----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:55:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.103399725023149 -2.529895515000000 0.000000000000000 b 6.103399725023149 2.529895515000000 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): *1 Er 0.86725417275457 0.37105760280792 0.03652843428739 167.259 2 Er 0.13274582724543 0.62894239719208 0.96347156571261 167.259 3 Er 0.37105760280792 0.86725417275457 0.53652843428739 167.259 4 Er 0.62894239719208 0.13274582724543 0.46347156571261 167.259 *5 Te 0.59227790674933 0.16120883637590 0.12831775301288 127.600 *6 Te 0.40439348476772 0.84711119983636 0.20115189569903 127.600 7 Te 0.83879116362410 0.40772209325067 0.37168224698712 127.600 8 Te 0.59560651523228 0.15288880016364 0.79884810430097 127.600 9 Te 0.84711119983636 0.40439348476772 0.70115189569903 127.600 10 Te 0.40772209325067 0.83879116362410 0.87168224698712 127.600 11 Te 0.16120883637590 0.59227790674933 0.62831775301288 127.600 12 Te 0.15288880016364 0.59560651523228 0.29884810430097 127.600 *13 O 0.21700766519709 0.08837830490840 0.66911204146520 15.999 *14 O 0.31381359369771 0.19036584462287 0.87053998291565 15.999 15 O 0.68618640630229 0.80963415537713 0.12946001708435 15.999 *16 O 0.66153030245853 0.75520859846669 0.44758837469372 15.999 17 O 0.91162169509160 0.78299233480291 0.83088795853480 15.999 18 O 0.80963415537713 0.68618640630229 0.62946001708435 15.999 19 O 0.78299233480291 0.91162169509160 0.33088795853480 15.999 *20 O 0.17255118914914 0.96163310174332 0.95498381021173 15.999 21 O 0.96163310174332 0.17255118914914 0.45498381021173 15.999 22 O 0.75520859846669 0.66153030245853 0.94758837469372 15.999 23 O 0.24479140153331 0.33846969754147 0.05241162530628 15.999 *24 O 0.86488437521300 0.13511562478700 0.75000000000000 15.999 *25 O 0.44687367986018 0.59984375625697 0.09544838997424 15.999 26 O 0.19036584462287 0.31381359369771 0.37053998291565 15.999 27 O 0.55312632013982 0.40015624374303 0.90455161002576 15.999 28 O 0.59984375625697 0.44687367986018 0.59544838997424 15.999 29 O 0.13511562478700 0.86488437521300 0.25000000000000 15.999 30 O 0.40015624374303 0.55312632013982 0.40455161002576 15.999 31 O 0.33846969754147 0.24479140153331 0.55241162530628 15.999 32 O 0.03836689825668 0.82744881085086 0.54501618978827 15.999 33 O 0.82744881085086 0.03836689825668 0.04501618978827 15.999 34 O 0.08837830490840 0.21700766519709 0.16911204146520 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.206799450046297 0.000000000000000 0.000000000000000 b 0.000000000000000 5.059791030000000 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): *1 Er 0.61915588778124 0.75190171502668 0.03652843428739 167.259 > 1 2 Er 0.38084411221876 0.24809828497333 0.96347156571261 167.259 > 2 3 Er 0.11915588778124 0.74809828497332 0.53652843428739 167.259 > 3 4 Er 0.88084411221876 0.25190171502668 0.46347156571261 167.259 > 4 5 Er 0.11915588778124 0.25190171502668 0.03652843428739 167.259 > 1 6 Er 0.88084411221876 0.74809828497332 0.96347156571261 167.259 > 2 7 Er 0.61915588778124 0.24809828497333 0.53652843428739 167.259 > 3 8 Er 0.38084411221876 0.75190171502668 0.46347156571261 167.259 > 4 *9 Te 0.87674337156261 0.28446546481328 0.12831775301288 127.600 > 5 *10 Te 0.62575234230204 0.22135885753432 0.20115189569903 127.600 > 6 11 Te 0.12325662843738 0.28446546481328 0.37168224698712 127.600 > 7 12 Te 0.37424765769796 0.77864114246568 0.79884810430097 127.600 > 8 13 Te 0.12575234230204 0.27864114246568 0.70115189569903 127.600 > 9 14 Te 0.12325662843738 0.71553453518671 0.87168224698712 127.600 > 10 15 Te 0.87674337156261 0.71553453518671 0.62831775301288 127.600 > 11 16 Te 0.87424765769796 0.72135885753432 0.29884810430097 127.600 > 12 17 Te 0.37674337156261 0.78446546481329 0.12831775301288 127.600 > 5 18 Te 0.12575234230204 0.72135885753432 0.20115189569903 127.600 > 6 19 Te 0.62325662843739 0.78446546481329 0.37168224698712 127.600 > 7 20 Te 0.87424765769796 0.27864114246568 0.79884810430097 127.600 > 8 21 Te 0.62575234230204 0.77864114246568 0.70115189569903 127.600 > 9 22 Te 0.62325662843739 0.21553453518672 0.87168224698712 127.600 > 10 23 Te 0.37674337156261 0.21553453518672 0.62831775301288 127.600 > 11 24 Te 0.37424765769796 0.22135885753432 0.29884810430097 127.600 > 12 *25 O 0.15269298505275 0.93568531985565 0.66911204146520 15.999 > 13 *26 O 0.25208971916029 0.93827612546258 0.87053998291565 15.999 > 14 27 O 0.74791028083971 0.06172387453742 0.12946001708435 15.999 > 15 *28 O 0.20836945046261 0.54683914800408 0.44758837469372 15.999 > 16 29 O 0.34730701494725 0.43568531985565 0.83088795853480 15.999 > 17 30 O 0.24791028083971 0.43827612546258 0.62946001708435 15.999 > 18 31 O 0.84730701494725 0.06431468014435 0.33088795853480 15.999 > 19 *32 O 0.06709214544623 0.89454095629709 0.95498381021173 15.999 > 20 33 O 0.06709214544623 0.10545904370291 0.45498381021173 15.999 > 21 34 O 0.20836945046261 0.45316085199592 0.94758837469372 15.999 > 22 35 O 0.79163054953739 0.54683914800408 0.05241162530628 15.999 > 23 *36 O 0.00000000000000 0.13511562478700 0.75000000000000 15.999 > 24 *37 O 0.02335871805858 0.57648503819839 0.09544838997424 15.999 > 25 38 O 0.75208971916029 0.56172387453742 0.37053998291565 15.999 > 26 39 O 0.97664128194142 0.42351496180161 0.90455161002576 15.999 > 27 40 O 0.02335871805858 0.42351496180161 0.59544838997424 15.999 > 28 41 O 0.00000000000000 0.86488437521300 0.25000000000000 15.999 > 29 42 O 0.97664128194142 0.57648503819839 0.40455161002576 15.999 > 30 43 O 0.79163054953739 0.45316085199592 0.55241162530628 15.999 > 31 44 O 0.93290785455377 0.89454095629709 0.54501618978827 15.999 > 32 45 O 0.93290785455377 0.10545904370291 0.04501618978827 15.999 > 33 46 O 0.65269298505275 0.56431468014435 0.16911204146520 15.999 > 34 47 O 0.65269298505275 0.43568531985565 0.66911204146520 15.999 > 13 48 O 0.75208971916029 0.43827612546258 0.87053998291565 15.999 > 14 49 O 0.24791028083971 0.56172387453742 0.12946001708435 15.999 > 15 50 O 0.70836945046261 0.04683914800408 0.44758837469372 15.999 > 16 51 O 0.84730701494725 0.93568531985565 0.83088795853480 15.999 > 17 52 O 0.74791028083971 0.93827612546258 0.62946001708435 15.999 > 18 53 O 0.34730701494725 0.56431468014435 0.33088795853480 15.999 > 19 54 O 0.56709214544623 0.39454095629709 0.95498381021173 15.999 > 20 55 O 0.56709214544623 0.60545904370291 0.45498381021173 15.999 > 21 56 O 0.70836945046261 0.95316085199592 0.94758837469372 15.999 > 22 57 O 0.29163054953739 0.04683914800408 0.05241162530628 15.999 > 23 58 O 0.50000000000000 0.63511562478700 0.75000000000000 15.999 > 24 59 O 0.52335871805858 0.07648503819839 0.09544838997424 15.999 > 25 60 O 0.25208971916029 0.06172387453742 0.37053998291565 15.999 > 26 61 O 0.47664128194142 0.92351496180161 0.90455161002576 15.999 > 27 62 O 0.52335871805858 0.92351496180161 0.59544838997424 15.999 > 28 63 O 0.50000000000000 0.36488437521300 0.25000000000000 15.999 > 29 64 O 0.47664128194142 0.07648503819839 0.40455161002576 15.999 > 30 65 O 0.29163054953739 0.95316085199592 0.55241162530628 15.999 > 31 66 O 0.43290785455377 0.39454095629709 0.54501618978827 15.999 > 32 67 O 0.43290785455377 0.60545904370291 0.04501618978827 15.999 > 33 68 O 0.15269298505275 0.06431468014435 0.16911204146520 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.206799450046297 0.000000000000000 0.000000000000000 b 0.000000000000000 10.119582060000001 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): *1 Er 0.61915588778124 0.37595085751334 0.03652843428739 167.259 > 1 2 Er 0.61915588778124 0.87595085751334 0.03652843428739 167.259 > 1 3 Er 0.38084411221876 0.12404914248666 0.96347156571261 167.259 > 2 4 Er 0.38084411221876 0.62404914248666 0.96347156571261 167.259 > 2 5 Er 0.11915588778124 0.37404914248666 0.53652843428739 167.259 > 3 6 Er 0.11915588778124 0.87404914248666 0.53652843428739 167.259 > 3 7 Er 0.88084411221876 0.12595085751334 0.46347156571261 167.259 > 4 8 Er 0.88084411221876 0.62595085751334 0.46347156571261 167.259 > 4 9 Er 0.11915588778124 0.12595085751334 0.03652843428739 167.259 > 1 10 Er 0.11915588778124 0.62595085751334 0.03652843428739 167.259 > 1 11 Er 0.88084411221876 0.37404914248666 0.96347156571261 167.259 > 2 12 Er 0.88084411221876 0.87404914248666 0.96347156571261 167.259 > 2 13 Er 0.61915588778124 0.12404914248666 0.53652843428739 167.259 > 3 14 Er 0.61915588778124 0.62404914248666 0.53652843428739 167.259 > 3 15 Er 0.38084411221876 0.37595085751334 0.46347156571261 167.259 > 4 16 Er 0.38084411221876 0.87595085751334 0.46347156571261 167.259 > 4 *17 Te 0.87674337156261 0.14223273240664 0.12831775301288 127.600 > 5 18 Te 0.87674337156261 0.64223273240664 0.12831775301288 127.600 > 5 *19 Te 0.62575234230204 0.11067942876716 0.20115189569903 127.600 > 6 20 Te 0.62575234230204 0.61067942876716 0.20115189569903 127.600 > 6 21 Te 0.12325662843738 0.14223273240664 0.37168224698712 127.600 > 7 22 Te 0.12325662843738 0.64223273240664 0.37168224698712 127.600 > 7 23 Te 0.37424765769796 0.38932057123284 0.79884810430097 127.600 > 8 24 Te 0.37424765769796 0.88932057123284 0.79884810430097 127.600 > 8 25 Te 0.12575234230204 0.13932057123284 0.70115189569903 127.600 > 9 26 Te 0.12575234230204 0.63932057123284 0.70115189569903 127.600 > 9 27 Te 0.12325662843738 0.35776726759336 0.87168224698712 127.600 > 10 28 Te 0.12325662843738 0.85776726759336 0.87168224698712 127.600 > 10 29 Te 0.87674337156261 0.35776726759336 0.62831775301288 127.600 > 11 30 Te 0.87674337156261 0.85776726759336 0.62831775301288 127.600 > 11 31 Te 0.87424765769796 0.36067942876716 0.29884810430097 127.600 > 12 32 Te 0.87424765769796 0.86067942876716 0.29884810430097 127.600 > 12 33 Te 0.37674337156261 0.39223273240664 0.12831775301288 127.600 > 5 34 Te 0.37674337156261 0.89223273240664 0.12831775301288 127.600 > 5 35 Te 0.12575234230204 0.36067942876716 0.20115189569903 127.600 > 6 36 Te 0.12575234230204 0.86067942876716 0.20115189569903 127.600 > 6 37 Te 0.62325662843739 0.39223273240664 0.37168224698712 127.600 > 7 38 Te 0.62325662843739 0.89223273240664 0.37168224698712 127.600 > 7 39 Te 0.87424765769796 0.13932057123284 0.79884810430097 127.600 > 8 40 Te 0.87424765769796 0.63932057123284 0.79884810430097 127.600 > 8 41 Te 0.62575234230204 0.38932057123284 0.70115189569903 127.600 > 9 42 Te 0.62575234230204 0.88932057123284 0.70115189569903 127.600 > 9 43 Te 0.62325662843739 0.10776726759336 0.87168224698712 127.600 > 10 44 Te 0.62325662843739 0.60776726759336 0.87168224698712 127.600 > 10 45 Te 0.37674337156261 0.10776726759336 0.62831775301288 127.600 > 11 46 Te 0.37674337156261 0.60776726759336 0.62831775301288 127.600 > 11 47 Te 0.37424765769796 0.11067942876716 0.29884810430097 127.600 > 12 48 Te 0.37424765769796 0.61067942876716 0.29884810430097 127.600 > 12 *49 O 0.15269298505275 0.46784265992783 0.66911204146520 15.999 > 13 50 O 0.15269298505275 0.96784265992783 0.66911204146520 15.999 > 13 *51 O 0.25208971916029 0.46913806273129 0.87053998291565 15.999 > 14 52 O 0.25208971916029 0.96913806273129 0.87053998291565 15.999 > 14 53 O 0.74791028083971 0.03086193726871 0.12946001708435 15.999 > 15 54 O 0.74791028083971 0.53086193726871 0.12946001708435 15.999 > 15 *55 O 0.20836945046261 0.27341957400204 0.44758837469372 15.999 > 16 56 O 0.20836945046261 0.77341957400204 0.44758837469372 15.999 > 16 57 O 0.34730701494725 0.21784265992783 0.83088795853480 15.999 > 17 58 O 0.34730701494725 0.71784265992783 0.83088795853480 15.999 > 17 59 O 0.24791028083971 0.21913806273129 0.62946001708435 15.999 > 18 60 O 0.24791028083971 0.71913806273129 0.62946001708435 15.999 > 18 61 O 0.84730701494725 0.03215734007217 0.33088795853480 15.999 > 19 62 O 0.84730701494725 0.53215734007217 0.33088795853480 15.999 > 19 *63 O 0.06709214544623 0.44727047814854 0.95498381021173 15.999 > 20 64 O 0.06709214544623 0.94727047814854 0.95498381021173 15.999 > 20 65 O 0.06709214544623 0.05272952185146 0.45498381021173 15.999 > 21 66 O 0.06709214544623 0.55272952185146 0.45498381021173 15.999 > 21 67 O 0.20836945046261 0.22658042599796 0.94758837469372 15.999 > 22 68 O 0.20836945046261 0.72658042599796 0.94758837469372 15.999 > 22 69 O 0.79163054953739 0.27341957400204 0.05241162530628 15.999 > 23 70 O 0.79163054953739 0.77341957400204 0.05241162530628 15.999 > 23 *71 O 0.00000000000000 0.06755781239350 0.75000000000000 15.999 > 24 72 O 0.00000000000000 0.56755781239350 0.75000000000000 15.999 > 24 *73 O 0.02335871805858 0.28824251909920 0.09544838997424 15.999 > 25 74 O 0.02335871805858 0.78824251909920 0.09544838997424 15.999 > 25 75 O 0.75208971916029 0.28086193726871 0.37053998291565 15.999 > 26 76 O 0.75208971916029 0.78086193726871 0.37053998291565 15.999 > 26 77 O 0.97664128194142 0.21175748090080 0.90455161002576 15.999 > 27 78 O 0.97664128194142 0.71175748090080 0.90455161002576 15.999 > 27 79 O 0.02335871805858 0.21175748090080 0.59544838997424 15.999 > 28 80 O 0.02335871805858 0.71175748090080 0.59544838997424 15.999 > 28 81 O 0.00000000000000 0.43244218760650 0.25000000000000 15.999 > 29 82 O 0.00000000000000 0.93244218760650 0.25000000000000 15.999 > 29 83 O 0.97664128194142 0.28824251909920 0.40455161002576 15.999 > 30 84 O 0.97664128194142 0.78824251909920 0.40455161002576 15.999 > 30 85 O 0.79163054953739 0.22658042599796 0.55241162530628 15.999 > 31 86 O 0.79163054953739 0.72658042599796 0.55241162530628 15.999 > 31 87 O 0.93290785455377 0.44727047814854 0.54501618978827 15.999 > 32 88 O 0.93290785455377 0.94727047814854 0.54501618978827 15.999 > 32 89 O 0.93290785455377 0.05272952185146 0.04501618978827 15.999 > 33 90 O 0.93290785455377 0.55272952185146 0.04501618978827 15.999 > 33 91 O 0.65269298505275 0.28215734007217 0.16911204146520 15.999 > 34 92 O 0.65269298505275 0.78215734007217 0.16911204146520 15.999 > 34 93 O 0.65269298505275 0.21784265992783 0.66911204146520 15.999 > 13 94 O 0.65269298505275 0.71784265992783 0.66911204146520 15.999 > 13 95 O 0.75208971916029 0.21913806273129 0.87053998291565 15.999 > 14 96 O 0.75208971916029 0.71913806273129 0.87053998291565 15.999 > 14 97 O 0.24791028083971 0.28086193726871 0.12946001708435 15.999 > 15 98 O 0.24791028083971 0.78086193726871 0.12946001708435 15.999 > 15 99 O 0.70836945046261 0.02341957400204 0.44758837469372 15.999 > 16 100 O 0.70836945046261 0.52341957400204 0.44758837469372 15.999 > 16 101 O 0.84730701494725 0.46784265992783 0.83088795853480 15.999 > 17 102 O 0.84730701494725 0.96784265992783 0.83088795853480 15.999 > 17 103 O 0.74791028083971 0.46913806273129 0.62946001708435 15.999 > 18 104 O 0.74791028083971 0.96913806273129 0.62946001708435 15.999 > 18 105 O 0.34730701494725 0.28215734007217 0.33088795853480 15.999 > 19 106 O 0.34730701494725 0.78215734007217 0.33088795853480 15.999 > 19 107 O 0.56709214544623 0.19727047814854 0.95498381021173 15.999 > 20 108 O 0.56709214544623 0.69727047814854 0.95498381021173 15.999 > 20 109 O 0.56709214544623 0.30272952185146 0.45498381021173 15.999 > 21 110 O 0.56709214544623 0.80272952185146 0.45498381021173 15.999 > 21 111 O 0.70836945046261 0.47658042599796 0.94758837469372 15.999 > 22 112 O 0.70836945046261 0.97658042599796 0.94758837469372 15.999 > 22 113 O 0.29163054953739 0.02341957400204 0.05241162530628 15.999 > 23 114 O 0.29163054953739 0.52341957400204 0.05241162530628 15.999 > 23 115 O 0.50000000000000 0.31755781239350 0.75000000000000 15.999 > 24 116 O 0.50000000000000 0.81755781239350 0.75000000000000 15.999 > 24 117 O 0.52335871805858 0.03824251909920 0.09544838997424 15.999 > 25 118 O 0.52335871805858 0.53824251909920 0.09544838997424 15.999 > 25 119 O 0.25208971916029 0.03086193726871 0.37053998291565 15.999 > 26 120 O 0.25208971916029 0.53086193726871 0.37053998291565 15.999 > 26 121 O 0.47664128194142 0.46175748090080 0.90455161002576 15.999 > 27 122 O 0.47664128194142 0.96175748090080 0.90455161002576 15.999 > 27 123 O 0.52335871805858 0.46175748090080 0.59544838997424 15.999 > 28 124 O 0.52335871805858 0.96175748090080 0.59544838997424 15.999 > 28 125 O 0.50000000000000 0.18244218760650 0.25000000000000 15.999 > 29 126 O 0.50000000000000 0.68244218760650 0.25000000000000 15.999 > 29 127 O 0.47664128194142 0.03824251909920 0.40455161002576 15.999 > 30 128 O 0.47664128194142 0.53824251909920 0.40455161002576 15.999 > 30 129 O 0.29163054953739 0.47658042599796 0.55241162530628 15.999 > 31 130 O 0.29163054953739 0.97658042599796 0.55241162530628 15.999 > 31 131 O 0.43290785455377 0.19727047814854 0.54501618978827 15.999 > 32 132 O 0.43290785455377 0.69727047814854 0.54501618978827 15.999 > 32 133 O 0.43290785455377 0.30272952185146 0.04501618978827 15.999 > 33 134 O 0.43290785455377 0.80272952185146 0.04501618978827 15.999 > 33 135 O 0.15269298505275 0.03215734007217 0.16911204146520 15.999 > 34 136 O 0.15269298505275 0.53215734007217 0.16911204146520 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5764428 0.0000000 -0.5372465 0.0000000 4.9969362 0.0000000 -0.5372421 0.0000000 4.7246986 -------------------------- Born effective charges -------------------------- 1 Er 3.9598091 -0.1418277 -0.4243273 0.0109761 4.4329927 -0.2209724 -0.2510647 0.1063395 4.6555999 2 Er 3.9598091 -0.1418277 -0.4243273 0.0109761 4.4329927 -0.2209724 -0.2510647 0.1063395 4.6555999 3 Er 3.9598091 0.1418277 -0.4243273 -0.0109761 4.4329927 0.2209724 -0.2510647 -0.1063395 4.6555999 4 Er 3.9598091 0.1418277 -0.4243273 -0.0109761 4.4329927 0.2209724 -0.2510647 -0.1063395 4.6555999 5 Te 4.9543310 1.0367172 -0.3334634 0.5311928 4.1437451 -0.6410370 -0.3811487 -0.6359696 3.0481868 6 Te 5.8733766 -0.8140416 -0.9680177 -0.1978799 3.5785206 0.6689571 -1.0136450 0.9423358 3.6965291 7 Te 4.9543310 -1.0367172 -0.3334634 -0.5311928 4.1437451 0.6410370 -0.3811487 0.6359696 3.0481868 8 Te 5.8733766 -0.8140416 -0.9680177 -0.1978799 3.5785206 0.6689571 -1.0136450 0.9423358 3.6965291 9 Te 5.8733766 0.8140416 -0.9680177 0.1978799 3.5785206 -0.6689571 -1.0136450 -0.9423358 3.6965291 10 Te 4.9543310 1.0367172 -0.3334634 0.5311928 4.1437451 -0.6410370 -0.3811487 -0.6359696 3.0481868 11 Te 4.9543310 -1.0367172 -0.3334634 -0.5311928 4.1437451 0.6410370 -0.3811487 0.6359696 3.0481868 12 Te 5.8733766 0.8140416 -0.9680177 0.1978799 3.5785206 -0.6689571 -1.0136450 -0.9423358 3.6965291 13 O -1.7441576 0.7273097 0.3612979 0.3201199 -2.7145552 -0.8495484 0.0771706 -0.4456408 -1.9572233 14 O -3.9043577 -0.7260124 0.4252261 -0.9594628 -1.9953485 -0.2825896 0.7704237 -0.0108673 -1.6822481 15 O -3.9043577 -0.7260124 0.4252261 -0.9594628 -1.9953485 -0.2825896 0.7704237 -0.0108673 -1.6822481 16 O -2.1207596 -0.3545090 -0.0620076 -0.3078542 -2.3176933 -1.2227671 -0.1187631 -0.8741613 -2.0694192 17 O -1.7441576 -0.7273097 0.3612979 -0.3201199 -2.7145552 0.8495484 0.0771706 0.4456408 -1.9572233 18 O -3.9043577 0.7260124 0.4252261 0.9594628 -1.9953485 0.2825896 0.7704237 0.0108673 -1.6822481 19 O -1.7441576 0.7273097 0.3612979 0.3201199 -2.7145552 -0.8495484 0.0771706 -0.4456408 -1.9572233 20 O -2.2960061 0.2670932 0.8826598 0.3792539 -2.2019294 -1.0658863 0.4793104 -0.9302866 -2.2346166 21 O -2.2960061 -0.2670932 0.8826598 -0.3792539 -2.2019294 1.0658863 0.4793104 0.9302866 -2.2346166 22 O -2.1207596 0.3545090 -0.0620076 0.3078542 -2.3176933 1.2227671 -0.1187631 0.8741613 -2.0694192 23 O -2.1207596 0.3545090 -0.0620076 0.3078542 -2.3176933 1.2227671 -0.1187631 0.8741613 -2.0694192 24 O -4.5458246 -0.0000000 0.9773447 -0.0000000 -1.8406449 0.0000000 1.5821936 -0.0000000 -1.6977571 25 O -2.4493235 -0.4991834 -0.3700403 -0.4804191 -2.0054096 -0.6382055 -0.3533799 -0.4564540 -2.6079300 26 O -3.9043577 0.7260124 0.4252261 0.9594628 -1.9953485 0.2825896 0.7704237 0.0108673 -1.6822481 27 O -2.4493235 -0.4991834 -0.3700403 -0.4804191 -2.0054096 -0.6382055 -0.3533799 -0.4564540 -2.6079300 28 O -2.4493235 0.4991834 -0.3700403 0.4804191 -2.0054096 0.6382055 -0.3533799 0.4564540 -2.6079300 29 O -4.5458246 -0.0000000 0.9773447 -0.0000000 -1.8406449 0.0000000 1.5821936 -0.0000000 -1.6977571 30 O -2.4493235 0.4991834 -0.3700403 0.4804191 -2.0054096 0.6382055 -0.3533799 0.4564540 -2.6079300 31 O -2.1207596 -0.3545090 -0.0620076 -0.3078542 -2.3176933 -1.2227671 -0.1187631 -0.8741613 -2.0694192 32 O -2.2960061 -0.2670932 0.8826598 -0.3792539 -2.2019294 1.0658863 0.4793104 0.9302866 -2.2346166 33 O -2.2960061 0.2670932 0.8826598 0.3792539 -2.2019294 -1.0658863 0.4793104 -0.9302866 -2.2346166 34 O -1.7441576 -0.7273097 0.3612979 -0.3201199 -2.7145552 0.8495484 0.0771706 0.4456408 -1.9572233 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 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: 1000 / 1152 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 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: 1000 / 1152 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 139), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 139), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.575 Solver_block: 200 / 1040 - Time: 1.390 Solver_block: 300 / 1040 - Time: 1.385 Solver_block: 400 / 1040 - Time: 1.384 Solver_block: 500 / 1040 - Time: 1.386 Solver_block: 600 / 1040 - Time: 1.393 Solver_block: 700 / 1040 - Time: 1.386 Solver_block: 800 / 1040 - Time: 1.386 Solver_block: 900 / 1040 - Time: 1.390 Solver_block: 1000 / 1040 - Time: 1.394 Solver_block: 1040 / 1040 - Time: 0.735 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.224 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 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: 1000 / 1152 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 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: 1000 / 1152 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 122 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 9), data: (631, 18) @ (18, 9) |-- (131, 122), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 139), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 139), data: True |-- (500, 485), data: False |-- (500, 14), data: (500, 29) @ (29, 14) |-- (250, 236), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:56:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:56:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.103399725023149 -2.529895515000000 0.000000000000000 b 6.103399725023149 2.529895515000000 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): 1 Er 0.86725417275457 0.37105760280792 0.03652843428739 167.259 2 Er 0.13274582724543 0.62894239719208 0.96347156571261 167.259 3 Er 0.37105760280792 0.86725417275457 0.53652843428739 167.259 4 Er 0.62894239719208 0.13274582724543 0.46347156571261 167.259 5 Te 0.59227790674933 0.16120883637590 0.12831775301288 127.600 6 Te 0.40439348476772 0.84711119983636 0.20115189569903 127.600 7 Te 0.83879116362410 0.40772209325067 0.37168224698712 127.600 8 Te 0.59560651523228 0.15288880016364 0.79884810430097 127.600 9 Te 0.84711119983636 0.40439348476772 0.70115189569903 127.600 10 Te 0.40772209325067 0.83879116362410 0.87168224698712 127.600 11 Te 0.16120883637590 0.59227790674933 0.62831775301288 127.600 12 Te 0.15288880016364 0.59560651523228 0.29884810430097 127.600 13 O 0.21700766519709 0.08837830490840 0.66911204146520 15.999 14 O 0.31381359369771 0.19036584462287 0.87053998291565 15.999 15 O 0.68618640630229 0.80963415537713 0.12946001708435 15.999 16 O 0.66153030245853 0.75520859846669 0.44758837469372 15.999 17 O 0.91162169509160 0.78299233480291 0.83088795853480 15.999 18 O 0.80963415537713 0.68618640630229 0.62946001708435 15.999 19 O 0.78299233480291 0.91162169509160 0.33088795853480 15.999 20 O 0.17255118914914 0.96163310174332 0.95498381021173 15.999 21 O 0.96163310174332 0.17255118914914 0.45498381021173 15.999 22 O 0.75520859846669 0.66153030245853 0.94758837469372 15.999 23 O 0.24479140153331 0.33846969754147 0.05241162530628 15.999 24 O 0.86488437521300 0.13511562478700 0.75000000000000 15.999 25 O 0.44687367986018 0.59984375625697 0.09544838997424 15.999 26 O 0.19036584462287 0.31381359369771 0.37053998291565 15.999 27 O 0.55312632013982 0.40015624374303 0.90455161002576 15.999 28 O 0.59984375625697 0.44687367986018 0.59544838997424 15.999 29 O 0.13511562478700 0.86488437521300 0.25000000000000 15.999 30 O 0.40015624374303 0.55312632013982 0.40455161002576 15.999 31 O 0.33846969754147 0.24479140153331 0.55241162530628 15.999 32 O 0.03836689825668 0.82744881085086 0.54501618978827 15.999 33 O 0.82744881085086 0.03836689825668 0.04501618978827 15.999 34 O 0.08837830490840 0.21700766519709 0.16911204146520 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.206799450046297 0.000000000000000 0.000000000000000 b 0.000000000000000 10.119582060000001 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): 1 Er 0.61915588778124 0.37595085751334 0.03652843428739 167.259 > 1 2 Er 0.61915588778124 0.87595085751334 0.03652843428739 167.259 > 1 3 Er 0.38084411221876 0.12404914248666 0.96347156571261 167.259 > 3 4 Er 0.38084411221876 0.62404914248666 0.96347156571261 167.259 > 3 5 Er 0.11915588778124 0.37404914248666 0.53652843428739 167.259 > 5 6 Er 0.11915588778124 0.87404914248666 0.53652843428739 167.259 > 5 7 Er 0.88084411221876 0.12595085751334 0.46347156571261 167.259 > 7 8 Er 0.88084411221876 0.62595085751334 0.46347156571261 167.259 > 7 9 Er 0.11915588778124 0.12595085751334 0.03652843428739 167.259 > 1 10 Er 0.11915588778124 0.62595085751334 0.03652843428739 167.259 > 1 11 Er 0.88084411221876 0.37404914248666 0.96347156571261 167.259 > 3 12 Er 0.88084411221876 0.87404914248666 0.96347156571261 167.259 > 3 13 Er 0.61915588778124 0.12404914248666 0.53652843428739 167.259 > 5 14 Er 0.61915588778124 0.62404914248666 0.53652843428739 167.259 > 5 15 Er 0.38084411221876 0.37595085751334 0.46347156571261 167.259 > 7 16 Er 0.38084411221876 0.87595085751334 0.46347156571261 167.259 > 7 17 Te 0.87674337156261 0.14223273240664 0.12831775301288 127.600 > 17 18 Te 0.87674337156261 0.64223273240664 0.12831775301288 127.600 > 17 19 Te 0.62575234230204 0.11067942876716 0.20115189569903 127.600 > 19 20 Te 0.62575234230204 0.61067942876716 0.20115189569903 127.600 > 19 21 Te 0.12325662843738 0.14223273240664 0.37168224698712 127.600 > 21 22 Te 0.12325662843738 0.64223273240664 0.37168224698712 127.600 > 21 23 Te 0.37424765769796 0.38932057123284 0.79884810430097 127.600 > 23 24 Te 0.37424765769796 0.88932057123284 0.79884810430097 127.600 > 23 25 Te 0.12575234230204 0.13932057123284 0.70115189569903 127.600 > 25 26 Te 0.12575234230204 0.63932057123284 0.70115189569903 127.600 > 25 27 Te 0.12325662843738 0.35776726759336 0.87168224698712 127.600 > 27 28 Te 0.12325662843738 0.85776726759336 0.87168224698712 127.600 > 27 29 Te 0.87674337156261 0.35776726759336 0.62831775301288 127.600 > 29 30 Te 0.87674337156261 0.85776726759336 0.62831775301288 127.600 > 29 31 Te 0.87424765769796 0.36067942876716 0.29884810430097 127.600 > 31 32 Te 0.87424765769796 0.86067942876716 0.29884810430097 127.600 > 31 33 Te 0.37674337156261 0.39223273240664 0.12831775301288 127.600 > 17 34 Te 0.37674337156261 0.89223273240664 0.12831775301288 127.600 > 17 35 Te 0.12575234230204 0.36067942876716 0.20115189569903 127.600 > 19 36 Te 0.12575234230204 0.86067942876716 0.20115189569903 127.600 > 19 37 Te 0.62325662843739 0.39223273240664 0.37168224698712 127.600 > 21 38 Te 0.62325662843739 0.89223273240664 0.37168224698712 127.600 > 21 39 Te 0.87424765769796 0.13932057123284 0.79884810430097 127.600 > 23 40 Te 0.87424765769796 0.63932057123284 0.79884810430097 127.600 > 23 41 Te 0.62575234230204 0.38932057123284 0.70115189569903 127.600 > 25 42 Te 0.62575234230204 0.88932057123284 0.70115189569903 127.600 > 25 43 Te 0.62325662843739 0.10776726759336 0.87168224698712 127.600 > 27 44 Te 0.62325662843739 0.60776726759336 0.87168224698712 127.600 > 27 45 Te 0.37674337156261 0.10776726759336 0.62831775301288 127.600 > 29 46 Te 0.37674337156261 0.60776726759336 0.62831775301288 127.600 > 29 47 Te 0.37424765769796 0.11067942876716 0.29884810430097 127.600 > 31 48 Te 0.37424765769796 0.61067942876716 0.29884810430097 127.600 > 31 49 O 0.15269298505275 0.46784265992783 0.66911204146520 15.999 > 49 50 O 0.15269298505275 0.96784265992783 0.66911204146520 15.999 > 49 51 O 0.25208971916029 0.46913806273129 0.87053998291565 15.999 > 51 52 O 0.25208971916029 0.96913806273129 0.87053998291565 15.999 > 51 53 O 0.74791028083971 0.03086193726871 0.12946001708435 15.999 > 53 54 O 0.74791028083971 0.53086193726871 0.12946001708435 15.999 > 53 55 O 0.20836945046261 0.27341957400204 0.44758837469372 15.999 > 55 56 O 0.20836945046261 0.77341957400204 0.44758837469372 15.999 > 55 57 O 0.34730701494725 0.21784265992783 0.83088795853480 15.999 > 57 58 O 0.34730701494725 0.71784265992783 0.83088795853480 15.999 > 57 59 O 0.24791028083971 0.21913806273129 0.62946001708435 15.999 > 59 60 O 0.24791028083971 0.71913806273129 0.62946001708435 15.999 > 59 61 O 0.84730701494725 0.03215734007217 0.33088795853480 15.999 > 61 62 O 0.84730701494725 0.53215734007217 0.33088795853480 15.999 > 61 63 O 0.06709214544623 0.44727047814854 0.95498381021173 15.999 > 63 64 O 0.06709214544623 0.94727047814854 0.95498381021173 15.999 > 63 65 O 0.06709214544623 0.05272952185146 0.45498381021173 15.999 > 65 66 O 0.06709214544623 0.55272952185146 0.45498381021173 15.999 > 65 67 O 0.20836945046261 0.22658042599796 0.94758837469372 15.999 > 67 68 O 0.20836945046261 0.72658042599796 0.94758837469372 15.999 > 67 69 O 0.79163054953739 0.27341957400204 0.05241162530628 15.999 > 69 70 O 0.79163054953739 0.77341957400204 0.05241162530628 15.999 > 69 71 O 0.00000000000000 0.06755781239350 0.75000000000000 15.999 > 71 72 O 0.00000000000000 0.56755781239350 0.75000000000000 15.999 > 71 73 O 0.02335871805858 0.28824251909920 0.09544838997424 15.999 > 73 74 O 0.02335871805858 0.78824251909920 0.09544838997424 15.999 > 73 75 O 0.75208971916029 0.28086193726871 0.37053998291565 15.999 > 75 76 O 0.75208971916029 0.78086193726871 0.37053998291565 15.999 > 75 77 O 0.97664128194142 0.21175748090080 0.90455161002576 15.999 > 77 78 O 0.97664128194142 0.71175748090080 0.90455161002576 15.999 > 77 79 O 0.02335871805858 0.21175748090080 0.59544838997424 15.999 > 79 80 O 0.02335871805858 0.71175748090080 0.59544838997424 15.999 > 79 81 O 0.00000000000000 0.43244218760650 0.25000000000000 15.999 > 81 82 O 0.00000000000000 0.93244218760650 0.25000000000000 15.999 > 81 83 O 0.97664128194142 0.28824251909920 0.40455161002576 15.999 > 83 84 O 0.97664128194142 0.78824251909920 0.40455161002576 15.999 > 83 85 O 0.79163054953739 0.22658042599796 0.55241162530628 15.999 > 85 86 O 0.79163054953739 0.72658042599796 0.55241162530628 15.999 > 85 87 O 0.93290785455377 0.44727047814854 0.54501618978827 15.999 > 87 88 O 0.93290785455377 0.94727047814854 0.54501618978827 15.999 > 87 89 O 0.93290785455377 0.05272952185146 0.04501618978827 15.999 > 89 90 O 0.93290785455377 0.55272952185146 0.04501618978827 15.999 > 89 91 O 0.65269298505275 0.28215734007217 0.16911204146520 15.999 > 91 92 O 0.65269298505275 0.78215734007217 0.16911204146520 15.999 > 91 93 O 0.65269298505275 0.21784265992783 0.66911204146520 15.999 > 49 94 O 0.65269298505275 0.71784265992783 0.66911204146520 15.999 > 49 95 O 0.75208971916029 0.21913806273129 0.87053998291565 15.999 > 51 96 O 0.75208971916029 0.71913806273129 0.87053998291565 15.999 > 51 97 O 0.24791028083971 0.28086193726871 0.12946001708435 15.999 > 53 98 O 0.24791028083971 0.78086193726871 0.12946001708435 15.999 > 53 99 O 0.70836945046261 0.02341957400204 0.44758837469372 15.999 > 55 100 O 0.70836945046261 0.52341957400204 0.44758837469372 15.999 > 55 101 O 0.84730701494725 0.46784265992783 0.83088795853480 15.999 > 57 102 O 0.84730701494725 0.96784265992783 0.83088795853480 15.999 > 57 103 O 0.74791028083971 0.46913806273129 0.62946001708435 15.999 > 59 104 O 0.74791028083971 0.96913806273129 0.62946001708435 15.999 > 59 105 O 0.34730701494725 0.28215734007217 0.33088795853480 15.999 > 61 106 O 0.34730701494725 0.78215734007217 0.33088795853480 15.999 > 61 107 O 0.56709214544623 0.19727047814854 0.95498381021173 15.999 > 63 108 O 0.56709214544623 0.69727047814854 0.95498381021173 15.999 > 63 109 O 0.56709214544623 0.30272952185146 0.45498381021173 15.999 > 65 110 O 0.56709214544623 0.80272952185146 0.45498381021173 15.999 > 65 111 O 0.70836945046261 0.47658042599796 0.94758837469372 15.999 > 67 112 O 0.70836945046261 0.97658042599796 0.94758837469372 15.999 > 67 113 O 0.29163054953739 0.02341957400204 0.05241162530628 15.999 > 69 114 O 0.29163054953739 0.52341957400204 0.05241162530628 15.999 > 69 115 O 0.50000000000000 0.31755781239350 0.75000000000000 15.999 > 71 116 O 0.50000000000000 0.81755781239350 0.75000000000000 15.999 > 71 117 O 0.52335871805858 0.03824251909920 0.09544838997424 15.999 > 73 118 O 0.52335871805858 0.53824251909920 0.09544838997424 15.999 > 73 119 O 0.25208971916029 0.03086193726871 0.37053998291565 15.999 > 75 120 O 0.25208971916029 0.53086193726871 0.37053998291565 15.999 > 75 121 O 0.47664128194142 0.46175748090080 0.90455161002576 15.999 > 77 122 O 0.47664128194142 0.96175748090080 0.90455161002576 15.999 > 77 123 O 0.52335871805858 0.46175748090080 0.59544838997424 15.999 > 79 124 O 0.52335871805858 0.96175748090080 0.59544838997424 15.999 > 79 125 O 0.50000000000000 0.18244218760650 0.25000000000000 15.999 > 81 126 O 0.50000000000000 0.68244218760650 0.25000000000000 15.999 > 81 127 O 0.47664128194142 0.03824251909920 0.40455161002576 15.999 > 83 128 O 0.47664128194142 0.53824251909920 0.40455161002576 15.999 > 83 129 O 0.29163054953739 0.47658042599796 0.55241162530628 15.999 > 85 130 O 0.29163054953739 0.97658042599796 0.55241162530628 15.999 > 85 131 O 0.43290785455377 0.19727047814854 0.54501618978827 15.999 > 87 132 O 0.43290785455377 0.69727047814854 0.54501618978827 15.999 > 87 133 O 0.43290785455377 0.30272952185146 0.04501618978827 15.999 > 89 134 O 0.43290785455377 0.80272952185146 0.04501618978827 15.999 > 89 135 O 0.15269298505275 0.03215734007217 0.16911204146520 15.999 > 91 136 O 0.15269298505275 0.53215734007217 0.16911204146520 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5764428 0.0000000 -0.5372465 0.0000000 4.9969362 0.0000000 -0.5372421 0.0000000 4.7246986 -------------------------- Born effective charges -------------------------- 1 Er 3.9598091 -0.1418277 -0.4243273 0.0109761 4.4329927 -0.2209724 -0.2510647 0.1063395 4.6555999 2 Er 3.9598091 -0.1418277 -0.4243273 0.0109761 4.4329927 -0.2209724 -0.2510647 0.1063395 4.6555999 3 Er 3.9598091 0.1418277 -0.4243273 -0.0109761 4.4329927 0.2209724 -0.2510647 -0.1063395 4.6555999 4 Er 3.9598091 0.1418277 -0.4243273 -0.0109761 4.4329927 0.2209724 -0.2510647 -0.1063395 4.6555999 5 Te 4.9543310 1.0367172 -0.3334634 0.5311928 4.1437451 -0.6410370 -0.3811487 -0.6359696 3.0481868 6 Te 5.8733766 -0.8140416 -0.9680177 -0.1978799 3.5785206 0.6689571 -1.0136450 0.9423358 3.6965291 7 Te 4.9543310 -1.0367172 -0.3334634 -0.5311928 4.1437451 0.6410370 -0.3811487 0.6359696 3.0481868 8 Te 5.8733766 -0.8140416 -0.9680177 -0.1978799 3.5785206 0.6689571 -1.0136450 0.9423358 3.6965291 9 Te 5.8733766 0.8140416 -0.9680177 0.1978799 3.5785206 -0.6689571 -1.0136450 -0.9423358 3.6965291 10 Te 4.9543310 1.0367172 -0.3334634 0.5311928 4.1437451 -0.6410370 -0.3811487 -0.6359696 3.0481868 11 Te 4.9543310 -1.0367172 -0.3334634 -0.5311928 4.1437451 0.6410370 -0.3811487 0.6359696 3.0481868 12 Te 5.8733766 0.8140416 -0.9680177 0.1978799 3.5785206 -0.6689571 -1.0136450 -0.9423358 3.6965291 13 O -1.7441576 0.7273097 0.3612979 0.3201199 -2.7145552 -0.8495484 0.0771706 -0.4456408 -1.9572233 14 O -3.9043577 -0.7260124 0.4252261 -0.9594628 -1.9953485 -0.2825896 0.7704237 -0.0108673 -1.6822481 15 O -3.9043577 -0.7260124 0.4252261 -0.9594628 -1.9953485 -0.2825896 0.7704237 -0.0108673 -1.6822481 16 O -2.1207596 -0.3545090 -0.0620076 -0.3078542 -2.3176933 -1.2227671 -0.1187631 -0.8741613 -2.0694192 17 O -1.7441576 -0.7273097 0.3612979 -0.3201199 -2.7145552 0.8495484 0.0771706 0.4456408 -1.9572233 18 O -3.9043577 0.7260124 0.4252261 0.9594628 -1.9953485 0.2825896 0.7704237 0.0108673 -1.6822481 19 O -1.7441576 0.7273097 0.3612979 0.3201199 -2.7145552 -0.8495484 0.0771706 -0.4456408 -1.9572233 20 O -2.2960061 0.2670932 0.8826598 0.3792539 -2.2019294 -1.0658863 0.4793104 -0.9302866 -2.2346166 21 O -2.2960061 -0.2670932 0.8826598 -0.3792539 -2.2019294 1.0658863 0.4793104 0.9302866 -2.2346166 22 O -2.1207596 0.3545090 -0.0620076 0.3078542 -2.3176933 1.2227671 -0.1187631 0.8741613 -2.0694192 23 O -2.1207596 0.3545090 -0.0620076 0.3078542 -2.3176933 1.2227671 -0.1187631 0.8741613 -2.0694192 24 O -4.5458246 -0.0000000 0.9773447 -0.0000000 -1.8406449 0.0000000 1.5821936 -0.0000000 -1.6977571 25 O -2.4493235 -0.4991834 -0.3700403 -0.4804191 -2.0054096 -0.6382055 -0.3533799 -0.4564540 -2.6079300 26 O -3.9043577 0.7260124 0.4252261 0.9594628 -1.9953485 0.2825896 0.7704237 0.0108673 -1.6822481 27 O -2.4493235 -0.4991834 -0.3700403 -0.4804191 -2.0054096 -0.6382055 -0.3533799 -0.4564540 -2.6079300 28 O -2.4493235 0.4991834 -0.3700403 0.4804191 -2.0054096 0.6382055 -0.3533799 0.4564540 -2.6079300 29 O -4.5458246 -0.0000000 0.9773447 -0.0000000 -1.8406449 0.0000000 1.5821936 -0.0000000 -1.6977571 30 O -2.4493235 0.4991834 -0.3700403 0.4804191 -2.0054096 0.6382055 -0.3533799 0.4564540 -2.6079300 31 O -2.1207596 -0.3545090 -0.0620076 -0.3078542 -2.3176933 -1.2227671 -0.1187631 -0.8741613 -2.0694192 32 O -2.2960061 -0.2670932 0.8826598 -0.3792539 -2.2019294 1.0658863 0.4793104 0.9302866 -2.2346166 33 O -2.2960061 0.2670932 0.8826598 0.3792539 -2.2019294 -1.0658863 0.4793104 -0.9302866 -2.2346166 34 O -1.7441576 -0.7273097 0.3612979 -0.3201199 -2.7145552 0.8495484 0.0771706 0.4456408 -1.9572233 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 19, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 51, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 55, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 63, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 71, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:57:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:57:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.103399725023149 -2.529895515000000 0.000000000000000 b 6.103399725023149 2.529895515000000 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): 1 Er 0.86725417275457 0.37105760280792 0.03652843428739 167.259 2 Er 0.13274582724543 0.62894239719208 0.96347156571261 167.259 3 Er 0.37105760280792 0.86725417275457 0.53652843428739 167.259 4 Er 0.62894239719208 0.13274582724543 0.46347156571261 167.259 5 Te 0.59227790674933 0.16120883637590 0.12831775301288 127.600 6 Te 0.40439348476772 0.84711119983636 0.20115189569903 127.600 7 Te 0.83879116362410 0.40772209325067 0.37168224698712 127.600 8 Te 0.59560651523228 0.15288880016364 0.79884810430097 127.600 9 Te 0.84711119983636 0.40439348476772 0.70115189569903 127.600 10 Te 0.40772209325067 0.83879116362410 0.87168224698712 127.600 11 Te 0.16120883637590 0.59227790674933 0.62831775301288 127.600 12 Te 0.15288880016364 0.59560651523228 0.29884810430097 127.600 13 O 0.21700766519709 0.08837830490840 0.66911204146520 15.999 14 O 0.31381359369771 0.19036584462287 0.87053998291565 15.999 15 O 0.68618640630229 0.80963415537713 0.12946001708435 15.999 16 O 0.66153030245853 0.75520859846669 0.44758837469372 15.999 17 O 0.91162169509160 0.78299233480291 0.83088795853480 15.999 18 O 0.80963415537713 0.68618640630229 0.62946001708435 15.999 19 O 0.78299233480291 0.91162169509160 0.33088795853480 15.999 20 O 0.17255118914914 0.96163310174332 0.95498381021173 15.999 21 O 0.96163310174332 0.17255118914914 0.45498381021173 15.999 22 O 0.75520859846669 0.66153030245853 0.94758837469372 15.999 23 O 0.24479140153331 0.33846969754147 0.05241162530628 15.999 24 O 0.86488437521300 0.13511562478700 0.75000000000000 15.999 25 O 0.44687367986018 0.59984375625697 0.09544838997424 15.999 26 O 0.19036584462287 0.31381359369771 0.37053998291565 15.999 27 O 0.55312632013982 0.40015624374303 0.90455161002576 15.999 28 O 0.59984375625697 0.44687367986018 0.59544838997424 15.999 29 O 0.13511562478700 0.86488437521300 0.25000000000000 15.999 30 O 0.40015624374303 0.55312632013982 0.40455161002576 15.999 31 O 0.33846969754147 0.24479140153331 0.55241162530628 15.999 32 O 0.03836689825668 0.82744881085086 0.54501618978827 15.999 33 O 0.82744881085086 0.03836689825668 0.04501618978827 15.999 34 O 0.08837830490840 0.21700766519709 0.16911204146520 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.206799450046297 0.000000000000000 0.000000000000000 b 0.000000000000000 10.119582060000001 0.000000000000000 c -4.473376234033119 0.000000000000000 15.237071640642693 Atomic positions (fractional): 1 Er 0.61915588778124 0.37595085751334 0.03652843428739 167.259 > 1 2 Er 0.61915588778124 0.87595085751334 0.03652843428739 167.259 > 1 3 Er 0.38084411221876 0.12404914248666 0.96347156571261 167.259 > 3 4 Er 0.38084411221876 0.62404914248666 0.96347156571261 167.259 > 3 5 Er 0.11915588778124 0.37404914248666 0.53652843428739 167.259 > 5 6 Er 0.11915588778124 0.87404914248666 0.53652843428739 167.259 > 5 7 Er 0.88084411221876 0.12595085751334 0.46347156571261 167.259 > 7 8 Er 0.88084411221876 0.62595085751334 0.46347156571261 167.259 > 7 9 Er 0.11915588778124 0.12595085751334 0.03652843428739 167.259 > 1 10 Er 0.11915588778124 0.62595085751334 0.03652843428739 167.259 > 1 11 Er 0.88084411221876 0.37404914248666 0.96347156571261 167.259 > 3 12 Er 0.88084411221876 0.87404914248666 0.96347156571261 167.259 > 3 13 Er 0.61915588778124 0.12404914248666 0.53652843428739 167.259 > 5 14 Er 0.61915588778124 0.62404914248666 0.53652843428739 167.259 > 5 15 Er 0.38084411221876 0.37595085751334 0.46347156571261 167.259 > 7 16 Er 0.38084411221876 0.87595085751334 0.46347156571261 167.259 > 7 17 Te 0.87674337156261 0.14223273240664 0.12831775301288 127.600 > 17 18 Te 0.87674337156261 0.64223273240664 0.12831775301288 127.600 > 17 19 Te 0.62575234230204 0.11067942876716 0.20115189569903 127.600 > 19 20 Te 0.62575234230204 0.61067942876716 0.20115189569903 127.600 > 19 21 Te 0.12325662843738 0.14223273240664 0.37168224698712 127.600 > 21 22 Te 0.12325662843738 0.64223273240664 0.37168224698712 127.600 > 21 23 Te 0.37424765769796 0.38932057123284 0.79884810430097 127.600 > 23 24 Te 0.37424765769796 0.88932057123284 0.79884810430097 127.600 > 23 25 Te 0.12575234230204 0.13932057123284 0.70115189569903 127.600 > 25 26 Te 0.12575234230204 0.63932057123284 0.70115189569903 127.600 > 25 27 Te 0.12325662843738 0.35776726759336 0.87168224698712 127.600 > 27 28 Te 0.12325662843738 0.85776726759336 0.87168224698712 127.600 > 27 29 Te 0.87674337156261 0.35776726759336 0.62831775301288 127.600 > 29 30 Te 0.87674337156261 0.85776726759336 0.62831775301288 127.600 > 29 31 Te 0.87424765769796 0.36067942876716 0.29884810430097 127.600 > 31 32 Te 0.87424765769796 0.86067942876716 0.29884810430097 127.600 > 31 33 Te 0.37674337156261 0.39223273240664 0.12831775301288 127.600 > 17 34 Te 0.37674337156261 0.89223273240664 0.12831775301288 127.600 > 17 35 Te 0.12575234230204 0.36067942876716 0.20115189569903 127.600 > 19 36 Te 0.12575234230204 0.86067942876716 0.20115189569903 127.600 > 19 37 Te 0.62325662843739 0.39223273240664 0.37168224698712 127.600 > 21 38 Te 0.62325662843739 0.89223273240664 0.37168224698712 127.600 > 21 39 Te 0.87424765769796 0.13932057123284 0.79884810430097 127.600 > 23 40 Te 0.87424765769796 0.63932057123284 0.79884810430097 127.600 > 23 41 Te 0.62575234230204 0.38932057123284 0.70115189569903 127.600 > 25 42 Te 0.62575234230204 0.88932057123284 0.70115189569903 127.600 > 25 43 Te 0.62325662843739 0.10776726759336 0.87168224698712 127.600 > 27 44 Te 0.62325662843739 0.60776726759336 0.87168224698712 127.600 > 27 45 Te 0.37674337156261 0.10776726759336 0.62831775301288 127.600 > 29 46 Te 0.37674337156261 0.60776726759336 0.62831775301288 127.600 > 29 47 Te 0.37424765769796 0.11067942876716 0.29884810430097 127.600 > 31 48 Te 0.37424765769796 0.61067942876716 0.29884810430097 127.600 > 31 49 O 0.15269298505275 0.46784265992783 0.66911204146520 15.999 > 49 50 O 0.15269298505275 0.96784265992783 0.66911204146520 15.999 > 49 51 O 0.25208971916029 0.46913806273129 0.87053998291565 15.999 > 51 52 O 0.25208971916029 0.96913806273129 0.87053998291565 15.999 > 51 53 O 0.74791028083971 0.03086193726871 0.12946001708435 15.999 > 53 54 O 0.74791028083971 0.53086193726871 0.12946001708435 15.999 > 53 55 O 0.20836945046261 0.27341957400204 0.44758837469372 15.999 > 55 56 O 0.20836945046261 0.77341957400204 0.44758837469372 15.999 > 55 57 O 0.34730701494725 0.21784265992783 0.83088795853480 15.999 > 57 58 O 0.34730701494725 0.71784265992783 0.83088795853480 15.999 > 57 59 O 0.24791028083971 0.21913806273129 0.62946001708435 15.999 > 59 60 O 0.24791028083971 0.71913806273129 0.62946001708435 15.999 > 59 61 O 0.84730701494725 0.03215734007217 0.33088795853480 15.999 > 61 62 O 0.84730701494725 0.53215734007217 0.33088795853480 15.999 > 61 63 O 0.06709214544623 0.44727047814854 0.95498381021173 15.999 > 63 64 O 0.06709214544623 0.94727047814854 0.95498381021173 15.999 > 63 65 O 0.06709214544623 0.05272952185146 0.45498381021173 15.999 > 65 66 O 0.06709214544623 0.55272952185146 0.45498381021173 15.999 > 65 67 O 0.20836945046261 0.22658042599796 0.94758837469372 15.999 > 67 68 O 0.20836945046261 0.72658042599796 0.94758837469372 15.999 > 67 69 O 0.79163054953739 0.27341957400204 0.05241162530628 15.999 > 69 70 O 0.79163054953739 0.77341957400204 0.05241162530628 15.999 > 69 71 O 0.00000000000000 0.06755781239350 0.75000000000000 15.999 > 71 72 O 0.00000000000000 0.56755781239350 0.75000000000000 15.999 > 71 73 O 0.02335871805858 0.28824251909920 0.09544838997424 15.999 > 73 74 O 0.02335871805858 0.78824251909920 0.09544838997424 15.999 > 73 75 O 0.75208971916029 0.28086193726871 0.37053998291565 15.999 > 75 76 O 0.75208971916029 0.78086193726871 0.37053998291565 15.999 > 75 77 O 0.97664128194142 0.21175748090080 0.90455161002576 15.999 > 77 78 O 0.97664128194142 0.71175748090080 0.90455161002576 15.999 > 77 79 O 0.02335871805858 0.21175748090080 0.59544838997424 15.999 > 79 80 O 0.02335871805858 0.71175748090080 0.59544838997424 15.999 > 79 81 O 0.00000000000000 0.43244218760650 0.25000000000000 15.999 > 81 82 O 0.00000000000000 0.93244218760650 0.25000000000000 15.999 > 81 83 O 0.97664128194142 0.28824251909920 0.40455161002576 15.999 > 83 84 O 0.97664128194142 0.78824251909920 0.40455161002576 15.999 > 83 85 O 0.79163054953739 0.22658042599796 0.55241162530628 15.999 > 85 86 O 0.79163054953739 0.72658042599796 0.55241162530628 15.999 > 85 87 O 0.93290785455377 0.44727047814854 0.54501618978827 15.999 > 87 88 O 0.93290785455377 0.94727047814854 0.54501618978827 15.999 > 87 89 O 0.93290785455377 0.05272952185146 0.04501618978827 15.999 > 89 90 O 0.93290785455377 0.55272952185146 0.04501618978827 15.999 > 89 91 O 0.65269298505275 0.28215734007217 0.16911204146520 15.999 > 91 92 O 0.65269298505275 0.78215734007217 0.16911204146520 15.999 > 91 93 O 0.65269298505275 0.21784265992783 0.66911204146520 15.999 > 49 94 O 0.65269298505275 0.71784265992783 0.66911204146520 15.999 > 49 95 O 0.75208971916029 0.21913806273129 0.87053998291565 15.999 > 51 96 O 0.75208971916029 0.71913806273129 0.87053998291565 15.999 > 51 97 O 0.24791028083971 0.28086193726871 0.12946001708435 15.999 > 53 98 O 0.24791028083971 0.78086193726871 0.12946001708435 15.999 > 53 99 O 0.70836945046261 0.02341957400204 0.44758837469372 15.999 > 55 100 O 0.70836945046261 0.52341957400204 0.44758837469372 15.999 > 55 101 O 0.84730701494725 0.46784265992783 0.83088795853480 15.999 > 57 102 O 0.84730701494725 0.96784265992783 0.83088795853480 15.999 > 57 103 O 0.74791028083971 0.46913806273129 0.62946001708435 15.999 > 59 104 O 0.74791028083971 0.96913806273129 0.62946001708435 15.999 > 59 105 O 0.34730701494725 0.28215734007217 0.33088795853480 15.999 > 61 106 O 0.34730701494725 0.78215734007217 0.33088795853480 15.999 > 61 107 O 0.56709214544623 0.19727047814854 0.95498381021173 15.999 > 63 108 O 0.56709214544623 0.69727047814854 0.95498381021173 15.999 > 63 109 O 0.56709214544623 0.30272952185146 0.45498381021173 15.999 > 65 110 O 0.56709214544623 0.80272952185146 0.45498381021173 15.999 > 65 111 O 0.70836945046261 0.47658042599796 0.94758837469372 15.999 > 67 112 O 0.70836945046261 0.97658042599796 0.94758837469372 15.999 > 67 113 O 0.29163054953739 0.02341957400204 0.05241162530628 15.999 > 69 114 O 0.29163054953739 0.52341957400204 0.05241162530628 15.999 > 69 115 O 0.50000000000000 0.31755781239350 0.75000000000000 15.999 > 71 116 O 0.50000000000000 0.81755781239350 0.75000000000000 15.999 > 71 117 O 0.52335871805858 0.03824251909920 0.09544838997424 15.999 > 73 118 O 0.52335871805858 0.53824251909920 0.09544838997424 15.999 > 73 119 O 0.25208971916029 0.03086193726871 0.37053998291565 15.999 > 75 120 O 0.25208971916029 0.53086193726871 0.37053998291565 15.999 > 75 121 O 0.47664128194142 0.46175748090080 0.90455161002576 15.999 > 77 122 O 0.47664128194142 0.96175748090080 0.90455161002576 15.999 > 77 123 O 0.52335871805858 0.46175748090080 0.59544838997424 15.999 > 79 124 O 0.52335871805858 0.96175748090080 0.59544838997424 15.999 > 79 125 O 0.50000000000000 0.18244218760650 0.25000000000000 15.999 > 81 126 O 0.50000000000000 0.68244218760650 0.25000000000000 15.999 > 81 127 O 0.47664128194142 0.03824251909920 0.40455161002576 15.999 > 83 128 O 0.47664128194142 0.53824251909920 0.40455161002576 15.999 > 83 129 O 0.29163054953739 0.47658042599796 0.55241162530628 15.999 > 85 130 O 0.29163054953739 0.97658042599796 0.55241162530628 15.999 > 85 131 O 0.43290785455377 0.19727047814854 0.54501618978827 15.999 > 87 132 O 0.43290785455377 0.69727047814854 0.54501618978827 15.999 > 87 133 O 0.43290785455377 0.30272952185146 0.04501618978827 15.999 > 89 134 O 0.43290785455377 0.80272952185146 0.04501618978827 15.999 > 89 135 O 0.15269298505275 0.03215734007217 0.16911204146520 15.999 > 91 136 O 0.15269298505275 0.53215734007217 0.16911204146520 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5764428 0.0000000 -0.5372465 0.0000000 4.9969362 0.0000000 -0.5372421 0.0000000 4.7246986 -------------------------- Born effective charges -------------------------- 1 Er 3.9598091 -0.1418277 -0.4243273 0.0109761 4.4329927 -0.2209724 -0.2510647 0.1063395 4.6555999 2 Er 3.9598091 -0.1418277 -0.4243273 0.0109761 4.4329927 -0.2209724 -0.2510647 0.1063395 4.6555999 3 Er 3.9598091 0.1418277 -0.4243273 -0.0109761 4.4329927 0.2209724 -0.2510647 -0.1063395 4.6555999 4 Er 3.9598091 0.1418277 -0.4243273 -0.0109761 4.4329927 0.2209724 -0.2510647 -0.1063395 4.6555999 5 Te 4.9543310 1.0367172 -0.3334634 0.5311928 4.1437451 -0.6410370 -0.3811487 -0.6359696 3.0481868 6 Te 5.8733766 -0.8140416 -0.9680177 -0.1978799 3.5785206 0.6689571 -1.0136450 0.9423358 3.6965291 7 Te 4.9543310 -1.0367172 -0.3334634 -0.5311928 4.1437451 0.6410370 -0.3811487 0.6359696 3.0481868 8 Te 5.8733766 -0.8140416 -0.9680177 -0.1978799 3.5785206 0.6689571 -1.0136450 0.9423358 3.6965291 9 Te 5.8733766 0.8140416 -0.9680177 0.1978799 3.5785206 -0.6689571 -1.0136450 -0.9423358 3.6965291 10 Te 4.9543310 1.0367172 -0.3334634 0.5311928 4.1437451 -0.6410370 -0.3811487 -0.6359696 3.0481868 11 Te 4.9543310 -1.0367172 -0.3334634 -0.5311928 4.1437451 0.6410370 -0.3811487 0.6359696 3.0481868 12 Te 5.8733766 0.8140416 -0.9680177 0.1978799 3.5785206 -0.6689571 -1.0136450 -0.9423358 3.6965291 13 O -1.7441576 0.7273097 0.3612979 0.3201199 -2.7145552 -0.8495484 0.0771706 -0.4456408 -1.9572233 14 O -3.9043577 -0.7260124 0.4252261 -0.9594628 -1.9953485 -0.2825896 0.7704237 -0.0108673 -1.6822481 15 O -3.9043577 -0.7260124 0.4252261 -0.9594628 -1.9953485 -0.2825896 0.7704237 -0.0108673 -1.6822481 16 O -2.1207596 -0.3545090 -0.0620076 -0.3078542 -2.3176933 -1.2227671 -0.1187631 -0.8741613 -2.0694192 17 O -1.7441576 -0.7273097 0.3612979 -0.3201199 -2.7145552 0.8495484 0.0771706 0.4456408 -1.9572233 18 O -3.9043577 0.7260124 0.4252261 0.9594628 -1.9953485 0.2825896 0.7704237 0.0108673 -1.6822481 19 O -1.7441576 0.7273097 0.3612979 0.3201199 -2.7145552 -0.8495484 0.0771706 -0.4456408 -1.9572233 20 O -2.2960061 0.2670932 0.8826598 0.3792539 -2.2019294 -1.0658863 0.4793104 -0.9302866 -2.2346166 21 O -2.2960061 -0.2670932 0.8826598 -0.3792539 -2.2019294 1.0658863 0.4793104 0.9302866 -2.2346166 22 O -2.1207596 0.3545090 -0.0620076 0.3078542 -2.3176933 1.2227671 -0.1187631 0.8741613 -2.0694192 23 O -2.1207596 0.3545090 -0.0620076 0.3078542 -2.3176933 1.2227671 -0.1187631 0.8741613 -2.0694192 24 O -4.5458246 -0.0000000 0.9773447 -0.0000000 -1.8406449 0.0000000 1.5821936 -0.0000000 -1.6977571 25 O -2.4493235 -0.4991834 -0.3700403 -0.4804191 -2.0054096 -0.6382055 -0.3533799 -0.4564540 -2.6079300 26 O -3.9043577 0.7260124 0.4252261 0.9594628 -1.9953485 0.2825896 0.7704237 0.0108673 -1.6822481 27 O -2.4493235 -0.4991834 -0.3700403 -0.4804191 -2.0054096 -0.6382055 -0.3533799 -0.4564540 -2.6079300 28 O -2.4493235 0.4991834 -0.3700403 0.4804191 -2.0054096 0.6382055 -0.3533799 0.4564540 -2.6079300 29 O -4.5458246 -0.0000000 0.9773447 -0.0000000 -1.8406449 0.0000000 1.5821936 -0.0000000 -1.6977571 30 O -2.4493235 0.4991834 -0.3700403 0.4804191 -2.0054096 0.6382055 -0.3533799 0.4564540 -2.6079300 31 O -2.1207596 -0.3545090 -0.0620076 -0.3078542 -2.3176933 -1.2227671 -0.1187631 -0.8741613 -2.0694192 32 O -2.2960061 -0.2670932 0.8826598 -0.3792539 -2.2019294 1.0658863 0.4793104 0.9302866 -2.2346166 33 O -2.2960061 0.2670932 0.8826598 0.3792539 -2.2019294 -1.0658863 0.4793104 -0.9302866 -2.2346166 34 O -1.7441576 -0.7273097 0.3612979 -0.3201199 -2.7145552 0.8495484 0.0771706 0.4456408 -1.9572233 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 3 ] 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: 0.53, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.618 ( 0.000 0.000 0.000) 0.000 10.745 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.929 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.443 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 12.524 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 13.218 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 0.000) 0.000 15.736 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.270 ( 0.000 0.000 0.000) 0.000 17.450 ( 0.000 0.000 0.000) 0.000 17.868 ( 0.000 0.000 0.000) 0.000 19.130 ( 0.000 0.000 0.000) 0.000 19.534 ( 0.000 0.000 0.000) 0.000 19.602 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 20.011 ( 0.000 0.000 0.000) 0.000 20.119 ( 0.000 0.000 0.000) 0.000 20.781 ( 0.000 0.000 0.000) 0.000 20.811 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.857 ( 0.000 0.000 0.000) 0.000 21.879 ( 0.000 0.000 0.000) 0.000 22.337 ( 0.000 0.000 0.000) 0.000 22.419 ( 0.000 0.000 0.000) 0.000 22.922 ( 0.000 0.000 0.000) 0.000 23.112 ( 0.000 0.000 0.000) 0.000 23.147 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 13.780 -16.373 0.856) 21.418 0.575 ( 7.005 -27.188 7.567) 29.078 0.816 ( 22.273 -34.867 -3.419) 41.514 1.258 ( 4.484 -9.913 -10.433) 15.074 1.266 ( -2.150 -5.263 3.677) 6.770 1.723 ( 3.118 5.677 -2.325) 6.882 1.789 ( 7.655 -3.643 10.199) 13.262 2.157 ( 12.070 7.730 -7.704) 16.272 2.483 ( 2.406 -12.448 -2.438) 12.910 2.604 ( 1.750 -10.475 -0.597) 10.637 2.681 ( 1.874 -4.538 2.160) 5.363 2.800 ( -1.465 5.781 -1.646) 6.186 2.922 ( 2.442 -0.767 0.174) 2.565 3.107 ( -3.465 3.797 0.349) 5.152 3.266 ( 10.512 -1.301 -5.919) 12.134 3.364 ( 0.550 2.632 -0.530) 2.741 3.419 ( -2.081 2.269 0.407) 3.105 3.486 ( -3.400 -1.240 3.346) 4.929 3.527 ( 2.717 -1.395 -1.113) 3.251 3.699 ( 0.651 -2.015 -1.552) 2.625 3.867 ( -1.541 0.868 -2.961) 3.449 3.900 ( -1.348 3.219 2.810) 4.480 3.978 ( -6.851 -4.989 -0.955) 8.529 4.074 ( -5.680 -4.399 -0.037) 7.184 4.245 ( -2.958 2.292 3.273) 4.971 4.479 ( -1.306 5.966 4.118) 7.365 4.513 ( 9.329 10.318 -6.969) 15.558 4.682 ( 0.898 3.873 -2.506) 4.699 4.705 ( 3.808 4.730 -0.736) 6.116 4.797 ( 2.917 5.000 0.012) 5.789 4.875 ( -5.154 -0.078 1.085) 5.268 5.031 ( -2.120 -0.083 -2.452) 3.242 5.117 ( 0.485 -3.757 1.241) 3.986 5.175 ( 0.681 -3.939 -1.752) 4.364 5.266 ( -6.041 -0.672 0.008) 6.078 5.370 ( 1.933 -2.547 -6.578) 7.313 5.472 ( -5.664 -0.635 -2.123) 6.082 5.645 ( -7.619 1.459 1.099) 7.835 5.743 ( -2.414 -1.954 3.287) 4.522 5.866 ( 13.015 7.455 -3.658) 15.438 6.002 ( 17.178 4.433 5.071) 18.451 6.041 ( 9.440 -1.659 -1.485) 9.699 6.172 ( -1.642 -0.423 -1.340) 2.162 6.415 ( 11.594 2.863 1.274) 12.010 6.707 ( 1.217 1.492 2.014) 2.786 6.853 ( -1.097 0.240 -3.371) 3.553 7.067 ( -0.544 1.034 3.652) 3.834 7.140 ( 3.783 -1.067 -1.267) 4.130 7.431 ( -4.921 -6.948 0.828) 8.554 7.814 ( 22.828 9.767 -6.241) 25.602 7.842 ( 11.651 3.489 -2.225) 12.364 8.150 ( 2.299 -1.694 -13.435) 13.735 8.266 ( 4.024 5.938 20.041) 21.286 8.417 ( -4.126 8.317 8.230) 12.407 8.672 ( 6.459 2.664 -7.417) 10.189 8.975 ( 0.877 -5.237 4.799) 7.157 9.060 ( -5.187 0.713 -0.570) 5.266 9.182 ( 0.054 4.522 -2.879) 5.361 9.346 ( 7.004 -5.462 -3.906) 9.702 9.649 ( 25.775 9.425 -17.493) 32.545 9.838 ( 1.483 -1.386 4.453) 4.894 9.911 ( 7.844 4.285 -3.500) 9.599 10.553 ( 0.587 6.131 0.372) 6.171 10.717 ( -2.868 2.292 -1.676) 4.036 10.816 ( -1.225 6.844 1.239) 7.062 10.910 ( -12.131 -0.411 8.455) 14.793 11.016 ( 5.526 3.405 -6.220) 8.990 11.098 ( -6.725 -3.026 -2.989) 7.957 11.235 ( 6.909 -5.314 2.131) 8.973 11.451 ( 2.707 0.583 0.683) 2.852 11.588 ( 8.926 -1.494 1.225) 9.133 11.680 ( -3.212 -3.533 -12.729) 13.595 12.506 ( -3.252 1.780 5.038) 6.255 12.565 ( 1.844 1.309 -0.661) 2.356 12.606 ( 14.425 5.526 2.411) 15.634 12.708 ( 2.528 6.283 0.333) 6.780 13.203 ( -0.371 1.191 -0.137) 1.255 13.234 ( -0.560 -0.962 0.202) 1.132 14.058 ( -0.066 3.262 0.210) 3.270 14.220 ( -6.672 1.049 0.222) 6.757 15.819 ( 21.894 6.728 -14.835) 27.289 16.100 ( 2.493 1.127 4.224) 5.032 17.239 ( -0.024 -4.703 2.518) 5.335 17.485 ( 1.907 -3.127 -1.235) 3.865 17.778 ( -14.912 0.484 -0.971) 14.951 18.288 ( 22.836 4.590 -5.861) 24.019 19.125 ( -1.837 3.957 8.069) 9.173 19.429 ( 11.558 13.781 1.824) 18.078 19.538 ( -1.655 12.691 -1.155) 12.850 19.708 ( 4.035 10.119 0.805) 10.923 20.124 ( -18.996 -15.551 3.269) 24.766 20.607 ( 0.685 9.521 1.719) 9.699 20.807 ( 19.658 -1.358 -10.277) 22.223 20.870 ( 2.041 -6.143 0.144) 6.474 21.702 ( 0.525 -7.133 3.857) 8.126 21.893 ( 0.709 -3.233 -0.441) 3.339 22.344 ( 0.372 -0.632 -0.336) 0.806 22.431 ( 0.079 -1.112 0.324) 1.161 22.854 ( -3.803 -0.892 0.373) 3.924 23.115 ( -1.410 -0.963 -0.655) 1.829 23.175 ( -1.337 -3.335 0.527) 3.631 23.513 ( -32.500 -13.780 -8.935) 36.414 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 12.921 -17.762 0.887) 21.982 1.084 ( 4.353 -18.684 7.802) 20.710 1.205 ( 5.043 -1.001 0.404) 5.157 1.545 ( 9.241 -20.353 -3.776) 22.670 1.602 ( 12.381 -23.291 -4.690) 26.791 1.751 ( 7.184 -6.615 -9.947) 13.940 1.962 ( 10.623 -4.996 13.978) 18.254 2.144 ( 9.457 0.783 -4.357) 10.442 2.666 ( -1.963 -4.223 -3.640) 5.911 2.763 ( 2.444 -4.431 -3.350) 6.069 2.794 ( 4.085 -7.531 1.381) 8.678 2.812 ( -0.608 -7.349 7.222) 10.321 2.949 ( -1.306 4.503 -0.068) 4.689 3.022 ( 4.285 -1.094 -0.770) 4.489 3.269 ( -2.788 1.120 -0.690) 3.082 3.353 ( -1.014 -0.656 -1.992) 2.330 3.379 ( 1.100 1.402 -0.997) 2.042 3.472 ( -3.281 1.481 3.888) 5.298 3.565 ( 3.386 0.205 -1.003) 3.538 3.715 ( -3.131 -0.952 -4.520) 5.580 3.819 ( -2.143 2.155 0.738) 3.127 3.860 ( -1.299 1.144 1.518) 2.302 3.990 ( -2.656 -1.647 -0.871) 3.245 4.085 ( -9.645 -2.380 -0.200) 9.936 4.149 ( -4.380 6.258 4.670) 8.953 4.323 ( -2.234 6.977 0.589) 7.349 4.443 ( 5.155 6.788 0.521) 8.539 4.578 ( 5.805 4.605 -4.347) 8.591 4.691 ( 2.891 0.314 -0.843) 3.028 4.758 ( 4.959 2.709 1.580) 5.867 4.820 ( -8.698 -0.423 -0.440) 8.720 5.023 ( 0.815 0.613 -0.842) 1.322 5.182 ( -6.665 0.623 2.737) 7.232 5.195 ( 0.408 -2.607 -1.285) 2.935 5.260 ( 1.636 -2.617 -1.913) 3.631 5.394 ( -6.330 -1.328 0.339) 6.477 5.488 ( 2.653 -2.607 -5.826) 6.912 5.558 ( -7.566 0.002 0.121) 7.567 5.744 ( -5.175 -0.211 4.920) 7.144 5.831 ( 4.543 2.539 0.401) 5.220 6.076 ( 2.365 -1.348 -0.410) 2.753 6.129 ( 12.556 -0.203 1.748) 12.679 6.199 ( 0.668 -4.254 -1.292) 4.496 6.449 ( 10.107 2.843 0.996) 10.547 6.661 ( -4.646 2.628 3.840) 6.576 6.850 ( 4.469 -0.393 -5.564) 7.147 7.084 ( 2.696 -1.097 3.155) 4.292 7.189 ( 9.582 2.536 0.201) 9.914 7.495 ( 6.330 0.507 -0.180) 6.353 7.710 ( 12.466 11.990 -3.682) 17.683 7.937 ( 8.339 -2.702 0.102) 8.766 8.156 ( 0.630 0.389 -8.270) 8.303 8.248 ( -2.659 4.866 4.649) 7.236 8.278 ( 2.779 2.164 8.188) 8.913 8.616 ( 1.778 4.535 -7.147) 8.649 8.936 ( -7.808 5.269 1.476) 9.535 9.086 ( -2.973 -4.510 2.826) 6.096 9.165 ( 4.517 0.175 -1.099) 4.652 9.463 ( 2.779 -3.619 -1.529) 4.813 9.603 ( 2.156 4.492 -3.548) 6.117 9.863 ( 4.732 3.585 3.496) 6.890 9.926 ( 7.049 -1.450 -4.548) 8.513 10.452 ( -0.332 5.398 -0.139) 5.410 10.592 ( -1.689 5.897 0.717) 6.175 10.733 ( -0.211 1.643 0.573) 1.752 10.876 ( -8.066 -1.715 5.339) 9.824 10.995 ( 0.023 0.564 -2.931) 2.984 11.088 ( -1.291 -0.806 -3.837) 4.128 11.334 ( 5.535 -0.386 0.437) 5.565 11.465 ( 4.532 1.198 0.683) 4.737 11.642 ( 2.472 0.573 0.156) 2.542 11.732 ( 5.925 -1.576 -0.103) 6.132 12.447 ( -1.324 3.583 2.710) 4.683 12.528 ( -1.595 3.655 -2.372) 4.640 12.601 ( 6.073 6.985 0.488) 9.268 12.636 ( 4.911 0.060 0.192) 4.915 13.182 ( -0.760 0.333 -0.191) 0.852 13.249 ( -1.386 -1.467 0.107) 2.021 13.969 ( -0.259 6.510 0.465) 6.531 14.124 ( -5.701 4.319 0.204) 7.155 15.832 ( 9.997 2.521 -6.301) 12.083 16.095 ( 1.844 2.511 4.554) 5.518 17.348 ( -4.337 -7.403 2.907) 9.059 17.577 ( 2.466 -5.331 -1.754) 6.130 17.698 ( -7.265 -2.314 -1.955) 7.871 18.316 ( 18.483 8.453 -3.140) 20.566 19.013 ( -7.124 6.712 2.709) 10.156 19.213 ( 3.377 17.986 -1.377) 18.352 19.313 ( 8.294 10.521 4.413) 14.105 19.536 ( 3.533 10.860 -2.876) 11.777 20.224 ( -13.255 -6.703 1.731) 14.954 20.366 ( -10.475 10.515 1.218) 14.892 20.959 ( 10.175 -2.978 -0.554) 10.616 21.110 ( 12.289 -13.176 -3.962) 18.448 21.874 ( 1.148 -9.398 4.330) 10.411 21.965 ( 0.889 -4.192 -1.583) 4.568 22.350 ( 0.056 0.476 -1.097) 1.197 22.468 ( 0.408 -3.104 1.038) 3.299 22.828 ( -3.987 0.770 0.758) 4.130 23.121 ( -2.369 -1.430 -1.770) 3.285 23.232 ( -3.052 -4.185 1.522) 5.399 23.494 ( -16.761 -6.001 -3.390) 18.123 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 9.345 -12.559 0.910) 15.681 1.217 ( 8.333 -8.855 0.420) 12.167 1.539 ( 7.419 -13.963 4.772) 16.516 1.721 ( 2.190 -6.590 -5.715) 8.994 1.967 ( 7.693 -11.676 -4.532) 14.699 2.133 ( 6.741 -15.111 -1.970) 16.663 2.195 ( 9.902 -9.455 8.876) 16.317 2.298 ( 13.422 -12.519 -4.474) 18.892 2.676 ( -1.343 8.728 1.130) 8.903 2.706 ( 0.100 -0.770 -0.742) 1.074 2.883 ( -0.677 0.768 2.566) 2.763 2.934 ( -3.089 -4.530 4.060) 6.822 3.028 ( 8.101 -9.076 -5.723) 13.444 3.079 ( 2.849 -0.044 1.403) 3.176 3.251 ( -3.978 -1.897 -2.228) 4.938 3.344 ( -6.407 -2.377 0.392) 6.845 3.367 ( -2.022 0.624 -1.230) 2.447 3.402 ( -1.142 3.187 2.548) 4.237 3.548 ( 1.665 3.255 -0.790) 3.740 3.680 ( -3.546 1.327 -3.302) 5.023 3.774 ( -2.041 1.856 2.094) 3.463 3.833 ( -2.935 -0.524 -1.347) 3.272 3.981 ( -3.582 3.371 5.711) 7.538 4.005 ( -5.213 2.506 0.590) 5.814 4.078 ( 0.090 -2.083 -0.015) 2.085 4.219 ( 1.040 4.059 -1.727) 4.532 4.335 ( -1.492 4.221 -1.287) 4.658 4.592 ( 5.633 1.545 -1.034) 5.932 4.691 ( 4.661 2.987 1.276) 5.681 4.766 ( -0.379 -0.281 -1.775) 1.836 4.813 ( -2.101 -4.364 1.254) 5.003 5.009 ( 3.305 2.401 -0.977) 4.200 5.122 ( -12.350 -1.331 4.738) 13.295 5.222 ( 0.313 -0.994 -1.760) 2.046 5.266 ( -4.581 0.441 -2.874) 5.426 5.379 ( -2.112 -0.319 -2.037) 2.952 5.515 ( -0.697 -4.045 0.491) 4.134 5.604 ( 1.754 -3.927 -2.204) 4.832 5.699 ( -5.381 1.117 2.694) 6.121 5.851 ( 2.705 -1.447 0.330) 3.086 6.071 ( -1.490 1.236 1.679) 2.562 6.253 ( 4.351 -3.451 2.101) 5.938 6.314 ( 10.528 -4.722 -0.933) 11.576 6.462 ( 7.454 3.173 -0.288) 8.107 6.601 ( -1.932 0.399 1.034) 2.227 6.901 ( 7.294 -1.037 -3.159) 8.016 7.138 ( 1.278 0.193 1.247) 1.796 7.190 ( 11.948 3.576 2.203) 12.665 7.498 ( 11.289 6.847 -2.725) 13.481 7.592 ( 1.857 5.639 -0.289) 5.944 8.034 ( 11.306 0.643 -0.810) 11.353 8.093 ( -2.997 2.788 -1.854) 4.494 8.177 ( -0.541 1.107 2.020) 2.366 8.315 ( 4.145 0.917 3.110) 5.262 8.522 ( 0.378 5.250 -4.888) 7.184 8.797 ( -7.866 3.182 1.546) 8.625 9.091 ( -2.194 1.906 -0.638) 2.975 9.188 ( -3.921 -2.064 0.989) 4.540 9.503 ( -5.866 5.040 2.189) 8.037 9.524 ( 3.331 -1.549 -2.119) 4.241 9.803 ( 0.447 5.972 0.630) 6.021 9.979 ( 4.515 0.579 -3.024) 5.465 10.360 ( -1.946 1.899 1.212) 2.977 10.588 ( 6.125 -2.001 -0.225) 6.447 10.739 ( -0.838 -2.829 0.669) 3.026 10.863 ( -4.415 -1.290 0.288) 4.609 10.982 ( -1.265 -0.237 -0.154) 1.296 11.104 ( 3.582 -0.655 -1.402) 3.902 11.363 ( 5.192 0.920 -0.198) 5.277 11.464 ( 5.237 3.291 0.290) 6.192 11.628 ( 2.579 3.423 0.989) 4.399 11.764 ( 0.974 1.407 0.703) 1.850 12.368 ( 0.711 5.338 0.568) 5.415 12.405 ( -2.923 6.162 0.368) 6.830 12.575 ( 4.820 1.048 -1.505) 5.157 12.673 ( 2.880 -0.490 0.478) 2.960 13.189 ( -0.161 -1.740 0.066) 1.748 13.270 ( -1.650 -2.404 -0.282) 2.930 13.828 ( -1.034 8.505 0.876) 8.612 13.992 ( -5.501 5.461 -0.261) 7.756 15.847 ( 5.712 1.260 -3.391) 6.761 16.059 ( -0.132 2.975 3.137) 4.326 17.412 ( -8.147 -4.255 1.558) 9.322 17.696 ( 2.124 -6.323 -2.436) 7.102 17.763 ( 1.317 -6.833 -0.121) 6.959 18.262 ( 13.319 9.587 0.177) 16.412 18.753 ( -6.273 14.867 -1.238) 16.184 19.006 ( 3.043 7.693 1.234) 8.364 19.222 ( 5.392 7.520 2.985) 9.723 19.381 ( 3.431 7.769 -3.289) 9.107 20.046 ( -6.519 12.713 0.415) 14.293 20.260 ( -10.734 -2.784 0.554) 11.102 21.075 ( 5.605 -3.322 0.382) 6.526 21.421 ( 10.065 -11.849 -1.639) 15.633 22.026 ( 0.867 -4.678 -0.967) 4.855 22.063 ( 1.188 -6.324 2.043) 6.751 22.318 ( -0.745 2.227 -0.627) 2.431 22.559 ( 0.761 -6.088 1.536) 6.324 22.773 ( -3.517 2.200 0.287) 4.158 23.115 ( -2.850 -0.216 -2.043) 3.513 23.278 ( -3.566 -3.355 1.441) 5.104 23.464 ( -11.130 -2.782 -1.327) 11.549 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 6.612 -13.960 -1.425) 15.512 1.482 ( 8.747 -6.252 -2.816) 11.114 1.728 ( 5.342 -7.286 -1.102) 9.102 1.933 ( 4.631 -10.298 3.517) 11.827 2.206 ( 2.437 -11.248 -0.613) 11.525 2.288 ( 0.781 -2.227 4.174) 4.795 2.421 ( 3.061 -0.162 -1.354) 3.351 2.545 ( 5.364 -1.577 3.064) 6.375 2.601 ( 7.593 -6.750 -1.754) 10.310 2.734 ( 3.605 -0.189 -5.232) 6.357 2.842 ( -1.399 1.951 2.491) 3.460 2.943 ( -3.694 -0.047 1.671) 4.054 3.077 ( -4.826 -1.059 1.831) 5.269 3.197 ( 2.727 -3.986 -4.450) 6.567 3.220 ( -0.488 1.054 0.304) 1.201 3.312 ( -3.505 2.792 -0.410) 4.500 3.372 ( -0.633 2.806 1.561) 3.273 3.378 ( -3.510 -4.494 -0.128) 5.704 3.508 ( 3.145 0.910 0.548) 3.320 3.620 ( -2.460 0.007 -2.920) 3.818 3.725 ( -0.885 2.854 2.129) 3.669 3.838 ( -1.500 -1.347 -2.011) 2.847 3.883 ( -2.264 3.802 4.740) 6.485 3.983 ( -4.107 -2.422 -0.401) 4.785 4.131 ( 1.883 -0.416 0.233) 1.943 4.203 ( 5.772 -0.929 -1.839) 6.129 4.294 ( -2.385 -1.339 -3.746) 4.638 4.542 ( -2.019 4.990 1.013) 5.477 4.659 ( -0.440 2.982 3.866) 4.902 4.802 ( 3.668 -2.626 -1.504) 4.755 4.879 ( -0.297 -3.008 1.459) 3.356 4.968 ( 2.009 3.950 1.558) 4.697 5.094 ( -7.770 -3.010 -2.632) 8.738 5.187 ( -7.213 1.353 -1.974) 7.600 5.245 ( 0.639 -0.688 1.339) 1.635 5.394 ( 1.425 -2.082 -0.549) 2.582 5.562 ( -3.531 -0.503 2.091) 4.134 5.643 ( -0.559 -1.137 -2.363) 2.682 5.705 ( 0.723 -3.632 0.017) 3.704 5.900 ( 1.203 -1.172 -2.563) 3.064 6.022 ( -2.703 2.514 4.823) 6.074 6.321 ( 1.124 -2.064 0.809) 2.486 6.461 ( 10.848 0.285 -1.844) 11.008 6.488 ( 4.372 -3.874 0.045) 5.841 6.665 ( 6.975 -5.756 -0.487) 9.056 6.950 ( 3.587 1.849 -0.761) 4.107 7.081 ( 4.112 4.301 -0.063) 5.951 7.279 ( 4.785 -2.064 5.601) 7.650 7.409 ( 6.720 7.674 -5.389) 11.536 7.538 ( 1.998 3.105 1.040) 3.836 8.009 ( -2.605 1.121 -1.660) 3.287 8.129 ( 13.646 0.929 -1.590) 13.770 8.170 ( 0.454 0.727 1.915) 2.099 8.310 ( 0.176 1.252 1.742) 2.152 8.407 ( -0.267 6.511 -2.904) 7.134 8.719 ( -7.105 0.600 3.946) 8.149 9.009 ( -3.158 3.564 -3.539) 5.933 9.190 ( -5.784 -2.275 0.562) 6.241 9.344 ( -9.347 6.331 2.609) 11.587 9.562 ( 5.996 1.175 -1.950) 6.413 9.693 ( -4.625 2.961 0.004) 5.492 9.963 ( 2.738 3.025 -0.167) 4.083 10.364 ( -0.416 -1.865 0.180) 1.920 10.674 ( 4.818 -1.799 -0.800) 5.205 10.835 ( 1.114 -6.543 2.063) 6.950 10.862 ( -1.658 -1.929 -3.936) 4.686 10.994 ( -0.026 -1.664 1.592) 2.303 11.154 ( 4.305 -1.380 1.209) 4.679 11.383 ( 3.680 0.824 -0.072) 3.772 11.433 ( 4.585 3.935 0.688) 6.081 11.552 ( 1.236 6.418 -0.781) 6.582 11.712 ( -2.449 3.086 0.128) 3.942 12.272 ( 1.647 5.697 -0.039) 5.931 12.303 ( -2.048 3.293 1.246) 4.073 12.608 ( 3.010 -1.495 -1.712) 3.772 12.692 ( 1.054 0.204 0.636) 1.248 13.243 ( 1.417 -3.497 0.471) 3.802 13.314 ( -1.067 -3.812 -0.844) 4.048 13.663 ( -2.096 8.520 1.098) 8.842 13.854 ( -4.350 5.445 -0.491) 6.987 15.855 ( 3.274 0.822 -2.015) 3.931 16.008 ( -1.406 2.395 1.947) 3.392 17.413 ( -5.344 -1.773 0.366) 5.643 17.805 ( -0.397 -5.151 -2.710) 5.834 17.916 ( 2.256 -7.324 0.962) 7.724 18.199 ( 9.811 6.825 3.667) 12.501 18.467 ( -4.117 11.153 -3.390) 12.362 18.936 ( 3.404 3.907 3.196) 6.088 19.119 ( 1.649 6.512 -2.608) 7.206 19.307 ( 3.728 3.495 -0.019) 5.110 19.799 ( -6.092 8.879 0.312) 10.772 20.221 ( -5.351 0.242 -0.151) 5.358 21.160 ( 3.102 -2.304 0.453) 3.891 21.668 ( 6.568 -9.027 -0.072) 11.163 22.091 ( 0.414 -2.623 -2.314) 3.522 22.136 ( 0.181 0.240 -0.152) 0.337 22.289 ( -0.582 -0.517 1.596) 1.776 22.679 ( -3.723 -2.785 9.772) 10.822 22.723 ( 2.608 -2.249 -8.335) 9.019 23.072 ( -3.148 2.155 -1.180) 3.994 23.310 ( -2.059 -2.289 0.844) 3.192 23.424 ( -7.493 -0.793 -0.563) 7.556 ======================= Grid point 5 (6/102) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 2.877 -0.328 -1.585) 3.302 1.739 ( 3.788 -9.943 -3.059) 11.071 1.925 ( 2.583 -10.284 1.130) 10.664 2.085 ( 3.470 -0.301 2.539) 4.310 2.253 ( 1.318 4.716 1.489) 5.118 2.292 ( -4.903 3.503 0.384) 6.038 2.409 ( 3.119 -4.273 0.718) 5.339 2.626 ( -1.771 -1.071 1.259) 2.423 2.694 ( 1.392 3.453 -4.766) 6.048 2.758 ( -1.369 -3.570 -0.450) 3.849 2.828 ( 6.047 -3.520 1.724) 7.206 2.994 ( 1.315 -4.424 -0.348) 4.628 3.057 ( -4.004 0.080 1.211) 4.184 3.152 ( -3.711 6.651 1.899) 7.849 3.227 ( 0.802 0.395 -0.065) 0.896 3.260 ( 1.905 -0.387 -3.251) 3.788 3.284 ( -2.298 3.548 1.334) 4.433 3.416 ( -1.244 -1.462 0.271) 1.939 3.581 ( 3.816 -3.995 -1.883) 5.837 3.648 ( -0.277 -3.263 -1.924) 3.798 3.673 ( 0.301 3.019 1.630) 3.444 3.753 ( -4.352 4.194 3.482) 6.975 3.938 ( 5.773 -2.998 -2.851) 7.103 3.992 ( -5.522 -2.246 0.468) 5.980 4.136 ( -0.640 -0.114 0.278) 0.707 4.246 ( 3.780 1.631 -0.405) 4.137 4.326 ( 4.414 -2.303 -3.740) 6.227 4.426 ( -7.875 2.952 2.350) 8.732 4.619 ( -0.703 1.260 2.442) 2.836 4.873 ( 1.943 -1.858 1.359) 3.012 4.922 ( 1.080 -1.087 0.647) 1.663 4.931 ( 1.958 1.716 -0.274) 2.617 5.079 ( -3.255 -1.180 -4.105) 5.370 5.107 ( -5.230 1.500 0.727) 5.489 5.280 ( 1.939 -1.325 0.206) 2.358 5.423 ( 0.693 1.185 2.127) 2.531 5.554 ( -2.477 -2.563 -0.242) 3.573 5.641 ( -0.315 0.793 -1.622) 1.833 5.778 ( 1.825 -2.916 0.982) 3.578 5.858 ( -2.237 3.246 -1.508) 4.221 6.010 ( -0.160 -0.574 1.595) 1.702 6.352 ( 0.433 -0.653 0.229) 0.816 6.534 ( 6.141 -0.443 -1.355) 6.304 6.579 ( 1.636 -4.313 -0.941) 4.708 6.817 ( 0.244 1.627 4.350) 4.651 6.898 ( 5.302 -2.511 -3.537) 6.851 7.095 ( 2.194 -0.962 -0.430) 2.434 7.222 ( -2.442 6.910 2.193) 7.649 7.423 ( 2.450 -3.589 -1.400) 4.566 7.496 ( 2.016 3.693 0.672) 4.260 7.994 ( -1.458 -0.967 -0.596) 1.849 8.156 ( 2.744 1.914 0.328) 3.362 8.203 ( 7.067 -0.092 -2.523) 7.505 8.296 ( -1.965 2.724 -0.223) 3.367 8.311 ( -0.178 -0.214 1.521) 1.546 8.665 ( -4.074 1.335 3.734) 5.686 8.939 ( -1.352 0.744 -4.189) 4.464 9.185 ( -3.902 2.165 0.563) 4.498 9.195 ( -3.779 0.508 1.582) 4.128 9.557 ( 3.034 1.934 -1.196) 3.792 9.652 ( -2.499 -0.597 0.258) 2.582 9.934 ( 0.963 1.367 0.500) 1.746 10.391 ( -0.055 -0.989 -0.301) 1.035 10.714 ( 1.580 -0.355 -0.303) 1.647 10.866 ( -0.002 -0.417 -1.456) 1.515 10.962 ( 0.448 -4.296 0.242) 4.326 11.041 ( 0.632 -2.124 1.211) 2.525 11.205 ( 1.851 -0.735 1.033) 2.244 11.379 ( 2.751 1.829 -0.172) 3.308 11.411 ( 0.545 0.850 1.861) 2.118 11.447 ( -0.845 3.678 -2.315) 4.427 11.646 ( -0.754 2.111 -0.136) 2.246 12.210 ( 0.595 2.040 0.295) 2.145 12.255 ( -0.625 1.174 0.243) 1.352 12.654 ( 1.826 -1.663 -1.192) 2.742 12.685 ( -0.540 0.966 0.794) 1.362 13.324 ( 1.906 -3.068 0.435) 3.638 13.381 ( -0.183 -3.969 -1.043) 4.108 13.510 ( -1.950 6.339 0.934) 6.698 13.746 ( -1.967 3.002 -0.247) 3.598 15.858 ( 1.183 0.337 -0.791) 1.462 15.970 ( -0.881 0.921 0.770) 1.489 17.407 ( -1.680 -0.514 0.055) 1.758 17.856 ( -1.085 -1.801 -1.439) 2.548 18.027 ( 1.213 -2.659 0.449) 2.957 18.195 ( 4.865 0.894 5.882) 7.686 18.290 ( -2.473 4.663 -5.340) 7.508 18.923 ( 1.925 0.731 3.239) 3.838 19.024 ( 0.220 3.405 -3.369) 4.796 19.290 ( 1.558 1.021 0.396) 1.904 19.656 ( -2.674 3.070 0.116) 4.073 20.185 ( -1.720 0.471 -0.146) 1.790 21.204 ( 1.026 -0.804 0.199) 1.318 21.839 ( 3.137 -5.217 0.537) 6.111 22.063 ( -1.398 3.264 -0.827) 3.646 22.141 ( 0.479 -1.013 -1.269) 1.693 22.313 ( -0.059 -0.920 1.036) 1.386 22.647 ( -1.662 1.102 2.031) 2.846 22.851 ( 3.007 -6.359 -1.845) 7.272 22.987 ( -3.011 4.338 0.152) 5.283 23.336 ( 0.339 -1.181 0.417) 1.298 23.383 ( -3.686 0.282 -0.340) 3.712 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 22.625 0.000 0.614) 22.634 0.407 ( 26.572 0.000 1.236) 26.600 0.774 ( 49.882 0.000 3.819) 50.028 1.157 ( 7.739 0.000 -1.213) 7.834 1.214 ( 2.339 0.000 -12.746) 12.959 1.812 ( 2.577 0.000 10.233) 10.553 1.881 ( 13.598 0.000 6.474) 15.060 2.355 ( 4.919 0.000 -13.785) 14.636 2.385 ( 12.656 0.000 -1.232) 12.715 2.503 ( 3.048 0.000 -0.415) 3.076 2.677 ( 4.579 0.000 4.815) 6.645 2.802 ( -4.780 -0.000 -2.504) 5.396 2.979 ( 0.009 0.000 -0.330) 0.330 3.080 ( -8.407 -0.000 -2.542) 8.783 3.339 ( 8.769 0.000 -7.247) 11.376 3.397 ( -1.517 -0.000 -2.978) 3.342 3.407 ( -5.781 -0.000 3.135) 6.576 3.455 ( -1.432 -0.000 5.016) 5.216 3.530 ( 2.712 0.000 0.496) 2.757 3.755 ( 1.882 0.000 -3.518) 3.990 3.766 ( 2.757 0.000 -5.322) 5.994 3.890 ( -2.949 -0.000 1.100) 3.148 3.912 ( -2.694 -0.000 -1.019) 2.880 4.043 ( -0.371 -0.000 1.183) 1.240 4.241 ( -4.173 -0.000 4.761) 6.330 4.520 ( -9.492 -0.000 4.839) 10.655 4.615 ( -3.324 -0.000 -3.376) 4.738 4.756 ( -0.529 -0.000 -3.570) 3.610 4.827 ( 3.241 0.000 -1.603) 3.616 4.831 ( 7.702 0.000 -1.322) 7.815 4.932 ( -2.169 -0.000 -0.853) 2.330 4.965 ( -3.059 -0.000 -7.032) 7.669 5.013 ( 0.688 0.000 -1.778) 1.906 5.113 ( -1.358 -0.000 3.337) 3.603 5.227 ( 6.960 0.000 -6.710) 9.667 5.336 ( -9.984 -0.000 -0.780) 10.015 5.422 ( -2.691 -0.000 -4.041) 4.855 5.577 ( -12.620 -0.000 0.659) 12.637 5.694 ( -7.037 -0.000 7.908) 10.586 5.956 ( -2.559 -0.000 1.816) 3.138 5.961 ( 4.265 0.000 -0.776) 4.335 6.145 ( -0.137 -0.000 -6.678) 6.680 6.421 ( 17.321 0.000 0.927) 17.346 6.622 ( -7.549 -0.000 -4.056) 8.569 6.777 ( 6.363 0.000 0.170) 6.366 6.781 ( -7.044 -0.000 -1.734) 7.254 7.109 ( 0.444 0.000 8.660) 8.671 7.189 ( 5.070 0.000 -2.116) 5.494 7.244 ( 18.820 0.000 -6.722) 19.985 7.835 ( 6.970 0.000 -1.320) 7.094 8.090 ( 1.331 0.000 0.909) 1.612 8.126 ( 7.454 0.000 -19.943) 21.291 8.403 ( -6.471 -0.000 1.810) 6.719 8.608 ( -21.338 -0.000 46.511) 51.172 8.742 ( 11.113 0.000 -7.293) 13.292 8.938 ( -3.766 -0.000 3.919) 5.435 9.033 ( -4.092 -0.000 4.946) 6.419 9.186 ( -6.238 -0.000 -2.845) 6.856 9.363 ( 11.619 0.000 -6.851) 13.488 9.858 ( 5.473 0.000 3.886) 6.713 9.964 ( 4.665 0.000 -0.358) 4.678 10.576 ( 6.047 0.000 -33.217) 33.762 10.655 ( -17.553 -0.000 7.738) 19.183 10.682 ( -4.465 -0.000 -5.727) 7.262 10.756 ( 2.407 0.000 -10.734) 11.000 10.850 ( -6.828 -0.000 1.268) 6.945 11.105 ( 5.477 0.000 -1.127) 5.592 11.156 ( 5.641 0.000 -0.501) 5.664 11.240 ( 16.172 0.000 -59.026) 61.201 11.305 ( 1.697 0.000 6.097) 6.328 11.509 ( 8.681 0.000 -2.816) 9.126 11.686 ( 15.193 0.000 3.282) 15.543 12.461 ( -8.112 -0.000 3.309) 8.761 12.577 ( -3.875 -0.000 0.646) 3.929 12.745 ( 9.490 0.000 -3.207) 10.017 13.118 ( -0.324 -0.000 -1.135) 1.180 13.213 ( -0.190 -0.000 -0.915) 0.934 13.289 ( 7.325 0.000 0.738) 7.362 14.070 ( -2.884 -0.000 -0.203) 2.891 14.091 ( -1.935 -0.000 0.695) 2.056 16.142 ( 2.198 0.000 9.739) 9.984 16.218 ( 11.228 0.000 -60.224) 61.261 17.253 ( -0.222 -0.000 -2.342) 2.352 17.470 ( 3.217 0.000 -2.047) 3.813 17.922 ( 6.677 0.000 -0.199) 6.680 18.325 ( 7.555 0.000 -20.956) 22.276 19.262 ( -22.267 -0.000 23.001) 32.014 19.355 ( -14.185 -0.000 -0.975) 14.218 19.728 ( 8.264 0.000 -2.676) 8.687 19.808 ( 7.711 0.000 12.736) 14.889 20.189 ( 8.370 0.000 0.820) 8.411 20.775 ( -0.477 -0.000 -0.145) 0.499 20.798 ( -0.397 -0.000 -2.549) 2.580 21.439 ( 35.683 0.000 -106.419) 112.242 21.809 ( -20.344 -0.000 62.752) 65.967 21.876 ( -1.188 -0.000 10.993) 11.057 21.904 ( 3.466 0.000 -0.226) 3.474 22.350 ( 1.381 0.000 -1.676) 2.171 22.420 ( 0.000 0.000 0.385) 0.385 22.877 ( -6.129 -0.000 2.457) 6.603 23.098 ( -1.890 -0.000 -0.107) 1.893 23.131 ( -2.377 -0.000 0.501) 2.429 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 17.881 -12.738 2.613) 22.109 0.800 ( 17.758 -18.084 4.062) 25.669 1.236 ( 5.412 -1.589 -4.819) 7.419 1.322 ( 38.499 -17.433 -1.262) 42.281 1.361 ( 10.759 -13.142 -3.790) 17.402 1.799 ( 7.344 4.450 0.934) 8.638 2.020 ( 14.515 -1.646 11.085) 18.338 2.298 ( 10.509 6.306 -9.180) 15.312 2.539 ( 5.616 -6.898 -1.896) 9.095 2.635 ( 1.389 -9.515 1.364) 9.712 2.737 ( -3.519 0.649 0.017) 3.578 2.759 ( 6.563 -2.894 0.624) 7.200 2.951 ( 0.171 -0.341 -0.004) 0.382 3.052 ( -3.256 -0.292 -0.228) 3.277 3.316 ( -4.316 3.112 0.473) 5.342 3.335 ( -1.642 3.856 -1.913) 4.607 3.401 ( -1.122 -1.714 0.177) 2.056 3.476 ( 1.629 0.667 0.525) 1.837 3.561 ( 1.321 -2.444 1.997) 3.421 3.703 ( 0.944 2.426 -3.343) 4.237 3.833 ( -1.158 0.812 -2.332) 2.727 3.873 ( -2.998 -3.230 -2.504) 5.069 3.907 ( -1.200 -0.671 0.690) 1.538 4.018 ( -3.600 1.507 1.250) 4.098 4.203 ( -4.656 2.727 5.423) 7.650 4.398 ( -6.352 4.477 3.700) 8.608 4.595 ( 1.638 2.917 -2.832) 4.383 4.686 ( -3.677 2.022 -0.922) 4.296 4.721 ( 3.789 6.253 -3.891) 8.282 4.778 ( -5.879 4.781 -2.735) 8.056 4.871 ( 3.225 4.410 0.543) 5.490 5.012 ( 2.222 -0.677 -1.765) 2.917 5.100 ( -2.220 -6.053 3.525) 7.348 5.159 ( -3.181 -4.070 0.787) 5.225 5.257 ( -1.197 1.388 -0.687) 1.958 5.293 ( -5.418 -3.398 -2.452) 6.849 5.402 ( -0.975 -3.588 -7.403) 8.284 5.495 ( -10.688 0.065 0.500) 10.700 5.677 ( -8.327 -2.197 6.869) 11.016 5.912 ( 0.565 3.059 1.682) 3.536 6.019 ( -0.903 -3.423 -0.329) 3.555 6.150 ( 1.379 -1.535 -3.271) 3.868 6.373 ( 13.340 11.001 -1.576) 17.363 6.582 ( 9.066 1.962 3.407) 9.882 6.683 ( -5.497 2.991 -0.641) 6.291 6.854 ( 6.403 -1.888 -3.459) 7.518 7.099 ( 1.461 0.733 4.691) 4.967 7.254 ( 5.797 -1.770 0.821) 6.117 7.463 ( 9.070 -6.461 -3.201) 11.587 7.932 ( 8.435 -3.228 0.289) 9.036 8.053 ( 7.908 7.420 -1.506) 10.948 8.147 ( 4.833 -0.690 -14.247) 15.060 8.315 ( -4.631 4.569 4.027) 7.651 8.411 ( -6.662 9.296 20.957) 23.875 8.729 ( 2.869 6.751 -6.942) 10.100 8.935 ( -10.123 -0.397 1.074) 10.187 9.020 ( 1.322 -0.211 7.405) 7.525 9.181 ( 1.587 -2.710 -0.484) 3.178 9.451 ( 9.097 -1.775 -5.461) 10.758 9.867 ( 6.995 15.145 -3.670) 17.081 9.920 ( 9.164 1.163 -3.616) 9.920 10.130 ( 16.846 18.230 -13.104) 28.068 10.578 ( 0.665 7.332 1.825) 7.585 10.587 ( -11.773 -0.255 0.061) 11.776 10.766 ( -8.109 -1.528 1.495) 8.386 10.792 ( -3.736 1.339 0.983) 4.088 11.024 ( 2.303 3.877 -0.113) 4.511 11.100 ( 7.097 3.450 -8.167) 11.357 11.330 ( 5.588 -6.040 0.900) 8.278 11.532 ( 4.470 -2.074 1.739) 5.225 11.584 ( 4.027 -4.957 -9.893) 11.775 11.797 ( 10.704 0.319 4.503) 11.617 12.421 ( -8.051 -1.204 2.934) 8.654 12.528 ( -5.655 0.971 -0.608) 5.770 12.774 ( 13.559 6.089 -1.281) 14.918 12.937 ( 15.815 16.400 -0.245) 22.784 13.192 ( -0.756 1.373 -0.522) 1.652 13.236 ( 1.631 2.577 1.042) 3.223 14.048 ( -1.832 2.875 0.524) 3.449 14.102 ( -8.003 -1.499 -0.007) 8.143 15.999 ( 7.597 9.375 -16.364) 20.332 16.181 ( 2.356 2.795 6.176) 7.177 17.236 ( 0.101 -0.975 0.320) 1.031 17.527 ( 4.492 -3.209 -2.937) 6.254 17.710 ( 5.475 8.999 1.552) 10.648 18.495 ( 9.535 -2.174 -8.694) 13.086 19.049 ( -10.577 4.543 5.138) 12.606 19.435 ( -12.384 -2.545 -1.678) 12.753 19.665 ( 9.260 11.168 -1.830) 14.622 19.864 ( 8.064 7.533 12.736) 16.851 19.912 ( 0.882 15.334 -1.333) 15.417 20.575 ( -3.080 14.262 0.040) 14.591 20.916 ( 4.335 -9.020 -1.283) 10.090 21.116 ( 23.958 4.610 -13.559) 27.912 21.742 ( 0.458 -6.926 9.165) 11.496 21.911 ( 2.073 -2.353 -0.775) 3.230 22.352 ( 1.238 -0.147 -1.119) 1.675 22.435 ( 0.039 -1.416 0.884) 1.669 22.739 ( -11.489 -13.367 -2.636) 17.823 22.963 ( -21.079 -21.418 -4.371) 30.367 23.094 ( -4.601 -2.806 -0.807) 5.449 23.153 ( -4.669 -5.353 2.042) 7.391 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 14.381 -14.668 2.998) 20.759 1.224 ( 9.101 -5.447 4.104) 11.373 1.293 ( 6.560 -12.731 4.847) 15.120 1.649 ( 10.830 -8.236 -9.983) 16.875 1.854 ( 15.495 -8.376 -4.315) 18.135 1.929 ( 22.671 -15.420 -1.987) 27.490 2.188 ( 11.984 -3.621 8.494) 15.129 2.273 ( 9.683 0.714 -5.489) 11.154 2.637 ( 1.479 -2.908 -3.446) 4.745 2.760 ( -3.106 -3.056 2.753) 5.154 2.812 ( -1.710 -7.097 3.692) 8.181 2.896 ( 3.917 -2.158 5.734) 7.271 2.937 ( 2.233 -2.224 -3.055) 4.389 3.087 ( 4.073 -3.690 -1.533) 5.706 3.214 ( -4.801 3.572 -0.043) 5.984 3.267 ( -6.051 -0.273 -0.491) 6.077 3.401 ( -0.578 2.151 0.937) 2.417 3.438 ( -1.845 2.352 -0.267) 3.001 3.621 ( 4.296 1.098 0.061) 4.434 3.647 ( -2.997 0.423 -4.688) 5.580 3.786 ( -2.406 1.607 0.184) 2.899 3.845 ( -1.271 4.000 0.995) 4.314 3.933 ( -4.494 -3.885 -3.984) 7.153 3.974 ( -5.426 -0.761 3.556) 6.532 4.100 ( -4.151 4.597 4.627) 7.731 4.295 ( -2.088 4.744 1.666) 5.444 4.489 ( 1.160 10.174 -1.583) 10.361 4.631 ( 1.740 -1.214 -1.178) 2.427 4.690 ( -6.615 -0.056 -1.611) 6.809 4.743 ( 5.230 -2.754 -4.003) 7.139 4.828 ( 2.369 2.875 2.028) 4.242 4.987 ( -7.125 -0.038 0.224) 7.129 5.108 ( -4.250 3.495 7.273) 9.120 5.198 ( 0.138 -2.233 -0.384) 2.270 5.226 ( -3.094 -0.029 -7.129) 7.771 5.334 ( -2.052 -2.847 -1.519) 3.824 5.434 ( -5.747 -3.315 2.421) 7.062 5.495 ( -0.124 -6.549 -5.899) 8.815 5.660 ( -8.472 -1.301 4.790) 9.819 5.877 ( 2.366 1.965 0.911) 3.208 6.061 ( -0.860 -1.815 -0.425) 2.053 6.197 ( 0.255 -2.907 1.930) 3.499 6.377 ( 13.979 -0.003 -1.878) 14.105 6.549 ( -2.855 3.877 1.345) 4.999 6.657 ( 9.475 2.082 0.306) 9.706 6.931 ( 7.846 -1.283 -3.727) 8.780 7.124 ( 0.512 -1.184 2.582) 2.886 7.306 ( 3.608 0.068 3.128) 4.775 7.581 ( 6.148 -1.105 -1.420) 6.406 7.864 ( 6.850 14.793 0.185) 16.303 8.081 ( 7.720 -1.656 -0.864) 7.943 8.128 ( -0.588 2.877 -5.911) 6.600 8.232 ( -0.677 2.249 5.706) 6.171 8.362 ( 4.058 -0.492 3.999) 5.718 8.610 ( 1.803 5.744 -7.350) 9.501 8.796 ( -11.911 4.192 2.393) 12.852 9.059 ( -1.678 -0.530 3.614) 4.020 9.218 ( 2.000 1.482 0.434) 2.527 9.524 ( 6.546 -0.939 -5.893) 8.858 9.622 ( 3.106 12.242 -3.192) 13.027 9.933 ( 2.429 5.702 2.623) 6.730 10.041 ( 9.334 3.202 -5.027) 11.075 10.422 ( -5.439 5.249 3.193) 8.205 10.576 ( 0.255 -2.293 0.489) 2.358 10.714 ( -3.456 1.408 2.532) 4.510 10.780 ( -4.072 -2.434 -1.545) 4.989 10.992 ( 2.274 1.634 0.219) 2.808 11.118 ( 6.166 -0.392 -4.384) 7.576 11.441 ( 8.538 -0.434 -0.391) 8.558 11.565 ( 7.779 2.872 1.325) 8.397 11.666 ( 3.006 -2.487 -1.753) 4.277 11.830 ( 3.460 3.288 3.390) 5.854 12.384 ( -6.150 0.069 1.019) 6.234 12.464 ( -4.448 1.851 -0.447) 4.838 12.727 ( 11.758 8.682 -0.564) 14.627 12.822 ( 15.100 10.162 0.043) 18.201 13.166 ( -1.102 0.032 -0.066) 1.104 13.220 ( -2.424 -0.903 0.156) 2.591 13.952 ( -2.621 6.234 0.653) 6.794 14.019 ( -8.022 3.064 -0.034) 8.587 15.911 ( 2.968 3.017 -6.489) 7.748 16.129 ( -1.502 4.229 5.231) 6.892 17.281 ( -2.903 -4.186 0.492) 5.118 17.623 ( 3.961 -4.256 -2.733) 6.425 17.709 ( 7.691 -1.437 1.382) 7.945 18.495 ( 7.714 6.442 -3.051) 10.503 18.899 ( -8.862 6.339 2.066) 11.089 19.256 ( 1.676 14.133 -0.575) 14.244 19.480 ( 7.921 14.329 -0.849) 16.394 19.589 ( 6.946 14.912 -0.248) 16.452 19.983 ( -16.931 -12.094 3.739) 21.140 20.273 ( -3.168 16.067 0.007) 16.377 21.113 ( 9.613 -4.622 1.364) 10.753 21.291 ( 14.405 -8.394 -6.660) 17.953 21.920 ( 0.950 -9.040 7.980) 12.095 21.974 ( 1.730 -3.576 -2.998) 4.977 22.346 ( 0.324 1.408 -2.077) 2.530 22.481 ( 0.558 -3.526 1.690) 3.950 22.758 ( -5.444 -0.537 1.016) 5.564 23.060 ( -4.723 -3.229 -3.364) 6.637 23.140 ( -11.559 -8.386 -1.717) 14.384 23.245 ( -10.948 -8.968 1.390) 14.220 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 7.306 -6.436 0.380) 9.744 1.378 ( 11.002 -12.111 2.207) 16.510 1.682 ( 7.549 -14.611 6.995) 17.871 1.760 ( 7.567 -2.720 -8.875) 11.976 2.081 ( 8.871 -6.679 -3.827) 11.745 2.227 ( 6.564 -7.557 -1.488) 10.120 2.359 ( 7.426 -5.863 4.547) 10.497 2.515 ( 16.611 -11.736 -4.029) 20.734 2.640 ( -2.036 3.775 -0.204) 4.294 2.761 ( 3.973 0.338 3.124) 5.065 2.832 ( -7.316 0.562 3.993) 8.354 2.902 ( -2.272 -0.572 2.090) 3.139 3.064 ( -1.572 -1.792 1.263) 2.697 3.146 ( 4.113 -1.450 -2.582) 5.069 3.206 ( 0.424 -4.089 -3.305) 5.275 3.263 ( -3.415 -4.319 0.241) 5.511 3.327 ( -1.406 3.903 -1.188) 4.316 3.389 ( -1.712 0.774 0.460) 1.934 3.577 ( 2.355 2.919 -1.585) 4.072 3.631 ( -0.901 2.246 -1.262) 2.729 3.746 ( -3.295 0.982 1.339) 3.690 3.796 ( -1.546 -0.504 -0.357) 1.664 3.885 ( -7.332 0.483 3.207) 8.017 3.974 ( -2.259 2.458 1.263) 3.570 4.091 ( 1.114 -5.427 0.229) 5.545 4.208 ( -1.720 3.111 -1.004) 3.694 4.337 ( 1.035 6.225 -0.552) 6.335 4.620 ( -3.522 3.557 -0.709) 5.056 4.660 ( -2.344 -0.107 0.592) 2.420 4.818 ( 2.293 0.260 1.488) 2.746 4.837 ( 5.469 -3.575 -3.227) 7.287 4.947 ( -11.555 -2.637 2.846) 12.189 5.041 ( 1.167 1.765 -0.926) 2.310 5.151 ( -8.241 1.499 -1.519) 8.513 5.232 ( -0.746 -1.498 0.908) 1.904 5.345 ( 0.448 -1.990 -1.965) 2.832 5.524 ( 0.487 -4.469 -0.175) 4.499 5.593 ( -1.903 -4.628 -1.231) 5.153 5.633 ( -3.369 -2.098 1.486) 4.238 5.882 ( 1.780 -0.377 -0.004) 1.820 6.060 ( -1.154 1.528 1.837) 2.653 6.262 ( -0.403 -3.704 2.301) 4.379 6.484 ( -0.161 1.059 -2.222) 2.466 6.529 ( 14.216 -4.193 -1.890) 14.941 6.697 ( 10.253 1.801 1.869) 10.576 6.990 ( 5.771 -0.104 -3.362) 6.680 7.137 ( -1.314 0.270 0.552) 1.451 7.335 ( 3.925 0.887 6.471) 7.620 7.593 ( 1.371 2.412 0.108) 2.776 7.641 ( 4.966 13.661 -3.449) 14.939 8.024 ( -3.235 4.155 -2.415) 5.793 8.122 ( -2.245 -1.554 2.022) 3.397 8.275 ( 8.744 -0.256 2.702) 9.156 8.393 ( 6.555 3.567 -1.148) 7.551 8.514 ( 0.982 5.978 -3.713) 7.106 8.671 ( -8.461 0.068 2.007) 8.696 9.027 ( -4.784 1.482 0.441) 5.028 9.168 ( 0.026 3.692 0.387) 3.713 9.405 ( -6.488 8.230 -1.773) 10.629 9.603 ( 6.999 -0.845 -1.303) 7.169 9.778 ( -3.386 9.073 0.719) 9.711 10.053 ( 6.775 2.950 -2.548) 7.816 10.358 ( -0.003 0.715 2.538) 2.636 10.676 ( 3.772 -6.524 -0.184) 7.538 10.698 ( -2.647 -1.592 0.829) 3.199 10.799 ( -2.573 -2.589 -1.237) 3.853 10.992 ( 2.543 0.522 1.157) 2.842 11.170 ( 5.300 -1.167 -1.815) 5.723 11.481 ( 10.848 3.731 -1.129) 11.527 11.554 ( 5.771 4.463 1.609) 7.471 11.702 ( 6.623 3.530 0.604) 7.529 11.752 ( -2.683 4.512 0.662) 5.291 12.331 ( -3.975 1.678 0.015) 4.315 12.388 ( -1.037 4.613 0.811) 4.798 12.666 ( 8.113 5.270 -1.220) 9.751 12.768 ( 8.645 6.112 0.304) 10.592 13.192 ( 0.274 -3.186 0.804) 3.298 13.235 ( -2.639 -3.000 -0.883) 4.092 13.792 ( -4.437 8.217 0.458) 9.349 13.899 ( -6.543 4.033 0.150) 7.688 15.882 ( 0.577 0.828 -3.460) 3.604 16.046 ( -3.822 3.419 3.131) 6.009 17.331 ( -2.264 -3.402 0.146) 4.089 17.713 ( 0.559 -4.127 -2.009) 4.624 17.836 ( 7.847 -4.786 1.438) 9.303 18.407 ( 5.904 7.785 0.023) 9.771 18.672 ( -3.968 12.899 -0.083) 13.496 19.069 ( 4.114 8.547 1.703) 9.637 19.292 ( 3.140 10.530 -3.301) 11.473 19.438 ( 5.368 7.792 0.979) 9.513 19.964 ( -5.259 13.114 -0.877) 14.156 20.055 ( -14.803 -7.336 1.625) 16.601 21.228 ( 12.864 0.897 0.683) 12.913 21.539 ( 6.972 -10.255 -1.981) 12.558 22.038 ( 1.928 -3.297 -3.405) 5.117 22.090 ( 0.174 -6.137 4.920) 7.868 22.301 ( -1.140 2.366 -0.884) 2.771 22.580 ( 0.880 -6.190 2.571) 6.760 22.717 ( -3.728 0.969 0.110) 3.854 23.056 ( -3.271 -0.607 -3.136) 4.572 23.203 ( -7.630 -6.855 -0.437) 10.266 23.296 ( -9.570 -5.314 1.043) 10.996 ======================= Grid point 16 (11/102) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 5.090 -9.850 -2.638) 11.397 1.607 ( 9.398 -4.589 -3.062) 10.898 1.813 ( 6.868 -4.803 -1.938) 8.602 2.018 ( 2.293 -11.768 7.348) 14.062 2.194 ( -1.376 -3.777 -1.011) 4.145 2.361 ( 3.303 -0.343 5.755) 6.644 2.467 ( 3.735 2.312 -3.542) 5.643 2.580 ( 0.850 -2.150 -0.021) 2.312 2.672 ( -0.933 -0.516 1.023) 1.478 2.759 ( -1.810 3.069 -0.992) 3.698 2.816 ( 0.821 -2.852 1.094) 3.163 2.937 ( 2.830 -2.827 -0.374) 4.017 3.042 ( 1.997 -0.088 0.332) 2.027 3.187 ( -2.268 -0.371 0.101) 2.300 3.236 ( 1.985 -0.126 -3.554) 4.072 3.278 ( 0.247 1.457 -0.096) 1.481 3.351 ( -1.303 0.083 -0.020) 1.306 3.363 ( -0.151 -1.895 -0.576) 1.986 3.566 ( 3.247 0.380 0.770) 3.359 3.591 ( -0.111 -0.683 -1.288) 1.462 3.703 ( -2.443 1.328 1.521) 3.169 3.805 ( -1.941 1.014 0.335) 2.215 3.868 ( -5.705 -4.194 1.983) 7.353 3.923 ( -0.342 0.149 -0.008) 0.373 4.130 ( -2.004 1.249 -0.863) 2.514 4.235 ( -1.585 -4.988 -2.166) 5.664 4.299 ( 4.757 -1.380 -1.573) 5.197 4.476 ( -6.415 7.127 0.862) 9.627 4.635 ( -2.769 1.016 2.255) 3.713 4.855 ( 0.573 -1.696 3.158) 3.630 4.896 ( -6.309 -0.147 5.260) 8.216 4.935 ( 1.209 -3.617 -4.003) 5.529 5.042 ( 3.318 0.144 -7.265) 7.988 5.085 ( -3.967 0.003 0.595) 4.012 5.264 ( -0.959 -2.503 1.683) 3.165 5.407 ( 1.438 -3.857 -0.805) 4.195 5.531 ( -1.708 2.003 2.305) 3.499 5.616 ( -1.879 -2.119 -1.777) 3.343 5.729 ( 3.356 -4.697 0.015) 5.773 5.888 ( -1.254 1.027 -1.479) 2.194 6.016 ( -0.465 1.681 2.930) 3.410 6.321 ( -0.695 -2.322 2.192) 3.268 6.513 ( 3.187 -3.567 -4.407) 6.503 6.644 ( 10.625 3.115 -1.088) 11.126 6.798 ( 8.303 -4.905 2.913) 10.074 6.970 ( -0.251 4.838 -1.980) 5.233 7.116 ( 1.707 1.094 -0.726) 2.153 7.332 ( -1.552 3.806 7.286) 8.366 7.448 ( 1.059 8.135 -5.127) 9.674 7.544 ( -2.123 2.090 0.882) 3.107 7.954 ( -2.359 0.413 -2.977) 3.821 8.132 ( -5.839 -2.036 4.372) 7.573 8.311 ( -0.838 1.640 -1.005) 2.098 8.327 ( 3.236 6.596 -2.081) 7.636 8.422 ( 9.226 5.213 -1.274) 10.673 8.662 ( -1.986 -0.635 4.251) 4.734 8.954 ( -0.433 2.572 -4.023) 4.794 9.137 ( -1.958 -1.251 1.725) 2.894 9.220 ( -7.350 5.347 1.094) 9.155 9.608 ( -6.192 3.715 -0.105) 7.222 9.671 ( 8.825 1.331 -1.586) 9.065 10.019 ( 4.999 4.822 -0.362) 6.955 10.376 ( 1.197 -1.111 0.610) 1.743 10.715 ( -0.770 -1.333 -1.265) 1.992 10.807 ( -1.225 -3.476 -2.774) 4.613 10.852 ( 1.305 -6.450 2.165) 6.927 11.019 ( 1.913 -1.283 2.163) 3.160 11.222 ( 3.021 -0.926 -0.015) 3.160 11.446 ( 3.691 7.113 -1.010) 8.077 11.500 ( 4.213 4.892 1.750) 6.689 11.607 ( 6.071 8.011 -0.136) 10.052 11.710 ( 3.522 3.335 -0.592) 4.886 12.272 ( -1.643 2.135 -1.757) 3.217 12.290 ( -0.458 5.265 2.464) 5.832 12.661 ( 4.940 0.851 -1.280) 5.174 12.727 ( 2.885 3.423 0.550) 4.510 13.278 ( 2.664 -4.239 1.438) 5.209 13.286 ( -1.891 -4.925 -1.828) 5.583 13.614 ( -4.585 7.457 0.239) 8.757 13.783 ( -5.210 3.796 0.507) 6.466 15.866 ( -0.577 0.405 -2.529) 2.626 15.976 ( -4.070 1.462 2.274) 4.886 17.373 ( -0.057 -2.243 0.010) 2.244 17.767 ( -3.673 -3.650 -1.151) 5.304 17.975 ( 5.042 -4.439 1.288) 6.840 18.323 ( 3.609 5.376 0.244) 6.480 18.431 ( 2.278 12.071 -0.713) 12.304 18.991 ( 2.231 4.062 4.052) 6.156 19.140 ( 3.030 8.100 -4.856) 9.918 19.368 ( 4.383 4.824 0.956) 6.587 19.722 ( -4.592 8.320 -0.251) 9.506 20.070 ( -13.542 -6.003 0.073) 14.813 21.284 ( 11.869 3.124 0.552) 12.286 21.741 ( 3.253 -8.102 0.240) 8.734 22.090 ( 0.831 -0.999 -3.174) 3.430 22.132 ( -0.294 0.956 -1.010) 1.421 22.283 ( -1.682 -1.725 2.855) 3.736 22.653 ( -3.982 0.546 6.898) 7.984 22.743 ( 3.494 -7.018 -4.906) 9.248 23.019 ( -2.896 1.665 -1.788) 3.790 23.272 ( -3.521 -5.542 -0.005) 6.566 23.310 ( -6.971 -3.177 0.496) 7.677 ======================= Grid point 17 (12/102) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 1.910 2.625 -2.913) 4.362 1.791 ( 4.823 -5.063 -2.351) 7.377 1.959 ( 2.047 -6.176 -2.156) 6.854 2.127 ( -0.007 5.571 3.403) 6.528 2.179 ( -9.614 -0.141 8.732) 12.988 2.323 ( 5.343 3.797 -2.544) 7.032 2.433 ( -1.182 -0.296 2.351) 2.648 2.623 ( 1.133 -1.409 -2.397) 3.002 2.681 ( -0.940 2.225 -0.013) 2.415 2.706 ( -3.256 -4.214 -1.365) 5.497 2.899 ( 1.800 0.558 1.006) 2.137 3.015 ( 2.694 -5.008 -0.776) 5.739 3.071 ( 4.224 0.598 -2.231) 4.814 3.106 ( -3.445 4.185 1.585) 5.647 3.213 ( -2.520 0.117 -1.258) 2.819 3.268 ( 1.788 3.067 1.800) 3.980 3.309 ( 4.142 0.102 -3.190) 5.229 3.422 ( 1.484 -1.803 -1.003) 2.541 3.586 ( -4.025 -2.120 2.192) 5.050 3.621 ( -1.885 0.752 2.995) 3.618 3.695 ( 2.523 0.080 -0.997) 2.713 3.752 ( 3.039 0.879 -2.359) 3.946 3.887 ( -7.436 -3.284 3.150) 8.718 4.006 ( 2.958 -3.977 -0.417) 4.974 4.112 ( -1.768 -1.952 -2.497) 3.629 4.219 ( -5.331 2.085 0.440) 5.742 4.322 ( -6.617 2.405 2.361) 7.426 4.426 ( 8.327 -3.877 -4.902) 10.411 4.605 ( -2.012 0.341 1.270) 2.403 4.853 ( -9.517 -1.596 6.524) 11.648 4.878 ( -1.466 0.280 1.141) 1.878 4.968 ( 3.669 1.886 -5.322) 6.733 5.069 ( 1.687 -3.411 -0.150) 3.808 5.117 ( 5.957 -2.001 -1.466) 6.453 5.286 ( -1.526 -0.179 -0.357) 1.578 5.450 ( 2.130 2.118 -0.142) 3.007 5.522 ( -2.418 -3.704 1.122) 4.564 5.631 ( -0.069 -0.968 0.804) 1.260 5.807 ( 0.529 0.290 -1.483) 1.600 5.842 ( 1.723 -0.048 1.117) 2.054 6.014 ( 0.463 0.070 0.237) 0.525 6.341 ( -1.506 -0.562 1.321) 2.080 6.592 ( 1.357 1.912 -1.417) 2.740 6.609 ( 3.291 2.457 -1.757) 4.467 6.801 ( -3.414 4.277 2.332) 5.949 6.951 ( 1.562 1.534 -0.200) 2.198 7.109 ( 0.394 0.776 -1.870) 2.063 7.201 ( -0.855 5.211 1.541) 5.501 7.390 ( -5.045 -2.791 -1.297) 5.910 7.477 ( -4.166 3.877 1.110) 5.798 7.956 ( -1.847 -2.472 -2.675) 4.084 8.117 ( -10.001 -1.156 5.854) 11.646 8.229 ( 1.667 6.684 2.133) 7.211 8.252 ( -2.746 -0.412 -1.726) 3.269 8.406 ( 7.374 4.614 -5.020) 10.043 8.669 ( 3.037 -0.748 -1.239) 3.364 8.953 ( 2.914 -0.383 2.555) 3.895 9.159 ( 2.273 -2.013 -1.117) 3.235 9.176 ( -0.712 -2.987 2.562) 3.999 9.525 ( -4.699 0.857 0.326) 4.787 9.704 ( 7.104 1.524 -1.665) 7.454 9.969 ( 3.619 3.983 -0.723) 5.430 10.404 ( 1.296 -0.549 0.731) 1.586 10.715 ( -1.207 0.195 -1.986) 2.332 10.827 ( -2.887 -1.708 -0.357) 3.373 10.964 ( -0.215 -3.210 1.450) 3.529 11.060 ( 0.543 -0.657 1.435) 1.669 11.230 ( 0.344 1.452 -0.156) 1.500 11.318 ( -5.918 3.629 0.102) 6.943 11.474 ( 5.775 2.483 1.496) 6.461 11.529 ( 8.838 7.374 -1.829) 11.655 11.672 ( 4.171 2.911 -0.164) 5.089 12.211 ( -0.375 2.399 -0.610) 2.504 12.245 ( -0.936 0.235 0.568) 1.120 12.685 ( 2.863 -0.143 -0.842) 2.988 12.687 ( 0.294 2.569 0.807) 2.709 13.351 ( 0.530 -0.390 1.044) 1.234 13.371 ( 0.348 -5.261 -2.400) 5.793 13.478 ( -2.561 3.733 0.685) 4.579 13.714 ( -2.520 -0.305 0.850) 2.677 15.845 ( -2.164 0.295 -1.119) 2.454 15.951 ( -2.027 -0.790 0.934) 2.368 17.413 ( 2.477 -1.363 -0.038) 2.827 17.796 ( -6.052 -4.094 0.223) 7.310 18.054 ( 2.240 -0.429 0.839) 2.430 18.241 ( -1.041 5.335 -5.447) 7.696 18.311 ( 6.934 4.224 4.144) 9.116 18.946 ( -0.994 4.254 3.451) 5.567 19.036 ( 3.370 3.214 -3.205) 5.653 19.314 ( 1.460 3.993 0.074) 4.252 19.630 ( -0.751 -0.620 -0.218) 0.998 20.085 ( -10.600 -5.992 0.031) 12.176 21.296 ( 10.037 4.679 0.289) 11.078 21.857 ( -1.109 -1.949 0.514) 2.301 22.042 ( -1.001 1.353 -0.302) 1.709 22.146 ( 1.337 -0.776 -2.684) 3.097 22.307 ( -1.484 -1.045 1.840) 2.585 22.635 ( -1.274 -0.362 2.239) 2.601 22.888 ( 2.951 -5.159 -2.425) 6.419 22.949 ( -2.037 2.596 0.480) 3.335 23.316 ( -3.515 -1.883 0.262) 3.996 23.350 ( -0.197 -4.673 -0.089) 4.678 ======================= Grid point 18 (13/102) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -2.353 3.813 -0.089) 4.481 1.698 ( -3.644 14.975 3.009) 15.703 1.878 ( -2.285 10.546 -2.835) 11.157 2.027 ( -2.899 5.209 0.778) 6.012 2.225 ( -1.355 -8.883 -0.147) 8.987 2.318 ( -3.491 1.895 1.844) 4.379 2.402 ( 4.361 4.933 -1.468) 6.746 2.636 ( -1.966 -1.687 -1.731) 3.116 2.673 ( -2.252 1.236 3.602) 4.424 2.715 ( -4.421 11.902 -1.685) 12.808 2.782 ( 0.128 -4.063 -0.347) 4.080 2.973 ( -1.439 3.671 0.651) 3.996 3.150 ( 6.956 -3.252 -4.353) 8.827 3.175 ( -1.431 -3.601 1.828) 4.284 3.227 ( 1.765 1.800 -0.679) 2.610 3.252 ( 0.276 -4.296 0.532) 4.338 3.323 ( 2.764 -0.884 -0.647) 2.973 3.445 ( 1.655 0.489 -1.900) 2.567 3.547 ( 0.051 4.873 1.467) 5.089 3.606 ( -4.732 -3.665 4.639) 7.573 3.705 ( 3.781 1.017 -1.851) 4.331 3.816 ( 5.429 -3.145 -4.325) 7.621 3.882 ( -3.042 0.665 4.272) 5.287 4.031 ( -0.590 0.372 1.093) 1.297 4.122 ( -4.211 1.479 -0.590) 4.502 4.161 ( -2.472 -1.737 -1.047) 3.197 4.306 ( -2.578 -2.246 4.284) 5.481 4.508 ( 3.859 -1.537 -4.203) 5.909 4.598 ( -2.665 -0.847 -1.058) 2.990 4.842 ( 0.065 1.437 0.932) 1.714 4.856 ( -4.625 -2.534 1.449) 5.469 4.946 ( 3.195 1.880 -3.133) 4.853 5.146 ( 1.892 -2.136 3.920) 4.849 5.203 ( 4.598 -2.511 -1.211) 5.377 5.269 ( 2.752 0.584 -2.309) 3.640 5.404 ( -0.097 2.965 -1.197) 3.199 5.571 ( -2.339 -2.936 1.955) 4.232 5.660 ( 1.109 -0.442 2.753) 3.001 5.755 ( -0.539 3.111 -1.707) 3.589 5.899 ( 1.515 -1.439 3.315) 3.919 6.005 ( 0.990 0.462 -4.580) 4.709 6.325 ( -2.272 0.984 0.076) 2.477 6.449 ( -5.930 6.624 3.749) 9.649 6.560 ( -1.068 5.361 -2.265) 5.917 6.764 ( -4.165 8.031 0.705) 9.074 6.845 ( -3.147 -4.358 -0.750) 5.428 7.044 ( -4.780 3.716 -0.446) 6.071 7.238 ( 0.872 -4.032 -2.269) 4.708 7.351 ( -6.359 5.208 2.261) 8.525 7.431 ( -4.818 -5.517 -0.155) 7.326 7.971 ( -3.724 -0.986 -2.857) 4.796 8.069 ( -7.177 -1.877 3.543) 8.221 8.151 ( -0.276 2.978 3.792) 4.829 8.301 ( -0.320 -5.598 0.399) 5.621 8.352 ( 3.083 3.981 -3.644) 6.216 8.734 ( 6.280 -2.176 -5.180) 8.427 8.996 ( 2.519 -1.690 4.210) 5.189 9.235 ( 2.811 -1.997 2.047) 4.010 9.291 ( 8.610 -6.290 -1.718) 10.800 9.502 ( -3.632 -1.366 1.381) 4.119 9.718 ( 4.830 1.322 -1.270) 5.166 9.935 ( 1.491 1.362 -1.312) 2.408 10.413 ( 2.492 1.364 1.019) 3.018 10.685 ( -1.887 1.569 -0.518) 2.508 10.822 ( -5.708 -0.772 0.594) 5.791 10.944 ( -2.284 4.074 2.838) 5.465 11.037 ( 0.784 2.727 -2.554) 3.818 11.181 ( -1.607 2.894 -2.070) 3.904 11.276 ( -6.233 -3.431 1.704) 7.316 11.449 ( 2.000 5.060 -0.360) 5.452 11.512 ( 6.022 -1.048 0.485) 6.132 11.695 ( 5.216 -0.986 -0.052) 5.309 12.196 ( -1.176 -1.440 0.303) 1.884 12.260 ( 0.503 -2.162 -1.124) 2.488 12.640 ( -0.812 2.777 1.133) 3.107 12.698 ( 1.513 0.362 -0.526) 1.642 13.299 ( -1.276 3.934 0.196) 4.140 13.384 ( 0.117 3.055 -0.423) 3.087 13.519 ( -0.416 -7.656 -0.693) 7.698 13.775 ( 1.534 -5.787 0.942) 6.060 15.823 ( -3.347 -0.218 0.321) 3.369 15.970 ( -0.379 -2.012 -0.420) 2.090 17.461 ( 5.612 -0.758 -0.285) 5.670 17.826 ( -6.343 -3.608 2.326) 7.659 18.015 ( 0.008 5.531 0.228) 5.536 18.126 ( -1.213 5.037 -5.539) 7.584 18.369 ( 5.169 -4.385 3.934) 7.837 18.859 ( -4.969 0.965 -1.964) 5.430 19.061 ( 3.509 -1.695 1.837) 4.308 19.259 ( -2.589 1.101 -0.237) 2.824 19.712 ( 5.177 -6.056 -0.474) 7.981 20.132 ( -7.961 -6.957 0.271) 10.576 21.268 ( 8.744 6.182 -0.104) 10.709 21.762 ( -6.806 7.016 -0.220) 9.777 22.087 ( 1.156 -3.758 1.023) 4.062 22.143 ( 0.473 1.480 -0.242) 1.573 22.301 ( -1.147 0.694 -0.235) 1.361 22.664 ( 1.438 -2.584 -1.331) 3.243 22.820 ( -1.979 6.610 1.283) 7.018 23.030 ( 2.623 -4.954 -0.222) 5.610 23.325 ( -0.800 -0.857 -0.198) 1.189 23.436 ( 2.964 -3.604 0.221) 4.671 ======================= Grid point 19 (14/102) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -4.746 16.106 0.806) 16.810 1.379 ( -5.832 9.831 0.809) 11.459 1.668 ( -3.109 9.438 0.589) 9.954 1.874 ( -2.025 8.913 -0.426) 9.150 2.145 ( -4.039 10.715 1.244) 11.518 2.289 ( 0.399 8.482 -2.358) 8.813 2.382 ( -1.501 12.457 -3.576) 13.046 2.453 ( -3.392 -8.207 -1.361) 8.984 2.495 ( -6.960 13.263 4.220) 15.561 2.730 ( -0.317 -3.007 2.349) 3.829 2.838 ( 0.020 -3.216 -1.440) 3.524 2.966 ( 0.357 -0.035 -2.792) 2.815 3.099 ( -2.720 5.780 2.980) 7.049 3.156 ( -2.005 5.589 1.878) 6.228 3.268 ( 4.668 -4.249 -2.163) 6.672 3.353 ( 0.661 -3.737 1.202) 3.981 3.384 ( 2.057 0.302 -2.308) 3.106 3.418 ( 0.231 0.498 -0.141) 0.567 3.512 ( 4.123 0.850 -0.202) 4.214 3.682 ( 3.647 -3.231 4.158) 6.406 3.719 ( 0.819 -2.784 -2.267) 3.682 3.868 ( 1.094 0.495 3.032) 3.261 3.910 ( 3.257 -4.257 -5.205) 7.472 4.003 ( -2.312 1.022 -2.165) 3.328 4.090 ( -1.593 -0.327 3.050) 3.456 4.153 ( -1.639 -0.626 -0.779) 1.920 4.347 ( 1.251 -1.461 5.301) 5.639 4.541 ( -0.364 -0.692 -1.621) 1.800 4.582 ( -6.123 -2.527 -1.894) 6.889 4.799 ( 1.012 3.050 -1.202) 3.431 4.896 ( -0.065 -0.281 1.793) 1.816 4.931 ( 0.700 -0.513 -3.160) 3.277 5.188 ( 2.822 -0.923 1.475) 3.315 5.258 ( 4.861 -0.268 -1.134) 4.999 5.307 ( 4.153 -0.264 0.946) 4.268 5.370 ( 0.507 -0.196 -0.130) 0.559 5.579 ( -3.826 2.191 2.719) 5.180 5.652 ( 0.327 1.350 -1.481) 2.031 5.698 ( -0.487 1.302 0.131) 1.396 5.880 ( -1.987 3.220 4.164) 5.626 6.030 ( 0.236 -3.137 -6.504) 7.225 6.272 ( -1.896 3.462 -1.828) 4.350 6.340 ( -4.760 2.359 2.182) 5.743 6.408 ( -7.694 5.626 2.219) 9.786 6.651 ( 4.632 2.501 -1.466) 5.464 6.892 ( -4.427 2.503 0.661) 5.129 6.964 ( -10.138 -6.198 0.011) 11.883 7.197 ( -3.054 5.086 -0.641) 5.967 7.320 ( -5.856 -4.852 1.357) 7.725 7.503 ( -1.775 -4.959 -0.348) 5.279 7.937 ( -7.225 -1.128 -0.082) 7.313 8.091 ( 2.875 -0.721 0.473) 3.002 8.150 ( -2.214 -2.869 1.797) 4.044 8.296 ( -0.180 2.599 -2.263) 3.450 8.419 ( 0.184 -6.686 1.206) 6.796 8.796 ( 4.233 -1.662 -2.118) 5.017 9.062 ( 2.446 -2.355 1.316) 3.642 9.281 ( 5.325 1.441 0.207) 5.521 9.452 ( 5.963 -5.312 -2.153) 8.271 9.516 ( -1.679 -1.514 2.100) 3.085 9.736 ( 1.478 -1.249 -1.093) 2.222 9.940 ( -0.656 -1.407 0.602) 1.665 10.398 ( 4.101 2.863 -0.071) 5.002 10.611 ( -3.997 4.911 0.893) 6.394 10.766 ( -6.235 0.683 -0.687) 6.310 10.879 ( -1.217 1.074 3.481) 3.841 11.001 ( 1.365 1.156 -2.168) 2.811 11.121 ( 0.847 2.428 -2.880) 3.861 11.302 ( -6.153 -3.095 1.761) 7.109 11.400 ( -0.818 0.267 0.006) 0.861 11.581 ( 3.960 -1.704 0.226) 4.317 11.742 ( 1.050 -0.789 -0.372) 1.365 12.243 ( -2.201 -4.888 0.284) 5.368 12.329 ( 2.273 -4.791 -1.350) 5.472 12.583 ( -1.310 2.746 1.243) 3.286 12.692 ( 0.922 1.228 -0.302) 1.565 13.229 ( -0.427 2.877 0.048) 2.909 13.327 ( 0.446 2.981 0.110) 3.016 13.669 ( -0.324 -9.097 -0.840) 9.142 13.912 ( 2.805 -6.839 0.567) 7.414 15.802 ( -3.935 -0.254 1.108) 4.096 16.008 ( -0.174 -2.343 -1.116) 2.601 17.518 ( 8.678 0.715 -1.293) 8.803 17.809 ( -1.943 3.728 3.855) 5.704 17.887 ( -1.956 6.950 0.745) 7.258 18.038 ( -8.123 -1.487 -4.274) 9.299 18.561 ( 6.271 -11.277 2.617) 13.166 18.856 ( -5.566 -5.414 -2.126) 8.051 19.120 ( 1.236 -1.906 -0.984) 2.476 19.256 ( -3.643 -3.872 1.963) 5.667 19.903 ( 7.959 -9.449 -0.533) 12.366 20.214 ( -5.378 -7.620 0.255) 9.330 21.204 ( 8.373 8.091 -0.412) 11.651 21.544 ( -10.076 10.088 0.342) 14.262 22.099 ( 0.347 3.363 1.113) 3.559 22.130 ( -0.478 1.435 -0.141) 1.519 22.288 ( -0.041 -0.990 -0.618) 1.168 22.675 ( 0.462 7.203 -3.720) 8.120 22.738 ( 0.433 -3.300 3.041) 4.509 23.116 ( 2.055 -2.518 0.533) 3.293 23.328 ( 0.961 0.621 -0.601) 1.292 23.521 ( 4.846 -2.473 0.493) 5.463 ======================= Grid point 20 (15/102) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -5.155 18.619 -0.426) 19.324 1.136 ( -2.614 4.844 -0.289) 5.512 1.441 ( -3.129 16.115 -1.688) 16.503 1.733 ( 0.519 5.871 2.702) 6.484 1.914 ( -2.100 12.324 5.654) 13.721 2.024 ( -6.080 15.310 -7.982) 18.304 2.060 ( -3.394 24.948 1.198) 25.206 2.179 ( -4.246 8.725 1.452) 9.812 2.674 ( 0.651 -12.902 -1.619) 13.019 2.739 ( 1.504 2.794 0.751) 3.261 2.866 ( -1.194 1.647 -0.842) 2.202 2.917 ( -2.890 4.013 -1.729) 5.239 2.946 ( -2.995 5.880 3.591) 7.513 3.069 ( 0.811 5.280 -0.633) 5.379 3.314 ( 2.742 2.312 1.585) 3.921 3.366 ( -1.282 2.347 -0.683) 2.760 3.400 ( 0.806 -1.838 -0.015) 2.007 3.429 ( 2.607 -1.879 -1.271) 3.455 3.536 ( -0.412 -1.079 0.447) 1.239 3.732 ( 1.318 -1.120 1.228) 2.121 3.812 ( 3.318 -2.078 -0.007) 3.915 3.874 ( 1.139 0.795 0.907) 1.659 3.979 ( -0.266 -2.735 -2.168) 3.500 4.028 ( 0.106 -6.975 -2.271) 7.336 4.135 ( 5.415 -3.513 0.007) 6.455 4.195 ( -3.106 -5.806 1.552) 6.765 4.399 ( 4.728 0.188 1.214) 4.885 4.499 ( -5.307 0.668 0.915) 5.426 4.619 ( -2.960 -4.347 -1.340) 5.427 4.727 ( -3.410 3.161 -0.353) 4.663 4.890 ( 4.401 1.048 0.246) 4.531 4.962 ( -2.067 -3.155 -0.891) 3.876 5.235 ( 3.077 -0.035 -0.255) 3.088 5.277 ( 5.619 1.452 -0.834) 5.863 5.289 ( -0.067 4.865 2.221) 5.349 5.422 ( 2.533 -3.306 0.486) 4.193 5.485 ( -6.373 2.298 0.948) 6.840 5.605 ( 2.559 2.853 -0.252) 3.841 5.729 ( -2.593 -4.144 -0.733) 4.943 5.818 ( 0.796 3.391 0.519) 3.522 6.047 ( -4.367 -0.251 -2.476) 5.027 6.153 ( -0.422 5.884 -0.393) 5.912 6.267 ( -1.153 3.153 0.215) 3.364 6.346 ( -6.052 -2.057 2.166) 6.749 6.679 ( 7.725 1.144 -6.104) 9.911 6.810 ( -7.128 -1.099 5.351) 8.980 7.033 ( -6.234 -6.326 1.470) 9.002 7.099 ( -2.046 3.216 -1.826) 4.227 7.366 ( -5.500 -4.714 1.183) 7.340 7.574 ( -0.589 -3.863 -0.171) 3.912 7.907 ( -4.662 -0.206 0.177) 4.670 8.148 ( 2.643 -3.367 0.536) 4.314 8.186 ( 0.137 -1.156 2.415) 2.681 8.245 ( -2.615 1.211 -4.127) 5.034 8.536 ( -0.010 -5.557 1.743) 5.824 8.873 ( 2.720 -4.831 -0.506) 5.567 9.107 ( 0.442 -1.172 0.254) 1.278 9.240 ( 2.082 6.257 -0.303) 6.601 9.519 ( 1.198 1.718 0.168) 2.101 9.557 ( 1.845 -3.278 -0.461) 3.789 9.767 ( -2.416 -2.558 -0.847) 3.619 9.950 ( -1.167 1.211 1.607) 2.327 10.412 ( 5.145 -1.433 -0.252) 5.347 10.498 ( -6.135 0.696 0.313) 6.182 10.728 ( -1.077 0.568 -0.022) 1.218 10.902 ( 1.299 -2.411 -1.155) 2.972 10.993 ( -0.678 0.435 1.424) 1.636 11.108 ( 3.055 -0.139 -0.890) 3.185 11.301 ( -3.711 -0.994 0.619) 3.892 11.415 ( -1.181 -1.797 0.006) 2.150 11.617 ( 1.048 0.007 -0.644) 1.230 11.729 ( -2.520 1.008 0.154) 2.719 12.326 ( -2.449 -6.003 -0.741) 6.525 12.452 ( 2.183 -6.568 0.174) 6.924 12.537 ( -1.201 1.273 0.525) 1.827 12.666 ( 0.721 2.214 -0.113) 2.332 13.192 ( 0.152 1.135 0.078) 1.148 13.287 ( 0.556 1.990 0.028) 2.066 13.827 ( -0.278 -8.731 -0.365) 8.743 14.053 ( 2.221 -6.478 0.079) 6.849 15.777 ( -3.640 0.226 1.390) 3.903 16.042 ( -0.530 -1.971 -1.258) 2.398 17.507 ( 3.975 6.782 -2.072) 8.129 17.693 ( 0.007 7.877 0.762) 7.914 17.813 ( 8.313 2.384 3.084) 9.182 18.033 ( -15.612 -7.350 -1.221) 17.299 18.859 ( 6.747 -14.885 1.098) 16.380 18.954 ( -4.316 -10.085 -0.506) 10.981 19.143 ( -2.278 -2.459 -2.868) 4.411 19.353 ( -1.829 -8.017 2.166) 8.503 20.141 ( 5.178 -10.544 -0.224) 11.749 20.333 ( 0.108 -8.122 -0.218) 8.126 21.092 ( 7.686 11.534 -0.611) 13.874 21.257 ( -12.095 12.146 1.152) 17.180 22.022 ( 0.131 7.199 -0.312) 7.206 22.042 ( -0.920 4.876 -0.083) 4.963 22.327 ( 0.266 -2.289 0.220) 2.315 22.546 ( -0.302 6.062 -0.506) 6.090 22.810 ( 1.403 -3.055 -0.118) 3.364 23.152 ( 1.159 -0.069 0.737) 1.375 23.308 ( 1.139 2.557 -0.739) 2.895 23.596 ( 4.906 -1.589 0.764) 5.213 ======================= Grid point 21 (16/102) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 20.577 0.000) 20.577 1.038 ( 0.000 25.626 0.000) 25.626 1.154 ( -0.000 -4.300 -0.000) 4.300 1.462 ( 0.000 33.737 0.000) 33.737 1.546 ( 0.000 16.121 0.000) 16.121 1.758 ( 0.000 9.784 0.000) 9.784 1.806 ( 0.000 2.585 0.000) 2.585 2.073 ( 0.000 1.582 0.000) 1.582 2.695 ( 0.000 4.183 0.000) 4.183 2.751 ( 0.000 7.282 0.000) 7.282 2.756 ( 0.000 8.086 0.000) 8.086 2.794 ( 0.000 4.843 0.000) 4.843 2.968 ( -0.000 -9.623 -0.000) 9.623 2.981 ( 0.000 4.444 0.000) 4.444 3.296 ( 0.000 3.263 0.000) 3.263 3.319 ( -0.000 -1.395 -0.000) 1.395 3.405 ( 0.000 0.101 0.000) 0.101 3.495 ( -0.000 -2.290 -0.000) 2.290 3.533 ( 0.000 0.915 0.000) 0.915 3.754 ( 0.000 1.333 0.000) 1.333 3.835 ( -0.000 -2.021 -0.000) 2.021 3.866 ( 0.000 0.255 0.000) 0.255 4.016 ( -0.000 -1.117 -0.000) 1.117 4.170 ( -0.000 -6.905 -0.000) 6.905 4.232 ( 0.000 3.054 0.000) 3.054 4.306 ( -0.000 -8.153 -0.000) 8.153 4.369 ( -0.000 -3.318 -0.000) 3.318 4.555 ( -0.000 -6.891 -0.000) 6.891 4.654 ( -0.000 -1.168 -0.000) 1.168 4.709 ( -0.000 -3.239 -0.000) 3.239 4.905 ( 0.000 0.205 0.000) 0.205 5.013 ( -0.000 -3.139 -0.000) 3.139 5.155 ( 0.000 5.162 0.000) 5.162 5.239 ( 0.000 2.760 0.000) 2.760 5.306 ( -0.000 -0.661 -0.000) 0.661 5.400 ( 0.000 3.453 0.000) 3.453 5.488 ( -0.000 -1.745 -0.000) 1.745 5.627 ( -0.000 -3.204 -0.000) 3.204 5.760 ( 0.000 0.143 0.000) 0.143 5.777 ( 0.000 1.530 0.000) 1.530 5.959 ( 0.000 4.113 0.000) 4.113 6.102 ( 0.000 2.277 0.000) 2.277 6.211 ( 0.000 2.620 0.000) 2.620 6.354 ( -0.000 -0.946 -0.000) 0.946 6.679 ( -0.000 -0.362 -0.000) 0.362 6.845 ( -0.000 -2.162 -0.000) 2.162 7.050 ( 0.000 0.357 0.000) 0.357 7.100 ( -0.000 -3.348 -0.000) 3.348 7.420 ( -0.000 -3.786 -0.000) 3.786 7.625 ( -0.000 -2.269 -0.000) 2.269 7.872 ( 0.000 2.166 0.000) 2.166 8.189 ( 0.000 1.331 0.000) 1.331 8.205 ( -0.000 -0.226 -0.000) 0.226 8.271 ( -0.000 -7.769 -0.000) 7.769 8.619 ( -0.000 -3.285 -0.000) 3.285 9.002 ( -0.000 -7.325 -0.000) 7.325 9.104 ( 0.000 8.509 0.000) 8.509 9.121 ( -0.000 -0.870 -0.000) 0.870 9.452 ( 0.000 6.214 0.000) 6.214 9.589 ( 0.000 0.254 0.000) 0.254 9.810 ( -0.000 -3.978 -0.000) 3.978 9.885 ( 0.000 4.194 0.000) 4.194 10.454 ( -0.000 -3.343 -0.000) 3.343 10.603 ( -0.000 -10.785 -0.000) 10.785 10.730 ( -0.000 -1.381 -0.000) 1.381 10.944 ( -0.000 -1.098 -0.000) 1.098 10.977 ( 0.000 0.611 0.000) 0.611 11.150 ( -0.000 -1.867 -0.000) 1.867 11.276 ( 0.000 2.823 0.000) 2.823 11.433 ( -0.000 -0.820 -0.000) 0.820 11.589 ( 0.000 2.335 0.000) 2.335 11.708 ( 0.000 0.065 0.000) 0.065 12.413 ( -0.000 -4.959 -0.000) 4.959 12.531 ( -0.000 -1.290 -0.000) 1.290 12.567 ( -0.000 -3.186 -0.000) 3.186 12.637 ( -0.000 -0.340 -0.000) 0.340 13.188 ( -0.000 -0.456 -0.000) 0.456 13.259 ( 0.000 1.484 0.000) 1.484 13.967 ( -0.000 -6.683 -0.000) 6.683 14.170 ( -0.000 -5.353 -0.000) 5.353 15.752 ( 0.000 0.736 0.000) 0.736 16.067 ( -0.000 -1.351 -0.000) 1.351 17.366 ( 0.000 8.517 0.000) 8.517 17.564 ( 0.000 6.082 0.000) 6.082 17.865 ( 0.000 0.093 0.000) 0.093 18.078 ( -0.000 -6.811 -0.000) 6.811 19.062 ( -0.000 -5.303 -0.000) 5.303 19.203 ( -0.000 -7.516 -0.000) 7.516 19.231 ( -0.000 -19.149 -0.000) 19.149 19.511 ( -0.000 -9.949 -0.000) 9.949 20.309 ( -0.000 -4.433 -0.000) 4.433 20.499 ( -0.000 -7.848 -0.000) 7.848 20.855 ( 0.000 14.668 0.000) 14.668 21.014 ( 0.000 9.749 0.000) 9.749 21.855 ( 0.000 9.785 0.000) 9.785 21.962 ( 0.000 4.276 0.000) 4.276 22.353 ( -0.000 -0.144 -0.000) 0.144 22.462 ( 0.000 2.960 0.000) 2.960 22.858 ( -0.000 -1.443 -0.000) 1.443 23.144 ( 0.000 1.328 0.000) 1.328 23.250 ( 0.000 4.088 0.000) 4.088 23.647 ( -0.000 -1.249 -0.000) 1.249 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 23.155 0.000 0.659) 23.165 0.796 ( 25.130 0.000 -0.333) 25.132 1.271 ( 11.453 0.000 -9.179) 14.677 1.311 ( 13.475 0.000 -0.467) 13.484 1.504 ( 45.198 0.000 2.308) 45.257 1.905 ( 5.665 0.000 7.247) 9.199 2.149 ( 15.298 0.000 8.200) 17.357 2.394 ( 6.203 0.000 -7.191) 9.497 2.539 ( 2.457 0.000 -0.740) 2.566 2.546 ( 3.757 0.000 -3.422) 5.082 2.748 ( 6.183 0.000 -7.090) 9.407 2.769 ( 2.313 0.000 5.340) 5.819 2.941 ( -7.700 -0.000 0.450) 7.713 3.002 ( 2.065 0.000 1.178) 2.377 3.293 ( -11.265 -0.000 5.195) 12.405 3.330 ( -4.247 -0.000 -3.668) 5.612 3.427 ( 4.080 0.000 0.372) 4.097 3.475 ( 1.385 0.000 1.404) 1.972 3.564 ( 0.243 0.000 1.662) 1.679 3.753 ( -2.709 -0.000 -2.706) 3.830 3.768 ( 2.583 0.000 -6.077) 6.603 3.858 ( -1.971 -0.000 3.292) 3.837 3.885 ( 1.641 0.000 -3.535) 3.897 4.040 ( -0.729 -0.000 1.036) 1.267 4.214 ( -2.053 -0.000 4.218) 4.691 4.406 ( -8.226 -0.000 3.396) 8.900 4.549 ( -3.934 -0.000 -2.737) 4.793 4.664 ( -6.632 -0.000 0.691) 6.668 4.816 ( -7.989 -0.000 -4.981) 9.414 4.854 ( -2.091 -0.000 0.891) 2.273 4.934 ( 4.385 0.000 -2.437) 5.017 4.942 ( 1.223 0.000 -2.018) 2.360 5.071 ( -10.045 -0.000 7.509) 12.541 5.085 ( 9.271 0.000 -2.394) 9.575 5.177 ( -4.675 -0.000 -1.877) 5.037 5.259 ( -0.442 -0.000 -2.313) 2.354 5.382 ( -1.940 -0.000 -3.828) 4.291 5.394 ( -11.597 -0.000 0.236) 11.600 5.611 ( -7.545 -0.000 5.163) 9.143 5.953 ( 0.608 0.000 4.566) 4.606 5.977 ( -0.817 -0.000 -0.478) 0.947 6.139 ( 2.460 0.000 -4.075) 4.760 6.492 ( -6.998 -0.000 -2.824) 7.546 6.661 ( -5.524 -0.000 2.697) 6.147 6.697 ( 15.248 0.000 -3.601) 15.668 6.882 ( 7.527 0.000 -1.744) 7.727 7.144 ( -0.928 -0.000 8.969) 9.017 7.235 ( 1.949 0.000 -1.185) 2.281 7.495 ( 16.572 0.000 -6.821) 17.921 7.969 ( 10.920 0.000 -1.642) 11.043 8.126 ( 2.578 0.000 2.190) 3.383 8.150 ( 4.646 0.000 -12.006) 12.873 8.314 ( -5.042 -0.000 -2.957) 5.845 8.479 ( -16.447 -0.000 25.292) 30.169 8.779 ( -14.921 -0.000 6.275) 16.187 8.866 ( 7.337 0.000 -9.596) 12.080 9.104 ( 3.264 0.000 8.291) 8.911 9.106 ( -0.371 -0.000 -1.481) 1.527 9.502 ( 11.025 0.000 -6.560) 12.829 9.961 ( 4.694 0.000 6.356) 7.901 10.063 ( 9.239 0.000 -3.030) 9.724 10.416 ( -18.923 -0.000 10.469) 21.626 10.419 ( -10.679 -0.000 -14.611) 18.098 10.670 ( 5.620 0.000 -8.735) 10.387 10.739 ( -0.628 -0.000 -2.342) 2.425 10.755 ( -6.325 -0.000 2.345) 6.746 11.191 ( 6.448 0.000 -1.032) 6.530 11.229 ( 4.904 0.000 -0.346) 4.916 11.246 ( 9.669 0.000 -24.728) 26.551 11.384 ( 4.602 0.000 7.369) 8.688 11.649 ( 10.061 0.000 0.441) 10.070 11.883 ( 7.629 0.000 3.094) 8.232 12.353 ( -7.080 -0.000 2.519) 7.514 12.489 ( -6.669 -0.000 -0.060) 6.670 12.943 ( 14.268 0.000 0.782) 14.289 13.098 ( -1.560 -0.000 -1.752) 2.346 13.221 ( 3.444 0.000 -1.558) 3.780 13.415 ( 9.117 0.000 -2.096) 9.355 14.013 ( -4.392 -0.000 -0.054) 4.392 14.051 ( -3.766 -0.000 0.630) 3.819 16.084 ( -4.426 -0.000 -22.617) 23.046 16.177 ( -5.841 -0.000 12.438) 13.742 17.293 ( 7.642 0.000 -1.650) 7.818 17.524 ( 5.279 0.000 -2.917) 6.032 18.040 ( 8.421 0.000 0.565) 8.440 18.355 ( 5.443 0.000 -9.952) 11.343 19.033 ( -17.048 -0.000 8.237) 18.934 19.140 ( -13.679 -0.000 -1.582) 13.770 19.800 ( 3.761 0.000 -4.306) 5.718 19.942 ( 3.438 0.000 8.130) 8.827 20.333 ( 8.176 0.000 2.925) 8.683 20.776 ( 1.546 0.000 -1.691) 2.291 20.795 ( 1.623 0.000 -1.257) 2.053 21.515 ( 19.645 0.000 -49.691) 53.433 21.777 ( -11.191 -0.000 30.229) 32.234 21.914 ( 1.683 0.000 4.931) 5.210 21.975 ( 5.980 0.000 -0.415) 5.995 22.372 ( 2.264 0.000 -0.703) 2.370 22.420 ( -0.384 -0.000 0.928) 1.005 22.783 ( -7.518 -0.000 3.665) 8.363 23.055 ( -3.771 -0.000 -0.413) 3.794 23.080 ( -4.591 -0.000 0.578) 4.627 ======================= Grid point 25 (18/102) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 18.176 -8.279 3.662) 20.306 1.100 ( 20.775 -11.951 -0.323) 23.970 1.324 ( 8.648 1.379 -1.013) 8.816 1.537 ( 14.780 -10.532 -4.527) 18.705 1.899 ( 31.754 -5.491 -1.135) 32.246 1.947 ( 14.638 -0.977 3.723) 15.135 2.267 ( 12.113 -0.168 5.609) 13.350 2.368 ( 3.788 4.421 -7.788) 9.723 2.591 ( 1.901 -4.474 -0.490) 4.886 2.643 ( 0.354 -7.762 1.271) 7.874 2.725 ( -1.480 0.888 0.483) 1.792 2.870 ( 8.565 -4.523 -2.828) 10.091 2.925 ( -0.883 -1.298 1.853) 2.429 3.042 ( -0.543 -1.834 2.138) 2.869 3.200 ( -9.035 1.430 4.118) 10.032 3.277 ( -4.383 1.888 -2.697) 5.482 3.429 ( 3.525 2.542 0.581) 4.385 3.491 ( 0.017 1.917 -1.990) 2.763 3.560 ( -3.727 -2.910 3.790) 6.060 3.698 ( 0.227 2.055 -2.198) 3.018 3.806 ( -2.562 -0.186 -1.962) 3.232 3.836 ( 1.283 -0.403 -2.721) 3.035 3.911 ( 1.478 -0.613 -0.828) 1.801 3.973 ( -2.786 5.786 -0.481) 6.440 4.164 ( -3.406 4.378 5.741) 7.982 4.341 ( -2.864 1.751 0.949) 3.488 4.559 ( -5.207 -3.795 -0.522) 6.465 4.617 ( -3.664 1.945 0.549) 4.184 4.673 ( -5.199 5.044 -4.608) 8.585 4.756 ( 2.006 3.211 -2.890) 4.763 4.889 ( -1.756 2.279 1.207) 3.120 4.964 ( -9.789 3.080 4.916) 11.379 5.099 ( 0.687 -6.187 0.060) 6.225 5.159 ( -0.425 -1.571 0.280) 1.651 5.212 ( 0.656 -0.487 -1.905) 2.073 5.255 ( -0.566 -0.363 -1.344) 1.503 5.306 ( -7.037 -4.992 0.550) 8.646 5.383 ( -4.968 -2.551 -4.477) 7.158 5.578 ( -7.466 -1.359 3.634) 8.414 5.947 ( 3.367 2.661 2.162) 4.806 6.005 ( -0.329 -3.141 -0.413) 3.185 6.168 ( 1.412 -1.660 -0.199) 2.189 6.436 ( 0.443 0.009 -2.381) 2.422 6.580 ( -5.478 2.718 -0.652) 6.150 6.788 ( 13.403 2.238 1.163) 13.638 6.951 ( 6.999 -1.693 -3.536) 8.022 7.136 ( 1.285 1.119 3.893) 4.249 7.283 ( -0.919 -3.043 2.908) 4.308 7.604 ( 9.449 -1.412 -5.229) 10.891 8.047 ( 4.565 1.491 2.900) 5.610 8.138 ( 0.636 0.653 -7.936) 7.988 8.156 ( 6.967 1.972 -1.861) 7.476 8.245 ( -5.224 1.613 0.328) 5.477 8.382 ( -5.436 1.654 11.985) 13.264 8.665 ( -9.877 1.857 3.132) 10.527 8.805 ( -5.893 5.927 -3.103) 8.915 9.096 ( 5.442 1.345 2.963) 6.340 9.202 ( -0.193 -3.360 1.848) 3.840 9.567 ( 10.047 0.154 -7.326) 12.435 9.922 ( -0.427 13.112 2.820) 13.419 10.044 ( 9.200 4.073 -6.031) 11.730 10.192 ( -0.288 7.160 -2.284) 7.521 10.370 ( -13.542 -2.356 3.534) 14.193 10.628 ( 0.435 6.202 3.346) 7.060 10.689 ( 1.244 -0.189 -8.429) 8.523 10.757 ( -0.796 -0.411 2.571) 2.723 11.097 ( 6.346 6.381 0.192) 9.002 11.192 ( 9.370 3.884 -7.291) 12.491 11.417 ( 5.931 -7.514 -0.140) 9.574 11.573 ( 4.008 -8.609 0.878) 9.536 11.701 ( 9.589 2.500 0.322) 9.915 11.909 ( 2.459 1.985 1.457) 3.480 12.325 ( -5.399 -1.103 1.107) 5.620 12.440 ( -5.154 0.153 0.070) 5.157 13.000 ( 12.878 5.006 1.867) 13.942 13.056 ( 2.065 3.556 -2.421) 4.772 13.193 ( 2.964 4.792 -0.558) 5.663 13.323 ( 9.278 12.270 -0.153) 15.383 13.984 ( -7.501 0.386 0.218) 7.514 14.009 ( -4.070 2.206 0.203) 4.634 15.948 ( -5.269 3.446 -8.628) 10.681 16.157 ( -9.017 0.246 6.107) 10.894 17.301 ( 8.677 4.334 -0.274) 9.703 17.587 ( 5.065 -2.665 -2.345) 6.185 17.868 ( 12.811 10.606 0.946) 16.658 18.554 ( 3.563 -4.965 -5.011) 7.903 18.901 ( -10.898 2.277 3.164) 11.574 19.195 ( -17.062 -12.986 -0.785) 21.456 19.709 ( 1.141 10.049 -4.023) 10.884 19.849 ( -1.931 9.471 3.329) 10.223 20.157 ( 11.706 24.840 4.916) 27.896 20.562 ( 2.446 15.919 -0.023) 16.106 20.979 ( 4.618 -11.712 -1.414) 12.669 21.372 ( 18.170 4.527 -12.988) 22.789 21.782 ( -1.017 -7.293 10.003) 12.421 21.948 ( 2.955 -1.114 0.464) 3.192 22.371 ( 2.123 0.555 -2.342) 3.210 22.437 ( -0.359 -2.505 0.513) 2.582 22.539 ( -9.514 -27.172 -4.900) 29.204 22.760 ( -8.971 -3.872 3.766) 10.472 23.026 ( -4.744 -0.610 -1.260) 4.946 23.088 ( -5.419 -4.386 1.810) 7.202 ======================= Grid point 26 (19/102) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 9.242 -10.838 6.435) 15.630 1.349 ( 7.448 0.275 2.035) 7.726 1.476 ( 14.705 -14.074 1.911) 20.445 1.786 ( 12.989 -5.177 -10.029) 17.207 2.052 ( 13.011 -4.955 -1.842) 14.044 2.186 ( 7.199 -0.391 -4.559) 8.530 2.359 ( 7.625 -1.858 4.131) 8.869 2.441 ( 18.160 -8.962 -4.530) 20.751 2.678 ( 1.466 -2.331 1.205) 3.006 2.705 ( -3.986 -0.199 5.142) 6.509 2.775 ( -6.049 -6.483 3.267) 9.450 2.927 ( -0.074 2.447 3.999) 4.689 3.007 ( 3.284 -3.495 1.169) 4.936 3.089 ( 1.221 -7.020 -5.259) 8.856 3.166 ( -0.664 0.462 1.628) 1.818 3.208 ( -1.930 0.706 -1.183) 2.371 3.397 ( -1.266 2.385 -0.677) 2.783 3.423 ( 1.964 4.845 0.179) 5.231 3.573 ( -5.548 -1.430 -2.436) 6.225 3.685 ( 3.574 1.138 -0.080) 3.752 3.740 ( -4.460 2.233 1.289) 5.152 3.828 ( -2.323 5.416 -0.236) 5.898 3.864 ( 0.130 0.689 -3.383) 3.455 3.945 ( -0.123 -3.797 1.232) 3.994 4.074 ( -2.116 3.847 3.894) 5.868 4.267 ( -2.548 4.329 0.200) 5.027 4.461 ( -2.960 6.941 -1.328) 7.662 4.605 ( -3.381 0.493 -1.635) 3.788 4.655 ( 2.012 -3.693 -0.864) 4.293 4.743 ( -6.106 -1.491 -0.053) 6.286 4.851 ( -4.308 0.906 2.629) 5.127 4.887 ( 1.179 -0.382 0.006) 1.240 5.078 ( -6.138 3.713 0.452) 7.188 5.109 ( -6.490 0.985 0.256) 6.570 5.193 ( -2.476 -0.985 -0.659) 2.745 5.321 ( 0.687 -2.198 -2.476) 3.381 5.405 ( -0.416 -7.535 0.103) 7.547 5.457 ( 0.047 -7.902 -2.416) 8.264 5.566 ( -5.274 -2.422 2.892) 6.485 5.929 ( 4.133 2.681 0.250) 4.932 6.049 ( -1.614 -1.708 0.693) 2.450 6.222 ( 2.865 -2.705 1.505) 4.218 6.469 ( -2.994 -1.005 -1.463) 3.481 6.548 ( 7.504 -2.463 -2.092) 8.170 6.834 ( 11.222 3.085 2.011) 11.811 7.010 ( 3.924 -0.866 -4.075) 5.723 7.139 ( 1.532 0.648 1.219) 2.062 7.336 ( -0.735 -2.706 4.961) 5.698 7.641 ( 2.344 1.454 -3.118) 4.162 7.910 ( -1.572 12.886 2.132) 13.156 8.078 ( -2.751 4.020 -2.581) 5.513 8.111 ( -2.048 1.915 1.998) 3.443 8.293 ( 4.885 -2.676 1.657) 5.812 8.420 ( 3.072 -3.253 -3.031) 5.404 8.600 ( -4.255 -0.410 1.340) 4.479 8.625 ( -8.781 6.615 1.297) 11.070 9.076 ( 1.849 4.591 2.601) 5.592 9.214 ( -2.626 0.916 0.390) 2.808 9.564 ( 2.801 9.415 -9.558) 13.706 9.682 ( 4.860 6.543 0.642) 8.176 9.934 ( -4.614 10.091 2.463) 11.366 10.153 ( 9.816 2.007 -5.289) 11.330 10.353 ( -4.385 -1.427 5.188) 6.941 10.578 ( -1.587 -1.125 -0.151) 1.951 10.697 ( 1.848 -0.894 1.281) 2.420 10.771 ( 3.215 -0.126 -1.472) 3.539 11.060 ( 5.719 3.333 0.987) 6.692 11.205 ( 6.864 1.035 -2.955) 7.544 11.568 ( 8.252 -3.398 -0.593) 8.944 11.697 ( 8.814 4.295 1.752) 9.960 11.729 ( 5.665 -2.929 -0.099) 6.378 11.852 ( -0.651 5.021 0.128) 5.065 12.304 ( -4.306 -0.407 -0.030) 4.325 12.410 ( -2.892 0.275 0.532) 2.953 12.918 ( 12.797 12.854 -0.478) 18.144 13.032 ( 11.570 7.530 0.234) 13.806 13.153 ( -0.525 0.389 0.287) 0.714 13.185 ( -1.307 3.703 0.047) 3.927 13.883 ( -7.572 5.589 -0.552) 9.427 13.908 ( -5.904 3.190 0.918) 6.773 15.867 ( -5.086 0.152 -3.427) 6.135 16.069 ( -8.623 2.555 2.846) 9.433 17.307 ( 5.819 0.812 0.031) 5.875 17.660 ( 2.107 -2.410 -1.323) 3.463 17.886 ( 13.895 0.977 0.887) 13.957 18.551 ( 2.022 4.726 -1.701) 5.414 18.783 ( -7.377 4.383 1.588) 8.727 19.226 ( -6.699 0.977 1.246) 6.884 19.489 ( -1.008 11.758 -4.444) 12.610 19.687 ( -0.916 7.865 -0.132) 7.919 19.855 ( 1.095 10.836 2.454) 11.164 20.268 ( 2.145 18.348 1.157) 18.509 21.239 ( 6.197 -10.852 1.279) 12.562 21.478 ( 14.430 -2.447 -6.616) 16.062 21.955 ( -0.947 -9.373 6.892) 11.672 21.998 ( 2.532 -2.232 -0.360) 3.394 22.342 ( 0.524 2.798 -2.736) 3.948 22.498 ( 0.687 -4.220 1.515) 4.536 22.691 ( -3.509 -1.064 0.610) 3.717 22.898 ( -12.570 -16.529 -2.339) 20.897 23.003 ( -4.990 -1.486 -2.999) 6.008 23.144 ( -6.481 -5.554 3.165) 9.103 ======================= Grid point 27 (20/102) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 3.903 -6.889 0.022) 7.918 1.536 ( 7.250 -9.839 4.884) 13.161 1.816 ( 7.654 -12.840 4.662) 15.658 1.867 ( 11.753 2.139 -10.787) 16.095 2.156 ( 2.021 -1.494 -2.486) 3.535 2.304 ( 4.514 -7.843 -2.698) 9.442 2.452 ( 3.370 -3.159 1.217) 4.777 2.636 ( 1.121 5.441 5.535) 7.842 2.695 ( -8.464 -1.798 4.123) 9.585 2.705 ( 7.457 -3.430 -0.709) 8.239 2.795 ( -4.664 -1.218 1.082) 4.940 2.933 ( 5.222 -1.808 0.128) 5.527 3.060 ( 2.391 -1.156 3.032) 4.030 3.152 ( -0.718 -0.904 -2.135) 2.427 3.233 ( 2.777 -2.825 -1.587) 4.268 3.259 ( 4.075 -7.437 -4.059) 9.402 3.326 ( 1.563 5.829 -1.954) 6.344 3.359 ( -1.540 1.263 -0.008) 1.992 3.558 ( -3.329 -1.578 -2.251) 4.318 3.665 ( 3.565 4.292 2.294) 6.033 3.697 ( -2.848 -0.038 -0.426) 2.879 3.760 ( -3.021 0.052 -1.698) 3.466 3.826 ( -4.012 0.613 4.860) 6.332 3.943 ( -1.864 3.601 1.604) 4.360 4.118 ( 2.491 -7.025 -1.427) 7.588 4.161 ( -3.175 4.078 -0.619) 5.205 4.334 ( -1.442 4.609 -0.428) 4.849 4.542 ( -5.084 4.670 -0.365) 6.913 4.636 ( -2.958 1.162 1.432) 3.485 4.778 ( -8.118 -4.249 -1.968) 9.372 4.837 ( 0.324 -1.859 3.512) 3.987 4.921 ( 0.749 -0.676 0.812) 1.295 5.017 ( -2.829 -1.630 -4.436) 5.508 5.077 ( 0.419 -0.468 1.538) 1.661 5.184 ( -4.634 -2.504 0.210) 5.271 5.377 ( 2.621 -2.319 -3.215) 4.752 5.499 ( -2.292 -4.426 -0.636) 5.025 5.540 ( -4.160 -3.408 2.540) 5.948 5.664 ( 5.865 -6.309 0.049) 8.614 5.910 ( 1.789 2.252 0.422) 2.907 6.040 ( -2.217 0.651 0.555) 2.376 6.301 ( 3.863 -1.809 3.339) 5.417 6.465 ( -0.328 -2.325 -4.496) 5.073 6.700 ( 9.303 -4.978 -2.085) 10.756 6.858 ( 9.171 2.945 3.527) 10.258 7.012 ( -0.699 1.260 -3.185) 3.496 7.138 ( 1.633 0.958 -0.463) 1.949 7.385 ( 0.368 -0.583 5.883) 5.923 7.563 ( -5.413 5.380 -0.205) 7.635 7.658 ( -0.834 12.736 -2.124) 12.939 7.972 ( -2.601 3.655 -1.927) 4.883 8.085 ( -3.487 0.270 4.058) 5.357 8.333 ( -0.334 1.813 -1.514) 2.386 8.402 ( -3.219 3.523 -4.311) 6.431 8.538 ( 2.302 0.173 0.423) 2.347 8.623 ( -2.290 -3.012 5.241) 6.464 9.004 ( 1.739 4.120 0.874) 4.556 9.160 ( -0.742 2.605 -1.278) 2.995 9.323 ( -2.593 11.379 -2.691) 11.977 9.650 ( -2.474 5.624 -0.801) 6.196 9.768 ( 3.731 3.360 0.265) 5.028 10.156 ( 8.313 4.766 -1.959) 9.781 10.364 ( -0.838 -1.098 2.046) 2.468 10.617 ( -3.866 -4.607 -1.215) 6.136 10.766 ( 3.210 -3.069 2.291) 4.997 10.805 ( 4.987 -1.424 -1.459) 5.387 11.053 ( 4.131 2.045 1.790) 4.945 11.228 ( 2.575 0.099 -1.011) 2.768 11.615 ( 3.159 7.243 -0.272) 7.907 11.669 ( 12.120 5.212 -1.471) 13.275 11.722 ( 0.043 3.335 0.806) 3.431 11.821 ( 8.391 2.359 1.114) 8.787 12.275 ( -3.106 0.574 -0.498) 3.198 12.369 ( -2.155 2.943 0.775) 3.729 12.794 ( 8.816 8.998 -0.273) 12.600 12.901 ( 8.253 12.256 -0.102) 14.776 13.176 ( -3.360 -4.468 -1.038) 5.686 13.217 ( 1.298 -4.627 1.250) 4.966 13.706 ( -6.541 7.253 -0.573) 9.784 13.805 ( -6.316 3.394 0.927) 7.230 15.839 ( -4.040 -1.163 -2.341) 4.811 15.971 ( -7.235 1.927 1.884) 7.721 17.350 ( 4.238 -1.123 0.027) 4.384 17.692 ( -2.539 -1.683 -0.637) 3.112 17.987 ( 10.920 -0.805 0.875) 10.984 18.448 ( 0.676 6.991 -1.923) 7.282 18.641 ( -0.749 7.947 1.798) 8.182 19.122 ( 0.729 6.689 4.142) 7.902 19.297 ( 0.916 8.298 -4.970) 9.716 19.537 ( 6.513 9.823 0.372) 11.792 19.787 ( -13.975 -4.562 -2.586) 14.927 19.963 ( -1.619 14.783 2.639) 15.104 21.422 ( 11.273 -1.459 1.433) 11.457 21.623 ( 6.396 -6.273 -2.579) 9.322 22.052 ( 2.623 -2.809 -5.267) 6.520 22.104 ( -1.966 -5.035 7.066) 8.896 22.276 ( -1.665 2.808 -0.933) 3.395 22.607 ( 0.776 -5.962 3.789) 7.107 22.672 ( -1.890 -0.229 -0.934) 2.121 22.992 ( -3.822 -1.550 -3.509) 5.415 23.068 ( -7.404 -11.565 -2.135) 13.897 23.193 ( -6.566 -4.641 2.994) 8.580 ======================= Grid point 28 (21/102) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.158 -6.841 -3.144) 7.832 1.723 ( 7.015 -5.119 -1.239) 8.772 1.906 ( 6.921 -2.059 -4.298) 8.404 2.046 ( -3.077 -7.673 9.950) 12.936 2.178 ( -0.642 -0.314 -1.930) 2.058 2.399 ( -0.383 -0.008 1.422) 1.473 2.471 ( 0.031 1.207 0.816) 1.457 2.612 ( -4.106 2.465 2.377) 5.347 2.645 ( 6.085 -0.375 -0.682) 6.135 2.697 ( -5.374 -0.066 0.394) 5.389 2.871 ( 3.642 -4.520 -0.358) 5.816 2.977 ( 4.540 -0.055 -3.132) 5.516 3.105 ( 1.536 -0.652 2.134) 2.709 3.160 ( 0.512 2.029 -0.797) 2.239 3.244 ( -0.683 4.825 1.350) 5.056 3.296 ( -1.114 -1.690 -0.814) 2.182 3.329 ( 4.670 -0.370 -4.271) 6.339 3.371 ( -0.945 -3.301 -1.152) 3.622 3.595 ( 1.726 -2.554 -1.265) 3.332 3.598 ( 0.116 3.843 3.372) 5.114 3.699 ( 2.500 -0.959 -2.385) 3.586 3.759 ( -7.370 -4.329 2.161) 8.816 3.784 ( -2.342 1.821 2.036) 3.598 3.941 ( 0.573 -3.806 0.931) 3.960 4.069 ( -3.818 0.891 -1.887) 4.351 4.211 ( -0.880 0.575 -0.337) 1.104 4.309 ( -4.768 -0.852 1.089) 4.965 4.417 ( 0.672 1.282 -3.499) 3.787 4.606 ( -1.826 1.080 0.621) 2.210 4.750 ( -10.758 -2.220 3.032) 11.396 4.873 ( 0.337 -0.899 2.280) 2.474 4.996 ( 3.433 -4.666 1.428) 5.966 5.015 ( -0.455 0.047 -3.018) 3.053 5.124 ( 4.998 -1.789 -1.913) 5.643 5.222 ( -4.180 -3.859 1.261) 5.827 5.419 ( 0.580 -2.649 -4.103) 4.918 5.524 ( -0.307 0.294 0.126) 0.443 5.591 ( -1.221 -3.513 3.050) 4.810 5.792 ( 3.976 -2.563 -2.276) 5.250 5.871 ( -0.022 2.065 2.969) 3.616 6.027 ( 1.053 0.016 -0.446) 1.143 6.342 ( 1.833 0.291 4.106) 4.506 6.527 ( 1.462 -4.500 -6.528) 8.062 6.759 ( 5.159 4.231 -1.755) 6.900 6.881 ( -1.792 5.166 7.149) 9.000 6.977 ( 5.798 -0.956 -4.117) 7.175 7.120 ( -1.124 1.267 -0.305) 1.721 7.305 ( -5.656 6.945 3.615) 9.659 7.416 ( -1.134 8.839 -3.443) 9.553 7.500 ( -3.271 1.791 1.360) 3.970 7.915 ( -1.582 0.302 -2.185) 2.714 8.057 ( -5.808 0.232 5.041) 7.694 8.226 ( -6.780 2.475 -1.535) 7.379 8.358 ( 3.283 4.014 -2.874) 5.928 8.525 ( 3.659 3.963 -3.340) 6.344 8.656 ( -2.959 -1.922 4.695) 5.873 8.979 ( 1.118 0.829 2.142) 2.554 9.137 ( 2.779 -0.024 -0.823) 2.898 9.176 ( 2.048 2.566 -0.716) 3.360 9.516 ( -6.152 3.131 0.402) 6.915 9.788 ( 7.270 1.373 -1.767) 7.607 10.104 ( 6.169 6.420 -0.619) 8.925 10.390 ( -0.047 -1.679 1.125) 2.021 10.660 ( -3.216 -3.375 -2.561) 5.319 10.805 ( 0.784 -0.344 0.862) 1.215 10.910 ( 4.744 -4.002 -0.062) 6.207 11.057 ( 1.599 0.290 2.743) 3.188 11.226 ( -2.776 0.177 -0.561) 2.838 11.435 ( -1.290 10.465 -0.364) 10.550 11.614 ( 7.114 6.814 0.061) 9.851 11.723 ( 9.287 4.333 0.941) 10.291 11.799 ( 7.449 6.463 -0.910) 9.903 12.242 ( -1.402 0.746 -1.189) 1.984 12.276 ( -2.627 4.807 1.247) 5.617 12.735 ( 4.824 3.510 -0.333) 5.975 12.773 ( 2.863 6.388 0.165) 7.002 13.245 ( -2.208 -5.948 -2.178) 6.708 13.331 ( 3.228 -4.682 2.228) 6.108 13.541 ( -4.675 5.930 -0.777) 7.591 13.706 ( -5.271 2.446 1.029) 5.901 15.825 ( -3.008 -0.381 -2.332) 3.825 15.916 ( -4.773 -0.586 1.981) 5.201 17.407 ( 4.294 -1.672 -0.016) 4.608 17.690 ( -6.018 -2.162 -0.020) 6.395 18.066 ( 5.891 -0.659 1.361) 6.082 18.316 ( -1.253 6.162 -3.890) 7.394 18.511 ( 5.391 8.813 2.194) 10.562 19.045 ( 1.614 4.886 7.412) 9.023 19.157 ( 2.660 7.701 -7.191) 10.867 19.451 ( 6.448 6.513 0.071) 9.165 19.651 ( -4.787 6.968 -0.831) 8.494 19.859 ( -13.806 -6.898 0.698) 15.450 21.479 ( 12.950 4.687 0.703) 13.790 21.770 ( 0.581 -6.613 0.155) 6.640 22.079 ( -1.107 2.610 -1.834) 3.376 22.125 ( 0.860 -1.352 -2.851) 3.270 22.264 ( -2.632 -2.378 3.412) 4.922 22.630 ( -2.390 0.581 4.466) 5.098 22.776 ( 2.960 -8.018 -2.660) 8.951 22.974 ( -1.994 0.836 -1.742) 2.777 23.200 ( -4.351 -7.932 -1.247) 9.132 23.240 ( -3.989 -5.243 1.784) 6.825 ======================= Grid point 29 (22/102) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.688 3.808 -2.516) 4.616 1.854 ( 3.898 -0.071 -0.506) 3.931 1.964 ( 1.738 0.387 -7.181) 7.399 2.088 ( -7.900 -2.127 10.780) 13.533 2.123 ( -1.832 4.886 2.585) 5.824 2.374 ( 0.645 2.608 0.836) 2.814 2.431 ( 2.242 0.569 -0.274) 2.329 2.610 ( -0.439 3.722 -4.026) 5.501 2.659 ( -0.876 -6.183 1.330) 6.385 2.700 ( 0.284 -0.599 -0.526) 0.846 2.916 ( 1.097 5.981 1.573) 6.281 3.020 ( -4.195 -1.208 1.397) 4.584 3.071 ( 1.665 3.575 -1.543) 4.235 3.151 ( 4.372 -2.959 -3.181) 6.163 3.169 ( -0.832 -1.462 0.352) 1.718 3.305 ( 1.430 0.069 -0.411) 1.489 3.348 ( 1.992 2.394 -1.872) 3.634 3.406 ( -3.289 -3.170 -0.550) 4.601 3.546 ( -1.822 0.836 2.318) 3.064 3.622 ( 0.746 1.018 2.031) 2.391 3.737 ( 3.422 -0.046 -0.276) 3.433 3.801 ( 5.465 -2.961 -3.545) 7.155 3.829 ( -2.862 -5.169 4.099) 7.191 3.993 ( -5.542 -2.056 0.275) 5.917 4.096 ( 2.403 -4.157 -2.673) 5.495 4.141 ( -3.960 4.238 0.483) 5.820 4.239 ( -6.403 -1.235 2.585) 7.015 4.492 ( 3.612 -3.004 -5.561) 7.280 4.571 ( -3.102 0.780 0.843) 3.308 4.745 ( -6.778 -4.158 3.751) 8.792 4.899 ( 4.388 0.425 -0.264) 4.416 4.994 ( 1.764 1.545 -1.691) 2.891 5.106 ( 1.099 -3.929 4.106) 5.788 5.185 ( 2.885 -1.616 -1.298) 3.552 5.240 ( -3.439 -2.669 -2.295) 4.921 5.475 ( -3.963 -0.574 0.032) 4.005 5.494 ( 5.584 0.258 -2.494) 6.121 5.650 ( -0.672 -2.334 4.891) 5.461 5.775 ( -2.219 1.596 -2.826) 3.932 5.899 ( 3.299 -0.971 2.267) 4.119 6.035 ( 2.423 1.030 -1.504) 3.032 6.340 ( 0.719 1.779 2.258) 2.963 6.575 ( -1.932 0.788 -3.504) 4.078 6.634 ( 0.288 10.315 1.092) 10.376 6.761 ( -2.166 1.092 0.421) 2.462 6.932 ( -3.577 10.211 1.998) 11.002 7.089 ( -1.379 2.986 -3.037) 4.477 7.216 ( 1.695 -0.291 1.240) 2.120 7.308 ( -4.014 -1.381 -1.868) 4.638 7.423 ( -2.845 5.317 1.499) 6.214 7.926 ( -0.392 -2.472 -2.752) 3.720 8.002 ( -7.410 1.584 4.232) 8.679 8.195 ( -3.445 -3.648 2.342) 5.537 8.267 ( 1.715 6.517 -1.599) 6.926 8.449 ( 1.877 5.190 -2.933) 6.250 8.709 ( 2.766 -3.636 -2.656) 5.284 8.986 ( -0.355 -1.252 3.511) 3.745 9.184 ( 0.100 -3.864 2.358) 4.527 9.256 ( 9.005 -4.244 -0.393) 9.963 9.457 ( -4.300 -0.671 -0.527) 4.384 9.795 ( 5.265 2.798 -1.369) 6.117 10.025 ( 3.862 5.989 -1.024) 7.199 10.426 ( 0.737 -1.741 1.531) 2.433 10.675 ( -1.690 -0.873 -2.470) 3.117 10.804 ( -0.671 1.058 0.393) 1.313 10.973 ( 0.584 -0.174 1.209) 1.354 11.067 ( -0.102 0.432 1.468) 1.533 11.168 ( -6.987 1.694 -0.741) 7.227 11.282 ( 0.454 5.118 -0.213) 5.142 11.562 ( 3.854 3.141 2.365) 5.506 11.631 ( 5.331 10.806 -2.756) 12.361 11.768 ( 7.924 3.006 0.237) 8.479 12.195 ( -1.906 2.044 0.986) 2.964 12.231 ( -0.514 -0.737 -1.176) 1.480 12.696 ( 0.348 3.500 0.580) 3.565 12.725 ( 2.549 1.473 -0.412) 2.972 13.339 ( -0.960 -3.970 -1.280) 4.280 13.380 ( 0.720 0.566 -0.249) 0.949 13.447 ( -1.868 1.418 0.806) 2.480 13.685 ( -1.653 -3.834 0.865) 4.264 15.800 ( -2.707 0.119 -0.813) 2.829 15.924 ( -1.768 -2.298 0.619) 2.964 17.475 ( 5.680 -1.981 -0.114) 6.016 17.692 ( -7.728 -3.803 0.537) 8.630 18.096 ( 2.473 1.660 1.296) 3.248 18.204 ( -1.267 4.527 -3.852) 6.078 18.424 ( 5.763 5.133 1.962) 7.963 18.923 ( -2.913 8.870 1.385) 9.438 19.093 ( 4.787 1.259 -0.916) 5.034 19.327 ( 0.077 8.237 -0.157) 8.239 19.643 ( 3.213 -5.098 -0.507) 6.048 19.908 ( -12.105 -8.751 0.286) 14.939 21.467 ( 11.460 6.648 0.304) 13.252 21.809 ( -5.355 2.440 0.044) 5.885 22.034 ( -0.155 -1.701 0.275) 1.730 22.157 ( 1.612 -0.691 -2.729) 3.244 22.288 ( -2.018 -1.140 1.875) 2.981 22.629 ( -0.620 -1.331 1.534) 2.123 22.906 ( 0.691 2.041 -2.151) 3.045 22.940 ( 0.414 -4.968 0.768) 5.044 23.269 ( -2.471 -3.930 0.133) 4.645 23.349 ( -0.139 -6.995 0.035) 6.997 ======================= Grid point 30 (23/102) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.831 6.123 -0.499) 6.199 1.663 ( -1.904 17.683 1.309) 17.834 1.843 ( -0.986 10.086 -1.080) 10.191 2.008 ( -0.522 7.458 0.661) 7.505 2.209 ( -0.701 -10.770 0.181) 10.794 2.278 ( -1.675 7.038 0.481) 7.250 2.468 ( 4.124 5.053 0.562) 6.547 2.561 ( -4.720 -0.009 -1.302) 4.896 2.648 ( -2.325 2.646 1.628) 3.880 2.697 ( 1.335 9.669 -1.530) 9.879 2.787 ( 0.631 -0.296 -0.568) 0.899 2.952 ( -1.513 -0.784 0.356) 1.741 3.142 ( -2.079 -3.008 1.794) 4.073 3.199 ( 1.554 -1.687 -2.343) 3.279 3.244 ( 0.553 -0.837 -0.373) 1.070 3.262 ( -0.140 1.237 0.910) 1.542 3.367 ( 3.123 -3.302 -0.746) 4.605 3.449 ( 2.002 -2.029 -3.096) 4.209 3.509 ( -5.488 0.304 2.613) 6.086 3.648 ( 4.581 -1.615 0.884) 4.938 3.758 ( 3.261 1.954 0.562) 3.843 3.870 ( 2.706 -1.517 -2.998) 4.314 3.876 ( 1.279 -1.273 2.729) 3.272 3.969 ( -7.103 -0.776 -0.207) 7.149 4.072 ( -1.100 -0.135 1.602) 1.948 4.156 ( 0.968 0.007 -2.042) 2.260 4.277 ( -2.796 -5.352 2.528) 6.546 4.509 ( -0.273 0.057 -3.045) 3.058 4.550 ( -2.240 -0.390 0.750) 2.395 4.804 ( -2.085 -4.251 0.788) 4.800 4.898 ( 4.767 3.129 -1.595) 5.921 4.984 ( 1.661 1.991 0.113) 2.595 5.165 ( -0.804 -2.617 2.479) 3.693 5.223 ( 0.724 -3.293 -0.814) 3.469 5.293 ( 0.789 -2.249 -1.221) 2.678 5.424 ( 0.247 0.247 -2.539) 2.563 5.545 ( 2.146 0.159 1.835) 2.828 5.651 ( -5.701 1.228 3.513) 6.808 5.741 ( 0.445 0.877 -1.942) 2.177 5.936 ( 0.800 -0.724 4.306) 4.440 5.999 ( 1.176 3.760 -5.310) 6.612 6.304 ( -0.446 1.803 -0.100) 1.860 6.410 ( -1.322 7.976 2.268) 8.397 6.530 ( -1.298 8.493 -0.734) 8.623 6.728 ( -1.159 5.307 1.669) 5.682 6.794 ( -2.190 -4.674 -2.538) 5.752 6.970 ( -3.390 7.022 -0.151) 7.799 7.235 ( -0.187 -1.060 -0.604) 1.234 7.295 ( -1.667 6.369 0.654) 6.616 7.381 ( -1.711 -6.735 0.273) 6.954 7.904 ( -2.797 1.728 -0.643) 3.350 8.018 ( -1.533 -5.941 0.529) 6.159 8.166 ( 0.051 4.252 2.204) 4.790 8.296 ( -0.107 -6.984 -0.680) 7.018 8.368 ( 0.786 4.569 -0.946) 4.732 8.781 ( 2.091 -2.408 -2.048) 3.790 9.036 ( 1.191 -2.740 1.103) 3.185 9.276 ( 1.268 -4.612 1.123) 4.913 9.396 ( 4.714 -4.744 0.479) 6.705 9.464 ( -1.979 -2.635 -0.160) 3.299 9.766 ( 1.996 2.766 -0.753) 3.493 9.956 ( 1.261 3.212 -0.698) 3.520 10.466 ( 3.023 -0.205 0.791) 3.132 10.663 ( -0.691 0.352 -0.009) 0.776 10.734 ( -4.619 4.805 -0.608) 6.692 10.934 ( -0.616 3.803 2.501) 4.593 11.033 ( 0.177 2.433 -2.904) 3.793 11.124 ( -3.438 -1.386 0.973) 3.832 11.242 ( -0.307 0.155 -0.227) 0.412 11.467 ( 0.647 7.689 0.147) 7.718 11.583 ( 2.576 -1.383 0.067) 2.925 11.771 ( 3.670 2.100 -0.132) 4.230 12.179 ( -1.145 -1.161 0.619) 1.744 12.263 ( 0.544 -3.268 -0.963) 3.450 12.637 ( -0.178 3.355 0.488) 3.395 12.717 ( 0.928 0.939 -0.172) 1.331 13.287 ( -0.421 3.872 0.185) 3.899 13.384 ( 0.253 3.108 -0.561) 3.168 13.502 ( -1.048 -8.563 -0.053) 8.627 13.796 ( 0.717 -7.384 0.449) 7.432 15.781 ( -1.793 0.023 0.068) 1.794 15.962 ( -0.386 -2.478 -0.130) 2.511 17.563 ( 7.614 -2.023 -0.585) 7.900 17.713 ( -8.527 -5.075 1.257) 10.002 18.025 ( 0.678 7.697 0.455) 7.740 18.098 ( -0.482 6.262 -2.126) 6.630 18.458 ( 3.973 -4.708 1.572) 6.358 18.778 ( -3.804 2.778 -0.919) 4.799 19.131 ( 4.622 -0.874 0.482) 4.728 19.209 ( -3.913 2.776 0.048) 4.798 19.806 ( 6.984 -7.877 -0.508) 10.539 19.994 ( -9.000 -9.647 0.353) 13.198 21.419 ( 9.504 7.328 -0.050) 12.001 21.644 ( -7.950 8.723 -0.019) 11.803 22.103 ( 0.373 -3.761 0.576) 3.823 22.152 ( 0.681 1.786 -0.506) 1.977 22.283 ( -0.927 0.407 0.073) 1.015 22.676 ( 0.573 -3.500 -0.455) 3.576 22.804 ( -0.639 6.801 0.475) 6.848 23.058 ( 1.039 -5.225 -0.127) 5.329 23.315 ( -0.393 -2.185 -0.048) 2.220 23.468 ( 1.116 -5.632 0.082) 5.742 ======================= Grid point 31 (24/102) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 16.624 0.000) 16.624 1.333 ( 0.000 11.858 0.000) 11.858 1.645 ( 0.000 10.277 0.000) 10.277 1.861 ( 0.000 8.144 0.000) 8.144 2.117 ( 0.000 10.155 0.000) 10.155 2.276 ( 0.000 14.438 0.000) 14.438 2.362 ( 0.000 12.961 0.000) 12.961 2.431 ( -0.000 -11.580 -0.000) 11.580 2.453 ( 0.000 16.131 0.000) 16.131 2.732 ( -0.000 -5.035 -0.000) 5.035 2.835 ( -0.000 -3.097 -0.000) 3.097 2.955 ( 0.000 2.039 0.000) 2.039 3.070 ( 0.000 7.066 0.000) 7.066 3.157 ( 0.000 4.085 0.000) 4.085 3.302 ( -0.000 -6.129 -0.000) 6.129 3.351 ( -0.000 -4.089 -0.000) 4.089 3.393 ( 0.000 4.260 0.000) 4.260 3.422 ( -0.000 -1.584 -0.000) 1.584 3.544 ( -0.000 -0.304 -0.000) 0.304 3.729 ( -0.000 -1.513 -0.000) 1.513 3.742 ( -0.000 -3.765 -0.000) 3.765 3.884 ( -0.000 -0.620 -0.000) 0.620 3.934 ( -0.000 -0.695 -0.000) 0.695 3.940 ( -0.000 -2.569 -0.000) 2.569 4.104 ( -0.000 -2.674 -0.000) 2.674 4.135 ( 0.000 0.987 0.000) 0.987 4.363 ( -0.000 -4.547 -0.000) 4.547 4.529 ( -0.000 -3.325 -0.000) 3.325 4.534 ( 0.000 1.976 0.000) 1.976 4.796 ( 0.000 4.499 0.000) 4.499 4.902 ( -0.000 -2.239 -0.000) 2.239 4.937 ( 0.000 2.795 0.000) 2.795 5.216 ( -0.000 -2.692 -0.000) 2.692 5.292 ( 0.000 0.758 0.000) 0.758 5.321 ( -0.000 -6.313 -0.000) 6.313 5.437 ( 0.000 3.963 0.000) 3.963 5.508 ( 0.000 2.963 0.000) 2.963 5.623 ( -0.000 -3.469 -0.000) 3.469 5.698 ( 0.000 4.567 0.000) 4.567 5.895 ( 0.000 4.741 0.000) 4.741 5.993 ( -0.000 -3.060 -0.000) 3.060 6.296 ( -0.000 -0.781 -0.000) 0.781 6.302 ( 0.000 6.776 0.000) 6.776 6.329 ( 0.000 7.894 0.000) 7.894 6.726 ( -0.000 -2.055 -0.000) 2.055 6.805 ( 0.000 6.180 0.000) 6.180 6.894 ( -0.000 -5.650 -0.000) 5.650 7.175 ( 0.000 5.653 0.000) 5.653 7.277 ( -0.000 -3.378 -0.000) 3.378 7.488 ( -0.000 -5.527 -0.000) 5.527 7.881 ( -0.000 -0.351 -0.000) 0.351 8.125 ( -0.000 -5.525 -0.000) 5.525 8.127 ( 0.000 0.272 0.000) 0.272 8.290 ( 0.000 4.221 0.000) 4.221 8.423 ( -0.000 -6.908 -0.000) 6.908 8.822 ( -0.000 -2.054 -0.000) 2.054 9.085 ( -0.000 -1.855 -0.000) 1.855 9.324 ( 0.000 1.167 0.000) 1.167 9.492 ( -0.000 -4.428 -0.000) 4.428 9.513 ( -0.000 -2.639 -0.000) 2.639 9.740 ( 0.000 0.422 0.000) 0.422 9.939 ( -0.000 -0.854 -0.000) 0.854 10.451 ( 0.000 2.816 0.000) 2.816 10.569 ( 0.000 8.166 0.000) 8.166 10.705 ( -0.000 -2.998 -0.000) 2.998 10.875 ( 0.000 1.448 0.000) 1.448 11.005 ( 0.000 0.744 0.000) 0.744 11.127 ( 0.000 0.431 0.000) 0.431 11.254 ( -0.000 -1.710 -0.000) 1.710 11.394 ( 0.000 0.663 0.000) 0.663 11.623 ( -0.000 -1.061 -0.000) 1.061 11.744 ( 0.000 1.832 0.000) 1.832 12.223 ( -0.000 -4.204 -0.000) 4.204 12.347 ( -0.000 -5.632 -0.000) 5.632 12.577 ( 0.000 3.104 0.000) 3.104 12.701 ( 0.000 1.338 0.000) 1.338 13.227 ( 0.000 2.649 0.000) 2.649 13.330 ( 0.000 2.686 0.000) 2.686 13.661 ( -0.000 -9.318 -0.000) 9.318 13.935 ( -0.000 -7.359 -0.000) 7.359 15.772 ( 0.000 0.242 0.000) 0.242 16.002 ( -0.000 -2.177 -0.000) 2.177 17.608 ( 0.000 1.883 0.000) 1.883 17.782 ( -0.000 -5.602 -0.000) 5.602 17.871 ( 0.000 7.579 0.000) 7.579 17.964 ( 0.000 7.006 0.000) 7.006 18.636 ( -0.000 -12.183 -0.000) 12.183 18.788 ( -0.000 -5.406 -0.000) 5.406 19.132 ( 0.000 1.432 0.000) 1.432 19.228 ( -0.000 -5.359 -0.000) 5.359 19.991 ( -0.000 -9.069 -0.000) 9.069 20.139 ( -0.000 -10.635 -0.000) 10.635 21.335 ( 0.000 7.570 0.000) 7.570 21.407 ( 0.000 12.688 0.000) 12.688 22.106 ( 0.000 3.382 0.000) 3.382 22.124 ( 0.000 2.511 0.000) 2.511 22.286 ( -0.000 -1.761 -0.000) 1.761 22.670 ( 0.000 7.564 0.000) 7.564 22.749 ( -0.000 -4.060 -0.000) 4.060 23.133 ( -0.000 -2.668 -0.000) 2.668 23.334 ( 0.000 0.055 0.000) 0.055 23.560 ( -0.000 -3.927 -0.000) 3.927 ======================= Grid point 36 (25/102) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 22.162 0.000 -0.244) 22.163 1.145 ( 22.344 0.000 -2.792) 22.518 1.437 ( 13.346 0.000 -3.913) 13.908 1.529 ( 14.578 0.000 1.665) 14.673 2.032 ( 6.376 0.000 6.912) 9.404 2.109 ( 33.089 0.000 0.779) 33.098 2.329 ( 2.427 0.000 0.563) 2.492 2.451 ( 2.194 0.000 0.563) 2.265 2.519 ( 2.254 0.000 0.906) 2.429 2.576 ( 1.466 0.000 -8.208) 8.338 2.746 ( 0.450 0.000 -1.289) 1.365 2.861 ( 6.546 0.000 -7.219) 9.745 2.923 ( 0.427 0.000 5.443) 5.459 3.032 ( -0.072 -0.000 5.696) 5.696 3.173 ( -5.275 -0.000 6.123) 8.082 3.252 ( -3.559 -0.000 -4.415) 5.671 3.463 ( -2.464 -0.000 5.916) 6.409 3.487 ( 1.708 0.000 -1.737) 2.436 3.552 ( -1.246 -0.000 -0.236) 1.268 3.687 ( -3.937 -0.000 -1.252) 4.131 3.776 ( 2.312 0.000 -7.805) 8.141 3.847 ( -2.852 -0.000 5.904) 6.557 3.944 ( 8.411 0.000 -5.346) 9.966 4.012 ( -3.409 -0.000 -2.885) 4.466 4.224 ( 0.553 0.000 7.089) 7.110 4.313 ( -4.712 -0.000 -0.544) 4.743 4.481 ( -3.797 -0.000 -0.582) 3.841 4.585 ( -4.513 -0.000 1.078) 4.640 4.668 ( -8.205 -0.000 -5.276) 9.755 4.832 ( -1.782 -0.000 1.135) 2.113 4.881 ( -7.893 -0.000 2.911) 8.413 4.956 ( 0.293 0.000 -0.456) 0.542 4.956 ( -5.386 -0.000 0.707) 5.432 5.149 ( -1.336 -0.000 -0.893) 1.607 5.201 ( -8.509 -0.000 2.979) 9.016 5.221 ( -8.455 -0.000 0.455) 8.467 5.266 ( 14.025 0.000 -6.745) 15.563 5.325 ( -5.021 -0.000 1.926) 5.377 5.521 ( -6.341 -0.000 1.627) 6.547 5.965 ( -0.813 -0.000 -0.136) 0.824 6.013 ( 5.096 0.000 2.644) 5.741 6.159 ( 1.304 0.000 -1.235) 1.796 6.411 ( -1.255 -0.000 -3.495) 3.713 6.550 ( -7.700 -0.000 0.182) 7.703 6.911 ( 11.258 0.000 2.385) 11.508 6.974 ( 6.506 0.000 -4.677) 8.012 7.174 ( 1.423 0.000 4.719) 4.929 7.248 ( 0.304 0.000 0.990) 1.036 7.648 ( 7.814 0.000 -5.836) 9.753 8.075 ( -0.200 -0.000 -5.864) 5.867 8.173 ( 0.064 0.000 4.181) 4.181 8.177 ( 6.162 0.000 1.674) 6.385 8.229 ( -1.600 -0.000 -8.896) 9.038 8.372 ( -8.151 -0.000 13.685) 15.928 8.587 ( -14.347 -0.000 7.083) 16.000 8.839 ( -3.623 -0.000 -5.921) 6.941 9.152 ( -1.556 -0.000 7.376) 7.539 9.178 ( 8.294 0.000 -4.052) 9.231 9.630 ( 10.072 0.000 -8.262) 13.027 10.004 ( -9.426 -0.000 9.281) 13.229 10.145 ( 3.378 0.000 -3.744) 5.042 10.194 ( -12.437 -0.000 -5.301) 13.519 10.296 ( 3.850 0.000 7.258) 8.216 10.683 ( 1.775 0.000 -13.592) 13.708 10.701 ( -2.383 -0.000 2.923) 3.771 10.776 ( 5.678 0.000 3.802) 6.833 11.257 ( 4.773 0.000 -7.242) 8.673 11.305 ( 5.380 0.000 0.214) 5.384 11.344 ( 12.204 0.000 -5.226) 13.275 11.497 ( 6.229 0.000 6.629) 9.096 11.791 ( 7.044 0.000 3.260) 7.762 11.937 ( -0.190 -0.000 -1.644) 1.655 12.288 ( -2.252 -0.000 0.167) 2.259 12.404 ( -4.458 -0.000 0.484) 4.484 13.055 ( -3.379 -0.000 -1.187) 3.582 13.056 ( 0.659 0.000 1.208) 1.376 13.362 ( 13.877 0.000 1.074) 13.918 13.531 ( 7.831 0.000 -3.034) 8.398 13.948 ( -4.101 -0.000 0.551) 4.138 13.985 ( -5.348 -0.000 0.282) 5.356 15.904 ( -9.780 -0.000 -9.465) 13.610 16.072 ( -13.155 -0.000 8.018) 15.406 17.451 ( 12.334 0.000 1.206) 12.392 17.596 ( 5.879 0.000 -2.621) 6.437 18.169 ( 8.182 0.000 1.543) 8.326 18.397 ( 4.757 0.000 -6.142) 7.769 18.837 ( -12.752 -0.000 4.617) 13.562 18.937 ( -12.593 -0.000 -1.852) 12.728 19.811 ( 0.345 0.000 -3.608) 3.624 19.979 ( -1.597 -0.000 4.092) 4.393 20.425 ( 2.049 0.000 3.698) 4.228 20.814 ( 4.854 0.000 -3.222) 5.825 20.839 ( 3.817 0.000 1.537) 4.114 21.575 ( 11.643 0.000 -30.503) 32.650 21.745 ( -7.427 -0.000 19.494) 20.861 21.967 ( 3.199 0.000 2.001) 3.774 22.068 ( 6.403 0.000 -0.765) 6.449 22.413 ( 3.600 0.000 -0.438) 3.627 22.418 ( -0.661 -0.000 1.927) 2.037 22.704 ( -4.712 -0.000 3.003) 5.588 22.983 ( -5.391 -0.000 -0.842) 5.457 23.006 ( -5.487 -0.000 0.724) 5.535 ======================= Grid point 37 (26/102) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 14.395 -2.758 2.769) 14.916 1.402 ( 20.389 -9.300 -3.683) 22.710 1.458 ( 8.238 4.360 2.246) 9.588 1.738 ( 13.363 -7.961 -2.492) 15.753 2.090 ( 8.916 -0.810 1.318) 9.049 2.257 ( 1.807 3.632 -3.928) 5.647 2.378 ( 7.880 -3.851 3.423) 9.415 2.472 ( 11.611 -0.469 -2.266) 11.840 2.583 ( -5.768 -6.467 -0.095) 8.666 2.612 ( 0.628 -3.488 0.879) 3.651 2.750 ( 5.409 1.587 -1.175) 5.758 2.922 ( -2.532 -2.112 2.676) 4.246 2.976 ( 5.867 -5.762 -2.990) 8.750 3.041 ( 0.858 1.133 6.034) 6.199 3.158 ( -0.383 0.282 3.897) 3.926 3.212 ( -0.867 0.808 -3.683) 3.869 3.451 ( -5.197 0.529 -0.272) 5.231 3.483 ( -0.616 2.521 -1.550) 3.023 3.510 ( 1.301 1.177 3.488) 3.904 3.688 ( -0.704 -1.542 -1.151) 2.049 3.748 ( -3.749 2.174 -0.986) 4.445 3.864 ( 3.560 -2.845 -1.655) 4.848 3.909 ( -4.706 5.193 -3.470) 7.820 3.966 ( 5.720 4.111 -1.589) 7.221 4.161 ( -0.479 5.425 5.031) 7.414 4.308 ( -1.995 1.682 -0.301) 2.627 4.485 ( -3.019 -2.055 0.226) 3.659 4.567 ( -5.669 -0.282 -2.437) 6.177 4.595 ( -0.491 -0.911 -1.712) 2.001 4.751 ( -1.555 4.812 0.689) 5.104 4.815 ( -7.025 -0.361 4.228) 8.207 4.903 ( -0.836 1.075 -0.896) 1.629 5.034 ( -10.637 -0.266 -2.187) 10.863 5.112 ( -4.527 1.191 0.114) 4.682 5.148 ( -2.575 -5.129 2.952) 6.453 5.219 ( -6.160 -1.909 1.450) 6.610 5.287 ( -5.080 -3.120 -1.786) 6.224 5.399 ( 13.491 -3.239 -2.784) 14.151 5.492 ( -5.384 -1.688 1.901) 5.954 5.987 ( -3.518 -2.963 1.960) 5.000 6.025 ( 5.637 3.426 0.304) 6.604 6.195 ( 3.334 -3.055 -1.615) 4.802 6.420 ( -2.242 -0.917 -1.521) 2.860 6.522 ( -0.485 -3.146 -0.582) 3.236 6.965 ( 9.264 2.288 1.577) 9.671 7.018 ( 4.331 -0.432 -3.095) 5.341 7.182 ( 3.270 1.300 0.915) 3.636 7.284 ( -0.594 -2.824 3.259) 4.352 7.672 ( 2.880 0.996 -4.513) 5.446 8.013 ( -8.770 2.775 0.515) 9.212 8.133 ( -5.082 2.246 -2.752) 6.201 8.151 ( 1.564 5.171 1.629) 5.642 8.288 ( 7.204 -2.979 2.545) 8.200 8.373 ( -0.114 -2.247 1.020) 2.470 8.513 ( -10.949 -1.346 4.152) 11.787 8.720 ( -4.541 7.284 -1.448) 8.705 9.163 ( -2.096 0.192 4.713) 5.161 9.202 ( 3.940 1.758 -3.737) 5.708 9.668 ( 7.394 1.637 -8.899) 11.685 9.838 ( -11.889 8.057 5.557) 15.399 10.040 ( -8.389 6.028 0.262) 10.334 10.214 ( 7.158 -2.170 -4.509) 8.733 10.342 ( 6.061 1.501 4.848) 7.905 10.610 ( -0.407 4.398 -4.254) 6.132 10.700 ( 0.251 -0.351 2.029) 2.075 10.819 ( 7.210 0.961 -0.223) 7.277 11.191 ( 5.627 5.588 -0.553) 7.949 11.301 ( 7.588 4.037 -2.661) 8.997 11.515 ( 8.014 -7.157 -0.468) 10.755 11.667 ( 6.787 -8.133 2.786) 10.953 11.826 ( 5.584 2.040 2.236) 6.352 11.901 ( -2.390 2.050 -2.517) 4.031 12.279 ( -0.849 0.103 -0.571) 1.029 12.383 ( -2.769 -0.583 0.661) 2.906 13.032 ( -2.957 -1.019 -1.315) 3.392 13.077 ( -0.725 -2.244 0.866) 2.512 13.326 ( 11.304 13.365 0.681) 17.517 13.475 ( 10.714 12.002 -0.682) 16.103 13.874 ( -7.216 2.463 0.148) 7.626 13.940 ( -5.174 2.607 0.329) 5.803 15.806 ( -9.017 0.155 -3.858) 9.809 16.003 ( -12.915 -1.120 3.467) 13.419 17.457 ( 10.781 7.177 0.535) 12.963 17.652 ( 4.334 -1.040 -1.141) 4.601 18.071 ( 13.682 7.624 0.455) 15.670 18.572 ( 1.203 -4.425 -2.835) 5.391 18.767 ( -8.302 0.528 2.208) 8.607 18.949 ( -15.254 -13.268 -0.312) 20.219 19.690 ( -1.406 11.066 -2.419) 11.415 19.831 ( -2.096 11.858 1.698) 12.161 20.262 ( 2.117 18.703 0.903) 18.844 20.645 ( 6.791 17.401 1.712) 18.758 21.035 ( 3.595 -13.083 -1.265) 13.627 21.544 ( 11.925 0.266 -10.755) 16.061 21.798 ( -2.039 -7.582 8.184) 11.341 21.998 ( 2.952 -0.441 1.685) 3.427 22.372 ( -0.960 -9.755 -5.964) 11.474 22.426 ( 1.398 -3.490 -1.849) 4.189 22.464 ( -1.399 -9.321 3.226) 9.962 22.684 ( -3.549 -0.232 3.337) 4.877 22.941 ( -5.741 -0.496 -1.570) 5.972 23.013 ( -5.472 -4.414 1.545) 7.198 ======================= Grid point 38 (27/102) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 1.482 -4.086 5.282) 6.840 1.478 ( 7.448 -2.068 2.400) 8.094 1.718 ( 17.200 -9.772 -2.041) 19.887 1.927 ( 9.974 -3.560 -7.061) 12.728 2.159 ( -1.419 3.034 -3.101) 4.565 2.223 ( 7.278 -4.907 -3.710) 9.530 2.441 ( 1.205 -1.319 3.424) 3.862 2.569 ( -6.256 -4.285 3.940) 8.545 2.656 ( -7.504 -5.930 2.486) 9.882 2.720 ( 8.152 -2.843 -2.266) 8.926 2.768 ( 7.115 2.167 3.137) 8.072 2.916 ( -3.507 -1.417 2.858) 4.741 3.067 ( 6.034 -1.232 2.768) 6.752 3.128 ( -3.533 -1.479 0.218) 3.837 3.149 ( 5.087 -5.458 -4.177) 8.551 3.230 ( 4.241 -0.553 -0.140) 4.279 3.385 ( 2.371 2.689 -3.782) 5.211 3.434 ( -8.471 1.061 0.429) 8.548 3.504 ( 4.583 1.402 -0.283) 4.801 3.663 ( -5.816 1.435 0.793) 6.043 3.714 ( -0.540 -0.262 -0.507) 0.786 3.791 ( -2.242 2.912 -0.950) 3.796 3.872 ( 1.585 6.759 -1.044) 7.021 4.009 ( 8.526 -5.340 -0.343) 10.066 4.058 ( -2.310 5.252 3.090) 6.517 4.216 ( -4.321 5.235 0.372) 6.798 4.420 ( -1.777 5.530 -1.853) 6.097 4.556 ( -3.709 -0.732 -0.206) 3.786 4.632 ( -6.131 0.481 2.223) 6.540 4.675 ( 0.818 -0.323 -2.343) 2.502 4.807 ( -1.294 -2.354 2.802) 3.881 4.891 ( -9.037 1.015 1.283) 9.184 4.954 ( 0.285 -3.113 -1.983) 3.702 5.059 ( -4.071 0.146 0.921) 4.176 5.140 ( -3.909 0.672 -0.998) 4.090 5.295 ( -1.017 -6.420 -3.759) 7.509 5.368 ( -1.943 -7.354 -0.866) 7.655 5.469 ( -4.398 -2.243 5.432) 7.340 5.603 ( 10.518 -6.269 -1.735) 12.367 5.985 ( -0.503 2.715 3.269) 4.280 6.009 ( -0.755 -0.650 -1.567) 1.857 6.302 ( 6.727 -3.656 0.013) 7.657 6.399 ( -4.514 -1.781 -2.077) 5.278 6.647 ( 5.802 -6.466 -0.806) 8.725 6.980 ( 6.038 2.764 -0.988) 6.714 7.030 ( 2.818 1.442 1.404) 3.462 7.181 ( 3.201 1.638 -1.552) 3.916 7.346 ( -0.536 -3.687 3.855) 5.362 7.619 ( -3.078 4.501 -2.922) 6.186 7.844 ( -6.794 9.279 1.520) 11.600 8.016 ( -3.970 4.054 -1.644) 5.907 8.110 ( 0.316 2.534 3.831) 4.604 8.367 ( 4.130 0.271 0.241) 4.146 8.399 ( -4.410 0.339 -4.599) 6.380 8.501 ( -1.964 -3.117 -0.604) 3.733 8.578 ( -4.945 2.186 5.156) 7.471 9.107 ( -1.697 4.814 3.052) 5.947 9.185 ( 2.530 1.212 -3.820) 4.739 9.525 ( -4.543 12.050 -1.197) 12.933 9.742 ( 3.693 2.596 -4.663) 6.490 9.847 ( -6.848 7.013 3.686) 10.472 10.290 ( 10.448 1.269 -4.633) 11.500 10.345 ( 0.345 1.088 3.085) 3.290 10.556 ( -0.410 0.334 -0.737) 0.907 10.736 ( 0.865 -2.513 4.029) 4.826 10.853 ( 7.913 0.944 -2.017) 8.220 11.147 ( 4.647 3.895 0.413) 6.077 11.274 ( 2.729 3.286 -0.222) 4.277 11.682 ( 7.534 -4.414 0.044) 8.732 11.774 ( 0.432 4.930 -1.019) 5.053 11.844 ( 7.445 2.589 -0.144) 7.883 11.860 ( 3.923 -3.279 0.799) 5.175 12.264 ( -0.886 0.697 -0.240) 1.152 12.374 ( -2.508 0.081 0.251) 2.522 13.040 ( 1.455 0.439 -2.202) 2.676 13.132 ( 5.860 11.118 1.990) 12.724 13.136 ( -1.343 -3.042 0.479) 3.359 13.270 ( 9.841 17.992 0.129) 20.508 13.760 ( -7.830 4.478 -0.571) 9.038 13.828 ( -5.374 4.185 0.680) 6.845 15.761 ( -6.765 -2.140 -1.312) 7.215 15.931 ( -9.641 0.059 0.946) 9.688 17.423 ( 8.641 4.115 0.108) 9.571 17.668 ( -0.671 0.514 -0.323) 0.904 18.104 ( 14.245 2.623 0.458) 14.492 18.556 ( -0.038 4.410 -2.102) 4.885 18.700 ( -4.630 1.431 1.693) 5.134 19.083 ( -11.622 -9.825 1.392) 15.282 19.459 ( -1.195 10.956 -1.362) 11.105 19.634 ( -3.358 6.323 0.622) 7.186 19.913 ( 3.491 20.019 -2.564) 20.482 20.333 ( 4.630 21.611 2.032) 22.194 21.310 ( 3.027 -13.498 0.582) 13.845 21.648 ( 11.361 -1.847 -5.502) 12.757 21.959 ( -1.710 -8.907 4.622) 10.179 22.037 ( 1.910 -1.475 2.164) 3.242 22.336 ( 0.256 4.512 -2.565) 5.196 22.516 ( 1.445 -5.211 0.114) 5.409 22.664 ( -0.787 0.069 0.877) 1.181 22.733 ( -8.632 -16.297 -0.176) 18.443 22.924 ( -3.635 -2.819 -3.327) 5.677 23.066 ( -5.578 -5.019 2.642) 7.955 ======================= Grid point 39 (28/102) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.124 -7.730 0.249) 7.735 1.628 ( 2.894 -7.894 3.580) 9.138 1.949 ( 7.414 -2.868 -0.296) 7.955 1.996 ( 10.297 0.430 -6.241) 12.048 2.123 ( -3.791 -2.835 -1.474) 4.958 2.342 ( 2.905 -4.448 -1.977) 5.669 2.479 ( -0.499 -0.548 2.975) 3.065 2.581 ( -9.651 -3.799 4.302) 11.229 2.667 ( -2.382 1.289 2.319) 3.566 2.724 ( 2.140 4.089 0.960) 4.714 2.809 ( 2.699 -4.470 -0.012) 5.221 3.006 ( 7.844 -3.197 -2.918) 8.959 3.093 ( -1.412 0.441 2.426) 2.841 3.166 ( -0.262 -3.108 1.225) 3.351 3.256 ( 1.446 -2.030 -0.349) 2.517 3.279 ( -1.531 -2.739 -0.937) 3.275 3.348 ( 1.290 4.352 0.104) 4.541 3.380 ( 7.058 1.225 -6.167) 9.453 3.535 ( 4.271 -2.855 -3.030) 5.964 3.615 ( -7.888 -2.519 1.556) 8.426 3.711 ( -2.653 -0.715 1.179) 2.990 3.735 ( 3.292 6.390 -1.685) 7.383 3.779 ( -4.625 0.764 4.274) 6.344 3.941 ( 0.406 4.149 1.134) 4.320 4.080 ( -4.128 4.130 0.978) 5.920 4.206 ( 6.832 -6.070 -1.649) 9.287 4.293 ( -3.150 5.316 -1.515) 6.362 4.458 ( -5.225 5.407 0.751) 7.556 4.606 ( -2.863 -0.406 0.199) 2.899 4.653 ( -6.574 -0.280 0.023) 6.580 4.854 ( -2.468 -2.193 1.009) 3.452 4.895 ( 0.285 -5.196 2.337) 5.704 5.012 ( 1.000 -1.466 -0.364) 1.811 5.081 ( -1.198 -4.258 -0.679) 4.475 5.155 ( 2.671 -3.401 -1.790) 4.680 5.345 ( -4.016 -2.927 -4.444) 6.667 5.482 ( 0.808 -5.116 -1.901) 5.517 5.514 ( -2.761 -4.133 6.898) 8.502 5.772 ( 8.394 -4.150 -2.465) 9.683 5.929 ( -1.724 3.184 4.908) 6.099 6.013 ( 0.102 -0.957 -2.914) 3.069 6.375 ( 1.551 -0.740 6.020) 6.261 6.441 ( 1.558 -4.083 -7.288) 8.498 6.783 ( 2.964 -3.374 -1.110) 4.626 6.967 ( 1.923 -0.329 -1.439) 2.424 7.014 ( 4.081 4.917 4.571) 7.856 7.158 ( 1.877 2.392 -2.549) 3.967 7.411 ( -0.176 2.117 2.638) 3.387 7.450 ( -7.714 4.254 -0.366) 8.817 7.621 ( -2.382 11.114 -0.918) 11.403 7.931 ( -1.817 2.765 -0.820) 3.408 8.071 ( -0.530 2.689 3.711) 4.613 8.244 ( -6.755 5.813 -2.060) 9.146 8.410 ( 4.526 0.005 -4.607) 6.458 8.555 ( 0.870 -1.616 -1.801) 2.571 8.576 ( -6.902 -3.373 7.083) 10.449 9.015 ( -2.448 3.532 2.453) 4.948 9.194 ( 7.294 0.942 -4.965) 8.873 9.294 ( -1.503 9.384 0.916) 9.548 9.578 ( -5.462 9.026 0.772) 10.579 9.829 ( 3.426 -1.091 -1.356) 3.843 10.266 ( 5.917 6.261 -0.595) 8.635 10.361 ( 0.390 -1.309 0.323) 1.403 10.576 ( -0.919 -2.853 -1.150) 3.211 10.796 ( -0.179 -2.101 3.052) 3.709 10.908 ( 8.242 -1.047 -1.691) 8.478 11.114 ( 2.541 2.959 1.060) 4.042 11.219 ( -3.207 2.414 0.069) 4.015 11.623 ( 0.247 9.923 -0.815) 9.960 11.762 ( 3.046 3.161 0.907) 4.482 11.839 ( 10.501 1.857 -2.077) 10.864 11.940 ( 5.924 1.628 1.524) 6.330 12.241 ( -1.345 0.924 0.370) 1.674 12.329 ( -2.967 2.846 -0.464) 4.138 12.908 ( 5.918 11.550 0.086) 12.978 12.994 ( 3.945 15.263 -0.036) 15.764 13.121 ( -2.778 -5.204 -1.208) 6.021 13.254 ( 2.539 -5.926 1.555) 6.632 13.609 ( -5.507 5.828 -0.758) 8.054 13.726 ( -4.370 3.510 0.705) 5.649 15.766 ( -3.849 -2.743 -1.254) 4.890 15.873 ( -5.771 -0.126 0.905) 5.843 17.437 ( 6.865 0.915 -0.043) 6.926 17.634 ( -5.021 0.464 0.080) 5.043 18.145 ( 8.861 2.858 1.020) 9.366 18.428 ( -1.338 7.826 -2.896) 8.451 18.652 ( 0.726 3.351 1.195) 3.631 19.131 ( -1.770 -1.268 5.837) 6.230 19.289 ( 0.540 8.008 -3.586) 8.791 19.583 ( -6.038 -3.574 -0.589) 7.041 19.632 ( 1.173 11.078 -3.082) 11.558 19.967 ( 0.296 20.942 1.942) 21.034 21.543 ( 3.989 -8.791 1.341) 9.746 21.721 ( 7.556 0.754 -2.346) 7.947 22.068 ( 2.508 -2.899 -5.959) 7.085 22.095 ( -3.166 -3.284 7.576) 8.843 22.244 ( -1.927 3.300 -0.649) 3.876 22.634 ( -0.297 -2.163 5.485) 5.904 22.655 ( 1.118 -4.097 -3.332) 5.398 22.899 ( -5.784 -7.724 -1.902) 9.835 23.009 ( 0.273 -8.828 -3.044) 9.342 23.115 ( -5.588 -4.671 2.910) 7.843 ======================= Grid point 40 (29/102) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 0.117 -5.960 -1.357) 6.113 1.792 ( 2.322 -7.703 0.211) 8.048 1.976 ( 6.591 1.082 -9.565) 11.666 2.030 ( -5.554 -0.835 12.220) 13.449 2.149 ( -1.332 -0.673 -1.137) 1.876 2.393 ( 0.022 2.230 -0.715) 2.342 2.510 ( 5.110 -3.712 -1.174) 6.424 2.595 ( -2.793 1.894 3.572) 4.914 2.612 ( -4.152 -3.314 0.243) 5.319 2.688 ( 0.035 2.888 -0.062) 2.889 2.929 ( 4.391 -5.325 -1.273) 7.018 3.025 ( 1.596 3.362 -1.540) 4.028 3.118 ( -0.047 0.617 0.373) 0.722 3.171 ( 2.297 0.012 1.335) 2.656 3.226 ( -0.867 6.163 0.779) 6.272 3.271 ( -3.834 -1.454 -1.979) 4.553 3.315 ( -2.820 -1.070 0.944) 3.160 3.413 ( 5.971 0.838 -3.132) 6.795 3.591 ( -2.752 3.117 1.575) 4.447 3.626 ( 1.641 -1.029 -0.244) 1.952 3.700 ( -1.473 -5.163 2.480) 5.914 3.740 ( 4.613 -3.540 -6.207) 8.505 3.764 ( -2.263 -2.213 4.890) 5.825 3.918 ( -2.879 -0.646 -0.169) 2.956 4.055 ( 2.101 -2.546 -0.040) 3.302 4.189 ( -2.321 2.929 -2.428) 4.456 4.227 ( -4.180 5.247 3.651) 7.638 4.432 ( 2.442 -4.070 -3.637) 5.979 4.589 ( -0.603 1.658 -0.069) 1.765 4.627 ( -6.123 -3.546 2.323) 7.447 4.911 ( 4.259 -2.606 -1.355) 5.173 4.971 ( -4.209 -3.624 2.573) 6.121 5.057 ( 2.213 -3.523 1.055) 4.292 5.133 ( -2.058 -2.487 -1.413) 3.524 5.221 ( 2.752 0.744 0.831) 2.970 5.391 ( -1.036 -6.691 -4.269) 8.004 5.527 ( 1.220 0.107 -1.808) 2.184 5.588 ( -2.146 -3.894 5.186) 6.831 5.811 ( 1.263 3.011 -2.813) 4.310 5.915 ( 1.724 -0.681 3.975) 4.386 6.035 ( 0.603 -1.512 -2.183) 2.723 6.407 ( 3.404 1.506 5.909) 6.984 6.494 ( -1.726 -4.032 -6.886) 8.164 6.776 ( -0.653 2.551 -0.746) 2.737 6.882 ( -0.208 12.565 2.730) 12.860 7.054 ( 3.452 -4.716 -2.788) 6.475 7.109 ( 1.450 6.493 3.508) 7.521 7.208 ( -6.793 4.946 -1.362) 8.512 7.398 ( -0.141 9.375 -1.372) 9.476 7.479 ( -0.599 1.476 1.214) 2.003 7.890 ( -0.750 0.160 -0.731) 1.059 8.024 ( -1.095 2.979 3.014) 4.377 8.133 ( -3.843 0.558 -1.799) 4.280 8.388 ( 1.555 5.017 -1.134) 5.373 8.538 ( 0.480 3.525 -1.508) 3.864 8.628 ( -1.916 -5.393 1.603) 5.943 8.970 ( -1.649 0.149 1.743) 2.404 9.165 ( 0.684 1.981 0.051) 2.096 9.274 ( 8.154 -1.383 -1.194) 8.356 9.426 ( -5.915 2.785 0.586) 6.564 9.859 ( 2.735 0.602 -0.952) 2.958 10.175 ( 2.803 7.276 -0.309) 7.803 10.391 ( -0.152 -1.932 0.783) 2.090 10.624 ( -0.502 -3.039 -1.459) 3.408 10.818 ( -0.068 -0.067 1.061) 1.065 10.980 ( 4.375 -0.841 -0.510) 4.485 11.089 ( 1.477 1.537 1.583) 2.655 11.147 ( -5.893 1.537 -0.673) 6.127 11.433 ( 0.412 10.485 -0.093) 10.494 11.681 ( 2.000 6.574 0.254) 6.876 11.850 ( 5.045 6.851 -0.185) 8.510 11.897 ( 5.287 5.611 -0.179) 7.711 12.210 ( -2.952 1.249 1.203) 3.424 12.244 ( -0.538 3.128 -1.199) 3.393 12.781 ( 1.309 5.964 0.208) 6.110 12.811 ( 1.873 6.988 -0.141) 7.236 13.211 ( -1.099 -6.605 -1.008) 6.771 13.385 ( 2.321 -4.982 1.770) 5.774 13.478 ( -2.713 4.937 -1.148) 5.749 13.648 ( -2.476 1.696 0.491) 3.041 15.778 ( -1.677 -0.812 -0.971) 2.101 15.867 ( -2.086 -2.308 0.803) 3.213 17.488 ( 6.186 -1.149 -0.135) 6.294 17.594 ( -6.600 -1.184 0.266) 6.710 18.146 ( 3.269 2.000 1.422) 4.088 18.277 ( -1.413 6.318 -2.673) 7.005 18.579 ( 2.340 6.420 0.737) 6.873 19.092 ( -0.300 9.231 7.299) 11.772 19.164 ( 2.570 3.700 -6.688) 8.064 19.555 ( 6.640 10.457 -0.991) 12.427 19.581 ( -2.149 -1.297 -0.778) 2.628 19.686 ( -10.040 -2.158 1.471) 10.374 21.652 ( 9.071 3.764 0.754) 9.850 21.753 ( -3.206 -3.805 -0.392) 4.991 22.049 ( -1.459 3.511 -0.436) 3.827 22.132 ( 1.072 -2.419 -1.964) 3.295 22.241 ( -1.640 -2.676 1.880) 3.658 22.620 ( -0.762 0.531 1.650) 1.894 22.803 ( 1.453 -8.152 -0.955) 8.335 22.945 ( -1.027 -0.562 -0.677) 1.353 23.157 ( -0.924 -6.457 -0.747) 6.565 23.197 ( -2.188 -8.589 0.970) 8.917 ======================= Grid point 41 (30/102) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 3.890 0.000) 3.890 1.884 ( 0.000 3.951 0.000) 3.951 1.965 ( 0.000 3.205 0.000) 3.205 2.044 ( -0.000 -5.245 -0.000) 5.245 2.114 ( 0.000 3.747 0.000) 3.747 2.372 ( 0.000 0.541 0.000) 0.541 2.463 ( 0.000 3.232 0.000) 3.232 2.595 ( 0.000 5.531 0.000) 5.531 2.663 ( -0.000 -3.704 -0.000) 3.704 2.691 ( -0.000 -5.077 -0.000) 5.077 2.943 ( 0.000 7.834 0.000) 7.834 2.973 ( 0.000 3.772 0.000) 3.772 3.085 ( 0.000 2.276 0.000) 2.276 3.137 ( -0.000 -5.929 -0.000) 5.929 3.210 ( 0.000 0.745 0.000) 0.745 3.320 ( -0.000 -5.419 -0.000) 5.419 3.335 ( -0.000 -2.149 -0.000) 2.149 3.377 ( 0.000 4.185 0.000) 4.185 3.539 ( 0.000 1.993 0.000) 1.993 3.639 ( -0.000 -1.025 -0.000) 1.025 3.779 ( -0.000 -1.340 -0.000) 1.340 3.815 ( -0.000 -5.947 -0.000) 5.947 3.875 ( -0.000 -4.731 -0.000) 4.731 3.898 ( 0.000 0.535 0.000) 0.535 4.110 ( 0.000 4.603 0.000) 4.603 4.149 ( -0.000 -0.510 -0.000) 0.510 4.159 ( -0.000 -5.749 -0.000) 5.749 4.506 ( -0.000 -3.145 -0.000) 3.145 4.540 ( 0.000 2.732 0.000) 2.732 4.701 ( -0.000 -5.805 -0.000) 5.805 4.960 ( 0.000 1.067 0.000) 1.067 4.992 ( -0.000 -1.796 -0.000) 1.796 5.131 ( -0.000 -0.601 -0.000) 0.601 5.186 ( -0.000 -7.647 -0.000) 7.647 5.204 ( 0.000 0.771 0.000) 0.771 5.438 ( 0.000 1.878 0.000) 1.878 5.573 ( -0.000 -4.784 -0.000) 4.784 5.617 ( 0.000 0.569 0.000) 0.569 5.755 ( 0.000 2.029 0.000) 2.029 5.934 ( -0.000 -0.058 -0.000) 0.058 6.050 ( 0.000 0.474 0.000) 0.474 6.366 ( 0.000 4.495 0.000) 4.495 6.537 ( -0.000 -0.060 -0.000) 0.060 6.638 ( 0.000 11.272 0.000) 11.272 6.746 ( -0.000 -0.058 -0.000) 0.058 6.904 ( 0.000 13.267 0.000) 13.267 7.066 ( 0.000 4.018 0.000) 4.018 7.246 ( -0.000 -7.113 -0.000) 7.113 7.263 ( 0.000 4.482 0.000) 4.482 7.408 ( 0.000 5.927 0.000) 5.927 7.920 ( -0.000 -3.793 -0.000) 3.793 7.950 ( 0.000 4.154 0.000) 4.154 8.174 ( -0.000 -5.732 -0.000) 5.732 8.274 ( 0.000 6.977 0.000) 6.977 8.456 ( 0.000 4.909 0.000) 4.909 8.723 ( -0.000 -4.770 -0.000) 4.770 8.990 ( -0.000 -2.475 -0.000) 2.475 9.191 ( -0.000 -3.984 -0.000) 3.984 9.357 ( -0.000 -2.867 -0.000) 2.867 9.397 ( -0.000 -2.438 -0.000) 2.438 9.834 ( 0.000 3.135 0.000) 3.135 10.055 ( 0.000 6.705 0.000) 6.705 10.435 ( -0.000 -2.914 -0.000) 2.914 10.659 ( -0.000 -0.833 -0.000) 0.833 10.799 ( 0.000 2.534 0.000) 2.534 10.986 ( 0.000 1.578 0.000) 1.578 11.082 ( 0.000 2.604 0.000) 2.604 11.088 ( -0.000 -0.037 -0.000) 0.037 11.287 ( 0.000 5.246 0.000) 5.246 11.597 ( 0.000 2.736 0.000) 2.736 11.664 ( 0.000 12.534 0.000) 12.534 11.844 ( 0.000 3.761 0.000) 3.761 12.175 ( 0.000 0.912 0.000) 0.912 12.226 ( -0.000 -0.751 -0.000) 0.751 12.700 ( 0.000 3.806 0.000) 3.806 12.746 ( 0.000 2.112 0.000) 2.112 13.327 ( -0.000 -4.754 -0.000) 4.754 13.384 ( 0.000 1.667 0.000) 1.667 13.434 ( 0.000 1.435 0.000) 1.435 13.674 ( -0.000 -5.576 -0.000) 5.576 15.775 ( 0.000 0.017 0.000) 0.017 15.911 ( -0.000 -2.873 -0.000) 2.873 17.561 ( -0.000 -2.517 -0.000) 2.517 17.593 ( -0.000 -3.117 -0.000) 3.117 18.124 ( 0.000 2.658 0.000) 2.658 18.179 ( 0.000 4.037 0.000) 4.037 18.477 ( 0.000 4.704 0.000) 4.704 18.898 ( 0.000 10.683 0.000) 10.683 19.136 ( 0.000 0.415 0.000) 0.415 19.322 ( 0.000 10.636 0.000) 10.636 19.706 ( -0.000 -6.961 -0.000) 6.961 19.774 ( -0.000 -9.547 -0.000) 9.547 21.584 ( 0.000 6.721 0.000) 6.721 21.740 ( 0.000 4.440 0.000) 4.440 22.034 ( -0.000 -2.882 -0.000) 2.882 22.165 ( -0.000 -0.684 -0.000) 0.684 22.274 ( -0.000 -1.174 -0.000) 1.174 22.628 ( -0.000 -1.656 -0.000) 1.656 22.904 ( 0.000 4.226 0.000) 4.226 22.948 ( -0.000 -7.249 -0.000) 7.249 23.250 ( -0.000 -4.645 -0.000) 4.645 23.348 ( -0.000 -7.954 -0.000) 7.954 ======================= Grid point 48 (31/102) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 18.315 0.000 -2.266) 18.455 1.425 ( 17.058 0.000 -5.422) 17.899 1.602 ( 8.708 0.000 1.835) 8.899 1.725 ( 8.301 0.000 5.109) 9.747 2.133 ( 4.198 0.000 1.500) 4.458 2.283 ( -3.987 -0.000 -1.651) 4.315 2.363 ( -1.698 -0.000 3.830) 4.190 2.465 ( 0.119 0.000 -3.176) 3.178 2.551 ( -3.181 -0.000 2.114) 3.819 2.626 ( 17.801 0.000 -5.919) 18.760 2.815 ( 1.851 0.000 -4.820) 5.164 2.890 ( 3.391 0.000 -0.615) 3.447 2.950 ( 2.093 0.000 5.266) 5.666 3.044 ( -2.259 -0.000 6.174) 6.574 3.203 ( 0.311 0.000 -4.922) 4.932 3.204 ( 4.626 0.000 4.002) 6.117 3.372 ( -11.293 -0.000 4.159) 12.035 3.551 ( 2.400 0.000 -3.650) 4.369 3.560 ( 5.845 0.000 3.717) 6.927 3.637 ( -1.894 -0.000 -1.441) 2.380 3.763 ( -0.024 -0.000 -5.900) 5.900 3.839 ( 1.041 0.000 4.120) 4.249 3.898 ( -8.370 -0.000 -4.681) 9.589 4.069 ( 8.680 0.000 -2.708) 9.092 4.253 ( -3.422 -0.000 -1.457) 3.720 4.287 ( 3.147 0.000 6.825) 7.515 4.445 ( -0.466 -0.000 -0.430) 0.635 4.511 ( -6.901 -0.000 -0.449) 6.915 4.580 ( 0.531 0.000 -2.620) 2.674 4.770 ( -5.238 -0.000 2.902) 5.989 4.849 ( 1.522 0.000 -0.755) 1.699 4.895 ( -2.648 -0.000 -1.074) 2.858 4.921 ( -9.012 -0.000 -2.349) 9.313 5.019 ( -7.608 -0.000 2.908) 8.145 5.106 ( -3.201 -0.000 -2.234) 3.904 5.153 ( -4.085 -0.000 0.850) 4.173 5.241 ( -9.267 -0.000 6.263) 11.185 5.447 ( -3.901 -0.000 1.220) 4.087 5.471 ( 15.108 0.000 -4.787) 15.848 5.925 ( -5.964 -0.000 3.245) 6.790 6.115 ( 7.680 0.000 -0.878) 7.730 6.164 ( 0.498 0.000 -2.338) 2.390 6.434 ( 5.679 0.000 -2.957) 6.403 6.439 ( -7.810 -0.000 1.906) 8.039 7.036 ( 4.856 0.000 -5.179) 7.100 7.061 ( 7.391 0.000 4.521) 8.665 7.223 ( 2.953 0.000 0.163) 2.957 7.258 ( 0.022 0.000 2.059) 2.059 7.694 ( 1.892 0.000 -4.101) 4.516 7.960 ( -10.066 -0.000 1.315) 10.152 8.099 ( -5.983 -0.000 -4.606) 7.551 8.244 ( 2.781 0.000 -1.036) 2.968 8.291 ( 2.738 0.000 7.800) 8.267 8.354 ( -0.420 -0.000 1.461) 1.520 8.437 ( -6.220 -0.000 2.625) 6.751 8.763 ( -3.091 -0.000 -3.411) 4.603 9.131 ( -4.498 -0.000 5.299) 6.951 9.265 ( 6.047 0.000 -4.761) 7.696 9.713 ( 5.576 0.000 -8.222) 9.934 9.797 ( -17.531 -0.000 7.274) 18.980 10.028 ( -7.522 -0.000 -1.066) 7.597 10.235 ( 7.222 0.000 -0.560) 7.243 10.444 ( 9.060 0.000 4.534) 10.131 10.647 ( -0.195 -0.000 -6.701) 6.704 10.697 ( -0.010 -0.000 1.430) 1.430 10.889 ( 7.235 0.000 0.747) 7.274 11.284 ( 1.843 0.000 -3.050) 3.563 11.387 ( 4.976 0.000 0.754) 5.032 11.533 ( 14.337 0.000 -2.237) 14.510 11.619 ( 6.438 0.000 4.497) 7.853 11.869 ( 1.122 0.000 3.793) 3.955 11.886 ( -4.105 -0.000 -4.026) 5.750 12.287 ( 1.912 0.000 -1.015) 2.165 12.361 ( -1.806 -0.000 0.701) 1.937 12.990 ( -4.468 -0.000 -0.872) 4.552 13.043 ( -1.817 -0.000 0.471) 1.878 13.551 ( 9.391 0.000 1.504) 9.511 13.624 ( 6.516 0.000 -2.586) 7.010 13.898 ( -6.212 -0.000 0.063) 6.212 13.903 ( -2.285 -0.000 1.221) 2.590 15.730 ( -9.032 -0.000 -3.614) 9.728 15.898 ( -12.179 -0.000 3.577) 12.693 17.630 ( 9.749 0.000 1.688) 9.894 17.669 ( 4.849 0.000 -1.708) 5.141 18.298 ( 8.122 0.000 2.020) 8.369 18.437 ( 3.330 0.000 -3.995) 5.201 18.699 ( -7.978 -0.000 3.171) 8.585 18.750 ( -11.384 -0.000 -1.899) 11.542 19.791 ( -1.076 -0.000 -1.761) 2.064 19.950 ( -3.253 -0.000 1.546) 3.602 20.440 ( -1.047 -0.000 1.926) 2.192 20.875 ( 4.356 0.000 -2.477) 5.011 20.908 ( 3.633 0.000 2.661) 4.503 21.594 ( 5.120 0.000 -16.903) 17.661 21.729 ( -3.591 -0.000 10.526) 11.121 22.020 ( 2.855 0.000 0.837) 2.975 22.146 ( 4.208 0.000 -1.011) 4.328 22.420 ( -0.416 -0.000 2.443) 2.478 22.474 ( 4.617 0.000 -0.285) 4.626 22.675 ( -0.363 -0.000 1.357) 1.404 22.892 ( -6.019 -0.000 -1.026) 6.106 22.929 ( -5.227 -0.000 0.933) 5.310 ======================= Grid point 49 (32/102) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 6.354 3.919 1.063) 7.541 1.568 ( 5.194 5.359 2.939) 8.021 1.664 ( 16.406 -10.051 -6.550) 20.325 1.882 ( 5.352 -6.597 2.813) 8.949 2.185 ( 0.289 -2.171 -1.929) 2.919 2.215 ( 1.383 2.803 -2.199) 3.821 2.387 ( -5.934 -3.845 4.430) 8.344 2.486 ( -0.725 -1.229 0.418) 1.486 2.541 ( -1.540 -2.652 -1.135) 3.270 2.751 ( 5.578 0.195 -3.852) 6.782 2.818 ( 7.398 -3.358 -2.293) 8.441 2.890 ( -0.732 1.656 7.129) 7.356 3.039 ( 0.523 -4.493 -0.595) 4.562 3.066 ( 1.866 -2.539 1.316) 3.415 3.179 ( 2.432 2.403 -1.742) 3.837 3.257 ( 4.776 -0.439 1.811) 5.126 3.301 ( -12.945 -2.180 3.613) 13.616 3.488 ( 3.532 5.018 -4.169) 7.419 3.588 ( 3.023 1.893 3.069) 4.706 3.669 ( -1.055 -0.236 -1.768) 2.073 3.703 ( -0.968 1.712 -1.041) 2.225 3.795 ( -7.475 2.553 -2.681) 8.342 3.949 ( 8.921 -5.865 -1.176) 10.741 4.040 ( 4.142 7.431 -0.793) 8.545 4.167 ( -1.810 5.187 2.669) 6.108 4.291 ( 0.244 4.487 1.397) 4.705 4.460 ( -5.969 1.011 -2.776) 6.661 4.483 ( 0.552 -3.531 1.369) 3.827 4.597 ( 0.333 -0.739 0.215) 0.839 4.745 ( -3.301 2.823 0.592) 4.383 4.760 ( 0.124 2.163 -2.759) 3.509 4.840 ( -8.229 -0.016 3.043) 8.774 4.897 ( -0.656 -2.591 -1.087) 2.885 5.045 ( -3.393 1.184 -1.005) 3.731 5.109 ( -9.408 1.097 1.683) 9.620 5.152 ( 1.612 -8.364 -1.241) 8.608 5.225 ( -3.630 -5.839 1.479) 7.033 5.419 ( -3.854 0.139 2.557) 4.627 5.603 ( 13.637 -3.458 -3.607) 14.524 5.910 ( -8.220 -2.773 4.007) 9.556 6.100 ( 4.273 4.163 -0.683) 6.005 6.248 ( 4.892 -5.745 -4.545) 8.809 6.357 ( -5.302 1.097 2.333) 5.895 6.558 ( 4.051 -6.749 -0.962) 7.930 7.040 ( 2.816 1.889 -3.805) 5.097 7.110 ( 6.574 1.331 4.602) 8.134 7.225 ( 2.093 1.261 -1.620) 2.932 7.288 ( -0.716 -2.531 2.159) 3.402 7.667 ( -0.792 2.959 -2.836) 4.174 7.880 ( -8.336 1.868 2.223) 8.827 8.033 ( -4.647 1.801 -3.383) 6.024 8.193 ( 1.775 4.412 3.258) 5.765 8.348 ( -5.065 -0.991 -0.073) 5.162 8.370 ( 0.492 -3.507 3.605) 5.054 8.446 ( 3.686 -1.444 -1.991) 4.431 8.659 ( -3.135 7.466 -0.165) 8.099 9.117 ( -4.212 -0.338 2.583) 4.952 9.263 ( 5.379 3.375 -4.034) 7.523 9.633 ( -10.252 5.822 3.315) 12.247 9.750 ( 1.592 -1.553 -4.752) 5.247 9.930 ( -5.382 5.731 1.185) 7.951 10.303 ( 5.046 -1.970 -0.978) 5.505 10.468 ( 6.939 4.806 1.268) 8.535 10.596 ( 0.387 3.114 -2.031) 3.738 10.711 ( 0.008 -1.317 1.947) 2.350 10.925 ( 6.277 1.160 -0.486) 6.401 11.244 ( 1.773 3.882 -0.579) 4.307 11.380 ( 3.483 4.724 0.476) 5.889 11.653 ( 9.772 -4.363 -0.099) 10.702 11.769 ( 4.280 -6.732 1.705) 8.158 11.835 ( -2.888 1.197 -3.295) 4.542 11.889 ( 1.326 -1.223 1.950) 2.657 12.290 ( 2.139 1.225 -0.418) 2.500 12.354 ( -1.818 -0.175 0.200) 1.838 12.975 ( -3.437 -2.160 -0.835) 4.144 13.059 ( -1.412 -2.998 0.473) 3.348 13.467 ( 7.402 13.307 -0.192) 15.228 13.621 ( 8.388 9.674 0.096) 12.804 13.773 ( -6.192 4.547 0.021) 7.682 13.865 ( -4.919 3.560 0.488) 6.092 15.674 ( -6.440 -1.287 -1.251) 6.686 15.844 ( -8.729 -1.715 1.195) 8.976 17.599 ( 7.675 7.137 0.115) 10.481 17.695 ( 1.444 1.839 -0.124) 2.341 18.274 ( 13.045 4.335 0.617) 13.760 18.567 ( -0.381 -3.158 -2.059) 3.789 18.665 ( -7.919 -0.313 0.670) 7.953 18.756 ( -9.123 -12.550 0.815) 15.537 19.657 ( -1.678 11.710 -0.923) 11.866 19.808 ( -1.456 11.029 0.872) 11.159 20.270 ( -0.185 16.473 -0.665) 16.487 20.740 ( 4.290 16.958 1.548) 17.560 21.072 ( 1.886 -13.349 -0.735) 13.502 21.635 ( 5.556 -4.497 -6.468) 9.640 21.798 ( -1.583 -7.473 4.891) 9.070 22.044 ( 2.061 -0.377 1.217) 2.423 22.331 ( -0.934 -12.397 -3.346) 12.874 22.460 ( 3.431 2.352 -3.425) 5.389 22.465 ( -1.019 -4.568 5.016) 6.861 22.676 ( 0.575 0.664 1.445) 1.691 22.851 ( -4.894 -0.926 -1.217) 5.127 22.945 ( -4.091 -4.677 1.014) 6.296 ======================= Grid point 50 (33/102) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.499 -1.255 1.871) 2.308 1.566 ( 2.910 -1.455 1.033) 3.413 1.933 ( 10.693 -8.457 -4.498) 14.356 1.998 ( 2.091 -2.574 1.070) 3.484 2.118 ( -0.446 3.269 -3.174) 4.578 2.285 ( 1.605 -4.538 -0.252) 4.820 2.404 ( -7.362 -2.513 3.272) 8.439 2.521 ( 0.634 -2.226 2.251) 3.228 2.614 ( 3.540 -4.279 -3.396) 6.510 2.720 ( -8.575 -0.739 2.359) 8.924 2.854 ( 3.381 3.656 2.463) 5.556 2.987 ( 11.182 -4.820 -2.213) 12.376 3.070 ( -3.452 -2.245 1.433) 4.361 3.143 ( 1.379 -0.342 -0.071) 1.422 3.170 ( -3.061 -2.618 -0.428) 4.051 3.249 ( -4.408 -2.662 1.402) 5.337 3.355 ( 4.071 -3.451 -0.481) 5.359 3.454 ( 6.992 2.246 -4.638) 8.686 3.544 ( -5.080 2.281 2.920) 6.287 3.607 ( 2.940 3.489 -2.097) 5.021 3.674 ( -5.274 1.208 0.861) 5.478 3.751 ( -1.248 -1.127 0.033) 1.682 3.905 ( 2.227 9.240 -0.868) 9.545 4.043 ( -0.210 5.351 0.604) 5.389 4.123 ( 0.029 -2.507 0.227) 2.517 4.196 ( 6.636 4.397 2.227) 8.266 4.356 ( -5.493 4.142 -3.498) 7.718 4.523 ( 0.289 1.542 1.936) 2.492 4.579 ( -4.108 2.916 1.303) 5.204 4.645 ( -2.783 1.522 -0.928) 3.305 4.744 ( -4.217 -3.248 -0.450) 5.342 4.886 ( 5.464 -0.833 2.725) 6.163 4.971 ( 1.126 -4.884 -0.651) 5.054 5.004 ( -2.444 -0.777 -1.587) 3.016 5.061 ( -5.408 -4.982 -0.889) 7.406 5.275 ( -0.157 -3.099 -1.613) 3.498 5.363 ( 1.353 -8.644 -1.117) 8.821 5.419 ( -4.007 -3.694 4.025) 6.775 5.763 ( 10.923 -4.222 -2.604) 11.996 5.904 ( -8.461 -2.334 3.616) 9.493 6.050 ( 2.684 3.844 -1.019) 4.797 6.332 ( -2.862 -2.565 -0.486) 3.873 6.386 ( 3.619 -4.648 -0.691) 5.931 6.705 ( 2.151 -6.634 -0.201) 6.977 6.997 ( 0.363 3.044 -1.562) 3.440 7.132 ( 5.229 2.729 4.898) 7.667 7.199 ( 0.247 1.799 -3.709) 4.130 7.346 ( -0.957 -4.259 1.466) 4.605 7.555 ( -2.726 7.536 -1.397) 8.134 7.766 ( -3.397 6.613 0.809) 7.479 7.965 ( -1.688 2.389 -0.669) 3.001 8.144 ( 1.750 3.726 2.413) 4.772 8.299 ( -4.519 3.373 -1.715) 5.894 8.426 ( 2.918 -1.097 -0.695) 3.193 8.499 ( 1.225 -1.427 -3.700) 4.150 8.525 ( -4.109 1.155 5.266) 6.779 9.071 ( -2.286 3.329 1.079) 4.180 9.243 ( 4.833 1.302 -3.204) 5.943 9.445 ( -5.140 8.926 2.438) 10.585 9.740 ( -0.420 10.154 -3.323) 10.692 9.804 ( -1.023 -2.083 1.858) 2.973 10.347 ( 0.603 0.009 0.099) 0.611 10.414 ( 4.821 4.922 -1.172) 6.989 10.555 ( 0.234 1.005 -0.151) 1.043 10.755 ( -0.086 -2.596 2.161) 3.379 10.953 ( 5.078 -0.025 -1.092) 5.194 11.181 ( -0.123 3.704 0.108) 3.707 11.291 ( 0.245 6.216 0.489) 6.240 11.758 ( 0.300 4.467 -1.251) 4.648 11.791 ( 4.439 -2.016 1.413) 5.076 11.873 ( -0.057 -3.503 -1.338) 3.750 11.961 ( 4.291 -2.570 0.728) 5.054 12.271 ( 1.066 2.279 0.709) 2.614 12.336 ( -2.076 0.485 -0.661) 2.232 13.014 ( -1.614 -4.233 -0.674) 4.580 13.125 ( -0.404 -4.140 0.263) 4.167 13.224 ( 3.858 17.218 0.327) 17.648 13.389 ( 4.734 18.563 0.340) 19.160 13.662 ( -4.130 4.327 -0.369) 5.993 13.766 ( -2.646 3.509 0.280) 4.403 15.680 ( -2.990 -3.270 -0.285) 4.440 15.825 ( -4.051 -1.237 0.147) 4.238 17.544 ( 7.054 4.729 -0.101) 8.493 17.633 ( -4.011 3.170 0.122) 5.114 18.287 ( 8.480 5.032 0.640) 9.881 18.531 ( -1.771 4.141 -2.085) 4.963 18.661 ( -1.511 -1.693 1.109) 2.525 18.944 ( -6.103 -13.352 0.830) 14.704 19.442 ( -0.648 9.326 -0.174) 9.350 19.606 ( -0.940 9.354 0.422) 9.410 19.932 ( 0.814 19.218 -1.655) 19.306 20.394 ( 2.130 23.203 0.900) 23.318 21.340 ( 0.896 -14.126 0.160) 14.156 21.752 ( 4.497 -3.648 -2.717) 6.396 21.951 ( -1.212 -8.628 2.519) 9.069 22.068 ( 1.033 -0.652 0.991) 1.573 22.329 ( -0.033 6.114 -1.128) 6.217 22.543 ( 2.289 -5.824 -1.254) 6.382 22.635 ( -5.138 -13.530 3.618) 14.918 22.666 ( 0.620 0.529 -1.919) 2.085 22.876 ( -1.112 -5.485 -1.569) 5.812 23.010 ( -2.586 -4.492 1.177) 5.315 ======================= Grid point 51 (34/102) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.000 -7.981 -0.000) 7.981 1.658 ( -0.000 -6.980 -0.000) 6.980 2.006 ( 0.000 0.199 0.000) 0.199 2.062 ( 0.000 3.609 0.000) 3.609 2.093 ( -0.000 -4.826 -0.000) 4.826 2.408 ( -0.000 -2.147 -0.000) 2.147 2.417 ( -0.000 -7.942 -0.000) 7.942 2.519 ( 0.000 1.855 0.000) 1.855 2.683 ( 0.000 2.060 0.000) 2.060 2.696 ( -0.000 -1.660 -0.000) 1.660 2.856 ( -0.000 -3.023 -0.000) 3.023 3.076 ( 0.000 0.627 0.000) 0.627 3.117 ( -0.000 -3.760 -0.000) 3.760 3.152 ( -0.000 -0.364 -0.000) 0.364 3.182 ( -0.000 -2.820 -0.000) 2.820 3.284 ( -0.000 -0.365 -0.000) 0.365 3.375 ( 0.000 3.933 0.000) 3.933 3.460 ( 0.000 1.814 0.000) 1.814 3.523 ( -0.000 -4.314 -0.000) 4.314 3.619 ( -0.000 -0.837 -0.000) 0.837 3.644 ( -0.000 -3.725 -0.000) 3.725 3.753 ( 0.000 0.347 0.000) 0.347 3.760 ( 0.000 7.370 0.000) 7.370 3.950 ( 0.000 4.282 0.000) 4.282 4.049 ( 0.000 2.792 0.000) 2.792 4.247 ( 0.000 4.495 0.000) 4.495 4.283 ( -0.000 -1.997 -0.000) 1.997 4.421 ( 0.000 5.217 0.000) 5.217 4.545 ( -0.000 -1.861 -0.000) 1.861 4.624 ( 0.000 1.519 0.000) 1.519 4.828 ( -0.000 -6.901 -0.000) 6.901 4.912 ( -0.000 -1.092 -0.000) 1.092 5.014 ( -0.000 -1.891 -0.000) 1.891 5.070 ( -0.000 -4.403 -0.000) 4.403 5.206 ( -0.000 -10.257 -0.000) 10.257 5.270 ( 0.000 1.563 0.000) 1.563 5.495 ( -0.000 -4.477 -0.000) 4.477 5.501 ( -0.000 -5.571 -0.000) 5.571 5.857 ( 0.000 0.400 0.000) 0.400 5.900 ( -0.000 -1.913 -0.000) 1.913 6.015 ( 0.000 0.370 0.000) 0.370 6.385 ( -0.000 -4.337 -0.000) 4.337 6.452 ( -0.000 -0.897 -0.000) 0.897 6.797 ( -0.000 -1.416 -0.000) 1.416 6.973 ( -0.000 -2.125 -0.000) 2.125 7.070 ( 0.000 7.277 0.000) 7.277 7.176 ( 0.000 0.670 0.000) 0.670 7.356 ( 0.000 11.449 0.000) 11.449 7.430 ( -0.000 -3.563 -0.000) 3.563 7.598 ( 0.000 10.287 0.000) 10.287 7.915 ( 0.000 2.446 0.000) 2.446 8.089 ( 0.000 3.483 0.000) 3.483 8.173 ( 0.000 6.043 0.000) 6.043 8.451 ( 0.000 1.126 0.000) 1.126 8.521 ( -0.000 -4.569 -0.000) 4.569 8.557 ( -0.000 -1.345 -0.000) 1.345 8.995 ( 0.000 3.291 0.000) 3.291 9.266 ( 0.000 8.293 0.000) 8.293 9.271 ( -0.000 -1.798 -0.000) 1.798 9.530 ( 0.000 10.497 0.000) 10.497 9.851 ( -0.000 -2.095 -0.000) 2.095 10.304 ( 0.000 5.334 0.000) 5.334 10.375 ( 0.000 0.527 0.000) 0.527 10.570 ( -0.000 -2.227 -0.000) 2.227 10.799 ( -0.000 -1.900 -0.000) 1.900 10.988 ( -0.000 -1.028 -0.000) 1.028 11.123 ( 0.000 2.041 0.000) 2.041 11.184 ( 0.000 5.178 0.000) 5.178 11.625 ( 0.000 9.729 0.000) 9.729 11.790 ( 0.000 3.779 0.000) 3.779 11.924 ( -0.000 -0.374 -0.000) 0.374 11.990 ( 0.000 1.610 0.000) 1.610 12.232 ( 0.000 2.162 0.000) 2.162 12.299 ( 0.000 2.788 0.000) 2.788 12.955 ( 0.000 12.866 0.000) 12.866 13.021 ( 0.000 14.957 0.000) 14.957 13.096 ( -0.000 -5.558 -0.000) 5.558 13.284 ( -0.000 -5.559 -0.000) 5.559 13.560 ( 0.000 5.140 0.000) 5.140 13.693 ( 0.000 3.627 0.000) 3.627 15.732 ( -0.000 -3.271 -0.000) 3.271 15.829 ( -0.000 -1.011 -0.000) 1.011 17.525 ( 0.000 1.590 0.000) 1.590 17.561 ( 0.000 1.302 0.000) 1.302 18.224 ( 0.000 4.677 0.000) 4.677 18.404 ( 0.000 8.128 0.000) 8.128 18.661 ( 0.000 1.817 0.000) 1.817 19.131 ( -0.000 -7.898 -0.000) 7.898 19.284 ( 0.000 9.529 0.000) 9.529 19.516 ( -0.000 -0.647 -0.000) 0.647 19.650 ( 0.000 10.162 0.000) 10.162 19.976 ( 0.000 23.381 0.000) 23.381 21.572 ( -0.000 -10.962 -0.000) 10.962 21.782 ( 0.000 2.294 0.000) 2.294 22.068 ( -0.000 -3.296 -0.000) 3.296 22.092 ( -0.000 -1.809 -0.000) 1.809 22.225 ( 0.000 3.467 0.000) 3.467 22.639 ( 0.000 1.478 0.000) 1.478 22.666 ( -0.000 -7.263 -0.000) 7.263 22.844 ( -0.000 -9.845 -0.000) 9.845 23.015 ( -0.000 -9.457 -0.000) 9.457 23.069 ( -0.000 -3.589 -0.000) 3.589 ======================= Grid point 61 (35/102) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 8.044 0.000 -2.598) 8.453 1.581 ( 6.051 0.000 -3.757) 7.123 1.704 ( 3.247 0.000 3.123) 4.505 1.805 ( 0.495 0.000 4.614) 4.640 2.161 ( 0.004 0.000 -1.626) 1.626 2.252 ( 0.817 0.000 -0.926) 1.234 2.307 ( -3.727 -0.000 0.615) 3.777 2.484 ( -4.379 -0.000 1.694) 4.695 2.524 ( 9.182 0.000 -1.552) 9.312 2.707 ( -10.566 -0.000 -0.371) 10.573 2.888 ( 17.108 0.000 -4.067) 17.584 2.923 ( -0.742 -0.000 3.406) 3.486 3.005 ( 2.280 0.000 -1.463) 2.709 3.052 ( 1.536 0.000 0.010) 1.536 3.177 ( -12.212 -0.000 3.298) 12.650 3.213 ( -2.224 -0.000 0.886) 2.394 3.295 ( 4.033 0.000 2.275) 4.630 3.588 ( 4.674 0.000 -4.133) 6.239 3.619 ( 0.108 0.000 -1.183) 1.188 3.623 ( 0.189 0.000 2.473) 2.480 3.712 ( -6.398 -0.000 1.530) 6.578 3.770 ( -3.129 -0.000 -3.857) 4.967 3.969 ( 12.119 0.000 -0.166) 12.121 4.143 ( 1.934 0.000 0.077) 1.935 4.195 ( -3.708 -0.000 0.454) 3.735 4.362 ( 3.256 0.000 2.280) 3.975 4.407 ( -5.977 -0.000 -0.570) 6.004 4.450 ( 0.540 0.000 -0.483) 0.724 4.613 ( 3.813 0.000 -0.248) 3.821 4.718 ( -11.322 -0.000 -0.787) 11.349 4.734 ( -1.025 -0.000 0.539) 1.158 4.855 ( -0.249 -0.000 -2.204) 2.218 4.912 ( 5.019 0.000 -0.032) 5.019 5.005 ( 0.721 0.000 0.329) 0.793 5.053 ( -1.309 -0.000 -3.450) 3.690 5.102 ( -2.597 -0.000 0.488) 2.643 5.111 ( -10.267 -0.000 6.263) 12.027 5.418 ( -0.946 -0.000 0.904) 1.308 5.657 ( 12.099 0.000 -4.481) 12.902 5.824 ( -9.206 -0.000 4.505) 10.249 6.159 ( 0.081 0.000 -1.325) 1.328 6.226 ( 8.047 0.000 -2.916) 8.559 6.334 ( -7.705 -0.000 3.080) 8.298 6.508 ( 3.781 0.000 -1.249) 3.982 7.072 ( 2.022 0.000 -2.271) 3.040 7.176 ( 5.059 0.000 3.863) 6.366 7.241 ( -0.453 -0.000 -2.013) 2.064 7.265 ( -0.025 -0.000 0.989) 0.990 7.688 ( -0.283 -0.000 -1.619) 1.644 7.844 ( -5.113 -0.000 1.578) 5.351 8.011 ( -2.806 -0.000 -2.429) 3.711 8.269 ( 0.854 0.000 -0.062) 0.856 8.293 ( -3.774 -0.000 3.771) 5.335 8.332 ( -0.134 -0.000 0.601) 0.615 8.464 ( 3.506 0.000 -0.655) 3.567 8.723 ( -0.892 -0.000 -1.303) 1.579 9.087 ( -2.706 -0.000 1.964) 3.344 9.325 ( 3.903 0.000 -3.009) 4.928 9.613 ( -8.962 -0.000 3.839) 9.750 9.733 ( 1.269 0.000 -3.358) 3.590 9.958 ( -2.016 -0.000 -0.105) 2.019 10.314 ( 2.962 0.000 -0.187) 2.968 10.565 ( 4.108 0.000 2.874) 5.014 10.624 ( -0.177 -0.000 -2.033) 2.041 10.699 ( -0.081 -0.000 -0.512) 0.519 10.975 ( 3.372 0.000 0.044) 3.372 11.288 ( 0.089 0.000 -0.589) 0.596 11.447 ( 2.259 0.000 0.611) 2.340 11.708 ( 3.081 0.000 1.555) 3.451 11.716 ( 9.781 0.000 -1.231) 9.858 11.813 ( -2.654 -0.000 -2.185) 3.438 11.860 ( -3.495 -0.000 2.057) 4.055 12.315 ( 1.502 0.000 -0.409) 1.556 12.348 ( -0.475 -0.000 0.246) 0.535 12.930 ( -2.435 -0.000 -0.398) 2.468 13.022 ( -0.865 -0.000 0.179) 0.883 13.643 ( 2.713 0.000 0.358) 2.736 13.706 ( 5.571 0.000 -1.388) 5.741 13.807 ( -5.744 -0.000 0.370) 5.756 13.890 ( -0.363 -0.000 0.799) 0.878 15.622 ( -3.635 -0.000 -0.891) 3.743 15.774 ( -4.884 -0.000 0.930) 4.972 17.717 ( 1.953 0.000 -0.584) 2.039 17.737 ( 3.599 0.000 0.647) 3.657 18.432 ( 8.786 0.000 1.986) 9.007 18.456 ( 0.957 0.000 -1.564) 1.833 18.582 ( -10.025 -0.000 -1.883) 10.201 18.631 ( -2.512 -0.000 1.333) 2.844 19.773 ( -0.575 -0.000 -0.407) 0.704 19.915 ( -1.539 -0.000 0.344) 1.578 20.429 ( -0.727 -0.000 0.420) 0.840 20.913 ( 1.572 0.000 -0.856) 1.790 20.957 ( 1.450 0.000 1.286) 1.938 21.590 ( 1.219 0.000 -5.168) 5.310 21.726 ( -0.901 -0.000 2.956) 3.090 22.053 ( 1.092 0.000 0.265) 1.123 22.183 ( 1.302 0.000 -0.461) 1.381 22.423 ( -0.244 -0.000 1.074) 1.101 22.535 ( 2.981 0.000 -0.044) 2.982 22.694 ( 1.554 0.000 0.244) 1.573 22.811 ( -3.504 -0.000 -0.545) 3.546 22.867 ( -2.975 -0.000 0.546) 3.024 ======================= Grid point 62 (36/102) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 0.000 6.991 0.000) 6.991 1.618 ( 0.000 5.369 0.000) 5.369 1.782 ( -0.000 -11.216 -0.000) 11.216 1.936 ( -0.000 -7.570 -0.000) 7.570 2.141 ( 0.000 1.441 0.000) 1.441 2.248 ( 0.000 0.193 0.000) 0.193 2.336 ( -0.000 -3.553 -0.000) 3.553 2.473 ( -0.000 -1.245 -0.000) 1.245 2.600 ( -0.000 -2.173 -0.000) 2.173 2.655 ( -0.000 -0.612 -0.000) 0.612 2.916 ( 0.000 1.255 0.000) 1.255 2.992 ( -0.000 -2.490 -0.000) 2.490 3.012 ( -0.000 -0.843 -0.000) 0.843 3.081 ( -0.000 -2.111 -0.000) 2.111 3.148 ( -0.000 -4.128 -0.000) 4.128 3.193 ( 0.000 1.886 0.000) 1.886 3.327 ( -0.000 -1.562 -0.000) 1.562 3.525 ( 0.000 3.495 0.000) 3.495 3.590 ( 0.000 3.912 0.000) 3.912 3.658 ( 0.000 1.800 0.000) 1.800 3.699 ( -0.000 -3.034 -0.000) 3.034 3.719 ( 0.000 3.140 0.000) 3.140 4.053 ( -0.000 -0.803 -0.000) 0.803 4.082 ( 0.000 4.743 0.000) 4.743 4.136 ( 0.000 4.202 0.000) 4.202 4.334 ( 0.000 4.843 0.000) 4.843 4.363 ( 0.000 1.789 0.000) 1.789 4.493 ( -0.000 -3.830 -0.000) 3.830 4.625 ( 0.000 0.923 0.000) 0.923 4.642 ( 0.000 2.261 0.000) 2.261 4.739 ( 0.000 1.659 0.000) 1.659 4.887 ( -0.000 -3.734 -0.000) 3.734 4.895 ( -0.000 -2.954 -0.000) 2.954 4.990 ( 0.000 5.280 0.000) 5.280 5.018 ( 0.000 0.953 0.000) 0.953 5.181 ( -0.000 -10.956 -0.000) 10.956 5.182 ( -0.000 -6.199 -0.000) 6.199 5.396 ( 0.000 1.297 0.000) 1.297 5.750 ( -0.000 -3.613 -0.000) 3.613 5.805 ( -0.000 -2.521 -0.000) 2.521 6.135 ( 0.000 3.426 0.000) 3.426 6.283 ( -0.000 -1.449 -0.000) 1.449 6.311 ( -0.000 -3.700 -0.000) 3.700 6.593 ( -0.000 -6.376 -0.000) 6.376 7.053 ( 0.000 2.569 0.000) 2.569 7.201 ( 0.000 0.544 0.000) 0.544 7.214 ( 0.000 1.788 0.000) 1.788 7.285 ( -0.000 -2.168 -0.000) 2.168 7.649 ( 0.000 3.928 0.000) 3.928 7.818 ( 0.000 1.380 0.000) 1.380 7.988 ( 0.000 1.102 0.000) 1.102 8.225 ( 0.000 3.780 0.000) 3.780 8.289 ( -0.000 -0.633 -0.000) 0.633 8.377 ( -0.000 -3.555 -0.000) 3.555 8.487 ( -0.000 -1.072 -0.000) 1.072 8.632 ( 0.000 8.304 0.000) 8.304 9.087 ( -0.000 -0.276 -0.000) 0.276 9.305 ( 0.000 3.097 0.000) 3.097 9.544 ( 0.000 4.330 0.000) 4.330 9.754 ( -0.000 -2.097 -0.000) 2.097 9.894 ( 0.000 6.227 0.000) 6.227 10.339 ( -0.000 -1.238 -0.000) 1.238 10.525 ( 0.000 5.330 0.000) 5.330 10.598 ( 0.000 2.570 0.000) 2.570 10.716 ( -0.000 -1.860 -0.000) 1.860 10.976 ( 0.000 0.797 0.000) 0.797 11.251 ( 0.000 3.621 0.000) 3.621 11.407 ( 0.000 5.363 0.000) 5.363 11.763 ( -0.000 -5.086 -0.000) 5.086 11.777 ( -0.000 -1.803 -0.000) 1.803 11.801 ( 0.000 0.259 0.000) 0.259 11.906 ( -0.000 -4.992 -0.000) 4.992 12.324 ( -0.000 -0.336 -0.000) 0.336 12.324 ( 0.000 2.225 0.000) 2.225 12.944 ( -0.000 -2.538 -0.000) 2.538 13.048 ( -0.000 -3.171 -0.000) 3.171 13.531 ( 0.000 12.964 0.000) 12.964 13.704 ( 0.000 11.042 0.000) 11.042 13.707 ( 0.000 2.559 0.000) 2.559 13.817 ( 0.000 4.493 0.000) 4.493 15.621 ( -0.000 -1.672 -0.000) 1.672 15.778 ( -0.000 -1.920 -0.000) 1.920 17.673 ( 0.000 4.849 0.000) 4.849 17.691 ( 0.000 5.221 0.000) 5.221 18.429 ( 0.000 5.307 0.000) 5.307 18.524 ( -0.000 -2.034 -0.000) 2.034 18.573 ( -0.000 -7.249 -0.000) 7.249 18.703 ( -0.000 -8.518 -0.000) 8.518 19.641 ( 0.000 11.981 0.000) 11.981 19.799 ( 0.000 10.350 0.000) 10.350 20.266 ( 0.000 15.985 0.000) 15.985 20.776 ( 0.000 16.623 0.000) 16.623 21.084 ( -0.000 -13.331 -0.000) 13.331 21.661 ( -0.000 -6.477 -0.000) 6.477 21.797 ( -0.000 -7.295 -0.000) 7.295 22.063 ( -0.000 -0.523 -0.000) 0.523 22.317 ( -0.000 -11.202 -0.000) 11.202 22.464 ( -0.000 -4.111 -0.000) 4.111 22.487 ( 0.000 4.236 0.000) 4.236 22.689 ( 0.000 1.144 0.000) 1.144 22.807 ( -0.000 -1.488 -0.000) 1.488 22.913 ( -0.000 -5.048 -0.000) 5.048 ======================= Grid point 125 (37/102) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -3.771 -0.000 21.009) 21.345 0.511 ( 14.032 0.000 22.797) 26.769 0.751 ( -16.559 -0.000 30.311) 34.539 0.902 ( 1.341 0.000 -13.247) 13.314 0.980 ( -12.464 -0.000 -19.335) 23.004 1.427 ( 16.265 0.000 -25.465) 30.216 1.965 ( 8.433 0.000 13.641) 16.037 2.259 ( -13.315 -0.000 -12.480) 18.249 2.353 ( -1.484 -0.000 5.118) 5.329 2.452 ( 0.287 0.000 -3.030) 3.044 2.794 ( -1.427 -0.000 9.086) 9.198 2.914 ( -0.572 -0.000 0.027) 0.573 3.021 ( -3.482 -0.000 5.604) 6.598 3.157 ( 0.264 0.000 -3.783) 3.793 3.293 ( -13.780 -0.000 3.705) 14.270 3.384 ( 4.583 0.000 -3.954) 6.053 3.394 ( -3.771 -0.000 1.924) 4.233 3.474 ( 3.985 0.000 -3.357) 5.211 3.489 ( 3.192 0.000 3.244) 4.551 3.629 ( -2.396 -0.000 -8.301) 8.640 3.799 ( -14.285 -0.000 7.505) 16.136 3.932 ( 0.649 0.000 1.847) 1.958 3.946 ( 6.385 0.000 -4.162) 7.621 3.979 ( -1.256 -0.000 -2.310) 2.630 4.256 ( 3.008 0.000 1.833) 3.523 4.381 ( 1.050 0.000 -7.807) 7.877 4.753 ( -3.045 -0.000 4.149) 5.146 4.755 ( -6.289 -0.000 4.732) 7.870 4.782 ( -5.598 -0.000 4.171) 6.982 4.836 ( -1.168 -0.000 0.376) 1.228 4.875 ( 4.171 0.000 -2.709) 4.974 4.909 ( 1.823 0.000 -4.072) 4.462 5.115 ( 3.171 0.000 0.160) 3.175 5.127 ( -2.141 -0.000 -0.898) 2.322 5.421 ( -5.693 -0.000 2.741) 6.319 5.428 ( -30.204 -0.000 3.173) 30.370 5.541 ( -0.901 -0.000 3.089) 3.218 5.590 ( 0.949 0.000 -3.323) 3.456 5.667 ( 15.785 0.000 -4.149) 16.321 5.668 ( -0.212 -0.000 -2.692) 2.700 5.992 ( -0.802 -0.000 0.382) 0.888 5.999 ( 2.836 0.000 -0.265) 2.848 6.267 ( 2.229 0.000 0.718) 2.342 6.282 ( -1.207 -0.000 -0.573) 1.336 6.764 ( 1.039 0.000 4.706) 4.819 6.895 ( -4.965 -0.000 -5.698) 7.558 6.949 ( 6.069 0.000 4.610) 7.621 7.081 ( -1.398 -0.000 -5.148) 5.334 7.276 ( -3.229 -0.000 8.471) 9.065 7.435 ( 1.924 0.000 -5.650) 5.968 7.859 ( -5.591 -0.000 5.948) 8.163 8.004 ( 4.171 0.000 -6.166) 7.444 8.454 ( -0.560 -0.000 1.761) 1.848 8.547 ( 11.621 0.000 -5.804) 12.990 8.800 ( -11.109 -0.000 9.544) 14.646 8.959 ( 4.590 0.000 -0.279) 4.599 9.115 ( 14.532 0.000 -3.154) 14.871 9.189 ( -4.657 -0.000 -5.029) 6.854 9.488 ( -3.649 -0.000 7.726) 8.544 9.657 ( 5.355 0.000 -7.841) 9.496 10.101 ( 2.402 0.000 10.071) 10.354 10.305 ( -23.943 -0.000 -7.826) 25.189 10.772 ( -13.033 -0.000 1.659) 13.138 10.794 ( 10.992 0.000 -0.306) 10.996 10.887 ( -14.316 -0.000 1.349) 14.380 10.917 ( 5.835 0.000 -1.082) 5.934 11.066 ( 1.181 0.000 0.498) 1.281 11.075 ( -1.611 -0.000 -0.335) 1.645 11.238 ( -52.515 -0.000 0.760) 52.520 11.264 ( 15.866 0.000 -1.373) 15.926 11.465 ( -2.144 -0.000 1.833) 2.821 11.508 ( 1.641 0.000 -1.692) 2.357 12.535 ( -0.518 -0.000 1.008) 1.133 12.565 ( 0.943 0.000 -1.537) 1.804 12.724 ( -7.471 -0.000 1.436) 7.608 12.751 ( 20.053 0.000 -0.913) 20.074 13.220 ( -1.146 -0.000 0.172) 1.159 13.224 ( 1.099 0.000 -0.157) 1.110 14.089 ( 0.485 0.000 0.125) 0.501 14.092 ( -0.311 -0.000 -0.124) 0.334 16.095 ( 17.856 0.000 0.213) 17.857 16.101 ( -55.647 -0.000 -0.216) 55.647 17.303 ( -4.772 -0.000 2.896) 5.582 17.386 ( 8.365 0.000 -4.290) 9.401 17.736 ( 11.756 0.000 4.674) 12.651 17.829 ( -0.812 -0.000 -3.323) 3.421 19.560 ( -3.171 -0.000 2.182) 3.849 19.604 ( 29.549 0.000 -1.231) 29.575 19.614 ( -4.365 -0.000 0.962) 4.470 19.646 ( -2.781 -0.000 -2.010) 3.431 20.120 ( -14.524 -0.000 0.081) 14.524 20.120 ( 1.654 0.000 0.036) 1.655 20.788 ( -0.016 -0.000 0.634) 0.635 20.803 ( 0.038 0.000 -0.606) 0.607 21.862 ( 0.057 0.000 0.395) 0.399 21.872 ( -0.119 -0.000 -0.489) 0.504 22.351 ( -0.779 -0.000 1.898) 2.051 22.396 ( 0.991 0.000 -1.868) 2.115 22.938 ( 3.933 0.000 1.362) 4.163 22.972 ( -13.113 -0.000 -1.510) 13.200 23.124 ( -1.571 -0.000 0.822) 1.772 23.140 ( 1.077 0.000 -0.578) 1.222 ======================= Grid point 126 (38/102) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 5.827 -7.076 14.932) 17.521 0.868 ( 9.522 -9.904 1.473) 13.818 0.906 ( 14.798 -9.781 0.014) 17.738 1.058 ( -2.281 -26.196 14.343) 29.953 1.087 ( 3.242 -15.020 -15.065) 21.519 1.539 ( 14.004 -5.731 -13.457) 20.250 2.047 ( -3.086 0.591 2.556) 4.051 2.103 ( 3.733 -1.672 5.215) 6.628 2.440 ( 1.160 -6.611 0.946) 6.778 2.540 ( 6.213 -7.054 -3.506) 10.032 2.757 ( -3.717 6.625 6.161) 9.781 2.911 ( 2.823 1.691 2.530) 4.150 2.960 ( -2.631 -2.770 2.856) 4.770 3.041 ( -0.673 7.378 -4.257) 8.545 3.254 ( -5.191 -3.928 4.067) 7.676 3.348 ( -1.890 0.636 0.158) 2.001 3.420 ( 0.971 1.543 -0.516) 1.895 3.485 ( 4.572 0.232 -2.400) 5.169 3.564 ( -0.982 -2.745 4.367) 5.250 3.675 ( -2.763 -3.219 -7.144) 8.309 3.768 ( -1.266 -2.390 3.896) 4.743 3.920 ( -1.547 0.670 -3.613) 3.987 3.983 ( -1.949 -0.861 3.807) 4.363 4.023 ( -4.232 -5.589 -3.538) 7.853 4.260 ( 4.825 3.830 -0.231) 6.164 4.364 ( 9.403 4.436 -6.242) 12.127 4.619 ( -6.178 5.065 6.633) 10.383 4.685 ( -4.972 6.946 2.875) 9.013 4.740 ( 1.984 3.609 2.586) 4.862 4.810 ( 1.329 3.249 2.310) 4.202 4.860 ( 1.278 0.213 -2.685) 2.981 4.946 ( -4.496 -1.777 -3.580) 6.016 5.105 ( 0.834 1.663 -2.389) 3.028 5.161 ( 4.400 -3.647 -1.372) 5.878 5.298 ( -15.158 -7.058 6.681) 18.006 5.381 ( -9.610 -1.411 4.009) 10.508 5.510 ( -8.976 0.223 4.241) 9.930 5.614 ( -3.750 2.644 -3.479) 5.759 5.718 ( 13.616 -1.776 -5.802) 14.907 5.787 ( 12.360 0.275 -1.094) 12.411 6.009 ( -1.720 -1.672 -2.047) 3.153 6.028 ( 6.043 -1.264 0.522) 6.196 6.236 ( 3.171 2.373 3.954) 5.597 6.373 ( 13.223 -0.673 -3.337) 13.655 6.772 ( 0.426 1.109 2.286) 2.576 6.819 ( -7.985 1.427 -0.722) 8.144 7.070 ( 6.390 -0.443 -2.977) 7.064 7.100 ( 7.065 -3.774 -0.596) 8.032 7.383 ( 2.384 -8.509 0.564) 8.855 7.460 ( 12.483 3.198 -6.122) 14.266 7.866 ( 0.300 -2.186 4.708) 5.199 8.029 ( 3.821 -0.608 -4.951) 6.284 8.387 ( 0.924 6.604 0.221) 6.672 8.492 ( 7.458 10.537 -4.612) 13.708 8.768 ( -10.274 -0.103 7.969) 13.002 9.050 ( 8.041 -3.846 -1.256) 9.002 9.076 ( -4.376 4.918 -1.622) 6.779 9.221 ( 6.682 1.110 -4.987) 8.412 9.471 ( -6.722 -0.459 9.800) 11.892 9.672 ( 0.547 0.815 -1.732) 1.991 9.820 ( -18.290 7.781 15.763) 25.368 10.059 ( 2.425 8.057 8.052) 11.646 10.531 ( -3.712 6.306 -1.044) 7.391 10.717 ( -4.568 5.405 0.941) 7.139 10.820 ( 3.800 7.577 -1.060) 8.542 10.849 ( 5.965 3.495 -5.854) 9.059 11.076 ( -9.173 -2.018 0.612) 9.412 11.089 ( -5.656 -2.787 5.187) 8.165 11.286 ( -0.685 -6.604 1.318) 6.769 11.445 ( 4.726 -2.357 -1.965) 5.635 11.507 ( 0.294 -5.193 -0.481) 5.223 11.637 ( 20.399 -2.856 3.248) 20.852 12.535 ( -2.192 4.058 -1.960) 5.011 12.551 ( -1.556 -1.849 0.670) 2.508 12.641 ( 1.170 2.963 -0.683) 3.258 12.708 ( 10.892 12.100 -0.179) 16.281 13.214 ( -1.310 0.236 0.623) 1.469 13.235 ( 0.365 -0.366 -0.142) 0.536 14.074 ( -0.658 2.057 1.341) 2.542 14.128 ( -1.168 -1.267 -4.456) 4.777 15.822 ( -10.778 1.042 7.896) 13.402 16.176 ( 17.080 6.877 2.491) 18.580 17.331 ( -5.878 -6.850 4.208) 9.959 17.454 ( 0.820 -4.666 -2.413) 5.317 17.707 ( -11.577 2.264 -2.670) 12.095 18.063 ( 26.057 -6.491 -6.154) 27.549 19.277 ( -11.641 10.053 1.970) 15.507 19.475 ( 9.649 16.173 -0.493) 18.839 19.536 ( 2.777 8.954 3.085) 9.869 19.637 ( 7.093 12.636 -5.222) 15.402 20.180 ( -18.158 -12.183 -0.834) 21.883 20.464 ( 20.080 -11.112 -4.114) 23.315 20.732 ( -7.346 -1.120 2.132) 7.731 20.868 ( 6.511 -4.137 -0.144) 7.715 21.855 ( 2.375 -1.528 4.448) 5.269 21.881 ( 0.232 -1.887 -0.955) 2.128 22.349 ( -0.954 -0.001 1.107) 1.461 22.405 ( 1.556 -0.850 -2.035) 2.699 22.922 ( -5.790 -2.277 5.029) 8.000 23.037 ( -3.847 -3.462 -6.098) 7.998 23.196 ( -4.198 -7.723 1.622) 8.939 23.247 ( -7.227 -12.926 -4.818) 15.573 ======================= Grid point 127 (39/102) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 10.634 -15.098 4.056) 18.907 0.998 ( 10.441 -4.473 -11.452) 16.130 1.285 ( 9.337 -12.201 -4.662) 16.056 1.371 ( 10.331 -17.075 1.925) 20.050 1.636 ( 8.310 -27.404 7.742) 29.665 1.786 ( 6.820 -11.810 4.007) 14.214 2.072 ( 1.211 -4.791 -1.460) 5.153 2.244 ( 8.857 -3.171 8.913) 12.959 2.572 ( 3.055 -5.553 -7.344) 9.701 2.619 ( -4.989 -0.603 0.427) 5.043 2.727 ( 11.557 -3.177 -5.563) 13.214 2.875 ( 3.393 4.849 -5.767) 8.264 2.982 ( 0.681 -3.848 5.495) 6.743 3.063 ( 1.065 -4.558 1.787) 5.011 3.265 ( -3.519 0.514 0.269) 3.567 3.344 ( -4.829 -2.320 0.521) 5.383 3.393 ( 0.261 0.980 1.849) 2.109 3.514 ( 5.327 0.512 -3.107) 6.188 3.559 ( -3.274 3.341 4.666) 6.607 3.634 ( -4.457 1.386 -2.574) 5.330 3.799 ( -1.886 -1.279 -1.245) 2.597 3.888 ( -1.588 1.293 -0.466) 2.100 3.953 ( -5.693 0.191 -0.839) 5.758 4.078 ( -6.040 -3.720 -0.510) 7.112 4.185 ( 3.138 5.314 -1.712) 6.404 4.336 ( 1.988 3.806 0.759) 4.360 4.492 ( 0.417 9.021 -1.220) 9.112 4.566 ( -0.235 1.911 6.764) 7.032 4.716 ( 0.164 1.659 2.329) 2.864 4.767 ( 1.311 3.967 -0.187) 4.182 4.810 ( -1.640 0.187 -0.568) 1.745 4.966 ( 1.437 -0.833 -4.510) 4.806 5.096 ( 0.160 -2.019 -1.654) 2.615 5.229 ( -2.268 -2.303 0.573) 3.283 5.331 ( -7.901 0.958 3.690) 8.773 5.391 ( -1.929 -3.203 -0.964) 3.862 5.446 ( -7.361 -3.606 3.607) 8.955 5.525 ( -2.354 2.404 -2.456) 4.166 5.801 ( 6.138 -0.437 -2.944) 6.821 5.815 ( 0.773 1.315 1.328) 2.022 6.049 ( 1.135 -3.716 -2.011) 4.375 6.132 ( 10.061 -3.190 -0.315) 10.560 6.255 ( 1.681 -1.302 3.795) 4.350 6.447 ( 12.728 2.813 -0.870) 13.064 6.669 ( -10.368 2.698 -5.259) 11.935 6.830 ( 4.567 -1.225 5.538) 7.282 7.092 ( 6.024 0.672 -2.871) 6.707 7.191 ( 15.772 5.274 -0.130) 16.631 7.469 ( 8.368 2.616 -1.331) 8.868 7.519 ( 2.589 -3.298 -4.333) 6.030 7.958 ( 6.415 -3.198 2.766) 7.683 8.064 ( 2.425 -1.757 -2.814) 4.109 8.265 ( 3.285 8.685 -0.582) 9.303 8.350 ( 3.138 6.540 -2.721) 7.748 8.670 ( -11.118 2.933 8.522) 14.312 8.929 ( -4.487 6.218 -2.519) 8.071 9.157 ( 1.960 -1.140 1.318) 2.623 9.205 ( 1.835 -0.233 0.242) 1.865 9.509 ( -5.902 -4.261 6.725) 9.910 9.667 ( -1.916 -0.054 7.732) 7.966 9.795 ( 6.858 -0.010 -2.742) 7.386 9.926 ( 1.899 8.555 -0.597) 8.784 10.413 ( -1.165 4.240 -2.585) 5.100 10.585 ( 1.814 5.638 -0.781) 5.974 10.741 ( 1.327 2.735 -0.474) 3.076 10.838 ( -0.097 0.169 -3.857) 3.862 11.016 ( -7.175 0.821 0.979) 7.288 11.128 ( -3.032 -3.538 5.766) 7.413 11.359 ( 4.066 -0.400 1.117) 4.236 11.464 ( 4.605 2.055 -0.715) 5.093 11.603 ( 3.317 -2.703 -2.075) 4.755 11.776 ( 11.595 2.111 2.254) 11.999 12.434 ( -2.338 2.871 -3.469) 5.074 12.515 ( -3.491 5.568 1.488) 6.738 12.613 ( 6.226 4.617 0.385) 7.761 12.634 ( 6.025 1.202 -0.396) 6.157 13.200 ( -1.601 -0.042 1.534) 2.218 13.239 ( -0.801 -0.571 -0.947) 1.366 14.002 ( -1.731 5.460 2.389) 6.206 14.073 ( -2.872 3.937 -3.969) 6.285 15.814 ( 0.180 -0.880 4.129) 4.226 16.138 ( 9.513 7.414 -1.124) 12.113 17.409 ( -11.164 -7.158 -0.187) 13.263 17.576 ( -0.678 -7.194 2.290) 7.580 17.634 ( 0.262 -1.662 -1.374) 2.172 18.255 ( 22.094 3.812 -0.824) 22.435 19.043 ( -8.819 11.306 -0.640) 14.353 19.195 ( 3.164 14.577 0.075) 14.916 19.391 ( 2.785 12.546 -2.469) 13.087 19.460 ( 8.290 9.724 1.200) 12.835 20.236 ( -13.082 -6.655 -1.001) 14.711 20.366 ( -7.717 12.324 -1.176) 14.588 20.950 ( 9.038 -6.145 0.382) 10.936 21.081 ( 9.932 -15.173 1.683) 18.213 21.925 ( -0.484 -3.452 -1.842) 3.943 21.980 ( 4.083 -7.027 2.936) 8.641 22.340 ( -1.673 0.178 0.713) 1.827 22.438 ( 2.363 -1.545 -2.751) 3.941 22.919 ( -5.703 -0.851 6.041) 8.351 23.040 ( -2.395 -1.335 -5.038) 5.735 23.289 ( -7.697 -6.420 2.968) 10.454 23.369 ( -7.445 -7.732 -4.414) 11.606 ======================= Grid point 128 (40/102) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 7.849 -9.604 -2.534) 12.659 1.220 ( 10.211 -15.706 0.527) 18.741 1.527 ( 6.347 -10.446 -4.658) 13.081 1.742 ( 11.772 -10.777 5.273) 16.808 1.973 ( 2.308 -6.175 5.281) 8.447 2.138 ( 4.800 -17.931 0.904) 18.585 2.227 ( 5.443 -11.339 -2.039) 12.742 2.384 ( 6.303 -6.181 7.199) 11.391 2.605 ( 5.312 7.223 -5.857) 10.710 2.650 ( 0.293 -4.144 -1.985) 4.605 2.812 ( 5.899 -6.306 -7.674) 11.552 2.949 ( 6.818 -3.408 -1.209) 7.718 3.034 ( -3.148 -1.271 2.800) 4.400 3.128 ( 1.528 0.433 3.289) 3.653 3.220 ( -5.269 -1.714 -0.275) 5.548 3.343 ( -3.647 -1.627 0.028) 3.993 3.392 ( -3.391 0.372 2.162) 4.039 3.439 ( -3.790 4.313 0.249) 5.747 3.499 ( 3.317 3.168 -2.001) 5.004 3.632 ( -1.356 -2.033 -1.152) 2.702 3.785 ( -2.092 0.856 -1.786) 2.880 3.830 ( -2.468 2.716 2.662) 4.533 3.919 ( -4.859 -1.037 -4.632) 6.793 4.047 ( -3.761 0.735 -1.197) 4.015 4.163 ( 1.592 0.511 3.252) 3.657 4.265 ( -3.057 2.833 4.758) 6.325 4.334 ( 0.049 8.202 0.736) 8.235 4.579 ( 4.680 1.735 0.988) 5.088 4.680 ( -3.298 -0.168 -4.052) 5.227 4.726 ( 3.332 1.583 1.155) 3.866 4.862 ( 3.698 -3.378 0.571) 5.041 4.954 ( -1.232 0.680 -1.587) 2.122 5.151 ( -5.386 -4.537 -2.175) 7.370 5.213 ( -3.577 1.727 -0.194) 3.977 5.268 ( -4.252 0.625 3.147) 5.327 5.333 ( -5.638 -0.140 0.123) 5.641 5.498 ( 0.585 -0.370 -1.893) 2.016 5.580 ( 1.983 -7.221 0.387) 7.498 5.755 ( -2.533 3.527 1.165) 4.496 5.855 ( 2.373 -1.733 0.270) 2.951 6.113 ( -0.670 -2.820 0.089) 2.900 6.290 ( 10.673 -4.306 -1.571) 11.615 6.312 ( 1.810 -3.661 2.279) 4.677 6.455 ( 8.841 5.692 1.868) 10.679 6.564 ( -3.281 0.094 -4.694) 5.727 6.918 ( 4.461 -2.987 4.663) 7.111 7.127 ( 2.490 0.256 -2.294) 3.396 7.172 ( 22.292 9.174 -3.803) 24.404 7.458 ( 4.034 3.805 1.638) 5.782 7.549 ( 1.587 0.269 -2.368) 2.863 8.038 ( 5.662 0.837 1.254) 5.859 8.095 ( -2.168 0.533 2.336) 3.231 8.154 ( 10.078 5.358 -3.201) 11.855 8.306 ( 2.436 1.298 -3.915) 4.790 8.560 ( -9.398 2.691 6.785) 11.900 8.789 ( -4.490 4.427 -2.535) 6.796 9.135 ( -2.823 2.908 3.803) 5.558 9.228 ( -0.943 -0.286 -1.273) 1.610 9.507 ( -7.942 0.574 4.374) 9.085 9.652 ( -0.918 2.436 8.423) 8.816 9.754 ( -0.006 6.758 -5.056) 8.440 9.862 ( 5.349 0.227 -5.857) 7.935 10.373 ( 0.314 -0.231 -0.260) 0.468 10.584 ( 6.299 -1.746 0.036) 6.537 10.727 ( -1.613 -1.356 -1.667) 2.687 10.819 ( -1.289 -0.010 -1.225) 1.778 10.982 ( -1.573 -0.815 -0.150) 1.778 11.189 ( 0.073 -2.757 5.494) 6.148 11.383 ( 5.229 1.470 1.392) 5.607 11.447 ( 6.443 4.038 -1.406) 7.733 11.620 ( 3.574 3.679 -1.551) 5.359 11.771 ( 0.983 2.789 -0.390) 2.983 12.373 ( 0.449 7.482 -0.383) 7.506 12.382 ( -0.742 2.297 -1.355) 2.769 12.589 ( 1.855 1.544 2.352) 3.370 12.666 ( 3.996 -0.213 -1.121) 4.156 13.211 ( -0.404 -1.773 1.706) 2.493 13.247 ( -1.299 -1.764 -1.553) 2.685 13.864 ( -3.567 7.990 1.351) 8.854 13.958 ( -2.695 5.353 -1.917) 6.292 15.841 ( 1.011 -0.525 2.866) 3.084 16.070 ( 4.144 5.207 -2.304) 7.042 17.417 ( -10.151 -3.640 -1.336) 10.867 17.681 ( -0.174 -6.322 1.264) 6.449 17.766 ( 4.493 -7.283 0.635) 8.580 18.284 ( 16.686 8.153 1.020) 18.599 18.719 ( -7.272 15.227 -0.801) 16.894 19.058 ( 3.126 5.562 3.018) 7.058 19.173 ( 1.164 10.789 -6.521) 12.660 19.381 ( 6.254 6.374 2.840) 9.370 20.055 ( -7.610 12.937 0.132) 15.010 20.247 ( -9.366 -2.701 -1.286) 9.832 21.082 ( 5.714 -3.581 -0.009) 6.744 21.420 ( 9.548 -12.561 1.570) 15.856 21.989 ( -1.710 -4.971 -1.201) 5.392 22.123 ( 2.863 -3.565 1.534) 4.823 22.330 ( -1.209 -0.646 1.935) 2.372 22.478 ( 3.246 -1.673 -5.759) 6.819 22.901 ( -5.403 -0.230 7.960) 9.623 23.032 ( -2.424 -1.083 -5.037) 5.693 23.328 ( -7.574 -3.953 2.399) 8.875 23.404 ( -6.107 -3.000 -2.683) 7.313 ======================= Grid point 129 (41/102) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 4.195 -13.471 1.449) 14.183 1.510 ( 4.168 -8.790 3.504) 10.340 1.743 ( 3.402 -10.253 1.862) 10.962 1.911 ( 9.652 -2.679 -4.029) 10.796 2.172 ( 9.040 -8.492 -1.831) 12.537 2.320 ( -0.768 -4.161 -1.577) 4.516 2.448 ( 4.446 2.235 -2.375) 5.514 2.561 ( 7.626 -8.624 -0.742) 11.536 2.582 ( 2.886 -6.502 4.532) 8.434 2.676 ( -1.532 0.622 0.673) 1.785 2.889 ( 1.439 0.803 0.833) 1.846 2.985 ( -4.173 1.894 1.322) 4.770 3.035 ( -2.591 -3.092 -5.623) 6.921 3.125 ( 4.100 -0.929 1.174) 4.364 3.257 ( -1.498 0.171 1.258) 1.963 3.309 ( -3.221 1.284 -0.011) 3.467 3.361 ( -3.327 -2.164 0.348) 3.984 3.408 ( -0.735 -0.949 -1.207) 1.703 3.496 ( 2.310 -0.812 0.320) 2.469 3.600 ( -3.085 3.472 0.830) 4.718 3.750 ( 0.124 0.745 -2.204) 2.330 3.786 ( -0.664 1.338 0.363) 1.538 3.918 ( -3.714 -3.584 -3.058) 5.999 3.990 ( -2.898 3.686 2.709) 5.415 4.175 ( 2.672 0.511 -0.221) 2.729 4.217 ( 0.720 3.842 3.111) 4.996 4.261 ( -1.193 -1.678 2.856) 3.521 4.540 ( 0.546 4.243 -0.878) 4.367 4.686 ( -2.988 -3.724 -5.007) 6.919 4.747 ( 5.854 0.846 1.192) 6.033 4.925 ( 2.355 0.359 -2.704) 3.604 4.950 ( -3.351 -3.056 2.339) 5.103 5.122 ( -7.502 1.292 2.896) 8.145 5.154 ( -5.333 0.006 -0.763) 5.387 5.257 ( -0.653 -0.340 0.287) 0.790 5.365 ( 1.326 -4.409 -1.119) 4.739 5.527 ( 1.680 -2.056 -3.040) 4.036 5.657 ( -4.228 3.373 2.019) 5.773 5.712 ( 2.733 -3.858 0.378) 4.743 5.892 ( 0.483 -0.457 1.165) 1.342 6.109 ( -5.674 1.249 0.751) 5.858 6.347 ( 2.824 0.039 0.665) 2.902 6.412 ( 6.678 -1.247 -1.285) 6.914 6.502 ( 5.308 -3.890 2.333) 6.982 6.616 ( 9.359 -4.547 -3.268) 10.906 7.000 ( 1.156 -1.125 4.751) 5.017 7.071 ( 5.915 5.529 -0.672) 8.125 7.219 ( 9.506 0.950 -8.238) 12.614 7.419 ( 4.077 3.712 4.220) 6.944 7.535 ( 2.179 2.370 -1.160) 3.422 8.002 ( -3.887 0.566 1.326) 4.146 8.101 ( 10.933 2.736 -0.491) 11.281 8.165 ( 7.211 3.306 -0.633) 7.958 8.294 ( 1.496 0.157 -3.578) 3.881 8.455 ( -8.984 2.623 6.126) 11.186 8.715 ( -2.236 0.201 -4.784) 5.284 9.025 ( -8.141 5.964 5.200) 11.353 9.201 ( -2.191 0.808 -2.038) 3.100 9.378 ( -9.004 5.868 0.765) 10.775 9.621 ( 2.300 3.045 6.390) 7.442 9.676 ( -3.289 -0.332 -0.365) 3.326 9.874 ( 4.744 1.244 -6.673) 8.281 10.388 ( -0.827 -0.867 1.195) 1.692 10.677 ( 2.472 -2.622 1.395) 3.864 10.762 ( 0.112 -4.225 -3.530) 5.507 10.853 ( 3.683 -3.168 -0.058) 4.859 11.011 ( -0.986 -2.903 -0.005) 3.065 11.244 ( 1.619 -1.520 4.224) 4.772 11.387 ( 8.609 4.908 -0.757) 9.939 11.417 ( 3.714 2.598 -1.248) 4.701 11.532 ( -0.985 5.417 -0.270) 5.513 11.709 ( -2.449 3.184 -0.318) 4.030 12.249 ( 0.218 5.776 -1.018) 5.870 12.339 ( 0.480 2.520 0.453) 2.605 12.602 ( 1.116 -1.054 1.519) 2.160 12.688 ( 2.001 0.056 -0.957) 2.219 13.262 ( 1.205 -3.007 0.665) 3.307 13.287 ( -0.502 -3.781 -0.778) 3.892 13.686 ( -4.533 8.073 0.152) 9.260 13.839 ( -2.017 5.459 -0.294) 5.827 15.858 ( 0.161 -0.316 2.206) 2.235 16.006 ( 1.455 3.556 -2.083) 4.370 17.405 ( -5.276 -1.925 -0.746) 5.666 17.794 ( -0.704 -5.681 1.863) 6.020 17.920 ( 1.767 -6.799 -0.610) 7.052 18.238 ( 13.397 9.369 -2.009) 16.471 18.443 ( -6.996 8.305 2.674) 11.183 18.994 ( 6.397 8.741 -2.974) 11.233 19.035 ( -1.112 1.181 1.049) 1.932 19.329 ( 3.679 4.137 1.123) 5.649 19.800 ( -6.657 8.948 -0.286) 11.157 20.214 ( -4.994 -0.045 -0.267) 5.001 21.169 ( 3.429 -2.197 0.028) 4.073 21.674 ( 7.279 -8.637 0.400) 11.302 22.068 ( -2.378 -5.318 0.436) 5.841 22.124 ( -1.223 3.106 -0.085) 3.340 22.359 ( 0.434 -0.905 4.199) 4.317 22.526 ( 4.463 -2.141 -9.288) 10.525 22.889 ( -4.404 -0.837 8.709) 9.795 23.021 ( -2.267 -0.597 -3.683) 4.366 23.339 ( -4.690 -2.014 1.685) 5.375 23.387 ( -4.648 -0.494 -2.178) 5.157 ======================= Grid point 130 (42/102) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -2.160 -4.407 7.210) 8.722 1.691 ( 1.421 -9.439 -0.552) 9.561 1.888 ( 3.350 -1.342 -6.225) 7.195 2.071 ( 9.983 -7.693 -1.031) 12.645 2.229 ( -0.345 7.948 -0.066) 7.956 2.348 ( 1.241 -1.986 -2.359) 3.324 2.418 ( 2.610 3.260 1.524) 4.445 2.594 ( -1.272 0.881 -1.863) 2.422 2.691 ( -3.293 -2.484 3.064) 5.139 2.796 ( -0.455 -8.577 2.670) 8.995 2.872 ( 5.324 1.629 1.892) 5.881 2.961 ( 1.356 -1.693 -1.463) 2.616 3.046 ( -6.612 -1.683 -2.887) 7.408 3.158 ( 3.574 3.422 -1.007) 5.050 3.191 ( -1.454 1.195 -2.423) 3.069 3.270 ( -3.036 1.977 4.332) 5.648 3.330 ( -0.820 2.564 0.713) 2.785 3.453 ( -2.790 -2.287 2.482) 4.379 3.510 ( 1.785 -1.665 -1.960) 3.131 3.591 ( 2.563 -2.319 -1.790) 3.892 3.734 ( -0.801 3.982 0.415) 4.083 3.767 ( -0.282 -1.316 -2.564) 2.896 3.908 ( 1.125 2.568 1.975) 3.430 3.976 ( -1.255 -3.986 -0.722) 4.240 4.164 ( -4.330 -0.417 1.600) 4.635 4.210 ( 4.977 1.443 -2.087) 5.587 4.301 ( 2.367 -1.581 1.073) 3.042 4.465 ( -4.605 1.533 1.051) 4.966 4.700 ( -2.762 0.361 -0.455) 2.822 4.775 ( 5.814 1.164 -1.235) 6.057 4.908 ( 0.823 1.582 -0.334) 1.814 4.990 ( -2.757 -3.236 -2.389) 4.876 5.069 ( -1.967 0.574 3.643) 4.180 5.136 ( -3.377 -1.864 2.614) 4.660 5.254 ( 0.100 0.503 -2.132) 2.193 5.461 ( 1.998 -2.823 0.334) 3.475 5.557 ( -1.160 1.420 0.602) 1.929 5.566 ( -0.099 0.527 -2.812) 2.862 5.800 ( 3.906 -3.019 0.231) 4.942 5.867 ( -3.909 2.042 1.719) 4.733 6.041 ( -2.274 1.751 0.300) 2.886 6.363 ( 1.336 0.176 0.400) 1.406 6.506 ( 6.741 -2.636 0.028) 7.238 6.567 ( -1.237 -2.062 -0.203) 2.413 6.815 ( 9.222 -8.038 -3.333) 12.679 6.922 ( -1.977 7.520 4.161) 8.819 7.093 ( 0.179 -2.288 0.402) 2.330 7.190 ( 0.232 4.054 -3.986) 5.690 7.429 ( 2.852 -1.016 1.482) 3.371 7.493 ( 1.320 3.302 -0.782) 3.641 8.008 ( -4.029 -3.045 1.651) 5.313 8.129 ( 10.380 4.150 -1.106) 11.233 8.145 ( 5.014 1.149 -2.186) 5.589 8.296 ( 0.731 0.304 0.687) 1.049 8.390 ( -8.292 -0.834 3.044) 8.872 8.721 ( 1.421 -1.165 -3.085) 3.591 8.844 ( -7.135 5.138 1.200) 8.873 9.185 ( 1.215 0.003 -1.207) 1.713 9.232 ( -5.357 3.808 1.067) 6.659 9.610 ( 3.637 1.764 3.830) 5.568 9.680 ( -5.313 -2.483 3.677) 6.922 9.861 ( 2.400 1.398 -6.648) 7.205 10.397 ( -0.133 -0.435 0.674) 0.813 10.715 ( -1.245 -1.537 0.370) 2.012 10.838 ( 1.861 -2.806 -0.332) 3.383 10.952 ( 3.484 -3.510 -0.820) 5.013 11.038 ( -1.081 0.123 -0.937) 1.435 11.279 ( -0.405 0.401 4.127) 4.166 11.338 ( 7.847 4.225 -4.004) 9.770 11.390 ( -1.542 1.034 -0.629) 1.961 11.468 ( -1.989 0.588 1.691) 2.676 11.644 ( -0.601 1.788 0.018) 1.886 12.173 ( 0.095 2.276 -1.479) 2.716 12.308 ( -0.271 1.196 1.908) 2.269 12.636 ( 1.071 -1.284 -0.067) 1.674 12.691 ( 0.273 0.379 -0.216) 0.515 13.336 ( 1.787 -3.395 0.053) 3.837 13.352 ( 0.081 -2.874 -0.413) 2.904 13.526 ( -3.242 5.647 0.001) 6.512 13.745 ( -0.672 3.033 0.198) 3.112 15.871 ( -0.576 -0.984 1.811) 2.140 15.958 ( 0.709 2.195 -1.788) 2.918 17.403 ( -1.544 -0.669 -0.251) 1.701 17.877 ( -0.384 -3.579 3.243) 4.845 18.018 ( -2.262 -4.554 -1.534) 5.311 18.122 ( 5.936 9.443 -5.521) 12.446 18.366 ( -1.396 -0.720 5.252) 5.482 18.889 ( 2.780 4.997 -3.909) 6.926 19.046 ( 0.350 -1.187 3.274) 3.500 19.292 ( 1.084 1.899 -0.304) 2.207 19.652 ( -2.829 3.152 -0.364) 4.251 20.185 ( -1.630 0.184 0.145) 1.646 21.211 ( 1.165 -0.560 0.169) 1.304 21.842 ( 4.146 -4.639 -0.392) 6.234 22.039 ( -1.914 3.364 -0.549) 3.909 22.139 ( -1.944 -3.684 1.135) 4.318 22.365 ( 0.270 1.115 2.912) 3.130 22.557 ( 2.880 0.306 -6.730) 7.327 22.915 ( -1.440 -2.887 4.646) 5.656 22.998 ( -1.868 1.145 -0.055) 2.191 23.343 ( -0.530 -0.348 0.388) 0.743 23.357 ( -2.521 -0.089 -1.546) 2.959 ======================= Grid point 132 (43/102) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -4.224 0.312 5.434) 6.890 1.768 ( -1.525 4.305 0.797) 4.636 1.834 ( 1.120 3.249 -10.071) 10.641 2.022 ( -6.586 9.519 2.375) 11.817 2.249 ( 5.577 -2.986 0.846) 6.382 2.281 ( -3.791 7.194 -0.408) 8.142 2.419 ( -3.245 -4.375 1.024) 5.542 2.611 ( 3.947 -1.378 -1.404) 4.411 2.720 ( -0.282 -0.843 -0.030) 0.889 2.817 ( -1.214 10.141 1.149) 10.278 2.856 ( -4.648 -2.296 3.870) 6.469 2.977 ( 1.052 3.518 -0.922) 3.785 3.016 ( -0.231 -0.987 -2.508) 2.705 3.142 ( 1.730 -1.860 1.038) 2.744 3.176 ( -1.471 -3.518 -2.019) 4.314 3.290 ( 1.672 -1.704 1.121) 2.637 3.333 ( -1.064 -2.780 1.320) 3.256 3.433 ( -0.848 1.942 1.828) 2.798 3.575 ( 0.026 2.110 -2.179) 3.033 3.590 ( 4.659 2.051 -3.312) 6.073 3.684 ( 1.094 -0.424 1.057) 1.579 3.754 ( -2.903 -1.526 1.160) 3.479 3.955 ( 7.094 -0.614 -1.638) 7.307 3.970 ( -2.923 2.566 0.193) 3.894 4.158 ( -3.620 -0.748 2.141) 4.271 4.207 ( 0.398 -1.621 -2.743) 3.211 4.358 ( 3.772 -1.270 -3.401) 5.235 4.439 ( -3.596 -1.953 4.280) 5.921 4.641 ( -0.604 3.815 2.312) 4.502 4.782 ( 2.779 1.104 -1.504) 3.347 4.892 ( 0.050 0.744 0.475) 0.884 4.990 ( -2.850 -0.190 -0.780) 2.961 5.098 ( 3.456 -1.615 -0.135) 3.818 5.180 ( 1.508 -2.174 3.872) 4.689 5.229 ( 0.008 1.294 -3.677) 3.898 5.418 ( -4.026 2.964 2.248) 5.482 5.544 ( 3.308 3.202 -0.905) 4.692 5.614 ( 3.830 -3.668 -2.867) 6.029 5.791 ( -4.593 2.397 1.109) 5.298 5.889 ( 3.635 -3.247 0.151) 4.876 6.011 ( -0.223 1.177 1.958) 2.296 6.357 ( -0.097 1.237 0.577) 1.368 6.551 ( -5.622 0.606 -0.739) 5.703 6.567 ( -0.566 -0.046 -1.752) 1.842 6.764 ( -5.375 6.272 0.499) 8.276 6.962 ( -1.819 -4.008 1.316) 4.594 7.107 ( -1.574 0.078 0.445) 1.637 7.146 ( 1.330 -0.825 -2.449) 2.906 7.449 ( -2.591 0.208 0.162) 2.604 7.481 ( -0.750 -3.113 -0.104) 3.204 8.024 ( -5.056 -2.479 1.246) 5.767 8.112 ( 3.599 3.027 -1.608) 4.970 8.175 ( 1.071 -1.860 -3.629) 4.216 8.301 ( -7.984 0.629 0.909) 8.060 8.384 ( 4.998 -3.841 3.744) 7.331 8.633 ( -5.280 2.834 1.425) 6.159 8.936 ( 11.878 -7.026 -3.779) 14.309 9.158 ( -0.407 1.406 -0.019) 1.463 9.222 ( 3.868 -1.192 1.995) 4.513 9.630 ( 3.437 -0.462 1.401) 3.740 9.688 ( -6.337 -1.796 6.332) 9.137 9.841 ( 0.187 -0.294 -7.332) 7.340 10.402 ( 0.954 0.589 0.371) 1.181 10.723 ( -1.033 -0.277 0.106) 1.075 10.853 ( -0.608 2.388 -1.698) 2.992 10.970 ( -0.443 5.314 -1.782) 5.622 11.001 ( 0.689 -0.268 1.379) 1.565 11.248 ( -5.031 0.272 3.700) 6.251 11.355 ( 0.919 -1.515 -2.710) 3.239 11.383 ( -1.634 -1.807 0.115) 2.439 11.483 ( 0.886 -2.502 0.458) 2.694 11.646 ( 0.371 -1.934 -0.118) 1.973 12.169 ( 0.270 -2.059 -1.217) 2.407 12.302 ( -1.206 -0.646 2.179) 2.573 12.656 ( 0.562 -0.420 -1.572) 1.721 12.678 ( -1.195 0.654 0.895) 1.630 13.322 ( -0.631 4.120 0.383) 4.185 13.375 ( -1.977 1.527 -1.334) 2.832 13.512 ( 2.750 -4.967 0.919) 5.751 13.750 ( 2.136 -2.865 -0.049) 3.574 15.897 ( -1.452 -2.304 1.967) 3.359 15.932 ( 1.099 0.963 -1.964) 2.448 17.402 ( 1.496 0.720 -0.196) 1.672 17.925 ( 2.075 0.670 3.579) 4.191 17.988 ( 5.205 8.241 -3.233) 10.269 18.079 ( -11.257 -8.515 -1.916) 14.244 18.401 ( 1.856 -1.738 2.582) 3.624 18.855 ( -1.430 -1.534 -1.442) 2.545 19.082 ( -1.259 -2.287 0.661) 2.693 19.284 ( -1.115 -1.372 0.090) 1.770 19.650 ( 2.558 -3.114 -0.248) 4.038 20.188 ( 1.755 -0.354 -0.001) 1.790 21.207 ( -1.194 0.995 0.368) 1.597 21.832 ( -3.719 5.014 0.147) 6.245 22.053 ( 2.797 -3.920 -1.374) 5.007 22.160 ( -0.290 0.923 -0.120) 0.975 22.352 ( -1.053 0.568 4.123) 4.293 22.530 ( 1.066 2.388 -5.280) 5.892 22.945 ( -1.748 2.603 4.173) 5.219 22.985 ( 2.108 -2.727 -0.895) 3.561 23.333 ( 0.568 1.001 0.416) 1.224 23.367 ( 3.283 -0.387 -1.488) 3.625 ======================= Grid point 133 (44/102) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -3.894 13.111 -1.580) 13.768 1.514 ( -7.979 14.974 2.080) 17.094 1.766 ( -10.112 11.303 1.014) 15.200 1.875 ( 0.193 -3.884 -0.662) 3.945 2.144 ( -5.918 6.254 -1.553) 8.750 2.256 ( 0.242 2.844 1.299) 3.136 2.443 ( -5.427 -1.163 -2.985) 6.302 2.526 ( -8.320 12.781 3.333) 15.610 2.657 ( -3.139 2.038 3.543) 5.154 2.712 ( 2.457 0.702 -5.303) 5.886 2.883 ( -4.254 2.135 1.574) 5.013 2.927 ( 3.574 1.897 1.906) 4.473 3.021 ( 4.315 0.467 -1.758) 4.682 3.185 ( 0.859 -2.770 -3.008) 4.179 3.249 ( -1.847 -1.489 1.163) 2.643 3.318 ( 1.681 0.054 -0.076) 1.683 3.383 ( 2.175 0.789 -0.524) 2.372 3.405 ( 1.269 -2.471 0.765) 2.881 3.467 ( -1.319 3.659 0.000) 3.890 3.610 ( 1.282 -0.595 -0.568) 1.523 3.735 ( 4.015 -1.895 -1.091) 4.572 3.801 ( 0.515 -3.637 0.084) 3.674 3.881 ( 2.201 4.945 0.483) 5.434 3.985 ( 2.275 1.417 1.525) 3.083 4.164 ( -2.373 -2.615 1.425) 3.808 4.238 ( -5.081 -2.285 0.221) 5.576 4.354 ( 4.525 2.745 -1.086) 5.402 4.519 ( 0.701 -6.054 0.375) 6.106 4.604 ( 0.381 -0.043 0.200) 0.432 4.771 ( -1.160 0.271 -1.607) 2.000 4.878 ( -0.025 1.227 0.778) 1.454 4.967 ( -1.989 0.812 1.046) 2.389 5.144 ( 5.652 1.817 1.015) 6.023 5.189 ( 1.965 0.233 -3.436) 3.965 5.249 ( 4.142 -0.771 2.411) 4.854 5.366 ( -0.586 0.698 -1.851) 2.063 5.506 ( 3.431 2.827 -1.485) 4.687 5.682 ( 2.117 -0.546 0.158) 2.192 5.713 ( -3.781 2.178 0.405) 4.382 5.924 ( -0.940 1.972 -1.694) 2.764 6.031 ( 3.140 -1.981 5.883) 6.956 6.319 ( -1.766 2.458 0.924) 3.164 6.456 ( -8.708 2.029 -2.470) 9.276 6.519 ( -9.064 0.913 2.983) 9.586 6.614 ( -2.245 5.927 -4.458) 7.748 7.026 ( -9.112 -6.622 4.841) 12.260 7.079 ( -4.342 -0.674 0.287) 4.403 7.144 ( -0.082 2.050 -5.625) 5.988 7.473 ( -5.625 -5.910 -0.127) 8.160 7.516 ( -2.157 -1.936 -0.056) 2.899 8.053 ( -4.588 -5.034 -0.401) 6.823 8.078 ( -0.566 0.856 -0.813) 1.309 8.174 ( -5.443 0.930 -0.107) 5.523 8.253 ( -2.610 -1.252 -1.479) 3.251 8.528 ( 5.806 -5.028 4.493) 8.898 8.629 ( 3.516 -2.493 -2.295) 4.883 9.098 ( 3.255 -3.104 3.482) 5.688 9.176 ( 5.504 -1.175 -3.877) 6.834 9.320 ( 7.187 -5.140 3.832) 9.631 9.660 ( -1.584 0.446 1.868) 2.489 9.696 ( -1.796 -3.307 3.959) 5.462 9.860 ( 0.425 -3.601 -8.444) 9.190 10.384 ( 0.393 2.282 1.359) 2.685 10.704 ( -2.469 2.257 1.763) 3.781 10.749 ( -0.805 5.385 -4.425) 7.016 10.874 ( 0.131 3.984 -2.034) 4.475 10.993 ( 0.863 1.837 1.462) 2.501 11.223 ( -9.102 -2.486 5.287) 10.816 11.386 ( -1.733 -2.005 -1.168) 2.897 11.409 ( -3.374 -3.190 -0.085) 4.644 11.547 ( -0.826 -3.941 -1.071) 4.167 11.707 ( 2.215 -3.021 -0.190) 3.751 12.244 ( 0.843 -5.948 -0.799) 6.060 12.322 ( -1.763 -2.276 1.453) 3.225 12.648 ( -0.940 0.867 0.161) 1.288 12.661 ( -2.092 -0.201 -0.686) 2.211 13.247 ( -0.286 3.383 0.811) 3.490 13.308 ( -0.479 3.485 -1.295) 3.749 13.665 ( 3.352 -8.230 1.240) 8.973 13.849 ( 3.514 -5.158 -0.776) 6.289 15.925 ( -1.070 -0.657 1.069) 1.649 15.941 ( -0.775 -2.719 -1.013) 3.003 17.399 ( 4.830 2.164 -0.381) 5.306 17.865 ( 1.186 7.392 -3.644) 8.327 17.879 ( 0.679 6.116 3.145) 6.910 18.173 ( -13.962 -11.860 1.891) 18.417 18.505 ( 5.888 -7.398 -0.950) 9.503 18.909 ( -3.717 -6.322 1.597) 7.505 19.106 ( -3.455 -2.819 -2.889) 5.313 19.331 ( -2.356 -5.036 1.066) 5.661 19.794 ( 6.169 -8.998 0.026) 10.910 20.216 ( 5.374 0.405 -0.418) 5.405 21.160 ( -3.496 2.337 0.481) 4.233 21.676 ( -7.041 7.627 0.330) 10.386 22.098 ( 1.551 5.476 -2.001) 6.033 22.133 ( 0.947 -1.862 -0.074) 2.090 22.342 ( -2.492 0.406 6.437) 6.915 22.484 ( 1.411 1.922 -7.422) 7.795 22.893 ( -0.046 3.116 6.989) 7.653 23.045 ( 3.337 -1.912 -4.271) 5.748 23.321 ( 2.862 2.238 2.046) 4.170 23.402 ( 6.965 0.403 -2.245) 7.329 ======================= Grid point 134 (45/102) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -6.579 17.125 -2.220) 18.479 1.203 ( -9.271 11.685 1.379) 14.979 1.444 ( -8.075 16.098 -0.026) 18.010 1.915 ( -11.149 6.240 -9.201) 15.745 1.952 ( -6.388 2.340 10.886) 12.837 2.148 ( -3.625 10.362 -1.868) 11.135 2.169 ( -6.090 14.095 4.734) 16.068 2.436 ( -13.643 9.562 5.764) 17.629 2.546 ( 0.378 -2.995 -3.722) 4.792 2.657 ( 0.493 2.354 -5.782) 6.262 2.813 ( 0.630 4.644 -6.017) 7.627 2.889 ( -1.191 3.831 3.371) 5.239 3.054 ( 1.270 -0.253 -0.186) 1.308 3.141 ( -6.256 5.651 3.268) 9.042 3.270 ( 6.403 -2.991 -4.043) 8.141 3.324 ( 2.575 3.645 1.786) 4.807 3.380 ( 2.167 -2.227 1.371) 3.396 3.438 ( -1.892 -0.178 3.115) 3.649 3.526 ( 2.390 -5.253 -3.529) 6.765 3.640 ( 0.902 -3.073 -3.738) 4.923 3.783 ( 2.296 -0.708 -0.051) 2.404 3.837 ( 5.960 3.578 1.635) 7.141 3.884 ( 4.254 -3.724 -2.509) 6.185 4.000 ( 2.359 -1.928 2.071) 3.685 4.153 ( -2.014 2.997 3.566) 5.075 4.277 ( 0.309 -4.596 2.407) 5.197 4.366 ( 1.179 -2.098 0.075) 2.408 4.611 ( -1.473 -3.791 1.351) 4.285 4.641 ( -2.762 -4.362 -3.250) 6.101 4.767 ( -1.899 -2.088 -1.395) 3.148 4.836 ( -0.693 3.203 1.694) 3.689 4.944 ( -1.236 -0.182 -1.918) 2.290 5.120 ( 5.189 4.864 1.630) 7.297 5.220 ( 4.952 -0.893 -0.995) 5.129 5.309 ( 7.208 -1.430 -0.607) 7.374 5.380 ( 3.098 -0.594 -1.722) 3.594 5.479 ( 0.529 2.655 -1.269) 2.990 5.602 ( -1.588 3.467 -1.383) 4.057 5.740 ( 0.461 -1.562 3.369) 3.742 5.838 ( -2.723 4.536 0.579) 5.322 6.089 ( 0.621 -0.836 1.739) 2.027 6.233 ( -6.530 4.215 1.322) 7.883 6.346 ( -8.522 2.172 0.699) 8.822 6.461 ( -4.177 0.165 1.704) 4.515 6.545 ( -1.133 -0.924 -3.967) 4.228 7.010 ( -7.426 -0.460 5.463) 9.230 7.053 ( -2.354 3.387 -5.437) 6.825 7.149 ( -11.019 -8.586 -1.000) 14.005 7.519 ( -3.630 -0.807 0.100) 3.720 7.542 ( -4.323 -5.679 -4.059) 8.211 8.065 ( -8.532 -1.111 0.689) 8.632 8.097 ( -3.914 -1.140 -0.170) 4.080 8.154 ( 3.355 -3.860 -0.635) 5.153 8.240 ( -4.034 -0.023 -1.026) 4.162 8.672 ( 2.981 -6.602 4.784) 8.681 8.724 ( 7.543 -3.423 -3.751) 9.093 9.150 ( 0.278 -0.716 3.946) 4.020 9.209 ( 3.173 1.019 -1.013) 3.483 9.495 ( 3.373 -6.912 4.772) 9.051 9.639 ( -3.966 -1.227 5.202) 6.656 9.759 ( -1.050 -3.530 -1.916) 4.151 9.922 ( 1.475 -3.512 -8.613) 9.418 10.350 ( 0.888 0.954 1.007) 1.648 10.588 ( -5.755 3.337 -0.185) 6.656 10.713 ( 2.497 1.037 -0.881) 2.843 10.822 ( 0.731 2.011 -1.236) 2.471 10.982 ( 2.608 0.167 -0.220) 2.622 11.216 ( -5.898 -1.305 4.322) 7.428 11.385 ( -5.753 -1.475 1.012) 6.025 11.442 ( -3.721 -2.959 -0.996) 4.858 11.598 ( -3.090 -3.295 -0.634) 4.562 11.757 ( -0.129 -1.481 0.312) 1.519 12.358 ( -2.022 -3.183 -0.039) 3.771 12.385 ( 3.161 -7.567 -0.804) 8.240 12.626 ( -4.432 -0.346 2.289) 5.000 12.644 ( -2.303 -0.168 -2.043) 3.083 13.207 ( 0.515 1.394 1.516) 2.123 13.255 ( 1.152 2.250 -1.579) 2.980 13.843 ( 2.505 -8.254 1.999) 8.855 13.967 ( 4.091 -4.951 -1.951) 6.712 15.932 ( 0.225 -0.676 -1.840) 1.973 15.983 ( -5.686 -4.472 2.148) 7.546 17.390 ( 7.699 4.384 0.229) 8.863 17.732 ( 0.635 6.669 -2.269) 7.073 17.758 ( -1.754 6.745 1.608) 7.152 18.282 ( -17.548 -12.036 1.195) 21.312 18.739 ( 8.281 -11.867 -2.029) 14.612 19.039 ( -1.952 -10.074 4.424) 11.174 19.135 ( -5.767 -5.785 -3.942) 9.070 19.425 ( -3.999 -7.627 -0.227) 8.615 20.047 ( 7.331 -12.884 0.545) 14.834 20.238 ( 10.239 3.909 -0.729) 10.984 21.075 ( -5.759 3.332 0.374) 6.664 21.451 ( -10.599 10.388 -0.071) 14.841 21.983 ( 2.323 8.001 -1.175) 8.414 22.111 ( -3.468 3.648 2.603) 5.667 22.348 ( 0.136 -1.172 1.962) 2.289 22.447 ( 0.539 1.714 -5.056) 5.366 22.873 ( 2.296 1.688 6.773) 7.349 23.080 ( 3.262 -0.347 -5.407) 6.324 23.298 ( 4.572 4.135 3.065) 6.885 23.438 ( 9.731 2.126 -3.272) 10.484 ======================= Grid point 135 (46/102) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -10.654 15.182 3.512) 18.877 1.005 ( -4.823 3.943 -6.815) 9.233 1.078 ( -7.380 17.805 2.698) 19.461 1.622 ( -9.850 11.764 -11.609) 19.240 1.696 ( -14.248 17.692 3.387) 22.967 1.752 ( -12.751 25.009 5.335) 28.574 2.003 ( 0.080 7.298 7.370) 10.372 2.254 ( -10.996 -0.613 4.826) 12.024 2.595 ( 1.391 -1.220 -5.724) 6.016 2.676 ( -2.362 5.891 -5.464) 8.374 2.721 ( 3.015 -3.608 -6.107) 7.708 2.777 ( -3.049 3.599 3.167) 5.681 3.005 ( -1.689 3.426 3.345) 5.077 3.060 ( -4.144 1.294 1.159) 4.494 3.285 ( 4.087 1.384 -0.160) 4.318 3.355 ( 6.467 -0.577 -1.628) 6.694 3.416 ( -0.390 -0.233 0.299) 0.544 3.447 ( -4.483 -1.845 2.747) 5.572 3.579 ( -0.760 -0.407 1.516) 1.744 3.716 ( 3.711 -3.302 -7.961) 9.384 3.793 ( 0.991 0.637 1.639) 2.018 3.850 ( 4.992 -0.328 0.336) 5.014 3.967 ( 4.359 -1.083 -1.593) 4.766 4.086 ( 8.547 1.771 -0.919) 8.776 4.114 ( -1.551 -3.278 3.204) 4.839 4.328 ( 1.241 -0.039 1.078) 1.645 4.469 ( -5.800 -10.700 1.246) 12.235 4.672 ( 1.770 -3.201 2.414) 4.383 4.696 ( -5.242 -5.918 -1.599) 8.065 4.765 ( -4.610 -0.656 2.948) 5.511 4.827 ( 2.003 -1.248 0.244) 2.373 4.951 ( 1.522 -1.326 -7.257) 7.532 5.070 ( 4.515 4.034 0.128) 6.056 5.268 ( 2.461 3.039 -0.619) 3.959 5.343 ( 0.101 1.306 3.602) 3.833 5.397 ( 7.063 -0.936 0.006) 7.125 5.475 ( 5.603 -1.775 -2.936) 6.570 5.584 ( 2.918 -0.395 -4.539) 5.411 5.698 ( -2.049 5.859 5.499) 8.293 5.817 ( -2.937 -3.844 0.020) 4.838 6.039 ( -6.638 4.006 -1.810) 7.962 6.126 ( -5.147 2.012 0.463) 5.546 6.281 ( -5.111 -0.024 3.211) 6.036 6.419 ( -6.963 0.531 -0.156) 6.985 6.604 ( 3.659 -4.316 -0.759) 5.709 6.969 ( -3.156 1.743 -4.035) 5.411 6.987 ( -3.095 0.400 3.670) 4.817 7.186 ( -12.533 -4.951 0.084) 13.476 7.483 ( -3.730 1.906 -0.751) 4.255 7.576 ( -5.671 -2.914 -8.758) 10.833 7.980 ( -8.897 1.944 3.560) 9.778 8.076 ( -1.865 2.245 -7.484) 8.033 8.249 ( -0.360 -5.547 3.804) 6.736 8.278 ( -0.556 -6.705 0.778) 6.773 8.811 ( -0.241 -5.021 6.812) 8.466 8.851 ( 10.046 -4.947 -5.756) 12.590 9.129 ( -0.416 4.017 4.465) 6.021 9.189 ( -0.939 1.328 -0.450) 1.688 9.549 ( -2.024 1.095 4.493) 5.048 9.711 ( -2.269 -2.533 -0.593) 3.452 9.826 ( -8.413 -12.533 5.743) 16.150 9.948 ( -1.287 -2.165 -5.467) 6.019 10.410 ( 6.895 -4.499 -3.023) 8.770 10.562 ( -3.866 -4.683 0.279) 6.079 10.727 ( 1.588 -1.136 -0.014) 1.952 10.802 ( -0.538 0.119 -0.248) 0.604 11.026 ( 6.571 -0.652 0.080) 6.604 11.194 ( -0.658 1.529 1.575) 2.291 11.351 ( -5.443 1.687 1.632) 5.928 11.449 ( -5.016 -1.738 -0.037) 5.309 11.599 ( -5.616 -0.544 -1.931) 5.964 11.781 ( -6.144 -4.001 2.165) 7.645 12.394 ( 1.518 -1.531 -0.793) 2.298 12.542 ( 5.450 -4.684 -0.823) 7.233 12.609 ( -9.481 -4.484 0.918) 10.528 12.629 ( -4.252 -1.024 -0.286) 4.383 13.206 ( 0.473 -0.257 1.613) 1.700 13.235 ( 1.637 1.034 -1.110) 2.232 13.990 ( 1.113 -5.683 2.474) 6.297 14.074 ( 4.551 -3.650 -3.387) 6.745 15.945 ( 2.469 -0.614 -5.494) 6.054 16.038 ( -14.133 -9.391 6.756) 18.264 17.344 ( 6.910 7.073 2.717) 10.255 17.619 ( -4.769 5.150 0.959) 7.084 17.673 ( 9.659 3.919 -3.743) 11.075 18.304 ( -24.749 -6.682 -3.999) 25.945 18.999 ( 9.395 -8.578 2.126) 12.898 19.214 ( -3.818 -11.068 -1.400) 11.791 19.292 ( -3.553 -16.346 3.030) 17.000 19.535 ( -5.701 -8.832 -2.688) 10.850 20.203 ( 16.747 10.274 0.723) 19.660 20.349 ( 5.403 -13.250 0.039) 14.309 20.960 ( -7.099 4.021 -0.272) 8.164 21.144 ( -13.821 12.995 -2.177) 19.096 21.859 ( 1.374 6.800 2.911) 7.523 21.999 ( -3.404 5.315 0.930) 6.380 22.374 ( -0.028 -0.810 0.374) 0.893 22.407 ( 0.229 1.919 -2.474) 3.139 22.886 ( 3.994 1.368 5.177) 6.680 23.085 ( 2.495 0.727 -5.095) 5.719 23.250 ( 4.764 5.859 3.014) 8.131 23.443 ( 11.718 5.614 -6.396) 14.482 ======================= Grid point 136 (47/102) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -11.574 8.911 13.703) 20.029 0.693 ( -6.418 18.130 15.371) 24.620 0.945 ( -1.773 1.967 -17.216) 17.419 1.142 ( -18.983 25.120 18.719) 36.630 1.272 ( -16.575 13.059 -13.826) 25.228 1.427 ( 8.094 7.811 -13.637) 17.678 1.923 ( 4.510 4.208 8.078) 10.164 2.245 ( -8.587 -5.755 -2.158) 10.561 2.474 ( -5.991 8.055 0.509) 10.051 2.534 ( -1.046 6.091 -5.384) 8.196 2.766 ( -2.444 -2.332 8.896) 9.515 2.873 ( 2.176 -8.771 -1.023) 9.095 2.965 ( -0.362 2.493 3.018) 3.931 3.067 ( 0.241 -5.746 -3.238) 6.600 3.323 ( 2.070 -1.937 -0.874) 2.966 3.374 ( -2.126 1.105 -0.869) 2.548 3.416 ( 1.254 -1.329 -0.300) 1.852 3.437 ( -2.309 0.173 0.808) 2.452 3.541 ( 2.566 4.865 1.886) 5.815 3.720 ( 0.262 3.192 -7.106) 7.794 3.810 ( -4.734 -3.247 4.543) 7.321 3.904 ( 5.707 -0.769 -5.345) 7.857 3.957 ( 2.986 3.711 2.017) 5.173 4.053 ( 4.232 5.013 -1.978) 6.852 4.210 ( -0.855 -4.052 2.917) 5.066 4.360 ( -1.318 -4.103 -6.045) 7.424 4.637 ( -2.099 -9.344 4.285) 10.491 4.755 ( 3.364 -3.394 -3.097) 5.695 4.764 ( -4.050 -5.769 2.167) 7.374 4.771 ( -5.886 -3.602 4.311) 8.137 4.870 ( -1.235 -0.937 1.363) 2.064 4.957 ( 3.132 1.335 -8.171) 8.852 5.064 ( 5.981 0.691 0.016) 6.020 5.167 ( -3.865 2.728 -1.044) 4.844 5.396 ( 4.921 -0.800 4.590) 6.777 5.441 ( 10.059 2.362 -1.164) 10.398 5.559 ( 3.251 -0.932 -2.066) 3.963 5.584 ( 0.268 1.059 2.827) 3.031 5.637 ( 9.611 1.918 -4.406) 10.745 5.814 ( -27.551 -4.542 -4.741) 28.323 5.954 ( 1.602 -0.327 2.392) 2.897 6.046 ( -4.170 2.835 -0.697) 5.091 6.273 ( -6.822 -2.225 4.003) 8.217 6.336 ( -7.738 1.533 -3.344) 8.568 6.715 ( 3.714 -3.292 2.808) 5.702 6.928 ( 0.587 0.515 -7.668) 7.708 6.962 ( -0.183 2.201 5.752) 6.161 7.141 ( -7.651 0.929 -1.544) 7.860 7.382 ( -4.702 5.947 0.027) 7.581 7.503 ( -10.474 1.018 -9.652) 14.280 7.904 ( -8.067 0.503 5.317) 9.674 8.010 ( 1.743 1.986 -7.301) 7.765 8.381 ( -0.887 -7.164 3.280) 7.929 8.411 ( 3.803 -6.561 0.466) 7.598 8.870 ( -5.918 -0.920 7.935) 9.941 8.951 ( 6.399 0.721 -4.732) 7.991 9.058 ( 4.221 3.973 3.451) 6.746 9.189 ( 0.513 -2.221 -2.260) 3.210 9.514 ( -4.949 0.847 7.258) 8.826 9.666 ( 0.908 2.312 -7.623) 8.017 10.002 ( 0.735 -5.780 2.543) 6.358 10.130 ( -18.221 -26.730 5.793) 32.864 10.569 ( 7.581 -7.419 0.076) 10.608 10.693 ( 0.190 -11.589 -2.022) 11.766 10.781 ( 0.698 -3.327 0.707) 3.472 10.814 ( -0.475 -2.598 -0.516) 2.691 11.075 ( 5.931 1.139 0.651) 6.075 11.165 ( 1.179 2.479 -1.187) 2.991 11.243 ( -2.320 6.500 3.923) 7.938 11.439 ( -3.277 -0.762 -0.514) 3.404 11.544 ( -4.893 1.003 -2.476) 5.575 11.766 ( -28.251 -4.213 -6.705) 29.339 12.468 ( 8.722 -3.686 3.605) 10.132 12.567 ( -0.116 0.171 -0.635) 0.668 12.602 ( -4.053 -0.422 1.715) 4.421 12.706 ( -5.207 -7.373 0.114) 9.027 13.220 ( 0.332 -0.243 0.552) 0.688 13.229 ( 0.494 0.481 -0.015) 0.690 14.069 ( 0.691 -1.949 1.340) 2.464 14.128 ( 3.473 0.899 -4.057) 5.416 15.983 ( 8.662 -1.131 -6.121) 10.667 16.163 ( -34.443 -22.549 6.453) 41.671 17.280 ( 6.316 5.276 5.680) 10.000 17.494 ( -3.102 5.467 -2.582) 6.795 17.722 ( 17.304 2.003 -3.921) 17.855 18.078 ( -29.261 8.603 -9.219) 31.863 19.214 ( 12.985 -7.872 7.843) 17.090 19.433 ( -6.952 -15.592 1.966) 17.185 19.557 ( -1.482 -12.479 1.201) 12.624 19.631 ( -3.377 -5.633 -4.346) 7.876 20.123 ( 18.037 11.823 2.473) 21.708 20.504 ( -13.716 1.509 -5.094) 14.709 20.800 ( 1.985 8.283 -4.369) 9.572 20.866 ( -10.759 2.978 0.068) 11.164 21.808 ( 0.305 -0.595 6.175) 6.212 21.899 ( -1.923 3.184 -0.218) 3.726 22.363 ( -1.608 0.787 1.493) 2.331 22.392 ( 1.407 0.236 -2.445) 2.831 22.899 ( 4.884 1.828 3.903) 6.513 23.075 ( 1.745 1.023 -5.011) 5.404 23.179 ( 2.950 5.321 1.205) 6.202 23.335 ( 7.901 14.522 -11.309) 20.030 ======================= Grid point 138 (48/102) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 12.326 0.000 15.936) 20.146 0.744 ( -1.335 -0.000 25.516) 25.551 0.874 ( 9.359 0.000 -16.400) 18.882 0.959 ( 13.819 0.000 -13.346) 19.211 1.024 ( 36.447 0.000 15.415) 39.573 1.592 ( 20.563 0.000 -22.134) 30.212 2.024 ( 0.492 0.000 -9.507) 9.519 2.157 ( 8.822 0.000 12.037) 14.923 2.412 ( 5.678 0.000 3.559) 6.701 2.535 ( 9.308 0.000 -2.151) 9.553 2.844 ( 2.695 0.000 7.655) 8.116 2.895 ( -9.684 -0.000 7.564) 12.288 2.952 ( -0.167 -0.000 -2.134) 2.141 3.048 ( -11.121 -0.000 -0.287) 11.125 3.236 ( 6.475 0.000 3.399) 7.313 3.341 ( -4.456 -0.000 -1.034) 4.574 3.442 ( 0.993 0.000 -0.598) 1.159 3.493 ( 1.766 0.000 -2.666) 3.198 3.556 ( 3.468 0.000 4.671) 5.818 3.583 ( 2.637 0.000 -9.717) 10.068 3.752 ( 0.300 0.000 4.209) 4.220 3.909 ( -6.033 -0.000 -0.096) 6.033 3.930 ( -1.382 -0.000 1.945) 2.386 3.996 ( 1.773 0.000 -4.253) 4.608 4.322 ( 2.134 0.000 2.187) 3.056 4.501 ( 15.511 0.000 -11.281) 19.179 4.632 ( -9.499 -0.000 4.230) 10.398 4.658 ( -9.968 -0.000 7.196) 12.294 4.802 ( -4.479 -0.000 -1.512) 4.728 4.845 ( 6.623 0.000 2.461) 7.065 4.896 ( -4.905 -0.000 3.025) 5.763 4.899 ( -1.442 -0.000 -1.699) 2.228 5.078 ( -0.777 -0.000 1.568) 1.750 5.146 ( -1.780 -0.000 1.166) 2.128 5.150 ( 0.911 0.000 -0.121) 0.919 5.332 ( -4.746 -0.000 0.504) 4.773 5.426 ( -12.859 -0.000 4.034) 13.477 5.562 ( -10.293 -0.000 -1.896) 10.466 5.825 ( 16.383 0.000 -10.963) 19.713 5.829 ( -0.965 -0.000 4.863) 4.958 6.001 ( -3.076 -0.000 -3.692) 4.806 6.027 ( 5.774 0.000 4.895) 7.570 6.422 ( 13.938 0.000 -0.893) 13.967 6.424 ( 11.896 0.000 -4.809) 12.831 6.766 ( -6.679 -0.000 -0.567) 6.703 6.807 ( 2.331 0.000 3.043) 3.834 7.051 ( 4.393 0.000 -7.482) 8.676 7.141 ( 16.669 0.000 -1.191) 16.711 7.337 ( 2.654 0.000 10.842) 11.163 7.624 ( 19.532 0.000 -11.579) 22.706 7.870 ( 5.216 0.000 2.736) 5.890 8.048 ( 4.260 0.000 -3.444) 5.478 8.448 ( -2.109 -0.000 -0.111) 2.112 8.678 ( 8.957 0.000 -12.207) 15.140 8.703 ( -5.228 -0.000 4.687) 7.021 9.048 ( 2.749 0.000 2.020) 3.411 9.089 ( -3.942 -0.000 -5.500) 6.766 9.284 ( 9.926 0.000 -5.206) 11.208 9.533 ( 7.495 0.000 -5.249) 9.150 9.717 ( -31.805 -0.000 26.949) 41.687 9.726 ( 8.653 0.000 -8.175) 11.904 10.180 ( 1.255 0.000 12.598) 12.660 10.557 ( -4.357 -0.000 -6.141) 7.530 10.774 ( -4.921 -0.000 2.033) 5.324 10.778 ( -10.879 -0.000 2.669) 11.202 10.876 ( -4.972 -0.000 1.126) 5.098 11.037 ( -1.886 -0.000 4.306) 4.701 11.129 ( 5.516 0.000 -1.552) 5.730 11.140 ( 4.595 0.000 1.706) 4.902 11.425 ( 4.157 0.000 4.083) 5.827 11.546 ( 8.569 0.000 2.880) 9.040 11.803 ( 21.530 0.000 9.336) 23.467 12.511 ( -5.091 -0.000 1.799) 5.400 12.564 ( -6.415 -0.000 -2.258) 6.801 12.699 ( 14.246 0.000 -0.593) 14.259 12.958 ( 10.685 0.000 -7.417) 13.006 13.201 ( -1.178 -0.000 -0.079) 1.181 13.253 ( 3.772 0.000 -0.841) 3.865 14.068 ( -2.692 -0.000 -0.005) 2.692 14.084 ( -1.242 -0.000 -0.457) 1.324 15.795 ( -0.609 -0.000 4.664) 4.703 16.427 ( 14.421 0.000 18.022) 23.082 17.215 ( -3.585 -0.000 -1.457) 3.869 17.407 ( 1.459 0.000 -3.554) 3.842 17.892 ( 10.336 0.000 -2.631) 10.665 17.975 ( 15.974 0.000 -6.870) 17.389 19.317 ( -16.468 -0.000 -3.077) 16.753 19.405 ( -18.876 -0.000 -0.613) 18.886 19.700 ( 4.364 0.000 -0.323) 4.376 19.984 ( 10.709 0.000 -3.085) 11.145 20.212 ( 26.330 0.000 -11.425) 28.702 20.248 ( 12.550 0.000 5.619) 13.751 20.785 ( -1.042 -0.000 0.921) 1.391 20.824 ( 4.310 0.000 -1.503) 4.564 21.873 ( 0.955 0.000 1.069) 1.434 21.890 ( 2.906 0.000 -0.944) 3.056 22.354 ( 0.141 0.000 1.311) 1.318 22.406 ( 1.296 0.000 -1.557) 2.025 22.664 ( -25.022 -0.000 13.974) 28.659 22.933 ( -5.358 -0.000 2.321) 5.839 23.099 ( -2.434 -0.000 0.361) 2.461 23.132 ( -2.225 -0.000 -0.536) 2.289 ======================= Grid point 139 (49/102) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 14.294 -5.581 10.002) 18.316 0.983 ( 15.090 -5.385 -10.643) 19.235 1.089 ( 5.159 -19.824 13.110) 24.320 1.161 ( 14.711 -10.190 -11.228) 21.126 1.435 ( 32.878 -11.785 9.124) 36.099 1.730 ( 18.340 -3.433 -8.556) 20.527 2.056 ( 8.975 -1.147 -8.945) 12.723 2.267 ( 8.979 -2.890 6.731) 11.588 2.508 ( 7.252 -3.956 0.426) 8.272 2.614 ( -2.219 0.818 2.778) 3.648 2.738 ( 2.604 0.928 0.533) 2.815 2.920 ( -2.731 -0.726 5.192) 5.911 2.977 ( 1.278 -3.814 0.543) 4.059 2.987 ( -2.110 0.912 -3.685) 4.344 3.272 ( -2.890 -0.715 -1.535) 3.350 3.292 ( 2.737 2.401 -0.816) 3.731 3.441 ( -1.433 0.697 2.251) 2.759 3.488 ( -1.236 -0.337 -1.083) 1.677 3.585 ( 2.666 -0.658 -2.085) 3.448 3.641 ( 0.848 -0.298 0.681) 1.128 3.764 ( -1.285 -0.487 0.266) 1.400 3.849 ( -5.667 0.743 -0.362) 5.727 3.949 ( -1.783 -2.846 1.776) 3.799 3.981 ( -1.613 0.958 -3.622) 4.079 4.295 ( -0.669 4.934 0.615) 5.017 4.448 ( 1.416 6.774 -3.171) 7.612 4.575 ( -1.153 0.848 3.479) 3.762 4.630 ( -2.531 1.962 0.700) 3.278 4.739 ( -5.589 1.228 0.927) 5.797 4.755 ( -10.866 4.755 3.644) 12.408 4.894 ( 6.649 2.625 1.049) 7.225 4.933 ( 5.796 -1.541 -3.800) 7.100 5.096 ( -5.211 -1.589 -1.540) 5.661 5.183 ( 3.354 -2.191 -2.604) 4.778 5.248 ( 1.687 -8.453 0.603) 8.641 5.288 ( -6.914 -0.128 2.077) 7.220 5.351 ( -11.110 -0.224 4.001) 11.811 5.493 ( -8.639 -0.874 -0.611) 8.704 5.797 ( -4.835 0.005 2.353) 5.377 5.900 ( 7.055 4.407 -3.419) 8.994 5.969 ( -1.724 -3.961 -3.172) 5.359 6.117 ( 5.303 -3.587 2.267) 6.792 6.372 ( 7.685 5.928 1.815) 9.874 6.554 ( 6.031 -1.550 -5.478) 8.294 6.675 ( -0.049 5.295 0.422) 5.312 6.853 ( 3.782 -1.370 3.278) 5.189 7.097 ( 4.798 -1.135 -4.497) 6.674 7.317 ( 15.484 -3.671 -2.625) 16.128 7.421 ( -0.474 -4.784 6.868) 8.383 7.683 ( 17.118 5.005 -11.722) 21.342 7.957 ( 9.527 -2.772 1.225) 9.998 8.069 ( 3.207 0.200 -1.835) 3.700 8.390 ( -2.265 3.401 0.933) 4.191 8.570 ( 5.988 11.381 -6.898) 14.593 8.663 ( -6.208 3.804 3.654) 8.146 8.964 ( -9.549 4.518 0.123) 10.565 9.136 ( 1.129 -3.969 0.282) 4.136 9.304 ( 9.996 6.314 -8.790) 14.732 9.423 ( -5.775 -0.088 15.463) 16.507 9.683 ( 3.363 0.652 6.757) 7.576 9.824 ( 9.580 -1.946 -7.408) 12.265 10.134 ( 2.595 8.709 8.283) 12.296 10.482 ( -2.350 3.487 -6.734) 7.939 10.652 ( -3.401 4.333 2.966) 6.257 10.756 ( -13.049 -2.920 -1.558) 13.462 10.849 ( -1.492 3.584 1.068) 4.027 11.017 ( 1.995 4.279 -0.204) 4.726 11.073 ( 2.231 -1.782 4.474) 5.308 11.329 ( 4.714 -6.923 -0.345) 8.382 11.515 ( 5.799 -2.966 -0.323) 6.521 11.601 ( 8.787 1.017 3.823) 9.637 11.918 ( 7.075 1.687 6.131) 9.513 12.459 ( -5.902 2.728 -2.236) 6.876 12.486 ( -6.283 -0.284 -0.465) 6.306 12.773 ( 17.879 6.876 1.469) 19.212 12.893 ( 12.519 10.573 -2.557) 16.584 13.193 ( -1.474 0.284 0.391) 1.552 13.245 ( 1.574 2.400 -0.323) 2.888 14.055 ( -3.071 1.361 -0.456) 3.390 14.067 ( -4.223 -0.023 -1.395) 4.448 15.820 ( 2.904 -0.368 1.482) 3.281 16.397 ( 3.358 11.624 9.806) 15.574 17.226 ( -2.232 -3.115 -1.079) 3.981 17.474 ( 3.016 -5.117 -0.890) 6.006 17.706 ( 8.251 8.280 -1.269) 11.758 18.367 ( 15.495 -9.717 -0.686) 18.303 19.094 ( -12.180 5.528 -1.159) 13.426 19.405 ( -11.061 -2.891 -0.411) 11.440 19.629 ( 3.187 10.127 -1.477) 10.719 19.856 ( 17.842 26.702 -3.507) 32.306 19.982 ( -3.559 0.028 -1.928) 4.048 20.581 ( -4.014 14.214 0.262) 14.772 20.798 ( 15.153 -20.934 -0.779) 25.855 20.981 ( 8.861 -5.955 0.084) 10.676 21.878 ( 1.000 -1.900 -0.126) 2.151 21.935 ( 4.736 -1.757 2.211) 5.514 22.343 ( -0.408 1.106 0.542) 1.297 22.419 ( 1.160 -1.385 -1.378) 2.272 22.748 ( -16.133 -14.323 2.550) 21.724 22.938 ( -7.562 -4.998 1.497) 9.187 23.097 ( -6.034 -3.134 0.909) 6.860 23.178 ( -4.862 -7.060 0.139) 8.574 ======================= Grid point 140 (50/102) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 15.758 -12.052 1.979) 19.937 1.138 ( 13.574 -2.956 -9.121) 16.619 1.409 ( 13.259 -9.084 -9.832) 18.841 1.540 ( 5.476 -20.243 14.271) 25.366 1.887 ( 14.783 -12.423 4.245) 19.771 1.964 ( 16.766 -7.541 4.266) 18.872 2.125 ( 7.863 -3.105 -5.285) 9.970 2.381 ( 2.710 -0.777 7.500) 8.012 2.576 ( 5.506 -5.334 -7.200) 10.518 2.639 ( 6.137 -3.895 -1.346) 7.392 2.850 ( 5.552 3.605 -6.574) 9.329 2.897 ( 1.944 -5.744 -0.698) 6.104 2.991 ( -2.161 -1.411 3.367) 4.243 3.085 ( 1.046 -6.220 1.035) 6.392 3.228 ( -2.001 4.568 0.730) 5.041 3.269 ( -4.317 -2.184 0.413) 4.855 3.405 ( 0.389 2.779 0.748) 2.904 3.498 ( -5.477 1.304 3.225) 6.488 3.560 ( -3.171 1.426 -0.815) 3.571 3.587 ( 4.040 2.578 -1.821) 5.127 3.768 ( -1.336 -0.818 -1.436) 2.125 3.837 ( -3.567 -2.282 -2.525) 4.931 3.885 ( -3.374 4.517 0.425) 5.654 4.015 ( -2.972 -2.844 -0.026) 4.113 4.160 ( -4.281 4.514 -0.261) 6.227 4.347 ( -0.597 5.041 0.981) 5.170 4.494 ( -2.561 9.204 1.868) 9.735 4.598 ( 1.256 -1.658 -0.054) 2.080 4.677 ( -3.459 0.931 0.467) 3.613 4.724 ( -1.800 -3.438 2.696) 4.725 4.888 ( 4.715 2.258 2.050) 5.615 4.948 ( -1.152 2.090 -3.122) 3.930 5.063 ( -4.464 -0.661 -5.372) 7.016 5.213 ( -2.590 0.340 1.310) 2.923 5.241 ( -5.783 -0.291 1.070) 5.888 5.295 ( -2.861 -0.277 1.700) 3.340 5.418 ( -1.164 -7.776 -1.225) 7.957 5.486 ( -2.692 -4.110 2.079) 5.334 5.752 ( -8.285 0.022 2.545) 8.667 5.866 ( 4.378 1.998 -1.609) 5.074 6.040 ( -1.088 -4.367 -1.716) 4.816 6.240 ( 4.698 -5.065 0.973) 6.976 6.366 ( 8.602 1.827 1.423) 8.908 6.516 ( -6.962 1.599 -3.187) 7.822 6.660 ( 14.503 3.944 -0.379) 15.034 6.923 ( 4.847 -1.831 2.954) 5.965 7.129 ( 2.092 -0.473 -1.727) 2.754 7.432 ( 11.005 1.485 4.115) 11.843 7.509 ( -0.353 -4.234 -3.564) 5.546 7.641 ( 14.275 10.481 -9.356) 20.029 8.074 ( 1.149 0.169 0.792) 1.406 8.089 ( 6.591 -2.157 0.441) 6.949 8.324 ( 0.883 2.765 -1.075) 3.095 8.402 ( 8.153 9.475 -1.640) 12.607 8.546 ( -7.480 3.617 4.279) 9.346 8.811 ( -9.875 4.181 -0.952) 10.765 9.163 ( -2.073 0.728 1.291) 2.548 9.273 ( 7.202 3.886 -1.624) 8.343 9.443 ( -7.554 -1.942 6.996) 10.477 9.692 ( 0.477 1.873 8.597) 8.811 9.891 ( 8.637 0.433 -6.954) 11.097 9.961 ( 2.715 12.475 -0.732) 12.788 10.411 ( 2.290 2.229 -3.001) 4.384 10.598 ( 0.271 0.240 1.083) 1.142 10.697 ( -9.177 -0.946 -2.867) 9.661 10.791 ( 0.189 1.471 1.675) 2.237 10.983 ( 1.952 1.490 -0.663) 2.544 11.153 ( 3.142 -2.988 5.348) 6.885 11.442 ( 6.506 -1.136 0.552) 6.628 11.563 ( 8.788 2.531 -1.417) 9.254 11.677 ( 5.731 -1.260 2.070) 6.222 11.877 ( 0.701 6.137 -0.162) 6.179 12.387 ( -3.601 0.875 -1.364) 3.949 12.436 ( -4.401 1.335 -0.613) 4.640 12.734 ( 11.250 8.574 0.976) 14.179 12.816 ( 15.011 9.572 -0.478) 17.810 13.182 ( -1.539 -0.812 1.220) 2.125 13.214 ( -2.018 0.310 -0.767) 2.181 13.966 ( -4.385 6.175 0.219) 7.577 13.993 ( -5.565 2.440 -1.479) 6.253 15.844 ( 0.729 -0.403 1.193) 1.455 16.217 ( -0.757 9.087 1.162) 9.192 17.274 ( -3.360 -4.347 -0.892) 5.567 17.590 ( 3.017 -5.022 0.367) 5.870 17.727 ( 8.815 -1.778 0.157) 8.994 18.504 ( 9.337 3.271 3.532) 10.505 18.900 ( -8.849 8.505 -2.047) 12.443 19.267 ( 4.538 12.973 1.638) 13.842 19.412 ( 2.992 14.229 -3.673) 14.997 19.596 ( 8.129 12.860 0.692) 15.229 19.993 ( -15.771 -8.995 -2.923) 18.389 20.275 ( -3.639 15.674 0.122) 16.091 21.129 ( 13.846 -2.174 -1.230) 14.070 21.231 ( 8.055 -16.358 3.445) 18.556 21.916 ( 0.979 -2.041 -2.913) 3.689 22.062 ( 4.823 -6.339 3.153) 8.566 22.319 ( -1.546 0.704 0.287) 1.723 22.457 ( 1.616 -1.888 -2.524) 3.542 22.826 ( -8.609 -5.042 2.684) 10.332 22.972 ( -4.480 -2.797 -1.783) 5.574 23.131 ( -11.702 -7.853 1.082) 14.134 23.267 ( -6.518 -6.582 0.132) 9.264 ======================= Grid point 141 (51/102) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 9.597 -6.919 -3.057) 12.220 1.397 ( 12.873 -11.344 0.157) 17.159 1.620 ( 6.797 -7.156 -1.713) 10.017 1.917 ( 6.999 -9.747 8.731) 14.839 2.036 ( 2.885 -6.222 1.792) 7.089 2.167 ( 3.411 -8.995 -2.051) 9.836 2.394 ( 10.834 -9.387 -3.470) 14.749 2.483 ( 7.753 -7.803 2.723) 11.332 2.650 ( 2.616 3.615 0.843) 4.542 2.719 ( 8.321 2.116 -4.255) 9.583 2.869 ( 4.250 -3.816 -4.395) 7.207 2.944 ( -5.685 -1.585 2.536) 6.423 3.013 ( 0.751 0.057 -4.570) 4.632 3.134 ( -2.167 1.400 1.765) 3.125 3.191 ( 0.058 -4.326 1.914) 4.731 3.291 ( -3.856 -2.222 2.088) 4.916 3.348 ( -1.853 4.720 4.152) 6.554 3.403 ( -1.411 0.179 -2.278) 2.686 3.536 ( 0.971 2.321 0.683) 2.607 3.608 ( 0.193 -1.084 -1.239) 1.658 3.762 ( 0.053 0.499 -1.355) 1.445 3.792 ( -4.472 1.925 0.947) 4.960 3.827 ( -3.138 -1.212 -4.513) 5.629 3.999 ( -2.790 0.644 -0.628) 2.931 4.159 ( -2.336 -4.809 2.922) 6.093 4.251 ( -3.240 4.736 3.434) 6.687 4.335 ( -0.443 6.635 0.492) 6.668 4.606 ( -3.021 0.276 -0.574) 3.088 4.648 ( 2.882 2.660 -1.230) 4.111 4.777 ( 1.204 -1.159 -0.987) 1.941 4.877 ( -4.855 -0.466 0.460) 4.899 4.919 ( 3.224 -1.379 -0.130) 3.508 5.036 ( -8.486 -2.224 -1.156) 8.848 5.152 ( -4.916 2.013 1.314) 5.473 5.230 ( -3.019 -2.307 -1.068) 3.947 5.322 ( 3.594 -1.022 0.844) 3.831 5.491 ( -0.329 -3.248 -1.555) 3.616 5.599 ( -1.034 -5.933 1.237) 6.148 5.702 ( -3.711 0.105 2.491) 4.471 5.881 ( 1.896 -0.669 0.107) 2.013 6.074 ( -3.471 -1.017 -1.361) 3.864 6.349 ( 0.155 -4.677 2.565) 5.336 6.396 ( 4.184 2.115 -2.155) 5.160 6.512 ( 6.541 -3.901 0.339) 7.623 6.700 ( 14.025 3.078 -1.405) 14.428 6.992 ( 2.615 -1.650 3.073) 4.359 7.139 ( 0.424 0.356 -0.104) 0.564 7.445 ( 14.882 11.786 -8.406) 20.762 7.505 ( -0.095 1.939 4.015) 4.460 7.554 ( 1.121 0.960 -2.225) 2.670 8.016 ( -4.476 3.843 1.967) 6.218 8.153 ( 4.399 -0.553 0.440) 4.455 8.295 ( -1.085 0.679 -4.684) 4.856 8.377 ( 15.728 4.891 1.511) 16.540 8.441 ( -6.056 3.519 0.922) 7.065 8.683 ( -7.485 1.255 -1.066) 7.664 9.096 ( -4.777 4.683 2.886) 7.286 9.226 ( 1.228 4.172 0.153) 4.352 9.383 ( -11.007 2.244 4.468) 12.090 9.656 ( -2.479 2.814 2.925) 4.756 9.772 ( 4.262 8.189 1.335) 9.328 9.933 ( 7.924 1.287 -7.014) 10.660 10.401 ( 2.475 1.336 0.485) 2.854 10.644 ( -5.297 -4.686 -2.100) 7.377 10.681 ( 5.443 -1.657 -0.638) 5.725 10.805 ( -0.690 -2.789 1.078) 3.069 10.984 ( 2.706 0.153 -1.134) 2.938 11.233 ( 2.284 -2.146 4.823) 5.752 11.479 ( 7.535 3.026 0.793) 8.159 11.569 ( 8.682 3.825 -0.369) 9.494 11.693 ( 6.805 6.612 -1.299) 9.577 11.751 ( -2.128 4.618 -0.761) 5.141 12.322 ( -4.630 2.991 -0.501) 5.535 12.393 ( 0.773 2.184 -0.540) 2.378 12.666 ( 6.986 5.878 1.277) 9.219 12.764 ( 9.021 6.027 -0.561) 10.864 13.211 ( -2.755 -2.359 -1.122) 3.797 13.220 ( 0.618 -3.379 1.395) 3.707 13.793 ( -5.824 8.039 -0.415) 9.935 13.895 ( -5.152 3.760 -0.365) 6.389 15.851 ( -1.368 -0.419 1.070) 1.786 16.080 ( -2.370 5.009 -0.604) 5.574 17.322 ( -1.762 -3.380 -0.617) 3.861 17.697 ( 0.904 -4.831 0.897) 4.996 17.846 ( 7.026 -4.119 -0.611) 8.167 18.464 ( 4.280 6.451 3.745) 8.600 18.638 ( -1.606 14.478 -2.374) 14.759 19.114 ( 3.530 7.634 0.162) 8.412 19.206 ( 5.425 10.744 -1.116) 12.088 19.464 ( 3.718 7.646 0.732) 8.534 19.941 ( -9.439 8.901 -0.764) 12.996 20.064 ( -10.939 -3.301 -0.782) 11.453 21.238 ( 13.653 1.000 -0.112) 13.690 21.544 ( 5.839 -11.911 2.343) 13.470 21.966 ( -0.350 -3.913 -2.397) 4.602 22.162 ( 1.359 0.571 1.079) 1.826 22.327 ( -0.529 -3.162 2.798) 4.255 22.496 ( 2.560 -2.023 -6.204) 7.009 22.847 ( -5.721 -2.412 6.799) 9.207 22.969 ( -3.271 -1.379 -3.674) 5.109 23.196 ( -9.898 -7.724 0.642) 12.572 23.310 ( -6.058 -3.581 -0.380) 7.048 ======================= Grid point 143 (52/102) ======================= q-point: ( 0.45 0.09 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 5.473 -10.523 -0.650) 11.879 1.580 ( 2.177 -2.187 4.627) 5.562 1.807 ( 5.452 -8.997 -1.023) 10.570 2.049 ( 9.904 -3.144 -2.810) 10.764 2.265 ( -4.189 -9.037 3.886) 10.692 2.313 ( 8.592 -4.195 -5.498) 11.029 2.504 ( 0.699 2.062 2.796) 3.544 2.569 ( 0.671 -0.908 -1.796) 2.122 2.649 ( -1.068 5.406 -2.501) 6.051 2.720 ( 6.917 -4.585 1.746) 8.480 2.904 ( -3.779 -1.913 1.474) 4.484 2.925 ( -1.265 0.782 -0.215) 1.503 3.005 ( 3.709 0.274 -1.242) 3.921 3.156 ( 0.865 -1.327 -0.460) 1.649 3.256 ( -1.911 -0.906 2.672) 3.408 3.282 ( 0.131 1.818 1.235) 2.201 3.329 ( -0.528 -3.667 -0.964) 3.828 3.399 ( -0.421 -0.742 -0.796) 1.167 3.516 ( -1.537 1.412 2.531) 3.281 3.579 ( 1.910 1.785 -2.211) 3.424 3.735 ( -0.040 0.003 -3.808) 3.808 3.778 ( -1.320 1.007 1.142) 2.015 3.850 ( -4.004 -5.456 -1.642) 6.964 3.965 ( -1.098 1.287 1.546) 2.291 4.144 ( -5.437 2.577 2.129) 6.382 4.247 ( -0.942 -4.411 1.942) 4.910 4.265 ( 1.558 2.019 -0.490) 2.596 4.525 ( -4.385 5.907 3.754) 8.260 4.638 ( -0.550 -2.334 -3.985) 4.651 4.810 ( 0.948 -1.814 -4.816) 5.233 4.888 ( -0.359 -1.807 -3.148) 3.648 4.934 ( -1.801 0.068 2.138) 2.796 5.048 ( -3.310 -3.103 6.720) 8.108 5.104 ( -1.045 0.150 -0.016) 1.056 5.261 ( -0.007 -1.638 -1.678) 2.345 5.380 ( 0.437 -4.016 -0.537) 4.076 5.536 ( 1.111 -1.867 -3.097) 3.783 5.594 ( -3.893 2.193 1.763) 4.803 5.767 ( 3.247 -4.365 1.772) 5.721 5.890 ( 0.165 1.609 1.507) 2.211 6.037 ( -3.488 0.267 -1.673) 3.877 6.387 ( 2.395 0.540 -2.065) 3.208 6.442 ( -0.116 -4.178 4.483) 6.129 6.625 ( 8.520 0.446 -0.707) 8.561 6.782 ( 11.877 -2.799 -2.817) 12.523 7.016 ( -1.896 1.310 4.296) 4.875 7.115 ( 1.259 3.109 1.123) 3.537 7.281 ( 4.013 8.478 -8.677) 12.778 7.473 ( -1.442 4.198 4.380) 6.236 7.533 ( -1.291 1.364 -1.662) 2.508 7.944 ( -4.517 0.001 2.252) 5.047 8.188 ( 3.049 0.295 -2.937) 4.244 8.242 ( -3.015 1.817 -0.865) 3.624 8.328 ( -7.983 2.138 1.893) 8.479 8.400 ( 12.350 6.279 0.186) 13.856 8.686 ( 3.415 -3.526 -3.098) 5.805 8.934 ( -5.527 8.492 2.900) 10.539 9.181 ( 0.201 0.532 -0.321) 0.653 9.253 ( -8.239 3.441 1.758) 9.100 9.607 ( -4.728 -0.796 0.073) 4.795 9.718 ( 5.359 4.375 6.329) 9.376 9.931 ( 6.975 3.492 -6.618) 10.229 10.401 ( 1.533 0.237 0.932) 1.810 10.664 ( -3.527 -2.671 -1.521) 4.678 10.784 ( 3.460 -3.255 0.390) 4.766 10.887 ( 0.288 -6.153 0.537) 6.183 11.009 ( 2.553 -0.801 -2.012) 3.347 11.285 ( 0.465 -1.504 3.276) 3.634 11.434 ( 1.814 5.994 -0.065) 6.263 11.538 ( 1.596 7.038 1.183) 7.313 11.567 ( 12.910 8.985 -2.758) 15.969 11.701 ( 2.201 2.681 0.079) 3.469 12.230 ( -1.673 3.950 -1.166) 4.445 12.346 ( -0.608 2.930 1.166) 3.211 12.650 ( 4.429 1.317 0.639) 4.665 12.728 ( 3.535 3.152 -0.457) 4.759 13.253 ( -1.562 -4.338 -0.861) 4.690 13.311 ( 2.852 -4.466 1.260) 5.446 13.609 ( -5.414 7.229 -0.532) 9.048 13.787 ( -4.834 3.666 -0.264) 6.073 15.848 ( -2.389 -0.709 1.068) 2.712 15.993 ( -2.430 2.588 -0.860) 3.653 17.367 ( 0.355 -2.359 -0.292) 2.403 17.775 ( -3.621 -4.732 1.805) 6.226 17.954 ( 4.754 -2.700 -2.578) 6.045 18.367 ( -4.817 7.628 2.503) 9.363 18.414 ( 10.486 9.405 -0.606) 14.099 19.010 ( 1.759 6.337 -4.926) 8.217 19.108 ( 5.238 5.403 4.914) 8.988 19.374 ( 2.679 5.152 -0.567) 5.834 19.714 ( -4.926 7.912 -0.156) 9.321 20.067 ( -13.024 -6.005 -0.188) 14.343 21.296 ( 12.279 3.281 0.116) 12.710 21.761 ( 4.040 -7.883 0.900) 8.903 22.037 ( -1.675 -4.839 -0.439) 5.140 22.099 ( -1.976 4.309 -0.688) 4.790 22.380 ( -0.547 -0.882 4.810) 4.920 22.547 ( 3.682 -2.265 -9.257) 10.217 22.865 ( -3.651 -2.146 8.297) 9.316 22.971 ( -2.045 -1.830 -3.001) 4.067 23.260 ( -5.788 -5.869 -0.001) 8.243 23.316 ( -4.265 -1.886 -0.564) 4.697 ======================= Grid point 144 (53/102) ======================= q-point: ( 0.55 0.09 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -2.559 -1.335 6.021) 6.677 1.712 ( 2.318 -7.976 -2.611) 8.707 1.917 ( 3.481 1.752 -4.418) 5.891 2.146 ( -3.221 3.782 1.463) 5.179 2.249 ( 7.713 0.263 -3.103) 8.318 2.369 ( 0.353 1.300 1.870) 2.305 2.431 ( 0.270 8.816 -1.936) 9.030 2.608 ( 3.740 -2.993 -3.279) 5.805 2.625 ( -6.974 -5.746 4.505) 10.097 2.777 ( -3.930 -1.076 3.619) 5.450 2.926 ( -1.736 -3.677 -0.666) 4.121 2.975 ( 4.383 0.206 -0.749) 4.451 3.018 ( 4.033 -0.056 -1.477) 4.296 3.164 ( -2.089 6.179 2.143) 6.866 3.184 ( -0.045 0.288 -0.942) 0.986 3.275 ( 1.962 -0.418 1.258) 2.367 3.303 ( -2.738 1.601 1.065) 3.346 3.426 ( -2.313 -1.471 1.939) 3.358 3.556 ( 5.290 -3.867 -4.664) 8.043 3.614 ( 1.557 -3.358 -1.585) 4.027 3.707 ( -1.818 4.195 -0.185) 4.576 3.742 ( -2.238 0.060 0.754) 2.362 3.900 ( -1.026 -3.048 -1.461) 3.532 3.992 ( 2.655 -2.797 0.223) 3.863 4.090 ( -5.936 -0.665 0.994) 6.056 4.232 ( -2.610 2.706 0.971) 3.883 4.324 ( 2.867 -3.547 -4.374) 6.319 4.422 ( -4.607 1.567 6.500) 8.120 4.659 ( -2.720 -1.225 0.595) 3.042 4.814 ( 0.444 0.704 -5.148) 5.215 4.881 ( -2.553 -0.229 -1.827) 3.148 4.953 ( 0.095 -1.314 2.992) 3.269 5.095 ( 3.565 -1.366 0.452) 3.844 5.152 ( 2.327 -3.526 4.483) 6.160 5.255 ( 0.094 1.453 -1.842) 2.348 5.449 ( -2.490 -0.794 0.182) 2.620 5.527 ( -2.593 -1.927 -0.238) 3.239 5.581 ( 3.137 -1.066 -3.653) 4.932 5.821 ( -2.578 1.914 1.696) 3.631 5.876 ( 4.975 -1.040 0.604) 5.119 6.025 ( 0.163 -0.064 0.547) 0.574 6.382 ( 1.202 1.791 0.849) 2.318 6.497 ( -3.223 -2.466 -2.230) 4.631 6.626 ( 4.424 4.081 0.826) 6.076 6.868 ( -3.751 7.235 2.299) 8.468 6.923 ( 3.117 -0.287 -1.912) 3.667 7.095 ( 0.004 0.249 0.693) 0.737 7.187 ( 1.472 3.822 -1.732) 4.447 7.400 ( -7.062 -0.810 1.580) 7.281 7.467 ( -3.231 3.294 -1.625) 4.892 7.936 ( -5.184 -1.734 0.986) 5.555 8.140 ( -3.263 1.514 -4.848) 6.037 8.227 ( -2.303 0.252 2.458) 3.378 8.266 ( -0.934 2.725 -3.478) 4.516 8.382 ( 5.063 0.094 5.892) 7.769 8.673 ( -4.774 5.418 1.517) 7.379 8.920 ( 14.480 -4.749 -4.325) 15.840 9.170 ( -3.286 1.097 0.887) 3.576 9.213 ( 2.562 -2.587 0.113) 3.643 9.607 ( -5.993 -2.965 3.178) 7.403 9.696 ( 4.815 3.650 4.074) 7.288 9.887 ( 4.569 4.466 -5.720) 8.576 10.421 ( 2.908 -0.253 0.219) 2.927 10.683 ( -3.198 -2.351 0.025) 3.969 10.838 ( -1.585 -1.839 1.366) 2.786 10.985 ( -0.425 -2.977 -0.092) 3.008 11.019 ( 2.046 1.554 -3.538) 4.373 11.287 ( -4.062 1.726 2.811) 5.232 11.331 ( -2.332 3.817 1.475) 4.710 11.420 ( 5.873 5.237 -4.301) 8.968 11.541 ( 8.509 4.103 1.412) 9.552 11.676 ( 4.500 2.800 0.364) 5.312 12.167 ( 0.114 1.685 -1.268) 2.112 12.299 ( -2.305 1.244 1.887) 3.228 12.665 ( 2.937 0.410 -0.634) 3.033 12.700 ( 0.843 1.848 0.266) 2.048 13.328 ( -0.777 -4.360 -0.834) 4.506 13.386 ( 2.044 1.275 1.730) 2.966 13.481 ( -2.331 1.056 -0.423) 2.594 13.715 ( -3.116 -0.178 -0.755) 3.211 15.851 ( -2.733 -1.480 1.605) 3.498 15.945 ( -1.431 0.952 -1.430) 2.236 17.411 ( 2.551 -1.309 -0.101) 2.868 17.832 ( -7.810 -6.166 2.316) 10.216 17.991 ( 3.257 0.738 -4.312) 5.454 18.199 ( 2.775 9.487 0.683) 9.908 18.400 ( 4.115 0.352 2.805) 4.993 18.887 ( -0.695 6.079 -4.398) 7.535 19.089 ( 3.096 1.832 3.766) 5.208 19.305 ( 1.071 3.973 -0.643) 4.165 19.623 ( -0.829 -0.540 -0.162) 1.003 20.087 ( -10.474 -6.112 0.105) 12.128 21.305 ( 10.293 5.038 0.224) 11.461 21.866 ( -1.201 0.041 -0.048) 1.203 22.019 ( 0.143 -0.201 -1.093) 1.120 22.115 ( -1.799 -4.087 0.816) 4.540 22.378 ( -0.499 1.216 3.454) 3.695 22.560 ( 1.443 1.057 -6.688) 6.923 22.919 ( -0.461 -3.680 3.587) 5.160 22.977 ( -1.020 -0.221 0.903) 1.380 23.313 ( -2.768 -2.816 -0.093) 3.950 23.334 ( -0.428 -3.388 -1.127) 3.596 ======================= Grid point 145 (54/102) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -5.399 1.687 7.214) 9.168 1.758 ( -1.176 14.046 -0.070) 14.095 1.796 ( -0.357 0.449 -4.995) 5.028 1.952 ( -2.585 9.360 -3.309) 10.258 2.225 ( -3.248 7.322 1.717) 8.192 2.322 ( 1.559 4.934 -4.846) 7.090 2.380 ( 0.794 -2.966 2.135) 3.740 2.644 ( -7.067 2.086 0.647) 7.396 2.662 ( 2.253 -1.500 -2.239) 3.513 2.766 ( -6.075 2.527 4.251) 7.833 2.847 ( -0.193 3.500 4.004) 5.321 2.981 ( -0.615 3.568 0.507) 3.656 3.046 ( 5.295 -3.932 -3.317) 7.382 3.168 ( 3.869 0.164 -2.906) 4.842 3.187 ( 0.558 -3.565 0.069) 3.609 3.305 ( 0.376 -2.408 -0.030) 2.437 3.326 ( -0.623 -2.795 2.200) 3.611 3.429 ( -2.492 0.554 1.561) 2.992 3.579 ( 1.533 5.554 0.259) 5.768 3.624 ( 2.530 0.150 -3.617) 4.416 3.705 ( -0.309 -3.937 1.901) 4.383 3.743 ( 3.200 -1.434 -1.668) 3.883 3.934 ( -1.253 0.049 0.711) 1.441 4.030 ( 3.719 0.326 -1.481) 4.017 4.101 ( -4.282 -3.351 -0.594) 5.469 4.156 ( -5.270 0.404 0.850) 5.353 4.376 ( 1.529 -1.114 -3.040) 3.580 4.433 ( -1.856 -3.486 2.405) 4.624 4.645 ( -1.697 1.395 4.754) 5.237 4.784 ( 1.025 1.753 -3.888) 4.386 4.866 ( -2.856 -0.648 -0.455) 2.963 4.973 ( -0.016 0.454 3.413) 3.443 5.158 ( 4.029 -2.497 -2.223) 5.236 5.214 ( 1.645 -0.087 -2.306) 2.834 5.260 ( 3.750 -1.579 4.621) 6.158 5.382 ( -1.372 3.362 -0.108) 3.633 5.569 ( -0.010 -1.162 -1.639) 2.009 5.641 ( 1.719 -3.703 -3.424) 5.328 5.753 ( -0.963 3.924 1.066) 4.179 5.906 ( -2.044 -0.172 -2.064) 2.910 6.051 ( 3.807 -0.477 6.333) 7.405 6.338 ( -2.694 2.746 0.872) 3.944 6.462 ( -2.243 2.940 -5.034) 6.246 6.547 ( -3.525 5.475 3.706) 7.492 6.703 ( -1.257 5.743 -3.859) 7.032 6.889 ( -8.979 1.051 2.272) 9.321 7.069 ( -3.851 1.798 3.412) 5.450 7.177 ( 3.597 0.699 -3.556) 5.106 7.362 ( -7.088 -0.372 -0.305) 7.104 7.435 ( -4.493 -3.873 0.052) 5.933 7.932 ( -4.857 -2.389 -0.328) 5.423 8.080 ( -4.217 1.197 -2.926) 5.270 8.194 ( -4.694 0.461 4.174) 6.298 8.225 ( 3.977 1.217 -6.585) 7.789 8.475 ( 0.015 -4.225 10.476) 11.296 8.617 ( 4.243 -0.861 -4.882) 6.525 9.085 ( 4.931 -2.813 2.801) 6.330 9.180 ( 6.048 -2.017 -5.401) 8.356 9.314 ( 7.328 -4.307 2.594) 8.887 9.627 ( -5.674 -2.459 5.899) 8.546 9.682 ( 2.917 1.355 0.533) 3.260 9.833 ( 2.455 2.062 -6.451) 7.203 10.442 ( 4.109 1.404 0.606) 4.384 10.700 ( -2.099 -1.390 1.696) 3.035 10.809 ( -4.723 3.090 -1.520) 5.845 10.938 ( -2.141 4.169 -4.051) 6.195 11.010 ( 0.367 0.450 2.092) 2.171 11.184 ( -4.590 4.477 1.498) 6.584 11.316 ( -3.797 -3.230 1.418) 5.183 11.398 ( 2.101 1.525 -2.578) 3.658 11.549 ( 6.526 1.500 1.255) 6.812 11.689 ( 4.603 -0.611 -0.246) 4.649 12.174 ( 1.229 -2.151 -1.016) 2.678 12.279 ( -2.963 -0.891 1.694) 3.528 12.669 ( 0.534 1.317 -0.085) 1.424 12.672 ( 1.005 1.327 -0.364) 1.704 13.314 ( -0.861 4.380 0.958) 4.566 13.347 ( -0.857 1.424 -1.754) 2.416 13.553 ( 1.641 -6.554 2.578) 7.231 13.760 ( -0.008 -5.653 -1.980) 5.989 15.866 ( -3.666 -2.023 3.059) 5.186 15.929 ( 0.082 -0.234 -2.858) 2.869 17.454 ( 5.469 -0.336 -0.136) 5.481 17.894 ( -11.804 -8.272 1.209) 14.465 17.969 ( 3.473 3.968 -2.838) 5.988 18.055 ( 2.463 9.276 1.177) 9.669 18.457 ( 4.641 -2.783 1.755) 5.689 18.801 ( -4.981 -0.542 -1.504) 5.231 19.088 ( 2.089 1.099 -0.186) 2.368 19.263 ( -2.295 -0.261 0.438) 2.351 19.706 ( 5.351 -6.209 0.158) 8.198 20.134 ( -8.000 -6.714 -0.184) 10.446 21.272 ( 8.805 6.557 0.335) 10.983 21.751 ( -7.103 6.627 -0.428) 9.724 22.090 ( 2.846 -3.727 -0.998) 4.794 22.152 ( -1.074 -0.605 0.963) 1.564 22.353 ( -1.546 1.564 4.489) 4.998 22.519 ( 1.273 2.366 -7.294) 7.773 22.942 ( -1.700 1.379 5.742) 6.145 23.013 ( 2.357 -3.137 -1.921) 4.369 23.341 ( -0.139 -1.461 1.815) 2.334 23.405 ( 2.922 -3.400 -2.691) 5.228 ======================= Grid point 146 (55/102) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -5.667 16.181 3.979) 17.600 1.444 ( -4.360 16.247 1.352) 16.876 1.662 ( -2.922 11.656 -1.086) 12.065 1.847 ( -3.788 0.615 -2.748) 4.720 2.074 ( -2.787 8.255 1.001) 8.770 2.251 ( 0.936 3.086 -6.420) 7.184 2.373 ( -2.544 5.684 1.009) 6.308 2.418 ( -6.561 7.918 1.710) 10.424 2.638 ( -3.525 7.745 8.118) 11.760 2.717 ( 2.434 1.797 -4.793) 5.668 2.839 ( -2.576 0.003 1.105) 2.803 2.930 ( -2.259 1.540 -0.940) 2.891 3.099 ( 4.840 2.878 -1.461) 5.817 3.164 ( -1.486 0.095 -1.657) 2.228 3.252 ( 1.095 -1.910 0.868) 2.366 3.335 ( 1.086 -0.499 -0.683) 1.377 3.392 ( -0.251 -3.906 -1.195) 4.092 3.403 ( -1.886 -0.952 1.737) 2.735 3.516 ( 6.081 2.888 0.408) 6.745 3.631 ( 2.085 0.609 -2.807) 3.550 3.777 ( 1.516 -2.218 1.432) 3.044 3.820 ( 2.684 -4.744 -2.341) 5.932 3.920 ( 2.293 1.312 2.207) 3.442 4.017 ( 0.434 1.807 2.425) 3.055 4.125 ( -2.222 -3.496 -0.072) 4.143 4.169 ( -3.949 -3.579 1.147) 5.452 4.401 ( 2.216 -1.165 -2.724) 3.700 4.489 ( -4.527 -4.461 -1.486) 6.527 4.613 ( -0.497 1.836 5.792) 6.096 4.760 ( 2.764 1.484 -3.057) 4.380 4.861 ( -2.669 -1.152 -1.134) 3.120 4.930 ( -2.724 3.526 1.332) 4.650 5.225 ( 4.077 -2.270 -0.562) 4.700 5.234 ( 5.434 1.348 0.533) 5.624 5.326 ( 4.289 -1.710 1.172) 4.764 5.354 ( -0.452 -1.447 -1.424) 2.080 5.560 ( 3.929 3.246 -3.515) 6.191 5.651 ( -5.434 3.771 1.046) 6.697 5.697 ( 0.372 -0.736 0.106) 0.831 5.859 ( -6.896 0.268 -3.053) 7.546 6.095 ( 1.663 0.737 7.864) 8.072 6.249 ( -4.061 3.932 -0.276) 5.659 6.375 ( -1.181 3.821 -0.715) 4.063 6.461 ( -3.030 1.994 4.288) 5.616 6.582 ( 1.340 5.311 -5.089) 7.477 6.873 ( -10.769 -7.051 -2.118) 13.045 7.001 ( -6.749 1.547 5.023) 8.554 7.115 ( -0.134 5.065 -6.046) 7.888 7.386 ( -4.822 -5.470 2.594) 7.740 7.475 ( -2.540 -3.357 -1.485) 4.464 7.952 ( -5.634 -3.403 1.459) 6.742 8.044 ( -1.660 -0.937 -3.756) 4.212 8.173 ( 0.611 0.336 0.550) 0.887 8.226 ( 0.118 0.398 -2.001) 2.044 8.571 ( -2.385 -5.637 9.399) 11.216 8.700 ( 6.583 -3.616 -6.276) 9.788 9.139 ( 0.379 -1.397 5.226) 5.423 9.248 ( 5.561 -0.588 -5.238) 7.662 9.465 ( 8.882 -4.132 4.319) 10.706 9.622 ( -4.362 0.080 5.501) 7.021 9.696 ( -0.245 -1.556 -0.717) 1.731 9.849 ( 2.031 -3.463 -8.041) 8.987 10.422 ( 3.997 4.229 1.478) 6.004 10.641 ( -5.752 6.822 0.855) 8.964 10.732 ( -0.948 -0.282 -1.413) 1.725 10.853 ( -1.562 2.365 -3.802) 4.742 11.011 ( 1.323 0.249 1.668) 2.144 11.114 ( -5.706 -1.244 2.320) 6.284 11.354 ( -4.449 -2.508 2.414) 5.649 11.376 ( 0.025 -0.004 -2.338) 2.338 11.585 ( 5.867 0.281 -0.044) 5.874 11.731 ( 0.092 -1.133 -0.197) 1.154 12.248 ( -0.019 -4.942 -0.129) 4.943 12.304 ( -0.741 -3.746 -0.027) 3.819 12.632 ( -1.617 1.911 2.512) 3.547 12.662 ( 2.013 1.310 -2.367) 3.372 13.248 ( -0.371 2.694 1.481) 3.096 13.298 ( 0.170 2.461 -2.181) 3.292 13.711 ( 1.272 -8.454 3.843) 9.373 13.876 ( 1.378 -6.721 -3.301) 7.614 15.876 ( -5.416 -1.823 4.914) 7.537 15.938 ( 1.424 -0.858 -4.681) 4.967 17.505 ( 9.010 0.961 0.429) 9.072 17.870 ( 0.945 7.482 -2.828) 8.054 17.897 ( 0.184 7.622 -0.132) 7.625 17.966 ( -13.645 -7.768 2.659) 15.925 18.605 ( 7.770 -8.619 -0.406) 11.611 18.834 ( -7.422 -8.044 1.332) 11.025 19.087 ( 2.456 0.206 -1.204) 2.743 19.281 ( -4.614 -4.348 -0.302) 6.347 19.907 ( 8.702 -9.770 0.781) 13.107 20.205 ( -5.719 -6.944 -0.796) 9.031 21.203 ( 8.160 8.328 0.372) 11.666 21.546 ( -10.284 8.920 -0.251) 13.615 22.115 ( 1.340 4.232 -0.252) 4.447 22.140 ( -0.331 0.853 0.670) 1.134 22.331 ( -2.302 -0.302 5.177) 5.673 22.476 ( 2.414 1.944 -8.730) 9.263 22.919 ( -1.063 1.215 8.090) 8.250 23.071 ( 2.647 -1.793 -4.778) 5.749 23.366 ( 1.340 0.102 3.746) 3.980 23.479 ( 4.767 -2.191 -3.959) 6.573 ======================= Grid point 147 (56/102) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -3.244 19.185 0.190) 19.459 1.106 ( -3.753 12.853 0.174) 13.391 1.398 ( 2.229 16.991 0.615) 17.147 1.697 ( -10.489 9.184 -10.784) 17.626 1.920 ( -3.656 9.582 9.707) 14.121 2.080 ( -1.705 14.650 -1.708) 14.847 2.172 ( -0.704 9.656 8.237) 12.711 2.297 ( -7.997 11.719 5.676) 15.281 2.548 ( 1.945 -5.658 -3.593) 6.979 2.653 ( 3.282 4.571 -7.605) 9.461 2.807 ( 2.300 3.954 -5.225) 6.944 2.841 ( -4.631 5.239 -1.566) 7.165 3.062 ( -4.291 3.202 4.318) 6.878 3.081 ( 0.603 3.674 0.945) 3.841 3.345 ( 5.014 -3.575 -2.501) 6.647 3.365 ( 0.262 0.025 2.731) 2.743 3.399 ( -0.240 0.064 -0.339) 0.420 3.414 ( -1.520 -0.068 1.008) 1.825 3.546 ( 0.265 -1.454 1.442) 2.065 3.649 ( 2.711 -2.541 -6.440) 7.435 3.818 ( 2.228 -0.641 -0.058) 2.319 3.872 ( -1.054 -0.516 -1.275) 1.733 3.964 ( 6.721 -2.362 1.225) 7.228 4.035 ( -0.920 -2.887 2.262) 3.781 4.163 ( 3.536 -0.362 1.333) 3.797 4.252 ( -5.881 -8.226 2.459) 10.407 4.411 ( 5.387 3.389 -1.265) 6.489 4.520 ( -9.083 -6.107 0.234) 10.947 4.632 ( 1.172 -2.352 3.913) 4.714 4.743 ( -1.222 1.448 0.400) 1.937 4.850 ( 1.228 1.006 -2.299) 2.794 4.878 ( -2.057 -2.168 -4.502) 5.404 5.223 ( 7.350 4.725 0.194) 8.740 5.299 ( 2.056 -1.094 1.751) 2.914 5.362 ( -3.082 1.885 1.124) 3.783 5.402 ( 5.484 -3.023 -0.408) 6.276 5.500 ( -0.766 2.125 -1.769) 2.869 5.547 ( -3.121 0.879 -2.129) 3.880 5.738 ( -1.557 -3.079 1.202) 3.654 5.791 ( -2.668 2.607 -1.289) 3.947 6.065 ( -0.808 4.033 2.494) 4.810 6.151 ( -2.239 4.222 -0.006) 4.779 6.314 ( -0.143 2.626 2.283) 3.483 6.391 ( -6.605 1.573 1.186) 6.893 6.594 ( 8.740 -1.583 0.198) 8.885 6.909 ( -8.069 -4.125 -6.900) 11.390 6.954 ( -8.500 -1.205 5.643) 10.274 7.044 ( 1.364 -0.044 -4.380) 4.588 7.438 ( -5.525 -2.968 3.864) 7.366 7.512 ( 0.917 -1.914 -4.478) 4.956 7.952 ( -5.707 -0.464 3.954) 6.959 8.063 ( 0.826 -1.677 -6.701) 6.957 8.195 ( -2.915 -0.557 1.874) 3.510 8.210 ( 3.989 -1.513 -1.474) 4.514 8.685 ( -3.681 -7.018 8.362) 11.521 8.807 ( 5.296 -5.214 -5.510) 9.252 9.163 ( -0.822 -0.005 4.291) 4.370 9.244 ( 2.040 3.297 -2.049) 4.385 9.589 ( 3.019 0.730 5.499) 6.315 9.616 ( 0.333 -4.182 4.865) 6.424 9.715 ( -3.593 -1.758 -0.972) 4.116 9.901 ( -0.022 -1.968 -7.314) 7.574 10.402 ( 5.313 0.279 -0.204) 5.324 10.496 ( -6.348 2.358 -0.427) 6.785 10.733 ( 0.730 0.150 0.562) 0.933 10.804 ( -0.690 1.206 -3.331) 3.610 11.057 ( 6.157 -1.719 0.383) 6.403 11.132 ( -6.320 -4.089 2.873) 8.057 11.344 ( -2.917 -0.165 2.407) 3.786 11.391 ( -1.239 -1.327 -1.927) 2.647 11.610 ( 4.428 1.572 0.159) 4.701 11.719 ( -4.678 0.196 -0.664) 4.729 12.330 ( -0.539 -4.892 1.298) 5.090 12.406 ( 0.320 -6.941 -2.612) 7.424 12.594 ( -1.487 1.372 3.019) 3.635 12.643 ( 1.496 1.825 -1.988) 3.085 13.217 ( -0.334 0.953 1.889) 2.142 13.263 ( 0.923 1.418 -2.013) 2.630 13.876 ( 0.141 -7.934 4.309) 9.030 13.999 ( 2.055 -6.299 -4.365) 7.934 15.873 ( -7.393 -1.792 6.294) 9.873 15.957 ( 3.105 -0.819 -5.799) 6.629 17.526 ( 7.984 5.501 3.678) 10.370 17.716 ( -1.910 8.111 -0.627) 8.356 17.809 ( 9.187 3.747 -2.617) 10.261 17.989 ( -19.927 -7.304 -1.317) 21.264 18.859 ( 8.497 -12.053 -0.925) 14.775 18.973 ( -8.424 -13.302 1.255) 15.795 19.133 ( 5.103 -2.858 2.629) 6.412 19.341 ( -5.746 -6.952 -2.993) 9.503 20.166 ( 6.818 -11.159 1.959) 13.223 20.296 ( -0.950 -6.538 -2.162) 6.952 21.092 ( 7.388 10.751 0.577) 13.058 21.273 ( -12.602 11.850 -0.296) 17.301 22.019 ( 2.600 7.635 0.599) 8.088 22.069 ( -3.069 4.791 1.244) 5.824 22.352 ( -0.958 -1.619 2.442) 3.082 22.441 ( 2.036 1.999 -6.045) 6.685 22.922 ( -0.213 0.002 7.599) 7.602 23.093 ( 1.665 -0.164 -5.674) 5.916 23.364 ( 1.638 2.599 5.205) 6.043 23.526 ( 4.191 -0.131 -6.192) 7.478 ======================= Grid point 148 (57/102) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.287 17.119 5.433) 17.962 0.950 ( 3.039 3.620 -12.624) 13.480 1.100 ( 7.641 20.374 8.222) 23.261 1.392 ( -6.489 12.977 -16.033) 21.623 1.601 ( -6.507 28.551 10.295) 31.041 1.702 ( 2.081 17.184 3.266) 17.615 2.081 ( 4.736 6.514 8.383) 11.625 2.126 ( -6.826 1.546 3.416) 7.788 2.577 ( 0.548 5.165 -5.193) 7.345 2.633 ( 2.337 2.683 -7.066) 7.911 2.709 ( -5.288 2.357 0.931) 5.864 2.809 ( 8.323 -5.297 -6.152) 11.626 2.976 ( -3.521 2.132 4.955) 6.442 3.040 ( 0.738 3.469 0.749) 3.625 3.342 ( -7.271 0.953 2.088) 7.625 3.349 ( 2.951 1.966 1.813) 3.982 3.407 ( -0.992 -0.467 0.448) 1.184 3.444 ( 4.593 -0.933 -2.773) 5.446 3.575 ( -1.529 -1.469 3.813) 4.363 3.700 ( -1.427 -2.730 -5.798) 6.566 3.818 ( -0.135 2.306 2.035) 3.079 3.891 ( 1.605 -2.567 -2.206) 3.746 4.020 ( -1.341 1.287 3.103) 3.617 4.108 ( 4.364 -4.311 -3.871) 7.254 4.215 ( -1.208 4.264 -0.685) 4.485 4.243 ( 0.204 -3.951 -2.816) 4.856 4.496 ( 4.706 -6.618 6.555) 10.436 4.574 ( -8.050 -7.554 0.117) 11.040 4.705 ( -1.248 -2.533 3.435) 4.446 4.724 ( 0.125 -1.983 2.007) 2.824 4.857 ( -0.112 -0.962 -2.228) 2.430 4.932 ( 4.276 -3.407 -6.988) 8.873 5.177 ( -6.594 6.158 0.292) 9.027 5.195 ( 5.905 4.254 -2.242) 7.615 5.365 ( -2.620 -1.053 7.718) 8.219 5.489 ( -4.326 -1.285 3.764) 5.877 5.510 ( -3.809 -2.731 0.482) 4.711 5.542 ( 3.318 -3.344 -6.180) 7.771 5.738 ( 3.270 3.011 -1.412) 4.664 5.746 ( 1.686 2.490 -1.769) 3.489 5.997 ( 3.886 3.011 3.217) 5.875 6.071 ( -2.367 2.588 -2.788) 4.480 6.274 ( -2.088 2.875 3.856) 5.243 6.335 ( 0.384 1.042 -1.751) 2.073 6.706 ( 7.559 -2.233 4.234) 8.948 6.863 ( -9.160 -1.498 -7.170) 11.729 6.980 ( 2.086 -3.235 4.243) 5.729 7.088 ( 2.058 -2.104 -2.879) 4.117 7.428 ( -2.919 0.457 1.254) 3.210 7.505 ( 1.419 3.498 -6.235) 7.289 7.908 ( -2.264 2.504 4.479) 5.609 8.047 ( 2.099 2.196 -6.985) 7.617 8.248 ( -0.665 -6.877 1.922) 7.171 8.308 ( 3.237 -6.153 -0.862) 7.006 8.777 ( -8.010 -5.037 9.213) 13.206 8.945 ( 4.934 -6.631 -5.570) 9.967 9.137 ( -0.778 4.091 3.138) 5.214 9.187 ( 0.751 1.253 0.326) 1.497 9.549 ( -2.765 3.912 7.110) 8.574 9.694 ( -1.123 1.175 -4.554) 4.836 9.735 ( -3.891 -6.507 10.341) 12.823 9.917 ( -0.235 -3.918 -1.830) 4.331 10.458 ( -2.856 -3.717 1.217) 4.843 10.540 ( 4.863 -9.075 -5.263) 11.563 10.742 ( -1.090 -1.176 1.232) 2.023 10.798 ( 4.318 -0.297 -4.654) 6.355 11.115 ( 0.096 -0.417 4.056) 4.078 11.152 ( -4.737 -1.088 -0.171) 4.863 11.328 ( -1.479 0.745 4.377) 4.680 11.411 ( 3.042 -1.275 -2.290) 4.016 11.597 ( 5.019 3.281 1.105) 6.097 11.654 ( -5.878 2.669 -3.767) 7.475 12.446 ( 5.395 -6.212 2.518) 8.604 12.501 ( -4.272 -5.058 -2.225) 6.985 12.586 ( -0.579 -0.275 1.266) 1.419 12.617 ( 0.985 0.426 -1.448) 1.802 13.212 ( -0.771 -0.268 1.738) 1.920 13.246 ( 0.511 0.794 -1.165) 1.500 14.006 ( -0.589 -5.530 3.392) 6.515 14.103 ( 1.551 -4.369 -4.877) 6.729 15.857 ( -10.333 -2.030 7.575) 12.972 16.007 ( 8.252 -2.252 -5.250) 10.037 17.449 ( 3.166 7.595 6.630) 10.567 17.565 ( -1.723 6.586 -1.769) 7.034 17.846 ( -9.347 -0.253 0.136) 9.352 17.946 ( 6.578 -1.061 -8.265) 10.616 19.118 ( 2.462 -10.900 3.233) 11.633 19.171 ( -1.861 -13.265 -1.843) 13.521 19.305 ( 3.992 -11.021 5.660) 13.016 19.442 ( -2.999 -9.606 -5.694) 11.562 20.342 ( -1.303 -4.189 2.889) 5.253 20.428 ( 4.634 -4.912 -4.624) 8.184 20.907 ( -3.046 12.831 3.526) 13.650 20.980 ( -0.975 11.378 -2.784) 11.754 21.905 ( 2.640 6.877 3.462) 8.139 21.959 ( -1.791 4.956 -0.964) 5.357 22.362 ( -1.741 0.007 1.249) 2.143 22.415 ( 2.264 1.376 -3.238) 4.184 22.938 ( -0.641 -0.077 6.401) 6.434 23.081 ( 0.028 0.684 -5.403) 5.446 23.312 ( 0.574 5.543 5.453) 7.797 23.490 ( -0.965 4.840 -10.374) 11.488 ======================= Grid point 151 (58/102) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 9.475 0.000 16.957) 19.425 0.907 ( 15.896 0.000 9.679) 18.611 1.050 ( 19.137 0.000 -9.766) 21.485 1.167 ( 20.324 0.000 -10.247) 22.761 1.632 ( 36.470 0.000 7.700) 37.274 1.852 ( 23.354 0.000 -11.060) 25.840 2.101 ( 13.778 0.000 -12.531) 18.624 2.320 ( 7.672 0.000 5.904) 9.681 2.538 ( 9.529 0.000 0.332) 9.535 2.636 ( 2.020 0.000 5.090) 5.476 2.727 ( -13.863 -0.000 6.384) 15.263 2.877 ( -10.298 -0.000 -3.150) 10.769 2.922 ( 2.874 0.000 5.240) 5.976 2.996 ( 5.573 0.000 -3.031) 6.344 3.233 ( -5.362 -0.000 -4.708) 7.136 3.375 ( -7.085 -0.000 1.483) 7.239 3.385 ( 7.880 0.000 0.955) 7.938 3.523 ( 2.190 0.000 -5.393) 5.820 3.611 ( 4.314 0.000 -5.838) 7.259 3.618 ( 1.116 0.000 7.176) 7.262 3.759 ( -2.094 -0.000 3.691) 4.243 3.813 ( -5.381 -0.000 -1.626) 5.622 3.937 ( 1.703 0.000 2.782) 3.261 3.976 ( -1.162 -0.000 -5.098) 5.229 4.343 ( 0.213 0.000 3.318) 3.324 4.501 ( -12.251 -0.000 2.198) 12.447 4.535 ( -5.379 -0.000 2.496) 5.930 4.620 ( 1.610 0.000 -4.738) 5.004 4.701 ( -7.773 -0.000 -1.529) 7.922 4.850 ( -3.027 -0.000 -0.090) 3.028 4.869 ( 4.311 0.000 -1.104) 4.451 4.962 ( 4.946 0.000 2.707) 5.639 5.080 ( -1.821 -0.000 1.541) 2.385 5.093 ( -8.341 -0.000 -3.205) 8.935 5.174 ( 4.714 0.000 -5.117) 6.957 5.244 ( -9.024 -0.000 7.204) 11.547 5.343 ( 1.643 0.000 -0.938) 1.892 5.404 ( -9.827 -0.000 0.814) 9.861 5.758 ( -9.413 -0.000 7.140) 11.815 5.891 ( -2.407 -0.000 -6.613) 7.038 6.012 ( 10.139 0.000 -8.089) 12.970 6.108 ( 0.252 0.000 9.155) 9.159 6.454 ( -4.098 -0.000 1.752) 4.457 6.532 ( 1.384 0.000 -6.790) 6.930 6.791 ( 9.398 0.000 4.787) 10.547 6.844 ( 2.290 0.000 -1.261) 2.615 7.148 ( 9.939 0.000 -6.644) 11.955 7.317 ( 4.151 0.000 -1.251) 4.335 7.441 ( 6.424 0.000 9.908) 11.808 7.781 ( 8.924 0.000 -8.853) 12.570 8.020 ( 12.173 0.000 -1.716) 12.294 8.092 ( 2.926 0.000 -2.158) 3.635 8.369 ( -8.452 -0.000 4.112) 9.399 8.687 ( -1.804 -0.000 -6.123) 6.384 8.692 ( 2.403 0.000 -5.894) 6.365 8.970 ( -14.050 -0.000 8.774) 16.565 9.051 ( 1.441 0.000 -2.896) 3.235 9.361 ( 1.906 0.000 0.257) 1.923 9.488 ( -4.335 -0.000 13.426) 14.109 9.828 ( 22.335 0.000 -15.200) 27.016 9.847 ( 12.146 0.000 -7.999) 14.544 10.248 ( 0.551 0.000 11.654) 11.668 10.454 ( -6.652 -0.000 -6.139) 9.052 10.568 ( -16.997 -0.000 2.960) 17.253 10.752 ( 2.207 0.000 -1.855) 2.883 10.824 ( -3.494 -0.000 3.396) 4.873 11.072 ( 4.250 0.000 3.331) 5.399 11.210 ( 6.222 0.000 -1.095) 6.318 11.222 ( 5.700 0.000 1.412) 5.873 11.515 ( 5.582 0.000 3.860) 6.787 11.713 ( 10.713 0.000 4.040) 11.449 11.949 ( -2.303 -0.000 2.878) 3.686 12.413 ( -8.255 -0.000 2.662) 8.674 12.447 ( -5.269 -0.000 -4.022) 6.629 13.009 ( 15.119 0.000 4.988) 15.920 13.032 ( 3.105 0.000 -3.610) 4.762 13.217 ( 6.632 0.000 1.876) 6.892 13.334 ( 8.114 0.000 -3.568) 8.864 14.018 ( -3.840 -0.000 0.444) 3.866 14.044 ( -3.607 -0.000 -0.968) 3.735 15.838 ( 1.489 0.000 -0.337) 1.527 16.472 ( -16.215 -0.000 12.489) 20.467 17.310 ( 13.192 0.000 4.659) 13.990 17.440 ( 5.377 0.000 -4.191) 6.817 18.072 ( 12.157 0.000 3.207) 12.573 18.140 ( 11.056 0.000 -7.158) 13.171 19.076 ( -13.603 -0.000 -4.468) 14.317 19.136 ( -17.090 -0.000 1.959) 17.202 19.750 ( 3.183 0.000 -0.483) 3.220 20.052 ( 0.724 0.000 0.463) 0.859 20.468 ( 9.475 0.000 10.377) 14.052 20.501 ( 19.175 0.000 -18.668) 26.761 20.776 ( 0.033 0.000 1.964) 1.964 20.940 ( 13.104 0.000 -6.239) 14.514 21.898 ( 1.270 0.000 2.731) 3.012 21.947 ( 5.346 0.000 -1.968) 5.697 22.349 ( -5.124 -0.000 3.938) 6.462 22.421 ( 1.396 0.000 -0.843) 1.631 22.435 ( -11.148 -0.000 14.048) 17.934 22.821 ( -8.849 -0.000 -1.616) 8.996 23.049 ( -4.408 -0.000 0.067) 4.409 23.077 ( -4.177 -0.000 -0.859) 4.265 ======================= Grid point 152 (59/102) ======================= q-point: ( 0.27 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 16.412 -5.216 5.423) 18.055 1.191 ( 17.390 -2.899 -8.026) 19.371 1.254 ( 8.744 -15.607 11.635) 21.340 1.372 ( 18.898 -6.769 -8.740) 21.894 1.929 ( 24.707 -1.091 3.094) 24.924 1.999 ( 21.555 -4.229 -1.256) 22.002 2.199 ( 13.622 1.438 -5.755) 14.858 2.401 ( 2.678 -0.832 5.637) 6.296 2.538 ( -1.225 0.908 -1.970) 2.492 2.636 ( 8.566 -2.471 -0.786) 8.950 2.782 ( -0.927 -7.539 3.725) 8.460 2.838 ( -7.740 -3.179 -1.473) 8.496 2.959 ( -0.317 -1.419 1.714) 2.248 3.040 ( 5.477 -0.390 -3.627) 6.580 3.192 ( -2.771 -1.450 -2.773) 4.180 3.311 ( -5.216 2.680 3.034) 6.603 3.428 ( 2.667 -0.319 0.231) 2.696 3.482 ( -0.643 3.745 -0.278) 3.810 3.606 ( 1.785 -1.445 -4.180) 4.769 3.659 ( -1.910 4.713 4.870) 7.041 3.749 ( -0.045 -1.138 -0.611) 1.292 3.773 ( -2.831 -0.482 -1.175) 3.103 3.927 ( -2.807 2.037 -3.504) 4.930 3.962 ( 1.445 -0.060 2.979) 3.312 4.256 ( -4.693 7.917 0.492) 9.217 4.403 ( -4.418 2.201 2.359) 5.471 4.562 ( -5.862 -2.226 0.626) 6.302 4.585 ( -5.998 4.407 0.157) 7.445 4.622 ( -0.114 -3.990 -1.299) 4.198 4.711 ( -0.517 5.693 0.738) 5.764 4.937 ( -5.173 1.324 1.316) 5.499 4.994 ( -3.477 -0.204 -3.178) 4.715 5.030 ( 7.995 1.191 -2.895) 8.586 5.143 ( -8.800 -4.279 0.301) 9.789 5.198 ( -2.918 -0.671 0.379) 3.018 5.256 ( -1.422 -7.456 -1.169) 7.680 5.317 ( 2.986 1.311 2.499) 4.108 5.376 ( -7.449 -2.345 2.089) 8.083 5.687 ( -9.597 0.304 4.478) 10.595 5.926 ( -0.352 -4.987 -3.605) 6.164 5.987 ( 4.670 5.062 -1.875) 7.138 6.194 ( 3.860 -4.431 2.461) 6.371 6.422 ( -2.288 -0.292 2.747) 3.587 6.499 ( -1.547 1.802 -5.077) 5.605 6.816 ( 9.874 2.900 -0.307) 10.296 6.922 ( 5.452 -2.438 2.057) 6.316 7.165 ( 5.122 2.228 -1.635) 5.820 7.397 ( -2.063 -5.757 0.452) 6.132 7.506 ( 7.120 -0.075 2.832) 7.663 7.818 ( 8.022 1.400 -9.988) 12.887 8.095 ( 1.148 0.907 -1.408) 2.031 8.113 ( 9.531 -1.094 -0.659) 9.616 8.323 ( -6.105 -0.259 3.700) 7.144 8.574 ( -4.406 7.846 0.130) 9.000 8.647 ( 3.577 4.955 -4.201) 7.416 8.801 ( -12.800 4.733 2.894) 13.950 9.126 ( -0.999 -3.336 -0.131) 3.485 9.368 ( -1.622 -0.459 -0.897) 1.910 9.452 ( 3.639 5.044 8.136) 10.241 9.822 ( 12.112 7.581 -1.890) 14.413 9.950 ( 10.438 0.350 -7.414) 12.807 10.181 ( -2.837 8.774 4.790) 10.392 10.412 ( -0.814 -1.091 -2.437) 2.791 10.525 ( -12.997 -5.766 -1.573) 14.306 10.678 ( 3.494 6.184 0.293) 7.108 10.835 ( -0.782 0.388 2.316) 2.475 11.082 ( 6.147 5.138 -0.023) 8.012 11.170 ( 7.587 0.278 3.411) 8.323 11.408 ( 5.897 -7.068 -0.060) 9.206 11.613 ( 6.971 -3.510 0.781) 7.843 11.760 ( 9.104 3.281 4.074) 10.500 11.918 ( -5.065 0.776 -0.899) 5.202 12.357 ( -7.056 0.316 1.290) 7.180 12.409 ( -2.475 -0.356 -2.396) 3.463 12.997 ( 6.217 5.763 -1.637) 8.634 13.064 ( 8.300 2.609 2.384) 9.021 13.206 ( 5.753 6.652 1.701) 8.958 13.304 ( 8.139 8.716 -1.261) 11.992 13.968 ( -6.415 1.132 -1.107) 6.607 14.011 ( -4.186 1.966 -0.021) 4.625 15.837 ( -1.966 -0.221 0.221) 1.990 16.308 ( -16.113 5.069 4.379) 17.450 17.309 ( 10.261 6.299 0.829) 12.069 17.546 ( 6.463 -4.065 -0.136) 7.636 17.867 ( 13.154 9.441 -0.939) 16.218 18.519 ( 5.058 -9.566 2.491) 11.104 18.916 ( -10.555 3.358 -1.940) 11.244 19.188 ( -16.331 -13.570 0.400) 21.237 19.668 ( 2.418 10.566 0.353) 10.845 19.890 ( -2.850 12.816 0.697) 13.148 20.151 ( 15.493 26.402 -6.178) 31.230 20.533 ( -0.659 13.298 -1.152) 13.365 20.983 ( 8.027 -17.620 4.257) 19.824 21.136 ( 12.899 -7.467 -5.373) 15.843 21.904 ( 2.253 -0.912 1.377) 2.794 22.018 ( 5.148 -2.701 1.245) 5.945 22.336 ( -1.117 1.137 -0.218) 1.608 22.417 ( -1.568 -2.311 0.449) 2.829 22.566 ( -8.437 -13.536 3.735) 16.381 22.822 ( -8.278 -6.208 1.239) 10.421 23.012 ( -5.969 -0.146 0.194) 5.974 23.098 ( -5.340 -5.792 -1.088) 7.953 ======================= Grid point 154 (60/102) ======================= q-point: ( 0.36 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 13.240 -5.463 -3.439) 14.730 1.319 ( 16.351 -4.938 -2.852) 17.317 1.574 ( 11.687 -6.243 -4.221) 13.906 1.661 ( 3.550 -17.425 10.864) 20.839 2.069 ( 8.515 -2.899 3.173) 9.538 2.136 ( 2.401 5.556 1.667) 6.278 2.320 ( 16.079 -8.178 -5.755) 18.934 2.436 ( 7.399 -4.242 2.747) 8.960 2.683 ( 5.798 -3.718 -0.361) 6.897 2.730 ( 6.824 -4.478 -2.982) 8.690 2.846 ( -7.080 -1.023 1.523) 7.314 2.881 ( 4.315 -3.927 -5.597) 8.085 2.997 ( 2.287 -2.408 -2.956) 4.446 3.079 ( -1.833 -2.936 2.116) 4.056 3.209 ( -4.289 2.842 3.704) 6.340 3.242 ( 1.659 -1.108 1.940) 2.783 3.393 ( -2.922 2.477 -0.564) 3.872 3.457 ( -0.177 3.084 2.955) 4.275 3.520 ( -3.001 2.938 0.520) 4.231 3.642 ( 4.795 -0.054 -3.863) 6.158 3.739 ( -3.272 0.318 -0.776) 3.378 3.795 ( 0.768 -1.427 -1.752) 2.386 3.830 ( -4.373 4.622 0.428) 6.378 3.992 ( -0.026 -1.073 1.684) 1.997 4.104 ( -2.347 3.243 -1.453) 4.259 4.312 ( -5.138 4.565 2.008) 7.161 4.430 ( -4.622 5.345 -0.131) 7.067 4.602 ( -0.927 0.099 0.451) 1.036 4.633 ( -3.451 -2.024 0.593) 4.045 4.743 ( 1.870 -4.063 -0.049) 4.473 4.874 ( -3.699 1.711 -1.023) 4.202 4.930 ( -7.060 1.206 1.516) 7.321 4.986 ( 0.998 3.568 -2.492) 4.465 5.142 ( -2.542 -1.009 -2.870) 3.965 5.161 ( -5.507 0.393 1.012) 5.613 5.337 ( -0.482 -0.303 3.092) 3.144 5.384 ( -1.797 -6.929 -0.523) 7.177 5.460 ( 0.272 -8.759 0.874) 8.807 5.649 ( -5.946 -1.894 3.014) 6.930 5.928 ( 4.276 3.343 -0.230) 5.432 6.016 ( -0.526 -3.719 -2.921) 4.758 6.285 ( 0.194 -3.040 1.928) 3.605 6.443 ( -1.642 -0.380 0.324) 1.716 6.489 ( 8.027 -2.697 -1.555) 8.609 6.841 ( 9.106 2.261 -1.456) 9.495 6.997 ( 4.773 -0.898 2.669) 5.542 7.157 ( 1.776 1.328 0.257) 2.233 7.462 ( -3.642 -3.721 1.729) 5.486 7.554 ( 3.889 0.131 -1.142) 4.056 7.759 ( 6.294 9.519 -8.892) 14.467 8.054 ( -3.054 2.776 0.684) 4.184 8.185 ( 4.612 -0.233 1.673) 4.912 8.294 ( -1.413 1.197 -2.295) 2.949 8.415 ( -5.700 4.441 2.953) 7.806 8.599 ( 7.062 3.887 -2.020) 8.310 8.651 ( -9.028 2.247 0.717) 9.331 9.119 ( -3.273 1.598 -0.409) 3.665 9.335 ( -8.511 0.660 2.213) 8.819 9.384 ( 5.766 8.393 2.391) 10.460 9.744 ( 1.217 6.812 5.244) 8.683 9.974 ( 0.507 10.320 0.097) 10.333 10.003 ( 9.173 1.009 -6.055) 11.038 10.438 ( 0.565 -0.134 1.431) 1.544 10.528 ( -5.912 -3.576 -2.753) 7.438 10.661 ( 5.426 -1.181 -1.672) 5.800 10.817 ( 1.750 1.771 2.234) 3.345 11.050 ( 6.652 3.320 -1.203) 7.531 11.240 ( 4.699 -0.615 4.381) 6.454 11.551 ( 7.806 -3.058 -0.365) 8.392 11.690 ( 8.344 1.866 -1.530) 8.686 11.776 ( 5.305 2.518 2.552) 6.403 11.846 ( -1.725 2.885 -0.863) 3.470 12.306 ( -5.402 0.481 0.182) 5.426 12.405 ( -0.751 -0.388 -0.876) 1.217 12.912 ( 11.148 11.065 0.104) 15.707 13.042 ( 13.748 10.787 0.375) 17.479 13.165 ( -1.670 -2.090 0.384) 2.703 13.182 ( -0.690 5.199 -0.251) 5.250 13.870 ( -7.503 4.805 -0.454) 8.922 13.908 ( -5.661 3.718 -0.577) 6.797 15.824 ( -3.869 -0.728 0.443) 3.962 16.122 ( -11.098 4.227 0.633) 11.893 17.305 ( 6.414 1.205 -0.129) 6.528 17.645 ( 3.086 -2.828 0.447) 4.209 17.891 ( 13.401 0.871 -0.557) 13.441 18.576 ( -0.435 3.341 3.413) 4.796 18.777 ( -6.018 4.979 -2.220) 8.120 19.245 ( -7.823 0.274 -0.554) 7.848 19.481 ( 3.608 11.446 4.811) 12.929 19.681 ( 0.311 8.902 -0.200) 8.910 19.817 ( -1.232 11.842 -5.228) 13.003 20.259 ( 1.492 16.592 -1.476) 16.725 21.316 ( 8.283 -7.618 3.541) 11.797 21.352 ( 9.443 -11.540 -1.894) 15.031 21.933 ( 2.978 -0.161 -2.142) 3.672 22.145 ( 4.180 -5.508 3.435) 7.721 22.294 ( -1.816 1.310 -0.394) 2.273 22.456 ( -0.496 -2.676 -2.661) 3.807 22.719 ( -5.485 -8.332 0.250) 9.978 22.896 ( -5.642 -6.005 2.169) 8.521 22.979 ( -9.312 -3.766 1.168) 10.112 23.168 ( -6.341 -6.386 -1.182) 9.077 ======================= Grid point 155 (61/102) ======================= q-point: ( 0.45 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 7.782 -4.432 -1.149) 9.029 1.582 ( 10.285 -5.122 0.408) 11.497 1.698 ( 5.805 -5.398 -3.067) 8.499 1.996 ( -2.878 -16.186 9.747) 19.112 2.086 ( 5.886 0.119 -1.835) 6.167 2.240 ( 5.573 -6.946 -1.841) 9.094 2.442 ( 1.504 -3.299 -1.370) 3.876 2.668 ( 8.875 -2.954 -1.826) 9.530 2.689 ( 4.470 -1.099 -0.710) 4.657 2.756 ( -1.808 5.317 -2.963) 6.350 2.832 ( -3.738 -2.147 0.788) 4.382 2.970 ( 2.038 2.089 3.212) 4.340 3.030 ( 6.288 -0.463 -3.293) 7.113 3.133 ( 2.941 -6.446 -2.770) 7.608 3.183 ( -1.494 -0.693 3.316) 3.702 3.255 ( -1.747 -0.340 2.204) 2.833 3.360 ( -2.066 2.871 5.381) 6.439 3.368 ( -0.828 -0.226 -1.752) 1.951 3.523 ( -2.275 -0.579 1.120) 2.601 3.646 ( 4.984 2.927 -3.857) 6.949 3.708 ( -5.838 -0.978 0.504) 5.941 3.741 ( -4.323 -0.568 0.630) 4.405 3.829 ( 6.015 1.212 -4.291) 7.487 3.958 ( -1.935 1.643 -0.361) 2.563 4.140 ( -1.715 -5.853 2.258) 6.504 4.182 ( -6.812 5.027 1.921) 8.681 4.322 ( -1.744 4.257 -0.203) 4.605 4.556 ( -3.182 1.488 1.023) 3.658 4.662 ( -3.084 4.539 0.405) 5.503 4.707 ( -5.665 -3.755 -2.846) 7.369 4.877 ( 1.818 -1.757 -4.060) 4.782 4.936 ( -1.253 -0.792 0.819) 1.694 4.965 ( 0.847 -3.446 4.248) 5.535 5.108 ( -0.701 1.119 0.011) 1.320 5.164 ( -5.086 -4.363 -1.444) 6.855 5.352 ( -2.597 -1.387 1.402) 3.261 5.479 ( -0.992 -4.525 -0.598) 4.671 5.578 ( 1.805 -2.633 -0.184) 3.197 5.696 ( -0.368 -5.170 2.080) 5.585 5.926 ( 4.115 0.381 0.885) 4.226 6.020 ( -2.414 1.128 -2.179) 3.442 6.338 ( -0.716 -3.592 -3.151) 4.832 6.458 ( 2.946 -0.055 7.139) 7.723 6.634 ( 8.757 -4.896 -3.287) 10.557 6.861 ( 7.387 1.677 -2.013) 7.838 7.030 ( 2.098 1.095 2.868) 3.718 7.147 ( 0.196 0.652 1.634) 1.770 7.472 ( -0.837 2.950 -4.864) 5.750 7.537 ( -2.587 3.034 1.677) 4.326 7.570 ( 2.063 9.899 -2.130) 10.333 7.959 ( -3.762 4.191 1.198) 5.758 8.196 ( -1.038 0.739 4.431) 4.611 8.243 ( -2.151 2.577 -7.400) 8.126 8.317 ( -5.640 2.367 0.716) 6.158 8.546 ( -1.956 1.417 0.099) 2.418 8.678 ( 9.427 -1.725 -1.346) 9.677 9.034 ( -2.554 5.253 0.213) 5.845 9.235 ( -10.771 2.499 6.994) 13.083 9.263 ( 3.235 7.497 -1.596) 8.320 9.618 ( -2.998 5.795 -1.233) 6.640 9.855 ( 3.599 5.165 7.075) 9.471 10.039 ( 10.368 2.577 -7.403) 12.998 10.424 ( -0.733 0.766 2.318) 2.549 10.566 ( -2.978 -3.791 -2.419) 5.394 10.761 ( 5.376 -5.106 -1.645) 7.594 10.820 ( 2.515 0.249 1.553) 2.966 11.049 ( 5.768 1.765 -1.635) 6.250 11.268 ( -0.622 -0.063 2.896) 2.963 11.590 ( 5.693 5.994 -0.871) 8.313 11.677 ( 6.079 5.637 1.217) 8.379 11.742 ( 2.178 0.749 0.986) 2.505 11.817 ( 10.212 6.068 -1.642) 11.992 12.257 ( -3.408 1.414 -0.522) 3.726 12.387 ( -1.722 1.744 0.269) 2.465 12.791 ( 8.791 9.396 0.113) 12.867 12.901 ( 8.446 12.065 0.103) 14.728 13.161 ( -3.146 -3.561 -0.090) 4.752 13.238 ( 1.220 -5.372 0.276) 5.516 13.699 ( -6.386 7.402 0.107) 9.777 13.803 ( -6.557 3.121 -1.019) 7.333 15.811 ( -3.933 -1.072 0.405) 4.097 15.999 ( -7.677 1.925 0.027) 7.914 17.347 ( 4.567 -1.036 -0.181) 4.686 17.693 ( -2.301 -2.133 0.674) 3.210 17.983 ( 11.626 -0.148 -1.064) 11.676 18.460 ( -4.227 7.317 2.680) 8.864 18.645 ( 2.371 7.307 -1.670) 7.861 19.128 ( -0.967 6.104 -3.871) 7.293 19.328 ( 6.984 11.359 7.827) 15.462 19.511 ( 4.388 9.775 -2.779) 11.069 19.740 ( -14.521 -5.563 -0.662) 15.564 19.976 ( -2.244 12.875 -1.369) 13.141 21.450 ( 13.836 0.867 -0.179) 13.865 21.618 ( 2.773 -11.277 2.697) 11.922 21.961 ( 1.516 -2.050 -2.985) 3.926 22.166 ( -1.147 4.359 0.028) 4.507 22.334 ( -1.101 -4.685 4.886) 6.858 22.499 ( 1.933 -3.154 -7.512) 8.373 22.803 ( -3.491 -4.252 5.468) 7.757 22.910 ( -2.664 -1.618 -2.406) 3.938 23.062 ( -8.253 -9.996 1.745) 13.080 23.217 ( -5.870 -4.553 -1.076) 7.506 ======================= Grid point 156 (62/102) ======================= q-point: ( 0.55 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.054 -7.163 2.180) 7.561 1.621 ( 3.612 0.396 -1.884) 4.093 1.898 ( 7.064 -6.798 -1.885) 9.984 2.135 ( -0.343 -1.987 -0.635) 2.114 2.222 ( 0.135 -7.963 3.594) 8.738 2.379 ( -0.620 -5.899 0.200) 5.935 2.495 ( 1.225 0.282 -0.236) 1.279 2.607 ( 3.099 3.853 -2.006) 5.336 2.623 ( 0.224 6.364 -3.556) 7.294 2.781 ( -1.083 1.781 5.798) 6.161 2.838 ( -1.456 -2.261 -3.607) 4.499 2.946 ( 1.401 -3.022 3.431) 4.782 3.095 ( 7.976 1.340 -2.888) 8.588 3.165 ( -1.972 0.605 1.496) 2.549 3.244 ( 3.617 -3.394 -3.068) 5.832 3.287 ( -1.967 4.279 3.016) 5.592 3.317 ( -1.340 -0.929 -0.103) 1.634 3.378 ( -4.204 -1.346 4.219) 6.106 3.511 ( 3.449 -1.943 -4.784) 6.209 3.605 ( 0.650 1.939 -1.305) 2.426 3.701 ( -3.055 -1.824 -0.308) 3.571 3.775 ( -0.234 1.139 -0.127) 1.170 3.802 ( 0.259 -2.553 -0.051) 2.566 3.977 ( 1.217 -3.052 0.923) 3.413 4.058 ( -5.892 3.256 0.846) 6.784 4.219 ( -3.748 -1.757 1.230) 4.318 4.275 ( 1.292 -2.240 -2.540) 3.625 4.449 ( -8.053 5.292 5.619) 11.155 4.607 ( -2.045 -1.341 -1.823) 3.050 4.738 ( -5.485 -3.860 -3.243) 7.450 4.890 ( 1.258 0.767 -2.196) 2.645 4.966 ( 4.248 -0.513 1.013) 4.397 5.076 ( 2.938 -5.192 4.160) 7.273 5.116 ( 1.781 -1.595 0.038) 2.391 5.222 ( -3.596 -4.625 -0.953) 5.936 5.353 ( -3.897 -2.710 -0.130) 4.748 5.511 ( -2.282 -0.219 -0.543) 2.356 5.614 ( 5.618 0.867 -2.053) 6.043 5.778 ( -2.941 -3.707 1.942) 5.114 5.947 ( 3.714 3.315 1.275) 5.139 5.997 ( 1.225 -2.761 -1.121) 3.222 6.387 ( -0.162 -3.420 -5.516) 6.493 6.484 ( 1.728 2.481 8.534) 9.054 6.718 ( 4.415 1.260 -2.205) 5.093 6.900 ( 5.115 -0.955 -3.366) 6.197 6.992 ( -3.081 3.587 2.567) 5.381 7.146 ( 2.465 2.092 4.266) 5.352 7.290 ( 2.687 9.587 -7.218) 12.298 7.406 ( -8.987 6.524 4.369) 11.934 7.498 ( -2.099 2.397 -1.807) 3.663 7.895 ( -2.767 0.457 0.751) 2.903 8.122 ( -6.587 2.699 -6.164) 9.416 8.184 ( -5.519 -0.225 5.370) 7.704 8.291 ( 2.139 -0.120 -2.545) 3.326 8.493 ( 2.015 4.967 1.253) 5.504 8.731 ( -2.832 2.621 0.685) 3.919 8.971 ( 11.587 0.656 -3.204) 12.039 9.154 ( -6.117 0.350 2.822) 6.746 9.201 ( 2.407 0.871 1.222) 2.836 9.531 ( -5.513 0.069 0.196) 5.517 9.824 ( 4.771 4.353 5.998) 8.814 10.019 ( 7.871 5.680 -6.145) 11.488 10.432 ( 1.746 -0.877 1.431) 2.421 10.596 ( -4.094 -3.223 -1.468) 5.413 10.834 ( 2.285 0.480 1.541) 2.798 10.894 ( 2.045 -5.688 -1.301) 6.183 11.059 ( 4.110 0.934 -2.207) 4.758 11.246 ( -6.270 0.229 1.214) 6.391 11.471 ( 1.634 8.783 3.166) 9.478 11.585 ( 4.400 8.056 -2.482) 9.509 11.743 ( 10.899 7.986 -0.127) 13.512 11.777 ( 7.570 3.248 0.096) 8.238 12.204 ( -0.871 2.294 -0.972) 2.639 12.319 ( -3.818 2.997 1.209) 5.002 12.727 ( 5.272 3.885 -0.105) 6.550 12.778 ( 2.873 6.137 0.125) 6.778 13.231 ( -0.975 -5.401 0.891) 5.560 13.360 ( 2.833 -5.911 -0.143) 6.557 13.530 ( -4.644 6.569 0.181) 8.047 13.699 ( -6.064 2.410 -1.431) 6.680 15.808 ( -2.984 -1.346 0.951) 3.409 15.933 ( -4.809 0.318 -0.579) 4.854 17.405 ( 4.394 -1.686 -0.083) 4.707 17.701 ( -6.614 -2.703 0.627) 7.172 18.046 ( 8.503 1.355 -2.307) 8.914 18.306 ( -5.071 5.611 2.654) 8.015 18.550 ( 7.887 7.416 0.611) 10.843 18.995 ( -1.358 7.069 -6.498) 9.697 19.221 ( 6.307 7.918 7.623) 12.672 19.419 ( 4.706 5.009 -2.537) 7.327 19.642 ( -5.005 5.832 0.302) 7.691 19.864 ( -13.104 -6.368 -0.389) 14.574 21.497 ( 13.614 5.050 0.281) 14.523 21.802 ( 0.519 -6.816 1.840) 7.079 22.016 ( -0.345 -3.290 -1.938) 3.834 22.060 ( -2.573 3.795 -1.415) 4.798 22.382 ( -2.172 -1.040 5.819) 6.298 22.552 ( 2.337 -1.760 -8.893) 9.362 22.855 ( -2.298 -3.481 7.304) 8.411 22.943 ( -0.075 -2.830 -2.474) 3.760 23.182 ( -4.457 -8.131 0.500) 9.286 23.252 ( -3.807 -4.058 -0.983) 5.650 ======================= Grid point 157 (63/102) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -1.384 0.182 4.584) 4.792 1.731 ( 2.588 -6.033 -5.673) 8.676 1.949 ( 2.194 5.483 -0.916) 5.976 2.078 ( -4.341 6.007 -1.027) 7.482 2.333 ( -0.222 -1.226 4.347) 4.522 2.383 ( 2.682 8.643 1.383) 9.155 2.447 ( 3.180 2.129 -4.042) 5.566 2.528 ( -6.360 -2.464 2.303) 7.199 2.636 ( 1.455 -2.754 -1.572) 3.489 2.727 ( -4.325 0.952 1.660) 4.730 2.950 ( 5.528 -7.061 -1.911) 9.169 3.012 ( 0.203 3.669 1.095) 3.835 3.083 ( 3.759 4.156 -2.171) 6.009 3.106 ( -5.682 1.872 3.698) 7.033 3.196 ( 1.357 0.057 1.549) 2.060 3.276 ( -0.915 -0.179 0.510) 1.062 3.314 ( 2.431 -0.556 -2.039) 3.221 3.382 ( -3.644 -2.614 -0.570) 4.520 3.591 ( -1.353 -1.025 1.260) 2.114 3.624 ( 3.008 -3.089 -5.904) 7.311 3.700 ( 0.302 0.339 3.298) 3.329 3.749 ( 3.809 0.248 -2.885) 4.785 3.891 ( 0.095 -4.097 0.640) 4.148 4.000 ( -5.524 -1.640 0.242) 5.767 4.043 ( 3.784 -1.636 -0.635) 4.171 4.167 ( -5.634 2.897 1.380) 6.484 4.348 ( -2.422 -1.960 2.126) 3.772 4.366 ( -0.997 -2.286 -0.736) 2.601 4.620 ( -2.786 -1.654 2.122) 3.873 4.753 ( -4.844 -3.133 -2.964) 6.486 4.881 ( 3.492 1.722 -0.591) 3.938 4.995 ( 2.147 0.228 1.626) 2.703 5.147 ( 2.775 -1.141 -1.605) 3.403 5.186 ( -1.049 -2.482 -1.647) 3.158 5.257 ( 0.752 -2.648 7.133) 7.646 5.420 ( 0.176 -2.060 -3.152) 3.769 5.477 ( -3.150 -2.186 0.346) 3.850 5.620 ( 3.492 1.228 -5.475) 6.609 5.792 ( -3.242 -0.005 4.023) 5.166 5.914 ( 0.985 1.889 -2.719) 3.454 6.079 ( 5.217 -2.090 4.239) 7.039 6.412 ( -3.441 5.441 3.137) 7.161 6.439 ( 3.026 -2.168 -5.756) 6.854 6.648 ( -1.895 6.931 -0.227) 7.189 6.820 ( -3.161 8.911 3.399) 10.048 6.923 ( -1.489 4.251 -2.775) 5.290 7.104 ( 0.281 3.923 3.234) 5.091 7.221 ( 3.256 1.995 0.091) 3.820 7.289 ( -6.561 -1.807 0.066) 6.805 7.406 ( -3.326 4.240 -2.471) 5.928 7.885 ( -1.567 -0.755 -0.222) 1.753 8.043 ( -5.785 0.122 -4.254) 7.182 8.159 ( -4.730 -0.159 4.994) 6.880 8.288 ( 3.490 2.277 -7.781) 8.826 8.453 ( -0.236 0.531 9.535) 9.552 8.641 ( 1.106 2.058 -3.832) 4.488 9.073 ( 2.047 -2.083 2.801) 4.046 9.166 ( 4.133 -2.776 -4.559) 6.751 9.278 ( 7.051 -5.126 2.098) 8.967 9.524 ( -7.433 -3.734 3.776) 9.135 9.781 ( 4.321 5.184 2.560) 7.218 9.936 ( 4.830 6.825 -5.831) 10.193 10.478 ( 3.846 -1.225 1.284) 4.236 10.624 ( -3.986 -3.645 -0.483) 5.423 10.825 ( -0.738 2.135 1.826) 2.905 10.955 ( -1.373 -0.087 -3.310) 3.584 11.056 ( 3.060 1.866 -1.122) 3.756 11.189 ( -7.679 -0.043 1.340) 7.796 11.336 ( -0.383 6.755 4.563) 8.161 11.476 ( 3.821 6.080 -6.194) 9.483 11.676 ( 7.295 6.346 3.001) 10.124 11.766 ( 6.517 3.815 -0.462) 7.566 12.173 ( 1.686 0.715 -1.261) 2.224 12.254 ( -4.631 0.805 1.488) 4.930 12.709 ( 2.646 1.809 -0.701) 3.281 12.713 ( 0.704 3.031 0.553) 3.161 13.324 ( 0.632 -3.765 0.308) 3.830 13.396 ( -1.692 5.440 1.060) 5.794 13.471 ( 0.822 -4.252 1.267) 4.512 13.654 ( -3.509 -3.249 -2.990) 5.640 15.818 ( -2.309 -1.480 2.275) 3.563 15.909 ( -2.024 -0.744 -1.891) 2.868 17.473 ( 5.634 -1.839 -0.030) 5.927 17.706 ( -8.970 -4.365 0.212) 9.978 18.057 ( 6.626 2.750 -2.538) 7.610 18.193 ( -3.551 4.915 1.902) 6.355 18.504 ( 6.664 3.770 3.522) 8.427 18.830 ( -3.589 6.986 -5.891) 9.818 19.163 ( 4.245 4.443 3.755) 7.201 19.311 ( -0.308 7.209 -0.979) 7.282 19.637 ( 3.372 -5.228 0.199) 6.225 19.911 ( -12.106 -8.627 -0.093) 14.866 21.483 ( 12.195 7.114 0.599) 14.131 21.803 ( -6.705 4.601 -0.435) 8.143 22.035 ( 1.786 -3.888 -0.221) 4.285 22.094 ( -0.727 -3.961 -0.966) 4.142 22.379 ( -1.797 0.962 5.184) 5.571 22.546 ( 0.920 1.260 -7.242) 7.408 22.930 ( -0.106 -3.260 3.182) 4.556 22.975 ( -0.016 -1.547 0.861) 1.771 23.278 ( -2.136 -4.937 1.096) 5.490 23.323 ( -0.039 -5.883 -2.157) 6.267 ======================= Grid point 158 (64/102) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -2.650 3.702 7.569) 8.833 1.717 ( -3.067 14.305 0.467) 14.638 1.803 ( 2.081 4.529 -1.730) 5.276 1.908 ( -0.334 8.751 -6.796) 11.085 2.195 ( -2.256 7.163 2.412) 7.887 2.288 ( -0.266 4.949 -4.043) 6.396 2.447 ( 4.901 3.547 -0.287) 6.057 2.537 ( -5.351 2.974 -1.313) 6.261 2.687 ( -6.537 -1.538 5.293) 8.551 2.701 ( 3.959 -2.133 -1.951) 4.902 2.869 ( -0.358 6.312 5.936) 8.672 2.964 ( -1.069 3.753 -0.427) 3.926 3.111 ( 5.414 -2.749 -4.090) 7.321 3.147 ( -4.728 -2.610 -0.234) 5.406 3.243 ( 5.033 -3.249 -0.028) 5.991 3.305 ( -2.381 0.752 1.732) 3.039 3.338 ( 2.600 -2.915 -0.741) 3.976 3.384 ( -1.220 -0.851 -1.703) 2.261 3.581 ( -3.512 0.330 3.758) 5.154 3.651 ( 3.962 0.220 -4.136) 5.732 3.734 ( 0.888 -2.134 1.522) 2.767 3.792 ( 3.918 -1.421 -3.651) 5.541 3.936 ( 1.198 -0.910 1.860) 2.392 4.019 ( -5.227 -4.208 1.750) 6.935 4.060 ( -2.388 2.376 0.371) 3.390 4.112 ( 2.284 -1.522 -3.198) 4.215 4.350 ( -6.464 -1.953 5.216) 8.532 4.423 ( 3.504 -1.868 -5.469) 6.759 4.632 ( -2.258 -0.666 6.165) 6.599 4.775 ( -0.701 -2.566 -4.660) 5.365 4.873 ( 4.584 2.993 0.930) 5.553 4.978 ( -1.694 2.605 -0.443) 3.139 5.196 ( 3.256 -3.098 -1.443) 4.720 5.216 ( -2.317 -3.499 0.848) 4.281 5.326 ( 1.415 -0.343 4.402) 4.637 5.381 ( 2.895 1.714 -1.503) 3.685 5.544 ( -1.368 -2.786 -0.731) 3.189 5.623 ( -2.655 -2.704 -5.512) 6.689 5.750 ( -1.042 3.721 3.820) 5.434 5.858 ( -0.495 4.273 -4.533) 6.249 6.145 ( 3.057 0.262 8.694) 9.219 6.301 ( -1.904 3.590 -0.555) 4.101 6.449 ( 0.775 3.837 -1.065) 4.057 6.507 ( -2.431 4.171 0.368) 4.841 6.699 ( 4.044 4.454 -4.990) 7.816 6.746 ( -9.294 6.036 1.124) 11.139 7.040 ( -2.372 4.479 6.068) 7.907 7.206 ( 2.218 4.983 -5.752) 7.927 7.290 ( -2.361 -2.961 2.462) 4.517 7.373 ( -2.769 -4.346 -1.437) 5.350 7.894 ( -0.578 -1.015 0.939) 1.499 8.006 ( -2.478 -0.828 -4.507) 5.210 8.146 ( -4.071 -1.053 4.555) 6.199 8.259 ( 4.106 1.801 -7.372) 8.628 8.491 ( -3.423 -3.282 11.404) 12.350 8.674 ( 5.645 -2.561 -7.200) 9.501 9.116 ( -1.390 -2.310 5.432) 6.065 9.238 ( 3.465 -2.787 -5.790) 7.301 9.449 ( 7.028 -5.580 3.946) 9.803 9.557 ( -7.399 -4.304 5.749) 10.312 9.725 ( 2.594 3.775 -0.526) 4.610 9.847 ( 3.435 3.714 -7.667) 9.186 10.522 ( 4.649 1.077 2.710) 5.488 10.663 ( -4.510 -3.391 -0.918) 5.717 10.737 ( -1.968 6.326 2.253) 6.998 10.879 ( -2.513 3.678 -5.436) 7.028 11.040 ( 2.407 2.228 2.066) 3.876 11.125 ( -3.528 2.394 -0.506) 4.293 11.290 ( -1.279 -0.899 3.772) 4.083 11.398 ( 0.619 2.871 -4.438) 5.322 11.650 ( 3.662 2.006 3.601) 5.514 11.744 ( 2.581 2.271 -1.968) 3.961 12.197 ( 1.377 -1.613 0.234) 2.134 12.238 ( -1.969 -2.224 -0.280) 2.984 12.666 ( -0.989 2.415 1.845) 3.196 12.696 ( 1.844 1.335 -1.715) 2.850 13.305 ( -1.046 3.836 1.399) 4.215 13.337 ( 0.923 2.043 -2.298) 3.210 13.581 ( -0.271 -7.388 5.508) 9.220 13.741 ( -0.106 -7.438 -4.907) 8.911 15.831 ( -2.661 -1.060 3.945) 4.875 15.918 ( 0.577 -1.365 -3.568) 3.863 17.559 ( 8.203 -1.957 0.314) 8.439 17.724 ( -10.663 -5.624 -0.667) 12.074 18.025 ( 4.279 5.891 -0.816) 7.327 18.062 ( -1.362 7.682 0.468) 7.816 18.545 ( 3.705 -3.356 4.209) 6.536 18.709 ( -4.114 0.715 -3.859) 5.686 19.138 ( 4.409 2.385 -0.029) 5.013 19.212 ( -4.576 1.170 0.099) 4.724 19.814 ( 8.429 -8.350 0.991) 11.906 19.987 ( -10.171 -9.130 -0.790) 13.691 21.433 ( 10.965 8.097 0.932) 13.663 21.621 ( -9.346 7.903 -1.357) 12.314 22.124 ( 0.718 -3.346 0.664) 3.486 22.140 ( 0.137 -1.246 -0.312) 1.292 22.345 ( -2.305 2.140 5.615) 6.436 22.511 ( 2.556 1.785 -9.035) 9.557 22.941 ( -2.158 0.849 6.580) 6.976 23.035 ( 1.733 -3.197 -2.518) 4.423 23.345 ( -0.635 -3.212 2.881) 4.361 23.427 ( 1.696 -5.099 -3.484) 6.404 ======================= Grid point 159 (65/102) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -2.619 18.240 4.464) 18.961 1.411 ( -0.747 15.548 3.606) 15.978 1.663 ( 1.914 9.933 0.674) 10.138 1.769 ( -1.210 7.161 -7.136) 10.181 2.060 ( -0.837 7.542 3.202) 8.236 2.259 ( 5.410 2.900 -10.468) 12.135 2.360 ( -1.074 9.929 2.677) 10.340 2.373 ( 1.407 3.470 -0.319) 3.758 2.609 ( -5.848 9.610 9.838) 14.944 2.738 ( 0.406 0.594 -1.244) 1.437 2.833 ( 2.548 -0.312 0.666) 2.652 2.903 ( 1.379 4.349 -4.822) 6.638 3.111 ( -2.911 2.248 2.057) 4.214 3.133 ( -0.942 2.218 -1.007) 2.612 3.291 ( 1.995 -4.476 0.880) 4.978 3.347 ( 0.213 0.033 -2.797) 2.805 3.378 ( 0.697 -1.950 0.436) 2.116 3.393 ( 0.373 -1.023 -1.305) 1.699 3.567 ( -0.962 0.998 2.256) 2.648 3.652 ( 2.603 1.199 -5.083) 5.835 3.780 ( -2.605 -4.078 2.700) 5.541 3.835 ( 0.020 -1.608 -2.554) 3.018 3.980 ( 4.081 -1.474 2.699) 5.109 4.011 ( -1.042 0.888 1.531) 2.054 4.089 ( -4.106 -6.648 2.092) 8.089 4.162 ( 2.929 -2.040 -1.295) 3.797 4.353 ( -7.109 -3.624 2.544) 8.376 4.462 ( 3.916 -0.700 -5.055) 6.432 4.640 ( -0.496 -0.055 7.020) 7.037 4.801 ( 2.710 0.825 -6.754) 7.324 4.834 ( 0.436 2.939 2.513) 3.892 4.902 ( 0.841 2.869 -3.046) 4.267 5.257 ( -3.410 -2.734 2.825) 5.204 5.301 ( 3.294 -3.237 -0.880) 4.701 5.321 ( -1.682 -1.537 1.928) 2.985 5.409 ( 5.483 0.012 -5.080) 7.474 5.521 ( -9.292 4.932 4.406) 11.405 5.613 ( 4.369 0.294 -2.585) 5.085 5.700 ( -0.923 1.656 1.454) 2.390 5.772 ( 0.056 1.089 -4.992) 5.110 6.158 ( 2.022 2.375 6.650) 7.345 6.240 ( 2.233 4.086 -2.317) 5.201 6.370 ( -0.418 4.719 4.079) 6.251 6.389 ( -8.110 4.236 3.513) 9.801 6.653 ( 7.122 -0.062 -2.339) 7.496 6.739 ( -0.738 -4.656 -8.565) 9.777 6.948 ( -3.375 3.927 7.151) 8.829 7.103 ( 2.286 4.684 -6.013) 7.957 7.355 ( -2.253 -4.002 5.134) 6.888 7.451 ( 1.406 -4.742 -3.216) 5.900 7.914 ( -0.740 -1.276 3.120) 3.451 8.019 ( 1.450 -2.166 -6.096) 6.630 8.161 ( -2.813 -1.827 2.752) 4.338 8.241 ( 3.111 1.541 -3.720) 5.088 8.565 ( -3.803 -5.280 9.268) 11.324 8.746 ( 3.553 -3.281 -6.501) 8.103 9.152 ( -2.304 -1.478 5.536) 6.176 9.279 ( 1.507 -0.465 -4.875) 5.124 9.568 ( -2.381 -2.100 4.167) 5.238 9.593 ( -0.635 -4.466 7.786) 8.999 9.689 ( 1.127 1.115 -2.518) 2.976 9.841 ( 2.003 -1.813 -8.588) 9.003 10.494 ( 0.191 4.718 3.197) 5.702 10.554 ( -1.685 7.456 -1.754) 7.843 10.729 ( 1.059 -1.617 2.455) 3.125 10.808 ( -1.489 1.169 -4.320) 4.717 11.040 ( 0.293 -0.149 2.120) 2.145 11.090 ( 2.852 -0.591 -2.468) 3.818 11.309 ( -2.929 -1.126 3.654) 4.817 11.375 ( 1.183 -0.305 -1.968) 2.316 11.653 ( -1.674 0.218 2.559) 3.065 11.714 ( 1.661 1.566 -2.496) 3.382 12.246 ( -1.017 -4.131 2.019) 4.709 12.304 ( 1.970 -4.574 -3.004) 5.816 12.620 ( -1.921 2.075 2.993) 4.117 12.678 ( 1.077 1.463 -2.035) 2.728 13.246 ( -0.716 2.398 1.735) 3.046 13.296 ( 0.883 2.250 -2.475) 3.460 13.736 ( -0.761 -8.424 5.855) 10.287 13.870 ( 0.751 -7.609 -5.390) 9.355 15.832 ( -2.838 -0.370 4.942) 5.711 15.947 ( 2.754 -1.566 -4.615) 5.598 17.646 ( 5.012 0.278 3.412) 6.070 17.739 ( -7.938 -4.511 -4.220) 10.058 17.885 ( -2.265 8.722 2.405) 9.327 17.945 ( 5.809 6.029 -2.125) 8.638 18.681 ( -6.245 -10.323 3.562) 12.580 18.757 ( 5.622 -6.942 -2.736) 9.342 19.150 ( 4.316 -0.158 1.667) 4.630 19.199 ( -4.564 -3.574 -2.318) 6.243 20.029 ( 0.361 -9.347 3.082) 9.848 20.102 ( -0.152 -10.107 -3.055) 10.560 21.351 ( 2.038 8.659 1.466) 9.016 21.389 ( -2.002 10.998 -1.569) 11.288 22.128 ( -1.459 3.185 1.150) 3.687 22.133 ( 0.453 2.382 0.483) 2.472 22.325 ( -1.144 -0.618 4.256) 4.450 22.481 ( 3.554 1.921 -9.348) 10.184 22.928 ( -2.700 0.162 8.638) 9.051 23.079 ( 1.179 -1.314 -4.864) 5.175 23.389 ( -0.731 -1.098 4.583) 4.769 23.502 ( 0.773 -2.878 -4.783) 5.635 ======================= Grid point 160 (66/102) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 3.256 12.242 -1.293) 12.733 1.103 ( 4.206 18.708 0.943) 19.198 1.484 ( 4.105 13.414 1.429) 14.101 1.579 ( 4.887 12.504 -7.872) 15.563 1.929 ( -0.557 8.814 8.449) 12.222 2.070 ( 1.812 18.845 -1.594) 18.999 2.219 ( -0.369 8.583 5.616) 10.263 2.260 ( 2.396 10.603 6.934) 12.894 2.567 ( 3.313 -7.695 -5.670) 10.117 2.674 ( 1.563 5.411 -5.845) 8.117 2.779 ( 0.730 8.018 -5.636) 9.828 2.849 ( 5.530 2.514 -1.652) 6.296 3.041 ( -0.980 3.553 4.445) 5.775 3.100 ( 0.880 1.790 1.213) 2.334 3.307 ( -6.029 0.558 1.019) 6.140 3.390 ( -2.174 -0.161 -0.465) 2.229 3.398 ( 1.023 -1.285 0.862) 1.855 3.430 ( 3.920 -3.063 -0.851) 5.047 3.528 ( -3.935 -0.638 1.190) 4.160 3.648 ( 0.679 -0.130 -4.729) 4.779 3.830 ( -2.440 0.028 -1.525) 2.878 3.842 ( -0.392 -2.970 1.464) 3.334 3.994 ( -3.597 -0.844 -1.241) 3.898 4.069 ( 5.563 -3.092 0.143) 6.366 4.152 ( -6.460 -2.600 1.548) 7.134 4.249 ( 3.814 -3.941 4.153) 6.879 4.386 ( -7.591 -5.920 -0.482) 9.639 4.495 ( 5.349 -0.675 1.369) 5.563 4.672 ( 1.463 -1.992 3.837) 4.563 4.738 ( -0.235 2.239 -1.731) 2.840 4.824 ( 0.467 0.557 -2.513) 2.616 4.915 ( 6.168 -1.541 -4.589) 7.841 5.229 ( -6.039 4.423 -0.227) 7.489 5.285 ( -2.307 3.179 2.432) 4.620 5.351 ( -9.068 -1.182 2.911) 9.597 5.393 ( -0.397 -3.037 -1.067) 3.244 5.474 ( 3.169 -1.283 -0.412) 3.444 5.560 ( 1.404 5.356 -2.527) 6.086 5.754 ( 2.828 -3.563 0.649) 4.595 5.783 ( 3.999 0.134 -1.087) 4.146 6.113 ( 0.513 4.190 0.047) 4.222 6.147 ( 6.362 6.897 -0.303) 9.388 6.311 ( -3.164 2.294 1.864) 4.330 6.345 ( 2.760 -0.994 3.717) 4.735 6.708 ( -7.219 -3.170 -5.779) 9.776 6.799 ( 9.099 0.911 2.823) 9.570 6.939 ( 5.496 -3.937 0.582) 6.786 7.082 ( 4.795 -0.504 -3.844) 6.166 7.411 ( -0.218 -2.058 4.009) 4.511 7.525 ( 2.917 -1.746 -3.668) 5.001 7.943 ( 2.446 -0.204 3.626) 4.378 8.074 ( 4.688 -1.757 -6.699) 8.363 8.148 ( -4.409 -1.453 2.250) 5.159 8.267 ( 4.309 -1.615 -2.377) 5.179 8.646 ( -6.572 -5.112 8.369) 11.805 8.830 ( 0.804 -5.927 -4.424) 7.439 9.157 ( -2.480 -0.323 4.313) 4.986 9.248 ( -0.236 3.055 -2.074) 3.700 9.579 ( -3.881 -0.135 4.143) 5.678 9.649 ( -4.077 -1.975 7.753) 8.980 9.726 ( 6.395 -2.227 -2.213) 7.124 9.859 ( -0.777 -1.494 -7.178) 7.372 10.408 ( -4.555 1.224 -0.454) 4.738 10.490 ( 6.288 0.866 -0.116) 6.348 10.735 ( -0.418 0.943 0.563) 1.175 10.813 ( 3.336 -1.185 -4.026) 5.361 11.038 ( -5.788 -1.830 1.630) 6.286 11.157 ( 3.601 -0.680 1.687) 4.034 11.318 ( 0.431 -1.331 2.182) 2.592 11.401 ( 2.135 -1.638 -1.094) 2.905 11.622 ( -3.354 0.253 -0.489) 3.399 11.716 ( 5.706 1.326 -0.505) 5.880 12.354 ( 1.769 -7.330 1.513) 7.691 12.390 ( 0.200 -4.214 -3.304) 5.358 12.584 ( -1.808 0.670 3.076) 3.630 12.648 ( 0.391 1.995 -1.722) 2.664 13.214 ( -0.936 1.011 1.891) 2.340 13.263 ( 0.161 1.364 -1.910) 2.353 13.886 ( -1.393 -7.680 4.332) 8.927 13.993 ( -0.076 -6.697 -4.674) 8.167 15.824 ( -2.086 0.409 5.138) 5.561 16.003 ( 5.775 -2.729 -4.512) 7.820 17.585 ( -6.952 4.982 2.668) 8.959 17.700 ( 2.071 6.105 -3.661) 7.413 17.729 ( -9.064 4.266 3.073) 10.478 18.016 ( 17.820 -4.083 -2.408) 18.440 18.843 ( -8.905 -14.475 0.118) 16.996 18.975 ( 6.768 -9.877 0.809) 12.001 19.216 ( -1.325 -6.064 0.347) 6.217 19.274 ( 4.196 -5.819 -1.417) 7.313 20.171 ( -7.418 -10.684 1.748) 13.123 20.299 ( 2.783 -7.615 -2.393) 8.454 21.103 ( -8.085 10.855 -0.037) 13.535 21.252 ( 11.749 12.793 0.859) 17.391 22.024 ( -2.539 5.567 0.327) 6.127 22.071 ( 2.983 5.942 1.122) 6.743 22.343 ( -1.528 -0.929 2.087) 2.748 22.455 ( 3.147 1.767 -5.943) 6.953 22.931 ( -3.166 -0.587 8.063) 8.682 23.078 ( -0.446 0.401 -5.619) 5.651 23.383 ( -2.521 1.945 5.568) 6.414 23.503 ( -3.150 1.010 -6.465) 7.262 ======================= Grid point 165 (67/102) ======================= q-point: ( 0.27 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 12.294 0.000 10.103) 15.913 1.171 ( 14.972 0.000 4.512) 15.637 1.310 ( 19.658 0.000 -5.968) 20.544 1.452 ( 22.291 0.000 -7.347) 23.471 2.118 ( 25.847 0.000 -2.807) 25.999 2.124 ( 12.894 0.000 1.246) 12.954 2.310 ( 18.632 0.000 -6.210) 19.640 2.423 ( -0.858 -0.000 6.192) 6.251 2.579 ( -2.632 -0.000 3.296) 4.218 2.591 ( -11.751 -0.000 6.205) 13.288 2.685 ( 9.171 0.000 -5.879) 10.893 2.760 ( -3.462 -0.000 -0.534) 3.503 2.954 ( 1.041 0.000 -0.267) 1.075 3.080 ( 7.017 0.000 -2.347) 7.399 3.151 ( -2.618 -0.000 -4.441) 5.155 3.289 ( -4.896 -0.000 3.653) 6.109 3.474 ( 3.140 0.000 1.335) 3.411 3.506 ( -1.403 -0.000 -5.153) 5.340 3.599 ( -2.670 -0.000 -5.142) 5.794 3.656 ( -0.946 -0.000 10.332) 10.375 3.730 ( -3.762 -0.000 4.589) 5.934 3.784 ( 4.036 0.000 -6.141) 7.349 3.934 ( -0.688 -0.000 -4.893) 4.941 3.991 ( 0.981 0.000 5.809) 5.892 4.327 ( -9.455 -0.000 0.167) 9.456 4.371 ( 1.158 0.000 3.460) 3.649 4.490 ( -1.856 -0.000 1.514) 2.395 4.559 ( -7.140 -0.000 -1.954) 7.403 4.591 ( -4.195 -0.000 -1.060) 4.327 4.800 ( -3.997 -0.000 -2.068) 4.501 4.924 ( 0.915 0.000 -2.610) 2.766 4.936 ( -8.294 -0.000 1.431) 8.416 4.999 ( -3.726 -0.000 3.995) 5.463 5.089 ( 3.886 0.000 -6.573) 7.635 5.145 ( -6.665 -0.000 0.799) 6.713 5.202 ( 0.928 0.000 -2.391) 2.565 5.279 ( -6.600 -0.000 3.136) 7.307 5.398 ( 4.431 0.000 2.143) 4.922 5.644 ( -10.405 -0.000 8.746) 13.592 5.830 ( -0.144 -0.000 -9.611) 9.612 6.133 ( -1.192 -0.000 7.478) 7.573 6.134 ( 9.502 0.000 -4.925) 10.703 6.382 ( -6.082 -0.000 3.488) 7.011 6.497 ( -1.241 -0.000 -4.218) 4.396 6.881 ( 4.362 0.000 -2.987) 5.287 6.976 ( 11.096 0.000 3.403) 11.606 7.245 ( 5.438 0.000 -2.165) 5.854 7.309 ( -3.702 -0.000 3.180) 4.881 7.556 ( 4.642 0.000 1.851) 4.998 7.843 ( 4.503 0.000 -8.613) 9.719 8.096 ( -1.749 -0.000 -2.630) 3.158 8.184 ( 10.663 0.000 -1.669) 10.792 8.287 ( -3.836 -0.000 5.379) 6.607 8.591 ( -8.481 -0.000 -0.624) 8.504 8.681 ( 0.158 0.000 -8.183) 8.185 8.777 ( -16.389 -0.000 10.293) 19.354 9.091 ( 4.825 0.000 -3.417) 5.913 9.348 ( -5.004 -0.000 5.569) 7.487 9.529 ( 3.203 0.000 2.923) 4.336 10.006 ( 12.766 0.000 -7.093) 14.604 10.035 ( 9.691 0.000 -6.744) 11.807 10.197 ( -16.339 -0.000 6.368) 17.536 10.361 ( 1.281 0.000 -8.876) 8.968 10.435 ( 1.324 0.000 6.110) 6.252 10.799 ( -2.361 -0.000 4.580) 5.153 10.802 ( 5.289 0.000 -2.872) 6.018 11.181 ( 7.764 0.000 2.262) 8.086 11.306 ( 6.912 0.000 0.042) 6.912 11.333 ( 9.152 0.000 0.828) 9.189 11.618 ( 5.750 0.000 3.880) 6.937 11.866 ( -6.172 -0.000 -4.780) 7.807 11.871 ( 7.281 0.000 3.724) 8.178 12.316 ( -5.374 -0.000 2.123) 5.778 12.381 ( -1.939 -0.000 -2.438) 3.115 13.031 ( -1.660 -0.000 -0.690) 1.798 13.073 ( -1.599 -0.000 0.320) 1.631 13.436 ( 13.754 0.000 5.189) 14.700 13.450 ( 9.296 0.000 -3.660) 9.991 13.963 ( -3.715 -0.000 0.561) 3.757 13.972 ( -5.192 -0.000 -1.199) 5.328 15.808 ( -5.240 -0.000 0.809) 5.302 16.204 ( -20.820 -0.000 2.585) 20.980 17.524 ( 11.095 0.000 4.995) 12.168 17.525 ( 7.925 0.000 -3.401) 8.624 18.249 ( 8.390 0.000 6.149) 10.402 18.256 ( 8.458 0.000 -5.543) 10.113 18.871 ( -11.536 -0.000 -4.004) 12.211 18.918 ( -13.537 -0.000 2.546) 13.774 19.790 ( 1.626 0.000 1.574) 2.263 20.023 ( -3.917 -0.000 -0.644) 3.969 20.557 ( -2.193 -0.000 7.447) 7.763 20.649 ( 11.955 0.000 -15.851) 19.854 20.843 ( 5.565 0.000 7.521) 9.356 21.115 ( 13.956 0.000 -10.266) 17.325 21.931 ( 0.635 0.000 5.544) 5.580 22.023 ( 5.956 0.000 -3.182) 6.753 22.243 ( -9.644 -0.000 11.178) 14.763 22.438 ( 0.886 0.000 -0.087) 0.890 22.438 ( 2.037 0.000 4.238) 4.702 22.690 ( -5.447 -0.000 -5.881) 8.016 22.971 ( -5.895 -0.000 -0.080) 5.896 23.008 ( -4.735 -0.000 -0.393) 4.752 ======================= Grid point 166 (68/102) ======================= q-point: ( 0.36 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 14.366 -4.959 1.386) 15.261 1.404 ( 10.213 -8.889 3.538) 13.994 1.439 ( 13.906 -1.826 0.232) 14.027 1.626 ( 18.699 -2.523 -6.303) 19.894 2.138 ( 5.857 3.260 3.434) 7.531 2.264 ( -5.742 7.623 4.114) 10.393 2.331 ( 18.706 -3.343 -7.510) 20.433 2.444 ( 7.230 -1.940 0.936) 7.544 2.608 ( -0.992 -7.139 2.336) 7.577 2.671 ( -4.816 -5.622 1.815) 7.622 2.755 ( -1.236 -2.666 2.046) 3.580 2.801 ( 9.226 -5.103 -6.471) 12.371 2.974 ( 4.457 -0.690 -2.637) 5.225 3.102 ( 3.479 1.094 -2.118) 4.217 3.166 ( -0.551 -2.381 0.031) 2.444 3.263 ( -1.943 0.596 4.319) 4.773 3.427 ( -2.386 3.245 -1.534) 4.310 3.486 ( 0.008 1.966 0.768) 2.111 3.602 ( -0.301 -3.207 -3.699) 4.905 3.625 ( -2.746 5.261 4.292) 7.324 3.718 ( -5.161 -0.054 2.250) 5.630 3.794 ( 5.392 0.057 -3.382) 6.365 3.899 ( 0.473 4.124 -1.544) 4.429 3.986 ( -0.422 -0.284 4.233) 4.263 4.199 ( -0.570 6.856 -1.231) 6.989 4.353 ( -4.700 3.816 2.095) 6.406 4.458 ( -4.463 2.327 -1.392) 5.222 4.546 ( -2.047 -3.228 0.985) 3.948 4.598 ( -1.878 -2.352 0.990) 3.169 4.732 ( 1.131 2.341 -2.134) 3.364 4.810 ( -7.061 -0.165 -2.820) 7.605 4.931 ( -6.346 2.505 2.861) 7.399 5.006 ( -7.684 -1.479 -0.093) 7.826 5.093 ( -3.440 0.307 -1.088) 3.620 5.182 ( -3.077 -0.620 -0.599) 3.196 5.207 ( 0.890 -9.208 -3.438) 9.869 5.286 ( -2.666 0.047 2.061) 3.370 5.413 ( 6.092 -0.404 3.144) 6.867 5.580 ( -7.124 -0.896 4.543) 8.497 5.902 ( -0.350 -6.888 -6.855) 9.725 6.051 ( 4.314 5.753 1.311) 7.309 6.243 ( -0.097 -2.530 3.357) 4.205 6.387 ( -0.282 -3.543 -0.126) 3.556 6.492 ( 1.051 -1.448 -1.344) 2.238 6.906 ( 5.270 0.583 -2.608) 5.909 7.057 ( 9.146 0.388 3.011) 9.637 7.212 ( 1.157 3.135 0.414) 3.367 7.362 ( -2.537 -4.587 1.295) 5.399 7.582 ( 2.844 0.497 -0.338) 2.907 7.848 ( 1.526 0.899 -8.257) 8.445 8.064 ( -3.772 0.867 -0.796) 3.951 8.233 ( 5.554 1.339 1.386) 5.879 8.299 ( 2.231 -0.530 0.132) 2.297 8.481 ( -8.369 4.833 1.458) 9.773 8.622 ( -10.584 3.820 2.256) 11.476 8.660 ( -1.975 0.999 -1.089) 2.467 9.122 ( 1.492 0.277 -2.568) 2.983 9.301 ( -7.593 1.410 4.534) 8.955 9.535 ( 4.830 2.979 -0.468) 5.694 9.927 ( -3.876 9.926 3.610) 11.251 10.066 ( 3.283 0.798 -2.661) 4.301 10.095 ( 2.140 3.251 -1.487) 4.166 10.409 ( -0.705 -2.467 -2.731) 3.747 10.466 ( 5.893 -0.009 0.014) 5.893 10.743 ( 4.312 3.682 0.179) 5.673 10.849 ( 1.560 -0.049 1.194) 1.965 11.184 ( 6.781 5.225 0.464) 8.573 11.307 ( 7.980 2.058 2.441) 8.595 11.509 ( 7.948 -6.558 0.111) 10.305 11.722 ( 6.814 -3.870 0.826) 7.880 11.815 ( -4.313 -1.016 -3.297) 5.523 11.891 ( 4.061 3.179 2.246) 5.625 12.283 ( -2.908 0.631 0.897) 3.108 12.379 ( -1.090 -1.164 -0.980) 1.872 13.016 ( -1.618 -0.407 0.107) 1.671 13.085 ( -1.856 -2.742 -0.146) 3.315 13.348 ( 9.426 13.360 0.459) 16.357 13.473 ( 12.140 11.038 0.691) 16.423 13.863 ( -7.039 2.961 -0.849) 7.684 13.941 ( -5.039 2.743 -0.232) 5.742 15.772 ( -6.354 -0.800 1.171) 6.510 16.055 ( -17.141 0.596 0.161) 17.152 17.467 ( 9.941 8.030 -0.065) 12.779 17.642 ( 5.472 -1.364 0.665) 5.679 18.073 ( 14.553 7.849 -0.327) 16.538 18.564 ( 0.257 -6.490 2.348) 6.907 18.768 ( -7.999 1.059 -2.054) 8.326 18.955 ( -14.843 -13.743 0.574) 20.236 19.692 ( -0.275 10.910 2.407) 11.176 19.843 ( -3.248 12.390 -0.834) 12.836 20.286 ( 4.885 23.670 0.735) 24.180 20.560 ( 5.787 13.322 -6.856) 16.061 21.089 ( 3.150 -15.485 7.433) 17.463 21.288 ( 11.221 -8.441 -9.301) 16.843 21.955 ( 2.604 -1.271 4.777) 5.587 22.091 ( 3.871 -3.063 0.989) 5.035 22.293 ( -4.209 -4.939 0.421) 6.503 22.390 ( -1.417 1.435 -0.012) 2.017 22.532 ( 0.439 -7.013 2.320) 7.400 22.724 ( -4.352 -6.460 -0.815) 7.832 22.921 ( -6.264 0.455 0.205) 6.284 23.014 ( -5.239 -4.671 -1.293) 7.137 ======================= Grid point 167 (69/102) ======================= q-point: ( 0.45 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 7.963 -0.043 0.339) 7.970 1.542 ( 12.754 -5.973 0.093) 14.084 1.668 ( 2.217 -7.799 0.710) 8.139 1.763 ( 6.834 -5.454 -0.942) 8.794 2.138 ( 1.471 2.275 0.735) 2.807 2.184 ( 4.156 -2.946 1.450) 5.297 2.435 ( 5.077 0.028 -3.141) 5.970 2.599 ( 6.930 -7.485 -1.671) 10.337 2.687 ( -2.812 -2.196 0.937) 3.689 2.725 ( -9.230 -5.143 0.923) 10.606 2.787 ( 3.680 -1.777 -1.071) 4.225 2.987 ( 10.464 -5.571 -3.631) 12.398 3.030 ( 2.882 -2.149 -0.824) 3.688 3.112 ( 4.534 1.002 0.261) 4.651 3.167 ( -2.535 -0.140 4.220) 4.925 3.258 ( -1.449 0.183 1.468) 2.071 3.365 ( 0.911 1.919 0.246) 2.138 3.448 ( -6.931 3.933 2.822) 8.454 3.493 ( 2.808 2.528 -0.262) 3.788 3.656 ( -4.636 -0.396 -1.757) 4.974 3.683 ( 0.240 -2.165 -1.203) 2.488 3.768 ( -3.389 6.737 0.082) 7.541 3.856 ( 6.127 -1.037 -0.462) 6.231 4.039 ( 4.891 -0.986 2.741) 5.692 4.077 ( 0.386 5.683 -2.529) 6.233 4.225 ( -6.292 5.052 0.321) 8.076 4.375 ( -3.388 3.638 -0.811) 5.037 4.570 ( -2.118 1.456 0.984) 2.752 4.602 ( -1.140 -3.119 -1.293) 3.564 4.703 ( -7.233 2.996 -0.025) 7.829 4.797 ( -4.436 -3.614 -0.849) 5.785 4.900 ( 2.964 -2.612 -2.433) 4.639 4.956 ( -4.862 -0.376 3.131) 5.795 5.063 ( -5.916 -1.273 0.265) 6.057 5.157 ( 2.081 3.875 -0.544) 4.432 5.258 ( -7.873 -4.043 1.932) 9.059 5.358 ( -0.845 -7.648 0.196) 7.697 5.548 ( 8.734 -5.297 -2.747) 10.578 5.596 ( -3.750 -3.926 4.410) 6.995 5.949 ( -1.755 -0.934 -3.235) 3.797 6.033 ( 4.552 1.178 0.410) 4.720 6.269 ( -2.041 -2.334 -0.584) 3.155 6.459 ( 1.230 -3.016 5.518) 6.407 6.589 ( 6.610 -5.714 -3.578) 9.441 6.920 ( 4.180 1.434 -1.889) 4.806 7.107 ( 6.792 2.047 2.441) 7.502 7.170 ( 0.053 1.664 0.572) 1.760 7.416 ( -3.108 -3.536 0.050) 4.708 7.569 ( -0.874 2.210 0.833) 2.518 7.759 ( -0.955 7.667 -6.325) 9.985 8.006 ( -2.994 2.818 1.066) 4.247 8.232 ( -0.044 2.181 4.619) 5.108 8.285 ( -0.491 4.493 -5.992) 7.505 8.339 ( -2.941 3.640 0.251) 4.686 8.520 ( -4.481 0.392 0.596) 4.537 8.662 ( -1.914 -2.684 0.859) 3.406 9.095 ( 1.609 2.547 -2.669) 4.025 9.210 ( -9.111 2.424 4.162) 10.305 9.468 ( 4.989 8.844 -1.463) 10.259 9.727 ( -5.889 8.312 1.797) 10.344 9.978 ( -1.266 5.163 8.509) 10.033 10.141 ( 12.667 1.377 -8.870) 15.525 10.412 ( -3.228 -0.301 3.780) 4.980 10.506 ( 1.820 -1.181 -3.650) 4.247 10.758 ( 7.887 -0.497 -2.349) 8.244 10.856 ( 1.936 0.627 1.956) 2.823 11.144 ( 5.797 4.207 -0.402) 7.174 11.302 ( 1.044 3.097 1.760) 3.712 11.664 ( 7.222 -2.894 -1.098) 7.858 11.762 ( 2.603 0.601 0.475) 2.713 11.827 ( 3.318 4.254 -0.744) 5.446 11.900 ( 5.751 -2.430 1.268) 6.371 12.255 ( -0.967 1.034 -0.280) 1.443 12.383 ( -2.404 -0.256 0.252) 2.430 13.026 ( 2.336 0.791 0.887) 2.621 13.132 ( -1.664 0.387 -0.246) 1.726 13.166 ( 5.598 6.779 0.066) 8.792 13.267 ( 9.455 18.922 -0.410) 21.157 13.756 ( -7.383 3.789 0.380) 8.307 13.819 ( -5.581 4.748 -1.233) 7.430 15.753 ( -4.971 -1.670 0.821) 5.308 15.941 ( -11.843 -0.072 -0.328) 11.848 17.422 ( 8.490 4.212 -0.139) 9.479 17.668 ( -0.416 0.397 0.306) 0.651 18.111 ( 15.580 2.663 -0.077) 15.806 18.550 ( -4.025 4.573 1.605) 6.300 18.709 ( -2.022 1.048 -1.038) 2.502 19.079 ( -12.471 -8.331 -1.568) 15.079 19.508 ( -2.176 6.490 4.776) 8.347 19.620 ( -3.694 7.974 -2.204) 9.061 19.899 ( 7.927 23.416 2.087) 24.809 20.286 ( 3.227 18.683 -4.842) 19.568 21.392 ( 0.781 -14.112 6.908) 15.732 21.495 ( 10.217 -7.204 -7.259) 14.456 21.988 ( 4.581 1.627 0.758) 4.920 22.209 ( 1.416 -4.867 5.622) 7.570 22.259 ( -2.137 2.560 -1.993) 3.885 22.422 ( -1.228 -4.698 -5.021) 6.985 22.680 ( -0.302 -7.920 0.404) 7.936 22.827 ( -5.690 -9.091 3.832) 11.389 22.871 ( -4.992 0.035 0.559) 5.023 23.071 ( -5.566 -6.032 -2.131) 8.480 ======================= Grid point 168 (70/102) ======================= q-point: ( 0.55 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.086 -2.266 4.757) 5.380 1.664 ( 4.006 1.179 -5.441) 6.859 1.801 ( 7.141 -8.729 -1.329) 11.356 1.970 ( -1.826 -11.742 -0.182) 11.885 2.161 ( 2.678 -1.833 4.769) 5.769 2.291 ( 2.689 -4.060 -2.006) 5.267 2.476 ( 4.841 -2.117 -2.469) 5.832 2.642 ( -7.163 -0.346 1.574) 7.342 2.698 ( -2.623 1.018 -0.851) 2.940 2.767 ( 0.202 -4.109 -3.064) 5.130 2.850 ( 4.813 1.918 1.389) 5.364 2.960 ( -1.843 3.095 4.767) 5.975 3.138 ( 1.089 0.441 0.058) 1.176 3.160 ( 7.453 -3.672 -4.316) 9.363 3.231 ( 4.581 -3.894 -1.286) 6.148 3.250 ( -1.644 -1.231 0.267) 2.071 3.339 ( 0.208 4.164 4.755) 6.324 3.367 ( 0.578 -0.369 0.857) 1.097 3.501 ( -1.145 -0.863 0.780) 1.632 3.616 ( -4.748 1.229 -3.460) 6.002 3.667 ( -1.841 -1.086 0.624) 2.226 3.715 ( 1.559 0.523 -1.666) 2.341 3.895 ( 0.749 0.873 3.479) 3.664 3.946 ( 0.919 5.117 -1.552) 5.426 4.094 ( -3.161 3.260 -1.906) 4.925 4.145 ( 1.209 -3.612 -0.082) 3.809 4.279 ( -2.455 2.985 0.548) 3.904 4.507 ( -7.313 6.223 3.238) 10.133 4.579 ( -1.946 0.170 -2.889) 3.488 4.631 ( -4.736 -2.680 -1.248) 5.583 4.872 ( 0.219 -3.942 -0.046) 3.949 4.976 ( 3.236 -1.872 0.158) 3.742 5.003 ( 2.584 -5.306 2.039) 6.244 5.078 ( -4.497 -5.100 0.301) 6.806 5.123 ( 1.273 -0.049 0.332) 1.317 5.275 ( -6.136 -2.481 -0.837) 6.671 5.465 ( 0.225 -4.091 0.624) 4.144 5.660 ( 4.158 -2.226 -6.836) 8.305 5.671 ( -0.606 -4.333 6.566) 7.890 5.947 ( -2.624 -1.136 -3.575) 4.578 6.040 ( 5.604 1.542 4.145) 7.139 6.302 ( -1.877 -3.310 -4.551) 5.932 6.539 ( 2.705 -1.687 8.715) 9.280 6.720 ( 4.924 -3.694 -4.384) 7.557 6.915 ( 2.683 0.881 -1.534) 3.214 7.054 ( -1.002 4.907 -2.167) 5.457 7.193 ( 4.760 -0.224 5.381) 7.188 7.430 ( -2.779 0.966 -3.254) 4.387 7.479 ( -5.072 5.791 3.728) 8.553 7.563 ( -0.677 10.237 -3.049) 10.702 7.926 ( -1.065 3.983 0.828) 4.205 8.132 ( -6.620 5.521 -5.740) 10.356 8.185 ( -2.014 2.434 5.002) 5.916 8.305 ( 2.297 0.948 -3.711) 4.466 8.534 ( 1.261 -1.194 0.422) 1.787 8.699 ( -5.661 -2.816 1.397) 6.475 9.068 ( 5.935 2.455 -3.220) 7.185 9.119 ( -6.984 1.084 3.840) 8.043 9.324 ( 4.296 8.932 1.665) 10.050 9.553 ( -4.782 6.290 -2.217) 8.206 9.931 ( 1.514 2.976 9.496) 10.066 10.157 ( 8.918 4.178 -8.091) 12.746 10.415 ( -1.393 -1.518 3.621) 4.167 10.524 ( -1.338 -1.743 -3.112) 3.810 10.846 ( 6.922 -2.990 -2.721) 8.016 10.865 ( 1.622 0.425 2.052) 2.650 11.115 ( 3.479 2.762 -0.862) 4.525 11.233 ( -4.547 2.941 0.559) 5.444 11.641 ( 1.903 7.025 2.155) 7.590 11.742 ( 2.687 6.362 -2.087) 7.215 11.840 ( 8.382 -0.944 1.713) 8.607 11.949 ( 6.762 3.308 -0.861) 7.577 12.229 ( 0.741 1.565 -0.868) 1.936 12.340 ( -4.990 2.270 0.909) 5.557 12.912 ( 6.768 11.862 0.146) 13.658 12.990 ( 2.960 14.793 -0.174) 15.088 13.132 ( -0.870 -4.661 2.035) 5.160 13.252 ( 0.868 -6.495 -1.906) 6.824 13.616 ( -4.689 6.116 1.455) 7.843 13.706 ( -4.889 3.436 -2.135) 6.345 15.761 ( -2.417 -1.919 0.853) 3.202 15.880 ( -7.220 -0.993 -0.467) 7.303 17.435 ( 6.854 0.898 -0.053) 6.912 17.637 ( -5.221 0.313 0.079) 5.230 18.162 ( 11.782 3.377 -0.167) 12.257 18.396 ( -5.207 7.820 0.922) 9.440 18.687 ( 3.627 2.566 1.315) 4.633 19.052 ( -5.779 1.916 -6.795) 9.124 19.418 ( 0.784 4.521 7.224) 8.558 19.556 ( -8.712 -4.073 -0.127) 9.618 19.607 ( 8.203 14.443 1.071) 16.644 19.941 ( -1.676 18.456 -3.667) 18.891 21.613 ( 4.728 -5.913 3.375) 8.289 21.666 ( 5.238 -6.856 -1.752) 8.804 21.987 ( 3.122 0.887 -1.677) 3.654 22.131 ( -2.607 6.126 -1.996) 6.950 22.327 ( -3.575 -4.361 7.566) 9.436 22.496 ( 2.854 -4.235 -9.334) 10.639 22.787 ( -3.086 -4.057 6.864) 8.550 22.873 ( -0.033 -3.910 -3.648) 5.348 22.982 ( -3.283 -10.234 2.721) 11.087 23.129 ( -4.991 -5.389 -1.727) 7.546 ======================= Grid point 169 (71/102) ======================= q-point: ( 0.64 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.996 -4.330 2.946) 5.331 1.673 ( 5.771 -0.919 -7.681) 9.651 1.968 ( -0.372 -4.800 3.884) 6.186 2.080 ( -1.035 -2.230 -3.947) 4.650 2.264 ( -2.633 -6.323 8.093) 10.602 2.355 ( 2.463 -3.354 -2.710) 4.966 2.526 ( 1.083 2.036 1.404) 2.700 2.597 ( -2.021 1.746 -1.831) 3.239 2.650 ( 2.753 3.643 -0.081) 4.567 2.718 ( -7.434 2.950 2.289) 8.319 2.880 ( 6.629 -3.852 -1.218) 7.763 2.971 ( 0.140 -1.662 -1.492) 2.237 3.143 ( 0.695 0.168 1.223) 1.417 3.194 ( 5.095 4.187 -1.958) 6.879 3.240 ( -4.747 0.251 2.393) 5.322 3.276 ( -3.502 0.228 1.950) 4.015 3.326 ( -0.113 3.803 0.032) 3.805 3.330 ( 4.638 0.223 -2.780) 5.412 3.547 ( -4.259 -2.680 0.414) 5.049 3.581 ( 5.643 -2.681 -6.660) 9.132 3.697 ( 0.938 -0.436 0.627) 1.210 3.733 ( -3.865 -3.552 1.123) 5.368 3.861 ( 4.246 0.702 2.368) 4.912 3.939 ( -5.205 -1.469 1.741) 5.682 4.058 ( 4.053 -0.230 -0.275) 4.069 4.143 ( -5.825 -0.037 -0.883) 5.891 4.313 ( 2.911 -1.782 -0.370) 3.433 4.348 ( -4.529 2.930 1.187) 5.523 4.589 ( 0.579 -0.942 -0.607) 1.261 4.642 ( -5.793 -3.510 -0.659) 6.805 4.917 ( 2.343 -0.785 1.608) 2.948 5.007 ( -0.430 -0.299 -0.871) 1.016 5.106 ( -2.268 -4.009 2.071) 5.051 5.133 ( 0.630 -2.881 0.516) 2.994 5.221 ( 3.262 -2.949 0.811) 4.472 5.290 ( -0.835 -7.292 -2.935) 7.904 5.498 ( 0.443 1.052 1.271) 1.708 5.662 ( -0.573 1.344 -7.607) 7.746 5.750 ( 0.381 -2.496 6.872) 7.321 5.927 ( -2.114 -0.009 -3.980) 4.507 6.099 ( 5.835 -1.264 5.906) 8.398 6.333 ( -3.268 -3.174 -6.460) 7.905 6.561 ( 3.627 3.855 7.316) 9.030 6.738 ( 0.313 3.471 -3.196) 4.729 6.916 ( -2.774 3.476 1.457) 4.680 6.961 ( 1.492 1.188 -4.320) 4.722 7.229 ( 4.231 2.910 6.417) 8.219 7.278 ( -8.577 7.147 5.518) 12.454 7.320 ( 3.931 8.680 -5.201) 10.856 7.453 ( -2.550 2.958 -3.559) 5.284 7.878 ( 0.352 0.966 0.614) 1.198 8.005 ( -5.066 1.991 -5.267) 7.574 8.154 ( -1.539 1.037 5.618) 5.916 8.307 ( 2.560 0.006 -6.676) 7.150 8.528 ( 1.093 3.810 4.205) 5.779 8.665 ( -3.206 1.196 -1.603) 3.779 9.054 ( -3.981 -0.392 5.093) 6.476 9.131 ( 3.979 -2.014 -4.540) 6.364 9.284 ( 7.184 -0.168 2.585) 7.636 9.440 ( -6.580 0.900 -0.344) 6.650 9.904 ( 2.197 4.031 6.050) 7.594 10.088 ( 4.540 6.930 -6.847) 10.748 10.456 ( -1.189 -2.625 4.148) 5.051 10.548 ( 0.578 -2.595 -4.163) 4.940 10.864 ( -0.416 0.971 2.936) 3.120 10.932 ( 3.929 -1.786 -3.506) 5.561 11.097 ( 2.188 1.213 -0.861) 2.646 11.148 ( -6.222 1.652 0.565) 6.462 11.498 ( -0.454 9.683 5.175) 10.988 11.623 ( 2.505 8.051 -4.821) 9.712 11.869 ( 4.797 6.080 1.377) 7.866 11.889 ( 5.534 5.586 -0.499) 7.879 12.208 ( 2.393 1.707 -1.161) 3.160 12.247 ( -5.851 2.637 1.171) 6.524 12.788 ( 2.293 5.853 0.184) 6.289 12.806 ( 0.953 7.094 -0.162) 7.160 13.239 ( 0.874 -6.144 3.163) 6.966 13.370 ( -1.108 -6.120 -3.058) 6.931 13.496 ( -0.065 4.956 2.576) 5.586 13.612 ( -3.566 2.362 -3.044) 5.250 15.786 ( -0.220 -1.556 1.622) 2.258 15.863 ( -3.431 -1.672 -1.218) 4.006 17.487 ( 6.348 -1.118 0.074) 6.446 17.596 ( -7.187 -1.315 -0.147) 7.308 18.167 ( 7.843 3.746 -0.988) 8.747 18.236 ( -5.114 5.238 0.999) 7.388 18.654 ( 3.735 5.389 5.025) 8.261 18.917 ( -3.162 6.356 -9.747) 12.058 19.341 ( 3.128 9.904 9.621) 14.158 19.493 ( 6.672 7.671 -4.353) 11.059 19.580 ( -1.866 -0.774 0.669) 2.128 19.690 ( -9.763 -2.841 -1.109) 10.228 21.682 ( 10.044 4.273 0.928) 10.955 21.780 ( -5.028 -3.202 2.250) 6.372 22.006 ( -0.711 0.223 -1.608) 1.772 22.029 ( 1.343 -1.012 -4.190) 4.515 22.370 ( -3.157 -1.681 7.135) 7.981 22.541 ( 1.207 -0.869 -7.830) 7.970 22.857 ( -1.513 -4.972 5.717) 7.726 22.946 ( 1.626 -2.546 -2.073) 3.664 23.141 ( -1.264 -8.512 1.004) 8.664 23.199 ( -2.300 -6.356 -1.347) 6.892 ======================= Grid point 170 (72/102) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.019 0.227 3.302) 3.463 1.748 ( 4.465 -3.765 -9.028) 10.752 1.941 ( -5.253 5.870 4.510) 9.077 2.051 ( 3.222 5.767 -4.622) 8.062 2.301 ( -7.845 3.726 11.359) 14.299 2.389 ( -2.747 0.820 1.275) 3.137 2.447 ( -0.791 3.048 -0.597) 3.205 2.548 ( 8.186 1.654 -5.810) 10.174 2.657 ( -0.784 -0.384 0.664) 1.096 2.677 ( 0.630 -2.480 -1.027) 2.757 2.985 ( -5.628 -1.750 1.563) 6.098 3.021 ( -3.562 9.395 4.169) 10.878 3.030 ( 4.920 -5.626 -1.317) 7.589 3.145 ( 4.208 3.221 -4.586) 7.008 3.222 ( 0.130 -0.008 4.312) 4.314 3.299 ( 3.859 -3.768 0.168) 5.396 3.305 ( -1.997 -3.033 -3.067) 4.753 3.351 ( 1.123 1.949 -2.759) 3.560 3.552 ( -3.667 -1.272 2.476) 4.604 3.650 ( 3.104 -2.120 -5.531) 6.687 3.705 ( -2.777 -0.628 3.116) 4.221 3.778 ( 0.871 -2.489 -2.792) 3.840 3.927 ( -4.471 -1.771 1.040) 4.921 3.930 ( 4.681 -2.169 1.273) 5.314 4.085 ( -2.936 2.407 0.595) 3.843 4.118 ( 4.068 -1.143 -1.785) 4.587 4.269 ( -6.661 -1.884 6.809) 9.710 4.421 ( 7.680 -2.145 -6.150) 10.070 4.612 ( 0.015 -1.152 4.025) 4.187 4.679 ( -3.131 -4.807 -1.930) 6.053 4.953 ( 5.381 0.590 0.490) 5.435 4.982 ( -4.355 0.772 -1.506) 4.672 5.136 ( -4.075 -2.516 1.366) 4.980 5.178 ( 2.472 -1.098 -1.685) 3.187 5.287 ( -1.648 -4.991 6.660) 8.484 5.436 ( 3.627 -0.514 -5.292) 6.436 5.481 ( 3.615 -2.576 1.482) 4.680 5.587 ( -4.066 2.663 -6.350) 7.997 5.787 ( -0.222 0.222 5.720) 5.729 5.903 ( -0.284 1.005 -3.906) 4.043 6.168 ( 0.400 -1.319 8.065) 8.181 6.317 ( -3.450 0.234 -4.723) 5.853 6.534 ( 6.807 4.104 0.850) 7.994 6.586 ( -3.533 8.781 -3.272) 10.015 6.814 ( -0.156 5.091 4.192) 6.597 6.882 ( -1.656 9.730 -1.742) 10.023 7.141 ( 2.196 5.814 4.830) 7.871 7.215 ( -2.860 -2.633 -2.081) 4.410 7.279 ( 3.699 1.146 1.518) 4.159 7.353 ( -1.535 4.654 -4.313) 6.528 7.891 ( 1.967 -0.685 0.708) 2.199 7.960 ( -2.107 -0.949 -4.106) 4.712 8.133 ( -1.963 1.430 4.795) 5.375 8.302 ( 3.487 1.172 -8.713) 9.458 8.472 ( -2.242 1.927 9.567) 10.014 8.661 ( 4.045 -1.284 -6.543) 7.798 9.063 ( -4.278 -2.552 5.904) 7.724 9.184 ( 0.720 -3.132 -3.738) 4.930 9.391 ( -2.346 -4.652 4.236) 6.715 9.433 ( 0.127 -4.396 1.212) 4.562 9.836 ( 1.240 5.726 2.196) 6.256 9.964 ( 2.491 7.340 -7.294) 10.643 10.498 ( -4.520 -3.163 4.981) 7.433 10.611 ( 5.080 -2.635 -4.364) 7.197 10.826 ( -1.248 3.436 3.219) 4.871 10.924 ( 0.153 3.084 -4.711) 5.633 11.096 ( -3.132 -0.456 1.169) 3.374 11.108 ( 2.417 1.084 0.486) 2.693 11.347 ( -1.195 6.442 5.102) 8.304 11.482 ( 1.220 6.982 -6.618) 9.697 11.751 ( -0.154 7.133 4.205) 8.281 11.821 ( 0.304 4.692 -2.112) 5.154 12.187 ( -3.258 0.541 1.030) 3.459 12.212 ( 3.318 -0.292 -1.063) 3.496 12.713 ( -0.969 3.331 0.988) 3.607 12.735 ( 0.780 2.492 -0.886) 2.758 13.347 ( 0.947 -1.295 1.374) 2.112 13.374 ( 0.058 1.516 -0.923) 1.776 13.485 ( -1.727 -2.318 4.653) 5.478 13.608 ( 0.714 -5.128 -5.406) 7.486 15.813 ( 0.137 -0.715 3.024) 3.111 15.881 ( -0.110 -2.162 -2.623) 3.401 17.568 ( 2.345 -2.637 0.615) 3.582 17.584 ( -2.629 -2.952 -0.712) 4.016 18.128 ( -4.866 3.163 0.498) 5.825 18.152 ( 6.484 4.051 -1.638) 7.819 18.575 ( -3.184 4.614 7.767) 9.579 18.768 ( 2.177 6.387 -8.967) 11.223 19.217 ( -1.472 5.660 4.734) 7.524 19.296 ( 1.021 9.455 -2.383) 9.804 19.724 ( 2.362 -7.739 1.469) 8.223 19.758 ( -2.197 -8.965 -1.350) 9.329 21.623 ( -1.743 6.904 3.347) 7.868 21.704 ( 1.571 6.226 -3.226) 7.186 22.041 ( -1.605 -4.474 1.440) 4.966 22.103 ( 3.326 -3.804 -3.707) 6.267 22.371 ( -2.766 0.881 6.752) 7.350 22.530 ( 1.388 0.604 -7.148) 7.306 22.942 ( -0.221 -1.918 2.840) 3.434 22.978 ( -0.117 -2.549 0.492) 2.599 23.263 ( -0.546 -5.675 1.652) 5.936 23.317 ( 0.678 -7.040 -2.523) 7.509 ======================= Grid point 171 (73/102) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -0.490 4.936 7.515) 9.005 1.686 ( -1.914 14.463 1.832) 14.704 1.831 ( 3.940 3.227 -4.353) 6.699 1.892 ( 1.767 10.486 -5.046) 11.771 2.178 ( -0.733 4.869 1.959) 5.299 2.297 ( 3.010 4.883 -2.959) 6.455 2.450 ( -3.460 -0.989 -0.090) 3.600 2.546 ( 6.575 7.562 -2.611) 10.355 2.634 ( -2.666 -0.431 3.702) 4.582 2.754 ( 2.742 -1.513 -0.223) 3.140 2.874 ( -2.564 5.457 5.495) 8.158 2.965 ( 1.373 0.141 0.413) 1.440 3.082 ( -2.277 -0.360 -2.275) 3.239 3.178 ( 5.144 -2.087 -2.749) 6.195 3.243 ( -4.902 3.094 -0.553) 5.823 3.280 ( -0.048 -3.043 2.070) 3.680 3.353 ( -0.111 -3.423 -1.406) 3.702 3.438 ( 7.742 -2.296 -4.042) 9.030 3.539 ( -3.700 -0.681 4.812) 6.108 3.664 ( -5.873 1.296 -1.957) 6.324 3.707 ( 0.201 -1.920 1.327) 2.342 3.798 ( -0.933 -1.311 -3.146) 3.534 3.955 ( -4.251 -4.744 1.970) 6.668 3.991 ( 2.289 -0.411 1.155) 2.597 4.036 ( 2.004 0.696 0.563) 2.195 4.156 ( 4.554 -0.319 -4.070) 6.116 4.283 ( -4.597 -1.686 5.380) 7.275 4.483 ( 6.778 -0.183 -4.942) 8.390 4.639 ( -0.794 -0.630 6.726) 6.802 4.759 ( 1.624 -4.888 -4.203) 6.648 4.899 ( -4.764 3.396 -0.808) 5.906 4.971 ( 4.574 2.259 -0.325) 5.112 5.162 ( -4.377 -3.600 1.469) 5.854 5.228 ( 0.498 -3.401 -0.322) 3.453 5.339 ( -1.200 1.049 2.398) 2.880 5.436 ( 2.661 0.730 -4.945) 5.662 5.507 ( -3.501 -0.831 3.056) 4.721 5.584 ( 2.674 -3.374 -2.588) 5.023 5.757 ( -0.193 3.358 1.877) 3.852 5.852 ( 1.830 4.314 -3.217) 5.684 6.184 ( -3.917 -1.352 7.340) 8.429 6.296 ( 3.182 2.360 -1.298) 4.169 6.394 ( -5.896 4.342 1.222) 7.424 6.534 ( 4.066 5.812 -0.382) 7.104 6.662 ( -0.407 7.288 -2.544) 7.730 6.793 ( 9.032 2.045 -2.327) 9.548 7.052 ( -0.091 6.501 6.715) 9.346 7.196 ( 1.338 4.210 -6.961) 8.244 7.292 ( -0.121 -1.704 3.133) 3.569 7.366 ( 3.262 -5.462 -1.368) 6.507 7.913 ( 2.102 -0.253 1.109) 2.390 7.988 ( 3.285 -1.862 -5.069) 6.321 8.111 ( -3.407 -0.982 4.836) 5.997 8.284 ( 3.257 1.758 -6.444) 7.431 8.482 ( -3.918 -2.700 9.851) 10.940 8.713 ( 4.037 -2.129 -7.950) 9.167 9.095 ( -5.187 -3.052 5.964) 8.473 9.234 ( -0.656 -3.133 -4.421) 5.458 9.444 ( -9.621 -6.759 4.680) 12.655 9.534 ( 1.150 -3.095 4.892) 5.902 9.747 ( 0.575 4.415 -0.782) 4.520 9.863 ( 3.080 3.470 -8.188) 9.411 10.505 ( -7.496 -0.530 3.340) 8.224 10.665 ( 4.799 1.588 -0.614) 5.092 10.764 ( 2.224 2.817 2.758) 4.527 10.839 ( 1.429 4.809 -4.733) 6.897 11.080 ( -1.956 -0.200 -1.183) 2.294 11.102 ( 5.059 2.550 1.330) 5.819 11.296 ( -0.689 0.357 3.796) 3.874 11.393 ( 1.623 2.301 -4.540) 5.343 11.647 ( -5.950 3.002 3.581) 7.566 11.748 ( -1.219 1.730 -2.002) 2.914 12.181 ( -1.778 -1.872 0.781) 2.697 12.260 ( 3.316 -2.241 -1.171) 4.170 12.653 ( -1.832 2.604 1.765) 3.641 12.704 ( 0.139 1.353 -1.320) 1.895 13.298 ( -0.482 3.270 1.112) 3.487 13.349 ( 1.675 3.196 -2.316) 4.288 13.590 ( -2.006 -8.048 5.926) 10.194 13.727 ( 1.438 -7.436 -4.998) 9.074 15.827 ( -0.060 -0.141 3.818) 3.821 15.922 ( 2.069 -2.234 -3.503) 4.641 17.570 ( -8.676 -2.719 -0.281) 9.096 17.700 ( 9.251 -3.944 0.603) 10.074 18.018 ( -2.688 6.147 -0.154) 6.711 18.097 ( 4.345 6.631 -1.833) 8.137 18.511 ( -9.278 -2.227 5.166) 10.851 18.734 ( 8.086 -0.807 -4.194) 9.145 19.131 ( -5.653 1.435 0.447) 5.850 19.211 ( 4.464 2.466 0.149) 5.102 19.824 ( -8.650 -8.333 0.494) 12.021 19.979 ( 10.626 -9.135 -0.448) 14.020 21.434 ( -11.442 7.735 0.885) 13.839 21.621 ( 10.272 8.198 -1.379) 13.215 22.105 ( -2.291 -3.633 0.876) 4.384 22.159 ( 1.120 0.074 -0.486) 1.223 22.339 ( -1.565 1.411 5.372) 5.771 22.518 ( 3.620 1.106 -8.944) 9.712 22.933 ( -2.648 0.984 6.496) 7.084 23.040 ( 0.392 -2.874 -2.286) 3.693 23.347 ( -0.815 -3.511 2.960) 4.664 23.424 ( 0.017 -4.850 -3.528) 5.998 ======================= Grid point 172 (74/102) ======================= q-point: (-0.09 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 1.013 16.749 3.608) 17.163 1.443 ( 2.558 13.388 3.145) 13.989 1.689 ( 2.213 10.213 0.933) 10.491 1.802 ( 7.417 5.779 -4.178) 10.289 2.080 ( 3.178 7.820 0.510) 8.456 2.303 ( 5.370 1.416 -8.720) 10.339 2.391 ( 4.008 8.206 0.469) 9.144 2.438 ( 7.098 4.200 -0.798) 8.286 2.564 ( -4.477 8.729 8.913) 13.254 2.712 ( -2.820 1.463 0.434) 3.206 2.869 ( 1.013 -0.874 0.205) 1.354 2.968 ( 8.982 4.980 -4.978) 11.413 3.063 ( -4.137 -0.429 1.779) 4.524 3.119 ( -1.760 2.248 0.725) 2.945 3.282 ( -1.775 -2.742 -1.233) 3.491 3.340 ( -0.360 -2.452 -0.293) 2.495 3.384 ( -0.013 -0.389 -1.220) 1.281 3.422 ( 2.287 2.082 0.093) 3.095 3.517 ( -5.979 2.996 0.257) 6.692 3.635 ( -1.776 -2.858 -1.401) 3.645 3.757 ( -1.326 -3.906 1.975) 4.574 3.807 ( -1.799 -1.140 -1.426) 2.563 3.975 ( -1.866 1.268 -2.168) 3.129 4.029 ( -4.010 -5.128 2.012) 6.814 4.090 ( 6.072 -1.447 2.112) 6.589 4.200 ( 1.811 -3.301 0.098) 3.766 4.282 ( -3.825 -0.873 3.199) 5.062 4.516 ( 4.200 -0.751 -2.535) 4.963 4.667 ( 2.039 -1.089 4.635) 5.179 4.760 ( -3.464 3.397 -5.604) 7.413 4.872 ( 4.334 -0.534 -0.520) 4.397 4.951 ( 3.449 2.336 -0.619) 4.211 5.196 ( -4.545 -3.177 1.457) 5.734 5.262 ( -6.912 -1.018 -1.470) 7.139 5.297 ( -3.835 1.390 1.516) 4.352 5.373 ( -2.646 1.818 -0.640) 3.273 5.510 ( 2.214 2.300 -0.916) 3.321 5.678 ( 2.633 -1.691 -1.226) 3.361 5.688 ( -0.888 2.128 1.149) 2.576 5.829 ( 7.411 0.451 -0.265) 7.430 6.176 ( -3.296 1.996 2.862) 4.799 6.283 ( 6.634 0.690 -3.669) 7.612 6.326 ( -0.899 1.636 2.727) 3.305 6.414 ( 3.757 7.177 5.645) 9.874 6.606 ( -3.179 0.044 -5.502) 6.354 6.898 ( 16.452 -3.760 -3.791) 17.296 6.960 ( 0.637 4.585 6.172) 7.715 7.133 ( 5.140 3.082 -5.382) 8.055 7.362 ( 0.982 -4.223 3.501) 5.573 7.488 ( 4.150 -4.311 -1.537) 6.178 7.960 ( 5.663 -1.745 2.010) 6.258 8.027 ( 1.656 -2.212 -4.009) 4.869 8.131 ( -1.595 -0.881 1.750) 2.526 8.274 ( 3.145 -0.023 -3.440) 4.661 8.533 ( -5.896 -4.339 8.242) 11.023 8.752 ( 0.787 -2.132 -6.110) 6.519 9.112 ( -6.184 -2.412 5.573) 8.667 9.252 ( -2.160 -0.723 -3.955) 4.564 9.500 ( -7.530 -5.328 2.030) 9.445 9.591 ( -2.760 -3.091 8.391) 9.358 9.707 ( 0.988 -0.099 -3.259) 3.407 9.844 ( 3.198 0.228 -6.809) 7.526 10.425 ( -5.015 3.102 1.425) 6.066 10.614 ( 4.570 6.036 1.390) 7.697 10.775 ( 1.261 2.929 -3.153) 4.485 10.789 ( 3.280 -1.568 0.571) 3.680 11.030 ( -1.556 2.931 0.066) 3.320 11.168 ( 7.217 -2.392 -0.820) 7.647 11.307 ( 0.953 -1.220 2.859) 3.251 11.390 ( 1.527 -0.458 -0.818) 1.792 11.580 ( -5.444 -0.820 0.179) 5.508 11.739 ( -0.067 -1.063 -0.567) 1.207 12.241 ( 0.264 -5.538 0.168) 5.547 12.328 ( 1.747 -3.227 -1.380) 3.920 12.601 ( -1.824 1.986 2.579) 3.731 12.678 ( 0.300 1.379 -1.503) 2.062 13.246 ( -0.019 2.515 1.506) 2.931 13.297 ( 0.346 2.803 -2.053) 3.492 13.733 ( -2.668 -8.404 3.508) 9.490 13.858 ( 0.144 -7.101 -3.234) 7.804 15.836 ( 0.355 0.240 3.818) 3.842 15.978 ( 3.481 -2.811 -3.593) 5.739 17.528 ( -10.311 -0.255 -0.888) 10.352 17.784 ( 2.182 3.531 2.182) 4.690 17.886 ( 2.140 8.026 0.633) 8.330 18.058 ( 11.099 -1.773 -2.774) 11.577 18.555 ( -9.357 -9.447 2.262) 13.488 18.879 ( 8.871 -7.485 -0.808) 11.635 19.096 ( -5.172 -2.445 -2.152) 6.113 19.252 ( 5.580 -2.388 1.595) 6.275 19.917 ( -9.000 -9.692 0.250) 13.229 20.200 ( 6.257 -7.183 -0.543) 9.541 21.211 ( -8.239 8.081 -0.039) 11.541 21.540 ( 10.503 9.596 0.090) 14.227 22.102 ( -2.430 4.901 0.947) 5.551 22.136 ( -0.438 -0.712 0.475) 0.961 22.336 ( 0.162 0.227 3.937) 3.946 22.500 ( 4.377 1.948 -9.364) 10.518 22.915 ( -4.039 0.060 8.784) 9.668 23.062 ( -0.742 -0.486 -4.404) 4.492 23.382 ( -2.825 -0.689 3.949) 4.904 23.463 ( -3.048 -1.387 -4.258) 5.417 ======================= Grid point 178 (75/102) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 10.289 0.000 4.068) 11.064 1.382 ( 10.977 0.000 1.566) 11.089 1.573 ( 18.051 0.000 -3.118) 18.318 1.740 ( 18.489 0.000 -3.919) 18.900 2.215 ( -0.803 -0.000 3.834) 3.917 2.333 ( -9.298 -0.000 6.313) 11.239 2.373 ( -0.511 -0.000 -4.376) 4.406 2.450 ( 8.016 0.000 -1.331) 8.125 2.472 ( 1.119 0.000 -3.354) 3.535 2.603 ( -2.907 -0.000 3.041) 4.207 2.730 ( -0.543 -0.000 -0.222) 0.587 2.834 ( 14.453 0.000 -4.070) 15.015 3.028 ( 9.955 0.000 -1.319) 10.042 3.103 ( -2.176 -0.000 -1.439) 2.609 3.143 ( -1.675 -0.000 1.924) 2.551 3.274 ( 1.563 0.000 0.836) 1.773 3.458 ( -0.215 -0.000 -2.823) 2.831 3.487 ( -3.767 -0.000 5.111) 6.349 3.544 ( 0.738 0.000 -10.682) 10.708 3.676 ( -1.933 -0.000 5.591) 5.916 3.699 ( -3.734 -0.000 7.978) 8.809 3.801 ( -0.500 -0.000 -4.916) 4.941 3.972 ( -4.250 -0.000 6.980) 8.172 3.976 ( 10.932 0.000 -5.597) 12.282 4.276 ( 0.605 0.000 1.386) 1.512 4.375 ( -2.751 -0.000 1.780) 3.276 4.450 ( -5.438 -0.000 -2.135) 5.842 4.501 ( 1.952 0.000 2.251) 2.979 4.561 ( 0.914 0.000 -0.282) 0.957 4.691 ( -6.871 -0.000 -5.499) 8.801 4.872 ( -6.077 -0.000 2.565) 6.596 4.872 ( -7.442 -0.000 -1.651) 7.623 4.925 ( -3.015 -0.000 2.964) 4.228 5.041 ( -5.401 -0.000 -2.203) 5.833 5.066 ( -4.306 -0.000 -0.994) 4.420 5.142 ( -4.399 -0.000 -0.335) 4.412 5.348 ( 11.660 0.000 -5.717) 12.987 5.461 ( -1.898 -0.000 8.887) 9.088 5.531 ( -7.370 -0.000 6.980) 10.151 5.799 ( 1.719 0.000 -11.737) 11.863 6.152 ( 0.812 0.000 3.841) 3.926 6.217 ( -0.156 -0.000 3.290) 3.293 6.351 ( 4.173 0.000 -2.846) 5.051 6.464 ( -2.438 -0.000 0.328) 2.460 6.951 ( 6.344 0.000 -2.073) 6.674 7.133 ( 8.236 0.000 2.206) 8.526 7.262 ( -3.769 -0.000 1.290) 3.984 7.291 ( 1.410 0.000 0.338) 1.450 7.608 ( 2.826 0.000 -0.875) 2.958 7.837 ( -0.595 -0.000 -6.985) 7.010 8.038 ( -3.630 -0.000 0.322) 3.644 8.296 ( 0.960 0.000 4.083) 4.194 8.318 ( 8.320 0.000 -3.455) 9.009 8.442 ( -10.601 -0.000 -0.654) 10.621 8.596 ( -13.370 -0.000 11.029) 17.332 8.641 ( -0.289 -0.000 -7.237) 7.243 9.146 ( 5.070 0.000 -5.248) 7.297 9.270 ( -8.422 -0.000 5.919) 10.294 9.588 ( 4.460 0.000 -1.928) 4.859 9.924 ( -17.471 -0.000 3.089) 17.742 10.074 ( -1.264 -0.000 5.720) 5.858 10.178 ( 10.245 0.000 -4.544) 11.207 10.419 ( 9.601 0.000 -10.568) 14.278 10.523 ( 3.869 0.000 4.620) 6.026 10.789 ( -1.625 -0.000 4.759) 5.029 10.873 ( 5.634 0.000 -3.238) 6.498 11.289 ( 4.523 0.000 2.909) 5.378 11.404 ( 5.377 0.000 0.620) 5.413 11.507 ( 13.163 0.000 -0.291) 13.166 11.707 ( 2.543 0.000 3.431) 4.271 11.770 ( -1.277 -0.000 -6.326) 6.453 11.935 ( -0.722 -0.000 1.884) 2.018 12.287 ( 0.505 0.000 1.164) 1.269 12.356 ( -0.773 -0.000 -1.108) 1.351 12.989 ( -3.609 -0.000 0.830) 3.703 13.039 ( -2.401 -0.000 -0.715) 2.505 13.573 ( 8.695 0.000 -1.845) 8.889 13.607 ( 6.875 0.000 3.188) 7.578 13.886 ( -5.511 -0.000 -0.854) 5.577 13.914 ( -2.973 -0.000 -0.463) 3.009 15.715 ( -7.019 -0.000 2.153) 7.341 15.929 ( -15.420 -0.000 -1.195) 15.467 17.631 ( 7.169 0.000 -1.520) 7.329 17.673 ( 6.958 0.000 1.847) 7.199 18.348 ( 6.686 0.000 -3.601) 7.595 18.380 ( 6.245 0.000 5.151) 8.096 18.696 ( -10.044 -0.000 -2.837) 10.436 18.754 ( -9.727 -0.000 1.753) 9.884 19.809 ( -0.370 -0.000 3.035) 3.058 19.952 ( -4.298 -0.000 -1.645) 4.602 20.530 ( -4.045 -0.000 6.198) 7.401 20.729 ( 7.893 0.000 -14.976) 16.928 20.955 ( 3.381 0.000 10.269) 10.811 21.248 ( 10.186 0.000 -11.625) 15.456 21.961 ( -1.186 -0.000 9.284) 9.359 22.088 ( 4.852 0.000 -4.078) 6.338 22.180 ( -4.831 -0.000 8.885) 10.113 22.431 ( -1.546 -0.000 -1.846) 2.408 22.502 ( 4.038 0.000 3.272) 5.197 22.631 ( 1.238 0.000 -5.916) 6.044 22.880 ( -5.996 -0.000 0.085) 5.997 22.932 ( -5.174 -0.000 -0.454) 5.194 ======================= Grid point 179 (76/102) ======================= q-point: ( 0.45 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.609 -3.614 4.647) 7.477 1.525 ( 7.539 -7.393 -2.311) 10.809 1.649 ( 11.862 4.278 1.395) 12.687 1.833 ( 10.661 2.077 -4.271) 11.671 2.185 ( 1.684 0.517 0.284) 1.785 2.199 ( -2.152 3.702 1.824) 4.654 2.455 ( -3.187 -4.903 -0.255) 5.854 2.484 ( -8.050 -4.846 2.106) 9.629 2.547 ( 5.313 -2.973 -2.583) 6.614 2.626 ( -1.610 -4.059 -2.221) 4.899 2.771 ( 6.005 -3.025 -0.953) 6.791 2.968 ( 10.759 -4.069 -1.585) 11.611 3.059 ( 2.062 2.072 0.065) 2.925 3.098 ( -2.332 -1.554 1.833) 3.349 3.149 ( -1.811 -1.876 0.973) 2.783 3.278 ( 2.264 1.302 -1.703) 3.118 3.409 ( -1.871 3.051 3.446) 4.968 3.464 ( -0.173 1.536 1.347) 2.050 3.562 ( -0.806 -0.646 -4.771) 4.882 3.631 ( -4.549 2.755 0.671) 5.361 3.663 ( 2.294 0.727 0.720) 2.512 3.788 ( -6.843 0.569 0.471) 6.883 3.944 ( 7.728 2.844 2.445) 8.590 4.064 ( 8.842 -0.053 -0.884) 8.886 4.217 ( -0.085 5.822 2.604) 6.378 4.291 ( -2.105 5.869 -1.642) 6.448 4.397 ( -3.824 1.829 -0.683) 4.294 4.541 ( 0.283 -1.570 1.568) 2.237 4.594 ( 1.478 -0.536 -0.961) 1.843 4.656 ( -4.943 -1.967 -4.876) 7.216 4.747 ( -5.087 2.461 1.425) 5.828 4.838 ( -10.134 -1.682 -1.244) 10.347 4.912 ( 0.934 -0.781 0.681) 1.395 5.025 ( -4.983 0.531 0.608) 5.048 5.112 ( -2.130 -6.549 -0.981) 6.956 5.173 ( -4.804 -5.227 0.301) 7.106 5.323 ( 1.728 5.482 4.051) 7.032 5.479 ( -1.050 -3.154 -0.649) 3.387 5.556 ( 4.504 -3.431 3.733) 6.782 5.849 ( -2.447 -5.156 -7.664) 9.556 6.125 ( 4.825 3.589 0.939) 6.086 6.221 ( -3.356 -1.176 2.906) 4.593 6.419 ( 1.834 -2.762 2.167) 3.961 6.508 ( 2.360 -6.037 -2.304) 6.879 6.982 ( 5.961 1.487 -0.978) 6.221 7.187 ( 5.310 1.058 0.908) 5.490 7.204 ( -1.019 2.060 0.288) 2.317 7.333 ( -2.353 -3.024 0.787) 3.912 7.612 ( 2.083 1.746 -0.187) 2.725 7.802 ( -2.916 1.433 -5.923) 6.756 8.019 ( -1.468 0.475 2.269) 2.744 8.286 ( 0.237 2.418 2.548) 3.520 8.324 ( -4.812 2.175 -3.397) 6.278 8.382 ( 2.002 1.148 -1.298) 2.648 8.510 ( -6.597 1.555 6.420) 9.336 8.616 ( -1.929 0.631 -3.461) 4.012 9.150 ( 4.008 2.170 -4.061) 6.104 9.201 ( -7.342 1.943 3.640) 8.422 9.598 ( 4.936 2.631 -2.755) 6.235 9.776 ( -13.183 3.715 3.390) 14.109 10.054 ( -1.931 2.717 9.490) 10.059 10.234 ( 10.310 0.519 -7.150) 12.558 10.433 ( 3.320 2.886 -1.608) 4.684 10.528 ( 2.189 1.610 -2.228) 3.514 10.794 ( 1.466 -0.355 3.533) 3.842 10.892 ( 4.083 1.191 -2.376) 4.872 11.270 ( 3.623 4.802 2.163) 6.392 11.389 ( 1.883 4.452 -0.034) 4.834 11.644 ( 9.263 -4.309 -0.410) 10.224 11.765 ( 0.318 -2.681 -2.314) 3.556 11.809 ( 3.184 -4.417 1.493) 5.646 11.918 ( -0.832 0.298 0.365) 0.956 12.284 ( 2.150 1.384 0.076) 2.558 12.357 ( -1.871 -0.571 -0.031) 1.956 12.982 ( -2.497 -1.956 1.377) 3.458 13.050 ( -2.073 -3.145 -1.134) 3.934 13.481 ( 8.007 12.765 1.034) 15.104 13.629 ( 8.266 10.414 0.378) 13.301 13.755 ( -6.607 3.936 -1.069) 7.764 13.862 ( -5.292 3.921 -0.665) 6.620 15.688 ( -4.951 -1.564 2.210) 5.643 15.838 ( -10.700 -1.092 -1.738) 10.895 17.597 ( 7.413 7.000 -0.258) 10.199 17.698 ( 1.491 2.140 0.283) 2.624 18.287 ( 13.981 4.062 0.078) 14.559 18.557 ( -2.519 -1.272 1.579) 3.233 18.660 ( -5.745 -4.157 -0.978) 7.159 18.763 ( -10.216 -10.481 -0.367) 14.640 19.686 ( -1.569 11.847 3.115) 12.350 19.794 ( -2.190 11.247 -2.219) 11.671 20.337 ( 0.520 17.849 6.612) 19.041 20.610 ( 5.324 13.910 -10.892) 18.451 21.149 ( 0.408 -13.660 8.258) 15.967 21.382 ( 7.530 -8.768 -11.384) 16.223 22.012 ( 0.496 -3.414 9.146) 9.775 22.134 ( 0.562 -2.363 2.733) 3.656 22.250 ( -0.406 -6.929 -1.716) 7.150 22.366 ( -0.763 4.022 -4.127) 5.812 22.567 ( 1.905 -4.350 3.501) 5.900 22.690 ( -0.109 -4.430 -1.507) 4.680 22.838 ( -4.535 -0.030 0.754) 4.597 22.932 ( -4.620 -4.216 -1.861) 6.525 ======================= Grid point 180 (77/102) ======================= q-point: ( 0.55 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -5.402 0.201 10.801) 12.078 1.651 ( 1.205 -2.646 3.664) 4.677 1.735 ( 9.095 -6.156 -9.671) 14.633 1.835 ( 6.579 -0.470 -8.704) 10.921 2.173 ( 0.714 0.106 5.072) 5.123 2.253 ( 5.017 -3.237 -3.049) 6.704 2.492 ( 2.692 -0.780 -0.886) 2.939 2.518 ( -8.898 -4.863 2.485) 10.440 2.623 ( -3.782 -4.896 2.382) 6.629 2.687 ( -0.671 -4.180 -4.458) 6.148 2.903 ( 10.423 -2.034 -1.696) 10.754 2.989 ( -6.416 1.278 4.303) 7.830 3.121 ( -0.437 -3.353 1.415) 3.665 3.124 ( 3.873 -3.271 -1.355) 5.247 3.181 ( -0.288 -1.863 1.665) 2.515 3.249 ( -2.729 0.583 -2.231) 3.573 3.376 ( 3.466 0.721 2.687) 4.444 3.440 ( 3.605 3.036 3.543) 5.896 3.515 ( 0.480 3.085 -3.280) 4.529 3.595 ( -1.332 -0.156 -5.033) 5.208 3.649 ( -4.606 1.691 4.397) 6.589 3.728 ( -0.751 -0.050 -2.851) 2.949 3.951 ( 4.935 4.527 3.526) 7.568 4.065 ( -0.331 4.420 1.529) 4.688 4.126 ( -2.128 3.346 -0.800) 4.046 4.171 ( 2.860 5.004 -4.696) 7.435 4.331 ( 1.003 3.075 2.483) 4.078 4.549 ( -5.085 0.148 -1.742) 5.377 4.565 ( -5.587 4.647 -0.047) 7.267 4.596 ( 1.089 0.874 -2.328) 2.715 4.771 ( -1.001 -6.059 2.558) 6.653 4.877 ( -1.068 -7.817 -3.892) 8.797 4.967 ( 1.635 -1.480 2.171) 3.095 5.003 ( -0.820 -2.416 0.604) 2.622 5.130 ( -6.938 1.066 5.637) 9.003 5.200 ( 1.768 -2.384 -4.803) 5.646 5.381 ( 2.282 -5.835 2.815) 6.868 5.522 ( -5.940 -5.393 0.888) 8.072 5.690 ( 9.021 -3.511 -0.620) 9.700 5.874 ( -5.530 -2.840 -4.414) 7.624 6.113 ( 3.352 1.987 3.834) 5.467 6.233 ( -0.818 -1.974 -3.485) 4.088 6.505 ( 0.417 -4.770 6.997) 8.479 6.647 ( 3.390 -6.564 -4.705) 8.758 6.977 ( 4.094 3.009 0.352) 5.093 7.114 ( -3.250 3.881 -3.744) 6.296 7.239 ( 5.155 -0.091 4.061) 6.563 7.365 ( -3.602 -3.034 -0.464) 4.733 7.565 ( 0.172 4.989 2.735) 5.692 7.704 ( -2.230 5.937 -5.107) 8.143 7.993 ( 0.068 2.960 3.395) 4.505 8.183 ( -5.637 5.498 -5.745) 9.747 8.251 ( -0.073 3.713 4.933) 6.175 8.356 ( 3.394 3.547 -4.671) 6.777 8.509 ( 0.966 -2.430 2.178) 3.403 8.596 ( -5.557 -2.318 0.724) 6.064 9.113 ( -5.622 2.496 3.014) 6.850 9.137 ( 5.541 2.049 -4.714) 7.558 9.521 ( 0.918 8.505 2.400) 8.885 9.630 ( -3.939 5.533 -2.672) 7.298 10.005 ( -1.954 3.106 12.407) 12.938 10.266 ( 8.507 2.813 -10.494) 13.799 10.398 ( -1.246 0.469 3.963) 4.180 10.505 ( 0.467 0.833 -4.102) 4.212 10.833 ( -0.173 -1.774 3.316) 3.764 10.897 ( 4.708 0.547 -3.118) 5.673 11.206 ( 2.030 4.767 1.600) 5.423 11.289 ( -2.068 5.785 -0.911) 6.211 11.738 ( 3.588 1.036 -0.064) 3.735 11.806 ( 0.068 -0.100 -0.517) 0.531 11.873 ( 4.125 -1.926 1.540) 4.806 11.961 ( 1.291 -3.112 -0.795) 3.462 12.278 ( 3.710 1.651 -0.395) 4.080 12.331 ( -4.422 0.897 0.522) 4.542 13.031 ( -0.387 -4.085 2.034) 4.580 13.104 ( -1.231 -3.573 -1.729) 4.156 13.262 ( 4.364 16.064 2.387) 16.817 13.361 ( 3.175 19.168 -2.571) 19.598 13.676 ( -2.963 3.650 1.594) 4.964 13.743 ( -3.085 4.147 -2.012) 5.547 15.707 ( -1.758 -2.620 2.291) 3.899 15.801 ( -5.279 -1.773 -2.013) 5.921 17.541 ( 7.181 4.661 -0.032) 8.561 17.633 ( -4.264 3.216 -0.105) 5.341 18.326 ( 11.198 4.497 1.595) 12.172 18.479 ( -4.925 4.810 -1.142) 6.978 18.710 ( 1.440 -2.767 2.421) 3.949 18.896 ( -8.965 -10.110 -3.899) 14.063 19.491 ( -1.851 7.119 3.617) 8.197 19.574 ( -1.061 9.436 -2.992) 9.956 20.013 ( 3.660 20.458 8.310) 22.382 20.294 ( 1.500 20.705 -8.621) 22.478 21.415 ( -1.511 -13.637 6.612) 15.231 21.581 ( 6.370 -9.291 -9.308) 14.613 22.055 ( 1.192 1.965 5.670) 6.118 22.211 ( -3.344 -4.504 3.303) 6.510 22.236 ( -0.326 4.922 0.168) 4.936 22.404 ( 3.743 -6.521 -9.362) 12.007 22.681 ( -2.870 -6.233 4.969) 8.472 22.770 ( -1.212 -5.926 -0.796) 6.101 22.848 ( 0.396 -3.809 3.014) 4.873 22.989 ( -3.595 -5.586 -3.046) 7.308 ======================= Grid point 181 (78/102) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -3.600 -3.070 6.788) 8.274 1.701 ( 4.159 0.019 -6.865) 8.027 1.817 ( -4.716 -6.890 2.229) 8.642 1.994 ( 7.561 -7.968 -8.137) 13.670 2.201 ( -1.416 -1.395 6.027) 6.346 2.325 ( 4.821 -2.716 -4.839) 7.351 2.500 ( -9.350 -3.849 4.062) 10.896 2.570 ( 5.395 0.069 -1.072) 5.500 2.682 ( -0.329 -3.147 1.739) 3.611 2.705 ( -6.812 0.890 1.009) 6.943 2.878 ( -1.684 0.602 3.778) 4.180 3.014 ( 5.925 1.738 -5.440) 8.229 3.146 ( -0.607 -1.705 2.341) 2.959 3.190 ( -4.599 -1.128 0.650) 4.779 3.207 ( -0.528 -1.789 2.091) 2.802 3.246 ( 1.180 -2.021 -2.734) 3.599 3.411 ( -0.408 2.160 2.319) 3.195 3.427 ( 8.453 3.770 -0.165) 9.257 3.478 ( 0.558 -0.988 -3.230) 3.424 3.579 ( 2.451 -0.575 -6.195) 6.687 3.629 ( -4.931 -1.847 4.709) 7.064 3.721 ( 1.248 0.208 -2.935) 3.196 3.882 ( -4.085 3.063 6.532) 8.291 3.975 ( 3.963 4.655 -0.296) 6.121 4.036 ( -7.438 0.918 1.335) 7.613 4.149 ( 4.126 0.962 -5.971) 7.321 4.345 ( 5.444 1.357 2.676) 6.216 4.391 ( -3.275 4.629 -1.801) 5.950 4.556 ( -2.732 -1.354 1.000) 3.209 4.592 ( 1.771 0.074 -2.102) 2.750 4.881 ( -0.635 -5.422 4.270) 6.931 4.952 ( -4.891 -2.477 0.051) 5.483 5.051 ( 2.382 -3.942 0.489) 4.632 5.058 ( -0.995 -3.294 2.002) 3.981 5.160 ( 0.643 -6.088 -1.430) 6.287 5.220 ( 5.247 -0.721 -4.212) 6.766 5.490 ( 1.052 -3.209 3.320) 4.735 5.578 ( -6.183 -4.866 -1.207) 7.960 5.782 ( 7.121 -0.078 0.679) 7.154 5.869 ( -5.173 -2.321 -3.888) 6.875 6.121 ( -0.558 -0.440 6.467) 6.506 6.261 ( 1.066 -1.993 -6.434) 6.819 6.597 ( -0.299 -2.871 7.960) 8.467 6.748 ( 1.775 -3.027 -4.961) 6.076 6.952 ( 2.565 2.111 0.008) 3.322 6.999 ( -3.609 4.557 -3.794) 6.941 7.277 ( 0.586 0.805 6.197) 6.277 7.383 ( -0.738 -0.779 -2.408) 2.636 7.441 ( -1.803 8.385 4.298) 9.594 7.548 ( 1.677 9.320 -4.265) 10.385 7.934 ( 0.786 3.915 2.518) 4.721 8.031 ( -2.733 5.445 -5.165) 7.988 8.201 ( 1.430 3.198 3.679) 5.080 8.321 ( 3.217 1.167 -6.975) 7.769 8.569 ( -0.710 -1.284 3.576) 3.865 8.616 ( -2.143 -3.097 0.444) 3.792 9.037 ( -4.972 1.997 4.082) 6.736 9.155 ( 6.736 0.604 -5.809) 8.915 9.377 ( -1.945 6.124 5.347) 8.359 9.485 ( 0.347 7.693 -3.913) 8.638 9.977 ( -1.530 1.890 10.087) 10.376 10.206 ( 2.406 5.259 -8.889) 10.604 10.415 ( -1.369 -1.243 3.703) 4.139 10.510 ( 2.224 -1.956 -4.370) 5.279 10.846 ( -4.617 -1.262 3.671) 6.032 10.936 ( 4.182 -0.986 -3.991) 5.864 11.143 ( -1.115 3.230 1.578) 3.764 11.176 ( -0.175 4.464 -1.037) 4.586 11.670 ( 0.028 7.826 3.497) 8.572 11.749 ( -0.073 4.979 -3.225) 5.932 11.944 ( 2.932 0.055 1.483) 3.286 11.976 ( -2.431 1.025 -1.199) 2.898 12.251 ( -4.097 2.463 1.482) 5.005 12.284 ( 3.890 2.756 -1.285) 4.938 12.971 ( -0.679 13.253 1.279) 13.332 13.002 ( 0.704 13.768 -1.373) 13.854 13.146 ( 0.532 -5.045 4.018) 6.471 13.239 ( -1.077 -5.382 -3.720) 6.630 13.589 ( 0.372 4.772 2.512) 5.406 13.655 ( -0.037 4.081 -2.980) 5.053 15.759 ( 0.874 -2.754 2.128) 3.588 15.807 ( -0.703 -1.620 -1.894) 2.590 17.533 ( 1.195 1.488 0.667) 2.021 17.551 ( -1.258 1.348 -0.793) 2.007 18.267 ( -4.348 5.522 3.533) 7.866 18.354 ( 5.580 7.118 -3.820) 9.818 18.744 ( -1.223 1.656 6.978) 7.275 18.941 ( -0.461 -0.156 -10.457) 10.468 19.429 ( -3.508 -0.722 5.956) 6.950 19.503 ( 2.933 -1.849 -1.532) 3.790 19.718 ( 2.467 15.989 6.549) 17.454 19.889 ( -1.259 21.303 -7.226) 22.530 21.624 ( -3.316 -9.830 4.620) 11.356 21.743 ( 4.694 -4.678 -4.734) 8.144 22.003 ( -2.897 2.579 1.993) 4.361 22.109 ( 3.665 6.734 -5.424) 9.391 22.300 ( -4.425 -4.798 8.634) 10.823 22.503 ( 3.320 -2.999 -9.231) 10.258 22.755 ( -4.747 -5.402 6.882) 9.953 22.891 ( 4.126 -5.573 -3.074) 7.585 22.989 ( 2.279 -8.400 2.588) 9.080 23.060 ( -2.873 -6.113 -1.927) 7.024 ======================= Grid point 182 (79/102) ======================= q-point: (-0.27 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.746 -5.437 0.729) 5.536 1.725 ( 6.247 -1.128 -9.671) 11.568 1.899 ( -8.834 -5.236 5.330) 11.570 2.120 ( 6.140 -1.261 -3.639) 7.248 2.208 ( -7.852 -2.239 8.606) 11.863 2.416 ( 2.465 -1.024 -0.768) 2.778 2.524 ( -0.481 0.139 -1.025) 1.141 2.557 ( -4.041 -2.417 2.027) 5.126 2.612 ( -3.019 2.110 0.739) 3.757 2.705 ( 1.787 1.560 1.773) 2.961 2.925 ( -2.180 -2.725 -1.761) 3.909 3.001 ( 7.220 0.755 -3.369) 8.003 3.126 ( -3.799 2.228 1.451) 4.637 3.169 ( -4.572 -0.453 0.413) 4.613 3.232 ( -3.349 2.106 1.777) 4.337 3.278 ( 6.222 -2.578 0.046) 6.735 3.338 ( 2.225 4.948 -0.620) 5.460 3.414 ( 6.045 3.392 -3.310) 7.682 3.479 ( -3.054 -2.488 -1.912) 4.379 3.623 ( 1.272 -0.997 -4.328) 4.620 3.663 ( -2.618 -3.560 1.727) 4.744 3.739 ( 1.932 -0.877 1.266) 2.471 3.849 ( -6.257 -2.581 3.023) 7.412 3.962 ( 4.021 0.662 2.649) 4.861 4.031 ( -3.126 -3.935 -1.480) 5.239 4.161 ( 6.955 1.492 -1.635) 7.299 4.255 ( -4.073 2.655 2.525) 5.479 4.445 ( 10.468 -1.059 -3.350) 11.042 4.574 ( -2.620 -3.242 -0.517) 4.200 4.612 ( 1.854 -0.672 1.702) 2.605 4.937 ( -6.358 -0.628 0.493) 6.408 4.968 ( 2.164 -2.928 1.449) 3.918 5.079 ( -1.960 -1.688 2.875) 3.867 5.163 ( 2.221 -2.958 -0.918) 3.811 5.186 ( -3.254 -4.139 0.567) 5.295 5.378 ( 9.309 -6.259 -6.498) 12.963 5.516 ( -0.581 0.736 4.508) 4.605 5.577 ( -4.230 0.156 -3.632) 5.577 5.816 ( 3.486 0.973 3.963) 5.367 5.870 ( -3.063 -2.194 -3.400) 5.075 6.129 ( -6.553 -1.394 4.536) 8.091 6.289 ( 2.203 -1.320 -3.928) 4.693 6.637 ( 1.857 0.361 5.737) 6.041 6.721 ( 0.689 6.520 -6.576) 9.286 6.861 ( -4.369 3.875 2.825) 6.487 6.998 ( 4.998 -0.772 -4.334) 6.660 7.174 ( -7.192 6.804 6.314) 11.742 7.312 ( 0.071 5.849 4.592) 7.436 7.376 ( 4.935 4.968 -2.372) 7.393 7.408 ( 1.725 4.710 -4.592) 6.800 7.903 ( 1.729 0.660 0.968) 2.088 7.949 ( 1.170 1.833 -3.132) 3.812 8.177 ( 1.590 2.052 3.666) 4.492 8.320 ( 3.676 0.608 -7.913) 8.746 8.541 ( -1.785 3.110 3.990) 5.364 8.660 ( 3.166 -0.765 -1.387) 3.540 8.994 ( -6.269 -0.866 4.734) 7.903 9.161 ( 2.093 1.009 -2.199) 3.199 9.304 ( -8.040 0.217 1.470) 8.176 9.422 ( 6.357 -0.121 0.136) 6.360 9.931 ( -2.618 3.906 5.907) 7.550 10.085 ( -0.426 6.731 -7.979) 10.448 10.429 ( -3.374 -1.731 3.790) 5.361 10.584 ( 5.352 -3.657 -4.464) 7.870 10.842 ( -3.176 -0.571 3.351) 4.652 10.944 ( -1.342 0.131 -3.369) 3.629 11.076 ( -3.575 1.624 0.657) 3.981 11.155 ( 5.960 0.902 -0.064) 6.028 11.501 ( -2.204 9.985 5.273) 11.505 11.617 ( -0.293 8.395 -4.770) 9.659 11.871 ( -5.589 5.973 1.147) 8.260 11.893 ( -4.777 5.129 -0.620) 7.036 12.194 ( -0.502 1.647 -0.078) 1.723 12.261 ( 4.127 2.756 0.091) 4.963 12.784 ( -2.492 6.043 0.364) 6.547 12.810 ( -0.846 6.894 -0.276) 6.952 13.277 ( 1.425 -6.666 4.274) 8.045 13.323 ( -2.262 -5.138 -3.464) 6.596 13.519 ( 0.580 4.543 1.941) 4.974 13.597 ( 4.052 2.300 -3.009) 5.547 15.820 ( 3.197 -1.181 2.336) 4.132 15.833 ( 0.637 -1.998 -2.101) 2.969 17.489 ( -6.558 -1.115 -0.061) 6.653 17.592 ( 7.171 -1.238 0.120) 7.278 18.137 ( -7.052 3.396 0.724) 7.861 18.285 ( 7.067 5.586 -1.936) 9.214 18.650 ( -8.424 5.834 6.117) 11.934 18.882 ( 4.791 5.145 -7.902) 10.576 19.354 ( -5.552 8.825 7.526) 12.859 19.518 ( -4.304 13.139 -4.931) 14.679 19.596 ( 1.960 0.946 -0.162) 2.183 19.660 ( 10.430 -8.256 0.480) 13.310 21.666 ( -10.809 2.911 1.649) 11.315 21.790 ( 2.823 -1.224 1.935) 3.635 22.005 ( 2.682 -0.270 -2.761) 3.858 22.052 ( 3.595 -1.101 -4.664) 5.991 22.356 ( -3.116 -2.159 8.205) 9.038 22.524 ( 0.737 -0.384 -6.414) 6.468 22.856 ( -1.525 -6.512 4.313) 7.958 22.966 ( 2.109 -0.715 -2.134) 3.084 23.154 ( 2.175 -7.064 1.292) 7.503 23.181 ( 0.879 -8.149 -1.353) 8.307 ======================= Grid point 183 (80/102) ======================= q-point: (-0.18 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 1.751 -0.214 2.505) 3.064 1.789 ( 6.777 -1.892 -11.839) 13.772 1.868 ( -5.748 2.831 3.257) 7.187 2.098 ( 4.116 7.660 -1.305) 8.793 2.216 ( -9.764 -2.073 11.915) 15.544 2.359 ( -1.488 0.701 -0.066) 1.646 2.434 ( -0.230 7.746 -1.046) 7.819 2.615 ( -0.865 -3.050 -1.479) 3.498 2.649 ( 4.585 -1.564 -2.172) 5.309 2.725 ( 3.300 -2.227 1.788) 4.365 2.913 ( -3.268 -0.227 0.549) 3.321 3.013 ( 0.423 5.202 1.197) 5.354 3.058 ( -1.093 -0.332 -1.263) 1.703 3.172 ( 1.065 -1.678 -0.269) 2.006 3.238 ( 0.053 -1.436 2.028) 2.485 3.254 ( -2.653 0.448 -2.215) 3.485 3.356 ( 1.372 5.453 -2.996) 6.371 3.396 ( 8.017 -4.224 -1.296) 9.154 3.509 ( -3.504 -2.706 1.651) 4.725 3.647 ( -3.378 1.132 -0.721) 3.635 3.671 ( -0.376 -2.616 0.627) 2.716 3.762 ( -0.179 -1.441 -2.268) 2.693 3.873 ( -3.565 -2.279 1.977) 4.670 3.999 ( 1.847 -1.049 0.596) 2.206 4.067 ( 4.090 0.048 -2.547) 4.819 4.195 ( 5.900 -0.095 -0.628) 5.934 4.229 ( -2.741 -0.809 4.831) 5.613 4.522 ( 7.610 -0.379 -5.041) 9.136 4.642 ( 0.383 -0.648 5.654) 5.704 4.649 ( 0.304 -6.390 -1.648) 6.606 4.887 ( -5.575 0.533 -0.885) 5.670 5.025 ( 3.571 -0.233 -0.268) 3.588 5.089 ( -3.194 -1.422 2.563) 4.335 5.186 ( -0.588 -1.709 -1.060) 2.095 5.301 ( 0.097 -5.253 2.952) 6.027 5.450 ( 0.319 0.145 -3.855) 3.871 5.504 ( -2.203 1.886 -1.493) 3.262 5.551 ( 3.664 -1.640 -0.986) 4.134 5.814 ( 1.014 2.464 2.703) 3.795 5.880 ( -0.927 -0.844 -1.282) 1.793 6.103 ( -8.359 -2.308 2.748) 9.096 6.328 ( 1.782 -1.267 1.816) 2.842 6.525 ( 0.695 11.489 -5.075) 12.579 6.638 ( 3.860 3.243 0.388) 5.057 6.831 ( -0.996 -1.197 4.851) 5.095 6.884 ( 3.414 12.760 -2.120) 13.378 7.160 ( -2.382 -4.026 -0.956) 4.775 7.196 ( -0.397 6.410 2.621) 6.937 7.336 ( 5.199 1.232 -2.876) 6.068 7.359 ( 4.380 3.446 0.091) 5.574 7.924 ( 3.374 -0.498 -2.924) 4.492 7.972 ( 3.979 -2.214 1.196) 4.708 8.143 ( 1.296 4.216 2.955) 5.309 8.308 ( 0.744 0.683 -5.028) 5.129 8.486 ( -0.288 2.788 4.969) 5.705 8.693 ( 3.991 -1.166 -6.405) 7.637 8.989 ( -9.649 -3.648 5.342) 11.617 9.169 ( -0.876 -1.861 -1.171) 2.367 9.277 ( -8.292 -4.023 1.898) 9.410 9.507 ( 3.688 -2.664 3.036) 5.469 9.829 ( -3.613 5.154 2.654) 6.831 9.944 ( -0.548 5.749 -8.048) 9.906 10.441 ( -4.114 -1.557 2.614) 5.117 10.680 ( 4.998 -2.815 -2.961) 6.455 10.820 ( -0.332 2.015 2.743) 3.420 10.928 ( 2.087 1.433 -2.333) 3.443 11.041 ( -3.404 -0.722 0.032) 3.480 11.194 ( 6.873 1.230 0.843) 7.033 11.340 ( -2.536 6.070 4.584) 8.018 11.460 ( -0.736 5.827 -5.281) 7.898 11.700 ( -8.402 6.725 1.556) 10.874 11.759 ( -5.983 3.890 -0.329) 7.144 12.167 ( 0.279 1.048 -0.740) 1.313 12.263 ( 2.813 0.089 0.777) 2.920 12.693 ( -1.867 3.122 0.373) 3.657 12.726 ( -1.439 2.001 -0.353) 2.490 13.339 ( -0.755 0.282 -0.724) 1.084 13.413 ( 3.610 -0.485 0.054) 3.642 13.457 ( -3.529 -2.600 2.712) 5.154 13.635 ( 4.459 -3.113 -2.254) 5.886 15.844 ( 2.074 0.422 2.415) 3.211 15.887 ( 2.222 -2.545 -2.224) 4.045 17.475 ( -5.736 -1.980 -0.144) 6.069 17.695 ( 8.450 -3.703 0.746) 9.256 18.050 ( -4.621 1.639 -1.682) 5.184 18.236 ( 4.761 5.559 -1.402) 7.452 18.480 ( -10.744 4.652 5.386) 12.887 18.814 ( 5.621 4.301 -4.831) 8.569 19.169 ( -5.272 6.796 3.135) 9.155 19.314 ( 0.796 6.793 -1.113) 6.929 19.646 ( -3.606 -5.295 -0.309) 6.414 19.906 ( 12.417 -8.645 0.193) 15.132 21.477 ( -12.653 6.707 0.900) 14.349 21.804 ( 6.454 4.126 -0.380) 7.669 22.020 ( -0.997 -2.683 -0.119) 2.865 22.139 ( 3.003 -3.598 -3.176) 5.661 22.359 ( -2.705 0.904 6.692) 7.275 22.527 ( 1.868 -0.591 -5.853) 6.173 22.949 ( -0.068 -0.659 1.944) 2.053 22.973 ( -0.974 -2.876 0.865) 3.157 23.277 ( 1.461 -4.717 1.349) 5.119 23.321 ( 1.186 -6.249 -2.232) 6.741 ======================= Grid point 185 (81/102) ======================= q-point: (-0.09 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -1.346 6.040 7.736) 9.907 1.677 ( 0.071 12.144 0.896) 12.177 1.872 ( 3.985 0.391 -9.436) 10.250 1.936 ( 6.895 11.326 0.591) 13.273 2.201 ( 2.500 0.786 1.136) 2.856 2.337 ( 3.357 3.384 -2.189) 5.245 2.401 ( -2.451 -3.812 -0.067) 4.533 2.611 ( 0.857 1.615 0.209) 1.840 2.663 ( 5.239 3.880 -0.005) 6.520 2.777 ( 0.596 4.745 2.188) 5.259 2.848 ( -3.064 0.813 4.270) 5.318 2.968 ( -1.598 -0.913 0.307) 1.865 3.090 ( 4.767 -1.785 -3.917) 6.423 3.157 ( -4.866 2.535 -2.253) 5.931 3.223 ( 0.285 0.636 -3.216) 3.291 3.287 ( 0.088 -1.810 2.191) 2.844 3.337 ( -1.439 -4.794 0.823) 5.073 3.494 ( -1.914 1.906 -1.163) 2.941 3.527 ( -2.265 -3.730 2.597) 5.078 3.555 ( -0.553 3.463 1.008) 3.649 3.725 ( 1.036 -1.279 0.135) 1.652 3.774 ( 0.707 -0.676 -4.456) 4.563 3.908 ( -3.323 -4.826 3.557) 6.854 3.994 ( -0.336 1.907 -0.564) 2.017 4.120 ( 6.888 -1.383 -1.140) 7.117 4.195 ( 1.295 1.540 -1.274) 2.382 4.264 ( -0.346 -1.495 3.664) 3.973 4.526 ( -0.610 1.087 -3.274) 3.503 4.680 ( 3.473 -1.216 5.491) 6.610 4.750 ( -1.422 -2.497 -4.393) 5.249 4.868 ( 2.486 -1.390 -0.002) 2.849 5.011 ( 0.199 2.788 0.992) 2.966 5.109 ( -3.641 -2.777 1.088) 4.707 5.202 ( -3.602 -1.045 -1.116) 3.913 5.299 ( -5.283 1.751 0.301) 5.573 5.414 ( 2.292 3.094 -1.162) 4.022 5.537 ( 2.299 -1.846 0.535) 2.997 5.601 ( -0.767 -3.349 -1.102) 3.608 5.763 ( 1.169 3.368 -0.293) 3.577 5.882 ( 1.646 0.395 0.541) 1.778 6.107 ( -7.216 -3.235 2.471) 8.285 6.347 ( -0.461 0.782 1.749) 1.970 6.385 ( 7.946 5.029 -1.153) 9.474 6.581 ( 1.074 5.124 0.421) 5.253 6.698 ( 6.866 10.277 -3.364) 12.809 6.897 ( 3.914 -4.231 1.736) 6.020 7.081 ( 0.483 5.630 3.231) 6.509 7.198 ( 2.080 -0.539 -6.104) 6.471 7.338 ( 5.667 0.590 1.907) 6.009 7.436 ( 5.498 -4.700 -0.031) 7.233 7.969 ( 6.586 -1.637 -3.351) 7.569 8.053 ( 5.966 1.518 -1.271) 6.286 8.084 ( -2.746 -1.639 5.044) 5.973 8.295 ( 1.164 0.485 -3.489) 3.710 8.460 ( -4.262 -0.306 6.747) 7.986 8.722 ( 1.935 -0.875 -7.993) 8.270 8.996 ( -11.649 -4.680 5.769) 13.816 9.196 ( -1.546 -2.149 -2.638) 3.738 9.322 ( -7.763 -6.475 1.644) 10.242 9.561 ( 0.349 -1.239 5.382) 5.534 9.732 ( -2.667 3.086 0.769) 4.151 9.864 ( 1.748 1.510 -7.319) 7.675 10.424 ( -4.171 0.540 1.620) 4.507 10.714 ( 1.112 1.764 1.369) 2.494 10.798 ( 2.915 1.617 -1.110) 3.514 10.890 ( 5.081 4.875 -0.678) 7.074 11.054 ( -0.915 -0.740 -1.078) 1.596 11.207 ( 8.531 1.245 -0.538) 8.638 11.293 ( -1.653 -0.585 3.063) 3.530 11.401 ( 1.080 0.385 -2.685) 2.920 11.545 ( -7.823 3.013 1.587) 8.532 11.691 ( -4.708 -1.055 -0.296) 4.834 12.173 ( 0.431 -2.084 -0.869) 2.299 12.295 ( 1.340 -1.558 0.727) 2.180 12.635 ( -1.056 2.359 0.898) 2.736 12.695 ( -0.453 0.827 -0.740) 1.198 13.306 ( 1.146 3.000 0.844) 3.321 13.358 ( 0.585 3.907 -1.867) 4.370 13.570 ( -2.938 -7.746 1.998) 8.522 13.739 ( 1.463 -5.740 -1.152) 6.035 15.854 ( 1.149 0.414 2.769) 3.026 15.943 ( 2.292 -2.561 -2.667) 4.350 17.459 ( -5.655 -0.664 -0.421) 5.709 17.829 ( 5.837 -2.152 2.726) 6.792 17.997 ( 1.516 2.034 -1.530) 2.962 18.126 ( 0.741 5.344 -4.351) 6.931 18.401 ( -6.958 -1.594 5.344) 8.917 18.835 ( 6.648 -3.178 -3.354) 8.096 19.060 ( -3.757 2.250 1.603) 4.663 19.266 ( 2.632 0.338 0.198) 2.661 19.715 ( -5.653 -6.291 -0.315) 8.464 20.129 ( 8.189 -6.611 0.087) 10.525 21.274 ( -8.886 6.136 0.231) 10.801 21.755 ( 7.765 6.752 -0.648) 10.311 22.072 ( -2.289 -4.014 0.084) 4.622 22.159 ( -1.067 2.385 0.643) 2.691 22.348 ( -0.063 -0.204 3.800) 3.806 22.538 ( 3.806 0.451 -7.714) 8.614 22.922 ( -2.416 1.735 5.763) 6.485 23.026 ( -1.219 -2.211 -1.316) 2.847 23.347 ( -0.669 -2.138 1.954) 2.973 23.398 ( -1.538 -2.845 -2.810) 4.284 ======================= Grid point 192 (82/102) ======================= q-point: ( 0.45 0.45 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 6.228 0.000 -0.538) 6.251 1.495 ( 4.188 0.000 -1.387) 4.411 1.804 ( 11.741 0.000 1.904) 11.894 1.906 ( 1.017 0.000 2.448) 2.651 2.177 ( -4.980 -0.000 3.509) 6.092 2.255 ( -3.984 -0.000 -3.987) 5.636 2.276 ( -0.605 -0.000 3.965) 4.011 2.462 ( 3.182 0.000 -5.901) 6.704 2.536 ( -6.056 -0.000 2.880) 6.706 2.557 ( 0.920 0.000 -6.875) 6.937 2.817 ( 14.941 0.000 -1.125) 14.983 2.983 ( -1.438 -0.000 1.766) 2.277 3.045 ( -3.079 -0.000 -0.783) 3.177 3.063 ( -4.038 -0.000 2.228) 4.612 3.168 ( 7.177 0.000 -0.111) 7.178 3.297 ( -1.069 -0.000 -2.269) 2.508 3.399 ( -12.115 -0.000 11.030) 16.384 3.505 ( 6.806 0.000 -1.798) 7.040 3.555 ( 8.899 0.000 -11.951) 14.900 3.609 ( -7.117 -0.000 1.942) 7.377 3.700 ( -0.288 -0.000 2.722) 2.738 3.752 ( -3.577 -0.000 -0.358) 3.595 4.030 ( 6.393 0.000 5.932) 8.721 4.143 ( 10.781 0.000 -3.303) 11.276 4.285 ( -2.777 -0.000 4.505) 5.292 4.317 ( -5.085 -0.000 -1.018) 5.186 4.385 ( -1.935 -0.000 0.482) 1.994 4.534 ( 0.529 0.000 1.582) 1.668 4.599 ( -0.839 -0.000 -6.709) 6.761 4.614 ( 5.427 0.000 -0.461) 5.447 4.702 ( -11.207 -0.000 0.432) 11.216 4.770 ( -4.148 -0.000 -3.375) 5.348 4.956 ( 2.923 0.000 1.724) 3.393 4.997 ( -0.058 -0.000 -1.282) 1.283 5.007 ( -2.913 -0.000 0.915) 3.054 5.080 ( -3.250 -0.000 -1.698) 3.666 5.370 ( -11.872 -0.000 12.930) 17.554 5.498 ( 12.329 0.000 -9.409) 15.509 5.528 ( -1.695 -0.000 7.641) 7.827 5.762 ( -1.008 -0.000 -9.349) 9.403 6.194 ( -2.723 -0.000 3.961) 4.807 6.198 ( 4.321 0.000 -0.104) 4.322 6.414 ( -5.862 -0.000 3.953) 7.071 6.440 ( 7.288 0.000 -4.647) 8.644 7.045 ( 6.528 0.000 0.121) 6.529 7.195 ( -5.034 -0.000 -2.286) 5.529 7.241 ( 4.570 0.000 1.708) 4.878 7.292 ( -1.591 -0.000 0.954) 1.855 7.650 ( 3.479 0.000 -0.277) 3.490 7.776 ( -3.361 -0.000 -5.039) 6.057 8.029 ( 1.749 0.000 4.046) 4.408 8.271 ( -8.201 -0.000 -4.951) 9.580 8.325 ( 0.023 0.000 4.214) 4.214 8.410 ( 3.792 0.000 -3.090) 4.891 8.486 ( -7.264 -0.000 9.367) 11.853 8.626 ( 2.845 0.000 -6.975) 7.533 9.169 ( -7.706 -0.000 5.004) 9.188 9.206 ( 6.625 0.000 -6.120) 9.019 9.653 ( 6.084 0.000 -2.857) 6.722 9.712 ( -12.338 -0.000 3.666) 12.871 10.088 ( -1.554 -0.000 10.058) 10.177 10.278 ( 5.477 0.000 -4.900) 7.349 10.511 ( 7.652 0.000 -6.582) 10.093 10.536 ( -3.763 -0.000 -0.266) 3.772 10.802 ( -0.264 -0.000 6.193) 6.198 10.928 ( 3.371 0.000 -4.199) 5.385 11.343 ( 0.983 0.000 4.307) 4.418 11.448 ( 0.515 0.000 -1.295) 1.393 11.680 ( 9.178 0.000 -1.596) 9.316 11.708 ( -0.001 -0.000 -0.666) 0.666 11.799 ( 3.196 0.000 0.652) 3.262 11.886 ( -5.308 -0.000 0.106) 5.309 12.314 ( 1.613 0.000 0.477) 1.682 12.343 ( -0.549 -0.000 -0.601) 0.814 12.949 ( -1.810 -0.000 1.944) 2.657 13.005 ( -1.160 -0.000 -1.605) 1.980 13.679 ( 1.285 0.000 2.593) 2.894 13.691 ( 7.667 0.000 -0.604) 7.690 13.806 ( -4.931 -0.000 0.365) 4.944 13.869 ( -2.065 -0.000 -2.605) 3.324 15.648 ( -2.674 -0.000 2.909) 3.951 15.757 ( -6.228 -0.000 -2.496) 6.709 17.711 ( 3.625 0.000 0.101) 3.626 17.743 ( 1.742 0.000 -0.130) 1.746 18.426 ( 5.201 0.000 -1.129) 5.323 18.489 ( 5.523 0.000 2.413) 6.027 18.549 ( -7.676 -0.000 -0.578) 7.698 18.642 ( -5.781 -0.000 -0.261) 5.787 19.812 ( -0.779 -0.000 3.375) 3.464 19.897 ( -1.713 -0.000 -2.114) 2.722 20.507 ( -2.970 -0.000 7.099) 7.696 20.756 ( 4.489 0.000 -14.604) 15.279 21.026 ( -0.047 -0.000 10.701) 10.701 21.318 ( 6.615 0.000 -13.247) 14.807 21.976 ( -2.758 -0.000 11.512) 11.837 22.130 ( 3.236 0.000 -4.338) 5.412 22.169 ( -1.971 -0.000 8.140) 8.375 22.386 ( -1.897 -0.000 -5.030) 5.376 22.571 ( 2.290 0.000 3.146) 3.891 22.652 ( 3.144 0.000 -3.866) 4.983 22.810 ( -2.630 -0.000 0.533) 2.683 22.856 ( -3.942 -0.000 -1.137) 4.102 ======================= Grid point 193 (83/102) ======================= q-point: (-0.45 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -4.107 0.504 5.654) 7.006 1.621 ( 7.186 -6.761 -7.414) 12.341 1.731 ( -4.679 6.065 6.759) 10.216 1.915 ( 3.250 2.118 -6.546) 7.609 2.169 ( -2.728 -0.664 2.593) 3.821 2.241 ( 4.458 -0.896 -1.778) 4.883 2.339 ( -5.327 -5.276 4.838) 8.923 2.512 ( 3.078 -2.515 -3.985) 5.628 2.535 ( 0.787 -3.691 -1.075) 3.924 2.586 ( -0.027 -3.638 -2.646) 4.499 2.921 ( -10.995 -0.160 0.769) 11.023 2.958 ( 15.345 -2.139 -2.534) 15.699 3.047 ( -6.818 -2.168 2.858) 7.705 3.088 ( 2.655 -2.945 -0.421) 3.988 3.189 ( 0.046 1.752 2.608) 3.143 3.236 ( -3.734 1.647 -0.403) 4.101 3.375 ( -7.235 -2.674 7.369) 10.668 3.516 ( 2.359 2.380 0.739) 3.431 3.580 ( 1.896 0.522 -3.708) 4.197 3.588 ( 8.449 2.273 -8.946) 12.513 3.671 ( -4.204 2.852 3.917) 6.415 3.727 ( 1.557 0.218 -0.536) 1.661 4.074 ( 4.333 0.546 3.004) 5.301 4.149 ( -1.449 6.061 5.500) 8.312 4.172 ( -3.627 4.742 -2.323) 6.406 4.251 ( -3.603 4.493 -3.540) 6.760 4.401 ( 4.656 -0.126 3.955) 6.110 4.529 ( -2.564 1.105 -2.822) 3.969 4.580 ( -2.735 0.640 -0.588) 2.870 4.633 ( 3.657 1.678 -2.210) 4.590 4.686 ( -1.306 -2.525 0.568) 2.899 4.762 ( 4.588 -3.417 -5.178) 7.717 4.951 ( -5.465 0.219 1.161) 5.591 4.974 ( 5.660 -1.187 0.154) 5.785 5.089 ( -3.570 -2.163 2.028) 4.641 5.133 ( 2.912 -6.772 -2.215) 7.697 5.321 ( -5.709 -2.137 9.261) 11.087 5.456 ( -1.026 2.666 1.091) 3.058 5.665 ( 8.101 -6.025 -1.871) 10.268 5.761 ( -5.571 -3.113 -5.523) 8.440 6.169 ( -1.949 2.151 2.442) 3.793 6.221 ( 5.186 0.342 -2.493) 5.764 6.417 ( -4.267 -4.701 6.059) 8.777 6.540 ( 2.988 -5.870 -4.509) 7.983 7.068 ( 4.978 2.557 1.592) 5.818 7.127 ( -5.776 2.057 -3.562) 7.091 7.274 ( 2.934 -0.306 2.267) 3.720 7.294 ( -3.219 -1.716 0.304) 3.660 7.654 ( 3.142 2.619 1.344) 4.306 7.734 ( -1.782 1.250 -5.456) 5.874 8.053 ( 3.423 1.473 5.554) 6.689 8.193 ( -5.042 1.681 -5.805) 7.871 8.312 ( -0.846 1.942 4.663) 5.121 8.419 ( 1.346 0.438 -3.899) 4.148 8.472 ( -1.880 -1.010 5.718) 6.103 8.597 ( 1.967 3.788 -3.957) 5.821 9.117 ( -4.498 1.113 3.007) 5.524 9.217 ( 6.638 2.732 -5.618) 9.115 9.611 ( -7.322 3.502 4.098) 9.092 9.690 ( 6.628 1.351 -3.310) 7.531 10.068 ( -3.350 2.945 11.785) 12.601 10.311 ( 4.296 -0.901 -7.422) 8.623 10.444 ( -3.289 4.342 0.392) 5.461 10.533 ( 2.781 2.022 -4.971) 6.044 10.811 ( -2.497 -0.256 5.830) 6.347 10.926 ( 1.712 0.666 -4.211) 4.594 11.308 ( -0.211 4.623 4.114) 6.192 11.385 ( -0.690 5.534 -2.294) 6.030 11.740 ( 1.278 -3.476 -0.299) 3.716 11.758 ( -0.839 -2.651 -1.432) 3.128 11.848 ( 2.251 -2.183 2.548) 4.041 11.892 ( -2.327 -3.988 -1.350) 4.810 12.321 ( -2.013 0.747 0.060) 2.147 12.325 ( 2.164 0.859 -0.157) 2.333 12.972 ( 0.377 -2.640 2.266) 3.499 13.024 ( -0.173 -2.945 -2.050) 3.592 13.573 ( -0.048 12.472 3.497) 12.953 13.659 ( -0.533 11.353 -3.607) 11.924 13.735 ( 1.154 3.215 2.191) 4.058 13.789 ( -0.765 4.043 -2.312) 4.720 15.663 ( 0.191 -1.669 3.411) 3.802 15.742 ( -0.258 -1.793 -3.101) 3.592 17.677 ( 1.296 5.006 0.329) 5.181 17.686 ( -1.294 5.184 -0.420) 5.359 18.453 ( -6.384 3.080 1.902) 7.339 18.497 ( 7.852 -0.870 -1.903) 8.126 18.611 ( -0.634 -6.733 2.756) 7.303 18.673 ( -1.002 -7.601 -2.511) 8.068 19.686 ( -0.062 11.970 3.525) 12.478 19.764 ( -0.179 11.292 -2.953) 11.674 20.366 ( -1.386 14.231 8.819) 16.800 20.614 ( 2.096 14.390 -12.167) 18.961 21.175 ( -1.823 -12.301 8.299) 14.951 21.419 ( 4.676 -8.971 -12.971) 16.450 22.037 ( -3.534 -4.948 11.604) 13.100 22.133 ( -2.631 -0.114 4.042) 4.824 22.271 ( 4.427 -7.869 -3.004) 9.515 22.337 ( 0.444 2.934 -6.902) 7.513 22.592 ( -2.094 -2.089 5.192) 5.975 22.684 ( -0.155 -2.675 -2.118) 3.416 22.816 ( 1.112 -1.322 1.760) 2.466 22.876 ( -0.485 -4.159 -2.911) 5.100 ======================= Grid point 194 (84/102) ======================= q-point: (-0.36 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -8.399 -1.075 9.424) 12.669 1.620 ( -8.179 -2.265 5.473) 10.099 1.807 ( 6.534 -0.141 -12.743) 14.321 1.889 ( 4.282 -5.725 -7.729) 10.528 2.169 ( -3.206 -1.166 2.183) 4.050 2.299 ( 3.650 -2.552 -3.626) 5.743 2.385 ( -5.451 -2.822 5.119) 7.992 2.578 ( -4.551 -5.217 4.530) 8.273 2.633 ( 11.339 -1.029 -4.562) 12.266 2.649 ( -1.615 -3.232 0.094) 3.614 2.849 ( -9.041 -0.198 1.676) 9.197 3.036 ( -4.994 -2.610 1.446) 5.817 3.067 ( -0.704 -1.828 1.132) 2.262 3.168 ( 3.938 -2.182 0.083) 4.503 3.178 ( -2.069 -0.926 2.230) 3.180 3.208 ( 0.238 -1.671 -1.867) 2.517 3.396 ( -4.005 -2.128 2.580) 5.218 3.508 ( 2.493 -0.552 -0.093) 2.555 3.524 ( 2.899 4.743 -3.483) 6.560 3.576 ( 2.508 2.210 -4.073) 5.269 3.632 ( 0.515 1.310 3.136) 3.437 3.734 ( 3.135 1.304 -2.031) 3.956 3.991 ( -1.968 8.059 4.650) 9.510 4.030 ( -9.102 5.070 -0.306) 10.423 4.110 ( 6.370 3.501 -0.587) 7.293 4.144 ( -3.224 0.497 -1.831) 3.741 4.413 ( -2.129 5.048 -1.851) 5.783 4.468 ( 6.994 1.334 1.228) 7.225 4.566 ( 1.726 0.589 0.387) 1.864 4.613 ( 3.286 1.892 -2.697) 4.653 4.766 ( 1.054 -5.445 1.977) 5.888 4.868 ( -1.759 -4.122 -1.082) 4.610 4.964 ( 0.517 -4.783 0.159) 4.814 5.053 ( 2.588 -0.556 -0.568) 2.708 5.088 ( 0.632 -2.532 3.597) 4.444 5.241 ( 6.476 -1.545 -4.218) 7.882 5.408 ( -3.353 -7.721 3.530) 9.128 5.446 ( -2.313 -2.957 2.861) 4.720 5.757 ( -7.663 -3.485 -2.976) 8.929 5.813 ( 7.991 -3.213 -1.330) 8.715 6.113 ( -4.803 1.334 2.956) 5.796 6.251 ( 4.406 -0.308 -3.843) 5.854 6.515 ( -3.101 -6.286 6.611) 9.635 6.649 ( -0.180 -6.027 -5.071) 7.878 7.027 ( -5.604 3.146 -4.048) 7.595 7.040 ( 3.180 4.039 2.670) 5.793 7.289 ( -3.129 -0.629 2.069) 3.803 7.321 ( 0.075 -2.382 0.609) 2.460 7.606 ( 3.107 6.007 3.091) 7.436 7.673 ( 1.876 4.546 -6.024) 7.776 8.024 ( 0.657 4.559 4.213) 6.242 8.107 ( -0.936 4.354 -2.405) 5.061 8.286 ( 3.014 2.384 0.619) 3.893 8.382 ( 3.098 4.373 -6.040) 8.075 8.498 ( -3.741 -2.346 3.015) 5.347 8.577 ( 2.016 -2.138 2.283) 3.721 9.068 ( -1.636 2.877 1.264) 3.543 9.207 ( 5.957 1.480 -4.816) 7.802 9.481 ( -4.640 7.066 4.121) 9.404 9.664 ( 7.913 7.707 -3.849) 11.698 10.005 ( -6.018 2.123 12.340) 13.892 10.280 ( 0.004 4.343 -10.942) 11.772 10.404 ( -0.577 -0.986 3.959) 4.121 10.499 ( 1.530 0.964 -4.478) 4.829 10.791 ( -6.536 -0.500 4.125) 7.745 10.928 ( -0.052 -0.662 -3.018) 3.090 11.209 ( -3.167 5.348 1.844) 6.483 11.276 ( 1.721 5.517 -0.572) 5.807 11.758 ( -4.822 -1.369 -1.517) 5.237 11.783 ( 1.873 2.940 1.169) 3.677 11.906 ( -3.344 -3.395 0.204) 4.770 11.939 ( -1.926 -2.506 -0.141) 3.163 12.266 ( -2.949 2.235 0.344) 3.716 12.343 ( 3.616 0.451 -0.170) 3.648 13.052 ( 1.541 -4.423 2.122) 5.142 13.091 ( 1.000 -4.150 -2.215) 4.809 13.258 ( -6.863 17.844 2.754) 19.315 13.353 ( -2.216 18.383 -2.283) 18.656 13.687 ( 3.026 3.551 1.642) 4.946 13.733 ( 3.342 4.293 -2.150) 5.850 15.715 ( 1.395 -2.642 2.175) 3.695 15.796 ( 5.838 -1.851 -2.033) 6.453 17.543 ( -7.346 4.628 -0.133) 8.683 17.631 ( 4.499 3.282 0.018) 5.569 18.310 ( -11.919 4.617 2.110) 12.955 18.513 ( 7.950 5.230 -2.954) 9.964 18.701 ( -5.140 -4.022 3.493) 7.402 18.879 ( 9.775 -8.837 -3.190) 13.558 19.495 ( 0.404 8.765 3.721) 9.530 19.565 ( 1.718 7.709 -2.854) 8.398 20.060 ( -3.429 19.287 8.415) 21.320 20.260 ( 0.088 21.232 -9.465) 23.246 21.406 ( -3.522 -12.622 5.956) 14.394 21.610 ( 3.464 -10.524 -10.312) 15.136 22.035 ( -7.177 3.308 6.595) 10.293 22.178 ( -4.782 -6.442 8.027) 11.349 22.249 ( 4.291 5.695 -5.626) 9.083 22.444 ( 6.348 -5.404 -9.372) 12.544 22.636 ( -4.849 -4.550 6.147) 9.056 22.784 ( 1.910 -8.364 0.918) 8.628 22.898 ( 4.413 -5.233 2.444) 7.268 22.950 ( 0.690 -4.184 -3.675) 5.611 ======================= Grid point 195 (85/102) ======================= q-point: (-0.27 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -4.218 -6.305 3.398) 8.313 1.667 ( -9.407 -7.562 5.586) 13.300 1.776 ( 2.506 0.172 -9.810) 10.127 2.075 ( 5.487 -7.572 -4.958) 10.584 2.163 ( -5.262 -0.559 3.583) 6.390 2.366 ( 0.340 -3.399 -5.806) 6.737 2.417 ( -1.279 -4.628 2.313) 5.330 2.579 ( -5.335 2.674 6.325) 8.695 2.655 ( 1.028 1.490 0.907) 2.025 2.722 ( 4.186 -1.416 -0.342) 4.432 2.822 ( -6.436 -3.716 1.431) 7.569 3.059 ( -9.131 -2.758 2.926) 9.977 3.084 ( 4.708 -0.438 -0.171) 4.731 3.132 ( -3.873 0.041 -1.778) 4.262 3.244 ( 0.473 -2.198 -1.510) 2.709 3.273 ( 4.453 -1.459 -1.248) 4.850 3.355 ( -4.422 2.111 1.297) 5.069 3.483 ( 1.429 1.275 -4.934) 5.292 3.527 ( 0.961 3.378 0.443) 3.540 3.592 ( 2.460 -0.666 0.924) 2.711 3.624 ( 4.516 -2.721 -1.872) 5.595 3.733 ( 1.375 -0.272 -1.530) 2.075 3.834 ( -7.337 6.183 6.043) 11.339 3.931 ( -3.531 -0.158 0.404) 3.558 4.070 ( 8.111 3.455 -0.387) 8.825 4.189 ( 0.687 -3.314 -2.261) 4.070 4.302 ( 0.280 4.701 -0.921) 4.799 4.496 ( 3.074 0.812 3.790) 4.947 4.580 ( 8.633 1.872 -2.603) 9.209 4.621 ( 3.048 -0.237 -1.067) 3.238 4.858 ( -4.058 -3.274 0.882) 5.288 4.910 ( -0.532 -4.197 2.970) 5.169 5.053 ( -0.710 -1.380 3.186) 3.544 5.078 ( 1.110 -5.109 -1.739) 5.510 5.137 ( -0.036 -1.058 -2.314) 2.544 5.343 ( 9.811 -4.204 -5.197) 11.872 5.491 ( -3.075 -2.823 1.878) 4.577 5.517 ( -1.004 -4.319 3.280) 5.516 5.770 ( -5.640 -4.378 -1.977) 7.408 5.877 ( 4.712 1.077 0.939) 4.924 6.070 ( -6.198 -0.211 1.506) 6.382 6.278 ( 1.986 -0.916 -2.390) 3.240 6.598 ( -3.626 -4.150 6.604) 8.601 6.726 ( -1.502 -4.067 -6.965) 8.205 6.913 ( -5.047 4.291 -1.393) 6.770 7.009 ( 3.527 1.914 1.120) 4.166 7.261 ( -4.695 1.808 4.207) 6.558 7.344 ( -2.782 0.478 -1.617) 3.253 7.491 ( 4.309 8.847 2.617) 10.183 7.584 ( 4.973 6.833 -3.754) 9.247 7.953 ( 1.494 3.555 0.156) 3.860 8.025 ( 2.355 4.519 0.974) 5.188 8.256 ( 4.954 4.015 0.364) 6.387 8.341 ( 3.309 0.641 -7.960) 8.645 8.527 ( -2.308 -2.374 1.790) 3.764 8.653 ( 0.723 -2.655 4.387) 5.179 8.999 ( -1.500 3.424 1.300) 3.958 9.225 ( 4.630 1.107 -3.608) 5.973 9.314 ( -4.790 7.891 3.024) 9.714 9.541 ( 6.054 8.378 -1.540) 10.450 9.958 ( -6.814 1.338 8.816) 11.222 10.161 ( -2.675 5.153 -9.273) 10.941 10.408 ( -1.437 0.371 3.676) 3.964 10.541 ( 3.774 -3.868 -4.031) 6.742 10.781 ( -4.663 -3.084 2.080) 5.965 10.911 ( -4.734 0.079 -1.395) 4.936 11.099 ( -4.190 3.671 0.181) 5.574 11.229 ( 4.730 2.414 0.656) 5.351 11.665 ( -2.814 8.404 1.869) 9.058 11.722 ( -1.444 3.795 -1.805) 4.444 11.891 ( -7.244 0.354 -2.288) 7.605 11.904 ( -8.742 3.655 2.684) 9.848 12.224 ( 1.348 1.300 -0.530) 1.946 12.346 ( 3.087 2.374 0.477) 3.924 12.910 ( -6.701 12.233 0.231) 13.950 12.991 ( -2.898 14.573 -0.210) 14.860 13.174 ( 0.302 -6.173 1.955) 6.482 13.204 ( -0.435 -5.198 -1.478) 5.422 13.638 ( 4.149 6.131 1.275) 7.512 13.684 ( 5.485 3.338 -2.008) 6.728 15.785 ( 3.018 -2.939 -0.466) 4.238 15.862 ( 6.807 0.024 0.502) 6.825 17.436 ( -7.012 0.865 -0.096) 7.066 17.635 ( 5.612 0.425 0.159) 5.630 18.143 ( -11.131 3.955 0.869) 11.845 18.445 ( 6.132 6.898 -2.017) 9.447 18.673 ( -7.713 2.651 2.608) 8.563 18.995 ( 7.908 3.228 -2.950) 9.036 19.409 ( -1.561 2.685 4.695) 5.629 19.581 ( 5.495 -3.809 -0.571) 6.710 19.689 ( -5.305 14.489 -1.024) 15.464 19.888 ( 3.224 18.806 -1.993) 19.185 21.563 ( -7.477 -6.617 2.990) 10.423 21.744 ( -2.363 -3.805 -2.460) 5.110 21.958 ( -1.528 -1.789 -1.603) 2.847 22.158 ( 3.322 5.927 -2.131) 7.120 22.283 ( -2.132 -5.081 7.213) 9.077 22.506 ( 1.701 -0.911 -6.966) 7.228 22.727 ( -2.053 -6.873 5.312) 8.925 22.955 ( 5.686 -3.841 -2.947) 7.468 23.035 ( 1.055 -7.765 -1.467) 7.972 23.060 ( 5.178 -7.015 2.531) 9.079 ======================= Grid point 196 (86/102) ======================= q-point: (-0.18 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.062 -7.856 -2.286) 8.183 1.745 ( -3.466 -6.091 -1.480) 7.163 1.814 ( 0.150 -3.327 -3.380) 4.745 2.104 ( -10.472 -1.065 7.099) 12.696 2.197 ( 3.628 -0.381 0.517) 3.684 2.362 ( -7.294 0.837 1.383) 7.471 2.506 ( -1.698 -4.128 2.839) 5.290 2.566 ( 5.283 -0.836 -4.000) 6.679 2.614 ( 1.287 1.961 -1.280) 2.673 2.743 ( 2.296 -0.040 3.727) 4.378 2.864 ( -4.776 -3.986 -1.371) 6.370 3.013 ( -4.291 1.376 0.381) 4.522 3.082 ( -3.582 0.494 -1.489) 3.910 3.165 ( 1.560 -3.244 1.544) 3.917 3.202 ( 2.529 4.593 -2.069) 5.636 3.326 ( -1.008 -1.076 0.217) 1.490 3.348 ( -0.005 -2.130 0.667) 2.232 3.449 ( 0.517 2.340 -6.359) 6.795 3.479 ( 1.419 2.614 4.170) 5.122 3.606 ( 3.113 -1.900 -4.994) 6.184 3.668 ( -2.283 2.185 2.020) 3.751 3.751 ( 0.861 -0.354 0.430) 1.025 3.796 ( -0.195 -4.837 1.663) 5.118 3.956 ( -1.881 -3.557 1.824) 4.418 4.095 ( 7.262 0.869 -0.959) 7.377 4.219 ( 0.671 -0.027 0.795) 1.041 4.273 ( 5.690 1.434 -1.692) 6.107 4.521 ( -2.184 -2.445 5.127) 6.085 4.601 ( 6.408 1.235 -6.052) 8.900 4.654 ( 3.851 -0.544 2.065) 4.403 4.852 ( -3.209 -0.541 0.450) 3.285 4.994 ( 0.318 -3.551 -0.215) 3.572 5.074 ( -0.974 -0.865 2.830) 3.116 5.152 ( 0.886 -1.600 -2.052) 2.748 5.195 ( 0.385 -6.447 0.961) 6.530 5.426 ( 0.332 -1.221 -4.718) 4.885 5.507 ( -0.586 -0.311 0.588) 0.886 5.566 ( 2.365 -0.516 0.637) 2.503 5.815 ( -3.119 -4.004 -0.167) 5.078 5.883 ( 3.581 1.917 3.421) 5.311 6.020 ( -6.892 -0.296 -1.002) 6.971 6.310 ( 0.381 -1.804 1.176) 2.186 6.648 ( -3.503 -3.014 3.973) 6.094 6.690 ( -0.511 5.881 -8.896) 10.677 6.821 ( -4.015 1.425 3.218) 5.339 7.048 ( 2.872 -3.254 -1.723) 4.670 7.127 ( -2.227 10.765 5.057) 12.101 7.257 ( -4.739 2.495 -3.075) 6.176 7.440 ( 3.968 2.867 1.049) 5.006 7.479 ( 6.240 7.763 -1.074) 10.017 7.944 ( 5.169 0.067 -2.674) 5.820 7.998 ( 3.562 1.459 3.284) 5.059 8.239 ( 5.924 2.746 0.646) 6.561 8.332 ( 1.172 1.994 -5.502) 5.968 8.526 ( -1.643 1.599 -0.949) 2.482 8.685 ( -3.946 -2.180 4.358) 6.271 8.930 ( -0.707 3.699 -0.947) 3.884 9.176 ( -1.068 3.719 1.973) 4.344 9.204 ( -3.126 0.850 0.421) 3.267 9.518 ( 6.081 -0.063 0.608) 6.111 9.874 ( -8.043 3.417 5.673) 10.419 10.015 ( -3.697 5.880 -8.235) 10.773 10.405 ( -1.831 -0.669 2.356) 3.058 10.643 ( 4.696 -4.280 -3.797) 7.402 10.832 ( 0.292 -1.683 2.840) 3.314 10.886 ( -3.760 -3.589 -1.812) 5.504 11.020 ( -4.411 1.548 0.408) 4.692 11.249 ( 4.879 0.117 0.778) 4.942 11.482 ( -2.656 9.129 3.108) 10.003 11.578 ( -2.633 9.738 -2.725) 10.450 11.723 ( -12.489 5.194 0.862) 13.553 11.798 ( -6.721 3.854 -0.878) 7.797 12.210 ( 2.128 2.416 -1.510) 3.556 12.312 ( 1.838 2.928 1.805) 3.900 12.733 ( -3.923 3.802 -0.430) 5.480 12.775 ( -3.551 6.312 0.282) 7.248 13.272 ( -1.377 -5.063 -2.338) 5.744 13.317 ( 0.152 -6.474 3.126) 7.191 13.546 ( 3.221 6.720 -0.588) 7.475 13.679 ( 6.867 2.378 -0.402) 7.278 15.854 ( 3.597 -2.201 -2.635) 4.972 15.892 ( 4.125 1.303 2.656) 5.076 17.405 ( -4.392 -1.707 -0.099) 4.713 17.701 ( 7.125 -2.422 0.608) 7.550 18.027 ( -7.299 1.089 -1.013) 7.449 18.369 ( 5.225 5.696 -1.500) 7.873 18.513 ( -11.152 7.123 3.154) 13.604 18.934 ( 3.255 6.103 -1.720) 7.127 19.284 ( -6.716 9.360 3.544) 12.053 19.411 ( -5.228 4.955 -2.962) 7.788 19.657 ( 4.500 7.921 -0.537) 9.126 19.851 ( 14.275 -8.637 0.316) 16.688 21.484 ( -13.752 4.494 0.982) 14.501 21.797 ( -2.149 -4.923 1.929) 5.708 22.050 ( 4.340 -2.699 -3.927) 6.445 22.084 ( 2.941 1.833 -3.147) 4.682 22.349 ( -2.659 -1.891 8.436) 9.045 22.508 ( 0.752 -0.712 -5.566) 5.662 22.854 ( -1.044 -6.739 4.229) 8.024 22.988 ( 2.365 0.927 -2.849) 3.817 23.210 ( 4.089 -7.482 -0.902) 8.574 23.214 ( 4.247 -5.357 1.042) 6.916 ======================= Grid point 197 (87/102) ======================= q-point: (-0.09 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.757 -0.485 2.895) 3.031 1.802 ( -3.406 2.355 1.847) 4.534 1.837 ( 4.901 -4.087 -12.381) 13.929 2.118 ( -8.984 -6.775 8.101) 13.864 2.163 ( 4.788 6.845 0.739) 8.386 2.335 ( -2.299 -2.899 -0.381) 3.719 2.437 ( -0.071 7.686 1.403) 7.813 2.587 ( -0.313 -2.515 -2.043) 3.255 2.695 ( 2.342 -2.114 -0.407) 3.181 2.784 ( 2.938 -1.809 3.089) 4.631 2.900 ( -0.164 -1.253 0.522) 1.367 2.999 ( -4.174 -2.227 -1.452) 4.948 3.029 ( 1.153 2.476 -2.728) 3.861 3.153 ( -3.718 -1.767 1.895) 4.531 3.220 ( -1.894 6.611 -2.746) 7.405 3.251 ( 1.753 -2.030 2.711) 3.814 3.346 ( -1.017 2.767 -0.546) 2.998 3.461 ( -3.520 -2.999 1.763) 4.949 3.512 ( 7.387 -0.872 -2.485) 7.842 3.595 ( -2.367 1.650 -0.179) 2.891 3.673 ( 0.660 -3.473 -0.897) 3.647 3.779 ( 1.194 0.073 -1.607) 2.003 3.856 ( 2.486 -1.421 2.185) 3.602 4.003 ( -0.751 -1.684 -0.313) 1.870 4.148 ( 5.836 -1.342 -2.539) 6.505 4.208 ( -2.201 1.368 2.686) 3.732 4.285 ( 6.335 1.641 -1.293) 6.671 4.523 ( -6.507 1.040 1.636) 6.790 4.644 ( -0.155 -5.041 -0.085) 5.045 4.709 ( 6.006 -1.156 0.687) 6.155 4.863 ( 2.235 -1.177 -0.119) 2.528 5.034 ( -1.252 -1.466 -2.791) 3.392 5.074 ( -0.507 1.002 2.612) 2.843 5.169 ( -1.266 -0.209 1.764) 2.181 5.272 ( -3.520 -1.324 -1.703) 4.128 5.449 ( 0.256 -2.201 0.175) 2.223 5.507 ( 1.405 -1.757 0.564) 2.320 5.573 ( 2.044 1.271 -2.758) 3.661 5.842 ( 2.275 3.853 0.176) 4.477 5.855 ( -3.725 -2.043 1.883) 4.647 6.022 ( -2.761 -2.711 0.778) 3.947 6.346 ( 0.321 -1.199 1.813) 2.197 6.543 ( 3.027 7.230 -3.609) 8.629 6.643 ( -3.243 1.779 -0.564) 3.742 6.822 ( -3.004 -3.837 3.735) 6.139 6.941 ( 4.000 10.314 -1.236) 11.131 7.120 ( -1.390 -3.531 -1.549) 4.099 7.171 ( -2.672 3.272 0.100) 4.226 7.427 ( 4.532 0.023 0.799) 4.602 7.439 ( 6.242 3.332 -0.978) 7.143 7.996 ( 8.104 -0.977 -4.371) 9.259 8.038 ( 2.636 -1.955 4.320) 5.425 8.189 ( 2.192 7.572 0.407) 7.894 8.287 ( 0.006 0.213 -0.393) 0.447 8.463 ( -5.952 1.415 -0.357) 6.128 8.713 ( -1.905 -2.302 0.531) 3.035 8.857 ( -3.659 1.418 -2.067) 4.435 9.161 ( 0.058 -1.206 0.878) 1.493 9.201 ( -2.763 -2.380 1.559) 3.966 9.569 ( 3.135 -0.334 3.288) 4.555 9.764 ( -6.512 3.296 4.033) 8.339 9.889 ( -1.653 3.093 -7.832) 8.581 10.406 ( -1.681 -0.281 0.942) 1.947 10.720 ( 1.945 -1.548 -2.031) 3.210 10.847 ( 1.696 0.472 1.229) 2.148 10.956 ( 1.957 -2.060 0.950) 2.996 10.999 ( -1.223 -2.513 -1.965) 3.416 11.279 ( 0.522 0.021 2.620) 2.672 11.333 ( 1.910 6.741 1.716) 7.214 11.412 ( -2.849 3.165 -3.366) 5.428 11.556 ( -9.257 4.346 0.173) 10.227 11.679 ( -4.286 3.567 0.198) 5.580 12.170 ( 0.508 1.708 -1.530) 2.349 12.296 ( 0.735 0.508 2.107) 2.289 12.667 ( -1.216 2.002 -0.764) 2.463 12.699 ( -1.888 0.837 0.360) 2.097 13.329 ( -0.240 -2.221 -0.701) 2.341 13.415 ( -2.912 -2.182 0.165) 3.643 13.464 ( 3.197 2.193 0.339) 3.892 13.700 ( 4.295 -0.185 0.095) 4.300 15.884 ( 1.933 1.263 1.082) 2.550 15.915 ( 2.043 -1.653 -1.092) 2.846 17.411 ( -2.538 -1.364 -0.139) 2.884 17.827 ( 7.900 -4.189 2.462) 9.275 17.987 ( -1.907 -1.175 -3.593) 4.234 18.233 ( -6.201 9.515 -2.434) 11.615 18.381 ( -2.784 0.925 4.829) 5.650 18.858 ( 2.092 2.835 -2.285) 4.199 19.113 ( -3.570 5.477 1.898) 6.808 19.303 ( -1.265 3.091 -0.581) 3.390 19.627 ( 0.618 -0.564 -0.380) 0.919 20.087 ( 10.665 -5.991 0.136) 12.233 21.300 ( -10.425 4.622 0.513) 11.415 21.857 ( 0.535 -1.313 0.473) 1.495 22.022 ( 1.799 1.653 -1.359) 2.796 22.159 ( 1.185 -2.503 -1.867) 3.340 22.352 ( -1.731 0.409 5.288) 5.579 22.531 ( 1.690 -1.720 -4.741) 5.319 22.956 ( -1.227 -4.398 2.505) 5.208 22.963 ( 0.522 2.456 0.286) 2.527 23.312 ( 2.299 -2.662 0.370) 3.537 23.333 ( 1.649 -3.744 -1.407) 4.326 ======================= Grid point 204 (88/102) ======================= q-point: (-0.45 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.551 0.000 -4.384) 4.418 1.519 ( 0.273 0.000 -2.276) 2.292 1.780 ( -15.229 -0.000 2.110) 15.374 1.833 ( -12.280 -0.000 8.334) 14.841 2.207 ( 8.895 0.000 1.534) 9.026 2.255 ( 3.476 0.000 -3.217) 4.736 2.304 ( -1.073 -0.000 4.694) 4.815 2.452 ( 0.805 0.000 -9.366) 9.400 2.480 ( -2.088 -0.000 1.733) 2.713 2.606 ( 9.460 0.000 -3.923) 10.241 2.845 ( -6.830 -0.000 -3.171) 7.530 2.962 ( -11.898 -0.000 3.200) 12.321 3.058 ( 14.459 0.000 -1.757) 14.565 3.061 ( -2.361 -0.000 0.968) 2.552 3.210 ( -4.971 -0.000 6.445) 8.139 3.221 ( -5.694 -0.000 -3.862) 6.880 3.297 ( -2.797 -0.000 8.634) 9.076 3.531 ( -2.815 -0.000 -3.288) 4.328 3.585 ( 3.709 0.000 -4.679) 5.971 3.683 ( 7.407 0.000 -2.868) 7.942 3.704 ( -0.914 -0.000 3.657) 3.769 3.745 ( 8.818 0.000 -2.682) 9.217 4.028 ( -13.603 -0.000 5.076) 14.519 4.200 ( -2.332 -0.000 -6.943) 7.324 4.229 ( -4.422 -0.000 3.964) 5.938 4.270 ( 2.503 0.000 5.027) 5.616 4.427 ( 4.825 0.000 2.560) 5.462 4.528 ( -1.238 -0.000 -0.540) 1.351 4.581 ( 0.431 0.000 -5.794) 5.810 4.612 ( -0.755 -0.000 -0.872) 1.153 4.730 ( 10.629 0.000 0.654) 10.649 4.778 ( 7.849 0.000 -5.579) 9.629 4.961 ( -2.036 -0.000 1.446) 2.498 4.990 ( -1.467 -0.000 -1.149) 1.864 5.041 ( 5.093 0.000 2.197) 5.547 5.055 ( 2.214 0.000 -3.059) 3.776 5.272 ( -7.476 -0.000 10.525) 12.910 5.524 ( -3.416 -0.000 9.932) 10.503 5.631 ( 10.964 0.000 -9.965) 14.816 5.676 ( -6.184 -0.000 -4.767) 7.809 6.192 ( 0.907 0.000 0.894) 1.273 6.272 ( 4.987 0.000 -2.773) 5.707 6.324 ( -7.473 -0.000 5.347) 9.189 6.491 ( 1.234 0.000 -2.604) 2.881 7.087 ( -7.224 -0.000 -3.571) 8.059 7.133 ( 3.780 0.000 3.105) 4.892 7.256 ( -3.163 -0.000 -0.067) 3.164 7.285 ( 0.237 0.000 1.597) 1.615 7.707 ( 3.398 0.000 1.093) 3.569 7.722 ( 0.469 0.000 -6.470) 6.487 8.122 ( 6.441 0.000 7.077) 9.569 8.162 ( -2.512 -0.000 -7.075) 7.508 8.327 ( -1.956 -0.000 4.151) 4.589 8.400 ( -2.592 -0.000 0.072) 2.593 8.468 ( -1.036 -0.000 4.441) 4.560 8.670 ( 6.691 0.000 -6.111) 9.061 9.099 ( -3.839 -0.000 3.088) 4.927 9.286 ( 6.686 0.000 -5.113) 8.417 9.603 ( -3.305 -0.000 1.895) 3.810 9.755 ( 8.865 0.000 -0.591) 8.885 10.098 ( -3.539 -0.000 9.792) 10.412 10.300 ( 0.817 0.000 -5.086) 5.151 10.428 ( -9.168 -0.000 -2.624) 9.536 10.591 ( 5.946 0.000 -3.706) 7.007 10.806 ( -3.277 -0.000 6.314) 7.114 10.923 ( -1.473 -0.000 -4.442) 4.680 11.369 ( 0.065 0.000 5.246) 5.247 11.422 ( -2.512 -0.000 -2.239) 3.365 11.670 ( -6.124 -0.000 -1.010) 6.206 11.719 ( -4.399 -0.000 -0.986) 4.508 11.819 ( -1.890 -0.000 -1.272) 2.278 11.864 ( 5.128 0.000 1.974) 5.494 12.327 ( -0.161 -0.000 0.704) 0.723 12.333 ( -0.384 -0.000 -0.991) 1.062 12.961 ( 2.090 0.000 2.094) 2.959 12.997 ( 1.201 0.000 -1.974) 2.311 13.661 ( -5.254 -0.000 1.650) 5.507 13.731 ( -3.851 -0.000 -0.947) 3.966 13.805 ( 5.802 0.000 1.882) 6.100 13.845 ( 1.149 0.000 -2.696) 2.931 15.680 ( 5.442 0.000 3.841) 6.661 15.723 ( 3.130 0.000 -3.389) 4.613 17.721 ( -4.506 -0.000 -0.706) 4.561 17.733 ( -0.993 -0.000 0.740) 1.238 18.411 ( -8.210 -0.000 0.030) 8.210 18.490 ( 2.364 0.000 1.390) 2.742 18.585 ( 0.035 0.000 -2.653) 2.653 18.621 ( 8.701 0.000 1.550) 8.838 19.827 ( 0.939 0.000 3.751) 3.867 19.883 ( 1.046 0.000 -2.552) 2.758 20.498 ( -2.833 -0.000 7.423) 7.946 20.743 ( 2.328 0.000 -13.384) 13.585 21.047 ( -3.299 -0.000 10.430) 10.940 21.332 ( 3.928 0.000 -15.826) 16.306 21.979 ( -3.369 -0.000 10.546) 11.071 22.145 ( 1.124 0.000 -4.158) 4.307 22.189 ( -0.974 -0.000 11.095) 11.138 22.342 ( -0.337 -0.000 -6.389) 6.398 22.569 ( -4.045 -0.000 2.905) 4.980 22.651 ( -1.682 -0.000 -3.413) 3.805 22.830 ( 4.363 0.000 1.119) 4.504 22.836 ( 2.629 0.000 -1.725) 3.144 ======================= Grid point 205 (89/102) ======================= q-point: (-0.36 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -8.143 3.115 3.614) 9.438 1.567 ( -13.184 2.421 3.191) 13.779 1.705 ( 2.891 -9.465 -8.696) 13.175 1.788 ( -16.530 -2.858 1.580) 16.849 2.217 ( 6.738 5.325 -2.873) 9.056 2.282 ( 2.856 -1.025 -3.390) 4.549 2.306 ( -5.596 -3.245 7.451) 9.867 2.491 ( -1.268 -2.484 2.245) 3.580 2.554 ( 3.185 -6.610 -2.019) 7.610 2.683 ( 9.093 -1.572 -5.504) 10.744 2.798 ( -2.836 0.952 -2.557) 3.936 2.893 ( -15.107 -3.159 3.962) 15.934 3.037 ( -6.133 -1.182 0.543) 6.269 3.126 ( -1.181 -2.291 3.159) 4.077 3.172 ( -6.770 0.815 -0.935) 6.882 3.217 ( 8.615 -0.301 -0.541) 8.637 3.334 ( 0.597 -2.531 5.758) 6.318 3.500 ( -1.448 0.438 -3.676) 3.976 3.594 ( -2.601 -0.122 1.831) 3.183 3.660 ( 4.152 5.703 -2.123) 7.367 3.683 ( 3.483 2.361 -1.475) 4.459 3.809 ( 9.431 1.933 -1.727) 9.781 3.972 ( -12.129 -3.374 1.736) 12.709 4.086 ( -3.254 5.311 -4.950) 7.956 4.144 ( -5.364 6.242 6.559) 10.524 4.275 ( 5.402 4.759 1.192) 7.298 4.477 ( -0.094 0.225 -2.371) 2.384 4.500 ( 5.441 0.510 0.501) 5.487 4.567 ( 1.010 -0.428 -0.460) 1.189 4.658 ( 2.862 -1.672 -2.997) 4.469 4.788 ( 3.866 1.977 -1.667) 4.651 4.817 ( 7.689 0.812 1.170) 7.819 4.907 ( 1.822 -1.646 0.401) 2.488 5.066 ( 1.312 -0.881 -1.049) 1.897 5.075 ( 6.574 -2.181 0.819) 6.975 5.184 ( 1.990 -9.174 -0.678) 9.412 5.270 ( -2.766 -2.670 4.994) 6.303 5.457 ( -0.605 3.903 4.481) 5.973 5.634 ( -8.422 -2.609 -1.089) 8.884 5.778 ( 8.403 -6.300 -4.500) 11.426 6.130 ( -4.038 4.134 0.766) 5.830 6.286 ( 2.568 0.662 -1.993) 3.318 6.376 ( -2.046 -6.423 4.010) 7.843 6.536 ( -1.320 -4.744 -2.664) 5.599 7.012 ( -6.896 1.396 -3.573) 7.891 7.130 ( 0.790 2.823 4.019) 4.974 7.239 ( -3.380 -0.677 -1.285) 3.678 7.296 ( -1.445 -1.406 3.134) 3.727 7.694 ( 2.540 2.244 -2.705) 4.336 7.736 ( 4.449 0.892 -3.979) 6.035 8.110 ( 0.307 3.160 -3.749) 4.913 8.166 ( 3.199 1.889 5.948) 7.013 8.315 ( -1.197 0.472 0.936) 1.591 8.397 ( 0.179 -1.222 -0.565) 1.358 8.491 ( 0.224 -1.814 4.146) 4.531 8.637 ( 4.954 6.644 -2.371) 8.620 9.092 ( -0.174 -0.177 0.572) 0.624 9.282 ( 3.308 3.309 -2.474) 5.293 9.574 ( 2.684 3.514 -0.578) 4.459 9.816 ( 10.179 1.739 -0.025) 10.326 10.036 ( -7.292 4.606 9.259) 12.654 10.298 ( -1.240 0.838 -10.817) 10.920 10.358 ( -7.006 -2.089 3.311) 8.026 10.568 ( 3.248 4.903 -3.691) 6.944 10.767 ( -6.052 1.961 4.843) 7.995 10.902 ( -2.334 -0.548 -2.495) 3.459 11.287 ( -4.741 6.218 1.662) 7.994 11.375 ( 0.057 4.142 0.341) 4.157 11.646 ( -8.582 -4.143 -0.499) 9.543 11.743 ( -4.638 -5.737 -0.344) 7.386 11.842 ( -2.806 -3.008 -1.694) 4.449 11.900 ( 2.967 0.575 1.937) 3.590 12.291 ( -1.029 2.152 -0.341) 2.409 12.353 ( 0.972 -1.150 0.168) 1.515 13.005 ( 2.445 -2.257 1.048) 3.489 13.033 ( 2.375 -2.870 -1.166) 3.904 13.486 ( -9.355 12.641 0.857) 15.749 13.625 ( -7.489 12.690 0.432) 14.741 13.757 ( 6.327 2.433 -1.022) 6.855 13.852 ( 5.783 3.611 -0.175) 6.820 15.720 ( 5.893 0.266 1.225) 6.025 15.806 ( 9.621 -3.115 -0.809) 10.145 17.595 ( -7.942 6.895 -0.144) 10.519 17.700 ( -0.809 2.159 0.160) 2.311 18.276 ( -13.708 3.827 0.700) 14.250 18.615 ( 5.886 -1.730 -0.896) 6.200 18.626 ( 0.473 -2.313 0.112) 2.364 18.749 ( 11.876 -10.992 0.440) 16.189 19.718 ( 2.110 11.882 3.798) 12.652 19.763 ( 1.609 11.537 -2.953) 12.017 20.359 ( -4.789 14.199 7.018) 16.547 20.575 ( -0.104 15.349 -10.434) 18.560 21.166 ( -4.165 -11.568 7.695) 14.504 21.412 ( 2.454 -9.561 -14.471) 17.517 22.011 ( -6.521 -2.768 10.789) 12.907 22.092 ( -4.716 1.196 3.195) 5.821 22.325 ( 2.466 1.062 -5.718) 6.317 22.351 ( 6.871 -9.297 -2.366) 11.799 22.557 ( -4.464 -2.235 4.787) 6.917 22.657 ( -2.283 -4.442 -0.368) 5.008 22.872 ( 5.368 -2.003 -0.206) 5.733 22.903 ( 4.545 -2.749 -1.131) 5.430 ======================= Grid point 206 (90/102) ======================= q-point: (-0.27 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -10.451 -2.974 5.483) 12.171 1.482 ( -11.882 -3.717 2.630) 12.724 1.725 ( -12.604 -3.240 -1.651) 13.118 1.919 ( 3.389 -11.831 -7.793) 14.566 2.166 ( 2.321 3.332 -1.963) 4.510 2.297 ( -3.890 -1.127 -5.671) 6.969 2.343 ( -2.884 -3.910 3.023) 5.722 2.545 ( -1.798 -3.864 3.018) 5.222 2.651 ( 1.034 -1.741 2.685) 3.363 2.741 ( 1.512 -0.323 -1.177) 1.943 2.762 ( -2.723 -0.450 1.833) 3.313 2.891 ( -9.744 -6.189 1.714) 11.670 3.037 ( -8.564 -2.759 -0.604) 9.017 3.115 ( 0.983 -0.320 -0.427) 1.118 3.189 ( 0.111 -4.042 1.157) 4.206 3.271 ( 2.031 -1.057 1.353) 2.659 3.393 ( 1.489 1.534 -1.685) 2.722 3.494 ( 0.556 -2.993 -1.031) 3.214 3.512 ( -3.268 4.276 3.067) 6.194 3.642 ( 2.652 0.327 -1.516) 3.072 3.664 ( 5.359 3.080 -2.338) 6.608 3.784 ( 2.582 4.396 -0.402) 5.114 3.894 ( -6.207 4.181 -2.775) 7.982 3.982 ( -1.232 6.320 3.085) 7.140 4.069 ( -4.088 -4.482 0.885) 6.131 4.222 ( 6.846 5.382 0.837) 8.748 4.404 ( 2.765 5.341 -2.787) 6.628 4.574 ( 6.861 2.041 0.698) 7.192 4.593 ( 1.574 -1.931 -0.100) 2.494 4.689 ( 6.743 -0.503 -1.186) 6.865 4.792 ( -4.423 -3.247 1.751) 5.760 4.869 ( 8.118 0.655 -0.512) 8.160 4.988 ( 2.360 -4.190 0.656) 4.853 5.063 ( -0.653 1.381 1.186) 1.934 5.133 ( 2.688 -0.328 -1.106) 2.925 5.344 ( 8.749 -2.991 -3.962) 10.060 5.370 ( 0.346 -9.410 -0.111) 9.417 5.447 ( -2.619 -2.284 5.578) 6.572 5.640 ( -6.120 -4.355 1.042) 7.583 5.910 ( 5.322 -1.956 -1.513) 5.868 6.039 ( -5.313 1.323 0.347) 5.486 6.279 ( 0.003 0.477 -0.977) 1.087 6.487 ( -2.815 -6.091 3.997) 7.811 6.602 ( -2.985 -4.907 -4.594) 7.355 6.924 ( -6.138 2.286 -2.280) 6.936 7.083 ( 0.182 2.887 2.923) 4.112 7.219 ( -4.592 -0.733 -1.399) 4.856 7.323 ( -2.083 -1.623 4.494) 5.212 7.661 ( 2.670 3.946 0.268) 4.772 7.704 ( 5.073 5.490 -6.892) 10.168 8.040 ( 1.905 4.126 -0.958) 4.645 8.131 ( 1.326 4.900 5.700) 7.633 8.306 ( -1.726 -1.255 -3.180) 3.829 8.415 ( 6.510 3.853 -4.102) 8.605 8.505 ( 3.713 1.087 1.081) 4.017 8.606 ( -1.224 -2.228 5.127) 5.723 9.068 ( 0.924 3.641 -0.311) 3.769 9.246 ( 0.155 1.106 0.975) 1.483 9.496 ( 6.559 8.908 -2.669) 11.380 9.777 ( 7.781 11.400 -2.443) 14.016 9.927 ( -10.096 0.489 9.891) 14.142 10.195 ( -4.595 4.080 -9.757) 11.531 10.402 ( -2.642 -2.545 5.163) 6.334 10.511 ( 2.614 0.551 -4.445) 5.187 10.703 ( -6.001 -0.552 1.613) 6.238 10.881 ( -4.145 0.426 -0.032) 4.167 11.139 ( -6.367 5.105 -0.007) 8.161 11.305 ( 0.655 3.335 1.556) 3.738 11.664 ( -6.649 -3.120 -1.048) 7.419 11.787 ( -2.985 -0.704 -0.740) 3.155 11.811 ( -6.563 2.010 -0.161) 6.866 11.898 ( -3.778 0.710 1.532) 4.138 12.258 ( 1.914 1.312 -0.516) 2.377 12.379 ( 1.142 -0.436 0.497) 1.320 13.068 ( -1.659 -0.233 -2.419) 2.942 13.112 ( -1.388 -1.197 2.562) 3.150 13.139 ( -4.524 10.500 0.814) 11.462 13.265 ( -8.396 18.015 -0.266) 19.877 13.772 ( 7.323 2.074 -0.093) 7.611 13.801 ( 5.772 6.428 -0.649) 8.663 15.777 ( 6.259 -1.322 -0.515) 6.418 15.924 ( 10.601 -0.602 0.643) 10.637 17.420 ( -8.608 4.077 -0.030) 9.525 17.674 ( 1.222 0.550 -0.017) 1.340 18.103 ( -15.605 2.837 0.382) 15.865 18.596 ( 3.879 5.132 -0.758) 6.478 18.670 ( 0.851 0.380 0.916) 1.307 19.056 ( 12.950 -6.486 -0.194) 14.484 19.539 ( 3.098 9.545 4.647) 11.059 19.598 ( 4.301 4.252 -2.812) 6.670 19.959 ( -12.159 21.950 -0.273) 25.095 20.238 ( 0.501 18.654 -3.002) 18.900 21.358 ( -6.202 -11.027 4.679) 13.489 21.590 ( -0.613 -10.178 -9.716) 14.085 21.937 ( -7.999 2.634 4.518) 9.557 22.139 ( -4.852 -5.928 7.418) 10.663 22.296 ( 4.432 3.214 -4.493) 7.082 22.479 ( 1.688 -2.177 -5.294) 5.968 22.624 ( 1.253 -5.018 2.765) 5.865 22.836 ( 4.664 -12.552 3.237) 13.776 22.968 ( 4.882 -2.623 -5.592) 7.873 22.996 ( 5.642 -5.101 3.590) 8.410 ======================= Grid point 207 (91/102) ======================= q-point: (-0.18 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -5.849 -10.024 -1.001) 11.648 1.522 ( -12.171 -9.245 4.622) 15.968 1.736 ( -5.148 -6.367 -3.759) 9.010 2.057 ( -5.021 1.220 3.264) 6.112 2.151 ( 1.823 -5.033 -2.713) 6.001 2.266 ( -8.924 -3.139 -4.166) 10.337 2.434 ( -0.422 -7.280 -0.612) 7.318 2.570 ( -0.025 2.487 2.823) 3.763 2.672 ( -0.095 -0.980 0.636) 1.172 2.737 ( -3.533 -1.160 -0.359) 3.736 2.782 ( 2.069 -0.852 3.004) 3.746 2.941 ( -7.869 -5.363 1.577) 9.652 3.008 ( -6.174 -2.223 -0.896) 6.623 3.175 ( 4.132 -0.924 -1.376) 4.452 3.241 ( -0.039 -0.816 -1.140) 1.402 3.306 ( 1.192 -0.069 -0.349) 1.244 3.313 ( -1.624 0.280 0.257) 1.668 3.466 ( -2.065 -0.905 1.908) 2.954 3.547 ( -0.847 6.852 -1.239) 7.014 3.612 ( 5.604 -3.570 -3.382) 7.455 3.685 ( -0.792 1.292 0.928) 1.777 3.752 ( -0.346 -0.965 1.403) 1.737 3.775 ( 3.293 3.713 -1.946) 5.331 3.928 ( 1.233 0.844 1.288) 1.973 4.162 ( -1.117 -6.893 0.819) 7.030 4.194 ( 6.179 3.597 1.476) 7.300 4.328 ( 1.722 4.159 -0.688) 4.554 4.559 ( 5.125 4.040 0.512) 6.546 4.628 ( 0.077 -0.356 1.412) 1.458 4.733 ( 8.921 2.771 -3.613) 10.016 4.823 ( -0.480 -1.834 0.728) 2.031 4.929 ( 1.168 -3.598 0.989) 3.909 5.043 ( -2.126 -1.315 -0.262) 2.513 5.091 ( 3.031 -4.869 0.275) 5.742 5.153 ( 3.163 -0.171 -1.124) 3.362 5.406 ( -0.690 -0.275 -2.123) 2.249 5.480 ( 0.911 -2.987 -0.448) 3.155 5.544 ( 3.999 -5.176 1.854) 6.798 5.702 ( -3.110 -5.372 2.164) 6.574 5.916 ( -1.246 0.151 1.265) 1.782 6.009 ( -0.238 1.631 -1.623) 2.313 6.280 ( -1.154 -1.374 1.290) 2.210 6.555 ( -4.760 -3.692 3.383) 6.909 6.646 ( -4.594 -4.609 -7.301) 9.781 6.820 ( -8.273 3.436 1.291) 9.051 7.064 ( 2.946 0.667 -0.183) 3.026 7.189 ( -5.893 -0.052 1.446) 6.068 7.306 ( -2.776 4.109 2.441) 5.527 7.548 ( 2.366 7.468 -0.808) 7.875 7.636 ( 3.229 5.173 -3.479) 7.021 8.002 ( 5.307 2.582 -1.664) 6.132 8.069 ( 1.066 3.367 5.196) 6.283 8.315 ( -1.239 -1.510 -3.997) 4.449 8.374 ( 9.605 4.826 -3.897) 11.433 8.539 ( 0.890 0.563 0.574) 1.199 8.611 ( -7.616 -0.523 3.376) 8.347 9.018 ( 3.518 2.676 1.261) 4.596 9.211 ( -3.187 2.991 2.308) 4.943 9.356 ( 6.825 11.115 -0.923) 13.076 9.621 ( 5.425 7.194 -1.919) 9.213 9.862 ( -9.760 1.592 7.294) 12.287 10.060 ( -4.817 4.651 -9.288) 11.450 10.396 ( -2.795 0.458 3.981) 4.886 10.586 ( 4.649 -4.760 -3.476) 7.507 10.737 ( -2.823 -6.274 0.229) 6.884 10.833 ( -3.829 0.616 0.530) 3.914 11.024 ( -5.230 2.708 0.019) 5.889 11.279 ( 0.582 0.721 2.012) 2.214 11.598 ( -5.653 5.644 -1.239) 8.084 11.694 ( -4.812 3.288 -0.256) 5.834 11.747 ( -8.493 6.466 2.819) 11.040 11.784 ( -6.797 2.950 -1.451) 7.551 12.263 ( 3.727 1.253 -0.979) 4.052 12.376 ( 0.614 2.010 1.003) 2.329 12.796 ( -7.952 8.831 -0.160) 11.884 12.903 ( -8.600 12.361 0.001) 15.059 13.173 ( 0.830 -4.475 -1.014) 4.663 13.223 ( 1.255 -4.958 1.412) 5.306 13.710 ( 5.220 7.780 -0.489) 9.382 13.785 ( 7.677 2.923 -0.069) 8.214 15.847 ( 5.493 -1.592 -1.995) 6.057 15.970 ( 5.940 2.522 1.970) 6.747 17.346 ( -4.435 -1.095 -0.153) 4.571 17.705 ( 3.506 -2.083 0.038) 4.078 17.967 ( -11.808 0.251 -0.192) 11.812 18.507 ( 1.637 6.462 0.924) 6.730 18.599 ( -1.798 7.706 -0.040) 7.913 19.073 ( 2.382 7.211 0.264) 7.599 19.418 ( -2.044 8.747 5.354) 10.457 19.485 ( -9.553 12.219 -4.874) 16.257 19.782 ( 14.174 -8.652 -3.549) 16.981 19.931 ( 2.774 15.029 1.547) 15.361 21.421 ( -12.552 -1.267 1.314) 12.684 21.676 ( -5.469 -5.465 0.184) 7.734 21.949 ( 1.503 -6.368 -3.853) 7.593 22.171 ( -1.403 1.762 2.254) 3.187 22.302 ( 1.114 -2.189 3.330) 4.138 22.491 ( -0.147 -0.518 -4.697) 4.728 22.745 ( 1.424 -6.005 4.676) 7.743 23.011 ( 4.048 -0.203 -4.795) 6.278 23.095 ( 7.058 -9.514 -0.369) 11.852 23.161 ( 6.899 -6.091 2.547) 9.549 ======================= Grid point 208 (92/102) ======================= q-point: (-0.09 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -1.981 -10.787 -3.929) 11.650 1.638 ( -9.405 -11.317 3.364) 15.094 1.839 ( 3.702 -3.979 -7.146) 8.978 1.952 ( -13.249 -0.809 7.082) 15.045 2.228 ( -0.989 -1.787 0.969) 2.261 2.259 ( -5.363 -2.087 0.850) 5.817 2.507 ( -1.331 2.511 0.061) 2.843 2.596 ( -1.495 -9.815 -0.633) 9.948 2.647 ( 5.282 4.796 -0.997) 7.204 2.743 ( -6.792 -3.719 0.116) 7.744 2.842 ( 5.198 -1.958 1.671) 5.800 2.949 ( -4.324 -0.480 0.035) 4.351 3.017 ( -3.280 -2.254 -0.649) 4.032 3.163 ( 1.187 1.561 -1.028) 2.214 3.275 ( 4.017 -0.681 -1.080) 4.215 3.300 ( -2.476 2.584 1.526) 3.891 3.356 ( 1.237 -1.427 -0.115) 1.892 3.406 ( -2.372 2.756 -1.922) 4.113 3.491 ( -0.755 -3.072 0.901) 3.289 3.616 ( -2.831 2.300 1.272) 3.863 3.670 ( 5.867 1.041 -3.255) 6.790 3.794 ( 0.933 0.419 0.141) 1.033 3.831 ( 4.744 -5.671 -0.082) 7.394 3.953 ( 0.346 -1.790 1.966) 2.681 4.166 ( 1.542 1.889 1.542) 2.885 4.260 ( 4.217 1.967 -1.536) 4.900 4.314 ( 0.477 -3.944 -1.159) 4.138 4.506 ( -1.735 3.611 4.812) 6.261 4.607 ( -0.517 0.962 -1.401) 1.776 4.748 ( 5.754 0.529 -1.935) 6.094 4.858 ( 2.298 -1.338 -0.043) 2.659 4.986 ( -0.950 -2.193 -0.644) 2.475 5.078 ( 1.548 -1.557 1.538) 2.681 5.174 ( 2.479 -0.813 -2.181) 3.400 5.203 ( 0.626 -3.601 1.573) 3.979 5.394 ( -2.037 -1.805 -1.331) 3.029 5.495 ( -1.033 0.301 -0.177) 1.090 5.624 ( 5.038 0.272 -0.629) 5.084 5.768 ( -3.994 -3.993 1.761) 5.916 5.944 ( -0.637 2.398 -3.132) 3.995 5.957 ( 2.703 -1.380 4.430) 5.370 6.317 ( 0.030 -2.507 1.889) 3.140 6.573 ( -6.643 -3.019 -0.545) 7.317 6.636 ( -3.365 3.449 -3.973) 6.245 6.723 ( -10.238 -3.498 0.938) 10.860 7.075 ( -0.257 3.415 4.101) 5.343 7.119 ( -1.962 3.475 0.789) 4.068 7.184 ( -2.359 2.403 -4.930) 5.970 7.492 ( 2.052 2.804 0.367) 3.494 7.537 ( 1.044 5.474 -0.345) 5.583 8.024 ( 6.333 -0.329 -3.307) 7.152 8.058 ( 1.730 0.352 4.475) 4.811 8.300 ( -2.025 3.470 -3.362) 5.238 8.346 ( -0.195 3.375 0.860) 3.489 8.423 ( -5.558 3.253 -1.039) 6.523 8.619 ( -1.978 -2.004 1.171) 3.050 9.000 ( 8.135 6.088 -1.229) 10.235 9.150 ( -1.033 1.033 1.552) 2.132 9.230 ( 3.217 5.203 2.716) 6.694 9.609 ( 5.713 0.705 -0.055) 5.756 9.766 ( -8.952 2.381 6.361) 11.237 9.922 ( -3.300 4.595 -8.563) 10.263 10.389 ( -1.469 -0.742 1.509) 2.233 10.688 ( 3.314 -3.403 -2.782) 5.504 10.810 ( -3.980 -4.058 -1.600) 5.905 10.874 ( 0.734 -5.511 1.857) 5.861 10.973 ( -0.508 -0.141 0.147) 0.547 11.281 ( -1.730 -0.063 3.343) 3.764 11.452 ( -2.075 5.322 -1.388) 5.878 11.492 ( -10.091 9.715 2.105) 14.165 11.585 ( -3.587 5.438 -1.741) 6.743 11.711 ( -3.507 2.694 -0.511) 4.452 12.231 ( 1.513 4.218 -1.386) 4.691 12.331 ( -0.313 2.509 2.093) 3.282 12.677 ( -2.839 1.237 -0.746) 3.186 12.715 ( -4.356 3.556 0.198) 5.627 13.252 ( -0.522 -4.364 -0.696) 4.450 13.320 ( -0.715 -4.989 0.706) 5.089 13.604 ( 4.366 7.689 -0.293) 8.847 13.778 ( 6.029 3.543 0.242) 6.997 15.901 ( 3.694 -1.074 -2.795) 4.755 15.945 ( 0.848 3.105 2.748) 4.232 17.367 ( -0.288 -2.368 -0.282) 2.402 17.803 ( 5.820 -4.835 0.824) 7.611 17.924 ( -5.223 -2.456 -1.468) 5.955 18.355 ( -11.806 10.540 2.321) 15.996 18.434 ( 4.489 5.846 -0.882) 7.424 18.944 ( -1.369 6.254 0.355) 6.412 19.190 ( -6.085 6.904 -1.216) 9.283 19.355 ( -2.023 4.457 0.433) 4.913 19.719 ( 4.335 8.450 -0.408) 9.506 20.066 ( 13.549 -6.675 -0.115) 15.104 21.286 ( -12.334 3.063 0.668) 12.726 21.756 ( -4.276 -6.460 1.130) 7.829 22.083 ( 2.506 -6.333 -3.982) 7.889 22.113 ( 2.064 4.295 -0.973) 4.864 22.348 ( -2.412 -1.104 7.687) 8.132 22.496 ( 0.938 -1.495 -6.017) 6.271 22.866 ( -0.177 -5.324 5.435) 7.610 23.014 ( 3.059 1.676 -3.594) 5.008 23.265 ( 3.775 -4.872 0.241) 6.168 23.303 ( 6.761 -3.314 -0.268) 7.534 ======================= Grid point 216 (93/102) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -16.971 -0.000 2.943) 17.224 1.475 ( -2.421 -0.000 -6.855) 7.270 1.578 ( -9.990 -0.000 -5.854) 11.578 1.596 ( -22.182 -0.000 7.637) 23.460 2.203 ( -14.963 -0.000 7.302) 16.650 2.285 ( 1.251 0.000 -3.075) 3.320 2.371 ( 7.735 0.000 5.260) 9.354 2.480 ( 7.195 0.000 -4.172) 8.317 2.496 ( 3.071 0.000 -2.895) 4.220 2.680 ( -8.557 -0.000 -2.111) 8.813 2.761 ( -5.736 -0.000 -0.584) 5.766 2.817 ( 4.626 0.000 -6.414) 7.908 2.975 ( -7.190 -0.000 0.983) 7.257 3.055 ( -11.371 -0.000 8.968) 14.482 3.132 ( -3.938 -0.000 -2.549) 4.691 3.277 ( 5.930 0.000 0.265) 5.936 3.350 ( 4.710 0.000 4.258) 6.349 3.488 ( -0.312 -0.000 -2.779) 2.796 3.567 ( -2.202 -0.000 -2.001) 2.976 3.707 ( -0.785 -0.000 3.484) 3.572 3.770 ( 6.585 0.000 -2.880) 7.187 3.847 ( -8.995 -0.000 4.920) 10.253 3.904 ( 8.793 0.000 -7.332) 11.449 4.120 ( -0.786 -0.000 -6.278) 6.327 4.177 ( -5.819 -0.000 7.232) 9.282 4.338 ( 1.940 0.000 4.937) 5.304 4.502 ( 3.474 0.000 -0.216) 3.481 4.506 ( -1.619 -0.000 2.292) 2.806 4.590 ( 6.315 0.000 -9.499) 11.407 4.633 ( 4.564 0.000 1.587) 4.832 4.861 ( 2.571 0.000 -0.370) 2.598 4.941 ( 13.809 0.000 -2.962) 14.123 4.948 ( -0.322 -0.000 4.503) 4.515 4.964 ( 2.009 0.000 0.038) 2.009 5.092 ( 3.594 0.000 -3.542) 5.046 5.132 ( 4.663 0.000 1.180) 4.810 5.251 ( 1.179 0.000 3.042) 3.263 5.532 ( -10.544 -0.000 0.368) 10.551 5.536 ( -0.252 -0.000 9.927) 9.930 5.751 ( 10.312 0.000 -10.271) 14.555 6.177 ( -11.300 -0.000 4.113) 12.025 6.217 ( 1.800 0.000 -0.260) 1.818 6.384 ( 8.076 0.000 -3.138) 8.664 6.463 ( -3.234 -0.000 0.194) 3.240 6.964 ( -6.819 -0.000 -3.266) 7.561 7.143 ( -5.516 -0.000 2.870) 6.218 7.233 ( 1.047 0.000 0.958) 1.419 7.260 ( -4.813 -0.000 2.607) 5.474 7.745 ( 7.644 0.000 -11.948) 14.184 7.747 ( 0.890 0.000 1.779) 1.990 8.125 ( 0.960 0.000 -6.958) 7.024 8.207 ( -2.114 -0.000 5.595) 5.981 8.350 ( 4.228 0.000 6.455) 7.716 8.377 ( 0.775 0.000 -2.804) 2.909 8.467 ( -2.404 -0.000 8.044) 8.396 8.765 ( 8.983 0.000 -3.732) 9.727 9.075 ( -0.901 -0.000 0.532) 1.046 9.328 ( -0.316 -0.000 0.635) 0.709 9.645 ( 9.435 0.000 -5.987) 11.174 9.887 ( 3.559 0.000 6.258) 7.199 10.085 ( 1.373 0.000 3.479) 3.741 10.253 ( -12.229 -0.000 -3.250) 12.654 10.273 ( -1.207 -0.000 -3.617) 3.813 10.639 ( 2.002 0.000 -4.927) 5.318 10.763 ( -5.526 -0.000 5.641) 7.897 10.868 ( -2.507 -0.000 -2.168) 3.314 11.359 ( -4.555 -0.000 -2.370) 5.135 11.381 ( -2.333 -0.000 3.545) 4.244 11.530 ( -10.328 -0.000 -2.830) 10.709 11.621 ( -6.613 -0.000 6.096) 8.994 11.784 ( -2.045 -0.000 -3.680) 4.211 11.943 ( 3.179 0.000 1.159) 3.384 12.321 ( -1.185 -0.000 1.840) 2.189 12.328 ( 1.186 0.000 -2.099) 2.410 13.016 ( 3.738 0.000 1.275) 3.949 13.018 ( 2.277 0.000 -1.561) 2.761 13.544 ( -10.432 -0.000 0.710) 10.456 13.657 ( -5.877 -0.000 -0.455) 5.895 13.880 ( 3.985 0.000 -0.506) 4.017 13.896 ( 5.525 0.000 0.480) 5.546 15.799 ( 8.490 0.000 -4.824) 9.765 15.846 ( 13.845 0.000 5.745) 14.990 17.611 ( -9.424 -0.000 0.094) 9.425 17.693 ( -4.351 -0.000 0.214) 4.356 18.292 ( -8.301 -0.000 1.340) 8.409 18.477 ( -2.603 -0.000 -1.856) 3.198 18.649 ( 7.739 0.000 0.162) 7.740 18.773 ( 11.059 0.000 0.117) 11.059 19.875 ( 2.740 0.000 4.863) 5.582 19.891 ( 1.217 0.000 -3.681) 3.877 20.477 ( -4.332 -0.000 6.290) 7.638 20.719 ( 1.951 0.000 -10.683) 10.860 21.017 ( -6.578 -0.000 9.390) 11.464 21.296 ( 1.387 0.000 -19.317) 19.367 21.966 ( -3.820 -0.000 7.776) 8.663 22.118 ( -2.567 -0.000 -4.118) 4.853 22.241 ( 0.158 0.000 16.469) 16.469 22.331 ( 2.520 0.000 -5.422) 5.979 22.505 ( -5.642 -0.000 2.948) 6.365 22.602 ( -1.331 -0.000 -4.797) 4.978 22.898 ( 5.823 0.000 -1.450) 6.001 22.916 ( 5.760 0.000 0.987) 5.844 ======================= Grid point 217 (94/102) ======================= q-point: (-0.27 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -16.645 1.573 5.359) 17.557 1.376 ( -11.464 1.756 -2.881) 11.950 1.502 ( -22.105 -5.606 4.840) 23.312 1.663 ( -3.638 -13.526 -9.704) 17.040 2.122 ( -15.418 -2.554 5.236) 16.482 2.267 ( -6.850 -1.149 -3.660) 7.851 2.366 ( 4.997 5.122 -0.481) 7.172 2.475 ( -1.813 -0.679 -2.378) 3.066 2.597 ( -17.568 -4.380 3.180) 18.383 2.624 ( 5.469 -4.563 2.704) 7.618 2.775 ( -0.415 -1.106 -3.971) 4.143 2.811 ( 2.563 1.265 -0.434) 2.891 2.943 ( -2.352 -1.966 -1.694) 3.502 3.075 ( -3.673 -4.489 1.529) 5.999 3.105 ( -3.331 -2.220 1.986) 4.469 3.294 ( 1.428 1.441 3.116) 3.718 3.403 ( 3.176 -1.671 -2.197) 4.208 3.493 ( 3.883 0.615 0.155) 3.934 3.545 ( -4.299 0.755 2.287) 4.928 3.709 ( 0.507 0.377 1.214) 1.368 3.713 ( 3.980 5.545 -1.847) 7.071 3.862 ( -1.184 -1.572 -2.887) 3.494 3.893 ( 1.396 3.267 -5.466) 6.519 4.044 ( -5.551 3.584 1.799) 6.848 4.106 ( 2.856 6.628 3.822) 8.166 4.350 ( 3.031 3.188 2.165) 4.902 4.489 ( 3.535 0.007 -0.703) 3.604 4.584 ( 5.614 0.740 -2.883) 6.354 4.605 ( 2.504 -4.582 -0.473) 5.243 4.716 ( 5.572 -0.533 -1.251) 5.735 4.749 ( 0.502 4.253 1.873) 4.674 4.943 ( 1.602 1.047 2.031) 2.791 5.034 ( 13.922 1.711 -2.403) 14.231 5.090 ( 2.311 -0.698 -0.583) 2.484 5.132 ( -2.839 -2.168 1.682) 3.949 5.192 ( 4.991 -8.376 -1.176) 9.821 5.324 ( 6.051 -4.253 -0.462) 7.411 5.434 ( -6.449 1.907 1.191) 6.830 5.562 ( 0.395 -1.294 6.108) 6.256 5.873 ( 6.801 -5.702 -5.166) 10.269 6.047 ( -7.708 4.121 1.418) 8.855 6.259 ( -3.803 -1.689 2.093) 4.658 6.419 ( 4.379 -1.160 -1.627) 4.813 6.502 ( -0.580 -3.648 -1.928) 4.167 6.901 ( -6.167 0.996 -2.142) 6.604 7.092 ( -6.765 0.417 1.039) 6.857 7.197 ( -3.893 1.387 0.911) 4.232 7.279 ( -1.650 -2.368 4.500) 5.346 7.719 ( 1.572 2.260 -3.047) 4.106 7.786 ( 5.095 0.906 -8.436) 9.897 8.102 ( 1.273 1.762 -2.987) 3.694 8.204 ( -3.213 -1.342 1.531) 3.804 8.289 ( -0.192 5.342 2.788) 6.028 8.465 ( 6.820 -2.443 0.029) 7.245 8.500 ( -2.212 -2.880 7.845) 8.645 8.721 ( 7.420 9.205 -1.365) 11.902 9.104 ( 1.431 -1.283 -0.908) 2.126 9.281 ( -3.436 2.975 3.388) 5.669 9.674 ( 11.348 4.251 -8.690) 14.912 9.881 ( -9.911 0.606 9.543) 13.772 10.014 ( 5.701 8.621 -2.936) 10.744 10.197 ( -3.116 1.475 -6.840) 7.659 10.308 ( -1.757 -5.293 4.067) 6.902 10.569 ( -0.824 4.933 -5.594) 7.503 10.697 ( -4.550 3.116 2.664) 6.125 10.861 ( -1.911 -0.239 0.741) 2.064 11.195 ( -7.442 7.223 -0.143) 10.372 11.356 ( -3.909 2.967 -0.327) 4.919 11.518 ( -7.773 -6.325 -0.352) 10.028 11.666 ( -5.147 -4.756 3.441) 7.807 11.792 ( -2.281 -2.435 -0.612) 3.393 11.925 ( -1.090 3.016 -0.430) 3.236 12.297 ( 1.828 1.297 0.390) 2.276 12.363 ( 1.171 -1.667 -0.382) 2.073 13.035 ( 0.865 -0.938 -1.283) 1.810 13.073 ( 2.501 -2.490 0.797) 3.618 13.335 ( -10.728 12.857 1.144) 16.784 13.486 ( -10.965 13.285 0.006) 17.225 13.860 ( 7.385 2.222 -0.703) 7.744 13.935 ( 5.318 2.786 0.097) 6.004 15.832 ( 8.694 1.289 -2.951) 9.271 16.001 ( 15.048 -1.512 3.891) 15.616 17.456 ( -10.201 7.071 0.477) 12.421 17.663 ( -3.775 -0.560 -0.483) 3.847 18.065 ( -14.613 7.802 0.129) 16.566 18.632 ( 0.383 -5.330 -0.712) 5.391 18.713 ( 7.775 0.191 0.373) 7.786 18.960 ( 15.384 -12.594 0.267) 19.884 19.766 ( 1.296 11.365 -2.079) 11.626 19.783 ( 2.565 11.116 2.942) 11.782 20.265 ( -10.745 19.758 1.495) 22.540 20.539 ( 0.155 15.206 -4.999) 16.007 21.115 ( -6.728 -11.157 5.949) 14.323 21.362 ( -0.517 -10.421 -15.634) 18.796 21.936 ( -8.784 2.556 8.631) 12.577 22.035 ( -4.439 -1.447 3.089) 5.598 22.344 ( 2.950 0.071 -4.102) 5.053 22.435 ( 2.423 -3.595 -1.676) 4.648 22.551 ( 4.318 -9.078 3.398) 10.612 22.639 ( 0.170 -9.094 2.726) 9.495 22.957 ( 6.400 -1.994 -2.452) 7.138 22.979 ( 5.105 -2.097 1.355) 5.683 ======================= Grid point 218 (95/102) ======================= q-point: (-0.18 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -12.889 -6.615 2.897) 14.774 1.308 ( -11.576 -4.373 -0.667) 12.393 1.494 ( -17.332 -9.473 2.542) 19.914 1.885 ( -4.224 -14.765 -4.367) 15.967 2.092 ( -10.909 -4.144 1.825) 11.811 2.237 ( -7.368 1.788 -2.205) 7.896 2.258 ( -7.828 -0.722 -3.511) 8.610 2.498 ( -4.463 -5.396 -1.493) 7.159 2.603 ( -12.243 -7.442 1.775) 14.437 2.700 ( 2.882 1.481 3.439) 4.725 2.770 ( -0.314 -1.157 1.173) 1.677 2.846 ( -1.341 -2.652 -0.392) 2.998 2.966 ( 2.562 -0.723 -1.379) 2.998 3.126 ( 0.018 -4.693 -1.832) 5.038 3.199 ( -0.769 -6.105 3.256) 6.962 3.268 ( -1.739 1.987 2.282) 3.490 3.377 ( -0.186 4.211 -1.007) 4.333 3.484 ( -1.387 3.000 3.632) 4.911 3.571 ( 7.173 -4.704 -2.544) 8.947 3.640 ( 0.458 4.543 -4.300) 6.272 3.728 ( 1.876 -1.230 0.634) 2.331 3.782 ( 0.149 7.441 -2.421) 7.827 3.865 ( 2.330 2.772 -2.139) 4.206 3.971 ( -0.968 0.915 2.450) 2.788 4.060 ( 1.068 -0.388 2.339) 2.601 4.301 ( 2.385 4.142 2.253) 5.285 4.458 ( 5.179 7.043 -1.491) 8.868 4.616 ( 2.043 -1.337 -0.967) 2.626 4.671 ( 3.181 2.591 -0.614) 4.149 4.740 ( 2.216 -6.799 0.153) 7.152 4.816 ( 8.354 0.137 0.988) 8.413 4.922 ( -2.294 1.250 1.933) 3.249 5.012 ( -2.653 1.957 -2.580) 4.186 5.113 ( 11.201 0.863 -0.464) 11.244 5.180 ( 4.220 -0.487 -1.080) 4.383 5.378 ( -5.208 -1.826 -0.228) 5.523 5.397 ( 1.660 -6.841 0.098) 7.041 5.465 ( 6.614 -6.321 -0.705) 9.176 5.626 ( 2.130 -2.986 5.446) 6.566 5.917 ( -4.573 2.618 -0.213) 5.274 6.004 ( 2.247 -3.099 -2.073) 4.353 6.249 ( -3.757 -0.730 3.172) 4.970 6.478 ( 0.164 -3.089 -0.751) 3.184 6.527 ( -4.333 -1.801 -3.797) 6.036 6.813 ( -9.258 2.849 0.557) 9.702 7.058 ( -2.688 -1.256 -1.719) 3.429 7.148 ( -6.023 0.253 1.608) 6.239 7.319 ( -0.877 -1.178 5.322) 5.521 7.670 ( -2.327 3.968 -0.348) 4.613 7.724 ( 1.876 5.322 -9.546) 11.089 8.084 ( 4.070 2.141 -1.360) 4.796 8.170 ( 0.411 5.712 4.753) 7.442 8.233 ( -5.240 -2.557 -1.702) 6.074 8.517 ( -2.642 -0.329 0.234) 2.673 8.537 ( 5.430 2.357 -0.952) 5.995 8.631 ( 6.518 4.611 1.830) 8.191 9.085 ( 0.742 2.568 2.244) 3.490 9.240 ( -1.750 1.074 2.638) 3.342 9.602 ( 7.230 8.975 -6.677) 13.319 9.782 ( -6.673 5.094 6.928) 10.884 9.889 ( 1.951 8.627 -1.032) 8.905 10.077 ( -5.196 4.491 -8.508) 10.934 10.376 ( -3.484 -1.157 5.343) 6.483 10.545 ( 4.902 -3.107 -2.597) 6.358 10.641 ( -2.374 -0.530 -0.797) 2.559 10.831 ( -2.674 1.571 1.297) 3.361 11.039 ( -6.007 3.819 -0.372) 7.128 11.289 ( -3.793 1.044 1.580) 4.239 11.558 ( -6.900 -3.166 -0.931) 7.649 11.665 ( -9.323 -0.147 -0.103) 9.324 11.776 ( -1.013 3.034 2.950) 4.351 11.840 ( -4.964 4.191 -0.937) 6.564 12.307 ( 4.228 0.389 0.165) 4.250 12.394 ( 1.644 -0.372 -0.357) 1.723 12.920 ( -12.416 11.814 -0.370) 17.142 13.039 ( -11.847 9.562 0.606) 15.236 13.159 ( 1.348 1.119 0.638) 1.865 13.181 ( 0.739 2.386 -0.172) 2.504 13.877 ( 6.087 4.305 -1.191) 7.550 13.895 ( 7.257 4.310 0.526) 8.457 15.874 ( 6.735 0.014 -2.931) 7.345 16.082 ( 8.149 3.729 3.426) 9.595 17.305 ( -6.093 1.161 -0.098) 6.204 17.669 ( -1.451 -2.636 -0.888) 3.138 17.875 ( -14.287 1.117 0.342) 14.335 18.621 ( -0.571 4.936 2.178) 5.425 18.734 ( 6.863 4.252 -1.098) 8.148 19.221 ( 7.823 3.217 0.777) 8.494 19.602 ( 1.805 10.298 1.823) 10.613 19.684 ( 1.619 7.356 -0.284) 7.537 19.730 ( -8.268 9.976 -4.355) 13.669 20.241 ( 1.006 16.954 -0.331) 16.987 21.256 ( -9.662 -8.083 2.585) 12.860 21.501 ( -6.464 -8.663 -6.692) 12.713 21.862 ( -3.892 -1.743 2.666) 5.029 22.097 ( -4.658 -5.691 5.477) 9.169 22.336 ( 3.170 1.939 -3.291) 4.963 22.458 ( -1.851 -1.534 -1.091) 2.640 22.687 ( 5.515 -4.350 1.072) 7.105 22.960 ( 9.851 -12.435 0.274) 15.867 23.026 ( 6.096 -1.730 -3.527) 7.252 23.104 ( 6.883 -6.519 3.232) 10.016 ======================= Grid point 219 (96/102) ======================= q-point: (-0.09 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -6.628 -13.718 -3.156) 15.558 1.356 ( -12.009 -10.415 2.877) 16.155 1.599 ( -11.063 -13.331 -0.041) 17.324 2.001 ( -5.839 3.389 7.948) 10.428 2.100 ( -9.746 -3.763 -6.019) 12.057 2.157 ( 0.373 -7.372 -1.546) 7.542 2.335 ( -11.980 -12.279 0.831) 17.175 2.565 ( -0.400 0.247 -3.922) 3.951 2.619 ( -10.671 -3.030 2.902) 11.466 2.681 ( -2.273 -3.567 -1.030) 4.354 2.821 ( 1.706 -3.982 -2.831) 5.175 2.865 ( -1.138 -0.977 5.711) 5.905 3.014 ( 5.014 -0.168 -2.581) 5.642 3.190 ( -0.597 -1.875 -0.210) 1.978 3.232 ( -0.293 -0.965 -1.819) 2.080 3.299 ( -0.768 -4.442 1.953) 4.913 3.334 ( 2.400 1.676 2.294) 3.719 3.451 ( -1.420 -0.078 1.746) 2.252 3.518 ( 0.691 7.803 -4.499) 9.033 3.655 ( -1.651 4.306 -0.054) 4.612 3.720 ( 8.636 -2.984 -3.132) 9.659 3.762 ( 1.022 -1.900 1.688) 2.739 3.831 ( 3.837 2.125 -1.292) 4.572 3.963 ( 2.126 1.104 1.384) 2.766 4.157 ( -0.689 -6.963 3.146) 7.672 4.260 ( 1.196 2.429 2.343) 3.580 4.349 ( 1.346 5.983 0.060) 6.132 4.614 ( 1.432 3.822 -1.335) 4.294 4.642 ( 2.206 3.320 -0.609) 4.032 4.797 ( 0.645 2.812 -1.692) 3.344 4.841 ( 1.422 -2.364 -0.319) 2.777 4.939 ( -0.539 -2.769 2.080) 3.505 5.036 ( 4.139 -4.275 -1.619) 6.167 5.186 ( 7.881 0.121 -1.071) 7.954 5.197 ( 2.523 -0.119 0.668) 2.613 5.358 ( -1.778 -0.375 -1.149) 2.150 5.486 ( 0.129 -1.557 -1.485) 2.155 5.610 ( 1.840 -5.335 0.450) 5.661 5.701 ( 1.512 -1.749 3.324) 4.049 5.876 ( -2.945 -2.390 0.133) 3.795 6.041 ( 3.646 1.457 0.403) 3.947 6.266 ( -1.742 -2.966 3.050) 4.597 6.489 ( -5.066 -0.659 -2.405) 5.647 6.539 ( -6.646 -5.475 -1.932) 8.825 6.662 ( -12.336 4.326 0.673) 13.090 7.084 ( 0.868 -2.244 -4.046) 4.707 7.103 ( -7.414 -0.204 4.396) 8.622 7.268 ( -4.938 7.150 2.385) 9.011 7.550 ( -0.855 3.599 -2.057) 4.232 7.628 ( -2.455 5.179 -4.045) 7.015 8.074 ( 4.513 1.870 -2.544) 5.507 8.102 ( 0.791 2.722 4.671) 5.464 8.238 ( -7.386 -2.481 -0.791) 7.832 8.377 ( -13.924 5.912 -0.828) 15.149 8.539 ( 12.061 4.177 -3.223) 13.165 8.642 ( 5.129 1.802 1.309) 5.592 9.096 ( 4.508 0.117 3.647) 5.800 9.189 ( -0.708 2.959 0.866) 3.163 9.441 ( 3.375 12.420 2.208) 13.059 9.667 ( 0.076 2.597 0.212) 2.607 9.775 ( -3.651 3.866 3.918) 6.605 9.961 ( -1.944 3.996 -10.111) 11.044 10.363 ( -3.123 -0.615 2.935) 4.330 10.650 ( 4.561 -3.044 -2.259) 5.930 10.675 ( -4.170 -5.251 -0.022) 6.706 10.816 ( 0.059 -1.840 0.094) 1.844 10.972 ( -1.085 0.645 -0.163) 1.273 11.265 ( -3.386 -0.454 3.218) 4.694 11.502 ( -6.774 2.857 -1.031) 7.423 11.536 ( -11.233 5.414 1.952) 12.622 11.676 ( -5.895 6.786 -0.783) 9.023 11.741 ( 1.280 2.211 -0.087) 2.556 12.321 ( 4.299 2.870 -0.468) 5.190 12.380 ( -0.249 2.882 0.256) 2.904 12.690 ( -5.811 4.329 0.080) 7.247 12.756 ( -9.980 6.957 -0.284) 12.169 13.190 ( 1.192 -2.463 0.579) 2.797 13.242 ( 1.120 -3.610 -0.385) 3.799 13.784 ( 4.621 8.249 0.043) 9.455 13.893 ( 6.479 3.670 -0.214) 7.449 15.911 ( 3.933 -0.288 -2.953) 4.926 16.026 ( -0.545 5.110 3.089) 5.996 17.320 ( 1.492 -3.373 -0.472) 3.719 17.736 ( 1.010 -5.329 -1.364) 5.593 17.817 ( -7.685 -3.534 1.081) 8.527 18.465 ( -8.415 9.929 3.827) 13.566 18.638 ( 6.295 10.775 -2.518) 12.731 19.067 ( -3.017 9.747 1.648) 10.336 19.274 ( -10.336 10.431 -4.073) 15.239 19.454 ( -0.463 7.453 1.585) 7.634 19.951 ( 6.969 10.009 -1.671) 12.310 20.040 ( 13.518 -5.998 0.870) 14.814 21.226 ( -13.125 0.487 0.573) 13.147 21.584 ( -7.414 -8.220 0.390) 11.076 21.960 ( 1.966 -7.785 -3.068) 8.596 22.147 ( -3.128 -1.576 3.323) 4.828 22.331 ( 1.071 -0.020 1.851) 2.139 22.467 ( -0.347 -1.113 -4.240) 4.397 22.803 ( 3.070 -3.928 5.593) 7.492 23.048 ( 3.931 0.177 -5.069) 6.417 23.205 ( 6.900 -6.341 0.491) 9.384 23.292 ( 9.738 -5.120 0.537) 11.014 ======================= Grid point 228 (97/102) ======================= q-point: (-0.27 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -22.003 -0.000 6.851) 23.045 1.268 ( -25.712 -0.000 7.355) 26.743 1.387 ( -4.223 -0.000 -8.938) 9.885 1.388 ( -11.384 -0.000 -9.353) 14.733 1.982 ( -16.771 -0.000 4.576) 17.384 2.119 ( -28.062 -0.000 1.215) 28.088 2.310 ( -17.096 -0.000 -2.247) 17.243 2.459 ( -8.339 -0.000 1.580) 8.487 2.587 ( 7.030 0.000 6.253) 9.408 2.616 ( 9.933 0.000 -2.497) 10.242 2.753 ( 1.770 0.000 -7.402) 7.611 2.823 ( 0.071 0.000 -8.211) 8.211 2.927 ( -10.493 -0.000 10.190) 14.626 3.005 ( 10.906 0.000 -0.525) 10.918 3.070 ( -4.177 -0.000 -0.059) 4.178 3.327 ( 2.309 0.000 1.376) 2.688 3.393 ( 0.540 0.000 1.148) 1.269 3.523 ( -2.410 -0.000 -2.486) 3.462 3.541 ( 3.825 0.000 2.274) 4.450 3.721 ( 2.367 0.000 0.248) 2.380 3.817 ( 0.570 0.000 4.390) 4.426 3.830 ( 2.607 0.000 -3.053) 4.014 3.890 ( -1.567 -0.000 -10.399) 10.517 4.029 ( -8.431 -0.000 2.471) 8.785 4.262 ( 8.206 0.000 5.570) 9.917 4.359 ( -0.681 -0.000 2.875) 2.955 4.515 ( 1.675 0.000 2.770) 3.237 4.542 ( 4.123 0.000 -2.612) 4.881 4.682 ( 10.628 0.000 -9.159) 14.030 4.756 ( 8.651 0.000 2.646) 9.047 4.867 ( -0.081 -0.000 1.461) 1.463 4.954 ( 1.034 0.000 -0.490) 1.144 4.989 ( 2.884 0.000 3.116) 4.246 5.113 ( 1.486 0.000 -5.178) 5.387 5.156 ( -1.289 -0.000 0.924) 1.586 5.177 ( 14.168 0.000 -2.153) 14.331 5.329 ( 7.041 0.000 -0.798) 7.086 5.387 ( -8.822 -0.000 3.226) 9.393 5.605 ( 3.332 0.000 9.248) 9.830 5.843 ( 7.467 0.000 -8.571) 11.368 6.022 ( -11.074 -0.000 3.344) 11.567 6.233 ( -0.025 -0.000 1.333) 1.333 6.436 ( 0.414 0.000 -0.021) 0.415 6.490 ( 7.949 0.000 -4.700) 9.234 6.864 ( -5.042 -0.000 -1.415) 5.237 7.032 ( -9.255 -0.000 -0.511) 9.269 7.167 ( -9.110 -0.000 3.320) 9.696 7.260 ( 0.452 0.000 3.119) 3.151 7.739 ( -3.718 -0.000 2.712) 4.602 7.806 ( 7.125 0.000 -17.274) 18.685 8.118 ( 1.355 0.000 -3.898) 4.127 8.139 ( -7.206 -0.000 1.195) 7.304 8.378 ( -0.954 -0.000 -0.311) 1.004 8.449 ( 1.953 0.000 9.954) 10.143 8.505 ( 5.202 0.000 4.803) 7.080 8.905 ( 11.040 0.000 -0.925) 11.079 9.060 ( -1.455 -0.000 -1.140) 1.848 9.281 ( -8.157 -0.000 5.794) 10.006 9.770 ( 9.630 0.000 -12.376) 15.681 9.827 ( -12.447 -0.000 9.006) 15.363 10.061 ( -8.045 -0.000 -8.103) 11.419 10.256 ( -0.125 -0.000 2.807) 2.810 10.262 ( 17.809 0.000 0.576) 17.818 10.596 ( -2.788 -0.000 -8.329) 8.784 10.712 ( -3.105 -0.000 3.592) 4.748 10.854 ( 0.443 0.000 0.510) 0.675 11.272 ( -5.011 -0.000 -3.726) 6.245 11.304 ( -7.882 -0.000 0.421) 7.893 11.370 ( -8.437 -0.000 -3.534) 9.147 11.610 ( -2.613 -0.000 8.525) 8.916 11.756 ( 2.045 0.000 1.898) 2.790 11.935 ( -4.477 -0.000 -1.741) 4.804 12.317 ( -0.416 -0.000 2.707) 2.739 12.369 ( 5.760 0.000 -2.369) 6.228 13.032 ( -0.739 -0.000 -0.740) 1.046 13.073 ( 3.131 0.000 0.389) 3.155 13.382 ( -11.210 -0.000 2.411) 11.467 13.539 ( -9.444 -0.000 -2.847) 9.864 13.949 ( 4.916 0.000 0.663) 4.960 13.972 ( 4.643 0.000 -0.463) 4.666 15.902 ( 7.627 0.000 -6.786) 10.209 16.136 ( 20.574 0.000 8.730) 22.350 17.463 ( -10.156 -0.000 1.975) 10.346 17.612 ( -5.867 -0.000 -1.793) 6.135 18.173 ( -8.662 -0.000 1.948) 8.878 18.416 ( -3.614 -0.000 -6.192) 7.169 18.787 ( 9.763 0.000 2.041) 9.974 18.951 ( 12.986 0.000 -0.486) 12.995 19.869 ( -2.011 -0.000 -5.159) 5.537 19.935 ( 1.210 0.000 6.583) 6.694 20.418 ( -6.647 -0.000 3.987) 7.751 20.716 ( 2.886 0.000 -7.179) 7.737 20.937 ( -8.732 -0.000 7.204) 11.321 21.196 ( -2.626 -0.000 -23.778) 23.923 21.935 ( -4.004 -0.000 4.957) 6.372 22.042 ( -4.854 -0.000 -3.472) 5.967 22.349 ( 3.443 0.000 22.196) 22.462 22.362 ( 3.382 0.000 -2.930) 4.475 22.438 ( -4.968 -0.000 3.435) 6.039 22.592 ( 4.056 0.000 -7.046) 8.130 22.983 ( 6.026 0.000 -1.065) 6.119 22.999 ( 4.784 0.000 0.482) 4.809 ======================= Grid point 229 (98/102) ======================= q-point: (-0.18 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -20.079 -2.224 8.101) 21.765 1.174 ( -20.198 -6.756 3.304) 21.553 1.214 ( -11.162 0.239 -6.068) 12.707 1.538 ( -7.228 -15.640 -7.645) 18.849 1.909 ( -16.269 -4.830 2.633) 17.174 1.956 ( -30.174 -8.204 2.468) 31.367 2.165 ( -21.391 -1.465 -2.928) 21.640 2.439 ( -5.138 -1.671 -0.601) 5.436 2.591 ( 11.073 6.896 -1.601) 13.143 2.693 ( -3.453 -4.208 0.983) 5.531 2.709 ( -4.381 -0.937 1.365) 4.684 2.819 ( 1.277 0.968 0.046) 1.603 2.947 ( -0.371 -3.866 1.015) 4.014 3.054 ( -1.963 -2.262 -1.221) 3.234 3.127 ( 9.249 -3.493 0.772) 9.917 3.326 ( 0.899 3.361 1.449) 3.769 3.418 ( -0.087 -0.284 0.459) 0.547 3.490 ( -0.595 -1.104 -2.223) 2.552 3.550 ( -0.902 -0.013 2.222) 2.398 3.729 ( 2.560 2.386 0.438) 3.527 3.771 ( 4.692 5.159 -2.106) 7.285 3.852 ( -0.640 -0.098 -7.247) 7.275 3.875 ( 1.606 -1.531 -0.399) 2.255 3.970 ( -3.089 1.082 1.988) 3.830 4.191 ( 3.006 8.880 5.405) 10.821 4.377 ( -1.063 2.233 3.295) 4.120 4.567 ( 6.483 -1.925 0.067) 6.763 4.611 ( 0.893 -3.124 -0.052) 3.250 4.677 ( 8.890 5.317 -5.088) 11.541 4.758 ( 4.207 2.400 -2.140) 5.295 4.890 ( 11.313 -0.816 1.355) 11.423 4.940 ( -3.338 3.511 3.114) 5.759 5.042 ( -3.886 2.576 -2.697) 5.386 5.135 ( 3.187 -5.658 -0.664) 6.527 5.230 ( 0.862 -6.903 -0.942) 7.020 5.254 ( 11.700 1.037 -1.013) 11.790 5.337 ( -2.872 -1.118 1.492) 3.424 5.427 ( 6.674 -3.730 -2.005) 7.904 5.640 ( 3.271 -0.016 8.113) 8.748 5.926 ( -3.133 0.648 -0.657) 3.266 5.939 ( 0.246 -3.212 -2.801) 4.269 6.225 ( -2.022 0.559 2.368) 3.164 6.445 ( 0.262 -0.111 -0.870) 0.915 6.519 ( 3.274 1.253 -4.826) 5.965 6.796 ( -8.619 2.956 1.018) 9.169 6.987 ( -5.482 -2.623 -2.038) 6.410 7.101 ( -8.874 0.078 2.483) 9.215 7.290 ( -0.539 -2.363 3.627) 4.362 7.687 ( -6.253 1.798 1.372) 6.649 7.782 ( 0.590 2.784 -13.955) 14.242 8.115 ( -6.665 -2.843 -1.828) 7.473 8.120 ( 1.706 0.034 -3.540) 3.930 8.318 ( 0.430 5.668 4.503) 7.252 8.463 ( -5.751 0.212 8.378) 10.164 8.600 ( 10.236 -2.045 -1.184) 10.506 8.837 ( 7.942 9.913 -0.315) 12.706 9.112 ( -1.142 -0.666 2.428) 2.764 9.216 ( -6.873 -1.072 3.935) 7.992 9.695 ( -7.653 4.011 -1.774) 8.821 9.805 ( -1.850 -0.047 -0.225) 1.865 10.000 ( 2.714 1.448 -13.666) 14.008 10.198 ( -0.164 9.491 5.009) 10.733 10.388 ( 8.125 1.996 0.189) 8.369 10.532 ( 2.459 -0.266 -2.783) 3.723 10.675 ( 1.177 3.111 -0.679) 3.395 10.850 ( -0.860 1.345 1.841) 2.437 11.086 ( -6.402 7.200 -0.352) 9.641 11.263 ( -6.311 0.584 -3.174) 7.088 11.413 ( -6.395 -6.989 -0.075) 9.473 11.599 ( -6.142 -0.550 1.365) 6.316 11.818 ( 3.296 -0.162 7.625) 8.309 11.855 ( -6.350 2.907 -2.768) 7.512 12.329 ( 1.465 -0.527 1.832) 2.404 12.415 ( 6.521 -0.156 -1.774) 6.760 12.979 ( -8.901 4.475 -0.011) 9.963 13.090 ( -2.728 2.072 0.198) 3.431 13.223 ( -3.959 7.527 1.349) 8.611 13.303 ( -11.690 11.782 -1.614) 16.676 13.962 ( 6.511 1.267 -0.838) 6.686 14.009 ( 4.605 1.721 0.132) 4.918 15.924 ( 5.567 0.946 -6.306) 8.464 16.265 ( 15.518 6.066 8.381) 18.650 17.313 ( -8.788 6.161 0.528) 10.745 17.592 ( -4.525 -2.802 -2.473) 5.869 17.848 ( -14.115 10.078 0.034) 17.343 18.619 ( -1.921 -7.473 -2.991) 8.275 18.849 ( 9.663 1.992 1.684) 10.009 19.203 ( 17.014 -14.335 -0.387) 22.251 19.735 ( -3.150 8.417 -5.600) 10.589 19.836 ( 0.571 10.168 6.225) 11.935 20.058 ( -16.047 28.051 -1.389) 32.347 20.541 ( 2.065 14.974 -1.261) 15.168 21.019 ( -8.523 -10.518 2.472) 13.762 21.250 ( -5.761 -11.035 -15.110) 19.577 21.847 ( -7.259 4.055 7.750) 11.367 21.985 ( -4.076 -3.128 2.532) 5.728 22.369 ( 2.268 0.247 -3.053) 3.812 22.417 ( -2.656 -0.867 1.056) 2.987 22.659 ( 7.620 -3.943 -3.852) 9.405 22.757 ( 13.396 -21.386 8.036) 26.483 23.036 ( 5.567 -1.212 -1.964) 6.026 23.059 ( 4.774 -3.435 1.555) 6.084 ======================= Grid point 230 (99/102) ======================= q-point: (-0.09 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -13.147 -11.105 2.568) 17.400 1.140 ( -9.133 -3.877 -4.649) 10.957 1.252 ( -16.255 -13.919 3.595) 21.700 1.764 ( -9.032 -15.528 -2.238) 18.103 1.958 ( -10.054 -12.473 0.137) 16.021 1.987 ( -19.318 -13.274 -1.030) 23.462 2.059 ( -15.370 -2.387 2.702) 15.787 2.393 ( -10.391 -0.976 5.591) 11.840 2.562 ( 5.491 0.289 -7.918) 9.640 2.724 ( -1.087 -2.250 -4.481) 5.131 2.747 ( -1.337 3.625 -0.632) 3.915 2.807 ( -3.872 -6.382 4.266) 8.598 3.008 ( 0.070 -3.446 1.949) 3.960 3.110 ( -1.858 -3.176 -0.343) 3.695 3.244 ( 4.936 -2.035 2.011) 5.706 3.256 ( 1.948 1.387 -1.621) 2.889 3.394 ( 1.657 1.842 1.536) 2.916 3.485 ( -1.464 3.052 2.312) 4.100 3.594 ( -1.190 -0.288 -2.009) 2.352 3.673 ( 5.334 0.217 -5.108) 7.389 3.767 ( 4.634 0.806 -0.468) 4.727 3.784 ( 0.716 4.193 -1.028) 4.376 3.910 ( 4.520 2.221 -1.912) 5.387 3.997 ( 3.225 -2.357 1.304) 4.202 4.095 ( 1.204 2.534 4.431) 5.245 4.316 ( -1.032 3.080 2.676) 4.208 4.512 ( 1.008 9.819 0.080) 9.871 4.640 ( 1.679 -0.321 -1.000) 1.980 4.693 ( 3.334 0.057 -1.244) 3.559 4.812 ( 2.861 -1.458 -0.978) 3.356 4.854 ( -6.093 2.646 3.742) 7.625 4.909 ( 1.936 1.650 -2.728) 3.730 5.026 ( 7.045 -1.368 -0.735) 7.214 5.198 ( 0.137 -1.275 0.214) 1.300 5.284 ( 9.312 2.387 -2.226) 9.867 5.344 ( 2.785 -2.439 -0.465) 3.731 5.411 ( 0.909 -5.219 0.185) 5.301 5.543 ( 4.702 -3.760 -3.215) 6.825 5.695 ( 0.694 -2.341 8.041) 8.404 5.843 ( -3.076 1.944 -1.055) 3.789 6.042 ( 3.454 -3.932 -1.995) 5.601 6.209 ( -3.950 -1.225 2.813) 5.001 6.410 ( -9.263 0.264 -0.189) 9.269 6.489 ( -0.481 1.273 -2.115) 2.515 6.650 ( -10.389 4.121 -0.029) 11.177 7.019 ( -1.427 -3.247 -3.397) 4.911 7.051 ( -7.435 -0.466 3.477) 8.222 7.316 ( -4.197 0.995 3.837) 5.773 7.579 ( -8.221 3.156 -0.801) 8.842 7.681 ( -1.828 4.327 -10.718) 11.702 8.099 ( -5.610 -1.570 -0.700) 5.867 8.130 ( -1.288 -0.138 -3.910) 4.119 8.220 ( 0.790 5.301 5.352) 7.574 8.364 ( -11.557 4.707 1.945) 12.630 8.689 ( 12.855 1.398 -6.102) 14.298 8.750 ( 6.151 6.051 4.060) 9.536 9.110 ( 0.109 -1.521 5.621) 5.824 9.216 ( -2.132 0.238 -0.032) 2.146 9.589 ( -3.911 2.520 -0.779) 4.718 9.755 ( -3.675 5.072 5.480) 8.322 9.891 ( -1.204 13.960 -0.901) 14.041 9.989 ( -0.766 2.703 -9.527) 9.933 10.358 ( 0.275 1.814 0.435) 1.886 10.599 ( -1.396 0.096 1.955) 2.404 10.662 ( 7.534 -0.645 -1.189) 7.655 10.805 ( -1.423 1.086 0.491) 1.856 10.983 ( -0.655 1.508 -0.502) 1.719 11.224 ( -4.514 -1.298 1.041) 4.811 11.450 ( -7.380 -2.118 0.231) 7.682 11.537 ( -7.280 2.059 -0.145) 7.567 11.729 ( -8.794 4.206 -1.116) 9.812 11.797 ( 0.268 4.164 4.718) 6.298 12.364 ( 3.049 -0.770 -0.237) 3.154 12.449 ( 6.263 2.037 -1.172) 6.689 12.744 ( -10.583 7.996 0.435) 13.271 12.814 ( -16.297 10.468 -0.454) 19.375 13.186 ( 1.381 0.373 1.361) 1.974 13.209 ( 2.249 -1.243 -0.818) 2.697 13.948 ( 3.692 5.670 0.558) 6.789 14.000 ( 6.563 3.036 -1.199) 7.330 15.932 ( 3.352 0.392 -5.244) 6.236 16.151 ( -3.145 10.314 6.340) 12.508 17.265 ( 1.656 -3.858 -0.401) 4.218 17.635 ( -0.987 -4.790 -2.694) 5.584 17.706 ( -8.569 -1.974 1.869) 8.990 18.570 ( -9.154 6.768 0.521) 11.396 18.852 ( 9.177 6.382 -0.024) 11.178 19.280 ( -0.563 14.294 1.226) 14.357 19.416 ( -15.826 17.685 -4.591) 24.172 19.606 ( -2.593 9.747 0.337) 10.091 19.929 ( 17.954 -13.382 0.832) 22.407 20.275 ( 3.839 15.878 0.126) 16.336 21.103 ( -11.019 -4.539 0.519) 11.928 21.346 ( -11.077 -9.961 -3.763) 15.365 21.841 ( -0.559 -5.303 2.189) 5.764 22.049 ( -4.317 -5.566 3.179) 7.728 22.362 ( 1.946 1.274 -2.133) 3.156 22.427 ( -1.727 -1.774 -0.511) 2.528 22.787 ( 6.271 -3.368 3.110) 7.768 23.053 ( 4.727 -2.080 -4.914) 7.128 23.148 ( 8.507 -6.199 0.030) 10.526 23.253 ( 12.658 -9.153 1.256) 15.671 ======================= Grid point 241 (100/102) ======================= q-point: (-0.18 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -21.877 -0.000 10.130) 24.108 0.911 ( -26.313 -0.000 9.247) 27.891 1.172 ( -10.908 -0.000 -11.485) 15.839 1.296 ( -1.129 -0.000 -11.233) 11.290 1.583 ( -42.431 -0.000 9.787) 43.545 1.744 ( -17.934 -0.000 -2.529) 18.112 1.992 ( -18.168 -0.000 -4.146) 18.635 2.395 ( -2.512 -0.000 -1.816) 3.100 2.602 ( -5.766 -0.000 -4.019) 7.028 2.617 ( -9.403 -0.000 5.162) 10.727 2.839 ( -7.407 -0.000 10.443) 12.803 2.840 ( 6.875 0.000 0.236) 6.879 2.877 ( 15.110 0.000 -5.414) 16.051 3.003 ( -4.402 -0.000 0.439) 4.424 3.190 ( 12.807 0.000 -2.634) 13.075 3.367 ( 1.833 0.000 0.379) 1.871 3.411 ( 0.691 0.000 3.363) 3.433 3.475 ( -1.542 -0.000 -5.570) 5.780 3.538 ( -5.117 -0.000 2.612) 5.745 3.781 ( -4.368 -0.000 -6.748) 8.038 3.796 ( 6.621 0.000 0.227) 6.625 3.863 ( 1.494 0.000 -4.209) 4.466 3.864 ( 2.204 0.000 4.391) 4.913 3.961 ( -0.856 -0.000 -0.848) 1.205 4.334 ( -4.399 -0.000 11.057) 11.900 4.370 ( 1.799 0.000 -0.473) 1.860 4.598 ( 8.003 0.000 1.149) 8.085 4.615 ( 7.393 0.000 -3.558) 8.204 4.784 ( 6.182 0.000 -5.690) 8.402 4.860 ( 3.625 0.000 -0.306) 3.638 4.916 ( 7.922 0.000 -4.919) 9.325 4.975 ( -0.192 -0.000 1.756) 1.766 5.044 ( -0.482 -0.000 5.258) 5.280 5.093 ( -0.661 -0.000 -2.134) 2.234 5.144 ( 3.838 0.000 -3.083) 4.923 5.306 ( 0.878 0.000 2.003) 2.187 5.366 ( 9.184 0.000 -2.969) 9.652 5.429 ( 6.928 0.000 -1.190) 7.030 5.672 ( -2.704 -0.000 10.839) 11.171 5.904 ( 4.956 0.000 -5.828) 7.650 5.912 ( -2.939 -0.000 0.859) 3.062 6.235 ( -0.778 -0.000 1.807) 1.967 6.469 ( 4.004 0.000 -3.093) 5.059 6.543 ( -0.299 -0.000 -5.333) 5.342 6.809 ( -2.158 -0.000 3.249) 3.900 6.876 ( -10.192 -0.000 -2.643) 10.529 7.039 ( -7.979 -0.000 0.595) 8.001 7.254 ( -3.382 -0.000 1.865) 3.862 7.640 ( -12.904 -0.000 5.966) 14.216 7.772 ( -1.405 -0.000 -17.552) 17.608 8.036 ( -4.776 -0.000 -3.407) 5.867 8.103 ( -3.114 -0.000 -4.487) 5.461 8.369 ( -0.131 -0.000 5.448) 5.449 8.481 ( -3.036 -0.000 10.131) 10.576 8.656 ( 13.801 0.000 -3.259) 14.181 9.017 ( -3.560 -0.000 -0.610) 3.612 9.074 ( 10.828 0.000 1.547) 10.938 9.134 ( -15.122 -0.000 8.851) 17.521 9.672 ( -12.283 -0.000 8.080) 14.702 9.744 ( -4.209 -0.000 -10.040) 10.887 10.011 ( 6.008 0.000 -15.322) 16.458 10.312 ( 5.835 0.000 5.700) 8.157 10.500 ( 3.729 0.000 -10.294) 10.949 10.565 ( 12.768 0.000 2.134) 12.945 10.727 ( 4.242 0.000 -0.124) 4.244 10.863 ( 0.108 0.000 0.788) 0.796 11.188 ( -3.254 -0.000 -5.382) 6.290 11.191 ( -6.940 -0.000 0.452) 6.954 11.257 ( -5.213 -0.000 -2.448) 5.759 11.552 ( -5.991 -0.000 0.160) 5.993 11.805 ( -10.569 -0.000 -4.075) 11.327 11.910 ( 12.588 0.000 11.768) 17.232 12.341 ( 2.335 0.000 3.085) 3.869 12.465 ( 7.575 0.000 -1.954) 7.822 12.964 ( -8.769 -0.000 2.339) 9.076 13.098 ( -1.208 -0.000 -1.908) 2.258 13.268 ( -4.982 -0.000 2.608) 5.623 13.337 ( -14.071 -0.000 -7.935) 16.154 14.023 ( 4.290 0.000 0.819) 4.367 14.031 ( 3.586 0.000 -0.766) 3.667 15.948 ( 3.060 0.000 -8.454) 8.990 16.530 ( 26.503 0.000 10.527) 28.517 17.353 ( -5.734 -0.000 3.565) 6.751 17.498 ( -7.424 -0.000 -7.438) 10.509 18.049 ( -9.203 -0.000 1.765) 9.370 18.278 ( -11.035 -0.000 -15.994) 19.431 18.954 ( 10.774 0.000 4.881) 11.828 19.155 ( 14.490 0.000 -0.077) 14.491 19.786 ( -5.730 -0.000 -4.389) 7.218 19.941 ( -5.505 -0.000 8.009) 9.718 20.312 ( -9.008 -0.000 1.332) 9.106 20.731 ( 2.009 0.000 -7.216) 7.491 20.841 ( -6.538 -0.000 3.922) 7.624 20.991 ( -10.540 -0.000 -25.948) 28.007 21.896 ( -3.160 -0.000 2.568) 4.072 21.958 ( -4.466 -0.000 -2.061) 4.918 22.388 ( 1.299 0.000 -1.734) 2.167 22.389 ( -3.248 -0.000 2.482) 4.088 22.562 ( 11.568 0.000 26.729) 29.125 22.672 ( 10.534 0.000 -7.046) 12.673 23.061 ( 4.819 0.000 -0.924) 4.907 23.061 ( 3.408 0.000 0.289) 3.421 ======================= Grid point 242 (101/102) ======================= q-point: (-0.09 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -19.509 -5.614 10.148) 22.696 0.877 ( -21.280 -12.359 9.080) 26.231 1.062 ( -4.411 0.788 -14.608) 15.280 1.414 ( -4.709 -14.142 -5.587) 15.918 1.473 ( -31.775 -18.012 10.631) 38.041 1.649 ( -21.399 -7.449 -9.487) 24.564 1.915 ( -7.647 -3.387 1.899) 8.576 2.358 ( -5.479 1.667 -2.694) 6.329 2.588 ( -7.805 -4.731 1.078) 9.191 2.606 ( -7.339 -4.951 -2.732) 9.265 2.732 ( 3.627 5.656 7.634) 10.170 2.841 ( 1.334 4.395 -0.427) 4.612 2.964 ( 0.422 -1.321 0.852) 1.628 3.045 ( 2.469 -2.754 -0.881) 3.802 3.283 ( 9.488 -1.050 -2.083) 9.770 3.317 ( -0.218 5.303 -1.971) 5.662 3.421 ( -0.262 0.048 2.492) 2.506 3.500 ( 2.415 -5.133 -2.139) 6.062 3.507 ( -5.160 -0.289 1.868) 5.495 3.746 ( -0.311 1.531 -3.265) 3.619 3.825 ( 2.243 3.767 -1.559) 4.653 3.841 ( 3.527 0.925 -2.383) 4.356 3.906 ( 2.580 -4.005 0.238) 4.770 3.986 ( 4.010 -1.511 -0.530) 4.318 4.226 ( -1.769 7.446 6.148) 9.817 4.364 ( -0.579 2.480 1.030) 2.747 4.638 ( 1.706 3.568 0.016) 3.955 4.664 ( 6.728 0.390 -1.669) 6.943 4.782 ( 4.265 3.360 -0.547) 5.457 4.823 ( 5.319 2.321 0.036) 5.803 4.876 ( -6.461 6.224 1.110) 9.040 4.951 ( 0.432 0.674 -5.721) 5.777 5.047 ( -0.906 -0.171 1.711) 1.944 5.166 ( 5.110 -4.646 -0.434) 6.920 5.255 ( 5.818 -5.401 -0.540) 7.957 5.341 ( 2.945 -1.802 -0.236) 3.461 5.440 ( 12.769 0.185 -2.694) 13.051 5.515 ( 6.921 -3.232 -3.506) 8.405 5.655 ( -7.357 -1.033 10.011) 12.467 5.891 ( 2.277 2.908 -0.072) 3.694 5.972 ( 2.308 -4.622 -3.437) 6.205 6.192 ( -5.029 2.794 -1.402) 5.922 6.404 ( -7.929 5.961 1.013) 9.972 6.486 ( -7.440 1.144 -2.820) 8.039 6.682 ( -2.701 5.282 -0.288) 5.940 6.933 ( -1.636 -5.105 0.158) 5.363 6.995 ( -4.738 -0.603 -0.436) 4.796 7.263 ( -5.376 -3.189 0.929) 6.319 7.534 ( -14.472 0.768 3.921) 15.014 7.691 ( -4.513 1.971 -15.943) 16.686 8.013 ( -5.959 -1.109 -1.156) 6.171 8.070 ( -5.477 -2.028 -5.378) 7.940 8.347 ( 1.548 4.960 3.912) 6.504 8.414 ( -4.667 5.869 6.927) 10.208 8.767 ( 13.075 -0.790 -4.193) 13.754 8.928 ( 3.013 6.278 1.640) 7.154 9.065 ( -8.273 -2.528 9.264) 12.675 9.171 ( 1.482 -2.102 -1.511) 2.983 9.578 ( -7.094 1.618 3.024) 7.879 9.726 ( -4.765 -2.392 -4.571) 7.023 10.002 ( 2.146 1.910 -9.122) 9.563 10.232 ( 0.670 18.621 1.628) 18.704 10.434 ( 6.045 3.406 -6.501) 9.508 10.666 ( 7.092 3.592 3.888) 8.849 10.726 ( 6.415 2.054 -1.033) 6.814 10.838 ( -2.373 3.729 2.078) 4.884 11.020 ( -1.210 3.840 -0.345) 4.041 11.172 ( -3.084 -0.447 -2.938) 4.283 11.322 ( -6.094 -6.351 0.505) 8.816 11.508 ( -5.767 0.274 -0.110) 5.774 11.693 ( -10.693 1.514 -4.246) 11.605 11.942 ( 2.842 8.990 9.682) 13.514 12.371 ( 3.785 -0.407 0.828) 3.896 12.515 ( 6.745 -0.007 -1.388) 6.886 12.808 ( -13.890 8.742 0.760) 16.430 12.879 ( -20.730 11.701 -3.338) 24.038 13.206 ( 0.876 0.594 -0.533) 1.185 13.225 ( -0.676 1.575 1.099) 2.036 14.036 ( 3.534 1.565 -0.134) 3.867 14.076 ( 4.634 0.060 -1.197) 4.787 15.945 ( 2.526 0.245 -7.980) 8.374 16.450 ( -1.928 25.620 9.266) 27.313 17.216 ( -2.406 -0.324 -0.826) 2.565 17.528 ( -1.012 -6.523 -4.400) 7.933 17.674 ( -7.869 6.770 0.775) 10.409 18.488 ( -14.975 -8.686 -9.859) 19.922 19.012 ( 10.595 3.391 4.564) 12.025 19.432 ( 11.968 -7.212 -2.374) 14.174 19.612 ( -9.815 13.720 -1.984) 16.985 19.765 ( -13.139 14.373 3.882) 19.856 19.935 ( 4.416 9.324 1.168) 10.382 20.579 ( 2.039 14.399 0.304) 14.546 20.888 ( -8.319 -11.607 -3.847) 14.789 21.060 ( -11.645 -10.431 -9.506) 18.297 21.800 ( -3.356 2.472 7.298) 8.404 21.937 ( -3.311 -3.490 1.151) 4.947 22.382 ( 0.861 -0.518 -2.352) 2.558 22.385 ( -1.694 -0.278 1.214) 2.103 22.777 ( 8.978 -4.175 0.191) 9.903 23.008 ( 13.155 -10.879 -3.169) 17.362 23.116 ( 5.790 -3.234 -0.585) 6.657 23.151 ( 9.941 -10.811 2.958) 14.982 ======================= Grid point 253 (102/102) ======================= q-point: (-0.09 -0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -21.005 -0.000 12.507) 24.447 0.594 ( -21.883 -0.000 14.979) 26.519 0.968 ( -13.538 -0.000 -4.799) 14.363 1.057 ( -29.278 -0.000 15.080) 32.933 1.265 ( -1.418 -0.000 -12.004) 12.088 1.401 ( -12.567 -0.000 -21.062) 24.526 1.854 ( -1.195 -0.000 5.103) 5.242 2.353 ( -1.051 -0.000 -5.533) 5.632 2.443 ( -12.741 -0.000 4.142) 13.397 2.506 ( -3.793 -0.000 -4.329) 5.756 2.797 ( -4.370 -0.000 10.121) 11.024 2.936 ( -1.819 -0.000 3.892) 4.296 2.976 ( 4.803 0.000 1.141) 4.937 3.071 ( 12.700 0.000 -4.865) 13.600 3.331 ( 7.106 0.000 -3.278) 7.826 3.375 ( -1.834 -0.000 2.729) 3.288 3.439 ( 0.192 0.000 2.188) 2.197 3.442 ( 1.812 0.000 -7.270) 7.492 3.454 ( -4.763 -0.000 1.992) 5.162 3.698 ( -2.529 -0.000 -7.228) 7.658 3.878 ( 3.994 0.000 -5.323) 6.655 3.886 ( 3.894 0.000 2.086) 4.418 3.898 ( -0.921 -0.000 4.197) 4.297 3.974 ( 2.636 0.000 -2.779) 3.831 4.274 ( -7.159 -0.000 8.167) 10.860 4.403 ( 3.343 0.000 -5.338) 6.298 4.711 ( 4.283 0.000 3.813) 5.735 4.724 ( 8.623 0.000 -3.562) 9.330 4.831 ( 3.062 0.000 -3.492) 4.645 4.863 ( -2.861 -0.000 1.197) 3.101 4.919 ( -5.185 -0.000 -3.314) 6.153 4.944 ( -5.525 -0.000 0.126) 5.527 5.054 ( 4.718 0.000 -0.443) 4.739 5.125 ( 2.790 0.000 2.257) 3.589 5.292 ( 16.429 0.000 -6.797) 17.779 5.334 ( 4.379 0.000 1.371) 4.589 5.530 ( 13.347 0.000 -3.902) 13.906 5.532 ( 7.351 0.000 -0.150) 7.352 5.601 ( -9.944 -0.000 7.708) 12.581 5.925 ( -0.507 -0.000 -3.517) 3.553 5.949 ( 4.790 0.000 1.170) 4.931 6.182 ( -9.293 -0.000 -5.997) 11.060 6.398 ( -14.588 -0.000 -0.732) 14.606 6.445 ( -9.278 -0.000 -8.138) 12.341 6.749 ( -3.227 -0.000 0.221) 3.235 6.846 ( 4.415 0.000 2.418) 5.034 6.964 ( -1.764 -0.000 -2.815) 3.322 7.163 ( -7.906 -0.000 -2.130) 8.188 7.420 ( -18.529 -0.000 8.657) 20.451 7.610 ( -10.418 -0.000 -16.491) 19.506 7.975 ( -11.228 -0.000 1.865) 11.382 7.988 ( 1.299 0.000 -6.740) 6.865 8.428 ( 5.397 0.000 1.930) 5.731 8.466 ( -3.450 -0.000 6.973) 7.780 8.865 ( 16.028 0.000 -8.243) 18.023 8.946 ( -14.419 -0.000 9.972) 17.531 8.974 ( -1.376 -0.000 4.056) 4.283 9.208 ( 4.889 0.000 -0.200) 4.893 9.549 ( -8.800 -0.000 8.265) 12.072 9.654 ( -0.593 -0.000 -9.503) 9.522 10.039 ( 3.170 0.000 -2.042) 3.771 10.453 ( -0.496 -0.000 -11.827) 11.837 10.502 ( 19.684 0.000 -3.523) 19.997 10.775 ( 7.954 0.000 2.332) 8.289 10.817 ( 7.298 0.000 -1.805) 7.518 10.878 ( 2.886 0.000 1.433) 3.222 11.105 ( -4.908 -0.000 0.445) 4.928 11.134 ( -2.018 -0.000 -3.179) 3.765 11.189 ( -1.407 -0.000 -3.554) 3.823 11.470 ( -4.171 -0.000 -0.652) 4.221 11.616 ( -11.089 -0.000 -3.282) 11.565 12.112 ( 0.310 0.000 -11.669) 11.673 12.440 ( 10.574 0.000 8.789) 13.750 12.549 ( 3.834 0.000 -1.665) 4.180 12.796 ( -33.823 -0.000 -14.021) 36.614 12.831 ( -9.644 -0.000 4.668) 10.715 13.211 ( 0.169 0.000 -1.109) 1.122 13.235 ( -1.436 -0.000 0.947) 1.720 14.071 ( 2.068 0.000 -0.369) 2.101 14.076 ( 2.331 0.000 0.317) 2.352 15.954 ( 4.882 0.000 -8.051) 9.415 16.967 ( 18.560 0.000 -13.023) 22.674 17.228 ( -23.335 -0.000 -17.577) 29.214 17.322 ( -1.358 -0.000 3.827) 4.060 17.871 ( -29.772 -0.000 -8.671) 31.009 17.918 ( -8.460 -0.000 0.090) 8.460 19.182 ( 17.620 0.000 10.305) 20.412 19.377 ( 14.694 0.000 1.272) 14.749 19.698 ( -3.408 -0.000 -0.414) 3.434 19.826 ( -14.230 -0.000 6.374) 15.592 20.179 ( -7.849 -0.000 -0.572) 7.870 20.523 ( -23.555 -0.000 -23.967) 33.604 20.792 ( -1.623 -0.000 1.278) 2.066 20.813 ( -1.276 -0.000 -1.971) 2.348 21.869 ( -1.436 -0.000 0.894) 1.691 21.897 ( -2.701 -0.000 -0.883) 2.842 22.361 ( -1.905 -0.000 2.363) 3.035 22.393 ( 0.684 0.000 -1.870) 1.991 22.820 ( 11.284 0.000 -3.426) 11.792 22.902 ( 17.696 0.000 11.899) 21.325 23.106 ( 2.412 0.000 1.221) 2.703 23.114 ( 2.852 0.000 -0.887) 2.987 =================== 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 3/37026 10.0 342.406 205.659 118.533 -0.000 -31.469 0.000 3/37026 20.0 87.202 63.799 30.268 -0.000 -10.908 0.000 3/37026 30.0 39.620 29.361 13.784 -0.000 -5.140 0.000 3/37026 40.0 23.766 17.560 8.377 -0.000 -3.167 0.000 3/37026 50.0 16.547 12.154 5.913 -0.000 -2.256 0.000 3/37026 60.0 12.593 9.189 4.553 -0.000 -1.747 0.000 3/37026 70.0 10.146 7.356 3.704 -0.000 -1.425 0.000 3/37026 80.0 8.496 6.123 3.127 -0.000 -1.204 0.000 3/37026 90.0 7.313 5.243 2.710 -0.000 -1.044 0.000 3/37026 100.0 6.425 4.586 2.394 -0.000 -0.922 0.000 3/37026 110.0 5.734 4.077 2.147 -0.000 -0.826 0.000 3/37026 120.0 5.181 3.673 1.948 -0.000 -0.749 0.000 3/37026 130.0 4.729 3.345 1.784 -0.000 -0.685 0.000 3/37026 140.0 4.353 3.073 1.647 -0.000 -0.632 0.000 3/37026 150.0 4.035 2.844 1.530 -0.000 -0.586 0.000 3/37026 160.0 3.762 2.649 1.430 -0.000 -0.547 0.000 3/37026 170.0 3.526 2.480 1.343 -0.000 -0.513 0.000 3/37026 180.0 3.319 2.334 1.266 -0.000 -0.483 0.000 3/37026 190.0 3.137 2.205 1.199 -0.000 -0.456 0.000 3/37026 200.0 2.974 2.090 1.138 -0.000 -0.433 0.000 3/37026 210.0 2.829 1.988 1.084 -0.000 -0.412 0.000 3/37026 220.0 2.697 1.896 1.035 -0.000 -0.392 0.000 3/37026 230.0 2.578 1.813 0.991 -0.000 -0.375 0.000 3/37026 240.0 2.470 1.738 0.950 -0.000 -0.359 0.000 3/37026 250.0 2.371 1.669 0.913 -0.000 -0.345 0.000 3/37026 260.0 2.280 1.605 0.879 -0.000 -0.331 0.000 3/37026 270.0 2.196 1.547 0.847 -0.000 -0.319 0.000 3/37026 280.0 2.118 1.493 0.818 -0.000 -0.308 0.000 3/37026 290.0 2.045 1.443 0.791 -0.000 -0.297 0.000 3/37026 300.0 1.978 1.396 0.765 -0.000 -0.287 0.000 3/37026 310.0 1.915 1.352 0.742 -0.000 -0.278 0.000 3/37026 320.0 1.856 1.311 0.719 -0.000 -0.270 0.000 3/37026 330.0 1.801 1.273 0.698 -0.000 -0.261 0.000 3/37026 340.0 1.749 1.237 0.679 -0.000 -0.254 0.000 3/37026 350.0 1.700 1.203 0.660 -0.000 -0.247 0.000 3/37026 360.0 1.653 1.171 0.643 -0.000 -0.240 0.000 3/37026 370.0 1.609 1.140 0.626 -0.000 -0.234 0.000 3/37026 380.0 1.568 1.111 0.610 -0.000 -0.228 0.000 3/37026 390.0 1.529 1.084 0.595 -0.000 -0.222 0.000 3/37026 400.0 1.491 1.058 0.581 -0.000 -0.216 0.000 3/37026 410.0 1.455 1.033 0.568 -0.000 -0.211 0.000 3/37026 420.0 1.422 1.009 0.555 -0.000 -0.206 0.000 3/37026 430.0 1.389 0.987 0.542 -0.000 -0.202 0.000 3/37026 440.0 1.358 0.965 0.531 -0.000 -0.197 0.000 3/37026 450.0 1.329 0.945 0.519 -0.000 -0.193 0.000 3/37026 460.0 1.300 0.925 0.508 -0.000 -0.189 0.000 3/37026 470.0 1.273 0.906 0.498 -0.000 -0.185 0.000 3/37026 480.0 1.247 0.888 0.488 -0.000 -0.181 0.000 3/37026 490.0 1.222 0.870 0.479 -0.000 -0.177 0.000 3/37026 500.0 1.198 0.853 0.469 -0.000 -0.174 0.000 3/37026 510.0 1.175 0.837 0.460 -0.000 -0.170 0.000 3/37026 520.0 1.153 0.822 0.452 -0.000 -0.167 0.000 3/37026 530.0 1.132 0.807 0.444 -0.000 -0.164 0.000 3/37026 540.0 1.111 0.792 0.436 -0.000 -0.161 0.000 3/37026 550.0 1.091 0.778 0.428 -0.000 -0.158 0.000 3/37026 560.0 1.072 0.765 0.421 -0.000 -0.155 0.000 3/37026 570.0 1.054 0.752 0.414 -0.000 -0.153 0.000 3/37026 580.0 1.036 0.739 0.407 -0.000 -0.150 0.000 3/37026 590.0 1.019 0.727 0.400 -0.000 -0.148 0.000 3/37026 600.0 1.002 0.715 0.394 -0.000 -0.145 0.000 3/37026 610.0 0.986 0.704 0.387 -0.000 -0.143 0.000 3/37026 620.0 0.970 0.693 0.381 -0.000 -0.141 0.000 3/37026 630.0 0.955 0.682 0.375 -0.000 -0.138 0.000 3/37026 640.0 0.940 0.672 0.370 -0.000 -0.136 0.000 3/37026 650.0 0.926 0.662 0.364 -0.000 -0.134 0.000 3/37026 660.0 0.912 0.652 0.359 -0.000 -0.132 0.000 3/37026 670.0 0.899 0.642 0.354 -0.000 -0.130 0.000 3/37026 680.0 0.886 0.633 0.349 -0.000 -0.128 0.000 3/37026 690.0 0.873 0.624 0.344 -0.000 -0.127 0.000 3/37026 700.0 0.861 0.616 0.339 -0.000 -0.125 0.000 3/37026 710.0 0.849 0.607 0.334 -0.000 -0.123 0.000 3/37026 720.0 0.837 0.599 0.330 -0.000 -0.121 0.000 3/37026 730.0 0.826 0.591 0.325 -0.000 -0.120 0.000 3/37026 740.0 0.815 0.583 0.321 -0.000 -0.118 0.000 3/37026 750.0 0.804 0.575 0.317 -0.000 -0.117 0.000 3/37026 760.0 0.794 0.568 0.313 -0.000 -0.115 0.000 3/37026 770.0 0.783 0.561 0.309 -0.000 -0.114 0.000 3/37026 780.0 0.774 0.554 0.305 -0.000 -0.112 0.000 3/37026 790.0 0.764 0.547 0.301 -0.000 -0.111 0.000 3/37026 800.0 0.754 0.540 0.297 -0.000 -0.109 0.000 3/37026 810.0 0.745 0.534 0.294 -0.000 -0.108 0.000 3/37026 820.0 0.736 0.527 0.290 -0.000 -0.107 0.000 3/37026 830.0 0.727 0.521 0.287 -0.000 -0.105 0.000 3/37026 840.0 0.719 0.515 0.284 -0.000 -0.104 0.000 3/37026 850.0 0.711 0.509 0.280 -0.000 -0.103 0.000 3/37026 860.0 0.702 0.503 0.277 -0.000 -0.102 0.000 3/37026 870.0 0.694 0.498 0.274 -0.000 -0.101 0.000 3/37026 880.0 0.687 0.492 0.271 -0.000 -0.100 0.000 3/37026 890.0 0.679 0.487 0.268 -0.000 -0.098 0.000 3/37026 900.0 0.671 0.481 0.265 -0.000 -0.097 0.000 3/37026 910.0 0.664 0.476 0.262 -0.000 -0.096 0.000 3/37026 920.0 0.657 0.471 0.259 -0.000 -0.095 0.000 3/37026 930.0 0.650 0.466 0.257 -0.000 -0.094 0.000 3/37026 940.0 0.643 0.461 0.254 -0.000 -0.093 0.000 3/37026 950.0 0.636 0.456 0.251 -0.000 -0.092 0.000 3/37026 960.0 0.630 0.452 0.249 -0.000 -0.091 0.000 3/37026 970.0 0.623 0.447 0.246 -0.000 -0.090 0.000 3/37026 980.0 0.617 0.443 0.244 -0.000 -0.089 0.000 3/37026 990.0 0.611 0.438 0.241 -0.000 -0.089 0.000 3/37026 1000.0 0.605 0.434 0.239 -0.000 -0.088 0.000 3/37026 Thermal conductivity related properties were written into "kappa-m11113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:10:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|