000 -1.090) 6.253 9.371 ( -0.689 0.000 1.010) 1.223 9.386 ( -0.018 0.000 -0.988) 0.988 9.426 ( -1.069 0.000 0.464) 1.165 9.436 ( -0.608 0.000 -0.509) 0.793 11.969 ( -0.530 0.000 0.193) 0.565 11.986 ( -0.650 0.000 -0.235) 0.691 12.029 ( 1.329 0.000 -0.025) 1.329 12.046 ( 1.366 0.000 -0.013) 1.366 12.228 ( -1.237 0.000 -1.074) 1.638 12.254 ( 0.076 0.000 2.047) 2.049 12.294 ( -0.216 0.000 0.449) 0.498 12.313 ( -1.410 0.000 -0.050) 1.411 12.321 ( 0.850 0.000 -0.931) 1.261 12.372 ( 1.570 0.000 -1.111) 1.923 12.576 ( -0.775 0.000 -0.693) 1.040 12.606 ( 0.931 0.000 1.674) 1.915 12.675 ( -1.133 0.000 0.788) 1.380 12.682 ( -0.630 0.000 -1.613) 1.732 13.064 ( 0.266 0.000 2.166) 2.182 13.078 ( 0.483 0.000 -2.032) 2.089======================= Grid point 92 (45/69) =======================q-point: ( 0.22 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( 4.506 0.000 13.341) 14.081 0.940 ( 13.929 0.000 -4.401) 14.608 0.978 ( 0.812 0.000 -6.084) 6.138 1.001 ( 3.012 0.000 8.803) 9.304 1.421 ( 16.986 0.000 -9.215) 19.324 1.483 ( 14.256 0.000 3.595) 14.702 1.580 ( 3.451 0.000 0.686) 3.518 1.639 ( 1.317 0.000 -2.855) 3.145 1.808 ( 11.145 0.000 -2.243) 11.369 1.846 ( 6.124 0.000 -1.293) 6.259 1.972 ( 3.910 0.000 0.455) 3.936 1.999 ( 10.096 0.000 1.575) 10.218 2.494 ( -11.589 0.000 2.504) 11.857 2.604 ( -7.662 0.000 -1.746) 7.859 2.818 ( -2.237 0.000 1.975) 2.984 2.904 ( -0.554 0.000 -2.069) 2.142 3.663 ( -1.086 0.000 2.956) 3.149 3.747 ( 3.106 0.000 -4.715) 5.646 3.900 ( -0.555 0.000 2.317) 2.383 3.928 ( 1.107 0.000 -3.143) 3.332 4.903 ( -6.665 0.000 15.112) 16.516 5.082 ( -4.717 0.000 8.170) 9.434 5.167 ( 3.173 0.000 -11.468) 11.899 5.181 ( 2.664 0.000 -5.534) 6.142 5.247 ( -5.608 0.000 2.320) 6.069 5.316 ( 0.549 0.000 -5.363) 5.391 5.377 ( -1.138 0.000 0.175) 1.152 5.389 ( -0.067 0.000 0.486) 0.491 5.428 ( 2.416 0.000 1.014) 2.620 5.481 ( 3.440 0.000 -5.101) 6.153 5.880 ( 0.947 0.000 -2.480) 2.654 5.890 ( -0.159 0.000 3.208) 3.212 6.207 ( -9.133 0.000 0.185) 9.135 6.266 ( -8.606 0.000 -0.932) 8.656 6.291 ( -2.318 0.000 6.235) 6.652 6.352 ( 4.062 0.000 0.175) 4.066 6.380 ( 3.490 0.000 -0.063) 3.490 6.416 ( 1.633 0.000 -2.891) 3.320 6.438 ( 0.210 0.000 1.165) 1.184 6.479 ( 2.361 0.000 -1.635) 2.872 6.885 ( 5.040 0.000 -0.470) 5.062 6.908 ( 5.070 0.000 0.096) 5.071 7.148 ( -3.828 0.000 -1.000) 3.957 7.174 ( -3.387 0.000 0.866) 3.496 7.338 ( -0.095 0.000 1.434) 1.437 7.348 ( 1.075 0.000 -1.642) 1.963 7.560 ( -4.831 0.000 0.631) 4.872 7.593 ( -4.035 0.000 -0.848) 4.124 7.924 ( -0.337 0.000 0.589) 0.678 7.927 ( -0.129 0.000 -0.618) 0.631 7.968 ( -2.099 0.000 0.429) 2.143 7.991 ( -1.774 0.000 -0.320) 1.802 8.321 ( -0.562 0.000 -0.900) 1.061 8.321 ( -0.707 0.000 0.807) 1.073 8.393 ( 0.633 0.000 1.012) 1.193 8.434 ( 1.243 0.000 -0.149) 1.252 8.469 ( 1.737 0.000 -1.205) 2.114 8.477 ( 0.703 0.000 -0.013) 0.703 8.506 ( 1.387 0.000 0.673) 1.542 8.515 ( 1.549 0.000 0.644) 1.678 8.518 ( 1.032 0.000 -0.337) 1.086 8.538 ( 1.153 0.000 -0.206) 1.171 8.655 ( 0.379 0.000 -0.926) 1.001 8.657 ( 0.852 0.000 0.864) 1.214 8.720 ( 0.382 0.000 -0.123) 0.401 8.737 ( 1.645 0.000 -0.360) 1.684 8.770 ( 0.245 0.000 -0.331) 0.411 8.774 ( -0.718 0.000 0.399) 0.821 8.882 ( 0.488 0.000 0.297) 0.572 8.889 ( 1.013 0.000 0.059) 1.014 8.937 ( 0.565 0.000 0.168) 0.589 8.951 ( -0.931 0.000 -0.010) 0.931 9.038 ( 0.346 0.000 0.402) 0.530 9.038 ( 0.868 0.000 -0.368) 0.943 9.240 ( 3.847 0.000 1.033) 3.984 9.256 ( 5.178 0.000 -1.130) 5.300 9.362 ( -1.100 0.000 0.960) 1.460 9.377 ( -0.062 0.000 -1.074) 1.076 9.405 ( -1.688 0.000 0.516) 1.765 9.418 ( -0.874 0.000 -0.386) 0.956 11.964 ( -0.332 0.000 0.246) 0.413 11.972 ( -0.773 0.000 -0.025) 0.773 12.055 ( 1.527 0.000 -0.073) 1.528 12.070 ( 1.394 0.000 -0.008) 1.394 12.202 ( -0.981 0.000 -0.611) 1.155 12.258 ( -1.368 0.000 2.042) 2.458 12.285 ( -1.572 0.000 -0.140) 1.578 12.303 ( 0.816 0.000 0.451) 0.932 12.330 ( 0.976 0.000 -1.174) 1.527 12.386 ( 0.966 0.000 -1.121) 1.480 12.560 ( -0.251 0.000 -0.907) 0.941 12.621 ( -1.417 0.000 1.619) 2.152 12.655 ( -1.853 0.000 1.361) 2.299 12.668 ( 1.223 0.000 -1.697) 2.092 13.074 ( 0.757 0.000 -1.913) 2.057 13.084 ( 0.205 0.000 1.781) 1.792======================= Grid point 93 (46/69) =======================q-point: ( 0.33 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( -0.796 0.000 3.244) 3.340 1.076 ( 7.275 0.000 10.112) 12.457 1.103 ( 8.951 0.000 -5.352) 10.429 1.178 ( 11.494 0.000 3.694) 12.073 1.526 ( 0.563 0.000 -2.754) 2.811 1.529 ( 1.318 0.000 -2.986) 3.264 1.646 ( 1.703 0.000 -3.657) 4.034 1.680 ( 3.694 0.000 -2.574) 4.502 1.919 ( 3.825 0.000 -2.279) 4.452 1.966 ( 1.362 0.000 2.742) 3.062 2.175 ( 18.418 0.000 -0.245) 18.420 2.228 ( 5.115 0.000 3.156) 6.010 2.368 ( 2.433 0.000 1.639) 2.934 2.455 ( -6.833 0.000 -2.764) 7.370 2.770 ( -4.941 0.000 2.398) 5.492 2.835 ( -5.292 0.000 -2.340) 5.786 3.669 ( -1.030 0.000 3.308) 3.464 3.766 ( 2.988 0.000 -4.906) 5.744 3.905 ( -0.852 0.000 2.114) 2.279 3.928 ( 1.797 0.000 -3.310) 3.766 4.898 ( -6.793 0.000 14.692) 16.187 5.084 ( -1.704 0.000 5.591) 5.845 5.121 ( -0.853 0.000 -3.926) 4.017 5.142 ( -6.742 0.000 2.874) 7.329 5.234 ( 7.776 0.000 -6.869) 10.375 5.268 ( 2.042 0.000 -9.422) 9.641 5.396 ( 2.341 0.000 -1.044) 2.563 5.410 ( 0.852 0.000 0.938) 1.267 5.478 ( 1.760 0.000 1.665) 2.423 5.496 ( 2.446 0.000 -4.300) 4.947 5.882 ( 1.396 0.000 -2.466) 2.834 5.901 ( -1.263 0.000 2.755) 3.031 6.072 ( -6.479 0.000 0.658) 6.513 6.124 ( -6.567 0.000 -1.001) 6.643 6.300 ( -2.166 0.000 6.490) 6.842 6.412 ( 1.905 0.000 -1.310) 2.312 6.432 ( 3.046 0.000 -1.450) 3.373 6.435 ( 3.148 0.000 -0.415) 3.176 6.459 ( 1.247 0.000 1.216) 1.741 6.517 ( 3.062 0.000 -1.672) 3.489 6.887 ( -5.022 0.000 -0.214) 5.027 6.903 ( -5.657 0.000 0.209) 5.661 7.130 ( 3.895 0.000 -1.335) 4.117 7.181 ( 3.713 0.000 1.202) 3.903 7.346 ( -0.311 0.000 1.431) 1.464 7.356 ( 1.090 0.000 -1.631) 1.962 7.472 ( -5.581 0.000 0.261) 5.587 7.509 ( -4.977 0.000 -0.423) 4.995 7.920 ( -0.861 0.000 -0.297) 0.910 7.922 ( -0.559 0.000 0.622) 0.837 7.929 ( -1.578 0.000 0.157) 1.586 7.944 ( -2.702 0.000 -0.289) 2.718 8.314 ( -0.818 0.000 1.031) 1.316 8.317 ( 0.655 0.000 -0.746) 0.993 8.410 ( 0.341 0.000 1.068) 1.121 8.447 ( 0.480 0.000 -0.531) 0.716 8.479 ( 0.873 0.000 -1.309) 1.573 8.482 ( -0.074 0.000 0.284) 0.293 8.531 ( 0.474 0.000 0.285) 0.553 8.538 ( 1.788 0.000 -0.855) 1.982 8.564 ( 1.946 0.000 0.496) 2.008 8.570 ( 3.170 0.000 0.768) 3.262 8.661 ( 0.965 0.000 -0.819) 1.265 8.677 ( 0.542 0.000 0.503) 0.740 8.725 ( 0.288 0.000 0.031) 0.290 8.734 ( -0.962 0.000 -0.320) 1.014 8.776 ( 0.534 0.000 -0.048) 0.536 8.790 ( 1.496 0.000 0.071) 1.498 8.907 ( 1.815 0.000 0.544) 1.895 8.913 ( 1.812 0.000 -0.285) 1.834 8.951 ( 0.923 0.000 -0.114) 0.930 8.952 ( 0.797 0.000 0.266) 0.840 9.040 ( -0.528 0.000 0.249) 0.584 9.044 ( -0.165 0.000 -0.285) 0.329 9.298 ( 1.637 0.000 0.945) 1.890 9.313 ( 1.707 0.000 -0.864) 1.913 9.355 ( -0.072 0.000 0.744) 0.747 9.370 ( 0.333 0.000 -0.960) 1.016 9.381 ( -1.257 0.000 0.613) 1.399 9.404 ( -0.247 0.000 -0.503) 0.560 11.960 ( -0.278 0.000 0.121) 0.303 11.960 ( -0.532 0.000 0.094) 0.540 12.079 ( 1.213 0.000 0.056) 1.214 12.092 ( 1.038 0.000 -0.054) 1.039 12.186 ( -0.454 0.000 -0.074) 0.460 12.238 ( -1.761 0.000 0.388) 1.804 12.266 ( -1.054 0.000 1.359) 1.720 12.324 ( 0.950 0.000 0.653) 1.152 12.333 ( 0.672 0.000 -1.927) 2.041 12.388 ( 0.293 0.000 -1.164) 1.200 12.555 ( 0.283 0.000 -0.626) 0.687 12.592 ( -2.286 0.000 0.702) 2.392 12.637 ( -1.471 0.000 1.932) 2.428 12.687 ( 1.542 0.000 -1.252) 1.986 13.076 ( 1.044 0.000 -1.490) 1.819 13.095 ( -0.370 0.000 1.275) 1.328======================= Grid point 94 (47/69) =======================q-point: ( 0.44 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( -2.989 0.000 9.103) 9.581 1.206 ( 8.711 0.000 -10.951) 13.993 1.245 ( 1.930 0.000 10.801) 10.972 1.385 ( 7.994 0.000 2.021) 8.246 1.472 ( -4.899 0.000 1.299) 5.068 1.531 ( 3.878 0.000 -5.558) 6.777 1.619 ( -1.953 0.000 -3.071) 3.639 1.693 ( 1.659 0.000 -5.534) 5.778 1.954 ( 1.290 0.000 1.041) 1.658 1.970 ( -2.688 0.000 2.563) 3.714 2.221 ( -0.922 0.000 2.815) 2.963 2.335 ( -3.503 0.000 -3.455) 4.920 2.449 ( 11.585 0.000 1.444) 11.674 2.555 ( 8.333 0.000 0.306) 8.338 2.692 ( -6.071 0.000 2.213) 6.462 2.705 ( -5.622 0.000 -2.920) 6.335 3.677 ( -1.012 0.000 3.600) 3.740 3.772 ( 2.149 0.000 -5.215) 5.641 3.900 ( -1.349 0.000 1.855) 2.293 3.941 ( 2.611 0.000 -3.610) 4.455 4.887 ( -6.788 0.000 14.015) 15.573 5.064 ( 0.469 0.000 -3.825) 3.854 5.073 ( -3.483 0.000 3.660) 5.052 5.125 ( -2.166 0.000 7.484) 7.792 5.250 ( 4.337 0.000 -10.758) 11.600 5.319 ( 7.045 0.000 -8.631) 11.142 5.420 ( -0.606 0.000 0.817) 1.017 5.425 ( 1.510 0.000 -0.751) 1.686 5.503 ( -0.500 0.000 1.038) 1.152 5.513 ( 3.041 0.000 -2.710) 4.073 5.882 ( -3.342 0.000 2.825) 4.376 5.895 ( 2.286 0.000 -2.229) 3.192 5.997 ( -2.457 0.000 0.985) 2.647 6.031 ( -2.748 0.000 -1.127) 2.969 6.312 ( -2.189 0.000 6.460) 6.821 6.417 ( 1.373 0.000 -3.332) 3.604 6.476 ( 1.502 0.000 0.667) 1.644 6.484 ( 2.231 0.000 -0.311) 2.252 6.497 ( 1.580 0.000 1.210) 1.990 6.549 ( 1.889 0.000 -2.079) 2.809 6.779 ( -4.644 0.000 -0.087) 4.645 6.788 ( -5.502 0.000 0.195) 5.506 7.225 ( 6.861 0.000 -1.139) 6.955 7.266 ( 2.257 0.000 1.470) 2.694 7.349 ( -0.374 0.000 1.334) 1.386 7.353 ( -0.221 0.000 -1.183) 1.203 7.387 ( -2.038 0.000 -0.789) 2.185 7.411 ( -5.882 0.000 0.058) 5.882 7.894 ( -0.956 0.000 0.256) 0.989 7.898 ( -1.328 0.000 0.194) 1.342 7.925 ( -0.267 0.000 0.130) 0.297 7.926 ( 0.355 0.000 -0.367) 0.510 8.308 ( -0.775 0.000 1.123) 1.364 8.324 ( 0.699 0.000 -0.822) 1.079 8.421 ( 0.008 0.000 1.066) 1.066 8.446 ( 0.053 0.000 -0.709) 0.711 8.480 ( -0.418 0.000 0.241) 0.482 8.484 ( 0.675 0.000 -0.958) 1.172 8.537 ( -0.026 0.000 0.394) 0.395 8.551 ( 0.703 0.000 -1.029) 1.246 8.606 ( 1.822 0.000 0.571) 1.910 8.619 ( 1.222 0.000 0.644) 1.381 8.674 ( 0.999 0.000 -0.529) 1.130 8.681 ( -0.295 0.000 0.101) 0.312 8.718 ( -0.310 0.000 -0.178) 0.357 8.725 ( -0.458 0.000 -0.042) 0.460 8.787 ( 0.559 0.000 0.442) 0.712 8.805 ( 0.236 0.000 -0.320) 0.398 8.936 ( 0.510 0.000 0.496) 0.711 8.939 ( 1.108 0.000 -0.356) 1.164 8.977 ( 2.304 0.000 -0.041) 2.304 8.981 ( 2.102 0.000 0.188) 2.110 9.021 ( -1.804 0.000 0.108) 1.807 9.024 ( -1.815 0.000 -0.245) 1.831 9.310 ( -0.403 0.000 0.512) 0.651 9.314 ( -0.207 0.000 -0.123) 0.241 9.362 ( -0.115 0.000 0.460) 0.474 9.373 ( 0.492 0.000 -0.750) 0.897 9.377 ( -0.049 0.000 1.002) 1.003 9.403 ( 0.634 0.000 -1.076) 1.249 11.955 ( -0.195 0.000 0.146) 0.243 11.957 ( -0.096 0.000 -0.018) 0.098 12.096 ( 0.565 0.000 0.165) 0.589 12.104 ( 0.295 0.000 -0.122) 0.319 12.186 ( 0.322 0.000 0.365) 0.487 12.211 ( -1.251 0.000 -0.207) 1.268 12.265 ( -0.446 0.000 1.939) 1.989 12.325 ( 0.444 0.000 -2.627) 2.664 12.344 ( 0.636 0.000 0.810) 1.030 12.379 ( -0.285 0.000 -1.108) 1.144 12.559 ( 0.691 0.000 -0.524) 0.867 12.562 ( -1.466 0.000 0.563) 1.571 12.637 ( -0.417 0.000 2.463) 2.498 12.694 ( 0.473 0.000 -1.755) 1.818 13.088 ( 1.328 0.000 -0.955) 1.635 13.089 ( -1.124 0.000 0.847) 1.407======================= Grid point 95 (48/69) =======================q-point: (-0.44 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -6.250 0.000 11.158) 12.789 1.158 ( -6.053 0.000 -7.713) 9.804 1.291 ( -4.950 0.000 8.329) 9.689 1.417 ( -1.369 0.000 1.481) 2.017 1.481 ( 2.820 0.000 -9.560) 9.967 1.559 ( 2.834 0.000 -4.832) 5.602 1.580 ( -0.528 0.000 5.285) 5.312 1.666 ( 0.673 0.000 -5.988) 6.025 1.918 ( -5.585 0.000 3.683) 6.690 1.992 ( 1.734 0.000 1.070) 2.038 2.263 ( 2.726 0.000 3.526) 4.457 2.294 ( 2.403 0.000 -4.043) 4.703 2.482 ( -11.565 0.000 -1.707) 11.691 2.557 ( -9.233 0.000 0.205) 9.235 2.640 ( 6.887 0.000 3.378) 7.671 2.732 ( 6.335 0.000 -1.842) 6.597 3.686 ( -1.198 0.000 3.610) 3.804 3.765 ( 1.667 0.000 -5.332) 5.587 3.889 ( -1.285 0.000 1.500) 1.975 3.959 ( 2.504 0.000 -3.846) 4.590 4.877 ( -6.262 0.000 13.771) 15.128 5.071 ( 2.760 0.000 -2.560) 3.764 5.077 ( 0.432 0.000 4.197) 4.219 5.125 ( -3.411 0.000 5.952) 6.860 5.247 ( 4.345 0.000 -10.568) 11.426 5.323 ( 1.501 0.000 -9.116) 9.238 5.403 ( -1.953 0.000 1.077) 2.230 5.432 ( -0.839 0.000 0.601) 1.032 5.479 ( -1.807 0.000 -0.426) 1.856 5.551 ( 2.510 0.000 -3.033) 3.937 5.842 ( -3.153 0.000 3.227) 4.512 5.925 ( 2.265 0.000 -1.579) 2.761 6.007 ( 2.714 0.000 1.158) 2.951 6.019 ( 2.403 0.000 -1.183) 2.679 6.319 ( -2.488 0.000 6.393) 6.860 6.413 ( 1.173 0.000 -3.720) 3.901 6.478 ( -2.055 0.000 0.249) 2.070 6.489 ( -1.326 0.000 -0.446) 1.399 6.506 ( -1.803 0.000 2.031) 2.715 6.531 ( -1.843 0.000 -2.008) 2.726 6.778 ( 4.534 0.000 0.028) 4.534 6.790 ( 5.634 0.000 -0.058) 5.634 7.205 ( -6.679 0.000 0.753) 6.721 7.286 ( -3.665 0.000 -0.497) 3.698 7.331 ( -0.981 0.000 1.018) 1.414 7.378 ( 0.567 0.000 -1.416) 1.526 7.379 ( 4.854 0.000 -0.083) 4.854 7.411 ( 5.273 0.000 0.103) 5.274 7.896 ( 0.882 0.000 0.080) 0.886 7.898 ( 1.264 0.000 0.182) 1.277 7.922 ( -0.120 0.000 0.059) 0.134 7.930 ( 0.392 0.000 -0.371) 0.539 8.305 ( -0.640 0.000 1.075) 1.251 8.329 ( 0.601 0.000 -0.854) 1.044 8.428 ( -0.132 0.000 1.086) 1.094 8.440 ( -0.058 0.000 -0.813) 0.815 8.472 ( -0.739 0.000 0.324) 0.807 8.488 ( 0.424 0.000 -0.654) 0.779 8.535 ( -0.664 0.000 0.546) 0.859 8.550 ( 0.055 0.000 -0.875) 0.877 8.612 ( -1.851 0.000 0.079) 1.853 8.619 ( -1.217 0.000 0.531) 1.328 8.670 ( -1.025 0.000 -0.064) 1.027 8.684 ( 0.521 0.000 -0.315) 0.608 8.716 ( -0.015 0.000 0.031) 0.034 8.723 ( 0.563 0.000 0.038) 0.565 8.796 ( -0.872 0.000 -0.379) 0.951 8.797 ( -0.016 0.000 0.472) 0.473 8.932 ( -1.183 0.000 0.320) 1.225 8.945 ( -0.120 0.000 -0.336) 0.357 8.977 ( -2.738 0.000 -0.029) 2.738 8.984 ( -1.854 0.000 -0.093) 1.856 9.019 ( 1.764 0.000 0.214) 1.777 9.023 ( 1.975 0.000 -0.144) 1.980 9.307 ( -0.299 0.000 0.520) 0.600 9.316 ( 0.390 0.000 -0.016) 0.390 9.360 ( -0.431 0.000 0.405) 0.591 9.374 ( -0.250 0.000 -0.363) 0.441 9.383 ( 0.215 0.000 0.702) 0.734 9.399 ( -0.138 0.000 -1.139) 1.147 11.956 ( 0.172 0.000 0.111) 0.205 11.957 ( 0.159 0.000 -0.068) 0.173 12.100 ( -0.595 0.000 -0.163) 0.617 12.100 ( -0.290 0.000 0.199) 0.352 12.194 ( -0.525 0.000 -0.342) 0.626 12.203 ( 1.144 0.000 0.585) 1.285 12.278 ( 0.096 0.000 2.010) 2.013 12.313 ( 0.619 0.000 -2.766) 2.834 12.357 ( 0.116 0.000 1.072) 1.078 12.363 ( -0.631 0.000 -1.049) 1.224 12.550 ( -0.420 0.000 0.350) 0.547 12.573 ( 1.397 0.000 -0.488) 1.480 12.653 ( -0.157 0.000 2.381) 2.386 12.682 ( -0.011 0.000 -1.977) 1.977 13.070 ( -1.596 0.000 0.753) 1.765 13.105 ( 1.205 0.000 -0.704) 1.396======================= Grid point 96 (49/69) =======================q-point: (-0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -10.400 0.000 10.635) 14.875 0.969 ( -11.473 0.000 1.905) 11.630 1.227 ( -4.618 0.000 1.300) 4.798 1.287 ( -6.143 0.000 -9.420) 11.245 1.522 ( -5.614 0.000 -1.539) 5.821 1.523 ( 5.005 0.000 -3.245) 5.964 1.613 ( -0.579 0.000 3.329) 3.379 1.633 ( -0.679 0.000 -2.961) 3.038 1.843 ( -6.259 0.000 4.816) 7.898 2.005 ( -1.145 0.000 -1.014) 1.529 2.188 ( -19.319 0.000 -1.307) 19.363 2.281 ( -11.024 0.000 -1.856) 11.179 2.384 ( 6.597 0.000 4.421) 7.941 2.407 ( 3.972 0.000 -2.359) 4.620 2.781 ( 5.310 0.000 2.946) 6.073 2.818 ( 4.921 0.000 -2.302) 5.433 3.686 ( -1.845 0.000 3.269) 3.754 3.753 ( 1.540 0.000 -5.198) 5.421 3.882 ( -0.552 0.000 1.175) 1.299 3.968 ( 1.864 0.000 -4.001) 4.414 4.877 ( -6.028 0.000 14.545) 15.745 5.060 ( -5.034 0.000 5.876) 7.738 5.145 ( 3.373 0.000 3.866) 5.130 5.157 ( 5.786 0.000 -3.567) 6.797 5.248 ( 5.551 0.000 -10.805) 12.147 5.267 ( 0.424 0.000 -7.844) 7.856 5.375 ( -1.714 0.000 0.675) 1.843 5.410 ( -2.527 0.000 2.462) 3.528 5.447 ( -1.363 0.000 -1.119) 1.764 5.539 ( -0.454 0.000 -3.800) 3.827 5.827 ( -1.619 0.000 3.132) 3.526 5.940 ( 0.763 0.000 -1.286) 1.495 6.089 ( 6.150 0.000 -1.046) 6.238 6.101 ( 6.489 0.000 1.248) 6.608 6.321 ( -2.791 0.000 6.354) 6.940 6.402 ( 0.458 0.000 -3.333) 3.364 6.431 ( -2.334 0.000 -0.456) 2.378 6.439 ( -3.638 0.000 -0.701) 3.705 6.479 ( -2.976 0.000 2.023) 3.599 6.490 ( -0.797 0.000 -1.698) 1.876 6.885 ( 5.106 0.000 -0.003) 5.106 6.906 ( 5.385 0.000 -0.031) 5.385 7.107 ( -3.906 0.000 0.838) 3.995 7.196 ( -4.018 0.000 -0.324) 4.031 7.325 ( -1.057 0.000 1.341) 1.708 7.375 ( 0.293 0.000 -1.417) 1.447 7.483 ( 6.293 0.000 -0.859) 6.352 7.500 ( 4.495 0.000 0.452) 4.518 7.912 ( 0.063 0.000 0.462) 0.466 7.933 ( 0.392 0.000 -0.321) 0.506 7.937 ( 2.423 0.000 -0.484) 2.471 7.938 ( 2.722 0.000 0.128) 2.725 8.301 ( -0.482 0.000 0.802) 0.936 8.333 ( 0.645 0.000 -0.809) 1.035 8.431 ( -0.263 0.000 -0.952) 0.988 8.431 ( -0.406 0.000 1.015) 1.093 8.459 ( -1.083 0.000 0.666) 1.271 8.487 ( -0.242 0.000 -0.325) 0.405 8.522 ( -1.216 0.000 0.657) 1.382 8.540 ( -0.548 0.000 -0.665) 0.862 8.575 ( -1.897 0.000 -0.389) 1.937 8.576 ( -3.382 0.000 0.113) 3.384 8.649 ( -1.186 0.000 0.328) 1.230 8.685 ( -0.232 0.000 -0.341) 0.413 8.726 ( -0.254 0.000 -0.148) 0.294 8.726 ( 0.578 0.000 0.417) 0.713 8.775 ( -1.047 0.000 0.014) 1.047 8.790 ( -0.872 0.000 0.019) 0.872 8.908 ( -1.455 0.000 0.225) 1.472 8.918 ( -2.132 0.000 -0.478) 2.185 8.949 ( -0.572 0.000 0.084) 0.578 8.957 ( -1.031 0.000 -0.144) 1.041 9.038 ( 0.141 0.000 0.256) 0.292 9.045 ( 0.653 0.000 -0.235) 0.694 9.293 ( -2.477 0.000 0.997) 2.671 9.315 ( -1.053 0.000 -0.657) 1.241 9.351 ( -0.776 0.000 0.779) 1.099 9.368 ( 0.391 0.000 -0.444) 0.591 9.395 ( 0.739 0.000 0.263) 0.784 9.395 ( 0.953 0.000 -0.757) 1.217 11.962 ( 0.401 0.000 -0.022) 0.402 11.962 ( 0.485 0.000 -0.043) 0.487 12.082 ( -1.252 0.000 -0.166) 1.263 12.090 ( -1.022 0.000 0.164) 1.035 12.188 ( 0.116 0.000 -0.216) 0.245 12.233 ( 1.707 0.000 0.631) 1.820 12.295 ( 0.092 0.000 1.754) 1.757 12.306 ( 0.907 0.000 -2.379) 2.546 12.343 ( -0.582 0.000 -1.300) 1.424 12.365 ( -0.172 0.000 1.183) 1.195 12.547 ( -0.296 0.000 0.130) 0.323 12.599 ( 1.641 0.000 0.091) 1.644 12.662 ( -0.508 0.000 1.264) 1.363 12.673 ( 0.796 0.000 -1.649) 1.831 13.049 ( -1.549 0.000 1.139) 1.923 13.116 ( 0.634 0.000 -0.846) 1.057======================= Grid point 97 (50/69) =======================q-point: (-0.22 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( -14.297 0.000 10.260) 17.598 0.812 ( -10.932 0.000 9.506) 14.487 1.126 ( -2.680 0.000 -11.281) 11.595 1.187 ( 1.720 0.000 -6.693) 6.910 1.291 ( -22.027 0.000 3.571) 22.315 1.545 ( -4.780 0.000 -2.762) 5.520 1.597 ( -2.190 0.000 0.790) 2.328 1.610 ( 0.332 0.000 -1.571) 1.606 1.757 ( -20.450 0.000 1.136) 20.481 1.779 ( -5.086 0.000 4.693) 6.920 1.995 ( -2.743 0.000 -1.035) 2.931 2.038 ( -10.374 0.000 -2.157) 10.596 2.545 ( 10.531 0.000 -2.563) 10.838 2.553 ( 8.429 0.000 3.296) 9.051 2.854 ( 0.484 0.000 2.783) 2.825 2.861 ( 1.962 0.000 -2.243) 2.980 3.673 ( -2.061 0.000 2.832) 3.503 3.742 ( 1.735 0.000 -5.031) 5.322 3.884 ( -0.392 0.000 1.188) 1.251 3.965 ( 1.369 0.000 -4.049) 4.274 4.883 ( -6.201 0.000 15.278) 16.488 5.038 ( -2.239 0.000 6.560) 6.932 5.205 ( 6.199 0.000 -12.346) 13.815 5.224 ( 0.777 0.000 4.083) 4.157 5.244 ( 3.993 0.000 -7.224) 8.254 5.303 ( 5.786 0.000 -3.616) 6.824 5.374 ( 2.308 0.000 -0.084) 2.309 5.391 ( -1.546 0.000 3.229) 3.580 5.408 ( -1.932 0.000 -1.057) 2.202 5.491 ( -1.521 0.000 -4.068) 4.343 5.825 ( -1.371 0.000 3.142) 3.428 5.935 ( -0.028 0.000 -1.498) 1.499 6.210 ( 8.249 0.000 -0.319) 8.255 6.241 ( 7.824 0.000 1.554) 7.977 6.320 ( -2.469 0.000 6.043) 6.527 6.361 ( -4.311 0.000 -0.578) 4.350 6.367 ( -2.761 0.000 -0.601) 2.826 6.405 ( 0.908 0.000 -3.438) 3.556 6.443 ( -2.403 0.000 1.928) 3.081 6.476 ( 0.503 0.000 -1.839) 1.906 6.876 ( -5.371 0.000 0.356) 5.383 6.908 ( -5.329 0.000 0.100) 5.330 7.129 ( 4.308 0.000 0.806) 4.383 7.187 ( 2.893 0.000 -0.440) 2.926 7.317 ( -0.957 0.000 1.398) 1.694 7.367 ( 0.038 0.000 -1.376) 1.377 7.576 ( 3.762 0.000 0.737) 3.834 7.577 ( 5.224 0.000 -1.071) 5.333 7.916 ( 0.102 0.000 0.534) 0.544 7.936 ( 0.395 0.000 -0.598) 0.716 7.978 ( 2.168 0.000 -0.497) 2.224 7.983 ( 1.500 0.000 0.508) 1.584 8.306 ( 0.602 0.000 0.600) 0.850 8.338 ( 0.477 0.000 -0.845) 0.970 8.415 ( -0.662 0.000 -1.124) 1.304 8.426 ( -0.973 0.000 0.709) 1.203 8.445 ( -1.350 0.000 1.089) 1.735 8.472 ( -1.391 0.000 0.296) 1.422 8.509 ( -2.887 0.000 0.424) 2.918 8.511 ( -0.335 0.000 0.206) 0.394 8.533 ( -0.777 0.000 -0.810) 1.123 8.546 ( -0.920 0.000 -0.806) 1.223 8.638 ( -0.470 0.000 0.746) 0.882 8.672 ( -0.648 0.000 -0.636) 0.908 8.717 ( -0.658 0.000 0.100) 0.666 8.726 ( -1.398 0.000 0.619) 1.529 8.765 ( -0.156 0.000 0.158) 0.222 8.782 ( 0.475 0.000 -0.351) 0.590 8.888 ( -0.710 0.000 -0.295) 0.769 8.890 ( -0.728 0.000 -0.057) 0.730 8.942 ( -0.088 0.000 -0.283) 0.296 8.950 ( 0.460 0.000 0.175) 0.492 9.032 ( -0.938 0.000 0.282) 0.979 9.046 ( -0.177 0.000 -0.339) 0.383 9.233 ( -5.095 0.000 1.099) 5.212 9.260 ( -3.971 0.000 -0.965) 4.086 9.355 ( 0.094 0.000 1.054) 1.059 9.379 ( 1.085 0.000 -0.694) 1.288 9.411 ( 0.836 0.000 0.283) 0.883 9.416 ( 1.617 0.000 -0.569) 1.714 11.970 ( 0.578 0.000 -0.341) 0.671 11.970 ( 0.551 0.000 0.107) 0.561 12.056 ( -1.478 0.000 -0.150) 1.485 12.069 ( -1.412 0.000 0.113) 1.417 12.194 ( 0.551 0.000 0.185) 0.581 12.269 ( 1.637 0.000 0.619) 1.750 12.304 ( -0.419 0.000 1.289) 1.356 12.308 ( 1.067 0.000 -1.740) 2.041 12.323 ( -0.275 0.000 -1.872) 1.892 12.367 ( -0.599 0.000 0.811) 1.008 12.543 ( -0.180 0.000 0.561) 0.589 12.625 ( 0.023 0.000 1.878) 1.878 12.657 ( 0.408 0.000 -1.196) 1.264 12.684 ( 1.514 0.000 -1.325) 2.012 13.036 ( -1.168 0.000 1.764) 2.116 13.114 ( 0.050 0.000 -1.212) 1.213======================= Grid point 98 (51/69) =======================q-point: (-0.11 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 69Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( -17.527 0.000 7.946) 19.244 0.738 ( -7.598 0.000 14.049) 15.972 0.877 ( -25.019 0.000 11.623) 27.587 0.975 ( -11.753 0.000 -8.817) 14.693 1.168 ( 2.829 0.000 -11.359) 11.706 1.201 ( -12.273 0.000 -10.501) 16.152 1.581 ( -1.304 0.000 3.157) 3.416 1.623 ( 1.490 0.000 -1.622) 2.203 1.650 ( -1.185 0.000 3.740) 3.923 1.735 ( -3.657 0.000 3.896) 5.344 1.910 ( -2.936 0.000 -2.418) 3.803 1.941 ( -2.395 0.000 -1.303) 2.726 2.695 ( 7.589 0.000 -1.605) 7.757 2.698 ( 4.994 0.000 2.060) 5.402 2.851 ( -2.517 0.000 2.493) 3.542 2.863 ( 0.650 0.000 -2.063) 2.163 3.662 ( -1.528 0.000 2.635) 3.046 3.737 ( 1.908 0.000 -4.983) 5.335 3.885 ( -0.726 0.000 1.621) 1.776 3.956 ( 1.060 0.000 -3.902) 4.044 4.891 ( -6.226 0.000 15.486) 16.691 5.081 ( 1.071 0.000 6.339) 6.428 5.209 ( 5.633 0.000 -13.474) 14.604 5.235 ( -1.915 0.000 3.706) 4.171 5.284 ( 6.395 0.000 -7.540) 9.887 5.316 ( -0.956 0.000 -1.002) 1.385 5.353 ( -3.462 0.000 1.180) 3.658 5.422 ( -1.734 0.000 -3.632) 4.025 5.452 ( 4.017 0.000 -0.386) 4.036 5.456 ( 5.091 0.000 -0.463) 5.112 5.828 ( -1.051 0.000 3.447) 3.604 5.920 ( -0.160 0.000 -1.950) 1.956 6.279 ( -3.336 0.000 0.785) 3.427 6.303 ( -3.441 0.000 -0.070) 3.442 6.310 ( -2.791 0.000 5.576) 6.235 6.369 ( 7.465 0.000 1.235) 7.566 6.402 ( 1.900 0.000 -3.886) 4.326 6.419 ( 8.162 0.000 0.919) 8.213 6.442 ( 2.523 0.000 0.950) 2.696 6.478 ( 2.077 0.000 -2.101) 2.954 6.761 ( -7.541 0.000 0.438) 7.554 6.770 ( -9.586 0.000 0.280) 9.590 7.205 ( 3.022 0.000 0.733) 3.110 7.235 ( 2.108 0.000 -0.315) 2.131 7.315 ( -0.498 0.000 1.375) 1.463 7.356 ( 0.016 0.000 -1.371) 1.371 7.639 ( 2.454 0.000 0.845) 2.596 7.648 ( 3.638 0.000 -1.078) 3.794 7.923 ( 0.133 0.000 0.576) 0.591 7.939 ( 0.444 0.000 -0.651) 0.788 7.992 ( -0.735 0.000 0.742) 1.044 7.999 ( 0.809 0.000 -0.559) 0.983 8.330 ( 1.177 0.000 0.358) 1.230 8.336 ( -0.007 0.000 -0.612) 0.613 8.398 ( 0.103 0.000 -0.788) 0.795 8.411 ( -1.033 0.000 0.399) 1.107 8.423 ( -1.961 0.000 0.822) 2.126 8.448 ( -1.420 0.000 0.117) 1.425 8.478 ( -1.216 0.000 1.422) 1.871 8.510 ( -0.163 0.000 0.321) 0.360 8.520 ( -0.044 0.000 -0.834) 0.835 8.529 ( -0.005 0.000 -1.551) 1.551 8.642 ( 0.022 0.000 0.970) 0.970 8.662 ( 0.288 0.000 -0.850) 0.897 8.701 ( -1.391 0.000 0.378) 1.441 8.704 ( -0.978 0.000 0.325) 1.031 8.770 ( 0.497 0.000 -0.024) 0.498 8.788 ( 0.137 0.000 -0.293) 0.323 8.881 ( -0.137 0.000 -0.185) 0.230 8.884 ( -0.132 0.000 0.102) 0.167 8.952 ( 2.179 0.000 -0.767) 2.310 8.981 ( 2.598 0.000 0.543) 2.654 9.016 ( -0.956 0.000 0.472) 1.066 9.042 ( 0.445 0.000 -0.572) 0.725 9.141 ( -5.960 0.000 0.950) 6.036 9.173 ( -4.946 0.000 -0.818) 5.013 9.365 ( 0.059 0.000 1.052) 1.054 9.389 ( 0.666 0.000 -0.789) 1.032 9.427 ( 0.558 0.000 0.369) 0.669 9.436 ( 1.055 0.000 -0.514) 1.174 11.976 ( 0.509 0.000 -0.494) 0.709 11.981 ( 0.326 0.000 0.296) 0.441 12.031 ( -0.991 0.000 -0.210) 1.013 12.044 ( -1.489 0.000 0.141) 1.495 12.209 ( 0.794 0.000 0.765) 1.103 12.283 ( -0.560 0.000 -0.361) 0.666 12.301 ( -0.718 0.000 0.923) 1.169 12.312 ( 0.679 0.000 -1.474) 1.623 12.322 ( 1.913 0.000 -1.247) 2.283 12.354 ( -1.414 0.000 0.642) 1.553 12.554 ( 0.574 0.000 1.219) 1.347 12.618 ( -1.692 0.000 1.220) 2.085 12.669 ( 1.403 0.000 -0.978) 1.710 12.699 ( 1.108 0.000 -1.291) 1.701 13.035 ( -0.685 0.000 2.202) 2.306 13.102 ( -0.131 0.000 -1.609) 1.615======================= Grid point 99 (52/69) =======================q-point: ( 0.00 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.423 ( -0.090 -0.886 10.810) 10.847 0.603 ( -0.461 0.884 10.349) 10.397 0.619 ( -3.226 -2.648 -6.315) 7.570 0.877 ( 4.934 -6.554 -13.893) 16.135 1.070 ( -3.616 10.088 11.916) 16.026 1.257 ( -0.027 5.313 -6.148) 8.125 1.523 ( 1.308 -3.124 1.352) 3.646 1.572 ( -0.397 -4.297 -3.444) 5.521 1.729 ( 0.326 0.339 1.339) 1.420 1.738 ( 0.797 1.715 0.816) 2.060 1.851 ( -0.597 -2.552 0.639) 2.698 1.883 ( 0.482 -0.110 -1.589) 1.664 2.703 ( -1.221 -1.978 0.521) 2.382 2.728 ( 1.465 -2.585 -1.909) 3.531 2.861 ( -1.412 2.077 1.958) 3.184 2.891 ( 1.290 1.007 -0.981) 1.908 3.719 ( -1.625 4.829 4.106) 6.544 3.787 ( 0.910 3.594 -1.763) 4.105 3.902 ( -0.097 1.153 0.787) 1.399 3.942 ( 0.431 -0.324 -2.623) 2.678 4.774 ( -3.214 -5.661 8.436) 10.656 4.979 ( 3.815 -11.820 -11.754) 17.100 5.186 ( -0.438 -1.782 2.148) 2.825 5.238 ( 1.062 -2.571 -2.411) 3.681 5.324 ( -2.530 9.578 8.522) 13.068 5.356 ( -1.903 2.946 2.577) 4.352 5.400 ( 0.301 0.976 -1.217) 1.588 5.492 ( 0.999 3.584 -2.255) 4.351 5.514 ( 0.813 1.408 -0.681) 1.762 5.539 ( 2.282 6.711 -6.340) 9.510 5.759 ( -1.623 -6.764 5.893) 9.117 5.855 ( 0.733 -4.217 -3.826) 5.741 6.255 ( 0.242 0.056 0.329) 0.413 6.259 ( -0.394 -0.150 -0.189) 0.462 6.337 ( -1.824 2.225 3.717) 4.700 6.399 ( 1.316 -0.419 -2.380) 2.751 6.426 ( -0.261 0.638 1.536) 1.684 6.458 ( 0.409 -0.337 -1.544) 1.633 6.566 ( -0.610 -0.919 0.544) 1.230 6.574 ( 0.546 -1.347 -0.160) 1.462 6.619 ( 0.815 0.092 0.238) 0.854 6.625 ( -0.276 0.002 -0.349) 0.445 7.231 ( 0.191 -0.443 0.435) 0.649 7.240 ( -0.096 -0.632 -0.469) 0.792 7.339 ( -0.057 1.215 0.842) 1.479 7.356 ( 0.125 0.472 -0.836) 0.968 7.667 ( -0.485 0.278 0.548) 0.783 7.679 ( 0.551 -0.157 -0.694) 0.900 7.930 ( -0.159 0.210 0.463) 0.533 7.939 ( 0.131 -0.094 -0.473) 0.499 7.984 ( -0.316 -0.040 0.664) 0.736 7.997 ( 0.276 -0.479 -0.588) 0.807 8.337 ( 0.240 0.456 0.241) 0.569 8.346 ( -0.144 0.735 -0.584) 0.950 8.384 ( -0.469 -1.131 0.743) 1.432 8.396 ( 0.225 -0.849 -0.356) 0.948 8.415 ( 0.689 0.013 0.232) 0.727 8.423 ( -0.357 -0.204 -0.522) 0.664 8.477 ( -0.297 -0.052 0.810) 0.864 8.493 ( 0.202 -0.920 -0.908) 1.308 8.524 ( -0.230 1.090 0.953) 1.466 8.541 ( 0.197 0.604 -0.684) 0.933 8.649 ( -0.520 0.340 0.640) 0.892 8.664 ( 0.483 -0.199 -0.779) 0.938 8.689 ( 0.055 -0.112 0.251) 0.281 8.694 ( 0.007 -0.138 -0.206) 0.248 8.781 ( -0.086 0.370 0.504) 0.631 8.790 ( 0.074 0.328 -0.338) 0.477 8.878 ( -0.305 -0.015 0.167) 0.348 8.881 ( 0.277 -0.083 -0.118) 0.312 8.992 ( -1.639 0.428 0.155) 1.701 8.996 ( 1.098 0.273 -0.185) 1.147 9.036 ( -0.208 -0.105 1.251) 1.272 9.057 ( 0.758 -0.750 -0.566) 1.208 9.079 ( 1.203 0.192 -0.150) 1.227 9.085 ( -1.337 -0.056 -0.543) 1.444 9.374 ( -0.166 0.259 0.722) 0.785 9.389 ( 0.201 -0.219 -0.707) 0.767 9.435 ( -0.126 0.134 0.252) 0.312 9.442 ( 0.143 -0.124 -0.384) 0.428 11.982 ( -0.539 0.183 0.194) 0.601 11.987 ( 0.717 0.032 -0.312) 0.782 12.021 ( -0.645 -0.125 0.196) 0.685 12.024 ( 0.511 -0.207 -0.142) 0.570 12.240 ( 0.628 0.652 1.084) 1.412 12.259 ( -0.797 -0.038 -0.773) 1.111 12.301 ( -0.635 0.341 0.782) 1.064 12.319 ( 0.184 0.230 -0.798) 0.851 12.330 ( -0.811 -0.301 0.487) 0.992 12.345 ( 1.698 -0.348 -0.953) 1.978 12.555 ( 0.237 -1.003 0.991) 1.430 12.579 ( -0.289 -1.513 -1.270) 1.996 12.697 ( -0.132 1.436 1.237) 1.900 12.720 ( 0.091 0.917 -0.880) 1.274 13.049 ( -0.092 0.382 1.573) 1.621 13.080 ( 0.087 -0.668 -1.456) 1.604======================= Grid point 100 (53/69) =======================q-point: ( 0.11 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 4.542 -3.734 13.158) 14.412 0.719 ( 14.673 -3.080 -8.004) 16.996 0.942 ( 19.093 0.059 -5.142) 19.774 0.976 ( 19.647 0.706 -1.112) 19.691 1.107 ( 0.293 7.732 10.397) 12.960 1.224 ( 4.242 2.371 -3.912) 6.239 1.548 ( 0.817 -4.454 -1.968) 4.938 1.572 ( 2.390 -1.020 -0.003) 2.599 1.748 ( 2.456 -0.181 -0.410) 2.496 1.786 ( 3.632 1.371 -0.813) 3.966 1.873 ( 2.604 -0.984 1.346) 3.092 1.901 ( 2.790 -0.924 -1.338) 3.230 2.635 ( -7.207 -1.329 0.912) 7.385 2.691 ( -4.345 -2.874 -1.591) 5.447 2.853 ( -0.969 2.075 1.571) 2.777 2.905 ( 1.242 0.215 -1.250) 1.775 3.723 ( -1.544 4.968 4.042) 6.588 3.791 ( 1.199 3.793 -1.941) 4.426 3.909 ( 0.270 1.304 0.690) 1.500 3.936 ( 0.760 -0.003 -2.019) 2.157 4.771 ( -4.469 -6.266 8.890) 11.759 4.949 ( 2.900 -11.713 -10.930) 16.281 5.184 ( -1.902 -0.485 2.724) 3.358 5.242 ( 1.586 -3.116 -3.431) 4.899 5.310 ( -3.440 7.617 6.878) 10.824 5.381 ( -0.450 2.086 -2.231) 3.088 5.393 ( 0.644 3.280 3.008) 4.497 5.458 ( -3.974 1.891 0.975) 4.508 5.481 ( -3.219 1.270 -0.586) 3.510 5.545 ( 4.896 7.786 -7.946) 12.155 5.782 ( -0.849 -6.738 5.733) 8.888 5.843 ( 1.305 -3.924 -3.803) 5.618 6.283 ( 2.469 0.094 0.228) 2.481 6.291 ( 2.577 0.147 0.708) 2.676 6.336 ( -0.796 1.663 2.975) 3.500 6.388 ( -9.269 0.392 -0.129) 9.278 6.403 ( 0.802 -0.527 -2.589) 2.761 6.429 ( -8.360 -0.995 -0.211) 8.421 6.436 ( -0.700 0.658 1.176) 1.518 6.464 ( -0.358 -0.261 -1.179) 1.259 6.763 ( 8.584 -0.227 -0.059) 8.588 6.771 ( 8.930 -0.461 -0.181) 8.944 7.212 ( -2.554 -0.378 -0.329) 2.603 7.217 ( -2.296 -0.616 0.194) 2.385 7.343 ( -0.138 0.985 0.936) 1.365 7.353 ( 0.375 0.544 -1.007) 1.205 7.634 ( -3.474 0.345 0.552) 3.534 7.654 ( -2.619 -0.351 -0.670) 2.726 7.928 ( -0.413 0.121 0.457) 0.627 7.934 ( -0.195 -0.075 -0.447) 0.493 7.986 ( -0.306 0.050 0.502) 0.590 8.000 ( 0.274 -0.403 -0.405) 0.634 8.330 ( -0.806 0.306 0.040) 0.863 8.344 ( -0.552 0.254 -0.443) 0.752 8.378 ( 0.043 -0.360 0.488) 0.608 8.406 ( 1.147 -0.670 -0.230) 1.349 8.434 ( 1.909 -0.017 -0.035) 1.909 8.446 ( 2.206 -0.411 -0.053) 2.245 8.480 ( -0.040 -0.233 0.753) 0.790 8.493 ( 0.500 -0.770 -0.719) 1.166 8.528 ( -0.061 1.177 0.768) 1.407 8.541 ( 0.440 0.726 -0.689) 1.093 8.644 ( -0.339 0.140 0.670) 0.763 8.659 ( -0.218 -0.228 -0.590) 0.668 8.703 ( 1.301 -0.188 0.076) 1.317 8.705 ( 1.036 -0.281 -0.241) 1.100 8.778 ( -0.395 0.429 0.230) 0.627 8.789 ( -0.275 0.203 -0.052) 0.346 8.878 ( 0.096 0.113 0.121) 0.191 8.886 ( 0.167 0.012 -0.072) 0.183 8.946 ( -2.080 0.630 0.332) 2.198 8.980 ( -2.571 -0.495 -0.083) 2.620 9.029 ( 0.280 0.056 -0.280) 0.400 9.031 ( 0.070 0.046 0.290) 0.302 9.154 ( 4.953 -0.042 0.615) 4.991 9.159 ( 5.913 -0.193 -0.760) 5.965 9.373 ( -0.598 0.177 0.707) 0.943 9.384 ( -0.119 -0.178 -0.748) 0.778 9.428 ( -1.002 0.121 0.312) 1.056 9.434 ( -0.669 -0.121 -0.346) 0.763 11.971 ( -0.592 0.192 0.132) 0.636 11.983 ( -0.691 -0.230 -0.150) 0.744 12.031 ( 1.386 0.144 -0.025) 1.394 12.042 ( 1.396 -0.263 -0.018) 1.420 12.235 ( -1.129 0.562 -0.757) 1.471 12.256 ( -0.050 0.038 1.335) 1.337 12.296 ( -0.496 0.148 0.527) 0.739 12.306 ( -1.182 -0.341 0.308) 1.268 12.329 ( 0.750 0.607 -0.873) 1.301 12.367 ( 1.504 -0.546 -1.037) 1.907 12.556 ( -0.425 -0.972 -0.137) 1.070 12.582 ( 0.971 -1.689 0.112) 1.951 12.693 ( -1.328 1.419 1.156) 2.261 12.706 ( -0.749 1.120 -0.924) 1.634 13.063 ( 0.336 0.003 1.526) 1.562 13.073 ( 0.491 -0.337 -1.500) 1.614======================= Grid point 101 (54/69) =======================q-point: ( 0.22 0.25 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( 8.678 -1.933 10.728) 13.934 0.894 ( 12.828 -3.853 -8.663) 15.951 1.025 ( 2.198 3.211 -4.547) 5.985 1.106 ( 0.668 4.876 6.394) 8.069 1.415 ( 13.279 -0.091 -3.103) 13.637 1.471 ( 16.235 -1.352 3.406) 16.644 1.568 ( 3.073 -2.832 0.125) 4.181 1.618 ( 4.241 2.223 -0.496) 4.814 1.813 ( 5.663 -2.180 -2.784) 6.676 1.862 ( 6.981 1.700 -1.088) 7.267 1.964 ( 7.493 0.001 -2.041) 7.766 1.998 ( 10.922 -0.049 2.277) 11.157 2.476 ( -11.246 -0.741 1.842) 11.420 2.564 ( -7.906 -3.199 -2.001) 8.760 2.841 ( -2.223 1.739 1.489) 3.191 2.902 ( -1.046 -0.434 -1.509) 1.886 3.726 ( -1.552 5.005 3.990) 6.586 3.799 ( 1.247 3.406 -1.655) 3.987 3.922 ( 1.120 1.380 -0.685) 1.905 3.936 ( 0.441 0.946 -0.697) 1.255 4.757 ( -4.591 -6.899 8.807) 12.093 4.926 ( 4.098 -11.740 -10.778) 16.456 5.168 ( -2.565 0.647 3.756) 4.594 5.223 ( -1.389 -2.445 -3.183) 4.247 5.284 ( -5.810 5.651 4.846) 9.443 5.364 ( -1.255 0.291 -0.687) 1.460 5.375 ( 0.350 1.841 -0.271) 1.893 5.422 ( 0.561 2.365 -1.924) 3.100 5.469 ( 0.313 4.297 3.666) 5.657 5.573 ( 4.208 6.620 -6.457) 10.160 5.810 ( -0.704 -6.371 4.724) 7.963 5.843 ( 1.637 -3.495 -3.235) 5.036 6.212 ( -8.770 0.540 0.130) 8.788 6.252 ( -8.151 -0.942 -0.279) 8.210 6.322 ( -1.303 2.052 3.077) 3.921 6.361 ( 3.538 0.763 0.038) 3.619 6.375 ( 3.087 -0.479 -0.234) 3.132 6.412 ( 1.794 -0.659 -2.445) 3.103 6.443 ( 0.138 0.565 1.423) 1.538 6.474 ( 2.008 -0.443 -1.044) 2.306 6.887 ( 5.179 0.200 -0.321) 5.192 6.903 ( 5.203 -0.379 0.115) 5.219 7.146 ( -3.749 -0.066 -0.692) 3.813 7.163 ( -3.400 -0.742 0.585) 3.529 7.348 ( -0.085 0.695 0.837) 1.091 7.354 ( 0.734 0.418 -1.162) 1.436 7.564 ( -4.719 0.405 0.578) 4.771 7.589 ( -4.117 -0.384 -0.459) 4.160 7.924 ( -0.311 0.039 0.421) 0.525 7.927 ( -0.189 -0.022 -0.372) 0.417 7.970 ( -1.991 0.196 0.305) 2.024 7.987 ( -1.764 -0.367 -0.242) 1.818 8.316 ( -0.730 -0.042 -0.085) 0.736 8.324 ( -0.692 -0.049 -0.079) 0.698 8.395 ( 0.934 0.294 0.581) 1.138 8.426 ( 1.270 -0.697 -0.512) 1.536 8.470 ( 1.526 0.122 0.021) 1.531 8.482 ( 1.080 0.483 -0.284) 1.217 8.491 ( 1.653 -0.709 0.566) 1.886 8.508 ( 2.049 -0.557 -0.186) 2.132 8.534 ( 0.468 0.888 0.137) 1.013 8.548 ( 0.826 0.517 -0.251) 1.006 8.648 ( 0.381 -0.258 -0.047) 0.462 8.658 ( 0.488 -0.181 0.199) 0.558 8.718 ( 0.553 -0.108 -0.108) 0.574 8.729 ( 1.299 -0.512 -0.211) 1.412 8.777 ( 0.246 0.432 0.227) 0.546 8.779 ( -0.473 0.345 0.062) 0.589 8.882 ( 0.548 0.185 0.176) 0.605 8.893 ( 0.845 0.130 -0.113) 0.862 8.937 ( 0.336 0.086 0.163) 0.383 8.950 ( -0.550 -0.174 -0.032) 0.577 9.039 ( 0.562 0.087 0.131) 0.584 9.040 ( 0.640 0.084 -0.057) 0.648 9.240 ( 4.037 0.082 0.719) 4.101 9.252 ( 4.980 -0.312 -0.818) 5.057 9.364 ( -0.954 0.163 0.666) 1.175 9.375 ( -0.219 -0.186 -0.769) 0.821 9.407 ( -1.548 0.174 0.355) 1.598 9.416 ( -0.987 -0.159 -0.259) 1.032 11.964 ( -0.384 0.053 0.180) 0.427 11.970 ( -0.692 -0.131 0.005) 0.704 12.057 ( 1.529 0.170 -0.055) 1.539 12.068 ( 1.431 -0.216 -0.010) 1.447 12.211 ( -1.013 0.768 -0.475) 1.357 12.254 ( -1.314 -0.609 1.074) 1.803 12.285 ( -1.181 0.194 0.391) 1.260 12.298 ( 0.104 -0.262 0.619) 0.680 12.338 ( 1.017 0.663 -1.077) 1.623 12.380 ( 0.945 -0.640 -1.126) 1.603 12.549 ( -0.011 -0.300 -0.367) 0.474 12.597 ( -0.013 -1.798 0.756) 1.950 12.670 ( -1.640 1.354 0.324) 2.151 12.688 ( -0.500 0.829 -0.298) 1.013 13.073 ( 0.729 0.013 -1.368) 1.550 13.081 ( 0.334 -0.243 1.267) 1.332======================= Grid point 102 (55/69) =======================q-point: ( 0.33 0.25 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 1.312 0.825 1.505) 2.160 1.034 ( 9.497 -1.494 2.527) 9.941 1.093 ( 7.886 -0.298 -1.517) 8.036 1.218 ( 9.777 -0.062 -0.939) 9.822 1.514 ( 0.881 0.132 0.702) 1.134 1.556 ( -0.538 3.212 2.670) 4.211 1.643 ( 2.490 -0.215 -0.284) 2.515 1.718 ( 4.241 1.182 -0.714) 4.460 1.877 ( 4.418 -1.919 -3.856) 6.170 1.948 ( 2.446 -2.219 -0.373) 3.323 2.183 ( 11.271 1.256 -2.375) 11.586 2.259 ( 11.121 1.952 2.435) 11.551 2.340 ( 2.156 -1.823 1.807) 3.353 2.409 ( -6.688 -3.582 -2.248) 7.913 2.789 ( -4.948 1.405 1.685) 5.412 2.834 ( -5.199 -0.245 -1.662) 5.464 3.729 ( -1.603 4.852 4.186) 6.605 3.806 ( 0.712 2.528 -1.356) 2.956 3.936 ( 1.289 0.718 -1.910) 2.413 3.940 ( 0.593 2.593 0.017) 2.660 4.749 ( -3.848 -7.066 8.536) 11.730 4.930 ( 5.531 -11.788 -11.109) 17.116 5.126 ( -5.216 -0.822 2.245) 5.737 5.153 ( -3.238 -1.577 -2.021) 4.130 5.245 ( -2.095 5.937 6.134) 8.789 5.357 ( 1.499 -2.281 -1.582) 3.155 5.408 ( 2.296 4.601 0.719) 5.192 5.446 ( 3.584 3.376 -2.494) 5.520 5.503 ( 0.334 3.234 3.250) 4.597 5.591 ( 2.989 6.163 -5.503) 8.786 5.823 ( -1.699 -6.161 4.041) 7.562 5.848 ( 1.538 -3.295 -2.879) 4.638 6.079 ( -6.442 0.628 0.389) 6.485 6.116 ( -6.485 -0.675 -0.733) 6.561 6.327 ( -1.230 1.968 3.763) 4.421 6.397 ( 1.532 -0.965 -1.897) 2.622 6.430 ( 3.040 -0.141 -0.848) 3.159 6.440 ( 2.717 -0.281 -0.454) 2.769 6.468 ( 1.754 1.154 1.245) 2.441 6.513 ( 2.904 -0.429 -0.775) 3.037 6.890 ( -5.110 0.216 -0.145) 5.116 6.901 ( -5.577 -0.190 0.153) 5.583 7.131 ( 3.749 0.206 -0.938) 3.870 7.166 ( 3.520 -1.137 0.837) 3.793 7.352 ( 0.084 0.450 0.114) 0.471 7.361 ( 0.799 0.274 -0.845) 1.195 7.479 ( -5.502 0.667 0.572) 5.572 7.508 ( -4.900 -0.189 0.040) 4.904 7.922 ( -0.656 0.092 -0.170) 0.684 7.923 ( -0.491 0.038 0.432) 0.655 7.930 ( -1.836 0.093 0.195) 1.848 7.941 ( -2.624 -0.245 -0.200) 2.643 8.309 ( -0.231 -0.142 0.195) 0.334 8.318 ( -0.011 -0.153 -0.181) 0.237 8.412 ( 0.437 0.232 0.533) 0.727 8.437 ( 0.517 -0.692 -0.762) 1.152 8.484 ( 0.465 0.320 -0.090) 0.572 8.490 ( 0.224 0.431 0.132) 0.503 8.527 ( 1.426 0.127 -0.013) 1.432 8.546 ( 1.019 0.471 -0.394) 1.189 8.557 ( 2.759 -0.474 0.266) 2.812 8.570 ( 2.029 -0.180 0.032) 2.038 8.658 ( 0.866 -0.139 -0.242) 0.910 8.671 ( 0.523 -0.469 0.465) 0.843 8.725 ( 0.378 0.101 -0.048) 0.394 8.733 ( -0.413 -0.111 -0.171) 0.460 8.781 ( 0.481 0.461 0.010) 0.666 8.793 ( 1.098 0.115 0.118) 1.110 8.906 ( 1.728 -0.013 0.454) 1.787 8.912 ( 1.541 -0.150 -0.229) 1.565 8.950 ( 1.102 0.178 0.073) 1.119 8.957 ( 1.055 0.143 0.004) 1.065 9.042 ( -0.494 0.129 0.218) 0.555 9.045 ( -0.231 0.047 -0.175) 0.294 9.298 ( 1.638 0.052 0.628) 1.754 9.309 ( 1.797 -0.313 -0.705) 1.955 9.357 ( -0.071 0.187 0.570) 0.604 9.368 ( 0.286 -0.190 -0.684) 0.765 9.385 ( -1.101 0.293 0.397) 1.207 9.400 ( -0.436 -0.290 -0.338) 0.623 11.959 ( -0.340 -0.014 0.108) 0.357 11.960 ( -0.412 -0.016 0.090) 0.422 12.081 ( 1.195 0.154 0.043) 1.205 12.090 ( 1.071 -0.164 -0.034) 1.084 12.194 ( -0.577 0.690 -0.073) 0.902 12.232 ( -1.524 -0.604 0.220) 1.654 12.272 ( -1.011 0.555 1.331) 1.761 12.306 ( 0.241 -0.951 0.292) 1.024 12.347 ( 1.021 0.741 -1.262) 1.784 12.383 ( 0.441 -0.546 -1.243) 1.427 12.549 ( 0.092 -0.026 -0.115) 0.150 12.585 ( -1.707 -0.843 0.503) 1.969 12.651 ( -0.982 1.175 1.056) 1.860 12.687 ( 0.641 -0.155 -0.757) 1.004 13.078 ( 0.870 0.183 -1.072) 1.393 13.091 ( -0.137 -0.280 0.892) 0.945======================= Grid point 103 (56/69) =======================q-point: ( 0.44 0.25 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( -1.842 1.181 5.243) 5.681 1.142 ( 5.944 -4.616 -8.552) 11.392 1.233 ( 2.738 0.197 7.066) 7.581 1.372 ( 8.819 -3.738 -6.171) 11.394 1.508 ( -3.044 4.401 5.686) 7.808 1.580 ( 1.313 5.027 2.423) 5.733 1.651 ( -1.139 1.475 0.202) 1.874 1.750 ( 1.446 3.064 -3.141) 4.619 1.910 ( 1.761 -2.267 -0.876) 3.002 1.957 ( -0.698 -1.881 -1.208) 2.342 2.166 ( -1.748 -3.202 1.460) 3.930 2.279 ( -3.283 -4.597 -4.326) 7.115 2.487 ( 10.937 2.708 1.258) 11.337 2.554 ( 9.356 -0.150 0.638) 9.379 2.701 ( -6.258 0.664 1.259) 6.418 2.712 ( -6.227 0.354 -1.545) 6.425 3.734 ( -1.669 4.501 4.487) 6.571 3.802 ( -0.002 1.911 -1.134) 2.222 3.934 ( -0.506 1.989 0.225) 2.064 3.959 ( 2.418 1.800 -2.802) 4.115 4.747 ( -3.762 -6.793 8.376) 11.422 4.942 ( 5.266 -11.145 -10.925) 16.472 5.062 ( -3.060 -0.448 1.981) 3.673 5.101 ( -0.397 -2.492 -2.510) 3.560 5.275 ( -0.954 5.269 6.786) 8.644 5.370 ( 1.209 -2.311 -2.090) 3.342 5.433 ( -2.067 4.441 3.870) 6.243 5.512 ( 3.736 5.406 -2.314) 6.967 5.531 ( 3.037 2.291 0.069) 3.805 5.590 ( 1.268 6.052 -5.229) 8.098 5.806 ( -4.134 -6.365 4.964) 9.069 5.858 ( 2.584 -3.403 -3.464) 5.500 6.002 ( -2.504 0.394 0.607) 2.607 6.026 ( -2.698 -0.432 -0.902) 2.877 6.334 ( -1.294 1.673 3.810) 4.358 6.402 ( 1.195 -1.169 -2.613) 3.102 6.470 ( 1.782 -0.251 -0.241) 1.816 6.478 ( 1.331 -0.584 -0.193) 1.466 6.516 ( 2.066 1.381 1.238) 2.776 6.552 ( 1.900 0.034 -0.984) 2.140 6.780 ( -4.812 0.098 -0.071) 4.814 6.786 ( -5.409 -0.121 0.132) 5.412 7.220 ( 5.829 -0.307 -0.875) 5.902 7.242 ( 2.414 -1.431 0.839) 2.929 7.354 ( 0.404 0.216 -0.913) 1.022 7.369 ( 0.676 0.070 -0.548) 0.873 7.389 ( -4.528 1.256 1.097) 4.826 7.422 ( -4.304 0.466 0.376) 4.346 7.894 ( -1.026 0.037 0.175) 1.042 7.898 ( -1.243 -0.060 0.087) 1.248 7.926 ( -0.107 0.085 0.193) 0.236 7.928 ( 0.231 0.065 -0.138) 0.277 8.306 ( -0.470 -0.105 0.635) 0.797 8.318 ( 0.367 -0.454 -0.724) 0.930 8.420 ( 0.022 0.007 0.536) 0.536 8.436 ( 0.095 -0.641 -0.752) 0.993 8.488 ( -0.175 0.529 0.371) 0.670 8.494 ( 0.346 0.520 -0.332) 0.707 8.540 ( 0.144 0.452 0.419) 0.633 8.555 ( 0.513 0.377 -0.754) 0.987 8.597 ( 1.238 -0.763 0.291) 1.483 8.606 ( 1.364 -1.018 -0.278) 1.724 8.675 ( 0.983 0.190 0.274) 1.038 8.684 ( 0.536 0.058 0.371) 0.655 8.721 ( -0.516 0.199 -0.293) 0.626 8.726 ( -0.466 0.041 -0.165) 0.496 8.791 ( 0.462 0.352 0.339) 0.673 8.804 ( 0.185 -0.097 -0.188) 0.281 8.935 ( 0.799 -0.053 0.348) 0.874 8.938 ( 1.048 -0.101 0.045) 1.054 8.979 ( 2.139 0.213 -0.105) 2.153 8.984 ( 1.948 0.150 0.031) 1.954 9.023 ( -1.775 0.160 0.121) 1.786 9.025 ( -1.750 0.076 -0.111) 1.755 9.308 ( -0.306 -0.077 0.324) 0.453 9.313 ( -0.134 -0.152 -0.259) 0.329 9.364 ( -0.055 0.152 0.402) 0.434 9.372 ( 0.405 -0.107 -0.587) 0.721 9.380 ( -0.019 0.271 0.743) 0.791 9.399 ( 0.500 -0.399 -0.767) 0.999 11.955 ( -0.164 0.035 0.118) 0.205 11.957 ( -0.103 -0.017 0.003) 0.104 12.097 ( 0.534 0.097 0.126) 0.557 12.103 ( 0.343 -0.085 -0.076) 0.361 12.191 ( 0.121 0.395 0.261) 0.488 12.209 ( -1.033 -0.241 -0.120) 1.068 12.271 ( -0.438 0.499 1.692) 1.818 12.309 ( 0.235 -1.031 -0.648) 1.241 12.355 ( 0.691 0.638 -0.712) 1.180 12.377 ( -0.116 -0.258 -1.177) 1.210 12.551 ( 0.149 -0.312 0.067) 0.353 12.560 ( -0.940 -0.359 -0.004) 1.007 12.651 ( -0.314 1.053 1.724) 2.045 12.690 ( 0.288 -0.420 -1.124) 1.234 13.088 ( 0.977 -0.011 -0.708) 1.207 13.089 ( -0.737 -0.042 0.552) 0.922======================= Grid point 104 (57/69) =======================q-point: (-0.44 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( -4.865 0.645 7.414) 8.891 1.105 ( -3.582 -4.069 -6.170) 8.214 1.255 ( -4.618 -0.972 4.715) 6.671 1.393 ( -1.320 -5.023 -8.257) 9.755 1.515 ( -0.668 5.604 6.086) 8.300 1.611 ( 0.873 2.966 -3.851) 4.939 1.646 ( -0.681 5.200 6.168) 8.096 1.730 ( -0.042 4.115 -4.480) 6.083 1.903 ( -3.612 -1.275 -0.222) 3.837 1.946 ( 1.533 -3.586 -0.216) 3.906 2.195 ( 2.543 -4.348 2.403) 5.581 2.241 ( 3.096 -4.409 -4.177) 6.817 2.511 ( -10.459 2.112 -1.080) 10.724 2.562 ( -9.309 0.142 -0.033) 9.311 2.665 ( 6.689 1.918 2.486) 7.389 2.730 ( 6.300 -0.415 -1.043) 6.399 3.738 ( -1.811 4.109 4.600) 6.428 3.792 ( -0.277 1.770 -0.779) 1.953 3.924 ( -0.726 2.380 -0.022) 2.488 3.978 ( 2.231 1.485 -3.214) 4.184 4.741 ( -4.096 -6.538 8.250) 11.295 4.950 ( 5.074 -11.185 -10.919) 16.434 5.059 ( 0.929 -0.436 1.877) 2.140 5.106 ( 3.167 -2.474 -2.557) 4.763 5.296 ( -3.062 5.940 7.199) 9.823 5.362 ( -0.358 -1.441 -2.260) 2.705 5.397 ( -4.459 2.997 2.926) 6.118 5.508 ( -1.878 4.713 0.933) 5.159 5.549 ( -1.935 2.879 -2.275) 4.148 5.604 ( 4.898 6.081 -5.935) 9.808 5.772 ( -3.441 -5.927 5.262) 8.641 5.884 ( 2.758 -3.643 -2.966) 5.448 6.008 ( 2.681 0.091 0.794) 2.797 6.017 ( 2.467 -0.196 -0.890) 2.630 6.338 ( -1.544 1.425 3.818) 4.358 6.401 ( 0.957 -1.042 -2.828) 3.162 6.469 ( -2.124 -0.513 -0.144) 2.190 6.475 ( -1.254 -0.664 0.087) 1.422 6.528 ( -2.008 1.202 1.107) 2.589 6.542 ( -1.883 0.598 -0.980) 2.205 6.779 ( 4.727 0.118 0.021) 4.728 6.788 ( 5.508 -0.194 -0.034) 5.512 7.206 ( -5.579 0.220 0.427) 5.600 7.258 ( -2.887 -1.927 -0.706) 3.542 7.335 ( -0.991 0.359 0.857) 1.358 7.358 ( 0.686 -0.697 0.304) 1.024 7.413 ( 3.566 1.507 -1.027) 4.005 7.424 ( 4.529 0.823 0.229) 4.608 7.896 ( 0.973 -0.024 0.129) 0.982 7.898 ( 1.223 -0.065 0.006) 1.225 7.924 ( -0.149 0.226 0.150) 0.309 7.931 ( 0.291 0.025 -0.270) 0.398 8.303 ( -0.370 -0.025 0.658) 0.755 8.321 ( 0.505 -0.641 -0.701) 1.076 8.422 ( -0.204 -0.244 0.586) 0.667 8.432 ( 0.007 -0.544 -0.627) 0.830 8.484 ( -0.620 0.831 0.463) 1.136 8.497 ( 0.257 0.410 -0.342) 0.592 8.541 ( -0.566 0.595 0.565) 0.997 8.553 ( -0.101 0.356 -0.744) 0.831 8.593 ( -1.659 -1.168 0.452) 2.079 8.609 ( -0.841 -1.058 -0.428) 1.418 8.678 ( -1.065 0.645 0.025) 1.246 8.689 ( -0.101 0.265 -0.152) 0.322 8.716 ( 0.131 0.057 0.035) 0.147 8.722 ( 0.574 -0.114 0.103) 0.594 8.797 ( -0.638 0.124 -0.057) 0.653 8.799 ( -0.147 0.120 0.190) 0.269 8.934 ( -1.139 0.169 0.232) 1.174 8.943 ( -0.370 -0.150 -0.222) 0.457 8.977 ( -2.509 0.080 0.027) 2.511 8.983 ( -1.864 -0.079 0.098) 1.868 9.022 ( 1.682 0.238 0.125) 1.703 9.026 ( 1.815 0.165 -0.119) 1.826 9.307 ( -0.092 0.011 0.309) 0.322 9.314 ( 0.426 -0.179 -0.211) 0.508 9.362 ( -0.433 0.195 0.384) 0.611 9.373 ( -0.093 -0.127 -0.398) 0.428 9.384 ( -0.029 0.103 0.659) 0.667 9.396 ( -0.175 -0.313 -0.804) 0.880 11.956 ( 0.153 0.025 0.079) 0.174 11.957 ( 0.159 -0.007 -0.043) 0.164 12.100 ( -0.547 0.018 -0.100) 0.556 12.100 ( -0.344 0.005 0.131) 0.368 12.196 ( -0.310 0.176 -0.201) 0.409 12.203 ( 0.906 -0.040 0.444) 1.009 12.281 ( 0.151 0.353 1.635) 1.680 12.307 ( 0.663 -0.487 -1.620) 1.817 12.356 ( -0.471 0.036 0.129) 0.490 12.363 ( -0.294 -0.040 -0.755) 0.811 12.549 ( -0.012 0.025 0.084) 0.089 12.568 ( 1.572 -0.495 -0.529) 1.731 12.660 ( -0.495 0.546 1.824) 1.967 12.680 ( -0.217 -0.182 -1.108) 1.144 13.076 ( -1.120 0.435 0.480) 1.293 13.100 ( 0.854 -0.437 -0.542) 1.102======================= Grid point 105 (58/69) =======================q-point: (-0.33 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -11.577 0.462 6.717) 13.393 0.992 ( -5.279 0.092 1.884) 5.606 1.179 ( -5.366 -2.911 -0.113) 6.106 1.236 ( -7.314 -4.029 -6.703) 10.707 1.555 ( -2.110 3.368 2.663) 4.784 1.568 ( -0.920 2.357 -3.335) 4.187 1.662 ( -2.462 3.823 2.554) 5.216 1.686 ( -1.803 3.452 -2.836) 4.818 1.829 ( -4.712 -0.648 1.185) 4.901 1.950 ( -0.967 -4.604 -1.002) 4.810 2.168 ( -13.876 -1.242 -0.570) 13.943 2.254 ( -10.787 -3.320 2.847) 11.639 2.374 ( 5.632 0.575 -1.669) 5.902 2.410 ( 1.169 -0.049 -2.124) 2.425 2.793 ( 5.128 0.955 2.125) 5.633 2.821 ( 4.757 0.074 -1.238) 4.916 3.737 ( -2.243 3.969 4.350) 6.301 3.784 ( -0.025 2.134 -0.463) 2.184 3.911 ( -0.565 2.085 -0.156) 2.166 3.985 ( 1.406 1.186 -3.290) 3.770 4.732 ( -3.736 -6.387 7.936) 10.851 4.955 ( 5.306 -11.770 -11.367) 17.201 5.110 ( 2.573 -0.199 1.967) 3.244 5.172 ( 5.953 -2.108 -2.161) 6.675 5.272 ( -4.987 7.761 7.384) 11.816 5.338 ( -0.934 -1.266 0.470) 1.642 5.351 ( -0.943 1.517 -1.640) 2.425 5.469 ( -2.678 3.502 -0.061) 4.409 5.502 ( -2.749 3.051 1.095) 4.250 5.612 ( 1.602 5.995 -5.770) 8.474 5.766 ( -1.955 -4.835 4.338) 6.783 5.898 ( 1.239 -3.754 -2.650) 4.759 6.090 ( 6.239 0.119 -0.701) 6.279 6.099 ( 6.469 -0.181 0.884) 6.532 6.338 ( -1.649 1.309 3.799) 4.343 6.393 ( 0.448 -0.745 -2.641) 2.780 6.420 ( -2.612 -0.378 -0.195) 2.646 6.437 ( -2.972 -0.610 0.095) 3.036 6.484 ( -2.715 0.874 0.174) 2.858 6.503 ( -1.997 0.485 -0.257) 2.071 6.888 ( 5.189 0.276 -0.003) 5.196 6.903 ( 5.391 -0.247 -0.021) 5.397 7.116 ( -3.754 0.790 0.560) 3.877 7.178 ( -3.747 -1.490 -0.328) 4.046 7.331 ( -0.681 0.532 1.147) 1.436 7.366 ( 0.318 -0.734 -0.499) 0.943 7.495 ( 5.466 0.835 -0.846) 5.594 7.507 ( 4.434 0.412 0.182) 4.457 7.916 ( 0.228 0.335 0.330) 0.523 7.931 ( 0.782 -0.212 -0.296) 0.863 7.936 ( 2.408 -0.036 0.094) 2.410 7.938 ( 2.077 -0.048 -0.356) 2.108 8.303 ( -0.189 0.160 0.478) 0.538 8.326 ( 0.634 -0.627 -0.565) 1.056 8.420 ( -0.542 -0.424 0.258) 0.735 8.427 ( -0.267 -0.456 -0.196) 0.563 8.474 ( -1.010 0.959 0.629) 1.528 8.497 ( -0.021 0.382 -0.305) 0.490 8.524 ( -1.943 0.473 0.449) 2.050 8.542 ( -0.580 0.164 -0.378) 0.712 8.564 ( -1.595 -0.753 0.404) 1.810 8.570 ( -2.858 -0.670 -0.522) 2.981 8.656 ( -1.133 0.558 -0.058) 1.264 8.680 ( -0.432 -0.394 -0.389) 0.703 8.725 ( -0.015 0.034 0.025) 0.044 8.729 ( 0.199 0.031 0.233) 0.308 8.780 ( -0.990 0.406 0.138) 1.079 8.792 ( -0.790 0.092 0.090) 0.800 8.909 ( -1.496 0.050 0.139) 1.503 8.915 ( -1.976 -0.189 -0.442) 2.033 8.949 ( -0.855 0.101 0.137) 0.872 8.956 ( -1.141 -0.061 0.065) 1.145 9.041 ( 0.189 0.202 0.192) 0.337 9.046 ( 0.541 0.038 -0.171) 0.569 9.295 ( -2.198 0.190 0.628) 2.294 9.311 ( -1.233 -0.337 -0.619) 1.420 9.354 ( -0.527 0.261 0.622) 0.856 9.367 ( 0.248 -0.123 -0.383) 0.473 9.393 ( 0.806 -0.102 -0.088) 0.817 9.395 ( 0.873 -0.094 -0.156) 0.892 11.961 ( 0.394 -0.018 -0.035) 0.396 11.962 ( 0.427 -0.020 -0.037) 0.429 12.083 ( -1.228 0.101 -0.120) 1.238 12.089 ( -1.068 -0.101 0.113) 1.078 12.195 ( 0.299 0.581 -0.099) 0.661 12.227 ( 1.421 -0.533 0.503) 1.599 12.297 ( 0.321 0.266 1.224) 1.293 12.308 ( 1.017 0.089 -2.044) 2.285 12.340 ( -0.832 -0.115 -0.601) 1.033 12.360 ( -0.433 -0.533 0.898) 1.131 12.551 ( 0.130 0.562 -0.356) 0.677 12.599 ( 2.346 -0.535 -0.628) 2.487 12.654 ( -1.281 0.080 0.923) 1.581 12.677 ( 0.529 -0.075 -0.033) 0.535 13.060 ( -1.140 0.899 0.721) 1.621 13.107 ( 0.385 -0.792 -0.650) 1.095======================= Grid point 106 (59/69) =======================q-point: (-0.22 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( -15.076 0.268 8.605) 17.361 0.927 ( -6.636 4.906 5.772) 10.071 1.018 ( -5.283 -7.072 -10.917) 14.039 1.169 ( 0.300 -3.171 -0.282) 3.197 1.362 ( -19.118 5.446 2.428) 20.026 1.532 ( -11.294 -2.194 -2.539) 11.782 1.596 ( -2.850 1.376 -1.611) 3.551 1.624 ( -2.000 1.754 -1.937) 3.291 1.770 ( -3.472 0.183 2.030) 4.026 1.831 ( -12.903 3.856 1.293) 13.528 1.934 ( -4.374 -4.425 0.284) 6.228 2.028 ( -10.497 -1.398 -0.426) 10.598 2.530 ( 9.037 -1.466 0.988) 9.209 2.530 ( 10.448 -1.154 -2.921) 10.910 2.863 ( 1.172 0.641 1.625) 2.104 2.870 ( 1.621 0.491 -0.712) 1.838 3.727 ( -2.374 4.270 4.140) 6.404 3.783 ( 0.316 2.759 -0.671) 2.857 3.903 ( -0.293 1.342 0.027) 1.374 3.977 ( 0.490 0.665 -3.119) 3.227 4.736 ( -2.418 -5.956 7.562) 9.925 4.969 ( 6.158 -11.838 -11.723) 17.762 5.149 ( -0.403 1.302 3.569) 3.820 5.235 ( 1.091 -1.188 -0.371) 1.655 5.282 ( 0.437 3.619 3.535) 5.078 5.353 ( 3.376 2.579 -0.887) 4.340 5.361 ( 3.545 -0.263 0.319) 3.569 5.426 ( -1.709 1.783 -0.506) 2.521 5.464 ( -3.255 4.195 2.825) 6.015 5.588 ( 1.058 7.078 -6.381) 9.588 5.759 ( -2.483 -5.196 4.421) 7.260 5.891 ( 0.410 -3.965 -2.879) 4.917 6.215 ( 8.333 0.413 -0.236) 8.346 6.237 ( 8.015 -0.393 1.060) 8.094 6.340 ( -1.127 1.331 3.317) 3.748 6.355 ( -3.587 0.006 -0.033) 3.587 6.375 ( -3.730 0.129 0.052) 3.732 6.396 ( 0.677 -0.759 -2.411) 2.617 6.448 ( -1.881 0.572 1.107) 2.256 6.475 ( -0.354 -0.198 -1.255) 1.319 6.881 ( -5.450 0.407 0.256) 5.471 6.904 ( -5.379 -0.363 0.076) 5.392 7.134 ( 4.105 0.421 0.526) 4.160 7.173 ( 3.129 -1.056 -0.398) 3.326 7.329 ( -0.497 0.950 1.174) 1.590 7.364 ( 0.121 -0.289 -0.695) 0.763 7.578 ( 4.272 0.201 -0.090) 4.278 7.581 ( 4.295 0.194 -0.354) 4.314 7.920 ( 0.131 0.316 0.363) 0.499 7.934 ( 0.345 -0.183 -0.479) 0.618 7.977 ( 2.048 -0.037 -0.363) 2.080 7.981 ( 1.597 -0.171 0.360) 1.646 8.308 ( 0.687 0.291 0.354) 0.826 8.333 ( 0.642 -0.457 -0.605) 0.994 8.407 ( -0.880 -0.428 -0.267) 1.014 8.416 ( -0.913 -0.549 0.191) 1.083 8.458 ( -1.474 0.777 0.777) 1.839 8.481 ( -2.269 0.592 0.031) 2.345 8.494 ( -0.927 -0.515 0.260) 1.092 8.519 ( -1.757 -0.347 -0.962) 2.033 8.529 ( -0.782 0.310 0.273) 0.884 8.548 ( -0.551 -0.048 0.037) 0.554 8.643 ( -0.361 0.462 0.205) 0.621 8.668 ( -0.461 -0.349 -0.571) 0.812 8.716 ( -0.715 0.022 -0.032) 0.716 8.725 ( -1.067 -0.144 0.227) 1.100 8.771 ( -0.274 0.493 0.463) 0.729 8.784 ( 0.190 0.101 -0.126) 0.250 8.888 ( -0.694 0.001 -0.300) 0.756 8.890 ( -0.699 0.005 0.066) 0.702 8.941 ( -0.053 -0.049 -0.161) 0.176 8.947 ( 0.231 -0.207 0.206) 0.373 9.035 ( -0.859 0.253 0.216) 0.922 9.045 ( -0.337 -0.090 -0.223) 0.415 9.236 ( -4.851 0.300 0.704) 4.911 9.255 ( -4.068 -0.391 -0.745) 4.154 9.359 ( 0.254 0.363 0.725) 0.850 9.377 ( 0.961 -0.242 -0.545) 1.131 9.411 ( 1.048 0.007 0.162) 1.060 9.415 ( 1.477 -0.083 -0.363) 1.523 11.969 ( 0.524 -0.061 -0.163) 0.552 11.970 ( 0.545 -0.060 -0.043) 0.550 12.057 ( -1.499 0.143 -0.106) 1.509 12.067 ( -1.450 -0.186 0.084) 1.465 12.204 ( 0.664 0.860 0.206) 1.106 12.256 ( 1.298 -1.048 0.455) 1.729 12.308 ( 0.240 0.299 0.351) 0.520 12.313 ( 0.936 0.418 -1.394) 1.730 12.322 ( -0.572 -0.029 -0.816) 0.997 12.358 ( -0.683 -0.807 1.036) 1.480 12.546 ( -0.238 0.598 -0.231) 0.683 12.623 ( 0.051 -2.220 -1.479) 2.667 12.648 ( 0.651 1.642 1.715) 2.462 12.694 ( 1.318 0.113 -0.135) 1.329 13.048 ( -0.954 1.028 1.110) 1.789 13.103 ( -0.094 -0.934 -0.938) 1.328======================= Grid point 107 (60/69) =======================q-point: (-0.11 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( -13.268 -0.504 10.059) 16.657 0.753 ( -20.059 4.366 6.637) 21.575 0.865 ( -5.435 -8.309 -12.078) 15.635 1.043 ( -16.934 -1.086 -1.967) 17.083 1.089 ( -11.426 5.334 7.957) 14.911 1.282 ( -0.190 2.591 -6.110) 6.639 1.532 ( -2.626 -0.591 -0.662) 2.772 1.603 ( -0.067 -1.731 -2.714) 3.219 1.720 ( -1.987 -0.048 1.621) 2.565 1.748 ( -2.703 3.977 3.202) 5.777 1.878 ( -2.526 -4.410 -0.141) 5.084 1.913 ( -2.793 -0.393 -1.358) 3.130 2.667 ( 4.983 -1.943 0.640) 5.387 2.670 ( 7.072 -1.714 -2.366) 7.652 2.870 ( -1.399 1.232 2.159) 2.852 2.879 ( 0.808 0.958 -1.012) 1.611 3.720 ( -1.999 4.627 4.106) 6.501 3.784 ( 0.663 3.208 -1.215) 3.494 3.901 ( -0.189 1.040 0.339) 1.110 3.959 ( 0.132 0.017 -2.859) 2.862 4.757 ( -2.075 -5.558 7.763) 9.771 4.986 ( 5.759 -11.857 -12.129) 17.913 5.170 ( -0.107 -0.086 3.090) 3.093 5.238 ( 0.177 -1.136 -0.353) 1.203 5.296 ( -1.062 4.445 4.197) 6.205 5.393 ( -1.391 4.856 1.763) 5.350 5.397 ( -0.742 0.935 -0.090) 1.197 5.455 ( 3.968 1.021 0.767) 4.169 5.467 ( 3.819 1.844 -0.183) 4.245 5.555 ( 1.516 8.400 -7.530) 11.382 5.752 ( -2.405 -6.202 5.287) 8.497 5.873 ( 0.364 -4.194 -3.404) 5.414 6.282 ( -3.112 0.215 0.196) 3.126 6.298 ( -3.132 -0.383 -0.077) 3.156 6.338 ( -1.332 1.842 3.642) 4.294 6.377 ( 7.921 0.504 0.895) 7.988 6.395 ( 1.352 -0.318 -2.356) 2.735 6.418 ( 8.370 -0.153 0.583) 8.392 6.442 ( 1.364 0.126 0.812) 1.592 6.469 ( 1.225 -0.802 -1.570) 2.147 6.759 ( -8.095 -0.072 0.390) 8.105 6.767 ( -9.385 -0.248 0.180) 9.390 7.202 ( 2.678 -0.027 0.464) 2.718 7.225 ( 2.248 -0.810 -0.400) 2.423 7.332 ( -0.099 1.246 1.006) 1.605 7.360 ( 0.068 0.167 -0.765) 0.786 7.641 ( 2.610 0.166 0.592) 2.681 7.648 ( 3.455 -0.059 -0.813) 3.550 7.926 ( 0.175 0.261 0.418) 0.523 7.937 ( 0.416 -0.138 -0.491) 0.659 7.990 ( -0.540 -0.085 0.469) 0.721 7.996 ( 0.487 -0.248 -0.403) 0.679 8.329 ( 0.831 0.133 0.131) 0.852 8.341 ( 0.866 0.181 -0.185) 0.904 8.389 ( -0.674 -0.601 -0.326) 0.960 8.401 ( -0.791 -0.646 0.081) 1.024 8.430 ( -2.024 0.401 0.298) 2.085 8.444 ( -1.680 -0.276 0.092) 1.705 8.480 ( -0.809 0.179 0.599) 1.023 8.499 ( -0.022 -0.855 -1.157) 1.438 8.522 ( -0.437 0.770 0.777) 1.178 8.543 ( 0.043 0.370 -0.348) 0.510 8.646 ( 0.238 0.325 0.418) 0.580 8.661 ( 0.231 -0.123 -0.702) 0.749 8.698 ( -1.180 -0.020 0.143) 1.189 8.706 ( -0.978 -0.058 0.027) 0.980 8.775 ( 0.228 0.472 0.398) 0.658 8.790 ( 0.271 0.059 -0.112) 0.299 8.881 ( -0.125 0.005 -0.178) 0.218 8.883 ( -0.296 -0.064 0.141) 0.334 8.955 ( 2.289 0.244 -0.509) 2.357 8.975 ( 2.545 -0.455 0.473) 2.628 9.021 ( -0.813 0.371 0.345) 0.958 9.039 ( 0.168 -0.284 -0.341) 0.475 9.146 ( -5.695 0.409 0.538) 5.735 9.168 ( -5.025 -0.416 -0.672) 5.086 9.369 ( 0.158 0.343 0.722) 0.815 9.387 ( 0.628 -0.267 -0.622) 0.923 9.428 ( 0.677 0.127 0.198) 0.717 9.435 ( 0.986 -0.109 -0.389) 1.066 11.976 ( 0.589 0.038 -0.318) 0.671 11.980 ( 0.463 -0.060 0.166) 0.495 12.032 ( -1.158 0.076 -0.144) 1.169 12.041 ( -1.483 -0.232 0.106) 1.505 12.220 ( 0.804 0.915 0.652) 1.381 12.271 ( 0.023 -0.965 -0.093) 0.969 12.308 ( -0.820 0.435 0.688) 1.155 12.318 ( 0.709 0.441 -0.988) 1.293 12.320 ( 1.458 -0.102 -1.192) 1.886 12.348 ( -1.268 -0.576 0.803) 1.608 12.545 ( 0.111 -0.134 0.418) 0.453 12.600 ( -0.974 -1.790 -1.018) 2.278 12.679 ( 1.081 1.391 1.144) 2.100 12.714 ( 1.075 0.537 -0.528) 1.313 13.044 ( -0.608 0.788 1.422) 1.735 13.091 ( -0.206 -0.879 -1.248) 1.541======================= Grid point 108 (61/69) =======================q-point: ( 0.00 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.499 ( -1.050 -6.718 -2.763) 7.340 0.499 ( -1.050 6.718 -2.763) 7.340 0.709 ( 2.767 -6.733 -0.717) 7.314 0.709 ( 2.767 6.733 -0.717) 7.314 1.276 ( -1.975 -5.393 4.858) 7.522 1.276 ( -1.975 5.393 4.858) 7.522 1.497 ( -0.459 -1.616 -2.527) 3.034 1.497 ( -0.459 1.616 -2.527) 3.034 1.724 ( 1.913 -0.694 -2.501) 3.224 1.724 ( 1.913 0.694 -2.501) 3.224 1.864 ( -0.540 -1.796 1.600) 2.466 1.864 ( -0.540 1.796 1.600) 2.466 2.687 ( 0.317 -0.744 -1.359) 1.581 2.687 ( 0.317 0.744 -1.359) 1.581 2.895 ( -0.100 -0.758 0.597) 0.970 2.895 ( -0.100 0.758 0.597) 0.970 3.816 ( -1.315 -2.205 3.860) 4.636 3.816 ( -1.315 2.205 3.860) 4.636 3.924 ( 0.130 -1.124 -0.565) 1.265 3.924 ( 0.130 1.124 -0.565) 1.265 4.768 ( 1.243 -5.734 -4.197) 7.213 4.768 ( 1.243 5.734 -4.197) 7.213 5.182 ( 0.669 -1.496 -1.120) 1.985 5.182 ( 0.669 1.496 -1.120) 1.985 5.395 ( -0.011 -0.858 0.466) 0.977 5.395 ( -0.011 0.858 0.466) 0.977 5.511 ( -0.789 -1.235 1.810) 2.328 5.511 ( -0.789 1.235 1.810) 2.328 5.575 ( -2.482 -8.543 7.205) 11.448 5.575 ( -2.482 8.543 7.205) 11.448 5.724 ( 2.252 -7.525 -6.801) 10.390 5.724 ( 2.252 7.525 -6.801) 10.390 6.256 ( -0.018 -0.107 -0.023) 0.111 6.256 ( -0.018 0.107 -0.023) 0.111 6.380 ( -0.054 -1.421 0.366) 1.469 6.380 ( -0.054 1.421 0.366) 1.469 6.445 ( -0.201 -0.881 0.064) 0.906 6.445 ( -0.201 0.881 0.064) 0.906 6.554 ( 0.623 -0.185 0.197) 0.679 6.554 ( 0.623 0.185 0.197) 0.679 6.623 ( -0.322 -0.203 0.048) 0.383 6.623 ( -0.322 0.203 0.048) 0.383 7.229 ( 0.063 -0.264 -0.126) 0.299 7.229 ( 0.063 0.264 -0.126) 0.299 7.358 ( 0.000 -0.405 0.118) 0.422 7.358 ( 0.000 0.405 0.118) 0.422 7.674 ( 0.000 -0.320 -0.038) 0.323 7.674 ( 0.000 0.320 -0.038) 0.323 7.935 ( -0.067 -0.248 0.053) 0.262 7.935 ( -0.067 0.248 0.053) 0.262 7.987 ( 0.021 -0.329 -0.062) 0.335 7.987 ( 0.021 0.329 -0.062) 0.335 8.352 ( 0.097 -0.680 0.501) 0.850 8.352 ( 0.097 0.680 0.501) 0.850 8.374 ( 0.036 -0.800 -0.671) 1.045 8.374 ( 0.036 0.800 -0.671) 1.045 8.417 ( 0.020 -0.215 -0.123) 0.248 8.417 ( 0.020 0.215 -0.123) 0.248 8.480 ( -0.091 -0.337 -0.108) 0.365 8.480 ( -0.091 0.337 -0.108) 0.365 8.542 ( 0.013 -0.482 0.428) 0.645 8.542 ( 0.013 0.482 0.428) 0.645 8.658 ( -0.051 -0.375 -0.162) 0.412 8.658 ( -0.051 0.375 -0.162) 0.412 8.690 ( 0.022 -0.174 -0.119) 0.212 8.690 ( 0.022 0.174 -0.119) 0.212 8.790 ( -0.109 -0.321 0.349) 0.487 8.790 ( -0.109 0.321 0.349) 0.487 8.879 ( 0.030 -0.087 -0.015) 0.093 8.879 ( 0.030 0.087 -0.015) 0.093 8.999 ( -0.019 -0.104 0.065) 0.124 8.999 ( -0.019 0.104 0.065) 0.124 9.040 ( 0.053 -0.574 0.278) 0.640 9.040 ( 0.053 0.574 0.278) 0.640 9.083 ( -0.024 -0.151 -0.407) 0.435 9.083 ( -0.024 0.151 -0.407) 0.435 9.382 ( 0.024 -0.378 -0.043) 0.381 9.382 ( 0.024 0.378 -0.043) 0.381 9.439 ( 0.004 -0.161 -0.074) 0.177 9.439 ( 0.004 0.161 -0.074) 0.177 11.986 ( 0.010 -0.139 -0.033) 0.144 11.986 ( 0.010 0.139 -0.033) 0.144 12.020 ( 0.004 -0.098 -0.006) 0.099 12.020 ( 0.004 0.098 -0.006) 0.099 12.254 ( 0.065 -0.477 0.173) 0.512 12.254 ( 0.065 0.477 0.173) 0.512 12.312 ( -0.974 -0.628 0.842) 1.433 12.312 ( -0.974 0.628 0.842) 1.433 12.335 ( 1.012 -0.546 -0.898) 1.460 12.335 ( 1.012 0.546 -0.898) 1.460 12.551 ( 0.014 -0.705 -0.559) 0.900 12.551 ( 0.014 0.705 -0.559) 0.900 12.723 ( -0.078 -0.658 0.571) 0.875 12.723 ( -0.078 0.658 0.571) 0.875 13.062 ( 0.012 -0.793 -0.108) 0.801 13.062 ( 0.012 0.793 -0.108) 0.801======================= Grid point 110 (62/69) =======================q-point: ( 0.11 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 10.345 -5.015 -0.887) 11.530 0.610 ( 10.345 5.015 -0.887) 11.530 0.962 ( 23.179 -1.241 -3.124) 23.422 0.962 ( 23.179 1.241 -3.124) 23.422 1.240 ( -3.173 -1.962 3.975) 5.451 1.240 ( -3.173 1.962 3.975) 5.451 1.521 ( 2.986 -2.584 0.783) 4.026 1.521 ( 2.986 2.584 0.783) 4.026 1.762 ( 4.792 -2.172 -3.485) 6.311 1.762 ( 4.792 2.172 -3.485) 6.311 1.884 ( 1.921 -0.938 1.371) 2.539 1.884 ( 1.921 0.938 1.371) 2.539 2.635 ( -5.340 -1.551 -0.939) 5.639 2.635 ( -5.340 1.551 -0.939) 5.639 2.893 ( -0.312 -1.331 0.250) 1.390 2.893 ( -0.312 1.331 0.250) 1.390 3.822 ( -1.194 -2.229 3.234) 4.106 3.822 ( -1.194 2.229 3.234) 4.106 3.930 ( 0.775 -0.611 -0.128) 0.995 3.930 ( 0.775 0.611 -0.128) 0.995 4.748 ( 0.001 -4.966 -3.534) 6.095 4.748 ( 0.001 4.966 -3.534) 6.095 5.187 ( 0.681 -1.381 -1.361) 2.055 5.187 ( 0.681 1.381 -1.361) 2.055 5.389 ( -0.813 -0.658 0.466) 1.145 5.389 ( -0.813 0.658 0.466) 1.145 5.470 ( -4.562 -1.540 1.134) 4.947 5.470 ( -4.562 1.540 1.134) 4.947 5.595 ( -1.699 -8.742 7.302) 11.517 5.595 ( -1.699 8.742 7.302) 11.517 5.722 ( 3.297 -6.738 -6.317) 9.807 5.722 ( 3.297 6.738 -6.317) 9.807 6.287 ( 2.817 -0.304 0.018) 2.833 6.287 ( 2.817 0.304 0.018) 2.833 6.377 ( -0.985 -1.631 0.327) 1.933 6.377 ( -0.985 1.631 0.327) 1.933 6.406 ( -7.516 -0.960 -0.034) 7.577 6.406 ( -7.516 0.960 -0.034) 7.577 6.453 ( -0.732 -0.717 -0.283) 1.063 6.453 ( -0.732 0.717 -0.283) 1.063 6.763 ( 8.858 -0.248 0.049) 8.861 6.763 ( 8.858 0.248 0.049) 8.861 7.208 ( -2.351 -0.121 -0.109) 2.356 7.208 ( -2.351 0.121 -0.109) 2.356 7.358 ( -0.008 -0.222 0.024) 0.224 7.358 ( -0.008 0.222 0.024) 0.224 7.644 ( -3.133 -0.538 0.015) 3.179 7.644 ( -3.133 0.538 0.015) 3.179 7.931 ( -0.352 -0.192 0.065) 0.406 7.931 ( -0.352 0.192 0.065) 0.406 7.991 ( 0.110 -0.355 -0.011) 0.371 7.991 ( 0.110 0.355 -0.011) 0.371 8.340 ( -1.249 -0.501 -0.105) 1.349 8.340 ( -1.249 0.501 -0.105) 1.349 8.385 ( 1.312 -0.922 -0.226) 1.620 8.385 ( 1.312 0.922 -0.226) 1.620 8.438 ( 2.028 -0.317 0.134) 2.057 8.438 ( 2.028 0.317 0.134) 2.057 8.481 ( 0.301 -0.297 0.035) 0.425 8.481 ( 0.301 0.297 0.035) 0.425 8.545 ( 0.158 -0.341 0.043) 0.378 8.545 ( 0.158 0.341 0.043) 0.378 8.651 ( -0.391 -0.428 0.026) 0.580 8.651 ( -0.391 0.428 0.026) 0.580 8.701 ( 1.087 -0.034 -0.069) 1.090 8.701 ( 1.087 0.034 -0.069) 1.090 8.788 ( -0.465 -0.314 0.286) 0.630 8.788 ( -0.465 0.314 0.286) 0.630 8.883 ( 0.333 -0.249 -0.065) 0.421 8.883 ( 0.333 0.249 -0.065) 0.421 8.964 ( -2.456 -0.897 -0.000) 2.615 8.964 ( -2.456 0.897 -0.000) 2.615 9.030 ( 0.275 -0.079 0.045) 0.290 9.030 ( 0.275 0.079 0.045) 0.290 9.155 ( 5.423 -0.136 -0.061) 5.425 9.155 ( 5.423 0.136 -0.061) 5.425 9.378 ( -0.360 -0.276 -0.043) 0.455 9.378 ( -0.360 0.276 -0.043) 0.455 9.431 ( -0.832 -0.169 -0.016) 0.849 9.431 ( -0.832 0.169 -0.016) 0.849 11.977 ( -0.688 -0.309 0.001) 0.755 11.977 ( -0.688 0.309 0.001) 0.755 12.036 ( 1.430 -0.302 -0.026) 1.462 12.036 ( 1.430 0.302 -0.026) 1.462 12.249 ( -0.676 -0.621 -0.011) 0.918 12.249 ( -0.676 0.621 -0.011) 0.918 12.301 ( -0.906 -0.245 0.764) 1.210 12.301 ( -0.906 0.245 0.764) 1.210 12.348 ( 1.129 -1.033 -0.905) 1.778 12.348 ( 1.129 1.033 -0.905) 1.778 12.553 ( 0.430 -0.727 -0.177) 0.863 12.553 ( 0.430 0.727 -0.177) 0.863 12.715 ( -1.127 -0.356 0.292) 1.217 12.715 ( -1.127 0.356 0.292) 1.217 13.066 ( 0.456 -0.265 -0.050) 0.530 13.066 ( 0.456 0.265 -0.050) 0.530======================= Grid point 112 (63/69) =======================q-point: ( 0.22 -0.50 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 12.745 -2.978 -0.500) 13.098 0.811 ( 12.745 2.978 -0.500) 13.098 1.111 ( 0.164 -3.633 -2.010) 4.155 1.111 ( 0.164 3.633 -2.010) 4.155 1.430 ( 14.044 -1.597 1.366) 14.200 1.430 ( 14.044 1.597 1.366) 14.200 1.596 ( 4.066 -3.750 3.664) 6.635 1.596 ( 4.066 3.750 3.664) 6.635 1.827 ( 5.538 -3.264 -4.131) 7.641 1.827 ( 5.538 3.264 -4.131) 7.641 1.988 ( 10.800 -1.124 0.641) 10.877 1.988 ( 10.800 1.124 0.641) 10.877 2.494 ( -9.470 -2.437 -0.694) 9.803 2.494 ( -9.470 2.437 -0.694) 9.803 2.880 ( -1.824 -1.542 0.006) 2.388 2.880 ( -1.824 1.542 0.006) 2.388 3.823 ( -1.093 -2.209 2.535) 3.536 3.823 ( -1.093 2.209 2.535) 3.536 3.946 ( 0.703 -0.926 0.697) 1.355 3.946 ( 0.703 0.926 0.697) 1.355 4.724 ( 0.664 -4.850 -3.711) 6.142 4.724 ( 0.664 4.850 -3.711) 6.142 5.176 ( -1.172 -1.211 -1.059) 1.990 5.176 ( -1.172 1.211 -1.059) 1.990 5.351 ( -3.873 -1.003 0.325) 4.014 5.351 ( -3.873 1.003 0.325) 4.014 5.433 ( 0.484 -1.605 1.284) 2.112 5.433 ( 0.484 1.605 1.284) 2.112 5.618 ( -1.412 -7.640 5.807) 9.700 5.618 ( -1.412 7.640 5.807) 9.700 5.739 ( 3.206 -5.170 -4.885) 7.802 5.739 ( 3.206 5.170 -4.885) 7.802 6.230 ( -8.245 -0.994 -0.096) 8.305 6.230 ( -8.245 0.994 -0.096) 8.305 6.359 ( 1.827 -1.096 -0.087) 2.133 6.359 ( 1.827 1.096 -0.087) 2.133 6.386 ( 1.763 -1.436 -0.360) 2.302 6.386 ( 1.763 1.436 -0.360) 2.302 6.460 ( 1.093 -0.800 0.280) 1.383 6.460 ( 1.093 0.800 0.280) 1.383 6.894 ( 5.317 -0.422 -0.017) 5.334 6.894 ( 5.317 0.422 -0.017) 5.334 7.149 ( -3.570 -0.402 -0.049) 3.593 7.149 ( -3.570 0.402 -0.049) 3.593 7.359 ( 0.181 -0.138 -0.228) 0.322 7.359 ( 0.181 0.138 -0.228) 0.322 7.577 ( -4.400 -0.636 0.241) 4.452 7.577 ( -4.400 0.636 0.241) 4.452 7.926 ( -0.271 -0.101 0.077) 0.300 7.926 ( -0.271 0.101 0.077) 0.300 7.977 ( -1.815 -0.440 -0.008) 1.867 7.977 ( -1.815 0.440 -0.008) 1.867 8.320 ( -0.778 -0.291 -0.107) 0.837 8.320 ( -0.778 0.291 -0.107) 0.837 8.408 ( 1.288 -0.824 -0.270) 1.553 8.408 ( 1.288 0.824 -0.270) 1.553 8.477 ( 1.321 -0.504 0.667) 1.564 8.477 ( 1.321 0.504 0.667) 1.564 8.495 ( 2.011 -0.591 -0.292) 2.116 8.495 ( 2.011 0.591 -0.292) 2.116 8.550 ( 0.471 -0.429 -0.277) 0.695 8.550 ( 0.471 0.429 -0.277) 0.695 8.650 ( 0.217 -0.374 0.204) 0.478 8.650 ( 0.217 0.374 0.204) 0.478 8.719 ( 0.946 -0.282 -0.074) 0.990 8.719 ( 0.946 0.282 -0.074) 0.990 8.783 ( -0.069 -0.069 0.253) 0.272 8.783 ( -0.069 0.069 0.253) 0.272 8.889 ( 0.614 -0.351 -0.084) 0.712 8.889 ( 0.614 0.351 -0.084) 0.712 8.943 ( -0.005 -0.367 0.022) 0.368 8.943 ( -0.005 0.367 0.022) 0.368 9.041 ( 0.595 -0.032 0.058) 0.598 9.041 ( 0.595 0.032 0.058) 0.598 9.244 ( 4.505 -0.297 -0.053) 4.515 9.244 ( 4.505 0.297 -0.053) 4.515 9.369 ( -0.592 -0.266 -0.041) 0.650 9.369 ( -0.592 0.266 -0.041) 0.650 9.412 ( -1.252 -0.245 0.026) 1.276 9.412 ( -1.252 0.245 0.026) 1.276 11.967 ( -0.524 -0.150 0.077) 0.551 11.967 ( -0.524 0.150 0.077) 0.551 12.062 ( 1.498 -0.276 -0.025) 1.523 12.062 ( 1.498 0.276 -0.025) 1.523 12.232 ( -1.093 -1.122 -0.050) 1.567 12.232 ( -1.093 1.122 -0.050) 1.567 12.292 ( -0.728 -0.321 0.825) 1.146 12.292 ( -0.728 0.321 0.825) 1.146 12.358 ( 0.944 -1.148 -1.080) 1.837 12.358 ( 0.944 1.148 -1.080) 1.837 12.561 ( 0.367 -1.281 0.166) 1.343 12.561 ( 0.367 1.281 0.166) 1.343 12.693 ( -1.369 -0.492 0.048) 1.455 12.693 ( -1.369 0.492 0.048) 1.455 13.075 ( 0.584 -0.186 -0.034) 0.614 13.075 ( 0.584 0.186 -0.034) 0.614======================= Grid point 114 (64/69) =======================q-point: ( 0.33 -0.50 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 7.036 -1.807 -1.911) 7.512 0.996 ( 7.036 1.807 -1.911) 7.512 1.148 ( 7.004 -4.547 -0.694) 8.379 1.148 ( 7.004 4.547 -0.694) 8.379 1.560 ( 2.300 -3.338 2.387) 4.704 1.560 ( 2.300 3.338 2.387) 4.704 1.690 ( 1.610 -4.411 4.806) 6.719 1.690 ( 1.610 4.411 4.806) 6.719 1.883 ( 4.379 -2.728 -4.661) 6.953 1.883 ( 4.379 2.728 -4.661) 6.953 2.244 ( 11.274 -3.484 -3.813) 12.401 2.244 ( 11.274 3.484 -3.813) 12.401 2.339 ( -2.612 -2.138 2.249) 4.056 2.339 ( -2.612 2.138 2.249) 4.056 2.819 ( -5.062 -1.143 0.014) 5.189 2.819 ( -5.062 1.143 0.014) 5.189 3.822 ( -1.216 -2.005 2.324) 3.301 3.822 ( -1.216 2.005 2.324) 3.301 3.962 ( 0.224 -1.127 1.194) 1.657 3.962 ( 0.224 1.127 1.194) 1.657 4.719 ( 2.187 -5.323 -4.354) 7.216 4.719 ( 2.187 5.323 -4.354) 7.216 5.123 ( -3.776 -0.753 -0.511) 3.884 5.123 ( -3.776 0.753 -0.511) 3.884 5.316 ( -0.210 -1.727 0.429) 1.792 5.316 ( -0.210 1.727 0.429) 1.792 5.478 ( 3.163 -0.832 1.338) 3.533 5.478 ( 3.163 0.832 1.338) 3.533 5.632 ( -1.794 -7.232 5.316) 9.153 5.632 ( -1.794 7.232 5.316) 9.153 5.751 ( 2.115 -4.704 -4.557) 6.882 5.751 ( 2.115 4.704 -4.557) 6.882 6.097 ( -6.400 -0.933 -0.210) 6.471 6.097 ( -6.400 0.933 -0.210) 6.471 6.369 ( 0.275 -1.645 -0.225) 1.683 6.369 ( 0.275 1.645 -0.225) 1.683 6.431 ( 2.770 -0.284 -0.526) 2.834 6.431 ( 2.770 0.284 -0.526) 2.834 6.496 ( 2.480 -1.145 0.591) 2.795 6.496 ( 2.480 1.145 0.591) 2.795 6.896 ( -5.347 -0.291 0.012) 5.355 6.896 ( -5.347 0.291 0.012) 5.355 7.142 ( 3.501 -0.848 -0.035) 3.602 7.142 ( 3.501 0.848 -0.035) 3.602 7.361 ( 0.406 -0.275 -0.641) 0.807 7.361 ( 0.406 0.275 -0.641) 0.807 7.497 ( -5.074 -0.779 0.705) 5.182 7.497 ( -5.074 0.779 0.705) 5.182 7.923 ( -0.381 -0.026 0.136) 0.405 7.923 ( -0.381 0.026 0.136) 0.405 7.934 ( -2.377 -0.279 0.025) 2.393 7.934 ( -2.377 0.279 0.025) 2.393 8.312 ( -0.156 -0.337 -0.137) 0.396 8.312 ( -0.156 0.337 -0.137) 0.396 8.422 ( 0.561 -0.636 -0.357) 0.920 8.422 ( 0.561 0.636 -0.357) 0.920 8.491 ( 0.258 -0.246 0.459) 0.581 8.491 ( 0.258 0.246 0.459) 0.581 8.541 ( 2.157 -0.845 0.184) 2.324 8.541 ( 2.157 0.845 0.184) 2.324 8.560 ( 1.380 -0.588 -0.698) 1.654 8.560 ( 1.380 0.588 -0.698) 1.654 8.660 ( 0.691 -0.409 0.396) 0.895 8.660 ( 0.691 0.409 0.396) 0.895 8.729 ( 0.226 -0.235 -0.081) 0.336 8.729 ( 0.226 0.235 -0.081) 0.336 8.791 ( 0.603 -0.302 0.124) 0.686 8.791 ( 0.603 0.302 0.124) 0.686 8.908 ( 1.497 -0.201 0.124) 1.515 8.908 ( 1.497 0.201 0.124) 1.515 8.956 ( 1.255 -0.215 -0.030) 1.273 8.956 ( 1.255 0.215 -0.030) 1.273 9.045 ( -0.378 -0.063 0.066) 0.388 9.045 ( -0.378 0.063 0.066) 0.388 9.302 ( 1.743 -0.303 -0.103) 1.772 9.302 ( 1.743 0.303 -0.103) 1.772 9.362 ( 0.121 -0.297 -0.038) 0.323 9.362 ( 0.121 0.297 -0.038) 0.323 9.392 ( -0.802 -0.394 0.018) 0.894 9.392 ( -0.802 0.394 0.018) 0.894 11.960 ( -0.348 -0.038 0.091) 0.361 11.960 ( -0.348 0.038 0.091) 0.361 12.086 ( 1.139 -0.225 0.007) 1.162 12.086 ( 1.139 0.225 0.007) 1.162 12.213 ( -0.967 -0.966 -0.004) 1.367 12.213 ( -0.967 0.966 -0.004) 1.367 12.287 ( -0.614 -0.780 0.954) 1.377 12.287 ( -0.614 0.780 0.954) 1.377 12.365 ( 0.870 -0.934 -1.288) 1.813 12.365 ( 0.870 0.934 -1.288) 1.813 12.561 ( -0.552 -1.038 0.230) 1.198 12.561 ( -0.552 1.038 0.230) 1.198 12.676 ( -0.458 -0.888 0.063) 1.001 12.676 ( -0.458 0.888 0.063) 1.001 13.084 ( 0.396 -0.331 -0.072) 0.521 13.084 ( 0.396 0.331 -0.072) 0.521======================= Grid point 116 (65/69) =======================q-point: ( 0.44 -0.50 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 1.349 -3.919 -2.324) 4.752 1.042 ( 1.349 3.919 -2.324) 4.752 1.279 ( 5.343 -3.753 -0.339) 6.538 1.279 ( 5.343 3.753 -0.339) 6.538 1.603 ( 0.324 -3.654 3.395) 4.998 1.603 ( 0.324 3.654 3.395) 4.998 1.737 ( 0.036 -4.977 5.121) 7.141 1.737 ( 0.036 4.977 5.121) 7.141 1.902 ( 1.740 -1.695 -4.684) 5.276 1.902 ( 1.740 1.695 -4.684) 5.276 2.172 ( -2.958 -3.895 -3.743) 6.158 2.172 ( -2.958 3.895 -3.743) 6.158 2.538 ( 10.551 -1.555 0.848) 10.699 2.538 ( 10.551 1.555 0.848) 10.699 2.713 ( -6.694 -0.279 0.116) 6.701 2.713 ( -6.694 0.279 0.116) 6.701 3.816 ( -1.560 -1.566 2.674) 3.470 3.816 ( -1.560 1.566 2.674) 3.470 3.972 ( -0.029 -1.424 1.106) 1.803 3.972 ( -0.029 1.424 1.106) 1.803 4.727 ( 2.497 -5.855 -4.807) 7.976 4.727 ( 2.497 5.855 -4.807) 7.976 5.066 ( -1.744 -0.920 -0.327) 1.999 5.066 ( -1.744 0.920 -0.327) 1.999 5.328 ( 0.708 -1.417 0.176) 1.594 5.328 ( 0.708 1.417 0.176) 1.594 5.550 ( 2.907 -1.338 1.768) 3.656 5.550 ( 2.907 1.338 1.768) 3.656 5.626 ( -4.625 -8.311 6.821) 11.704 5.626 ( -4.625 8.311 6.821) 11.704 5.749 ( 2.782 -6.252 -6.117) 9.178 5.749 ( 2.782 6.252 -6.117) 9.178 6.013 ( -2.598 -0.623 -0.236) 2.682 6.013 ( -2.598 0.623 -0.236) 2.682 6.372 ( 0.221 -1.609 -0.273) 1.647 6.372 ( 0.221 1.609 -0.273) 1.647 6.468 ( 1.528 -0.184 -0.356) 1.580 6.468 ( 1.528 0.184 -0.356) 1.580 6.543 ( 1.987 -0.882 0.525) 2.236 6.543 ( 1.987 0.882 0.525) 2.236 6.783 ( -5.149 -0.157 0.007) 5.151 6.783 ( -5.149 0.157 0.007) 5.151 7.220 ( 3.850 -0.470 -0.117) 3.880 7.220 ( 3.850 0.470 -0.117) 3.880 7.361 ( -0.073 -0.419 -0.973) 1.062 7.361 ( -0.073 0.419 -0.973) 1.062 7.419 ( -3.589 -0.892 1.191) 3.885 7.419 ( -3.589 0.892 1.191) 3.885 7.896 ( -1.133 -0.091 0.053) 1.138 7.896 ( -1.133 0.091 0.053) 1.138 7.928 ( 0.086 -0.074 0.161) 0.197 7.928 ( 0.086 0.074 0.161) 0.197 8.308 ( -0.059 -0.350 -0.245) 0.431 8.308 ( -0.059 0.350 -0.245) 0.431 8.424 ( 0.070 -0.400 -0.280) 0.493 8.424 ( 0.070 0.400 -0.280) 0.493 8.497 ( 0.060 -0.212 0.322) 0.390 8.497 ( 0.060 0.212 0.322) 0.390 8.558 ( 0.124 -0.666 0.386) 0.780 8.558 ( 0.124 0.666 0.386) 0.780 8.586 ( 1.322 -0.360 -0.894) 1.636 8.586 ( 1.322 0.360 -0.894) 1.636 8.681 ( 1.072 -0.277 0.682) 1.301 8.681 ( 1.072 0.277 0.682) 1.301 8.725 ( -0.554 -0.129 -0.312) 0.649 8.725 ( -0.554 0.129 -0.312) 0.649 8.800 ( 0.247 -0.336 0.087) 0.426 8.800 ( 0.247 0.336 0.087) 0.426 8.935 ( 1.028 -0.086 0.308) 1.077 8.935 ( 1.028 0.086 0.308) 1.077 8.984 ( 1.866 -0.173 -0.143) 1.880 8.984 ( 1.866 0.173 -0.143) 1.880 9.026 ( -1.689 -0.074 0.093) 1.693 9.026 ( -1.689 0.074 0.093) 1.693 9.309 ( -0.141 -0.166 -0.108) 0.243 9.309 ( -0.141 0.166 -0.108) 0.243 9.368 ( 0.150 -0.219 -0.033) 0.268 9.368 ( 0.150 0.219 -0.033) 0.268 9.388 ( 0.207 -0.476 -0.019) 0.519 9.388 ( 0.207 0.476 -0.019) 0.519 11.956 ( -0.121 -0.039 0.056) 0.139 11.956 ( -0.121 0.039 0.056) 0.139 12.100 ( 0.447 -0.130 0.029) 0.466 12.100 ( 0.447 0.130 0.029) 0.466 12.201 ( -0.443 -0.467 0.058) 0.646 12.201 ( -0.443 0.467 0.058) 0.646 12.287 ( -0.202 -0.911 0.845) 1.259 12.287 ( -0.202 0.911 0.845) 1.259 12.368 ( 0.415 -0.538 -1.190) 1.370 12.368 ( 0.415 0.538 -1.190) 1.370 12.551 ( -0.408 -0.324 -0.000) 0.521 12.551 ( -0.408 0.324 -0.000) 0.521 12.675 ( -0.070 -0.936 0.289) 0.982 12.675 ( -0.070 0.936 0.289) 0.982 13.088 ( 0.138 -0.022 -0.103) 0.173 13.088 ( 0.138 0.022 -0.103) 0.173======================= Grid point 118 (66/69) =======================q-point: (-0.44 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( -2.775 -3.220 -0.104) 4.252 1.018 ( -2.775 3.220 -0.104) 4.252 1.287 ( -3.810 -3.718 -1.287) 5.477 1.287 ( -3.810 3.718 -1.287) 5.477 1.621 ( -0.974 -2.722 2.863) 4.068 1.621 ( -0.974 2.722 2.863) 4.068 1.761 ( -1.346 -3.138 2.653) 4.324 1.761 ( -1.346 3.138 2.653) 4.324 1.882 ( -0.103 -0.843 -3.308) 3.415 1.882 ( -0.103 0.843 -3.308) 3.415 2.155 ( 3.606 -1.814 -2.474) 4.734 2.155 ( 3.606 1.814 -2.474) 4.734 2.551 ( -9.540 -1.247 -0.442) 9.631 2.551 ( -9.540 1.247 -0.442) 9.631 2.707 ( 6.388 -1.652 0.645) 6.629 2.707 ( 6.388 1.652 0.645) 6.629 3.809 ( -1.744 -1.062 3.198) 3.795 3.809 ( -1.744 1.062 3.198) 3.795 3.976 ( -0.371 -2.158 0.826) 2.340 3.976 ( -0.371 2.158 0.826) 2.340 4.730 ( 2.121 -6.279 -5.072) 8.346 4.730 ( 2.121 6.279 -5.072) 8.346 5.066 ( 2.142 -1.188 -0.379) 2.478 5.066 ( 2.142 1.188 -0.379) 2.478 5.333 ( -0.084 -0.802 -0.429) 0.913 5.333 ( -0.084 0.802 -0.429) 0.913 5.543 ( -6.269 -4.051 3.251) 8.141 5.543 ( -6.269 4.051 3.251) 8.141 5.608 ( -1.939 -6.684 5.793) 9.055 5.608 ( -1.939 6.684 5.793) 9.055 5.769 ( 4.173 -6.678 -5.968) 9.880 5.769 ( 4.173 6.678 -5.968) 9.880 6.012 ( 2.587 -0.224 -0.092) 2.598 6.012 ( 2.587 0.224 -0.092) 2.598 6.372 ( 0.021 -1.506 -0.281) 1.532 6.372 ( 0.021 1.506 -0.281) 1.532 6.465 ( -1.738 -0.191 -0.025) 1.749 6.465 ( -1.738 0.191 -0.025) 1.749 6.546 ( -2.018 -0.324 0.252) 2.059 6.546 ( -2.018 0.324 0.252) 2.059 6.783 ( 5.153 -0.225 0.003) 5.158 6.783 ( 5.153 0.225 0.003) 5.158 7.221 ( -3.714 -1.215 -0.258) 3.917 7.221 ( -3.714 1.215 -0.258) 3.917 7.345 ( -0.446 -0.508 0.622) 0.918 7.345 ( -0.446 0.508 0.622) 0.918 7.433 ( 3.802 -0.175 -0.218) 3.813 7.433 ( 3.802 0.175 -0.218) 3.813 7.896 ( 1.102 -0.070 0.034) 1.105 7.896 ( 1.102 0.070 0.034) 1.105 7.929 ( 0.025 -0.200 0.007) 0.202 7.929 ( 0.025 0.200 0.007) 0.202 8.307 ( 0.145 -0.430 -0.158) 0.481 8.307 ( 0.145 0.430 -0.158) 0.481 8.422 ( -0.094 -0.242 -0.102) 0.279 8.422 ( -0.094 0.242 -0.102) 0.279 8.498 ( -0.202 -0.321 0.233) 0.445 8.498 ( -0.202 0.321 0.233) 0.445 8.557 ( -0.484 -0.635 0.418) 0.901 8.557 ( -0.484 0.635 0.418) 0.901 8.583 ( -0.958 -0.879 -0.622) 1.441 8.583 ( -0.958 0.879 -0.622) 1.441 8.690 ( -0.853 -0.281 -0.086) 0.902 8.690 ( -0.853 0.281 -0.086) 0.902 8.719 ( 0.485 -0.157 0.137) 0.528 8.719 ( 0.485 0.157 0.137) 0.528 8.800 ( -0.345 -0.075 0.089) 0.364 8.800 ( -0.345 0.075 0.089) 0.364 8.939 ( -0.872 -0.248 0.022) 0.907 8.939 ( -0.872 0.248 0.022) 0.907 8.980 ( -2.055 -0.152 0.165) 2.068 8.980 ( -2.055 0.152 0.165) 2.068 9.027 ( 1.619 -0.096 -0.009) 1.622 9.027 ( 1.619 0.096 -0.009) 1.622 9.309 ( 0.271 -0.206 -0.132) 0.365 9.309 ( 0.271 0.206 -0.132) 0.365 9.368 ( -0.203 -0.294 0.013) 0.357 9.368 ( -0.203 0.294 0.013) 0.357 9.388 ( -0.206 -0.307 -0.000) 0.370 9.388 ( -0.206 0.307 -0.000) 0.370 11.957 ( 0.146 -0.028 0.014) 0.150 11.957 ( 0.146 0.028 0.014) 0.150 12.100 ( -0.449 -0.013 0.012) 0.449 12.100 ( -0.449 0.013 0.012) 0.449 12.200 ( 0.275 -0.186 0.125) 0.355 12.200 ( 0.275 0.186 0.125) 0.355 12.293 ( 0.427 -0.687 0.391) 0.898 12.293 ( 0.427 0.687 0.391) 0.898 12.360 ( -0.478 -0.228 -0.642) 0.832 12.360 ( -0.478 0.228 -0.642) 0.832 12.555 ( 1.016 -0.522 -0.361) 1.198 12.555 ( 1.016 0.522 -0.361) 1.198 12.672 ( -0.560 -0.527 0.501) 0.918 12.672 ( -0.560 0.527 0.501) 0.918 13.088 ( -0.071 -0.617 -0.086) 0.627 13.088 ( -0.071 0.617 -0.086) 0.627======================= Grid point 120 (67/69) =======================q-point: (-0.33 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( -6.081 -3.344 1.992) 7.220 0.950 ( -6.081 3.344 1.992) 7.220 1.159 ( -7.507 -1.754 -1.603) 7.874 1.159 ( -7.507 1.754 -1.603) 7.874 1.605 ( -2.504 -0.153 -0.372) 2.536 1.605 ( -2.504 0.153 -0.372) 2.536 1.726 ( -4.144 -1.512 1.023) 4.528 1.726 ( -4.144 1.512 1.023) 4.528 1.849 ( -1.550 -3.161 -2.002) 4.050 1.849 ( -1.550 3.161 -2.002) 4.050 2.173 ( -8.256 -2.448 2.313) 8.916 2.173 ( -8.256 2.448 2.313) 8.916 2.399 ( 0.575 -1.030 -3.176) 3.388 2.399 ( 0.575 1.030 -3.176) 3.388 2.814 ( 4.803 -0.739 0.522) 4.887 2.814 ( 4.803 0.739 0.522) 4.887 3.805 ( -1.589 -1.120 3.546) 4.044 3.805 ( -1.589 1.120 3.546) 4.044 3.970 ( -1.064 -2.896 0.697) 3.163 3.970 ( -1.064 2.896 0.697) 3.163 4.730 ( 2.550 -6.638 -5.355) 8.902 4.730 ( 2.550 6.638 -5.355) 8.902 5.125 ( 4.292 -1.654 -0.649) 4.645 5.125 ( 4.292 1.654 -0.649) 4.645 5.323 ( -0.132 -0.265 -0.433) 0.524 5.323 ( -0.132 0.265 -0.433) 0.524 5.459 ( -5.346 -4.173 3.632) 7.693 5.459 ( -5.346 4.173 3.632) 7.693 5.608 ( -2.679 -6.050 4.879) 8.221 5.608 ( -2.679 6.050 4.879) 8.221 5.784 ( 2.211 -6.209 -5.175) 8.380 5.784 ( 2.211 6.209 -5.175) 8.380 6.094 ( 6.392 -0.220 0.077) 6.396 6.094 ( 6.392 0.220 0.077) 6.396 6.369 ( -0.065 -1.351 -0.227) 1.372 6.369 ( -0.065 1.351 -0.227) 1.372 6.423 ( -2.825 -0.517 0.257) 2.883 6.423 ( -2.825 0.517 0.257) 2.883 6.503 ( -2.640 -0.528 -0.029) 2.692 6.503 ( -2.640 0.528 -0.029) 2.692 6.896 ( 5.336 -0.371 -0.007) 5.349 6.896 ( 5.336 0.371 -0.007) 5.349 7.142 ( -3.565 -1.548 -0.001) 3.886 7.142 ( -3.565 1.548 -0.001) 3.886 7.347 ( -0.037 -0.858 0.590) 1.042 7.347 ( -0.037 0.858 0.590) 1.042 7.509 ( 4.587 -0.287 -0.390) 4.612 7.509 ( 4.587 0.287 -0.390) 4.612 7.924 ( 0.672 -0.396 0.033) 0.780 7.924 ( 0.672 0.396 0.033) 0.780 7.936 ( 2.022 -0.052 -0.152) 2.029 7.936 ( 2.022 0.052 -0.152) 2.029 8.311 ( 0.345 -0.601 -0.079) 0.697 8.311 ( 0.345 0.601 -0.079) 0.697 8.418 ( -0.426 -0.242 0.014) 0.490 8.418 ( -0.426 0.242 0.014) 0.490 8.493 ( -0.668 -0.629 0.313) 0.970 8.493 ( -0.668 0.629 0.313) 0.970 8.544 ( -2.091 -0.818 0.089) 2.247 8.544 ( -2.091 0.818 0.089) 2.247 8.552 ( -1.093 -0.518 -0.172) 1.221 8.552 ( -1.093 0.518 -0.172) 1.221 8.669 ( -0.870 -0.574 -0.407) 1.119 8.669 ( -0.870 0.574 -0.407) 1.119 8.727 ( 0.028 -0.142 0.114) 0.185 8.727 ( 0.028 0.142 0.114) 0.185 8.790 ( -0.808 -0.348 0.217) 0.906 8.790 ( -0.808 0.348 0.217) 0.906 8.911 ( -1.696 -0.171 -0.168) 1.713 8.911 ( -1.696 0.171 -0.168) 1.713 8.953 ( -1.178 -0.202 0.220) 1.215 8.953 ( -1.178 0.202 0.220) 1.215 9.045 ( 0.327 -0.144 0.014) 0.358 9.045 ( 0.327 0.144 0.014) 0.358 9.302 ( -1.658 -0.389 -0.132) 1.708 9.302 ( -1.658 0.389 -0.132) 1.708 9.361 ( -0.093 -0.351 0.043) 0.365 9.361 ( -0.093 0.351 0.043) 0.365 9.393 ( 0.832 -0.088 0.001) 0.837 9.393 ( 0.832 0.088 0.001) 0.837 11.961 ( 0.379 -0.031 -0.039) 0.383 11.961 ( 0.379 0.031 -0.039) 0.383 12.086 ( -1.158 -0.144 -0.007) 1.167 12.086 ( -1.158 0.144 -0.007) 1.167 12.211 ( 0.796 -0.839 0.194) 1.172 12.211 ( 0.796 0.839 0.194) 1.172 12.306 ( 0.860 -0.358 -0.394) 1.011 12.306 ( 0.860 0.358 -0.394) 1.011 12.345 ( -0.893 -0.594 0.225) 1.096 12.345 ( -0.893 0.594 0.225) 1.096 12.574 ( 1.271 -1.371 -0.923) 2.085 12.574 ( 1.271 1.371 -0.923) 2.085 12.667 ( -0.364 -0.763 0.924) 1.252 12.667 ( -0.364 0.763 0.924) 1.252 13.084 ( -0.299 -1.187 -0.071) 1.226 13.084 ( -0.299 1.187 -0.071) 1.226======================= Grid point 122 (68/69) =======================q-point: (-0.22 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -9.580 -8.162 -0.742) 12.607 0.813 ( -9.580 8.162 -0.742) 12.607 1.065 ( -3.926 -5.534 2.082) 7.097 1.065 ( -3.926 5.534 2.082) 7.097 1.469 ( -13.931 -3.602 -1.883) 14.512 1.469 ( -13.931 3.602 -1.883) 14.512 1.643 ( -4.783 -1.817 -0.057) 5.117 1.643 ( -4.783 1.817 -0.057) 5.117 1.795 ( -2.807 -3.654 -2.082) 5.056 1.795 ( -2.807 3.654 -2.082) 5.056 1.962 ( -10.892 -4.365 2.920) 12.092 1.962 ( -10.892 4.365 2.920) 12.092 2.513 ( 9.956 -0.182 -2.361) 10.234 2.513 ( 9.956 0.182 -2.361) 10.234 2.874 ( 1.546 -0.207 0.580) 1.664 2.874 ( 1.546 0.207 0.580) 1.664 3.806 ( -1.437 -1.628 3.753) 4.336 3.806 ( -1.437 1.628 3.753) 4.336 3.952 ( -1.361 -2.994 0.433) 3.317 3.952 ( -1.361 2.994 0.433) 3.317 4.743 ( 3.588 -6.795 -5.490) 9.444 4.743 ( 3.588 6.795 -5.490) 9.444 5.175 ( 1.571 -2.166 -0.802) 2.793 5.175 ( 1.571 2.166 -0.802) 2.793 5.351 ( 3.285 -0.824 0.269) 3.397 5.351 ( 3.285 0.824 0.269) 3.397 5.419 ( -1.586 -2.596 2.735) 4.091 5.419 ( -1.586 2.596 2.735) 4.091 5.593 ( -3.409 -6.875 5.488) 9.435 5.593 ( -3.409 6.875 5.488) 9.435 5.770 ( 0.965 -6.526 -5.362) 8.501 5.770 ( 0.965 6.526 -5.362) 8.501 6.226 ( 8.296 -0.530 0.213) 8.316 6.226 ( 8.296 0.530 0.213) 8.316 6.359 ( -2.297 -0.302 -0.065) 2.317 6.359 ( -2.297 0.302 -0.065) 2.317 6.378 ( -1.164 -0.669 0.375) 1.394 6.378 ( -1.164 0.669 0.375) 1.394 6.464 ( -1.414 -0.726 -0.140) 1.596 6.464 ( -1.414 0.726 -0.140) 1.596 6.893 ( -5.471 -0.586 0.106) 5.503 6.893 ( -5.471 0.586 0.106) 5.503 7.149 ( 3.642 -0.987 -0.029) 3.774 7.149 ( 3.642 0.987 -0.029) 3.774 7.351 ( 0.064 -0.900 0.449) 1.007 7.351 ( 0.064 0.900 0.449) 1.007 7.582 ( 4.072 -0.119 -0.273) 4.082 7.582 ( 4.072 0.119 -0.273) 4.082 7.928 ( 0.225 -0.370 -0.081) 0.441 7.928 ( 0.225 0.370 -0.081) 0.441 7.977 ( 1.812 -0.106 -0.012) 1.815 7.977 ( 1.812 0.106 -0.012) 1.815 8.319 ( 0.773 -0.659 -0.092) 1.020 8.319 ( 0.773 0.659 -0.092) 1.020 8.406 ( -0.949 -0.324 -0.068) 1.005 8.406 ( -0.949 0.324 -0.068) 1.005 8.475 ( -2.007 -0.717 0.626) 2.221 8.475 ( -2.007 0.717 0.626) 2.221 8.504 ( -1.338 -0.821 -0.846) 1.784 8.504 ( -1.338 0.821 -0.846) 1.784 8.541 ( -0.598 -0.521 0.559) 0.971 8.541 ( -0.598 0.521 0.559) 0.971 8.657 ( -0.247 -0.664 -0.377) 0.803 8.657 ( -0.247 0.664 -0.377) 0.803 8.720 ( -0.820 -0.266 -0.107) 0.869 8.720 ( -0.820 0.266 -0.107) 0.869 8.782 ( -0.189 -0.344 0.370) 0.539 8.782 ( -0.189 0.344 0.370) 0.539 8.889 ( -0.667 -0.090 -0.064) 0.676 8.889 ( -0.667 0.090 -0.064) 0.676 8.942 ( -0.017 -0.197 0.106) 0.225 8.942 ( -0.017 0.197 0.106) 0.225 9.041 ( -0.641 -0.251 0.022) 0.689 9.041 ( -0.641 0.251 0.022) 0.689 9.245 ( -4.387 -0.474 -0.108) 4.414 9.245 ( -4.387 0.474 -0.108) 4.414 9.369 ( 0.622 -0.453 0.003) 0.769 9.369 ( 0.622 0.453 0.003) 0.769 9.413 ( 1.291 -0.115 -0.055) 1.298 9.413 ( 1.291 0.115 -0.055) 1.298 11.969 ( 0.515 -0.051 -0.094) 0.526 11.969 ( 0.515 0.051 -0.094) 0.526 12.062 ( -1.503 -0.234 -0.005) 1.521 12.062 ( -1.503 0.234 -0.005) 1.521 12.229 ( 0.932 -1.312 0.269) 1.632 12.229 ( 0.932 1.312 0.269) 1.632 12.314 ( 0.711 -0.231 -1.107) 1.335 12.314 ( 0.711 0.231 -1.107) 1.335 12.335 ( -0.720 -1.100 0.975) 1.637 12.335 ( -0.720 1.100 0.975) 1.637 12.575 ( -0.125 -1.917 -1.200) 2.265 12.575 ( -0.125 1.917 -1.200) 2.265 12.682 ( 1.011 -1.209 1.149) 1.950 12.682 ( 1.011 1.209 1.149) 1.950 13.076 ( -0.488 -1.391 -0.099) 1.477 13.076 ( -0.488 1.391 -0.099) 1.477======================= Grid point 124 (69/69) =======================q-point: (-0.11 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -6.982 -9.611 -4.334) 12.645 0.646 ( -6.982 9.611 -4.334) 12.645 0.896 ( -20.450 -7.482 3.353) 22.032 0.896 ( -20.450 7.482 3.353) 22.032 1.261 ( -2.869 -4.863 1.575) 5.862 1.261 ( -2.869 4.863 1.575) 5.862 1.562 ( -3.746 -2.150 -2.183) 4.839 1.562 ( -3.746 2.150 -2.183) 4.839 1.737 ( -1.555 -2.888 -1.744) 3.715 1.737 ( -1.555 2.888 -1.744) 3.715 1.877 ( -2.780 -2.852 2.050) 4.480 1.877 ( -2.780 2.852 2.050) 4.480 2.645 ( 6.035 -0.178 -1.799) 6.300 2.645 ( 6.035 0.178 -1.799) 6.300 2.888 ( 0.074 -0.226 0.728) 0.766 2.888 ( 0.074 0.226 0.728) 0.766 3.811 ( -1.413 -2.039 3.949) 4.664 3.811 ( -1.413 2.039 3.949) 4.664 3.933 ( -0.765 -2.227 -0.192) 2.363 3.933 ( -0.765 2.227 -0.192) 2.363 4.764 ( 3.130 -6.514 -5.099) 8.844 4.764 ( 3.130 6.514 -5.099) 8.844 5.182 ( 0.355 -1.891 -0.795) 2.082 5.182 ( 0.355 1.891 -0.795) 2.082 5.384 ( 0.203 -1.772 1.217) 2.160 5.384 ( 0.203 1.772 1.217) 2.160 5.469 ( 3.841 -0.265 1.113) 4.008 5.469 ( 3.841 0.265 1.113) 4.008 5.576 ( -3.660 -8.331 6.779) 11.347 5.576 ( -3.660 8.331 6.779) 11.347 5.744 ( 1.174 -7.277 -6.191) 9.626 5.744 ( 1.174 7.277 -6.191) 9.626 6.289 ( -2.954 -0.382 -0.141) 2.982 6.289 ( -2.954 0.382 -0.141) 2.982 6.370 ( 1.549 -0.981 0.835) 2.015 6.370 ( 1.549 0.981 0.835) 2.015 6.406 ( 7.878 -0.931 0.036) 7.933 6.406 ( 7.878 0.931 0.036) 7.933 6.450 ( -0.220 -0.664 -0.053) 0.701 6.450 ( -0.220 0.664 -0.053) 0.701 6.761 ( -8.840 -0.242 0.193) 8.845 6.761 ( -8.840 0.242 0.193) 8.845 7.208 ( 2.437 -0.560 -0.101) 2.502 7.208 ( 2.437 0.560 -0.101) 2.502 7.356 ( 0.107 -0.687 0.253) 0.740 7.356 ( 0.107 0.687 0.253) 0.740 7.645 ( 3.016 -0.155 -0.105) 3.022 7.645 ( 3.016 0.155 -0.105) 3.022 7.932 ( 0.302 -0.294 -0.030) 0.423 7.932 ( 0.302 0.294 -0.030) 0.423 7.991 ( -0.094 -0.171 -0.028) 0.197 7.991 ( -0.094 0.171 -0.028) 0.197 8.337 ( 1.055 -0.482 0.168) 1.172 8.337 ( 1.055 0.482 0.168) 1.172 8.387 ( -0.857 -0.459 -0.367) 1.039 8.387 ( -0.857 0.459 -0.367) 1.039 8.438 ( -2.032 -0.299 0.109) 2.057 8.438 ( -2.032 0.299 0.109) 2.057 8.486 ( -0.419 -0.378 -0.417) 0.701 8.486 ( -0.419 0.378 -0.417) 0.701 8.539 ( -0.152 -0.610 0.624) 0.886 8.539 ( -0.152 0.610 0.624) 0.886 8.655 ( 0.315 -0.411 -0.317) 0.607 8.655 ( 0.315 0.411 -0.317) 0.607 8.701 ( -1.007 -0.265 -0.132) 1.050 8.701 ( -1.007 0.265 -0.132) 1.050 8.787 ( 0.200 -0.421 0.389) 0.607 8.787 ( 0.200 0.421 0.389) 0.607 8.882 ( -0.276 -0.064 -0.003) 0.284 8.882 ( -0.276 0.064 -0.003) 0.284 8.964 ( 2.436 -0.523 0.076) 2.493 8.964 ( 2.436 0.523 0.076) 2.493 9.030 ( -0.378 -0.461 0.054) 0.599 9.030 ( -0.378 0.461 0.054) 0.599 9.157 ( -5.278 -0.554 -0.189) 5.310 9.157 ( -5.278 0.554 -0.189) 5.310 9.378 ( 0.405 -0.462 -0.022) 0.615 9.378 ( 0.405 0.462 -0.022) 0.615 9.432 ( 0.849 -0.159 -0.097) 0.869 9.432 ( 0.849 0.159 -0.097) 0.869 11.978 ( 0.633 -0.124 -0.074) 0.649 11.978 ( 0.633 0.124 -0.074) 0.649 12.035 ( -1.401 -0.239 -0.002) 1.422 12.035 ( -1.401 0.239 -0.002) 1.422 12.245 ( 0.654 -1.261 0.305) 1.452 12.245 ( 0.654 1.261 0.305) 1.452 12.316 ( 0.215 -0.289 -0.317) 0.480 12.316 ( 0.215 0.289 -0.317) 0.480 12.331 ( -0.308 -0.783 0.239) 0.875 12.331 ( -0.308 0.783 0.239) 0.875 12.560 ( -0.393 -1.467 -0.925) 1.778 12.560 ( -0.393 1.467 -0.925) 1.778 12.709 ( 0.975 -0.992 0.877) 1.644 12.709 ( 0.975 0.992 0.877) 1.644 13.067 ( -0.402 -1.218 -0.131) 1.290 13.067 ( -0.402 1.218 -0.131) 1.290=================== 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 3/17280 10.0 131.538 61.316 58.731 0.000 -13.208 0.000 3/17280 20.0 60.565 22.486 20.679 0.000 -5.008 0.000 3/17280 30.0 38.942 13.704 12.573 0.000 -2.960 0.000 3/17280 40.0 28.790 9.971 9.129 0.000 -2.129 0.000 3/17280 50.0 22.816 7.924 7.234 0.000 -1.700 0.000 3/17280 60.0 18.871 6.622 6.028 0.000 -1.437 0.000 3/17280 70.0 16.073 5.708 5.182 0.000 -1.256 0.000 3/17280 80.0 13.986 5.023 4.549 0.000 -1.120 0.000 3/17280 90.0 12.372 4.487 4.056 0.000 -1.011 0.000 3/17280 100.0 11.088 4.054 3.659 0.000 -0.923 0.000 3/17280 110.0 10.042 3.697 3.333 0.000 -0.848 0.000 3/17280 120.0 9.176 3.397 3.060 0.000 -0.784 0.000 3/17280 130.0 8.446 3.142 2.828 0.000 -0.729 0.000 3/17280 140.0 7.824 2.923 2.628 0.000 -0.682 0.000 3/17280 150.0 7.287 2.731 2.455 0.000 -0.639 0.000 3/17280 160.0 6.820 2.564 2.303 0.000 -0.602 0.000 3/17280 170.0 6.409 2.415 2.169 0.000 -0.569 0.000 3/17280 180.0 6.045 2.283 2.049 0.000 -0.539 0.000 3/17280 190.0 5.720 2.164 1.942 0.000 -0.512 0.000 3/17280 200.0 5.429 2.058 1.846 0.000 -0.488 0.000 3/17280 210.0 5.166 1.961 1.759 0.000 -0.465 0.000 3/17280 220.0 4.928 1.873 1.680 0.000 -0.445 0.000 3/17280 230.0 4.710 1.792 1.607 0.000 -0.427 0.000 3/17280 240.0 4.512 1.719 1.541 0.000 -0.409 0.000 3/17280 250.0 4.329 1.651 1.480 0.000 -0.394 0.000 3/17280 260.0 4.161 1.588 1.423 0.000 -0.379 0.000 3/17280 270.0 4.006 1.530 1.371 0.000 -0.365 0.000 3/17280 280.0 3.861 1.476 1.322 0.000 -0.353 0.000 3/17280 290.0 3.727 1.425 1.277 0.000 -0.341 0.000 3/17280 300.0 3.602 1.378 1.235 0.000 -0.330 0.000 3/17280 310.0 3.486 1.334 1.195 0.000 -0.320 0.000 3/17280 320.0 3.376 1.293 1.158 0.000 -0.310 0.000 3/17280 330.0 3.273 1.254 1.124 0.000 -0.301 0.000 3/17280 340.0 3.177 1.218 1.091 0.000 -0.292 0.000 3/17280 350.0 3.086 1.184 1.060 0.000 -0.284 0.000 3/17280 360.0 3.000 1.151 1.031 0.000 -0.276 0.000 3/17280 370.0 2.919 1.120 1.003 0.000 -0.269 0.000 3/17280 380.0 2.842 1.091 0.977 0.000 -0.262 0.000 3/17280 390.0 2.769 1.063 0.952 0.000 -0.255 0.000 3/17280 400.0 2.700 1.037 0.929 0.000 -0.249 0.000 3/17280 410.0 2.634 1.012 0.906 0.000 -0.243 0.000 3/17280 420.0 2.571 0.988 0.885 0.000 -0.237 0.000 3/17280 430.0 2.511 0.965 0.864 0.000 -0.232 0.000 3/17280 440.0 2.454 0.944 0.845 0.000 -0.227 0.000 3/17280 450.0 2.400 0.923 0.826 0.000 -0.222 0.000 3/17280 460.0 2.348 0.903 0.809 0.000 -0.217 0.000 3/17280 470.0 2.298 0.884 0.791 0.000 -0.213 0.000 3/17280 480.0 2.250 0.866 0.775 0.000 -0.208 0.000 3/17280 490.0 2.204 0.848 0.759 0.000 -0.204 0.000 3/17280 500.0 2.160 0.832 0.744 0.000 -0.200 0.000 3/17280 510.0 2.118 0.815 0.730 0.000 -0.196 0.000 3/17280 520.0 2.077 0.800 0.716 0.000 -0.193 0.000 3/17280 530.0 2.038 0.785 0.703 0.000 -0.189 0.000 3/17280 540.0 2.000 0.771 0.690 0.000 -0.186 0.000 3/17280 550.0 1.964 0.757 0.677 0.000 -0.182 0.000 3/17280 560.0 1.929 0.743 0.665 0.000 -0.179 0.000 3/17280 570.0 1.895 0.730 0.654 0.000 -0.176 0.000 3/17280 580.0 1.863 0.718 0.643 0.000 -0.173 0.000 3/17280 590.0 1.831 0.706 0.632 0.000 -0.170 0.000 3/17280 600.0 1.801 0.694 0.621 0.000 -0.167 0.000 3/17280 610.0 1.772 0.683 0.611 0.000 -0.165 0.000 3/17280 620.0 1.743 0.672 0.602 0.000 -0.162 0.000 3/17280 630.0 1.716 0.661 0.592 0.000 -0.159 0.000 3/17280 640.0 1.689 0.651 0.583 0.000 -0.157 0.000 3/17280 650.0 1.663 0.641 0.574 0.000 -0.155 0.000 3/17280 660.0 1.638 0.632 0.565 0.000 -0.152 0.000 3/17280 670.0 1.613 0.622 0.557 0.000 -0.150 0.000 3/17280 680.0 1.590 0.613 0.549 0.000 -0.148 0.000 3/17280 690.0 1.567 0.604 0.541 0.000 -0.146 0.000 3/17280 700.0 1.545 0.596 0.533 0.000 -0.144 0.000 3/17280 710.0 1.523 0.588 0.526 0.000 -0.142 0.000 3/17280 720.0 1.502 0.580 0.519 0.000 -0.140 0.000 3/17280 730.0 1.481 0.572 0.512 0.000 -0.138 0.000 3/17280 740.0 1.461 0.564 0.505 0.000 -0.136 0.000 3/17280 750.0 1.442 0.557 0.498 0.000 -0.134 0.000 3/17280 760.0 1.423 0.549 0.492 0.000 -0.132 0.000 3/17280 770.0 1.405 0.542 0.485 0.000 -0.131 0.000 3/17280 780.0 1.387 0.535 0.479 0.000 -0.129 0.000 3/17280 790.0 1.369 0.529 0.473 0.000 -0.127 0.000 3/17280 800.0 1.352 0.522 0.467 0.000 -0.126 0.000 3/17280 810.0 1.336 0.516 0.462 0.000 -0.124 0.000 3/17280 820.0 1.319 0.509 0.456 0.000 -0.123 0.000 3/17280 830.0 1.304 0.503 0.450 0.000 -0.121 0.000 3/17280 840.0 1.288 0.497 0.445 0.000 -0.120 0.000 3/17280 850.0 1.273 0.492 0.440 0.000 -0.119 0.000 3/17280 860.0 1.258 0.486 0.435 0.000 -0.117 0.000 3/17280 870.0 1.244 0.480 0.430 0.000 -0.116 0.000 3/17280 880.0 1.230 0.475 0.425 0.000 -0.115 0.000 3/17280 890.0 1.216 0.470 0.420 0.000 -0.113 0.000 3/17280 900.0 1.203 0.465 0.416 0.000 -0.112 0.000 3/17280 910.0 1.190 0.459 0.411 0.000 -0.111 0.000 3/17280 920.0 1.177 0.455 0.407 0.000 -0.110 0.000 3/17280 930.0 1.164 0.450 0.402 0.000 -0.108 0.000 3/17280 940.0 1.152 0.445 0.398 0.000 -0.107 0.000 3/17280 950.0 1.140 0.440 0.394 0.000 -0.106 0.000 3/17280 960.0 1.128 0.436 0.390 0.000 -0.105 0.000 3/17280 970.0 1.116 0.431 0.386 0.000 -0.104 0.000 3/17280 980.0 1.105 0.427 0.382 0.000 -0.103 0.000 3/17280 990.0 1.094 0.423 0.378 0.000 -0.102 0.000 3/17280 1000.0 1.083 0.418 0.374 0.000 -0.101 0.000 3/17280Thermal conductivity related properties were written into "kappa-m945.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:33:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|