----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:39:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.703322190520930 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): *1 Ba 0.64128420637858 0.14774678641887 0.89473613577112 137.327 2 Ba 0.64128420637858 0.35225321358113 0.39473613577112 137.327 3 Ba 0.35871579362142 0.85225321358113 0.10526386422888 137.327 4 Ba 0.35871579362142 0.64774678641887 0.60526386422888 137.327 *5 Ba 0.03573658857405 0.05013528790309 0.31670397333118 137.327 6 Ba 0.03573658857405 0.44986471209691 0.81670397333118 137.327 7 Ba 0.96426341142595 0.94986471209691 0.68329602666882 137.327 8 Ba 0.96426341142595 0.55013528790309 0.18329602666882 137.327 *9 H 0.43275218644792 0.04843521808813 0.61917708166115 1.008 10 H 0.43275218644792 0.45156478191187 0.11917708166115 1.008 11 H 0.56724781355208 0.95156478191187 0.38082291833885 1.008 12 H 0.56724781355208 0.54843521808813 0.88082291833885 1.008 *13 H 0.80473643088907 0.85082762631535 0.01718456826692 1.008 14 H 0.80473643088907 0.64917237368465 0.51718456826691 1.008 15 H 0.19526356911093 0.14917237368465 0.98281543173309 1.008 16 H 0.19526356911093 0.35082762631535 0.48281543173308 1.008 *17 H 0.81659162671085 0.71804108940393 0.88243438663124 1.008 18 H 0.81659162671085 0.78195891059607 0.38243438663124 1.008 19 H 0.18340837328915 0.28195891059607 0.11756561336876 1.008 20 H 0.18340837328915 0.21804108940393 0.61756561336876 1.008 *21 H 0.47114268957664 0.73672838616916 0.41353085504550 1.008 22 H 0.47114268957664 0.76327161383084 0.91353085504550 1.008 23 H 0.52885731042336 0.26327161383084 0.58646914495450 1.008 24 H 0.52885731042336 0.23672838616916 0.08646914495451 1.008 *25 O 0.29530611289763 0.99939940477146 0.61907220822137 15.999 26 O 0.29530611289763 0.50060059522854 0.11907220822137 15.999 27 O 0.70469388710237 0.00060059522854 0.38092779177863 15.999 28 O 0.70469388710237 0.49939940477146 0.88092779177863 15.999 *29 O 0.73354193663171 0.86121749487879 0.07810507083613 15.999 30 O 0.73354193663171 0.63878250512121 0.57810507083613 15.999 31 O 0.26645806336829 0.13878250512121 0.92189492916387 15.999 32 O 0.26645806336829 0.36121749487879 0.42189492916387 15.999 *33 O 0.88562511643163 0.83553235020513 0.89572546593304 15.999 34 O 0.88562511643163 0.66446764979487 0.39572546593304 15.999 35 O 0.11437488356837 0.16446764979487 0.10427453406696 15.999 36 O 0.11437488356837 0.33553235020513 0.60427453406696 15.999 *37 O 0.32322557165542 0.79989196195537 0.34389835080266 15.999 38 O 0.32322557165542 0.70010803804463 0.84389835080266 15.999 39 O 0.67677442834458 0.20010803804463 0.65610164919734 15.999 40 O 0.67677442834458 0.29989196195537 0.15610164919734 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.703322190520930 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): *1 Ba 0.64128420637858 0.14774678641887 0.89473613577112 137.327 > 1 2 Ba 0.64128420637858 0.35225321358113 0.39473613577112 137.327 > 2 3 Ba 0.35871579362142 0.85225321358113 0.10526386422888 137.327 > 3 4 Ba 0.35871579362142 0.64774678641887 0.60526386422888 137.327 > 4 *5 Ba 0.03573658857405 0.05013528790309 0.31670397333118 137.327 > 5 6 Ba 0.03573658857405 0.44986471209691 0.81670397333118 137.327 > 6 7 Ba 0.96426341142595 0.94986471209691 0.68329602666882 137.327 > 7 8 Ba 0.96426341142595 0.55013528790309 0.18329602666882 137.327 > 8 *9 H 0.43275218644792 0.04843521808813 0.61917708166115 1.008 > 9 10 H 0.43275218644792 0.45156478191187 0.11917708166115 1.008 > 10 11 H 0.56724781355208 0.95156478191187 0.38082291833885 1.008 > 11 12 H 0.56724781355208 0.54843521808813 0.88082291833885 1.008 > 12 *13 H 0.80473643088907 0.85082762631535 0.01718456826692 1.008 > 13 14 H 0.80473643088907 0.64917237368465 0.51718456826691 1.008 > 14 15 H 0.19526356911093 0.14917237368465 0.98281543173309 1.008 > 15 16 H 0.19526356911093 0.35082762631535 0.48281543173308 1.008 > 16 *17 H 0.81659162671085 0.71804108940393 0.88243438663124 1.008 > 17 18 H 0.81659162671085 0.78195891059607 0.38243438663124 1.008 > 18 19 H 0.18340837328915 0.28195891059607 0.11756561336876 1.008 > 19 20 H 0.18340837328915 0.21804108940393 0.61756561336876 1.008 > 20 *21 H 0.47114268957664 0.73672838616916 0.41353085504550 1.008 > 21 22 H 0.47114268957664 0.76327161383084 0.91353085504550 1.008 > 22 23 H 0.52885731042336 0.26327161383084 0.58646914495450 1.008 > 23 24 H 0.52885731042336 0.23672838616916 0.08646914495451 1.008 > 24 *25 O 0.29530611289763 0.99939940477146 0.61907220822137 15.999 > 25 26 O 0.29530611289763 0.50060059522854 0.11907220822137 15.999 > 26 27 O 0.70469388710237 0.00060059522854 0.38092779177863 15.999 > 27 28 O 0.70469388710237 0.49939940477146 0.88092779177863 15.999 > 28 *29 O 0.73354193663171 0.86121749487879 0.07810507083613 15.999 > 29 30 O 0.73354193663171 0.63878250512121 0.57810507083613 15.999 > 30 31 O 0.26645806336829 0.13878250512121 0.92189492916387 15.999 > 31 32 O 0.26645806336829 0.36121749487879 0.42189492916387 15.999 > 32 *33 O 0.88562511643163 0.83553235020513 0.89572546593304 15.999 > 33 34 O 0.88562511643163 0.66446764979487 0.39572546593304 15.999 > 34 35 O 0.11437488356837 0.16446764979487 0.10427453406696 15.999 > 35 36 O 0.11437488356837 0.33553235020513 0.60427453406696 15.999 > 36 *37 O 0.32322557165542 0.79989196195537 0.34389835080266 15.999 > 37 38 O 0.32322557165542 0.70010803804463 0.84389835080266 15.999 > 38 39 O 0.67677442834458 0.20010803804463 0.65610164919734 15.999 > 39 40 O 0.67677442834458 0.29989196195537 0.15610164919734 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.406644381041859 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): *1 Ba 0.32064210318929 0.14774678641887 0.89473613577112 137.327 > 1 2 Ba 0.82064210318929 0.14774678641887 0.89473613577112 137.327 > 1 3 Ba 0.32064210318929 0.35225321358113 0.39473613577112 137.327 > 2 4 Ba 0.82064210318929 0.35225321358113 0.39473613577112 137.327 > 2 5 Ba 0.17935789681071 0.85225321358113 0.10526386422888 137.327 > 3 6 Ba 0.67935789681071 0.85225321358113 0.10526386422888 137.327 > 3 7 Ba 0.17935789681071 0.64774678641887 0.60526386422888 137.327 > 4 8 Ba 0.67935789681071 0.64774678641887 0.60526386422888 137.327 > 4 *9 Ba 0.01786829428702 0.05013528790309 0.31670397333118 137.327 > 5 10 Ba 0.51786829428702 0.05013528790309 0.31670397333118 137.327 > 5 11 Ba 0.01786829428702 0.44986471209691 0.81670397333118 137.327 > 6 12 Ba 0.51786829428702 0.44986471209691 0.81670397333118 137.327 > 6 13 Ba 0.48213170571298 0.94986471209691 0.68329602666882 137.327 > 7 14 Ba 0.98213170571298 0.94986471209691 0.68329602666882 137.327 > 7 15 Ba 0.48213170571298 0.55013528790309 0.18329602666882 137.327 > 8 16 Ba 0.98213170571298 0.55013528790309 0.18329602666882 137.327 > 8 *17 H 0.21637609322396 0.04843521808813 0.61917708166115 1.008 > 9 18 H 0.71637609322396 0.04843521808813 0.61917708166115 1.008 > 9 19 H 0.21637609322396 0.45156478191187 0.11917708166115 1.008 > 10 20 H 0.71637609322396 0.45156478191187 0.11917708166115 1.008 > 10 21 H 0.28362390677604 0.95156478191187 0.38082291833885 1.008 > 11 22 H 0.78362390677604 0.95156478191187 0.38082291833885 1.008 > 11 23 H 0.28362390677604 0.54843521808813 0.88082291833885 1.008 > 12 24 H 0.78362390677604 0.54843521808813 0.88082291833885 1.008 > 12 *25 H 0.40236821544453 0.85082762631535 0.01718456826692 1.008 > 13 26 H 0.90236821544453 0.85082762631535 0.01718456826692 1.008 > 13 27 H 0.40236821544453 0.64917237368465 0.51718456826691 1.008 > 14 28 H 0.90236821544453 0.64917237368465 0.51718456826691 1.008 > 14 29 H 0.09763178455547 0.14917237368465 0.98281543173309 1.008 > 15 30 H 0.59763178455547 0.14917237368465 0.98281543173309 1.008 > 15 31 H 0.09763178455547 0.35082762631535 0.48281543173308 1.008 > 16 32 H 0.59763178455547 0.35082762631535 0.48281543173308 1.008 > 16 *33 H 0.40829581335542 0.71804108940393 0.88243438663124 1.008 > 17 34 H 0.90829581335542 0.71804108940393 0.88243438663124 1.008 > 17 35 H 0.40829581335542 0.78195891059607 0.38243438663124 1.008 > 18 36 H 0.90829581335542 0.78195891059607 0.38243438663124 1.008 > 18 37 H 0.09170418664458 0.28195891059607 0.11756561336876 1.008 > 19 38 H 0.59170418664458 0.28195891059607 0.11756561336876 1.008 > 19 39 H 0.09170418664458 0.21804108940393 0.61756561336876 1.008 > 20 40 H 0.59170418664458 0.21804108940393 0.61756561336876 1.008 > 20 *41 H 0.23557134478832 0.73672838616916 0.41353085504550 1.008 > 21 42 H 0.73557134478832 0.73672838616916 0.41353085504550 1.008 > 21 43 H 0.23557134478832 0.76327161383084 0.91353085504550 1.008 > 22 44 H 0.73557134478832 0.76327161383084 0.91353085504550 1.008 > 22 45 H 0.26442865521168 0.26327161383084 0.58646914495450 1.008 > 23 46 H 0.76442865521168 0.26327161383084 0.58646914495450 1.008 > 23 47 H 0.26442865521168 0.23672838616916 0.08646914495451 1.008 > 24 48 H 0.76442865521168 0.23672838616916 0.08646914495451 1.008 > 24 *49 O 0.14765305644882 0.99939940477146 0.61907220822137 15.999 > 25 50 O 0.64765305644882 0.99939940477146 0.61907220822137 15.999 > 25 51 O 0.14765305644882 0.50060059522854 0.11907220822137 15.999 > 26 52 O 0.64765305644882 0.50060059522854 0.11907220822137 15.999 > 26 53 O 0.35234694355118 0.00060059522854 0.38092779177863 15.999 > 27 54 O 0.85234694355118 0.00060059522854 0.38092779177863 15.999 > 27 55 O 0.35234694355118 0.49939940477146 0.88092779177863 15.999 > 28 56 O 0.85234694355118 0.49939940477146 0.88092779177863 15.999 > 28 *57 O 0.36677096831586 0.86121749487879 0.07810507083613 15.999 > 29 58 O 0.86677096831586 0.86121749487879 0.07810507083613 15.999 > 29 59 O 0.36677096831586 0.63878250512121 0.57810507083613 15.999 > 30 60 O 0.86677096831586 0.63878250512121 0.57810507083613 15.999 > 30 61 O 0.13322903168414 0.13878250512121 0.92189492916387 15.999 > 31 62 O 0.63322903168414 0.13878250512121 0.92189492916387 15.999 > 31 63 O 0.13322903168414 0.36121749487879 0.42189492916387 15.999 > 32 64 O 0.63322903168414 0.36121749487879 0.42189492916387 15.999 > 32 *65 O 0.44281255821582 0.83553235020513 0.89572546593304 15.999 > 33 66 O 0.94281255821582 0.83553235020513 0.89572546593304 15.999 > 33 67 O 0.44281255821582 0.66446764979487 0.39572546593304 15.999 > 34 68 O 0.94281255821582 0.66446764979487 0.39572546593304 15.999 > 34 69 O 0.05718744178418 0.16446764979487 0.10427453406696 15.999 > 35 70 O 0.55718744178418 0.16446764979487 0.10427453406696 15.999 > 35 71 O 0.05718744178418 0.33553235020513 0.60427453406696 15.999 > 36 72 O 0.55718744178418 0.33553235020513 0.60427453406696 15.999 > 36 *73 O 0.16161278582771 0.79989196195537 0.34389835080266 15.999 > 37 74 O 0.66161278582771 0.79989196195537 0.34389835080266 15.999 > 37 75 O 0.16161278582771 0.70010803804463 0.84389835080266 15.999 > 38 76 O 0.66161278582771 0.70010803804463 0.84389835080266 15.999 > 38 77 O 0.33838721417229 0.20010803804463 0.65610164919734 15.999 > 39 78 O 0.83838721417229 0.20010803804463 0.65610164919734 15.999 > 39 79 O 0.33838721417229 0.29989196195537 0.15610164919734 15.999 > 40 80 O 0.83838721417229 0.29989196195537 0.15610164919734 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2917211 0.0000000 -0.0272114 0.0000000 3.3018934 0.0000000 -0.0272117 0.0000000 3.3509122 -------------------------- Born effective charges -------------------------- 1 Ba 2.6342927 0.0767523 -0.0263110 0.0652161 2.5470554 -0.0107385 -0.0554562 -0.0744485 2.6470497 2 Ba 2.6342927 -0.0767523 -0.0263110 -0.0652161 2.5470554 0.0107385 -0.0554562 0.0744485 2.6470497 3 Ba 2.6342927 0.0767523 -0.0263110 0.0652161 2.5470554 -0.0107385 -0.0554562 -0.0744485 2.6470497 4 Ba 2.6342927 -0.0767523 -0.0263110 -0.0652161 2.5470554 0.0107385 -0.0554562 0.0744485 2.6470497 5 Ba 2.6209705 -0.0288584 -0.0521469 0.0085524 2.6311857 0.0078033 -0.0377588 -0.0226255 2.6686094 6 Ba 2.6209705 0.0288584 -0.0521469 -0.0085524 2.6311857 -0.0078033 -0.0377588 0.0226255 2.6686094 7 Ba 2.6209705 -0.0288584 -0.0521469 0.0085524 2.6311857 0.0078033 -0.0377588 -0.0226255 2.6686094 8 Ba 2.6209705 0.0288584 -0.0521469 -0.0085524 2.6311857 -0.0078033 -0.0377588 0.0226255 2.6686094 9 H 0.7208423 0.3334979 0.1332845 0.3432866 0.5050517 0.0538009 0.1133074 0.0407787 0.3320330 10 H 0.7208423 -0.3334979 0.1332845 -0.3432866 0.5050517 -0.0538009 0.1133074 -0.0407787 0.3320330 11 H 0.7208423 0.3334979 0.1332845 0.3432866 0.5050517 0.0538009 0.1133074 0.0407787 0.3320330 12 H 0.7208423 -0.3334979 0.1332845 -0.3432866 0.5050517 -0.0538009 0.1133074 -0.0407787 0.3320330 13 H 0.9020767 -0.0582548 -0.5773274 -0.0840569 0.3120361 0.0546127 -0.5338979 0.0381167 0.6604653 14 H 0.9020767 0.0582548 -0.5773274 0.0840569 0.3120361 -0.0546127 -0.5338979 -0.0381167 0.6604653 15 H 0.9020767 -0.0582548 -0.5773274 -0.0840569 0.3120361 0.0546127 -0.5338979 0.0381167 0.6604653 16 H 0.9020767 0.0582548 -0.5773274 0.0840569 0.3120361 -0.0546127 -0.5338979 -0.0381167 0.6604653 17 H 0.3844700 0.2550556 -0.0140428 0.2618789 0.8527095 0.0601735 -0.0187116 0.0496851 0.2641296 18 H 0.3844700 -0.2550556 -0.0140428 -0.2618789 0.8527095 -0.0601735 -0.0187116 -0.0496851 0.2641296 19 H 0.3844700 0.2550556 -0.0140428 0.2618789 0.8527095 0.0601735 -0.0187116 0.0496851 0.2641296 20 H 0.3844700 -0.2550556 -0.0140428 -0.2618789 0.8527095 -0.0601735 -0.0187116 -0.0496851 0.2641296 21 H 0.4695144 -0.0839836 0.2594466 -0.0920876 0.3996904 -0.2959475 0.2440667 -0.2691251 0.7145367 22 H 0.4695144 0.0839836 0.2594466 0.0920876 0.3996904 0.2959475 0.2440667 0.2691251 0.7145367 23 H 0.4695144 -0.0839836 0.2594466 -0.0920876 0.3996904 -0.2959475 0.2440667 -0.2691251 0.7145367 24 H 0.4695144 0.0839836 0.2594466 0.0920876 0.3996904 0.2959475 0.2440667 0.2691251 0.7145367 25 O -1.7735145 -0.0588678 -0.0435451 -0.1132537 -1.9733086 -0.0700455 -0.0160444 -0.0448648 -1.7236330 26 O -1.7735145 0.0588678 -0.0435451 0.1132537 -1.9733086 0.0700455 -0.0160444 0.0448648 -1.7236330 27 O -1.7735145 -0.0588678 -0.0435451 -0.1132537 -1.9733086 -0.0700455 -0.0160444 -0.0448648 -1.7236330 28 O -1.7735145 0.0588678 -0.0435451 0.1132537 -1.9733086 0.0700455 -0.0160444 0.0448648 -1.7236330 29 O -2.0461357 0.0104680 0.1488082 0.0362564 -1.7968171 -0.1151362 0.1595174 -0.0459608 -2.0056368 30 O -2.0461357 -0.0104680 0.1488082 -0.0362564 -1.7968171 0.1151362 0.1595174 0.0459608 -2.0056368 31 O -2.0461357 0.0104680 0.1488082 0.0362564 -1.7968171 -0.1151362 0.1595174 -0.0459608 -2.0056368 32 O -2.0461357 -0.0104680 0.1488082 -0.0362564 -1.7968171 0.1151362 0.1595174 0.0459608 -2.0056368 33 O -1.9396756 -0.0637711 0.2370485 -0.0732603 -1.7303870 -0.0248326 0.2017142 0.0247966 -1.7281627 34 O -1.9396756 0.0637711 0.2370485 0.0732603 -1.7303870 0.0248326 0.2017142 -0.0247966 -1.7281627 35 O -1.9396756 -0.0637711 0.2370485 -0.0732603 -1.7303870 -0.0248326 0.2017142 0.0247966 -1.7281627 36 O -1.9396756 0.0637711 0.2370485 0.0732603 -1.7303870 0.0248326 0.2017142 -0.0247966 -1.7281627 37 O -1.9728410 -0.0943180 -0.0652145 -0.0459745 -1.7472161 0.1399956 -0.0567367 0.2038178 -1.8293912 38 O -1.9728410 0.0943180 -0.0652145 0.0459745 -1.7472161 -0.1399956 -0.0567367 -0.2038178 -1.8293912 39 O -1.9728410 -0.0943180 -0.0652145 -0.0459745 -1.7472161 0.1399956 -0.0567367 0.2038178 -1.8293912 40 O -1.9728410 0.0943180 -0.0652145 0.0459745 -1.7472161 -0.1399956 -0.0567367 -0.2038178 -1.8293912 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.691 Solver_block: 200 / 1200 - Time: 0.567 Solver_block: 300 / 1200 - Time: 0.570 Solver_block: 400 / 1200 - Time: 0.569 Solver_block: 500 / 1200 - Time: 0.572 Solver_block: 600 / 1200 - Time: 0.573 Solver_block: 700 / 1200 - Time: 0.574 Solver_block: 800 / 1200 - Time: 0.570 Solver_block: 900 / 1200 - Time: 0.571 Solver_block: 1000 / 1200 - Time: 0.574 Solver_block: 1100 / 1200 - Time: 0.568 Solver_block: 1200 / 1200 - Time: 0.568 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.150 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), 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 20:40:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:40:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.703322190520930 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): 1 Ba 0.64128420637858 0.14774678641887 0.89473613577112 137.327 2 Ba 0.64128420637858 0.35225321358113 0.39473613577112 137.327 3 Ba 0.35871579362142 0.85225321358113 0.10526386422888 137.327 4 Ba 0.35871579362142 0.64774678641887 0.60526386422888 137.327 5 Ba 0.03573658857405 0.05013528790309 0.31670397333118 137.327 6 Ba 0.03573658857405 0.44986471209691 0.81670397333118 137.327 7 Ba 0.96426341142595 0.94986471209691 0.68329602666882 137.327 8 Ba 0.96426341142595 0.55013528790309 0.18329602666882 137.327 9 H 0.43275218644792 0.04843521808813 0.61917708166115 1.008 10 H 0.43275218644792 0.45156478191187 0.11917708166115 1.008 11 H 0.56724781355208 0.95156478191187 0.38082291833885 1.008 12 H 0.56724781355208 0.54843521808813 0.88082291833885 1.008 13 H 0.80473643088907 0.85082762631535 0.01718456826692 1.008 14 H 0.80473643088907 0.64917237368465 0.51718456826691 1.008 15 H 0.19526356911093 0.14917237368465 0.98281543173309 1.008 16 H 0.19526356911093 0.35082762631535 0.48281543173308 1.008 17 H 0.81659162671085 0.71804108940393 0.88243438663124 1.008 18 H 0.81659162671085 0.78195891059607 0.38243438663124 1.008 19 H 0.18340837328915 0.28195891059607 0.11756561336876 1.008 20 H 0.18340837328915 0.21804108940393 0.61756561336876 1.008 21 H 0.47114268957664 0.73672838616916 0.41353085504550 1.008 22 H 0.47114268957664 0.76327161383084 0.91353085504550 1.008 23 H 0.52885731042336 0.26327161383084 0.58646914495450 1.008 24 H 0.52885731042336 0.23672838616916 0.08646914495451 1.008 25 O 0.29530611289763 0.99939940477146 0.61907220822137 15.999 26 O 0.29530611289763 0.50060059522854 0.11907220822137 15.999 27 O 0.70469388710237 0.00060059522854 0.38092779177863 15.999 28 O 0.70469388710237 0.49939940477146 0.88092779177863 15.999 29 O 0.73354193663171 0.86121749487879 0.07810507083613 15.999 30 O 0.73354193663171 0.63878250512121 0.57810507083613 15.999 31 O 0.26645806336829 0.13878250512121 0.92189492916387 15.999 32 O 0.26645806336829 0.36121749487879 0.42189492916387 15.999 33 O 0.88562511643163 0.83553235020513 0.89572546593304 15.999 34 O 0.88562511643163 0.66446764979487 0.39572546593304 15.999 35 O 0.11437488356837 0.16446764979487 0.10427453406696 15.999 36 O 0.11437488356837 0.33553235020513 0.60427453406696 15.999 37 O 0.32322557165542 0.79989196195537 0.34389835080266 15.999 38 O 0.32322557165542 0.70010803804463 0.84389835080266 15.999 39 O 0.67677442834458 0.20010803804463 0.65610164919734 15.999 40 O 0.67677442834458 0.29989196195537 0.15610164919734 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.406644381041859 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): 1 Ba 0.32064210318929 0.14774678641887 0.89473613577112 137.327 > 1 2 Ba 0.82064210318929 0.14774678641887 0.89473613577112 137.327 > 1 3 Ba 0.32064210318929 0.35225321358113 0.39473613577112 137.327 > 3 4 Ba 0.82064210318929 0.35225321358113 0.39473613577112 137.327 > 3 5 Ba 0.17935789681071 0.85225321358113 0.10526386422888 137.327 > 5 6 Ba 0.67935789681071 0.85225321358113 0.10526386422888 137.327 > 5 7 Ba 0.17935789681071 0.64774678641887 0.60526386422888 137.327 > 7 8 Ba 0.67935789681071 0.64774678641887 0.60526386422888 137.327 > 7 9 Ba 0.01786829428702 0.05013528790309 0.31670397333118 137.327 > 9 10 Ba 0.51786829428702 0.05013528790309 0.31670397333118 137.327 > 9 11 Ba 0.01786829428702 0.44986471209691 0.81670397333118 137.327 > 11 12 Ba 0.51786829428702 0.44986471209691 0.81670397333118 137.327 > 11 13 Ba 0.48213170571298 0.94986471209691 0.68329602666882 137.327 > 13 14 Ba 0.98213170571298 0.94986471209691 0.68329602666882 137.327 > 13 15 Ba 0.48213170571298 0.55013528790309 0.18329602666882 137.327 > 15 16 Ba 0.98213170571298 0.55013528790309 0.18329602666882 137.327 > 15 17 H 0.21637609322396 0.04843521808813 0.61917708166115 1.008 > 17 18 H 0.71637609322396 0.04843521808813 0.61917708166115 1.008 > 17 19 H 0.21637609322396 0.45156478191187 0.11917708166115 1.008 > 19 20 H 0.71637609322396 0.45156478191187 0.11917708166115 1.008 > 19 21 H 0.28362390677604 0.95156478191187 0.38082291833885 1.008 > 21 22 H 0.78362390677604 0.95156478191187 0.38082291833885 1.008 > 21 23 H 0.28362390677604 0.54843521808813 0.88082291833885 1.008 > 23 24 H 0.78362390677604 0.54843521808813 0.88082291833885 1.008 > 23 25 H 0.40236821544453 0.85082762631535 0.01718456826692 1.008 > 25 26 H 0.90236821544453 0.85082762631535 0.01718456826692 1.008 > 25 27 H 0.40236821544453 0.64917237368465 0.51718456826691 1.008 > 27 28 H 0.90236821544453 0.64917237368465 0.51718456826691 1.008 > 27 29 H 0.09763178455547 0.14917237368465 0.98281543173309 1.008 > 29 30 H 0.59763178455547 0.14917237368465 0.98281543173309 1.008 > 29 31 H 0.09763178455547 0.35082762631535 0.48281543173308 1.008 > 31 32 H 0.59763178455547 0.35082762631535 0.48281543173308 1.008 > 31 33 H 0.40829581335542 0.71804108940393 0.88243438663124 1.008 > 33 34 H 0.90829581335542 0.71804108940393 0.88243438663124 1.008 > 33 35 H 0.40829581335542 0.78195891059607 0.38243438663124 1.008 > 35 36 H 0.90829581335542 0.78195891059607 0.38243438663124 1.008 > 35 37 H 0.09170418664458 0.28195891059607 0.11756561336876 1.008 > 37 38 H 0.59170418664458 0.28195891059607 0.11756561336876 1.008 > 37 39 H 0.09170418664458 0.21804108940393 0.61756561336876 1.008 > 39 40 H 0.59170418664458 0.21804108940393 0.61756561336876 1.008 > 39 41 H 0.23557134478832 0.73672838616916 0.41353085504550 1.008 > 41 42 H 0.73557134478832 0.73672838616916 0.41353085504550 1.008 > 41 43 H 0.23557134478832 0.76327161383084 0.91353085504550 1.008 > 43 44 H 0.73557134478832 0.76327161383084 0.91353085504550 1.008 > 43 45 H 0.26442865521168 0.26327161383084 0.58646914495450 1.008 > 45 46 H 0.76442865521168 0.26327161383084 0.58646914495450 1.008 > 45 47 H 0.26442865521168 0.23672838616916 0.08646914495451 1.008 > 47 48 H 0.76442865521168 0.23672838616916 0.08646914495451 1.008 > 47 49 O 0.14765305644882 0.99939940477146 0.61907220822137 15.999 > 49 50 O 0.64765305644882 0.99939940477146 0.61907220822137 15.999 > 49 51 O 0.14765305644882 0.50060059522854 0.11907220822137 15.999 > 51 52 O 0.64765305644882 0.50060059522854 0.11907220822137 15.999 > 51 53 O 0.35234694355118 0.00060059522854 0.38092779177863 15.999 > 53 54 O 0.85234694355118 0.00060059522854 0.38092779177863 15.999 > 53 55 O 0.35234694355118 0.49939940477146 0.88092779177863 15.999 > 55 56 O 0.85234694355118 0.49939940477146 0.88092779177863 15.999 > 55 57 O 0.36677096831586 0.86121749487879 0.07810507083613 15.999 > 57 58 O 0.86677096831586 0.86121749487879 0.07810507083613 15.999 > 57 59 O 0.36677096831586 0.63878250512121 0.57810507083613 15.999 > 59 60 O 0.86677096831586 0.63878250512121 0.57810507083613 15.999 > 59 61 O 0.13322903168414 0.13878250512121 0.92189492916387 15.999 > 61 62 O 0.63322903168414 0.13878250512121 0.92189492916387 15.999 > 61 63 O 0.13322903168414 0.36121749487879 0.42189492916387 15.999 > 63 64 O 0.63322903168414 0.36121749487879 0.42189492916387 15.999 > 63 65 O 0.44281255821582 0.83553235020513 0.89572546593304 15.999 > 65 66 O 0.94281255821582 0.83553235020513 0.89572546593304 15.999 > 65 67 O 0.44281255821582 0.66446764979487 0.39572546593304 15.999 > 67 68 O 0.94281255821582 0.66446764979487 0.39572546593304 15.999 > 67 69 O 0.05718744178418 0.16446764979487 0.10427453406696 15.999 > 69 70 O 0.55718744178418 0.16446764979487 0.10427453406696 15.999 > 69 71 O 0.05718744178418 0.33553235020513 0.60427453406696 15.999 > 71 72 O 0.55718744178418 0.33553235020513 0.60427453406696 15.999 > 71 73 O 0.16161278582771 0.79989196195537 0.34389835080266 15.999 > 73 74 O 0.66161278582771 0.79989196195537 0.34389835080266 15.999 > 73 75 O 0.16161278582771 0.70010803804463 0.84389835080266 15.999 > 75 76 O 0.66161278582771 0.70010803804463 0.84389835080266 15.999 > 75 77 O 0.33838721417229 0.20010803804463 0.65610164919734 15.999 > 77 78 O 0.83838721417229 0.20010803804463 0.65610164919734 15.999 > 77 79 O 0.33838721417229 0.29989196195537 0.15610164919734 15.999 > 79 80 O 0.83838721417229 0.29989196195537 0.15610164919734 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2917211 0.0000000 -0.0272114 0.0000000 3.3018934 0.0000000 -0.0272117 0.0000000 3.3509122 -------------------------- Born effective charges -------------------------- 1 Ba 2.6342927 0.0767523 -0.0263110 0.0652161 2.5470554 -0.0107385 -0.0554562 -0.0744485 2.6470497 2 Ba 2.6342927 -0.0767523 -0.0263110 -0.0652161 2.5470554 0.0107385 -0.0554562 0.0744485 2.6470497 3 Ba 2.6342927 0.0767523 -0.0263110 0.0652161 2.5470554 -0.0107385 -0.0554562 -0.0744485 2.6470497 4 Ba 2.6342927 -0.0767523 -0.0263110 -0.0652161 2.5470554 0.0107385 -0.0554562 0.0744485 2.6470497 5 Ba 2.6209705 -0.0288584 -0.0521469 0.0085524 2.6311857 0.0078033 -0.0377588 -0.0226255 2.6686094 6 Ba 2.6209705 0.0288584 -0.0521469 -0.0085524 2.6311857 -0.0078033 -0.0377588 0.0226255 2.6686094 7 Ba 2.6209705 -0.0288584 -0.0521469 0.0085524 2.6311857 0.0078033 -0.0377588 -0.0226255 2.6686094 8 Ba 2.6209705 0.0288584 -0.0521469 -0.0085524 2.6311857 -0.0078033 -0.0377588 0.0226255 2.6686094 9 H 0.7208423 0.3334979 0.1332845 0.3432866 0.5050517 0.0538009 0.1133074 0.0407787 0.3320330 10 H 0.7208423 -0.3334979 0.1332845 -0.3432866 0.5050517 -0.0538009 0.1133074 -0.0407787 0.3320330 11 H 0.7208423 0.3334979 0.1332845 0.3432866 0.5050517 0.0538009 0.1133074 0.0407787 0.3320330 12 H 0.7208423 -0.3334979 0.1332845 -0.3432866 0.5050517 -0.0538009 0.1133074 -0.0407787 0.3320330 13 H 0.9020767 -0.0582548 -0.5773274 -0.0840569 0.3120361 0.0546127 -0.5338979 0.0381167 0.6604653 14 H 0.9020767 0.0582548 -0.5773274 0.0840569 0.3120361 -0.0546127 -0.5338979 -0.0381167 0.6604653 15 H 0.9020767 -0.0582548 -0.5773274 -0.0840569 0.3120361 0.0546127 -0.5338979 0.0381167 0.6604653 16 H 0.9020767 0.0582548 -0.5773274 0.0840569 0.3120361 -0.0546127 -0.5338979 -0.0381167 0.6604653 17 H 0.3844700 0.2550556 -0.0140428 0.2618789 0.8527095 0.0601735 -0.0187116 0.0496851 0.2641296 18 H 0.3844700 -0.2550556 -0.0140428 -0.2618789 0.8527095 -0.0601735 -0.0187116 -0.0496851 0.2641296 19 H 0.3844700 0.2550556 -0.0140428 0.2618789 0.8527095 0.0601735 -0.0187116 0.0496851 0.2641296 20 H 0.3844700 -0.2550556 -0.0140428 -0.2618789 0.8527095 -0.0601735 -0.0187116 -0.0496851 0.2641296 21 H 0.4695144 -0.0839836 0.2594466 -0.0920876 0.3996904 -0.2959475 0.2440667 -0.2691251 0.7145367 22 H 0.4695144 0.0839836 0.2594466 0.0920876 0.3996904 0.2959475 0.2440667 0.2691251 0.7145367 23 H 0.4695144 -0.0839836 0.2594466 -0.0920876 0.3996904 -0.2959475 0.2440667 -0.2691251 0.7145367 24 H 0.4695144 0.0839836 0.2594466 0.0920876 0.3996904 0.2959475 0.2440667 0.2691251 0.7145367 25 O -1.7735145 -0.0588678 -0.0435451 -0.1132537 -1.9733086 -0.0700455 -0.0160444 -0.0448648 -1.7236330 26 O -1.7735145 0.0588678 -0.0435451 0.1132537 -1.9733086 0.0700455 -0.0160444 0.0448648 -1.7236330 27 O -1.7735145 -0.0588678 -0.0435451 -0.1132537 -1.9733086 -0.0700455 -0.0160444 -0.0448648 -1.7236330 28 O -1.7735145 0.0588678 -0.0435451 0.1132537 -1.9733086 0.0700455 -0.0160444 0.0448648 -1.7236330 29 O -2.0461357 0.0104680 0.1488082 0.0362564 -1.7968171 -0.1151362 0.1595174 -0.0459608 -2.0056368 30 O -2.0461357 -0.0104680 0.1488082 -0.0362564 -1.7968171 0.1151362 0.1595174 0.0459608 -2.0056368 31 O -2.0461357 0.0104680 0.1488082 0.0362564 -1.7968171 -0.1151362 0.1595174 -0.0459608 -2.0056368 32 O -2.0461357 -0.0104680 0.1488082 -0.0362564 -1.7968171 0.1151362 0.1595174 0.0459608 -2.0056368 33 O -1.9396756 -0.0637711 0.2370485 -0.0732603 -1.7303870 -0.0248326 0.2017142 0.0247966 -1.7281627 34 O -1.9396756 0.0637711 0.2370485 0.0732603 -1.7303870 0.0248326 0.2017142 -0.0247966 -1.7281627 35 O -1.9396756 -0.0637711 0.2370485 -0.0732603 -1.7303870 -0.0248326 0.2017142 0.0247966 -1.7281627 36 O -1.9396756 0.0637711 0.2370485 0.0732603 -1.7303870 0.0248326 0.2017142 -0.0247966 -1.7281627 37 O -1.9728410 -0.0943180 -0.0652145 -0.0459745 -1.7472161 0.1399956 -0.0567367 0.2038178 -1.8293912 38 O -1.9728410 0.0943180 -0.0652145 0.0459745 -1.7472161 -0.1399956 -0.0567367 -0.2038178 -1.8293912 39 O -1.9728410 -0.0943180 -0.0652145 -0.0459745 -1.7472161 0.1399956 -0.0567367 0.2038178 -1.8293912 40 O -1.9728410 0.0943180 -0.0652145 0.0459745 -1.7472161 -0.1399956 -0.0567367 -0.2038178 -1.8293912 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:40:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:40:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.703322190520930 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): 1 Ba 0.64128420637858 0.14774678641887 0.89473613577112 137.327 2 Ba 0.64128420637858 0.35225321358113 0.39473613577112 137.327 3 Ba 0.35871579362142 0.85225321358113 0.10526386422888 137.327 4 Ba 0.35871579362142 0.64774678641887 0.60526386422888 137.327 5 Ba 0.03573658857405 0.05013528790309 0.31670397333118 137.327 6 Ba 0.03573658857405 0.44986471209691 0.81670397333118 137.327 7 Ba 0.96426341142595 0.94986471209691 0.68329602666882 137.327 8 Ba 0.96426341142595 0.55013528790309 0.18329602666882 137.327 9 H 0.43275218644792 0.04843521808813 0.61917708166115 1.008 10 H 0.43275218644792 0.45156478191187 0.11917708166115 1.008 11 H 0.56724781355208 0.95156478191187 0.38082291833885 1.008 12 H 0.56724781355208 0.54843521808813 0.88082291833885 1.008 13 H 0.80473643088907 0.85082762631535 0.01718456826692 1.008 14 H 0.80473643088907 0.64917237368465 0.51718456826691 1.008 15 H 0.19526356911093 0.14917237368465 0.98281543173309 1.008 16 H 0.19526356911093 0.35082762631535 0.48281543173308 1.008 17 H 0.81659162671085 0.71804108940393 0.88243438663124 1.008 18 H 0.81659162671085 0.78195891059607 0.38243438663124 1.008 19 H 0.18340837328915 0.28195891059607 0.11756561336876 1.008 20 H 0.18340837328915 0.21804108940393 0.61756561336876 1.008 21 H 0.47114268957664 0.73672838616916 0.41353085504550 1.008 22 H 0.47114268957664 0.76327161383084 0.91353085504550 1.008 23 H 0.52885731042336 0.26327161383084 0.58646914495450 1.008 24 H 0.52885731042336 0.23672838616916 0.08646914495451 1.008 25 O 0.29530611289763 0.99939940477146 0.61907220822137 15.999 26 O 0.29530611289763 0.50060059522854 0.11907220822137 15.999 27 O 0.70469388710237 0.00060059522854 0.38092779177863 15.999 28 O 0.70469388710237 0.49939940477146 0.88092779177863 15.999 29 O 0.73354193663171 0.86121749487879 0.07810507083613 15.999 30 O 0.73354193663171 0.63878250512121 0.57810507083613 15.999 31 O 0.26645806336829 0.13878250512121 0.92189492916387 15.999 32 O 0.26645806336829 0.36121749487879 0.42189492916387 15.999 33 O 0.88562511643163 0.83553235020513 0.89572546593304 15.999 34 O 0.88562511643163 0.66446764979487 0.39572546593304 15.999 35 O 0.11437488356837 0.16446764979487 0.10427453406696 15.999 36 O 0.11437488356837 0.33553235020513 0.60427453406696 15.999 37 O 0.32322557165542 0.79989196195537 0.34389835080266 15.999 38 O 0.32322557165542 0.70010803804463 0.84389835080266 15.999 39 O 0.67677442834458 0.20010803804463 0.65610164919734 15.999 40 O 0.67677442834458 0.29989196195537 0.15610164919734 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.406644381041859 0.000000000000000 0.000000000000000 b 0.000000000000000 7.761548439999999 0.000000000000000 c -5.912500591268004 0.000000000000000 9.240364921582698 Atomic positions (fractional): 1 Ba 0.32064210318929 0.14774678641887 0.89473613577112 137.327 > 1 2 Ba 0.82064210318929 0.14774678641887 0.89473613577112 137.327 > 1 3 Ba 0.32064210318929 0.35225321358113 0.39473613577112 137.327 > 3 4 Ba 0.82064210318929 0.35225321358113 0.39473613577112 137.327 > 3 5 Ba 0.17935789681071 0.85225321358113 0.10526386422888 137.327 > 5 6 Ba 0.67935789681071 0.85225321358113 0.10526386422888 137.327 > 5 7 Ba 0.17935789681071 0.64774678641887 0.60526386422888 137.327 > 7 8 Ba 0.67935789681071 0.64774678641887 0.60526386422888 137.327 > 7 9 Ba 0.01786829428702 0.05013528790309 0.31670397333118 137.327 > 9 10 Ba 0.51786829428702 0.05013528790309 0.31670397333118 137.327 > 9 11 Ba 0.01786829428702 0.44986471209691 0.81670397333118 137.327 > 11 12 Ba 0.51786829428702 0.44986471209691 0.81670397333118 137.327 > 11 13 Ba 0.48213170571298 0.94986471209691 0.68329602666882 137.327 > 13 14 Ba 0.98213170571298 0.94986471209691 0.68329602666882 137.327 > 13 15 Ba 0.48213170571298 0.55013528790309 0.18329602666882 137.327 > 15 16 Ba 0.98213170571298 0.55013528790309 0.18329602666882 137.327 > 15 17 H 0.21637609322396 0.04843521808813 0.61917708166115 1.008 > 17 18 H 0.71637609322396 0.04843521808813 0.61917708166115 1.008 > 17 19 H 0.21637609322396 0.45156478191187 0.11917708166115 1.008 > 19 20 H 0.71637609322396 0.45156478191187 0.11917708166115 1.008 > 19 21 H 0.28362390677604 0.95156478191187 0.38082291833885 1.008 > 21 22 H 0.78362390677604 0.95156478191187 0.38082291833885 1.008 > 21 23 H 0.28362390677604 0.54843521808813 0.88082291833885 1.008 > 23 24 H 0.78362390677604 0.54843521808813 0.88082291833885 1.008 > 23 25 H 0.40236821544453 0.85082762631535 0.01718456826692 1.008 > 25 26 H 0.90236821544453 0.85082762631535 0.01718456826692 1.008 > 25 27 H 0.40236821544453 0.64917237368465 0.51718456826691 1.008 > 27 28 H 0.90236821544453 0.64917237368465 0.51718456826691 1.008 > 27 29 H 0.09763178455547 0.14917237368465 0.98281543173309 1.008 > 29 30 H 0.59763178455547 0.14917237368465 0.98281543173309 1.008 > 29 31 H 0.09763178455547 0.35082762631535 0.48281543173308 1.008 > 31 32 H 0.59763178455547 0.35082762631535 0.48281543173308 1.008 > 31 33 H 0.40829581335542 0.71804108940393 0.88243438663124 1.008 > 33 34 H 0.90829581335542 0.71804108940393 0.88243438663124 1.008 > 33 35 H 0.40829581335542 0.78195891059607 0.38243438663124 1.008 > 35 36 H 0.90829581335542 0.78195891059607 0.38243438663124 1.008 > 35 37 H 0.09170418664458 0.28195891059607 0.11756561336876 1.008 > 37 38 H 0.59170418664458 0.28195891059607 0.11756561336876 1.008 > 37 39 H 0.09170418664458 0.21804108940393 0.61756561336876 1.008 > 39 40 H 0.59170418664458 0.21804108940393 0.61756561336876 1.008 > 39 41 H 0.23557134478832 0.73672838616916 0.41353085504550 1.008 > 41 42 H 0.73557134478832 0.73672838616916 0.41353085504550 1.008 > 41 43 H 0.23557134478832 0.76327161383084 0.91353085504550 1.008 > 43 44 H 0.73557134478832 0.76327161383084 0.91353085504550 1.008 > 43 45 H 0.26442865521168 0.26327161383084 0.58646914495450 1.008 > 45 46 H 0.76442865521168 0.26327161383084 0.58646914495450 1.008 > 45 47 H 0.26442865521168 0.23672838616916 0.08646914495451 1.008 > 47 48 H 0.76442865521168 0.23672838616916 0.08646914495451 1.008 > 47 49 O 0.14765305644882 0.99939940477146 0.61907220822137 15.999 > 49 50 O 0.64765305644882 0.99939940477146 0.61907220822137 15.999 > 49 51 O 0.14765305644882 0.50060059522854 0.11907220822137 15.999 > 51 52 O 0.64765305644882 0.50060059522854 0.11907220822137 15.999 > 51 53 O 0.35234694355118 0.00060059522854 0.38092779177863 15.999 > 53 54 O 0.85234694355118 0.00060059522854 0.38092779177863 15.999 > 53 55 O 0.35234694355118 0.49939940477146 0.88092779177863 15.999 > 55 56 O 0.85234694355118 0.49939940477146 0.88092779177863 15.999 > 55 57 O 0.36677096831586 0.86121749487879 0.07810507083613 15.999 > 57 58 O 0.86677096831586 0.86121749487879 0.07810507083613 15.999 > 57 59 O 0.36677096831586 0.63878250512121 0.57810507083613 15.999 > 59 60 O 0.86677096831586 0.63878250512121 0.57810507083613 15.999 > 59 61 O 0.13322903168414 0.13878250512121 0.92189492916387 15.999 > 61 62 O 0.63322903168414 0.13878250512121 0.92189492916387 15.999 > 61 63 O 0.13322903168414 0.36121749487879 0.42189492916387 15.999 > 63 64 O 0.63322903168414 0.36121749487879 0.42189492916387 15.999 > 63 65 O 0.44281255821582 0.83553235020513 0.89572546593304 15.999 > 65 66 O 0.94281255821582 0.83553235020513 0.89572546593304 15.999 > 65 67 O 0.44281255821582 0.66446764979487 0.39572546593304 15.999 > 67 68 O 0.94281255821582 0.66446764979487 0.39572546593304 15.999 > 67 69 O 0.05718744178418 0.16446764979487 0.10427453406696 15.999 > 69 70 O 0.55718744178418 0.16446764979487 0.10427453406696 15.999 > 69 71 O 0.05718744178418 0.33553235020513 0.60427453406696 15.999 > 71 72 O 0.55718744178418 0.33553235020513 0.60427453406696 15.999 > 71 73 O 0.16161278582771 0.79989196195537 0.34389835080266 15.999 > 73 74 O 0.66161278582771 0.79989196195537 0.34389835080266 15.999 > 73 75 O 0.16161278582771 0.70010803804463 0.84389835080266 15.999 > 75 76 O 0.66161278582771 0.70010803804463 0.84389835080266 15.999 > 75 77 O 0.33838721417229 0.20010803804463 0.65610164919734 15.999 > 77 78 O 0.83838721417229 0.20010803804463 0.65610164919734 15.999 > 77 79 O 0.33838721417229 0.29989196195537 0.15610164919734 15.999 > 79 80 O 0.83838721417229 0.29989196195537 0.15610164919734 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2917211 0.0000000 -0.0272114 0.0000000 3.3018934 0.0000000 -0.0272117 0.0000000 3.3509122 -------------------------- Born effective charges -------------------------- 1 Ba 2.6342927 0.0767523 -0.0263110 0.0652161 2.5470554 -0.0107385 -0.0554562 -0.0744485 2.6470497 2 Ba 2.6342927 -0.0767523 -0.0263110 -0.0652161 2.5470554 0.0107385 -0.0554562 0.0744485 2.6470497 3 Ba 2.6342927 0.0767523 -0.0263110 0.0652161 2.5470554 -0.0107385 -0.0554562 -0.0744485 2.6470497 4 Ba 2.6342927 -0.0767523 -0.0263110 -0.0652161 2.5470554 0.0107385 -0.0554562 0.0744485 2.6470497 5 Ba 2.6209705 -0.0288584 -0.0521469 0.0085524 2.6311857 0.0078033 -0.0377588 -0.0226255 2.6686094 6 Ba 2.6209705 0.0288584 -0.0521469 -0.0085524 2.6311857 -0.0078033 -0.0377588 0.0226255 2.6686094 7 Ba 2.6209705 -0.0288584 -0.0521469 0.0085524 2.6311857 0.0078033 -0.0377588 -0.0226255 2.6686094 8 Ba 2.6209705 0.0288584 -0.0521469 -0.0085524 2.6311857 -0.0078033 -0.0377588 0.0226255 2.6686094 9 H 0.7208423 0.3334979 0.1332845 0.3432866 0.5050517 0.0538009 0.1133074 0.0407787 0.3320330 10 H 0.7208423 -0.3334979 0.1332845 -0.3432866 0.5050517 -0.0538009 0.1133074 -0.0407787 0.3320330 11 H 0.7208423 0.3334979 0.1332845 0.3432866 0.5050517 0.0538009 0.1133074 0.0407787 0.3320330 12 H 0.7208423 -0.3334979 0.1332845 -0.3432866 0.5050517 -0.0538009 0.1133074 -0.0407787 0.3320330 13 H 0.9020767 -0.0582548 -0.5773274 -0.0840569 0.3120361 0.0546127 -0.5338979 0.0381167 0.6604653 14 H 0.9020767 0.0582548 -0.5773274 0.0840569 0.3120361 -0.0546127 -0.5338979 -0.0381167 0.6604653 15 H 0.9020767 -0.0582548 -0.5773274 -0.0840569 0.3120361 0.0546127 -0.5338979 0.0381167 0.6604653 16 H 0.9020767 0.0582548 -0.5773274 0.0840569 0.3120361 -0.0546127 -0.5338979 -0.0381167 0.6604653 17 H 0.3844700 0.2550556 -0.0140428 0.2618789 0.8527095 0.0601735 -0.0187116 0.0496851 0.2641296 18 H 0.3844700 -0.2550556 -0.0140428 -0.2618789 0.8527095 -0.0601735 -0.0187116 -0.0496851 0.2641296 19 H 0.3844700 0.2550556 -0.0140428 0.2618789 0.8527095 0.0601735 -0.0187116 0.0496851 0.2641296 20 H 0.3844700 -0.2550556 -0.0140428 -0.2618789 0.8527095 -0.0601735 -0.0187116 -0.0496851 0.2641296 21 H 0.4695144 -0.0839836 0.2594466 -0.0920876 0.3996904 -0.2959475 0.2440667 -0.2691251 0.7145367 22 H 0.4695144 0.0839836 0.2594466 0.0920876 0.3996904 0.2959475 0.2440667 0.2691251 0.7145367 23 H 0.4695144 -0.0839836 0.2594466 -0.0920876 0.3996904 -0.2959475 0.2440667 -0.2691251 0.7145367 24 H 0.4695144 0.0839836 0.2594466 0.0920876 0.3996904 0.2959475 0.2440667 0.2691251 0.7145367 25 O -1.7735145 -0.0588678 -0.0435451 -0.1132537 -1.9733086 -0.0700455 -0.0160444 -0.0448648 -1.7236330 26 O -1.7735145 0.0588678 -0.0435451 0.1132537 -1.9733086 0.0700455 -0.0160444 0.0448648 -1.7236330 27 O -1.7735145 -0.0588678 -0.0435451 -0.1132537 -1.9733086 -0.0700455 -0.0160444 -0.0448648 -1.7236330 28 O -1.7735145 0.0588678 -0.0435451 0.1132537 -1.9733086 0.0700455 -0.0160444 0.0448648 -1.7236330 29 O -2.0461357 0.0104680 0.1488082 0.0362564 -1.7968171 -0.1151362 0.1595174 -0.0459608 -2.0056368 30 O -2.0461357 -0.0104680 0.1488082 -0.0362564 -1.7968171 0.1151362 0.1595174 0.0459608 -2.0056368 31 O -2.0461357 0.0104680 0.1488082 0.0362564 -1.7968171 -0.1151362 0.1595174 -0.0459608 -2.0056368 32 O -2.0461357 -0.0104680 0.1488082 -0.0362564 -1.7968171 0.1151362 0.1595174 0.0459608 -2.0056368 33 O -1.9396756 -0.0637711 0.2370485 -0.0732603 -1.7303870 -0.0248326 0.2017142 0.0247966 -1.7281627 34 O -1.9396756 0.0637711 0.2370485 0.0732603 -1.7303870 0.0248326 0.2017142 -0.0247966 -1.7281627 35 O -1.9396756 -0.0637711 0.2370485 -0.0732603 -1.7303870 -0.0248326 0.2017142 0.0247966 -1.7281627 36 O -1.9396756 0.0637711 0.2370485 0.0732603 -1.7303870 0.0248326 0.2017142 -0.0247966 -1.7281627 37 O -1.9728410 -0.0943180 -0.0652145 -0.0459745 -1.7472161 0.1399956 -0.0567367 0.2038178 -1.8293912 38 O -1.9728410 0.0943180 -0.0652145 0.0459745 -1.7472161 -0.1399956 -0.0567367 -0.2038178 -1.8293912 39 O -1.9728410 -0.0943180 -0.0652145 -0.0459745 -1.7472161 0.1399956 -0.0567367 0.2038178 -1.8293912 40 O -1.9728410 0.0943180 -0.0652145 0.0459745 -1.7472161 -0.1399956 -0.0567367 -0.2038178 -1.8293912 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 9 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 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 1.827 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.118 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 0.000 0.000) 0.000 10.203 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 20.522 ( 0.000 0.000 0.000) 0.000 20.523 ( 0.000 0.000 0.000) 0.000 20.851 ( 0.000 0.000 0.000) 0.000 20.895 ( 0.000 0.000 0.000) 0.000 22.728 ( 0.000 0.000 0.000) 0.000 22.853 ( 0.000 0.000 0.000) 0.000 23.040 ( 0.000 0.000 0.000) 0.000 23.124 ( 0.000 0.000 0.000) 0.000 24.651 ( 0.000 0.000 0.000) 0.000 24.726 ( 0.000 0.000 0.000) 0.000 24.837 ( 0.000 0.000 0.000) 0.000 24.929 ( 0.000 0.000 0.000) 0.000 25.880 ( 0.000 0.000 0.000) 0.000 25.889 ( 0.000 0.000 0.000) 0.000 26.066 ( 0.000 0.000 0.000) 0.000 26.080 ( 0.000 0.000 0.000) 0.000 28.273 ( 0.000 0.000 0.000) 0.000 28.274 ( 0.000 0.000 0.000) 0.000 28.529 ( 0.000 0.000 0.000) 0.000 28.558 ( 0.000 0.000 0.000) 0.000 28.636 ( 0.000 0.000 0.000) 0.000 28.637 ( 0.000 0.000 0.000) 0.000 28.689 ( 0.000 0.000 0.000) 0.000 28.865 ( 0.000 0.000 0.000) 0.000 32.283 ( 0.000 0.000 0.000) 0.000 32.404 ( 0.000 0.000 0.000) 0.000 32.425 ( 0.000 0.000 0.000) 0.000 32.615 ( 0.000 0.000 0.000) 0.000 35.321 ( 0.000 0.000 0.000) 0.000 35.420 ( 0.000 0.000 0.000) 0.000 35.523 ( 0.000 0.000 0.000) 0.000 35.545 ( 0.000 0.000 0.000) 0.000 88.674 ( 0.000 0.000 0.000) 0.000 88.773 ( 0.000 0.000 0.000) 0.000 88.916 ( 0.000 0.000 0.000) 0.000 89.110 ( 0.000 0.000 0.000) 0.000 97.629 ( 0.000 0.000 0.000) 0.000 97.641 ( 0.000 0.000 0.000) 0.000 97.644 ( 0.000 0.000 0.000) 0.000 97.695 ( 0.000 0.000 0.000) 0.000 98.669 ( 0.000 0.000 0.000) 0.000 98.679 ( 0.000 0.000 0.000) 0.000 98.731 ( 0.000 0.000 0.000) 0.000 98.874 ( 0.000 0.000 0.000) 0.000 99.579 ( 0.000 0.000 0.000) 0.000 99.725 ( 0.000 0.000 0.000) 0.000 99.768 ( 0.000 0.000 0.000) 0.000 99.992 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 21.088 0.000 7.922) 22.527 0.480 ( 22.185 0.000 10.257) 24.441 0.745 ( 32.188 0.000 17.546) 36.660 1.811 ( 0.468 0.000 -1.132) 1.225 1.848 ( -0.320 0.000 4.183) 4.195 1.965 ( 1.403 0.000 -10.476) 10.569 2.095 ( 2.627 0.000 9.873) 10.217 2.122 ( -1.144 0.000 -2.512) 2.760 2.242 ( -3.361 0.000 -6.179) 7.034 2.258 ( -1.954 0.000 7.743) 7.986 2.416 ( -4.421 0.000 2.559) 5.108 2.565 ( 2.459 0.000 2.877) 3.785 2.583 ( -2.365 0.000 2.104) 3.166 2.625 ( 0.230 0.000 1.631) 1.647 2.748 ( -1.444 0.000 -1.202) 1.879 2.867 ( -0.086 0.000 -0.140) 0.165 2.878 ( -1.575 0.000 2.524) 2.975 3.159 ( -1.319 0.000 -0.846) 1.567 3.198 ( -5.096 0.000 -0.027) 5.096 3.253 ( -1.009 0.000 -3.308) 3.459 3.365 ( 1.346 0.000 -2.197) 2.577 3.395 ( 2.483 0.000 -4.687) 5.304 3.452 ( -0.904 0.000 -2.628) 2.779 3.602 ( 2.749 0.000 -6.344) 6.914 4.340 ( 3.009 0.000 0.142) 3.012 4.469 ( -3.750 0.000 0.678) 3.811 4.686 ( 6.363 0.000 -10.060) 11.904 4.838 ( -2.544 0.000 -1.362) 2.886 4.841 ( 1.949 0.000 0.544) 2.023 4.941 ( -5.130 0.000 0.533) 5.158 5.047 ( -5.349 0.000 -2.274) 5.812 5.154 ( -1.414 0.000 1.161) 1.829 5.278 ( 4.567 0.000 4.258) 6.244 5.444 ( -2.630 0.000 -4.272) 5.017 5.514 ( 0.387 0.000 2.208) 2.242 5.575 ( -2.147 0.000 -2.537) 3.323 5.674 ( -4.408 0.000 -1.473) 4.647 5.793 ( -1.647 0.000 1.934) 2.540 5.861 ( -5.496 0.000 10.980) 12.278 5.907 ( 3.779 0.000 -2.654) 4.618 5.945 ( 3.937 0.000 2.815) 4.840 5.971 ( -0.224 0.000 -0.799) 0.830 6.092 ( -7.999 0.000 8.620) 11.759 6.157 ( -11.130 0.000 -1.418) 11.220 6.265 ( 2.120 0.000 -2.353) 3.167 6.416 ( -0.256 0.000 -3.226) 3.237 6.629 ( 4.385 0.000 1.885) 4.773 7.035 ( -2.504 0.000 0.903) 2.662 7.066 ( -3.763 0.000 -13.859) 14.360 7.194 ( 0.648 0.000 -0.543) 0.846 7.204 ( -0.797 0.000 -7.701) 7.742 7.276 ( 1.759 0.000 4.826) 5.137 7.521 ( 1.195 0.000 15.891) 15.936 7.936 ( -15.294 0.000 -8.932) 17.712 7.994 ( -7.440 0.000 0.341) 7.448 8.082 ( -1.171 0.000 1.994) 2.313 8.411 ( -12.451 0.000 6.943) 14.256 8.613 ( -1.039 0.000 -1.259) 1.632 8.694 ( 2.307 0.000 -3.641) 4.310 8.768 ( -1.217 0.000 2.283) 2.587 8.815 ( 2.269 0.000 2.250) 3.195 9.031 ( -0.004 0.000 7.181) 7.181 9.069 ( 4.750 0.000 -4.005) 6.213 9.207 ( 6.024 0.000 0.538) 6.048 9.396 ( 7.453 0.000 -1.500) 7.602 9.565 ( -7.646 0.000 2.991) 8.210 9.781 ( -2.730 0.000 3.022) 4.072 9.814 ( 8.818 0.000 -1.228) 8.903 10.221 ( 1.660 0.000 0.611) 1.769 10.407 ( 5.546 0.000 2.665) 6.153 10.719 ( 8.581 0.000 -15.452) 17.675 11.021 ( 4.676 0.000 2.209) 5.171 20.519 ( -0.334 0.000 -0.152) 0.367 20.532 ( -0.801 0.000 0.622) 1.014 20.840 ( -1.118 0.000 -0.193) 1.134 20.889 ( -0.821 0.000 0.231) 0.853 22.747 ( 1.233 0.000 1.606) 2.025 22.833 ( -1.144 0.000 -1.728) 2.072 23.073 ( 2.110 0.000 1.452) 2.561 23.109 ( -0.595 0.000 -1.724) 1.824 24.697 ( -6.025 0.000 6.345) 8.750 24.740 ( 0.863 0.000 1.205) 1.482 24.838 ( -0.165 0.000 0.355) 0.392 24.935 ( 0.223 0.000 0.623) 0.662 25.847 ( -3.934 0.000 0.381) 3.952 25.856 ( -3.702 0.000 -0.303) 3.714 26.071 ( -0.505 0.000 1.201) 1.303 26.076 ( -1.771 0.000 1.591) 2.381 28.282 ( 0.773 0.000 0.491) 0.916 28.295 ( -1.928 0.000 3.200) 3.736 28.520 ( -0.903 0.000 -0.384) 0.982 28.613 ( -2.281 0.000 0.481) 2.331 28.635 ( -0.335 0.000 0.327) 0.468 28.710 ( 2.090 0.000 -0.890) 2.272 28.859 ( -0.759 0.000 0.090) 0.765 28.995 ( 0.935 0.000 -1.433) 1.711 32.286 ( 0.525 0.000 -0.183) 0.556 32.408 ( 0.390 0.000 0.177) 0.429 32.483 ( -4.094 0.000 5.875) 7.161 32.606 ( -0.962 0.000 -0.158) 0.975 35.332 ( 0.823 0.000 0.757) 1.118 35.427 ( 0.646 0.000 0.354) 0.737 35.508 ( -1.114 0.000 -0.350) 1.167 35.557 ( 0.901 0.000 0.176) 0.918 88.777 ( 0.823 0.000 -0.484) 0.955 88.825 ( 19.676 0.000 -30.101) 35.961 88.930 ( 2.038 0.000 -0.282) 2.058 89.166 ( 3.666 0.000 4.061) 5.471 97.634 ( 0.630 0.000 -0.020) 0.630 97.647 ( 0.814 0.000 -0.136) 0.825 97.719 ( 2.139 0.000 0.885) 2.315 97.779 ( 8.103 0.000 -13.498) 15.743 98.674 ( 0.302 0.000 0.520) 0.602 98.729 ( -0.368 0.000 0.194) 0.416 98.760 ( -2.154 0.000 3.044) 3.729 98.858 ( -1.132 0.000 -1.011) 1.518 99.583 ( 0.111 0.000 0.535) 0.546 99.716 ( -1.200 0.000 0.142) 1.208 99.958 ( -1.479 0.000 -3.837) 4.112 100.431 ( -2.314 0.000 5.214) 5.704 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 18.603 0.000 7.805) 20.174 0.947 ( 20.536 0.000 10.686) 23.150 1.404 ( 26.427 0.000 12.428) 29.204 1.826 ( 0.764 0.000 0.643) 0.998 1.875 ( 3.492 0.000 -12.926) 13.390 1.915 ( 2.201 0.000 5.481) 5.906 2.094 ( -0.848 0.000 1.670) 1.873 2.095 ( -5.441 0.000 0.584) 5.472 2.288 ( -3.058 0.000 5.692) 6.461 2.314 ( 5.545 0.000 10.761) 12.106 2.369 ( -2.658 0.000 0.558) 2.716 2.523 ( -5.267 0.000 -0.383) 5.281 2.585 ( -3.097 0.000 1.857) 3.611 2.640 ( -3.072 0.000 2.728) 4.109 2.730 ( -0.445 0.000 2.239) 2.283 2.859 ( -0.915 0.000 -0.358) 0.982 2.888 ( -1.794 0.000 5.471) 5.757 3.090 ( -6.653 0.000 -1.361) 6.791 3.132 ( 0.052 0.000 -1.691) 1.692 3.185 ( -1.393 0.000 -5.180) 5.364 3.345 ( -1.613 0.000 -3.407) 3.769 3.372 ( 2.242 0.000 -7.339) 7.674 3.374 ( -1.426 0.000 -6.193) 6.355 3.598 ( 6.112 0.000 -7.921) 10.005 4.410 ( 4.836 0.000 0.158) 4.839 4.414 ( -4.177 0.000 1.874) 4.578 4.679 ( 2.344 0.000 -5.229) 5.730 4.755 ( -4.556 0.000 -2.204) 5.061 4.867 ( -1.027 0.000 -0.959) 1.405 4.874 ( -3.098 0.000 1.512) 3.447 4.950 ( -2.203 0.000 0.465) 2.252 5.137 ( -3.428 0.000 3.699) 5.043 5.348 ( -4.328 0.000 -4.595) 6.312 5.404 ( 4.793 0.000 1.644) 5.067 5.483 ( -0.898 0.000 -7.914) 7.965 5.546 ( -0.903 0.000 4.806) 4.890 5.603 ( -3.578 0.000 1.146) 3.757 5.762 ( -4.420 0.000 2.929) 5.302 5.874 ( -4.055 0.000 2.933) 5.005 5.886 ( -15.842 0.000 1.249) 15.891 5.926 ( -6.718 0.000 6.025) 9.024 5.935 ( 1.295 0.000 -4.254) 4.447 6.071 ( 5.958 0.000 0.085) 5.958 6.089 ( 2.158 0.000 1.497) 2.626 6.270 ( 2.605 0.000 -4.560) 5.252 6.388 ( 0.109 0.000 -2.687) 2.689 6.663 ( -0.619 0.000 -1.902) 2.000 6.824 ( -5.781 0.000 -12.175) 13.477 6.989 ( -5.299 0.000 -1.544) 5.520 7.154 ( 2.475 0.000 -2.049) 3.214 7.207 ( 1.580 0.000 -0.328) 1.614 7.363 ( 0.753 0.000 6.159) 6.205 7.558 ( -13.184 0.000 -14.990) 19.963 7.681 ( -2.870 0.000 16.124) 16.377 7.836 ( -17.421 0.000 9.455) 19.822 8.092 ( -1.059 0.000 3.795) 3.940 8.254 ( -10.893 0.000 4.571) 11.814 8.564 ( -0.909 0.000 -4.509) 4.600 8.677 ( 0.748 0.000 -3.982) 4.052 8.763 ( -3.308 0.000 3.313) 4.682 8.905 ( 4.106 0.000 3.900) 5.662 9.055 ( 1.434 0.000 -5.361) 5.549 9.131 ( 2.224 0.000 6.449) 6.822 9.409 ( 13.277 0.000 1.876) 13.409 9.472 ( -3.772 0.000 -2.539) 4.547 9.522 ( 8.772 0.000 -0.156) 8.773 9.772 ( 2.538 0.000 -4.016) 4.751 9.944 ( 7.769 0.000 -1.189) 7.859 10.267 ( 2.378 0.000 1.805) 2.986 10.529 ( 4.567 0.000 3.072) 5.504 10.685 ( 1.611 0.000 -6.824) 7.011 11.152 ( 6.651 0.000 3.652) 7.588 20.509 ( -0.578 0.000 -0.311) 0.656 20.524 ( -0.525 0.000 -0.014) 0.525 20.813 ( -1.705 0.000 -0.285) 1.729 20.874 ( -1.278 0.000 0.332) 1.320 22.785 ( -1.714 0.000 -2.556) 3.078 22.797 ( 1.934 0.000 2.513) 3.171 23.072 ( -0.933 0.000 -2.722) 2.877 23.141 ( 3.115 0.000 2.725) 4.138 24.657 ( -3.443 0.000 1.277) 3.672 24.777 ( 1.400 0.000 2.051) 2.483 24.836 ( -0.384 0.000 -0.019) 0.384 24.948 ( 0.368 0.000 0.821) 0.900 25.770 ( -5.678 0.000 -0.627) 5.713 25.772 ( -5.422 0.000 0.797) 5.480 26.057 ( -1.747 0.000 0.496) 1.816 26.067 ( -1.779 0.000 1.547) 2.357 28.299 ( -0.234 0.000 1.013) 1.039 28.307 ( 1.535 0.000 0.524) 1.622 28.494 ( -1.471 0.000 -0.559) 1.574 28.589 ( -1.466 0.000 1.111) 1.839 28.633 ( -0.509 0.000 0.500) 0.713 28.725 ( 1.047 0.000 -1.308) 1.676 28.841 ( -1.416 0.000 -0.174) 1.427 28.994 ( 0.259 0.000 -0.532) 0.591 32.298 ( 1.311 0.000 -0.281) 1.341 32.420 ( 0.753 0.000 0.300) 0.810 32.473 ( -2.679 0.000 2.650) 3.768 32.581 ( -1.639 0.000 -0.329) 1.672 35.362 ( 1.394 0.000 1.265) 1.883 35.445 ( 0.855 0.000 0.435) 0.959 35.486 ( -0.732 0.000 -0.873) 1.139 35.573 ( 0.908 0.000 -0.177) 0.925 88.788 ( 1.234 0.000 -0.782) 1.461 88.834 ( 8.935 0.000 -12.915) 15.705 88.980 ( 3.784 0.000 0.366) 3.801 89.297 ( 4.781 0.000 6.193) 7.824 97.649 ( 1.050 0.000 0.118) 1.057 97.665 ( 1.301 0.000 0.052) 1.302 97.766 ( 3.265 0.000 -6.658) 7.416 97.780 ( 3.580 0.000 1.471) 3.870 98.688 ( 0.474 0.000 0.775) 0.908 98.722 ( -0.748 0.000 0.222) 0.781 98.755 ( -1.380 0.000 1.560) 2.082 98.821 ( -1.592 0.000 -1.489) 2.180 99.594 ( 0.240 0.000 0.840) 0.874 99.690 ( -2.090 0.000 0.286) 2.110 99.872 ( -1.925 0.000 -6.488) 6.768 100.453 ( -0.421 0.000 3.027) 3.056 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 14.184 0.000 6.359) 15.544 1.370 ( 16.308 0.000 10.126) 19.196 1.793 ( 10.735 0.000 -0.398) 10.743 1.820 ( 4.577 0.000 -9.087) 10.174 1.821 ( -0.896 0.000 -1.351) 1.621 1.981 ( -3.410 0.000 6.284) 7.150 2.099 ( 5.597 0.000 1.016) 5.688 2.180 ( 4.439 0.000 6.354) 7.751 2.294 ( -1.574 0.000 5.999) 6.202 2.346 ( -0.668 0.000 0.482) 0.824 2.437 ( -2.767 0.000 -1.046) 2.959 2.512 ( -2.154 0.000 5.631) 6.029 2.547 ( 1.850 0.000 8.631) 8.827 2.565 ( -8.371 0.000 2.230) 8.663 2.756 ( -0.236 0.000 1.931) 1.945 2.825 ( -2.311 0.000 -0.480) 2.360 2.948 ( 1.022 0.000 5.829) 5.918 2.969 ( -5.813 0.000 0.279) 5.820 3.111 ( -0.276 0.000 -5.584) 5.591 3.125 ( 1.529 0.000 -2.514) 2.942 3.221 ( -3.135 0.000 -8.814) 9.355 3.306 ( -3.089 0.000 -2.097) 3.734 3.313 ( 0.482 0.000 -7.951) 7.965 3.633 ( 6.794 0.000 -6.131) 9.152 4.376 ( -2.912 0.000 2.014) 3.541 4.484 ( 3.604 0.000 0.011) 3.604 4.647 ( -0.579 0.000 -3.399) 3.448 4.665 ( -3.365 0.000 -1.869) 3.849 4.800 ( -4.329 0.000 1.007) 4.444 4.883 ( 1.761 0.000 1.895) 2.587 4.987 ( 4.427 0.000 -1.037) 4.547 5.114 ( -3.900 0.000 2.879) 4.847 5.195 ( -7.721 0.000 -4.028) 8.708 5.402 ( 0.424 0.000 -6.808) 6.821 5.453 ( 0.232 0.000 1.942) 1.956 5.581 ( 0.333 0.000 1.586) 1.621 5.583 ( -0.588 0.000 1.845) 1.936 5.594 ( -13.528 0.000 -2.166) 13.701 5.741 ( -10.372 0.000 -0.170) 10.373 5.751 ( -4.437 0.000 4.951) 6.648 5.906 ( -1.127 0.000 -3.565) 3.739 5.939 ( -2.469 0.000 5.537) 6.062 6.149 ( 4.315 0.000 -1.835) 4.689 6.194 ( 6.728 0.000 2.994) 7.364 6.257 ( 1.869 0.000 -3.362) 3.846 6.351 ( -0.903 0.000 -3.012) 3.144 6.592 ( -4.460 0.000 -1.492) 4.703 6.638 ( -1.901 0.000 -10.211) 10.386 6.873 ( -5.955 0.000 -1.741) 6.204 7.204 ( -11.491 0.000 -9.481) 14.898 7.212 ( 3.773 0.000 1.473) 4.050 7.236 ( 1.596 0.000 0.096) 1.599 7.432 ( 3.165 0.000 -0.392) 3.189 7.669 ( -15.529 0.000 11.822) 19.517 7.759 ( -4.578 0.000 10.614) 11.559 8.132 ( -0.789 0.000 6.145) 6.196 8.170 ( -4.509 0.000 3.031) 5.433 8.500 ( 0.152 0.000 -5.757) 5.759 8.642 ( -0.117 0.000 -3.412) 3.414 8.727 ( -4.908 0.000 3.254) 5.889 9.010 ( 3.239 0.000 3.470) 4.746 9.018 ( 0.887 0.000 -4.759) 4.841 9.236 ( 2.621 0.000 4.869) 5.529 9.391 ( -1.470 0.000 -4.284) 4.530 9.600 ( 8.053 0.000 -0.044) 8.053 9.690 ( 9.209 0.000 2.302) 9.492 9.782 ( 4.241 0.000 -4.880) 6.466 10.033 ( 5.015 0.000 -2.297) 5.516 10.341 ( 3.182 0.000 3.397) 4.655 10.611 ( 2.068 0.000 2.125) 2.965 10.627 ( -1.711 0.000 -4.092) 4.436 11.293 ( 4.985 0.000 3.521) 6.103 20.495 ( -0.570 0.000 -0.367) 0.678 20.516 ( -0.295 0.000 -0.135) 0.324 20.782 ( -1.502 0.000 -0.241) 1.521 20.856 ( -1.127 0.000 0.282) 1.162 22.731 ( -1.496 0.000 -2.148) 2.617 22.856 ( 1.756 0.000 2.267) 2.868 23.027 ( -0.831 0.000 -2.483) 2.618 23.222 ( 2.909 0.000 2.530) 3.855 24.616 ( -2.093 0.000 -0.027) 2.093 24.823 ( 1.241 0.000 2.120) 2.456 24.826 ( -0.451 0.000 -0.329) 0.558 24.962 ( 0.474 0.000 0.498) 0.687 25.669 ( -5.151 0.000 -0.700) 5.199 25.695 ( -4.649 0.000 0.807) 4.719 26.032 ( -1.529 0.000 0.145) 1.536 26.047 ( -2.156 0.000 1.115) 2.427 28.308 ( 0.434 0.000 0.307) 0.532 28.342 ( 1.995 0.000 0.332) 2.022 28.463 ( -1.441 0.000 -0.439) 1.506 28.589 ( -0.521 0.000 1.960) 2.028 28.629 ( -0.461 0.000 0.429) 0.630 28.715 ( -0.164 0.000 -1.966) 1.973 28.812 ( -1.583 0.000 -0.297) 1.611 28.992 ( 0.012 0.000 -0.257) 0.257 32.324 ( 2.109 0.000 -0.320) 2.133 32.439 ( 1.042 0.000 0.398) 1.115 32.450 ( -2.649 0.000 1.423) 3.007 32.547 ( -1.828 0.000 -0.491) 1.893 35.401 ( 1.447 0.000 1.337) 1.970 35.460 ( 0.531 0.000 0.154) 0.553 35.467 ( -0.421 0.000 -0.785) 0.890 35.583 ( 0.654 0.000 -0.262) 0.705 88.799 ( 1.053 0.000 -0.717) 1.274 88.846 ( 4.563 0.000 -6.157) 7.663 89.053 ( 3.871 0.000 0.746) 3.942 89.433 ( 3.343 0.000 5.807) 6.700 97.670 ( 1.110 0.000 0.547) 1.238 97.688 ( 1.172 0.000 0.177) 1.186 97.747 ( 1.274 0.000 -4.092) 4.286 97.859 ( 3.504 0.000 1.687) 3.889 98.704 ( 0.515 0.000 0.672) 0.846 98.709 ( -0.875 0.000 -0.044) 0.876 98.748 ( -1.051 0.000 0.875) 1.368 98.782 ( -1.264 0.000 -1.121) 1.689 99.607 ( 0.282 0.000 0.760) 0.811 99.658 ( -1.986 0.000 0.504) 2.049 99.772 ( -1.375 0.000 -6.571) 6.713 100.477 ( 0.077 0.000 1.883) 1.884 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 5.630 0.000 2.146) 6.025 1.646 ( 5.202 0.000 5.126) 7.303 1.789 ( 2.697 0.000 -6.206) 6.767 1.791 ( -0.685 0.000 -0.963) 1.182 1.923 ( 5.018 0.000 2.671) 5.685 2.004 ( -1.602 0.000 7.249) 7.424 2.157 ( 2.470 0.000 -6.815) 7.249 2.227 ( 4.037 0.000 -3.119) 5.102 2.326 ( -5.469 0.000 2.271) 5.922 2.359 ( 1.076 0.000 2.637) 2.848 2.367 ( -7.718 0.000 1.781) 7.921 2.489 ( -1.899 0.000 2.259) 2.951 2.561 ( 5.007 0.000 3.542) 6.133 2.687 ( 0.825 0.000 2.811) 2.930 2.755 ( -0.535 0.000 -0.544) 0.763 2.822 ( 0.566 0.000 6.215) 6.241 2.891 ( -2.867 0.000 0.653) 2.941 3.055 ( 2.924 0.000 4.293) 5.194 3.058 ( -2.573 0.000 -7.998) 8.402 3.066 ( -0.597 0.000 -1.110) 1.261 3.148 ( 1.478 0.000 -1.634) 2.203 3.227 ( -1.067 0.000 -6.211) 6.302 3.238 ( -2.363 0.000 -0.800) 2.494 3.676 ( 3.012 0.000 -2.139) 3.694 4.358 ( -1.009 0.000 0.794) 1.284 4.532 ( 2.175 0.000 0.606) 2.257 4.599 ( -2.552 0.000 -1.545) 2.983 4.605 ( -0.869 0.000 -1.165) 1.453 4.761 ( -1.630 0.000 0.780) 1.807 4.946 ( 3.340 0.000 0.784) 3.430 5.036 ( 1.758 0.000 -0.789) 1.927 5.046 ( -5.903 0.000 -1.176) 6.019 5.083 ( -0.955 0.000 0.564) 1.110 5.348 ( -0.687 0.000 -2.807) 2.890 5.428 ( -3.734 0.000 -0.726) 3.804 5.489 ( 1.221 0.000 2.830) 3.083 5.581 ( -6.190 0.000 -1.307) 6.326 5.587 ( -0.660 0.000 -0.135) 0.674 5.618 ( 1.232 0.000 2.056) 2.397 5.743 ( 1.854 0.000 -0.969) 2.092 5.818 ( -6.378 0.000 -0.140) 6.379 5.941 ( -0.989 0.000 1.060) 1.450 6.180 ( 1.560 0.000 -1.268) 2.010 6.233 ( 1.103 0.000 -2.122) 2.392 6.319 ( 0.584 0.000 -1.618) 1.720 6.365 ( 3.204 0.000 6.042) 6.839 6.509 ( -3.510 0.000 -0.343) 3.527 6.549 ( 2.063 0.000 -6.728) 7.037 6.764 ( -4.719 0.000 -0.634) 4.761 7.005 ( -3.750 0.000 -3.286) 4.986 7.255 ( 0.341 0.000 0.293) 0.449 7.279 ( 1.895 0.000 0.958) 2.123 7.481 ( 5.481 0.000 -3.727) 6.628 7.568 ( -9.481 0.000 7.842) 12.304 7.775 ( -1.914 0.000 3.462) 3.956 8.151 ( -1.172 0.000 1.402) 1.827 8.176 ( -0.816 0.000 3.911) 3.995 8.457 ( 0.808 0.000 -3.564) 3.655 8.610 ( -0.261 0.000 -1.503) 1.526 8.684 ( -2.806 0.000 1.625) 3.242 8.992 ( 0.361 0.000 -1.883) 1.917 9.073 ( 1.097 0.000 1.311) 1.709 9.305 ( 1.101 0.000 1.764) 2.080 9.341 ( -0.259 0.000 -2.105) 2.121 9.691 ( 2.865 0.000 0.025) 2.865 9.800 ( 2.049 0.000 -2.028) 2.883 9.821 ( 3.610 0.000 1.028) 3.754 10.067 ( 1.662 0.000 -1.206) 2.053 10.438 ( 3.691 0.000 3.413) 5.027 10.544 ( -3.325 0.000 -3.172) 4.596 10.646 ( 0.510 0.000 0.731) 0.891 11.377 ( 1.710 0.000 1.480) 2.262 20.485 ( -0.239 0.000 -0.173) 0.295 20.512 ( -0.087 0.000 -0.062) 0.107 20.762 ( -0.597 0.000 -0.093) 0.604 20.845 ( -0.443 0.000 0.112) 0.457 22.697 ( -0.595 0.000 -0.820) 1.014 22.895 ( 0.710 0.000 0.912) 1.156 22.998 ( -0.328 0.000 -1.005) 1.057 23.278 ( 1.211 0.000 1.029) 1.589 24.591 ( -0.720 0.000 -0.124) 0.730 24.817 ( -0.206 0.000 -0.189) 0.280 24.855 ( 0.445 0.000 0.963) 1.061 24.972 ( 0.297 0.000 0.100) 0.313 25.600 ( -2.098 0.000 -0.316) 2.122 25.645 ( -1.870 0.000 0.333) 1.899 26.014 ( -0.619 0.000 0.025) 0.620 26.027 ( -0.965 0.000 0.374) 1.035 28.317 ( 0.310 0.000 0.055) 0.315 28.372 ( 1.046 0.000 0.130) 1.054 28.442 ( -0.641 0.000 -0.152) 0.659 28.608 ( 0.139 0.000 1.790) 1.796 28.627 ( -0.190 0.000 0.165) 0.252 28.684 ( -0.576 0.000 -1.866) 1.953 28.790 ( -0.716 0.000 -0.069) 0.719 28.990 ( -0.020 0.000 -0.086) 0.088 32.357 ( 1.966 0.000 -0.301) 1.989 32.419 ( -2.103 0.000 0.631) 2.196 32.461 ( 0.902 0.000 0.353) 0.969 32.515 ( -1.212 0.000 -0.409) 1.280 35.432 ( 0.780 0.000 0.773) 1.099 35.457 ( -0.137 0.000 -0.310) 0.339 35.464 ( 0.001 0.000 -0.187) 0.187 35.589 ( 0.238 0.000 -0.117) 0.265 88.806 ( 0.406 0.000 -0.287) 0.498 88.853 ( 1.444 0.000 -1.860) 2.354 89.108 ( 1.688 0.000 0.369) 1.728 89.515 ( 1.044 0.000 2.419) 2.634 97.696 ( 0.743 0.000 1.322) 1.517 97.703 ( 0.471 0.000 0.092) 0.479 97.723 ( 0.044 0.000 -2.481) 2.481 97.917 ( 1.479 0.000 0.826) 1.694 98.697 ( -0.370 0.000 -0.132) 0.393 98.717 ( 0.369 0.000 0.274) 0.460 98.740 ( -0.559 0.000 0.278) 0.624 98.759 ( -0.507 0.000 -0.357) 0.620 99.617 ( 0.130 0.000 0.306) 0.332 99.642 ( -0.705 0.000 0.805) 1.070 99.700 ( -0.553 0.000 -3.376) 3.421 100.492 ( 0.072 0.000 0.657) 0.661 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 20.712 0.000) 20.712 0.501 ( 0.000 23.204 0.000) 23.204 0.799 ( 0.000 35.541 0.000) 35.541 1.744 ( 0.000 -6.304 0.000) 6.304 1.856 ( 0.000 2.502 0.000) 2.502 2.025 ( 0.000 2.477 0.000) 2.477 2.062 ( 0.000 -1.539 0.000) 1.539 2.166 ( 0.000 1.524 0.000) 1.524 2.192 ( 0.000 -0.673 0.000) 0.673 2.282 ( 0.000 -3.466 0.000) 3.466 2.364 ( 0.000 -7.113 0.000) 7.113 2.513 ( 0.000 3.671 0.000) 3.671 2.543 ( 0.000 -2.140 0.000) 2.140 2.673 ( 0.000 0.462 0.000) 0.462 2.760 ( 0.000 4.368 0.000) 4.368 2.843 ( 0.000 -2.603 0.000) 2.603 3.055 ( 0.000 11.061 0.000) 11.061 3.109 ( 0.000 -6.349 0.000) 6.349 3.213 ( 0.000 -3.425 0.000) 3.425 3.267 ( 0.000 -0.325 0.000) 0.325 3.347 ( 0.000 -2.297 0.000) 2.297 3.407 ( 0.000 3.160 0.000) 3.160 3.508 ( 0.000 2.766 0.000) 2.766 3.608 ( 0.000 -1.044 0.000) 1.044 4.441 ( 0.000 -4.813 0.000) 4.813 4.517 ( 0.000 -4.766 0.000) 4.766 4.815 ( 0.000 -4.180 0.000) 4.180 4.816 ( 0.000 -0.394 0.000) 0.394 4.919 ( 0.000 -4.575 0.000) 4.575 5.098 ( 0.000 -3.331 0.000) 3.331 5.111 ( 0.000 2.167 0.000) 2.167 5.213 ( 0.000 0.578 0.000) 0.578 5.310 ( 0.000 -0.943 0.000) 0.943 5.312 ( 0.000 3.536 0.000) 3.536 5.484 ( 0.000 -0.980 0.000) 0.980 5.517 ( 0.000 -0.922 0.000) 0.922 5.604 ( 0.000 -3.755 0.000) 3.755 5.613 ( 0.000 -6.954 0.000) 6.954 5.764 ( 0.000 1.889 0.000) 1.889 5.872 ( 0.000 -1.139 0.000) 1.139 6.051 ( 0.000 5.671 0.000) 5.671 6.120 ( 0.000 9.135 0.000) 9.135 6.150 ( 0.000 -6.234 0.000) 6.234 6.234 ( 0.000 -4.351 0.000) 4.351 6.326 ( 0.000 3.409 0.000) 3.409 6.374 ( 0.000 4.630 0.000) 4.630 6.601 ( 0.000 5.876 0.000) 5.876 6.965 ( 0.000 -0.699 0.000) 0.699 7.049 ( 0.000 1.321 0.000) 1.321 7.173 ( 0.000 -0.633 0.000) 0.633 7.293 ( 0.000 -1.319 0.000) 1.319 7.364 ( 0.000 8.260 0.000) 8.260 7.459 ( 0.000 5.270 0.000) 5.270 7.773 ( 0.000 3.404 0.000) 3.404 8.029 ( 0.000 -4.137 0.000) 4.137 8.224 ( 0.000 3.420 0.000) 3.420 8.427 ( 0.000 -0.741 0.000) 0.741 8.658 ( 0.000 -2.923 0.000) 2.923 8.683 ( 0.000 -1.186 0.000) 1.186 8.737 ( 0.000 -1.936 0.000) 1.936 8.743 ( 0.000 -1.737 0.000) 1.737 8.994 ( 0.000 -1.678 0.000) 1.678 9.043 ( 0.000 1.253 0.000) 1.253 9.208 ( 0.000 2.217 0.000) 2.217 9.333 ( 0.000 0.851 0.000) 0.851 9.608 ( 0.000 -9.222 0.000) 9.222 9.798 ( 0.000 0.688 0.000) 0.688 9.832 ( 0.000 -2.336 0.000) 2.336 10.277 ( 0.000 5.137 0.000) 5.137 10.344 ( 0.000 1.270 0.000) 1.270 10.585 ( 0.000 -0.455 0.000) 0.455 10.927 ( 0.000 -4.115 0.000) 4.115 20.539 ( 0.000 1.560 0.000) 1.560 20.812 ( 0.000 -2.989 0.000) 2.989 20.906 ( 0.000 0.971 0.000) 0.971 20.950 ( 0.000 1.067 0.000) 1.067 22.741 ( 0.000 1.166 0.000) 1.166 22.850 ( 0.000 -0.291 0.000) 0.291 23.046 ( 0.000 0.590 0.000) 0.590 23.120 ( 0.000 -0.393 0.000) 0.393 24.645 ( 0.000 -0.494 0.000) 0.494 24.698 ( 0.000 -2.034 0.000) 2.034 24.865 ( 0.000 1.969 0.000) 1.969 24.930 ( 0.000 0.073 0.000) 0.073 25.888 ( 0.000 0.647 0.000) 0.647 25.896 ( 0.000 0.575 0.000) 0.575 26.094 ( 0.000 1.310 0.000) 1.310 26.408 ( 0.000 -3.395 0.000) 3.395 28.272 ( 0.000 -0.149 0.000) 0.149 28.292 ( 0.000 -0.600 0.000) 0.600 28.533 ( 0.000 0.334 0.000) 0.334 28.557 ( 0.000 -0.066 0.000) 0.066 28.635 ( 0.000 -0.047 0.000) 0.047 28.660 ( 0.000 1.350 0.000) 1.350 28.681 ( 0.000 -0.714 0.000) 0.714 28.850 ( 0.000 -1.362 0.000) 1.362 32.295 ( 0.000 1.048 0.000) 1.048 32.400 ( 0.000 -0.412 0.000) 0.412 32.438 ( 0.000 1.226 0.000) 1.226 32.621 ( 0.000 -1.294 0.000) 1.294 35.330 ( 0.000 0.849 0.000) 0.849 35.510 ( 0.000 -2.311 0.000) 2.311 35.534 ( 0.000 0.936 0.000) 0.936 35.586 ( 0.000 0.752 0.000) 0.752 88.682 ( 0.000 0.689 0.000) 0.689 88.766 ( 0.000 -0.583 0.000) 0.583 88.923 ( 0.000 0.677 0.000) 0.677 89.108 ( 0.000 -1.924 0.000) 1.924 97.630 ( 0.000 0.070 0.000) 0.070 97.643 ( 0.000 -0.101 0.000) 0.101 97.666 ( 0.000 -0.000 0.000) 0.000 97.691 ( 0.000 -0.392 0.000) 0.392 98.675 ( 0.000 0.510 0.000) 0.510 98.677 ( 0.000 -0.056 0.000) 0.056 98.921 ( 0.000 4.026 0.000) 4.026 99.423 ( 0.000 -4.923 0.000) 4.923 99.624 ( 0.000 2.684 0.000) 2.684 99.731 ( 0.000 0.411 0.000) 0.411 99.772 ( 0.000 0.466 0.000) 0.466 99.980 ( 0.000 -2.014 0.000) 2.014 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 10.181 16.052 3.208) 19.277 0.681 ( 11.959 14.089 15.210) 23.935 1.130 ( 24.947 25.082 6.495) 35.967 1.761 ( 1.811 -4.400 1.140) 4.893 1.875 ( -1.135 2.430 5.413) 6.041 1.986 ( 1.165 2.026 -10.982) 11.228 2.070 ( 1.443 -2.022 1.063) 2.702 2.164 ( -1.468 -5.711 1.055) 5.991 2.194 ( -2.375 5.864 4.595) 7.819 2.270 ( -0.123 -1.699 -0.980) 1.966 2.375 ( -1.960 -3.578 4.716) 6.236 2.506 ( -0.088 -0.441 -0.429) 0.622 2.546 ( -1.115 -3.355 3.280) 4.823 2.642 ( -3.006 0.925 -1.204) 3.367 2.786 ( 0.814 3.809 2.025) 4.390 2.851 ( -1.590 -2.004 3.243) 4.131 3.016 ( -3.548 8.999 -0.608) 9.692 3.105 ( -0.122 -5.273 -0.859) 5.344 3.177 ( -4.411 -1.995 0.469) 4.863 3.250 ( -0.318 0.502 -2.285) 2.361 3.335 ( 0.646 -2.877 -4.289) 5.205 3.391 ( -0.377 1.981 -2.428) 3.156 3.513 ( 1.496 3.478 -2.496) 4.535 3.594 ( 3.099 -0.712 -6.257) 7.019 4.418 ( -2.586 -3.886 0.098) 4.669 4.488 ( -4.145 1.375 0.581) 4.406 4.680 ( -3.047 -0.868 -9.679) 10.184 4.794 ( -1.855 -3.533 -1.528) 4.273 4.841 ( -0.851 0.466 2.235) 2.436 4.999 ( -4.753 4.256 -0.612) 6.409 5.079 ( -1.403 1.063 -7.259) 7.470 5.132 ( -3.093 0.146 0.823) 3.204 5.280 ( 3.873 0.380 3.279) 5.089 5.396 ( -2.532 -4.166 -2.808) 5.626 5.519 ( 1.206 -0.575 -0.512) 1.431 5.546 ( -1.713 -0.688 1.449) 2.346 5.632 ( -1.233 -5.444 2.416) 6.082 5.711 ( 1.191 -5.234 6.475) 8.411 5.744 ( 2.905 -1.545 -2.664) 4.233 5.878 ( -0.298 -1.745 1.267) 2.176 6.024 ( -9.549 -2.111 5.720) 11.330 6.091 ( -1.871 7.492 -0.674) 7.752 6.101 ( 1.871 5.324 -0.184) 5.646 6.184 ( -8.626 1.759 0.322) 8.809 6.312 ( 0.735 3.262 -1.451) 3.645 6.458 ( -0.091 3.060 -0.581) 3.116 6.666 ( 7.268 -0.357 0.686) 7.309 6.982 ( -3.781 -3.694 -3.914) 6.577 7.045 ( 0.015 -0.914 1.618) 1.858 7.123 ( -3.730 2.091 -4.480) 6.193 7.258 ( 1.969 2.322 -4.453) 5.394 7.315 ( 1.260 0.377 -0.020) 1.315 7.543 ( -2.335 2.869 11.673) 12.245 7.819 ( -6.223 -4.709 9.899) 12.605 8.016 ( -7.306 4.171 -7.273) 11.120 8.027 ( -5.080 -1.155 -0.900) 5.287 8.417 ( -8.340 -0.488 6.034) 10.306 8.643 ( -0.490 -1.228 -2.361) 2.706 8.702 ( 1.986 1.456 -1.956) 3.144 8.711 ( -0.836 -4.324 -0.158) 4.407 8.795 ( 2.890 0.293 2.934) 4.129 9.045 ( 1.767 0.597 5.983) 6.267 9.108 ( 6.858 0.725 -3.967) 7.955 9.242 ( 6.564 2.892 0.529) 7.192 9.330 ( -0.554 -1.614 0.517) 1.783 9.552 ( -0.689 -4.978 -3.548) 6.151 9.791 ( 6.348 -0.635 -6.950) 9.434 9.866 ( -0.306 1.005 3.151) 3.321 10.254 ( -2.359 4.138 2.818) 5.534 10.416 ( 5.708 1.133 1.762) 6.080 10.639 ( 6.381 -3.956 -5.639) 9.390 10.973 ( 4.173 -4.456 1.883) 6.389 20.534 ( -0.489 1.449 -0.185) 1.540 20.694 ( -7.345 3.830 -4.348) 9.355 20.874 ( -1.839 3.025 -1.353) 3.790 20.904 ( -1.576 1.410 0.776) 2.252 22.758 ( 1.052 1.052 1.635) 2.210 22.836 ( -0.797 0.191 -1.441) 1.658 23.068 ( 1.335 -0.272 1.214) 1.825 23.107 ( -0.329 -0.254 -1.391) 1.452 24.653 ( -1.801 -2.005 2.447) 3.641 24.704 ( 0.216 -2.508 0.625) 2.593 24.870 ( 0.495 2.193 0.402) 2.283 24.943 ( 0.447 0.450 1.201) 1.358 25.854 ( -4.424 0.658 0.323) 4.484 25.868 ( -3.016 0.759 -0.013) 3.110 26.085 ( -0.876 1.076 -0.328) 1.426 26.224 ( -9.018 5.470 -3.124) 11.001 28.277 ( 0.644 -0.315 0.467) 0.856 28.294 ( -1.305 -0.218 2.344) 2.691 28.525 ( -0.746 0.467 -0.375) 0.957 28.622 ( -2.141 0.789 0.507) 2.337 28.632 ( -0.336 -0.399 0.087) 0.529 28.689 ( 2.879 -2.346 0.145) 3.716 28.793 ( 8.931 -7.661 3.022) 12.148 28.846 ( -0.437 -1.394 -0.025) 1.461 32.297 ( 0.425 0.995 -0.148) 1.092 32.415 ( 0.476 -0.004 0.695) 0.842 32.453 ( -0.580 -0.490 2.736) 2.839 32.605 ( -1.335 -0.743 -0.331) 1.563 35.341 ( 0.799 0.771 0.680) 1.302 35.474 ( -2.541 0.071 -0.351) 2.566 35.527 ( 0.051 1.788 -1.970) 2.661 35.566 ( -0.160 0.906 0.283) 0.963 88.743 ( 9.272 -2.765 -8.414) 12.822 88.772 ( 2.000 -0.854 -1.932) 2.909 88.944 ( 3.044 0.996 -0.938) 3.338 89.154 ( 3.623 -1.749 2.793) 4.898 97.634 ( 0.604 0.022 -0.084) 0.610 97.647 ( 0.740 -0.031 -0.008) 0.741 97.698 ( 3.457 -1.849 -1.771) 4.302 97.722 ( 3.673 -1.308 -1.288) 4.106 98.671 ( 0.048 0.416 0.170) 0.452 98.695 ( 0.690 -0.325 0.951) 1.219 98.896 ( -2.069 4.100 -1.259) 4.762 99.072 ( -11.609 11.676 -8.188) 18.388 99.595 ( 0.100 1.487 0.718) 1.654 99.723 ( -1.165 0.648 0.037) 1.334 99.937 ( -0.889 -1.908 -3.318) 3.930 100.164 ( 9.480 -13.933 10.635) 19.928 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 19.002 4.381 5.723) 20.323 1.069 ( 14.453 9.146 14.552) 22.457 1.604 ( 20.716 13.564 6.105) 25.503 1.831 ( 4.038 -0.784 1.733) 4.464 1.894 ( 4.438 1.370 -10.471) 11.455 1.943 ( -0.272 3.693 5.682) 6.782 2.080 ( 1.002 -1.833 0.356) 2.119 2.094 ( -5.213 0.701 1.568) 5.488 2.254 ( -0.606 0.062 2.047) 2.136 2.296 ( 1.596 -3.789 7.501) 8.554 2.398 ( -1.155 1.795 5.730) 6.115 2.493 ( -1.898 -3.268 0.126) 3.782 2.556 ( -4.549 1.963 -1.819) 5.278 2.581 ( -0.592 -4.724 4.763) 6.735 2.793 ( -4.186 3.014 3.940) 6.490 2.859 ( -1.520 -0.579 3.320) 3.697 2.949 ( -3.577 3.796 0.293) 5.224 3.065 ( -2.655 -2.661 -4.239) 5.665 3.110 ( -2.130 -1.977 -0.399) 2.933 3.202 ( -2.332 2.261 -2.662) 4.200 3.278 ( -0.001 -2.802 -7.077) 7.612 3.346 ( -1.291 -0.308 -3.221) 3.483 3.483 ( 1.178 4.891 -6.938) 8.570 3.601 ( 6.044 0.202 -7.109) 9.333 4.374 ( -1.864 -1.987 0.248) 2.736 4.452 ( -1.433 1.078 1.319) 2.226 4.623 ( 1.161 -4.283 -3.430) 5.609 4.719 ( -4.540 -2.977 -2.126) 5.830 4.839 ( -2.722 -2.134 1.542) 3.786 4.930 ( -1.254 4.561 -2.188) 5.212 5.002 ( -1.227 3.625 -0.568) 3.869 5.106 ( -2.744 -2.591 3.716) 5.296 5.321 ( -2.306 -3.736 -3.456) 5.588 5.365 ( 1.206 -1.586 -1.315) 2.387 5.475 ( -0.449 -0.987 -5.777) 5.878 5.533 ( -1.577 -0.868 3.955) 4.345 5.602 ( -4.161 -0.888 2.496) 4.933 5.757 ( -1.177 -0.063 3.060) 3.279 5.772 ( -1.589 -5.239 2.133) 5.876 5.844 ( -6.349 -1.696 -1.873) 6.834 5.927 ( -12.607 0.512 3.235) 13.025 5.983 ( -0.560 -0.913 0.178) 1.086 6.080 ( -1.679 4.301 0.798) 4.685 6.189 ( 5.306 5.776 0.673) 7.872 6.299 ( -0.212 3.649 -3.568) 5.108 6.403 ( -1.570 0.627 -5.092) 5.366 6.746 ( 1.559 3.170 -0.935) 3.654 6.788 ( -7.624 -3.165 -7.493) 11.148 6.955 ( -7.520 -0.187 -5.421) 9.272 7.087 ( 0.179 -3.111 2.457) 3.968 7.267 ( 2.651 2.183 -1.669) 3.819 7.400 ( 5.248 -1.136 1.650) 5.617 7.537 ( -10.804 1.777 1.710) 11.082 7.709 ( -12.456 -2.446 7.732) 14.863 7.834 ( -7.270 7.171 5.757) 11.723 8.031 ( -1.060 -2.354 3.143) 4.068 8.323 ( -8.343 2.574 4.493) 9.819 8.587 ( -0.958 0.779 -5.266) 5.408 8.674 ( 0.427 -0.560 -4.278) 4.335 8.738 ( -0.051 -3.125 3.305) 4.549 8.875 ( 1.410 2.515 4.258) 5.142 9.097 ( 2.000 2.174 -1.017) 3.124 9.192 ( 5.353 0.960 1.270) 5.585 9.318 ( -0.690 -5.301 -0.464) 5.366 9.443 ( 13.211 2.313 1.770) 13.528 9.574 ( 5.661 0.200 -0.997) 5.752 9.797 ( 2.858 0.302 -6.300) 6.925 9.929 ( 5.528 -1.448 -0.319) 5.723 10.270 ( 0.465 1.358 2.786) 3.134 10.524 ( 4.315 0.329 1.655) 4.633 10.651 ( 2.111 -3.057 -4.686) 5.980 11.090 ( 6.115 -5.591 3.130) 8.857 20.521 ( -0.672 1.193 -0.199) 1.384 20.581 ( -2.999 3.226 -1.682) 4.715 20.835 ( -2.020 1.931 -0.437) 2.828 20.884 ( -1.630 0.833 0.471) 1.890 22.790 ( -0.959 0.565 -1.508) 1.875 22.811 ( 1.269 1.050 1.453) 2.197 23.062 ( -0.966 -0.689 -2.254) 2.547 23.133 ( 2.552 -0.734 2.340) 3.540 24.632 ( -2.435 -1.727 0.738) 3.075 24.714 ( -0.002 -3.730 0.847) 3.825 24.889 ( 0.947 2.962 0.867) 3.228 24.965 ( 0.700 1.193 1.010) 1.713 25.767 ( -5.831 0.623 0.167) 5.866 25.798 ( -5.101 1.192 -0.054) 5.239 26.061 ( -1.685 0.515 -0.119) 1.766 26.110 ( -4.316 2.589 0.186) 5.037 28.298 ( 0.116 -0.150 1.054) 1.071 28.302 ( 1.233 -0.330 0.476) 1.362 28.503 ( -1.221 0.797 -0.558) 1.561 28.596 ( -1.626 0.661 1.025) 2.033 28.629 ( -0.369 -0.331 0.213) 0.540 28.714 ( 1.082 -0.955 -0.742) 1.623 28.829 ( -1.154 -1.041 -0.301) 1.583 28.908 ( 3.112 -6.161 0.858) 6.955 32.307 ( 1.042 0.815 -0.159) 1.333 32.428 ( 0.421 0.208 0.430) 0.637 32.461 ( -1.413 -0.392 2.006) 2.484 32.578 ( -1.500 -0.441 -0.396) 1.613 35.369 ( 1.298 0.569 1.124) 1.809 35.448 ( -0.561 -0.164 -0.020) 0.584 35.509 ( -0.201 1.869 -1.043) 2.150 35.574 ( 0.699 0.127 -0.131) 0.722 88.775 ( 1.758 -1.170 -1.304) 2.481 88.798 ( 6.281 -2.274 -7.022) 9.692 89.000 ( 4.517 1.579 -0.589) 4.821 89.271 ( 4.766 -2.393 5.059) 7.351 97.647 ( 1.069 -0.085 -0.086) 1.076 97.665 ( 1.287 0.059 0.175) 1.300 97.729 ( 3.110 -2.249 -3.504) 5.197 97.772 ( 3.203 -1.010 0.701) 3.431 98.678 ( 0.388 0.256 0.332) 0.572 98.715 ( 0.502 -0.347 0.974) 1.149 98.835 ( -3.017 4.584 -1.244) 5.627 98.907 ( -4.449 6.596 -2.127) 8.236 99.611 ( 0.451 1.784 1.104) 2.146 99.696 ( -2.081 0.488 -0.015) 2.137 99.864 ( -1.458 -0.600 -5.752) 5.964 100.329 ( 2.866 -9.656 4.689) 11.111 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 15.965 1.872 6.140) 17.207 1.440 ( 12.897 5.808 11.243) 18.069 1.824 ( 6.051 1.806 -7.501) 9.805 1.840 ( 1.940 3.647 -1.097) 4.275 1.922 ( 1.352 4.201 -1.799) 4.765 1.990 ( -0.796 1.703 3.496) 3.970 2.085 ( 3.910 -0.292 4.065) 5.648 2.208 ( 5.655 2.802 1.411) 6.467 2.294 ( 4.101 -0.169 6.260) 7.486 2.345 ( -3.557 -1.379 3.101) 4.916 2.423 ( -4.086 -4.401 0.103) 6.006 2.445 ( -2.421 1.594 2.778) 4.015 2.550 ( 2.205 1.100 7.917) 8.291 2.590 ( -3.995 -1.061 2.681) 4.926 2.758 ( -4.795 0.834 6.109) 7.811 2.854 ( -1.677 1.987 -0.368) 2.626 2.942 ( 0.333 -2.592 3.654) 4.492 2.964 ( -2.958 0.044 -2.744) 4.035 3.077 ( -0.240 -2.317 -3.059) 3.845 3.137 ( -1.039 -0.065 -3.331) 3.490 3.181 ( -1.810 -0.875 -8.399) 8.637 3.285 ( -2.058 -0.074 -3.182) 3.791 3.415 ( -0.402 5.841 -6.690) 8.891 3.630 ( 5.593 -0.270 -5.873) 8.115 4.362 ( -1.289 -0.881 1.550) 2.200 4.453 ( 0.560 -2.712 0.372) 2.794 4.606 ( -0.562 -3.426 -1.371) 3.733 4.622 ( -4.085 -2.957 -1.702) 5.323 4.793 ( -3.302 -1.557 0.624) 3.704 4.922 ( 2.023 3.344 -0.552) 3.947 5.019 ( 3.466 2.851 -1.425) 4.708 5.104 ( -3.137 -0.944 2.631) 4.202 5.211 ( -6.475 -0.468 -0.895) 6.554 5.328 ( 0.217 -4.047 -4.477) 6.039 5.426 ( -1.015 -3.643 -2.425) 4.492 5.532 ( -3.089 -2.900 0.878) 4.327 5.580 ( -1.850 -1.042 0.720) 2.242 5.602 ( -10.380 -0.503 -1.514) 10.502 5.712 ( -10.101 0.125 2.053) 10.308 5.776 ( -3.368 1.072 4.786) 5.949 5.805 ( -2.494 -3.149 -0.368) 4.034 6.014 ( 0.139 -0.143 -0.255) 0.323 6.160 ( 5.944 -0.290 5.774) 8.292 6.184 ( -2.697 2.543 -5.800) 6.883 6.285 ( 4.059 3.330 -1.591) 5.486 6.333 ( -0.807 -1.389 -4.220) 4.515 6.617 ( -2.752 -1.784 -6.989) 7.720 6.712 ( -4.353 8.290 -1.687) 9.514 6.797 ( -5.560 -4.380 -2.380) 7.468 7.086 ( -4.193 -5.057 -0.199) 6.572 7.283 ( 0.890 1.006 -1.809) 2.253 7.348 ( -2.169 5.767 -3.206) 6.946 7.508 ( 4.502 4.513 1.346) 6.515 7.646 ( -10.624 1.687 13.038) 16.903 7.808 ( -4.995 4.461 6.277) 9.179 8.054 ( -0.903 -2.499 4.313) 5.066 8.249 ( -5.726 2.099 3.213) 6.893 8.519 ( 0.267 1.263 -5.758) 5.901 8.631 ( -0.195 -0.428 -3.710) 3.739 8.756 ( -2.558 -0.494 3.414) 4.294 8.913 ( 0.573 0.580 0.227) 0.846 9.145 ( 2.840 5.468 2.452) 6.631 9.258 ( 4.032 -6.148 -4.864) 8.816 9.322 ( -0.284 3.193 3.770) 4.949 9.653 ( 9.028 2.808 0.800) 9.488 9.682 ( 6.458 -0.464 0.995) 6.551 9.782 ( 3.839 -1.122 -5.953) 7.172 10.005 ( 4.169 -2.421 -1.351) 5.006 10.327 ( 2.558 -0.287 3.300) 4.186 10.569 ( -0.646 -1.499 -0.497) 1.707 10.635 ( 1.311 -1.033 -1.833) 2.479 11.219 ( 4.810 -6.659 3.005) 8.747 20.509 ( -0.472 1.086 -0.188) 1.199 20.536 ( -1.208 1.569 -0.683) 2.094 20.798 ( -1.766 1.422 -0.245) 2.280 20.862 ( -1.357 0.475 0.318) 1.473 22.741 ( -1.439 0.961 -2.134) 2.747 22.861 ( 1.568 0.299 1.788) 2.397 23.022 ( -0.816 -0.222 -1.950) 2.125 23.205 ( 2.524 -1.591 2.414) 3.838 24.599 ( -1.809 -1.326 -0.039) 2.244 24.719 ( -0.362 -4.775 0.532) 4.818 24.918 ( 1.269 3.737 1.082) 4.092 24.984 ( 0.586 1.710 0.499) 1.876 25.676 ( -4.697 0.887 -0.265) 4.788 25.713 ( -4.822 1.246 0.253) 4.986 26.031 ( -1.703 -0.024 0.062) 1.704 26.056 ( -2.867 0.573 0.531) 2.971 28.309 ( 0.475 0.045 0.334) 0.582 28.335 ( 1.800 -0.550 0.381) 1.920 28.477 ( -1.135 1.177 -0.468) 1.701 28.591 ( -0.828 0.170 1.673) 1.874 28.624 ( -0.327 -0.417 -0.029) 0.531 28.714 ( 0.102 -0.076 -0.926) 0.935 28.801 ( -1.477 -0.950 -0.686) 1.885 28.944 ( 1.014 -3.909 0.282) 4.049 32.328 ( 1.692 0.437 -0.179) 1.757 32.430 ( -1.434 -1.018 0.812) 1.937 32.461 ( 0.176 1.130 0.695) 1.338 32.548 ( -1.502 0.008 -0.428) 1.562 35.404 ( 1.333 0.267 1.175) 1.797 35.444 ( -0.014 -0.647 -0.215) 0.682 35.498 ( -0.116 1.777 -0.528) 1.857 35.583 ( 0.564 -0.061 -0.211) 0.605 88.788 ( 1.129 -0.929 -0.719) 1.630 88.821 ( 3.802 -1.882 -4.225) 5.987 89.071 ( 4.031 1.653 0.153) 4.360 89.397 ( 3.487 -3.172 4.868) 6.776 97.667 ( 1.121 -0.241 0.243) 1.172 97.689 ( 1.126 0.083 0.244) 1.155 97.730 ( 1.410 -1.252 -3.034) 3.572 97.839 ( 3.135 -1.759 1.399) 3.858 98.688 ( 0.515 0.204 0.085) 0.560 98.732 ( 0.346 0.161 0.793) 0.880 98.785 ( -1.980 3.633 -0.304) 4.149 98.832 ( -2.936 3.567 -1.140) 4.758 99.622 ( -0.681 1.169 0.129) 1.359 99.666 ( -0.971 0.719 0.517) 1.314 99.783 ( -0.944 1.284 -5.283) 5.518 100.396 ( 1.198 -6.928 2.424) 7.437 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 6.663 3.105 2.799) 7.866 1.679 ( 3.557 2.521 4.821) 6.500 1.816 ( 3.660 2.692 -4.544) 6.426 1.858 ( 0.660 5.848 -1.509) 6.075 1.943 ( 1.778 1.246 2.388) 3.228 2.025 ( -0.321 1.950 6.093) 6.405 2.138 ( 0.832 -0.826 -6.804) 6.904 2.251 ( 4.251 1.883 -2.118) 5.109 2.284 ( -2.403 -3.678 0.678) 4.445 2.348 ( -5.635 0.863 2.124) 6.084 2.423 ( -0.705 1.928 3.425) 3.992 2.463 ( -1.382 -1.019 2.181) 2.776 2.572 ( 2.387 0.929 2.004) 3.252 2.675 ( 1.617 -0.743 4.385) 4.732 2.774 ( -1.136 0.040 4.065) 4.221 2.827 ( -0.878 0.338 2.126) 2.325 2.887 ( -1.988 -0.194 -0.772) 2.142 3.034 ( -0.792 -1.873 -2.825) 3.481 3.044 ( 2.778 -1.283 -2.831) 4.168 3.065 ( -0.049 0.310 -0.431) 0.533 3.109 ( 0.190 -2.446 -0.182) 2.460 3.205 ( -2.781 -0.030 -4.241) 5.071 3.347 ( -0.961 6.870 -2.685) 7.439 3.656 ( 2.386 -1.626 -2.249) 3.659 4.355 ( -0.861 -0.250 0.706) 1.142 4.482 ( 2.008 -4.947 0.679) 5.383 4.548 ( -2.605 -2.924 -1.281) 4.120 4.586 ( -0.614 -1.907 -0.436) 2.050 4.758 ( -1.420 -0.233 0.532) 1.534 4.963 ( 2.785 1.692 -0.553) 3.305 5.018 ( -4.949 0.869 -0.758) 5.081 5.071 ( 4.019 0.767 -2.161) 4.627 5.145 ( -4.228 1.430 3.016) 5.387 5.296 ( 0.161 -2.939 -2.379) 3.784 5.368 ( -2.458 -5.119 -0.545) 5.705 5.472 ( -1.129 -1.681 -0.688) 2.139 5.495 ( -3.063 -3.973 0.508) 5.042 5.563 ( -3.267 -4.461 0.340) 5.540 5.638 ( 1.922 0.837 0.947) 2.301 5.757 ( -0.555 -0.266 -2.403) 2.480 5.771 ( -4.960 -1.718 3.582) 6.355 5.951 ( -2.082 2.279 -2.020) 3.689 6.136 ( 0.152 -3.090 -1.685) 3.523 6.287 ( 0.174 -1.389 -0.860) 1.643 6.328 ( 1.961 5.169 -0.724) 5.576 6.333 ( 4.282 -1.355 5.846) 7.372 6.526 ( 0.407 -1.066 -6.568) 6.666 6.638 ( -2.318 6.972 -0.473) 7.363 6.688 ( -5.010 -1.699 -0.483) 5.312 6.988 ( -3.021 -2.518 -1.552) 4.228 7.307 ( 2.056 1.241 0.154) 2.406 7.337 ( -0.084 4.411 0.124) 4.414 7.580 ( 3.886 7.117 -1.712) 8.287 7.617 ( -5.493 6.063 6.795) 10.635 7.793 ( -2.065 2.363 2.320) 3.903 8.092 ( 0.338 -3.257 3.285) 4.638 8.192 ( -3.294 -0.637 0.333) 3.371 8.484 ( 0.996 2.221 -2.804) 3.713 8.597 ( -0.531 -0.376 -1.150) 1.321 8.733 ( -2.175 1.489 1.049) 2.837 8.919 ( 0.532 -0.768 -0.532) 1.075 9.213 ( 1.232 8.482 2.209) 8.851 9.258 ( 1.404 -5.469 -2.381) 6.128 9.351 ( 0.043 3.433 1.093) 3.603 9.751 ( 1.896 -3.398 -1.042) 4.028 9.752 ( 2.747 3.563 0.011) 4.499 9.817 ( 3.174 -1.626 -0.694) 3.633 10.038 ( 1.251 -2.474 -0.594) 2.835 10.417 ( 3.869 -1.203 3.053) 5.074 10.510 ( -3.535 -1.773 -2.390) 4.621 10.647 ( 0.610 -0.506 -0.082) 0.797 11.298 ( 1.724 -7.127 1.268) 7.442 20.502 ( -0.142 1.354 -0.130) 1.367 20.520 ( -0.370 0.684 -0.160) 0.794 20.775 ( -0.700 1.162 -0.084) 1.359 20.849 ( -0.528 0.254 0.119) 0.598 22.707 ( -0.589 1.000 -0.838) 1.432 22.890 ( 0.510 -0.726 0.455) 0.997 23.001 ( -0.198 0.646 -0.536) 0.862 23.255 ( 1.061 -2.049 0.995) 2.513 24.577 ( -0.661 -1.139 -0.090) 1.320 24.717 ( -0.228 -5.189 0.141) 5.196 24.947 ( 0.695 4.312 0.653) 4.416 24.993 ( 0.167 1.706 -0.000) 1.714 25.617 ( -1.829 1.434 -0.239) 2.336 25.656 ( -1.994 0.958 0.208) 2.222 26.011 ( -0.712 -0.310 0.035) 0.777 26.026 ( -1.107 -0.144 0.203) 1.134 28.318 ( 0.321 0.111 0.072) 0.348 28.362 ( 0.849 -0.786 0.148) 1.166 28.460 ( -0.426 1.474 -0.172) 1.544 28.600 ( -0.280 -0.676 1.475) 1.647 28.617 ( -0.071 -0.544 -0.555) 0.781 28.704 ( -0.091 1.524 -0.610) 1.644 28.774 ( -0.820 -1.385 -0.345) 1.646 28.956 ( 0.253 -2.940 0.081) 2.952 32.356 ( 1.675 -0.027 -0.200) 1.687 32.405 ( -1.807 -0.967 0.455) 2.099 32.478 ( 0.809 1.231 0.341) 1.512 32.521 ( -1.061 0.469 -0.343) 1.210 35.432 ( 0.671 -0.057 0.685) 0.960 35.441 ( -0.007 -0.567 -0.260) 0.624 35.492 ( -0.110 1.649 -0.228) 1.668 35.588 ( 0.209 -0.118 -0.086) 0.255 88.796 ( 0.427 -0.848 -0.273) 0.988 88.834 ( 1.263 -1.623 -1.365) 2.468 89.123 ( 1.664 1.458 0.178) 2.220 89.475 ( 1.162 -3.573 2.032) 4.272 97.687 ( 0.665 -0.521 0.636) 1.057 97.703 ( 0.311 -0.297 -0.026) 0.430 97.718 ( 0.325 -0.161 -1.491) 1.535 97.890 ( 1.335 -2.341 0.687) 2.781 98.695 ( 0.323 0.411 -0.055) 0.525 98.743 ( 0.121 1.206 0.377) 1.270 98.765 ( -0.169 2.363 0.081) 2.371 98.784 ( -1.735 2.144 -0.534) 2.810 99.599 ( -0.871 -0.370 -0.439) 1.043 99.676 ( 0.451 0.381 0.919) 1.092 99.728 ( -0.562 4.050 -2.462) 4.773 100.426 ( 0.368 -5.873 0.793) 5.938 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 18.063 0.000) 18.063 0.992 ( 0.000 22.415 0.000) 22.415 1.394 ( 0.000 7.654 0.000) 7.654 1.683 ( 0.000 11.289 0.000) 11.289 1.860 ( 0.000 -14.779 0.000) 14.779 1.924 ( 0.000 3.698 0.000) 3.698 2.098 ( 0.000 3.709 0.000) 3.709 2.112 ( 0.000 -4.065 0.000) 4.065 2.200 ( 0.000 1.418 0.000) 1.418 2.229 ( 0.000 -3.077 0.000) 3.077 2.402 ( 0.000 8.050 0.000) 8.050 2.485 ( 0.000 -3.479 0.000) 3.479 2.549 ( 0.000 -1.585 0.000) 1.585 2.676 ( 0.000 1.203 0.000) 1.203 2.740 ( 0.000 -8.004 0.000) 8.004 2.895 ( 0.000 6.859 0.000) 6.859 2.909 ( 0.000 -10.352 0.000) 10.352 3.128 ( 0.000 -3.946 0.000) 3.946 3.242 ( 0.000 3.176 0.000) 3.176 3.307 ( 0.000 -1.570 0.000) 1.570 3.317 ( 0.000 7.424 0.000) 7.424 3.481 ( 0.000 3.519 0.000) 3.519 3.553 ( 0.000 -0.366 0.000) 0.366 3.576 ( 0.000 -1.003 0.000) 1.003 4.340 ( 0.000 -3.698 0.000) 3.698 4.389 ( 0.000 -6.022 0.000) 6.022 4.725 ( 0.000 -3.270 0.000) 3.270 4.756 ( 0.000 -4.280 0.000) 4.280 4.897 ( 0.000 2.747 0.000) 2.747 5.057 ( 0.000 -0.881 0.000) 0.881 5.176 ( 0.000 2.704 0.000) 2.704 5.183 ( 0.000 -2.903 0.000) 2.903 5.308 ( 0.000 0.820 0.000) 0.820 5.349 ( 0.000 -0.444 0.000) 0.444 5.447 ( 0.000 -2.273 0.000) 2.273 5.467 ( 0.000 -2.393 0.000) 2.393 5.527 ( 0.000 -2.184 0.000) 2.184 5.529 ( 0.000 -1.992 0.000) 1.992 5.820 ( 0.000 2.907 0.000) 2.907 5.849 ( 0.000 -0.511 0.000) 0.511 6.029 ( 0.000 -3.864 0.000) 3.864 6.115 ( 0.000 -5.351 0.000) 5.351 6.178 ( 0.000 5.527 0.000) 5.527 6.261 ( 0.000 3.895 0.000) 3.895 6.385 ( 0.000 1.521 0.000) 1.521 6.424 ( 0.000 -1.286 0.000) 1.286 6.817 ( 0.000 12.327 0.000) 12.327 6.972 ( 0.000 1.294 0.000) 1.294 7.098 ( 0.000 3.012 0.000) 3.012 7.204 ( 0.000 4.110 0.000) 4.110 7.243 ( 0.000 -3.189 0.000) 3.189 7.491 ( 0.000 0.907 0.000) 0.907 7.580 ( 0.000 5.459 0.000) 5.459 7.791 ( 0.000 -3.862 0.000) 3.862 8.012 ( 0.000 5.896 0.000) 5.896 8.301 ( 0.000 2.344 0.000) 2.344 8.406 ( 0.000 -0.948 0.000) 0.948 8.514 ( 0.000 -8.769 0.000) 8.769 8.674 ( 0.000 0.497 0.000) 0.497 8.708 ( 0.000 -1.231 0.000) 1.231 8.756 ( 0.000 3.071 0.000) 3.071 8.944 ( 0.000 -3.010 0.000) 3.010 9.062 ( 0.000 1.244 0.000) 1.244 9.258 ( 0.000 1.052 0.000) 1.052 9.362 ( 0.000 0.918 0.000) 0.918 9.378 ( 0.000 -9.699 0.000) 9.699 9.791 ( 0.000 -1.037 0.000) 1.037 9.793 ( 0.000 -1.283 0.000) 1.283 10.377 ( 0.000 3.800 0.000) 3.800 10.400 ( 0.000 3.314 0.000) 3.314 10.582 ( 0.000 0.828 0.000) 0.828 10.806 ( 0.000 -6.776 0.000) 6.776 20.587 ( 0.000 2.841 0.000) 2.841 20.738 ( 0.000 -3.739 0.000) 3.739 20.932 ( 0.000 1.325 0.000) 1.325 20.964 ( 0.000 0.177 0.000) 0.177 22.773 ( 0.000 1.740 0.000) 1.740 22.838 ( 0.000 -0.931 0.000) 0.931 23.064 ( 0.000 1.032 0.000) 1.032 23.107 ( 0.000 -0.764 0.000) 0.764 24.634 ( 0.000 -0.402 0.000) 0.402 24.657 ( 0.000 -1.594 0.000) 1.594 24.904 ( 0.000 1.524 0.000) 1.524 24.932 ( 0.000 0.022 0.000) 0.022 25.905 ( 0.000 0.807 0.000) 0.807 25.910 ( 0.000 0.587 0.000) 0.587 26.137 ( 0.000 2.662 0.000) 2.662 26.314 ( 0.000 -4.968 0.000) 4.968 28.269 ( 0.000 -0.123 0.000) 0.123 28.278 ( 0.000 -0.587 0.000) 0.587 28.542 ( 0.000 0.448 0.000) 0.448 28.555 ( 0.000 -0.127 0.000) 0.127 28.636 ( 0.000 0.145 0.000) 0.145 28.662 ( 0.000 -0.962 0.000) 0.962 28.701 ( 0.000 2.304 0.000) 2.304 28.810 ( 0.000 -2.319 0.000) 2.319 32.324 ( 0.000 1.578 0.000) 1.578 32.385 ( 0.000 -1.001 0.000) 1.001 32.476 ( 0.000 2.235 0.000) 2.235 32.582 ( 0.000 -2.253 0.000) 2.253 35.357 ( 0.000 1.686 0.000) 1.686 35.456 ( 0.000 -2.625 0.000) 2.625 35.559 ( 0.000 1.249 0.000) 1.249 35.593 ( 0.000 -0.089 0.000) 0.089 88.701 ( 0.000 1.082 0.000) 1.082 88.749 ( 0.000 -0.978 0.000) 0.978 88.947 ( 0.000 1.639 0.000) 1.639 89.054 ( 0.000 -2.869 0.000) 2.869 97.632 ( 0.000 0.143 0.000) 0.143 97.640 ( 0.000 -0.177 0.000) 0.177 97.667 ( 0.000 0.115 0.000) 0.115 97.681 ( 0.000 -0.484 0.000) 0.484 98.681 ( 0.000 0.358 0.000) 0.358 98.686 ( 0.000 0.375 0.000) 0.375 99.031 ( 0.000 5.953 0.000) 5.953 99.303 ( 0.000 -6.105 0.000) 6.105 99.676 ( 0.000 2.079 0.000) 2.079 99.732 ( 0.000 -0.454 0.000) 0.454 99.797 ( 0.000 2.014 0.000) 2.014 99.923 ( 0.000 -3.152 0.000) 3.152 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.277 21.093 1.707) 21.163 1.011 ( 6.577 15.680 11.222) 20.373 1.541 ( 10.765 0.176 4.706) 11.750 1.734 ( 5.861 12.069 -0.317) 13.421 1.849 ( -0.467 -13.189 -0.637) 13.213 1.948 ( 0.588 3.502 3.822) 5.217 2.054 ( 0.368 1.478 -6.462) 6.639 2.127 ( 2.413 0.119 0.458) 2.459 2.222 ( 2.028 0.728 0.046) 2.155 2.290 ( 1.264 -3.734 6.262) 7.399 2.371 ( -2.585 8.320 -0.964) 8.765 2.470 ( -1.913 -3.220 3.109) 4.868 2.529 ( -1.885 0.991 -1.998) 2.921 2.666 ( -1.933 1.251 -0.157) 2.308 2.765 ( 0.078 -5.671 3.526) 6.678 2.846 ( -2.236 -3.994 1.058) 4.698 2.954 ( 0.173 -2.234 1.682) 2.802 3.106 ( -3.001 -2.848 0.772) 4.208 3.190 ( -3.773 3.841 -2.856) 6.094 3.286 ( -0.233 -1.003 -3.526) 3.673 3.313 ( -0.694 4.766 -0.298) 4.826 3.441 ( -3.447 2.148 -2.201) 4.620 3.567 ( 3.380 0.435 -2.375) 4.153 3.576 ( 3.818 -0.106 -5.917) 7.043 4.337 ( -0.870 -2.748 1.235) 3.136 4.412 ( 1.546 -5.545 0.826) 5.816 4.647 ( -6.188 -1.409 -4.329) 7.682 4.708 ( -1.267 -3.971 -2.377) 4.799 4.885 ( -5.265 3.905 5.490) 8.550 5.032 ( -2.511 -0.456 1.308) 2.868 5.109 ( -5.409 2.067 -2.310) 6.235 5.171 ( -0.464 1.624 -6.006) 6.239 5.271 ( -0.538 -2.182 1.154) 2.527 5.311 ( -1.978 -3.789 -0.245) 4.281 5.471 ( 2.905 -3.713 -3.763) 6.032 5.512 ( 1.594 -2.840 0.868) 3.370 5.543 ( -0.041 0.105 1.584) 1.588 5.609 ( 2.838 -3.166 5.664) 7.082 5.787 ( -0.719 3.184 -1.319) 3.520 5.858 ( -1.640 -0.456 2.796) 3.273 5.978 ( -6.190 -0.578 4.490) 7.669 6.126 ( -4.691 -4.003 1.675) 6.390 6.213 ( 3.439 4.862 -0.799) 6.009 6.267 ( 1.471 4.548 -1.688) 5.070 6.365 ( 0.126 1.899 -2.062) 2.806 6.503 ( 4.500 -2.233 4.336) 6.636 6.684 ( -4.985 6.755 -8.703) 12.092 6.986 ( -7.632 2.269 -5.141) 9.478 7.024 ( -2.574 -1.447 4.811) 5.645 7.183 ( -1.334 -6.614 -4.842) 8.305 7.213 ( -3.050 4.911 -1.054) 5.876 7.353 ( -3.990 0.654 -3.903) 5.620 7.639 ( -2.094 5.100 8.215) 9.894 7.778 ( -8.494 -1.264 9.967) 13.157 8.017 ( -1.354 4.277 1.243) 4.655 8.193 ( -4.133 8.570 -7.183) 11.922 8.347 ( -5.278 -5.969 0.686) 7.997 8.546 ( 0.328 -6.196 2.363) 6.639 8.694 ( -1.841 2.325 -0.105) 2.967 8.750 ( 3.157 1.839 -2.378) 4.359 8.810 ( 7.481 1.266 3.688) 8.436 9.007 ( 4.748 -4.784 0.943) 6.806 9.094 ( 3.116 0.273 -0.756) 3.218 9.261 ( 1.354 -4.618 -1.493) 5.038 9.337 ( 2.254 2.961 2.041) 4.244 9.455 ( 6.112 -2.069 -0.044) 6.453 9.775 ( 3.429 -0.544 -4.997) 6.085 9.828 ( 1.373 -2.854 0.809) 3.269 10.361 ( -1.788 4.755 0.756) 5.136 10.462 ( 5.904 2.306 0.110) 6.339 10.586 ( 0.903 -0.274 -1.213) 1.537 10.841 ( 3.198 -7.422 1.322) 8.189 20.577 ( -0.884 2.518 -0.318) 2.687 20.693 ( -3.455 -2.058 -1.899) 4.448 20.919 ( -1.260 1.418 -0.528) 1.969 20.939 ( -2.464 1.035 0.160) 2.677 22.788 ( 0.879 1.576 1.255) 2.198 22.836 ( 0.023 -0.319 -0.613) 0.692 23.067 ( -0.025 0.270 0.358) 0.450 23.097 ( -0.298 -0.698 -0.923) 1.195 24.626 ( -1.130 -0.648 0.226) 1.322 24.654 ( -0.514 -1.952 0.151) 2.025 24.914 ( 0.936 1.763 0.541) 2.068 24.949 ( 1.131 0.067 1.107) 1.584 25.872 ( -3.972 0.931 0.186) 4.084 25.884 ( -2.986 0.550 -0.010) 3.036 26.120 ( -1.624 2.206 -0.408) 2.770 26.245 ( -5.401 -2.095 -2.034) 6.140 28.273 ( 0.534 -0.041 0.333) 0.631 28.285 ( -0.316 -0.493 1.443) 1.557 28.539 ( -0.225 0.830 -0.307) 0.913 28.599 ( 2.461 -2.272 0.051) 3.350 28.639 ( -1.454 0.435 0.521) 1.604 28.649 ( 0.609 -0.313 1.694) 1.827 28.735 ( 3.563 0.083 -0.171) 3.568 28.808 ( -0.133 -2.116 -0.174) 2.128 32.326 ( 0.170 1.600 0.092) 1.611 32.395 ( 0.218 -1.387 1.139) 1.808 32.477 ( 0.047 2.081 0.252) 2.097 32.575 ( -0.648 -1.933 -0.254) 2.054 35.365 ( 0.599 1.488 0.479) 1.674 35.447 ( -0.795 -1.916 -0.124) 2.078 35.558 ( 0.207 1.176 -0.773) 1.423 35.582 ( -0.610 0.305 -0.401) 0.792 88.719 ( 3.128 0.026 -2.141) 3.790 88.751 ( 0.833 -1.035 -0.813) 1.558 88.975 ( 3.452 2.011 -0.339) 4.010 89.098 ( 3.699 -3.164 1.903) 5.227 97.636 ( 0.616 0.131 -0.215) 0.666 97.645 ( 0.840 -0.177 -0.104) 0.865 97.677 ( 1.603 -0.162 -0.730) 1.769 97.701 ( 1.936 -0.903 0.197) 2.145 98.684 ( 0.222 0.650 0.299) 0.749 98.694 ( 0.493 0.125 0.669) 0.841 99.001 ( -2.534 5.351 -1.310) 6.064 99.177 ( -7.735 -0.472 -5.321) 9.401 99.655 ( -0.034 3.699 0.669) 3.759 99.739 ( -1.172 0.579 0.083) 1.310 99.887 ( 1.273 -2.303 -1.256) 2.916 99.956 ( 5.903 -6.186 5.255) 10.036 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 9.793 14.625 3.406) 17.927 1.295 ( 9.060 10.604 14.526) 20.138 1.755 ( 6.274 -6.144 5.319) 10.266 1.817 ( 4.037 -3.263 -1.509) 5.406 1.882 ( 4.531 2.993 4.277) 6.912 1.991 ( 2.289 4.373 -2.822) 5.685 2.058 ( 6.909 1.433 -2.137) 7.372 2.176 ( 2.234 -3.882 -0.104) 4.481 2.253 ( -2.480 7.713 5.432) 9.755 2.321 ( -1.551 4.234 1.382) 4.716 2.387 ( 3.482 -3.518 3.484) 6.053 2.460 ( -3.282 0.451 -0.969) 3.452 2.516 ( 0.823 0.833 6.185) 6.295 2.607 ( -3.467 1.636 -1.059) 3.977 2.773 ( -4.045 -3.994 4.487) 7.242 2.849 ( -1.344 -3.501 2.654) 4.594 2.938 ( -3.315 -0.613 1.027) 3.525 3.057 ( -2.636 -2.507 -0.502) 3.673 3.078 ( -3.274 3.207 -6.150) 7.670 3.224 ( -1.503 -1.253 -5.342) 5.689 3.286 ( -2.124 2.679 -1.094) 3.589 3.341 ( -3.793 -0.052 -3.048) 4.867 3.568 ( 3.674 2.851 -7.304) 8.659 3.606 ( 5.577 0.274 -5.500) 7.838 4.339 ( -0.348 -0.765 1.170) 1.440 4.433 ( -1.504 -3.030 1.639) 3.759 4.540 ( -1.220 -1.937 -3.086) 3.842 4.642 ( -3.730 -4.096 -2.306) 6.001 4.819 ( -7.104 1.053 3.415) 7.952 4.992 ( -5.208 -3.266 1.266) 6.276 5.047 ( 0.032 3.426 1.797) 3.869 5.102 ( 0.131 3.864 -3.716) 5.362 5.232 ( -0.467 -3.520 -3.233) 4.802 5.330 ( -0.945 -3.737 -0.626) 3.905 5.428 ( -2.112 -2.325 -4.199) 5.244 5.487 ( -3.106 -4.370 0.419) 5.377 5.574 ( 0.029 0.940 2.485) 2.657 5.681 ( -2.623 -2.737 4.793) 6.111 5.785 ( -0.301 2.123 2.068) 2.979 5.843 ( -1.097 0.510 -3.068) 3.298 5.926 ( -7.490 0.236 6.436) 9.878 5.992 ( -11.416 0.059 2.393) 11.665 6.194 ( -1.858 7.133 -6.501) 9.828 6.281 ( 4.945 3.185 -1.760) 6.140 6.363 ( 1.269 -0.246 -4.142) 4.339 6.473 ( -6.067 7.032 -2.774) 9.693 6.668 ( 1.815 -8.273 -2.602) 8.861 6.717 ( -8.597 -3.080 -3.226) 9.686 7.009 ( -6.010 1.358 -2.488) 6.645 7.084 ( -5.245 2.978 2.248) 6.436 7.173 ( 0.507 -7.061 1.398) 7.216 7.339 ( 1.386 -3.836 0.570) 4.119 7.656 ( -5.061 7.647 4.604) 10.261 7.742 ( -6.354 4.146 9.535) 12.185 7.960 ( -4.226 2.516 -0.499) 4.943 8.120 ( -0.978 10.930 -0.107) 10.975 8.271 ( -4.825 -7.013 0.763) 8.547 8.567 ( 0.488 -4.024 -0.464) 4.080 8.632 ( -0.985 0.460 -3.479) 3.645 8.743 ( -1.995 0.288 -1.639) 2.598 8.972 ( 3.371 4.901 6.744) 8.993 9.077 ( 7.118 -5.179 -4.066) 9.696 9.137 ( 2.799 1.748 0.570) 3.349 9.310 ( 2.038 -1.584 4.512) 5.198 9.478 ( 10.108 1.280 1.069) 10.245 9.579 ( 7.496 0.031 1.621) 7.669 9.772 ( 2.690 -0.766 -6.171) 6.775 9.873 ( 4.864 -3.298 -1.521) 6.070 10.346 ( -0.913 4.959 1.270) 5.200 10.556 ( 4.844 -2.404 -2.033) 5.777 10.582 ( 0.458 2.354 -0.232) 2.409 10.928 ( 4.732 -9.012 1.998) 10.374 20.556 ( -1.150 1.865 -0.340) 2.217 20.615 ( -3.073 0.010 -1.622) 3.475 20.880 ( -2.486 1.836 -0.505) 3.131 20.902 ( -2.321 0.679 0.461) 2.462 22.809 ( -0.452 1.111 -1.051) 1.595 22.832 ( 0.969 0.617 0.608) 1.300 23.053 ( -0.927 0.097 -1.099) 1.441 23.108 ( 1.308 -1.595 1.563) 2.588 24.603 ( -1.723 -0.763 0.048) 1.885 24.643 ( -0.897 -2.688 0.195) 2.840 24.945 ( 1.615 2.160 1.006) 2.878 24.984 ( 1.485 0.429 1.141) 1.922 25.790 ( -5.522 1.327 0.040) 5.679 25.816 ( -4.819 0.440 -0.057) 4.840 26.079 ( -2.549 1.252 -0.403) 2.868 26.138 ( -5.016 -0.205 -1.003) 5.119 28.293 ( 0.981 -0.172 0.843) 1.305 28.297 ( 0.475 -0.212 0.633) 0.820 28.527 ( -0.567 1.488 -0.567) 1.690 28.601 ( -0.942 -0.957 -0.070) 1.344 28.628 ( -0.490 0.784 0.455) 1.030 28.687 ( 0.891 -1.496 1.191) 2.110 28.796 ( 1.279 -2.232 -0.803) 2.694 28.806 ( 1.953 -2.196 0.836) 3.055 32.332 ( 0.430 1.461 0.163) 1.532 32.407 ( -0.489 -1.704 1.097) 2.084 32.483 ( 0.234 1.857 0.290) 1.894 32.559 ( -0.790 -1.264 -0.327) 1.526 35.386 ( 1.001 1.012 0.773) 1.619 35.435 ( -0.373 -0.973 -0.088) 1.046 35.547 ( -0.246 1.460 -0.891) 1.728 35.576 ( 0.200 -0.035 -0.250) 0.322 88.748 ( 2.686 -0.883 -1.799) 3.351 88.762 ( 2.114 -1.219 -1.731) 2.992 89.045 ( 4.938 2.680 -0.206) 5.622 89.200 ( 4.893 -3.922 3.074) 6.983 97.648 ( 1.130 0.163 -0.304) 1.181 97.665 ( 1.535 -0.289 -0.144) 1.568 97.698 ( 1.899 -0.351 -1.113) 2.229 97.742 ( 2.471 -1.572 0.530) 2.976 98.693 ( 0.505 0.917 0.271) 1.081 98.713 ( 0.716 -0.000 0.862) 1.120 98.932 ( -3.657 4.238 -1.417) 5.774 99.011 ( -6.261 2.177 -3.325) 7.416 99.670 ( 0.091 3.171 0.721) 3.253 99.708 ( -1.911 0.548 -0.758) 2.128 99.861 ( 0.234 0.928 -2.966) 3.116 100.112 ( 4.760 -9.596 4.756) 11.720 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 12.922 7.624 5.067) 15.836 1.569 ( 6.177 3.706 10.880) 13.049 1.822 ( 5.187 -0.919 -2.145) 5.688 1.933 ( 6.028 2.321 1.911) 6.736 1.980 ( 2.949 4.296 -2.233) 5.669 2.050 ( 4.815 3.409 1.583) 6.108 2.117 ( -0.934 2.724 2.621) 3.894 2.196 ( 1.541 -6.629 3.126) 7.490 2.276 ( 1.197 2.514 -3.589) 4.543 2.347 ( -0.716 -0.748 3.504) 3.654 2.380 ( -3.592 -0.195 5.283) 6.392 2.468 ( -1.168 -1.259 2.266) 2.843 2.573 ( -0.718 0.781 3.175) 3.348 2.616 ( 2.040 6.053 5.695) 8.557 2.746 ( -5.180 -3.904 4.800) 8.069 2.841 ( -0.959 -4.030 0.883) 4.236 2.906 ( -1.467 2.775 3.407) 4.632 2.967 ( -1.031 0.746 -7.142) 7.255 3.021 ( -0.140 -2.512 -1.922) 3.166 3.127 ( -2.859 -1.122 -5.453) 6.259 3.200 ( -2.941 1.688 -5.002) 6.043 3.281 ( -2.161 -0.845 -1.935) 3.022 3.537 ( 1.399 4.976 -6.286) 8.138 3.625 ( 3.795 -0.152 -5.527) 6.706 4.353 ( -0.104 0.153 1.470) 1.481 4.397 ( -2.295 -1.712 -0.464) 2.900 4.518 ( -0.953 -4.217 -0.004) 4.324 4.551 ( -3.622 -3.691 -1.801) 5.476 4.767 ( -2.786 0.401 2.860) 4.013 4.965 ( 0.257 -3.675 1.317) 3.912 5.053 ( -0.031 0.891 -0.629) 1.091 5.104 ( 1.070 4.301 0.119) 4.433 5.179 ( -3.088 -0.529 -2.922) 4.284 5.278 ( -0.010 -3.220 -2.966) 4.378 5.328 ( -4.615 -3.300 -3.597) 6.718 5.424 ( -4.702 -7.217 -0.659) 8.639 5.563 ( -5.664 0.244 0.084) 5.670 5.584 ( -8.792 -0.396 1.240) 8.888 5.749 ( -10.507 2.921 3.227) 11.373 5.801 ( -4.328 1.575 1.279) 4.780 5.813 ( -0.945 1.652 -0.383) 1.941 5.954 ( 1.145 -4.316 0.781) 4.533 6.162 ( 2.174 0.731 1.226) 2.601 6.224 ( -5.141 -0.247 -7.164) 8.821 6.307 ( 0.054 2.311 -4.790) 5.318 6.432 ( 2.034 7.601 0.961) 7.927 6.559 ( -0.933 -3.515 -3.169) 4.824 6.693 ( -4.334 -5.564 -2.227) 7.396 6.883 ( -2.612 5.943 -0.861) 6.549 7.036 ( -6.105 0.802 2.088) 6.502 7.209 ( 1.377 -4.837 2.269) 5.517 7.376 ( 0.671 -3.580 3.005) 4.722 7.646 ( 1.988 9.089 1.430) 9.413 7.757 ( -4.042 5.454 7.471) 10.095 7.903 ( -3.704 2.326 1.842) 4.746 8.108 ( -0.575 7.836 0.009) 7.857 8.197 ( -5.521 -5.702 1.146) 8.019 8.542 ( 0.665 0.311 -3.777) 3.847 8.610 ( 0.466 -2.311 -2.049) 3.123 8.689 ( -2.136 -4.377 -0.783) 4.933 9.034 ( 0.187 7.829 1.293) 7.937 9.155 ( 5.085 0.527 -2.510) 5.695 9.234 ( 4.743 1.753 5.799) 7.694 9.388 ( 1.155 -0.152 4.161) 4.321 9.619 ( 4.236 -2.892 -0.123) 5.131 9.694 ( 4.261 -3.790 -1.476) 5.890 9.772 ( 6.242 4.073 -3.408) 8.195 9.939 ( 4.305 -3.284 -1.413) 5.596 10.366 ( 1.390 3.493 1.670) 4.113 10.539 ( -1.224 -3.134 -2.231) 4.037 10.628 ( 2.678 3.369 -0.201) 4.309 11.025 ( 4.038 -10.745 1.910) 11.637 20.536 ( -0.726 1.323 -0.183) 1.521 20.563 ( -1.663 0.602 -0.841) 1.959 20.835 ( -2.220 1.760 -0.202) 2.840 20.871 ( -1.843 0.174 0.280) 1.872 22.772 ( -1.190 1.829 -1.993) 2.955 22.854 ( 0.610 -1.143 -0.001) 1.296 23.035 ( -0.227 1.646 -0.090) 1.664 23.156 ( 1.671 -2.859 2.079) 3.910 24.575 ( -1.488 -0.627 -0.112) 1.619 24.630 ( -0.894 -3.342 0.131) 3.462 24.984 ( 1.731 2.408 1.041) 3.143 25.017 ( 1.162 1.020 0.686) 1.692 25.705 ( -4.341 1.555 -0.142) 4.613 25.734 ( -4.575 0.567 -0.053) 4.610 26.034 ( -2.335 0.374 -0.169) 2.371 26.061 ( -3.477 -0.266 -0.225) 3.494 28.310 ( 0.634 0.108 0.395) 0.754 28.323 ( 1.402 -0.530 0.446) 1.564 28.511 ( -0.633 1.889 -0.575) 2.074 28.586 ( -0.926 -1.000 0.260) 1.387 28.625 ( -0.343 0.914 0.194) 0.996 28.705 ( 0.140 -1.167 0.989) 1.536 28.781 ( -0.579 -0.428 -1.284) 1.472 28.856 ( 1.817 -3.720 0.699) 4.199 32.343 ( 0.744 0.959 0.102) 1.218 32.401 ( -1.244 -1.511 0.668) 2.068 32.492 ( 0.590 1.619 0.222) 1.737 32.543 ( -0.733 -0.520 -0.283) 0.942 35.412 ( 1.013 0.442 0.761) 1.342 35.432 ( 0.103 -0.477 -0.111) 0.501 35.535 ( -0.226 1.586 -0.514) 1.682 35.578 ( 0.300 -0.417 -0.184) 0.545 88.767 ( 1.303 -0.819 -0.707) 1.693 88.782 ( 2.364 -1.556 -1.868) 3.391 89.123 ( 4.119 3.140 0.143) 5.181 89.308 ( 3.790 -4.784 2.949) 6.779 97.664 ( 1.101 0.095 -0.117) 1.112 97.685 ( 1.232 -0.605 -0.592) 1.495 97.715 ( 1.308 0.350 -0.707) 1.527 97.791 ( 2.347 -2.480 0.824) 3.512 98.705 ( 0.765 1.137 -0.069) 1.372 98.735 ( 0.925 0.014 0.650) 1.131 98.863 ( -3.146 3.167 -0.570) 4.500 98.898 ( -4.355 1.991 -1.600) 5.049 99.647 ( -2.151 1.106 -1.187) 2.694 99.679 ( -0.415 0.118 -0.983) 1.073 99.850 ( 0.986 5.424 -1.010) 5.604 100.211 ( 2.544 -9.603 2.761) 10.311 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 7.178 4.790 3.369) 9.264 1.708 ( 1.742 -0.695 4.260) 4.654 1.899 ( 4.260 4.414 -3.112) 6.879 1.965 ( -1.304 0.987 -1.163) 2.007 2.015 ( 1.910 7.820 0.115) 8.051 2.077 ( 2.709 2.461 1.710) 4.040 2.164 ( -2.607 3.409 0.001) 4.292 2.207 ( -2.234 -2.993 -0.278) 3.745 2.279 ( 6.310 -0.674 0.224) 6.350 2.348 ( -0.702 -0.327 0.290) 0.827 2.417 ( -2.854 -1.709 4.193) 5.352 2.460 ( -0.639 -0.477 1.059) 1.326 2.584 ( -1.795 -0.125 2.212) 2.851 2.714 ( 1.719 4.492 6.008) 7.696 2.718 ( -1.449 -4.440 1.394) 4.874 2.832 ( -2.131 0.444 3.342) 3.988 2.882 ( 0.402 -0.417 -5.052) 5.085 2.980 ( -0.090 -2.687 -0.749) 2.791 3.020 ( 2.742 -0.666 0.136) 2.825 3.051 ( 1.017 -1.099 -1.573) 2.172 3.112 ( -1.270 1.649 -2.339) 3.131 3.195 ( -4.159 -1.203 -3.995) 5.891 3.498 ( -0.039 6.401 -2.221) 6.776 3.623 ( 1.298 -1.167 -2.474) 3.028 4.336 ( -1.648 -1.741 0.269) 2.412 4.401 ( 1.750 -0.827 0.309) 1.960 4.468 ( -2.608 -4.677 -0.667) 5.396 4.524 ( -0.229 -3.532 0.015) 3.540 4.775 ( 0.083 2.413 1.681) 2.943 5.007 ( 2.256 -1.199 0.834) 2.688 5.039 ( 0.327 -1.512 -1.550) 2.190 5.078 ( -4.521 2.507 -2.062) 5.566 5.113 ( -1.407 2.000 1.724) 2.992 5.235 ( -0.962 -6.479 -1.314) 6.680 5.268 ( -0.368 -2.478 -2.029) 3.224 5.353 ( -1.543 -7.917 -0.398) 8.076 5.463 ( -2.466 -0.477 -1.097) 2.741 5.477 ( -5.075 -1.632 0.624) 5.367 5.654 ( -1.762 0.888 0.522) 2.041 5.722 ( -5.860 -1.940 0.051) 6.173 5.802 ( 0.067 3.843 -0.775) 3.921 6.006 ( 4.009 -1.827 1.278) 4.588 6.110 ( -4.036 3.809 -1.478) 5.743 6.238 ( 0.304 -2.291 -0.852) 2.463 6.286 ( 3.641 -0.552 3.493) 5.076 6.471 ( 0.237 -0.448 -3.953) 3.985 6.501 ( -0.945 3.527 -2.360) 4.347 6.600 ( -2.328 -2.081 0.260) 3.133 6.878 ( 0.613 7.207 1.015) 7.304 6.943 ( -4.495 1.433 -0.684) 4.767 7.251 ( 0.834 -3.189 1.091) 3.472 7.418 ( 0.578 -0.232 1.969) 2.066 7.721 ( 3.183 6.271 1.647) 7.223 7.757 ( -1.934 5.605 1.961) 6.245 7.876 ( -1.241 2.077 1.019) 2.625 8.104 ( 0.280 6.320 -0.502) 6.346 8.120 ( -3.957 -5.011 0.648) 6.417 8.536 ( 1.751 1.783 -1.359) 2.844 8.584 ( -1.241 -2.425 -1.153) 2.958 8.657 ( -0.911 -5.813 -0.369) 5.896 9.038 ( -0.065 9.699 0.041) 9.699 9.200 ( 2.538 1.987 -1.235) 3.452 9.360 ( 1.579 1.187 5.914) 6.236 9.428 ( 0.565 4.803 0.771) 4.897 9.604 ( -0.160 -8.331 -3.980) 9.234 9.742 ( 2.194 -4.979 -0.332) 5.451 9.848 ( 2.957 4.154 -0.153) 5.101 9.976 ( 1.257 -2.724 -0.217) 3.008 10.421 ( 2.715 1.134 1.717) 3.407 10.486 ( -2.357 -1.003 -1.908) 3.195 10.655 ( 0.807 3.322 -0.109) 3.420 11.089 ( 1.576 -11.715 0.827) 11.849 20.529 ( 0.024 1.005 0.005) 1.005 20.538 ( -0.755 0.768 -0.314) 1.122 20.807 ( -0.877 1.647 -0.053) 1.867 20.851 ( -0.720 -0.152 0.101) 0.743 22.740 ( -0.540 2.068 -0.845) 2.299 22.854 ( -0.015 -2.523 -0.398) 2.555 23.039 ( 0.175 2.848 0.344) 2.874 23.194 ( 0.748 -3.478 0.900) 3.670 24.556 ( -0.583 -0.518 -0.066) 0.782 24.619 ( -0.385 -3.674 0.033) 3.694 25.019 ( 1.094 2.345 0.685) 2.677 25.033 ( 0.144 1.609 -0.012) 1.615 25.653 ( -1.567 1.673 -0.140) 2.297 25.677 ( -1.980 0.714 0.019) 2.105 26.005 ( -0.950 -0.125 -0.023) 0.959 26.019 ( -1.281 -0.500 -0.033) 1.376 28.322 ( 0.370 0.262 0.113) 0.467 28.344 ( 0.640 -0.781 0.172) 1.024 28.498 ( -0.269 1.969 -0.242) 2.002 28.576 ( -0.413 -1.513 0.134) 1.574 28.622 ( -0.144 1.116 0.036) 1.126 28.719 ( 0.257 -1.817 0.959) 2.071 28.756 ( -0.618 1.432 -1.136) 1.930 28.880 ( 0.549 -3.741 0.252) 3.789 32.358 ( 0.890 0.229 -0.023) 0.919 32.384 ( -1.167 -0.936 0.263) 1.518 32.505 ( 0.595 1.209 0.175) 1.359 32.529 ( -0.583 0.173 -0.199) 0.640 35.430 ( 0.355 -0.041 0.334) 0.489 35.434 ( 0.204 -0.180 -0.067) 0.281 35.529 ( -0.108 1.682 -0.179) 1.695 35.581 ( 0.119 -0.600 -0.056) 0.614 88.777 ( 0.475 -0.733 -0.250) 0.909 88.796 ( 0.885 -1.647 -0.679) 1.989 89.174 ( 1.607 3.274 0.132) 3.650 89.375 ( 1.373 -5.293 1.233) 5.605 97.679 ( 0.546 -0.171 0.227) 0.615 97.691 ( 0.302 -0.664 -0.676) 0.995 97.726 ( 0.512 1.035 -0.103) 1.159 97.828 ( 1.002 -3.196 0.407) 3.374 98.716 ( 0.533 1.312 -0.152) 1.424 98.756 ( 0.869 0.020 0.245) 0.903 98.821 ( -1.276 2.303 -0.042) 2.634 98.831 ( -2.177 1.847 -0.464) 2.893 99.607 ( -0.997 1.012 -0.719) 1.592 99.664 ( -0.172 -1.079 -0.629) 1.261 99.860 ( 0.498 7.787 -0.041) 7.803 100.258 ( 0.812 -9.245 0.915) 9.325 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 -13.856 0.000) 13.856 1.223 ( 0.000 13.856 0.000) 13.856 1.455 ( 0.000 -20.370 0.000) 20.370 1.455 ( 0.000 20.370 0.000) 20.370 2.006 ( 0.000 -2.862 0.000) 2.862 2.006 ( 0.000 2.862 0.000) 2.862 2.121 ( 0.000 -8.635 0.000) 8.635 2.121 ( 0.000 8.635 0.000) 8.635 2.191 ( 0.000 -1.273 0.000) 1.273 2.191 ( 0.000 1.273 0.000) 1.273 2.437 ( 0.000 -2.613 0.000) 2.613 2.437 ( 0.000 2.613 0.000) 2.613 2.560 ( 0.000 -6.705 0.000) 6.705 2.560 ( 0.000 6.705 0.000) 6.705 2.747 ( 0.000 -5.291 0.000) 5.291 2.747 ( 0.000 5.291 0.000) 5.291 3.031 ( 0.000 -5.460 0.000) 5.460 3.031 ( 0.000 5.460 0.000) 5.460 3.277 ( 0.000 -1.320 0.000) 1.320 3.277 ( 0.000 1.320 0.000) 1.320 3.475 ( 0.000 -5.766 0.000) 5.766 3.475 ( 0.000 5.766 0.000) 5.766 3.551 ( 0.000 -2.604 0.000) 2.604 3.551 ( 0.000 2.604 0.000) 2.604 4.307 ( 0.000 -1.030 0.000) 1.030 4.307 ( 0.000 1.030 0.000) 1.030 4.697 ( 0.000 -0.809 0.000) 0.809 4.697 ( 0.000 0.809 0.000) 0.809 4.989 ( 0.000 -5.083 0.000) 5.083 4.989 ( 0.000 5.083 0.000) 5.083 5.181 ( 0.000 -2.075 0.000) 2.075 5.181 ( 0.000 2.075 0.000) 2.075 5.323 ( 0.000 -0.636 0.000) 0.636 5.323 ( 0.000 0.636 0.000) 0.636 5.432 ( 0.000 -0.824 0.000) 0.824 5.432 ( 0.000 0.824 0.000) 0.824 5.507 ( 0.000 -0.002 0.000) 0.002 5.507 ( 0.000 0.002 0.000) 0.002 5.853 ( 0.000 -0.199 0.000) 0.199 5.853 ( 0.000 0.199 0.000) 0.199 6.017 ( 0.000 -2.926 0.000) 2.926 6.017 ( 0.000 2.926 0.000) 2.926 6.278 ( 0.000 -2.986 0.000) 2.986 6.278 ( 0.000 2.986 0.000) 2.986 6.393 ( 0.000 -0.091 0.000) 0.091 6.393 ( 0.000 0.091 0.000) 0.091 6.983 ( 0.000 -2.078 0.000) 2.078 6.983 ( 0.000 2.078 0.000) 2.078 7.167 ( 0.000 -3.438 0.000) 3.438 7.167 ( 0.000 3.438 0.000) 3.438 7.371 ( 0.000 -9.902 0.000) 9.902 7.371 ( 0.000 9.902 0.000) 9.902 7.687 ( 0.000 -4.768 0.000) 4.768 7.687 ( 0.000 4.768 0.000) 4.768 8.217 ( 0.000 -10.256 0.000) 10.256 8.217 ( 0.000 10.256 0.000) 10.256 8.400 ( 0.000 -0.785 0.000) 0.785 8.400 ( 0.000 0.785 0.000) 0.785 8.689 ( 0.000 -0.681 0.000) 0.681 8.689 ( 0.000 0.681 0.000) 0.681 8.857 ( 0.000 -5.212 0.000) 5.212 8.857 ( 0.000 5.212 0.000) 5.212 9.137 ( 0.000 -6.519 0.000) 6.519 9.137 ( 0.000 6.519 0.000) 6.519 9.349 ( 0.000 -1.875 0.000) 1.875 9.349 ( 0.000 1.875 0.000) 1.875 9.778 ( 0.000 -0.067 0.000) 0.067 9.778 ( 0.000 0.067 0.000) 0.067 10.431 ( 0.000 -0.927 0.000) 0.927 10.431 ( 0.000 0.927 0.000) 0.927 10.658 ( 0.000 -6.168 0.000) 6.168 10.658 ( 0.000 6.168 0.000) 6.168 20.657 ( 0.000 -3.622 0.000) 3.622 20.657 ( 0.000 3.622 0.000) 3.622 20.956 ( 0.000 -0.845 0.000) 0.845 20.956 ( 0.000 0.845 0.000) 0.845 22.810 ( 0.000 -1.575 0.000) 1.575 22.810 ( 0.000 1.575 0.000) 1.575 23.087 ( 0.000 -1.052 0.000) 1.052 23.087 ( 0.000 1.052 0.000) 1.052 24.634 ( 0.000 -0.488 0.000) 0.488 24.634 ( 0.000 0.488 0.000) 0.488 24.927 ( 0.000 -0.583 0.000) 0.583 24.927 ( 0.000 0.583 0.000) 0.583 25.916 ( 0.000 -0.125 0.000) 0.125 25.916 ( 0.000 0.125 0.000) 0.125 26.211 ( 0.000 -4.289 0.000) 4.289 26.211 ( 0.000 4.289 0.000) 4.289 28.269 ( 0.000 -0.184 0.000) 0.184 28.269 ( 0.000 0.184 0.000) 0.184 28.551 ( 0.000 -0.299 0.000) 0.299 28.551 ( 0.000 0.299 0.000) 0.299 28.644 ( 0.000 -0.626 0.000) 0.626 28.644 ( 0.000 0.626 0.000) 0.626 28.755 ( 0.000 -2.652 0.000) 2.652 28.755 ( 0.000 2.652 0.000) 2.652 32.358 ( 0.000 -1.487 0.000) 1.487 32.358 ( 0.000 1.487 0.000) 1.487 32.529 ( 0.000 -2.609 0.000) 2.609 32.529 ( 0.000 2.609 0.000) 2.609 35.401 ( 0.000 -2.357 0.000) 2.357 35.401 ( 0.000 2.357 0.000) 2.357 35.583 ( 0.000 -0.866 0.000) 0.866 35.583 ( 0.000 0.866 0.000) 0.866 88.726 ( 0.000 -1.144 0.000) 1.144 88.726 ( 0.000 1.144 0.000) 1.144 88.994 ( 0.000 -2.608 0.000) 2.608 88.994 ( 0.000 2.608 0.000) 2.608 97.635 ( 0.000 -0.195 0.000) 0.195 97.635 ( 0.000 0.195 0.000) 0.195 97.672 ( 0.000 -0.321 0.000) 0.321 97.672 ( 0.000 0.321 0.000) 0.321 98.688 ( 0.000 -0.178 0.000) 0.178 98.688 ( 0.000 0.178 0.000) 0.178 99.166 ( 0.000 -6.472 0.000) 6.472 99.166 ( 0.000 6.472 0.000) 6.472 99.712 ( 0.000 -1.329 0.000) 1.329 99.712 ( 0.000 1.329 0.000) 1.329 99.854 ( 0.000 -3.093 0.000) 3.093 99.854 ( 0.000 3.093 0.000) 3.093 ======================= Grid point 29 (17/92) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.818 -5.563 7.547) 9.411 1.282 ( 0.818 5.563 7.547) 9.411 1.487 ( 4.200 -12.757 1.670) 13.534 1.487 ( 4.200 12.757 1.670) 13.534 1.999 ( 0.215 -5.087 -1.641) 5.349 1.999 ( 0.215 5.087 -1.641) 5.349 2.112 ( 0.662 -8.483 -0.437) 8.520 2.112 ( 0.662 8.483 -0.437) 8.520 2.219 ( 4.878 -1.409 -2.396) 5.614 2.219 ( 4.878 1.409 -2.396) 5.614 2.483 ( -0.281 -2.991 2.427) 3.862 2.483 ( -0.281 2.991 2.427) 3.862 2.572 ( 0.971 -8.278 3.465) 9.027 2.572 ( 0.971 8.278 3.465) 9.027 2.715 ( -2.853 -3.985 0.578) 4.935 2.715 ( -2.853 3.985 0.578) 4.935 3.025 ( -2.228 -4.478 1.710) 5.286 3.025 ( -2.228 4.478 1.710) 5.286 3.246 ( -1.097 -2.107 -3.999) 4.651 3.246 ( -1.097 2.107 -3.999) 4.651 3.430 ( -4.856 -3.873 -0.354) 6.221 3.430 ( -4.856 3.873 -0.354) 6.221 3.570 ( 4.908 -1.002 -4.349) 6.634 3.570 ( 4.908 1.002 -4.349) 6.634 4.324 ( 1.017 -1.859 1.320) 2.497 4.324 ( 1.017 1.859 1.320) 2.497 4.645 ( -3.302 -1.509 -2.649) 4.494 4.645 ( -3.302 1.510 -2.649) 4.494 4.989 ( -6.216 -4.320 5.169) 9.167 4.989 ( -6.216 4.320 5.169) 9.167 5.156 ( 0.410 -2.882 -1.118) 3.118 5.156 ( 0.410 2.882 -1.118) 3.118 5.238 ( -4.139 -1.308 -3.353) 5.485 5.238 ( -4.139 1.308 -3.353) 5.485 5.464 ( 2.500 -1.892 -2.146) 3.800 5.464 ( 2.500 1.892 -2.146) 3.800 5.560 ( 2.378 -1.510 2.828) 3.992 5.560 ( 2.378 1.510 2.828) 3.992 5.842 ( -2.618 -1.493 2.580) 3.967 5.842 ( -2.618 1.493 2.580) 3.967 6.021 ( -2.069 -4.409 2.783) 5.609 6.021 ( -2.069 4.409 2.783) 5.609 6.294 ( 2.529 -1.870 -1.826) 3.637 6.294 ( 2.529 1.870 -1.826) 3.637 6.422 ( 3.359 -3.575 -0.143) 4.907 6.422 ( 3.359 3.575 -0.143) 4.907 6.887 ( -11.221 -9.707 -5.783) 15.924 6.887 ( -11.221 9.707 -5.783) 15.924 7.068 ( -3.251 -3.576 -2.330) 5.365 7.068 ( -3.251 3.576 -2.330) 5.365 7.313 ( -4.447 -3.874 -1.970) 6.218 7.313 ( -4.447 3.874 -1.970) 6.218 7.732 ( -2.820 -3.294 10.034) 10.931 7.732 ( -2.820 3.294 10.034) 10.931 8.169 ( -4.663 -8.312 -1.433) 9.637 8.169 ( -4.663 8.312 -1.433) 9.637 8.390 ( 0.978 -8.086 -1.685) 8.318 8.390 ( 0.978 8.086 -1.685) 8.318 8.751 ( 1.203 -1.736 1.241) 2.450 8.751 ( 1.203 1.736 1.241) 2.450 8.884 ( 5.220 -5.674 -0.128) 7.711 8.884 ( 5.220 5.674 -0.128) 7.711 9.140 ( 2.182 -4.309 0.278) 4.838 9.140 ( 2.182 4.309 0.278) 4.838 9.410 ( 5.686 -3.045 1.081) 6.540 9.410 ( 5.686 3.045 1.081) 6.540 9.781 ( 1.665 -1.264 -1.661) 2.670 9.781 ( 1.665 1.264 -1.661) 2.670 10.446 ( 1.670 -3.075 -0.786) 3.586 10.446 ( 1.670 3.075 -0.786) 3.586 10.676 ( 1.735 -7.282 0.746) 7.523 10.676 ( 1.735 7.282 0.746) 7.523 20.637 ( -1.740 -2.880 -0.792) 3.456 20.637 ( -1.740 2.880 -0.792) 3.456 20.942 ( -1.694 -0.596 -0.004) 1.795 20.942 ( -1.694 0.596 -0.004) 1.795 22.820 ( 0.649 -1.209 0.456) 1.446 22.820 ( 0.649 1.209 0.456) 1.446 23.079 ( -0.510 -0.813 -0.432) 1.053 23.079 ( -0.510 0.813 -0.432) 1.053 24.625 ( -0.954 -0.638 -0.057) 1.149 24.625 ( -0.954 0.638 -0.057) 1.149 24.942 ( 1.241 -0.802 0.773) 1.667 24.942 ( 1.241 0.802 0.773) 1.667 25.887 ( -3.377 -0.310 0.027) 3.391 25.887 ( -3.377 0.310 0.027) 3.391 26.180 ( -2.866 -3.257 -0.867) 4.424 26.180 ( -2.866 3.257 -0.867) 4.424 28.276 ( 0.309 -0.336 0.714) 0.848 28.276 ( 0.309 0.336 0.714) 0.848 28.561 ( 0.907 -1.287 -0.110) 1.578 28.561 ( 0.907 1.287 -0.110) 1.578 28.645 ( -0.289 -0.273 0.888) 0.973 28.645 ( -0.289 0.273 0.888) 0.973 28.761 ( 0.976 -1.983 -0.342) 2.237 28.761 ( 0.976 1.983 -0.342) 2.237 32.362 ( 0.062 -1.684 0.521) 1.764 32.362 ( 0.062 1.684 0.521) 1.764 32.527 ( -0.113 -2.400 -0.097) 2.405 32.527 ( -0.113 2.400 -0.097) 2.405 35.403 ( 0.133 -1.994 0.179) 2.006 35.403 ( 0.133 1.994 0.179) 2.006 35.578 ( -0.198 -0.643 -0.464) 0.817 35.578 ( -0.198 0.643 -0.464) 0.817 88.730 ( 1.070 -0.848 -0.834) 1.600 88.730 ( 1.070 0.848 -0.834) 1.600 89.030 ( 3.647 -2.994 0.690) 4.769 89.030 ( 3.647 2.994 0.690) 4.769 97.640 ( 0.753 -0.248 -0.261) 0.834 97.640 ( 0.753 0.248 -0.261) 0.834 97.684 ( 1.309 -0.649 -0.012) 1.461 97.684 ( 1.309 0.649 -0.012) 1.461 98.694 ( 0.374 -0.238 0.527) 0.689 98.694 ( 0.374 0.238 0.527) 0.689 99.112 ( -4.164 -4.636 -2.460) 6.699 99.112 ( -4.164 4.636 -2.460) 6.699 99.726 ( 0.009 -2.243 0.945) 2.435 99.726 ( 0.009 2.243 0.945) 2.435 99.872 ( 2.203 -1.651 0.571) 2.811 99.872 ( 2.203 1.651 0.571) 2.811 ======================= Grid point 31 (18/92) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.660 -9.113 5.423) 10.933 1.375 ( 2.660 9.113 5.423) 10.933 1.656 ( 8.916 -3.927 7.943) 12.570 1.656 ( 8.916 3.927 7.943) 12.570 2.007 ( 2.265 -4.742 0.316) 5.265 2.007 ( 2.265 4.742 0.316) 5.265 2.128 ( 2.935 -5.358 -2.929) 6.775 2.128 ( 2.935 5.358 -2.929) 6.775 2.297 ( 2.417 -2.523 4.029) 5.333 2.297 ( 2.417 2.523 4.029) 5.333 2.438 ( -3.213 -3.772 -2.069) 5.369 2.438 ( -3.213 3.772 -2.069) 5.369 2.610 ( -0.619 -2.182 0.035) 2.269 2.610 ( -0.619 2.182 0.035) 2.269 2.730 ( -0.420 -3.918 6.860) 7.911 2.730 ( -0.420 3.918 6.860) 7.911 2.990 ( -3.124 -3.390 0.694) 4.662 2.990 ( -3.124 3.390 0.694) 4.662 3.161 ( -1.981 -4.032 -6.535) 7.930 3.161 ( -1.981 4.032 -6.535) 7.930 3.331 ( -5.085 -1.216 -1.465) 5.430 3.331 ( -5.085 1.216 -1.465) 5.430 3.605 ( 5.355 -0.698 -5.980) 8.058 3.605 ( 5.355 0.698 -5.980) 8.058 4.358 ( 0.569 -2.628 1.873) 3.277 4.358 ( 0.569 2.628 1.873) 3.277 4.559 ( -3.429 -3.034 -2.675) 5.302 4.559 ( -3.429 3.034 -2.675) 5.302 4.887 ( -8.476 -4.806 2.990) 10.193 4.887 ( -8.476 4.806 2.990) 10.193 5.153 ( -0.484 -4.618 -1.889) 5.013 5.153 ( -0.484 4.618 -1.889) 5.013 5.199 ( 1.241 -5.759 -0.044) 5.892 5.199 ( 1.241 5.759 -0.044) 5.892 5.422 ( -3.531 -1.472 -3.277) 5.037 5.422 ( -3.531 1.472 -3.277) 5.037 5.623 ( 0.025 -2.820 3.476) 4.476 5.623 ( 0.025 2.820 3.476) 4.476 5.828 ( -0.433 -1.680 0.124) 1.739 5.828 ( -0.433 1.680 0.124) 1.739 5.962 ( -10.412 -2.336 4.888) 11.737 5.962 ( -10.412 2.336 4.888) 11.737 6.307 ( 1.402 -2.241 -6.022) 6.577 6.307 ( 1.402 2.241 -6.022) 6.577 6.446 ( 0.051 -9.626 -3.861) 10.372 6.446 ( 0.051 9.626 -3.861) 10.372 6.630 ( -7.138 -5.461 -2.038) 9.216 6.630 ( -7.138 5.461 -2.038) 9.216 7.032 ( -2.798 -2.435 1.542) 4.017 7.032 ( -2.798 2.435 1.542) 4.017 7.227 ( -3.132 -6.020 0.443) 6.801 7.227 ( -3.132 6.020 0.443) 6.801 7.780 ( -3.652 -2.147 8.973) 9.923 7.780 ( -3.652 2.147 8.973) 9.923 8.065 ( -3.346 -8.230 -4.123) 9.794 8.065 ( -3.346 8.230 -4.123) 9.794 8.397 ( -0.286 -11.334 0.997) 11.382 8.397 ( -0.286 11.334 0.997) 11.382 8.688 ( -2.680 -3.787 -5.023) 6.838 8.688 ( -2.680 3.787 -5.023) 6.838 9.037 ( 7.455 -1.286 4.409) 8.756 9.037 ( 7.455 1.286 4.409) 8.756 9.213 ( 3.575 -5.575 2.221) 6.985 9.213 ( 3.575 5.575 2.221) 6.985 9.532 ( 6.662 -3.407 0.900) 7.536 9.532 ( 6.662 3.407 0.900) 7.536 9.806 ( 4.401 -2.929 -2.872) 6.016 9.806 ( 4.401 2.929 -2.872) 6.016 10.454 ( 0.710 -5.020 -1.310) 5.237 10.454 ( 0.710 5.020 -1.310) 5.237 10.728 ( 3.177 -8.905 0.940) 9.501 10.728 ( 3.177 8.905 0.940) 9.501 20.595 ( -1.983 -1.593 -0.821) 2.672 20.595 ( -1.983 1.593 -0.821) 2.672 20.905 ( -2.533 -0.506 0.025) 2.583 20.905 ( -2.533 0.506 0.025) 2.583 22.830 ( 0.282 -0.709 -0.440) 0.880 22.830 ( 0.282 0.709 -0.440) 0.880 23.072 ( -0.076 -1.521 0.427) 1.581 23.072 ( -0.076 1.521 0.427) 1.581 24.604 ( -1.416 -0.931 -0.089) 1.697 24.604 ( -1.416 0.931 -0.089) 1.697 24.979 ( 1.836 -0.961 1.079) 2.336 24.979 ( 1.836 0.961 1.079) 2.336 25.814 ( -5.020 -0.688 -0.062) 5.068 25.814 ( -5.020 0.688 -0.062) 5.068 26.113 ( -3.795 -1.682 -0.777) 4.224 26.113 ( -3.795 1.682 -0.777) 4.224 28.293 ( 0.762 -0.128 0.719) 1.055 28.293 ( 0.762 0.128 0.719) 1.055 28.565 ( -0.007 -1.943 -0.615) 2.038 28.565 ( -0.007 1.943 -0.615) 2.038 28.654 ( -0.212 -1.469 1.357) 2.011 28.654 ( -0.212 1.469 1.357) 2.011 28.778 ( 1.381 -0.558 -0.311) 1.521 28.778 ( 1.381 0.558 -0.311) 1.521 32.368 ( -0.153 -1.803 0.611) 1.910 32.368 ( -0.153 1.803 0.611) 1.910 32.525 ( -0.034 -1.895 -0.120) 1.899 32.525 ( -0.034 1.895 -0.120) 1.899 35.410 ( 0.413 -1.221 0.297) 1.323 35.410 ( 0.413 1.221 0.297) 1.323 35.569 ( -0.130 -0.646 -0.525) 0.843 35.569 ( -0.130 0.646 -0.525) 0.843 88.744 ( 1.746 -0.392 -1.123) 2.112 88.744 ( 1.746 0.392 -1.123) 2.112 89.115 ( 4.985 -3.770 1.176) 6.360 89.115 ( 4.985 3.770 1.176) 6.360 97.655 ( 1.360 -0.473 -0.431) 1.503 97.655 ( 1.360 0.473 -0.431) 1.503 97.711 ( 1.770 -1.214 0.081) 2.148 97.711 ( 1.770 1.214 0.081) 2.148 98.709 ( 0.665 -0.457 0.594) 1.002 98.709 ( 0.665 0.457 0.594) 1.002 99.005 ( -5.061 -2.243 -2.319) 6.002 99.005 ( -5.061 2.243 -2.319) 6.002 99.712 ( -1.436 -0.497 -1.085) 1.867 99.712 ( -1.436 0.497 -1.085) 1.867 99.937 ( 3.333 -6.311 2.042) 7.424 99.937 ( 3.333 6.311 2.042) 7.424 ======================= Grid point 33 (19/92) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 6.007 -7.993 4.867) 11.120 1.502 ( 6.007 7.993 4.867) 11.120 1.889 ( 8.870 -5.234 5.058) 11.475 1.889 ( 8.870 5.234 5.058) 11.475 2.074 ( 2.042 -4.497 3.188) 5.878 2.074 ( 2.042 4.497 3.188) 5.878 2.144 ( 3.646 -2.645 -3.713) 5.837 2.144 ( 3.646 2.645 -3.713) 5.837 2.304 ( -4.372 -2.038 1.862) 5.171 2.304 ( -4.372 2.038 1.862) 5.171 2.418 ( -1.152 -2.977 4.008) 5.124 2.418 ( -1.152 2.977 4.008) 5.124 2.612 ( 0.631 -3.857 1.489) 4.182 2.612 ( 0.631 3.857 1.489) 4.182 2.768 ( -1.830 -4.491 3.869) 6.204 2.768 ( -1.830 4.491 3.869) 6.204 2.954 ( -1.342 -1.949 0.148) 2.370 2.954 ( -1.342 1.949 0.148) 2.370 3.058 ( -1.675 -4.897 -6.421) 8.246 3.058 ( -1.675 4.897 -6.421) 8.246 3.244 ( -2.948 -2.224 -2.858) 4.669 3.244 ( -2.948 2.224 -2.858) 4.669 3.611 ( 2.753 -1.773 -5.533) 6.430 3.611 ( 2.753 1.773 -5.533) 6.430 4.371 ( -1.081 -1.445 0.942) 2.035 4.371 ( -1.081 1.445 0.942) 2.035 4.481 ( -2.771 -1.743 -1.480) 3.593 4.481 ( -2.771 1.743 -1.480) 3.593 4.832 ( -2.298 -5.501 4.018) 7.190 4.832 ( -2.298 5.501 4.018) 7.190 5.133 ( 0.410 -4.295 -2.408) 4.941 5.133 ( 0.410 4.295 -2.408) 4.941 5.205 ( 0.538 -3.881 -1.851) 4.333 5.205 ( 0.538 3.881 -1.851) 4.333 5.304 ( -6.158 -1.897 -2.603) 6.949 5.304 ( -6.158 1.897 -2.603) 6.949 5.576 ( -8.485 -0.574 1.039) 8.568 5.576 ( -8.485 0.574 1.039) 8.568 5.809 ( -9.311 -1.419 0.992) 9.471 5.809 ( -9.311 1.419 0.992) 9.471 5.861 ( 2.240 -3.526 1.031) 4.303 5.861 ( 2.240 3.526 1.031) 4.303 6.188 ( -2.946 -1.789 -4.069) 5.332 6.188 ( -2.946 1.789 -4.069) 5.332 6.436 ( 1.820 -7.421 -3.863) 8.562 6.436 ( 1.820 7.421 -3.863) 8.562 6.574 ( -2.196 -5.396 0.583) 5.854 6.574 ( -2.196 5.396 0.583) 5.854 6.990 ( -3.174 -4.955 0.902) 5.953 6.990 ( -3.174 4.955 0.902) 5.953 7.247 ( 1.286 -6.811 4.374) 8.196 7.247 ( 1.286 6.811 4.374) 8.196 7.805 ( -2.244 -2.505 5.327) 6.300 7.805 ( -2.244 2.505 5.327) 6.300 7.985 ( -1.755 -8.202 -2.941) 8.888 7.985 ( -1.755 8.202 -2.941) 8.888 8.388 ( -2.151 -12.631 1.006) 12.852 8.388 ( -2.151 12.631 1.006) 12.852 8.618 ( 0.557 -2.462 -4.513) 5.171 8.618 ( 0.557 2.462 -4.513) 5.171 9.186 ( 5.106 -5.693 3.217) 8.297 9.186 ( 5.106 5.693 3.217) 8.297 9.281 ( 1.519 -8.116 2.954) 8.769 9.281 ( 1.519 8.116 2.954) 8.769 9.614 ( 2.793 -2.513 -0.908) 3.865 9.614 ( 2.793 2.513 -0.908) 3.865 9.867 ( 5.440 -3.834 -1.783) 6.890 9.867 ( 5.440 3.834 -1.783) 6.890 10.450 ( 0.551 -4.273 -1.135) 4.456 10.450 ( 0.551 4.273 -1.135) 4.456 10.789 ( 2.716 -10.354 0.833) 10.736 10.789 ( 2.716 10.354 0.833) 10.736 20.560 ( -1.247 -0.754 -0.470) 1.531 20.560 ( -1.247 0.754 -0.470) 1.531 20.865 ( -2.223 -0.842 0.046) 2.377 20.865 ( -2.223 0.842 0.046) 2.377 22.816 ( -0.551 -2.145 -1.453) 2.649 22.816 ( -0.551 2.145 -1.453) 2.649 23.089 ( 0.746 -3.107 1.415) 3.494 23.089 ( 0.746 3.107 1.415) 3.494 24.580 ( -1.251 -1.246 -0.098) 1.768 24.580 ( -1.251 1.246 -0.098) 1.768 25.020 ( 1.677 -0.817 0.903) 2.073 25.020 ( 1.677 0.817 0.903) 2.073 25.732 ( -4.309 -0.787 -0.141) 4.382 25.732 ( -4.309 0.787 -0.141) 4.382 26.048 ( -3.111 -0.784 -0.370) 3.230 26.048 ( -3.111 0.784 -0.370) 3.230 28.314 ( 0.964 -0.270 0.444) 1.095 28.314 ( 0.964 0.270 0.444) 1.095 28.553 ( -0.544 -1.896 -0.609) 2.064 28.553 ( -0.544 1.896 -0.609) 2.064 28.662 ( -0.330 -2.312 0.891) 2.500 28.662 ( -0.330 2.312 0.891) 2.500 28.797 ( 0.986 -1.788 -0.098) 2.045 28.797 ( 0.986 1.788 -0.098) 2.045 32.369 ( -0.324 -1.394 0.389) 1.483 32.369 ( -0.324 1.394 0.389) 1.483 32.524 ( 0.091 -1.259 -0.076) 1.264 32.524 ( 0.091 1.259 -0.076) 1.264 35.422 ( 0.544 -0.494 0.260) 0.779 35.422 ( 0.544 0.494 0.260) 0.779 35.563 ( -0.038 -1.007 -0.321) 1.058 35.563 ( -0.038 1.007 -0.321) 1.058 88.761 ( 1.533 -0.318 -0.901) 1.806 88.761 ( 1.533 0.318 -0.901) 1.806 89.206 ( 4.019 -4.497 1.206) 6.151 89.206 ( 4.019 4.497 1.206) 6.151 97.671 ( 1.137 -0.533 -0.498) 1.351 97.671 ( 1.137 0.533 -0.498) 1.351 97.742 ( 1.627 -1.944 0.269) 2.549 97.742 ( 1.627 1.944 0.269) 2.549 98.727 ( 0.959 -0.760 0.229) 1.245 98.727 ( 0.959 0.760 0.229) 1.245 98.909 ( -4.128 -0.937 -1.135) 4.382 98.909 ( -4.128 0.937 -1.135) 4.382 99.669 ( -1.555 -0.879 -1.708) 2.472 99.669 ( -1.555 0.879 -1.708) 2.472 100.008 ( 2.469 -8.853 1.823) 9.370 100.008 ( 2.469 8.853 1.823) 9.370 ======================= Grid point 35 (20/92) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 4.743 -4.087 3.612) 7.228 1.651 ( 4.743 4.087 3.612) 7.228 1.968 ( -0.057 -1.422 -3.926) 4.176 1.968 ( -0.057 1.422 -3.926) 4.176 2.117 ( 0.246 -2.296 4.818) 5.343 2.117 ( 0.246 2.296 4.818) 5.343 2.197 ( 3.875 -5.307 -2.146) 6.913 2.197 ( 3.875 5.307 -2.146) 6.913 2.288 ( -0.141 -5.112 1.798) 5.421 2.288 ( -0.141 5.112 1.798) 5.421 2.426 ( -1.328 -2.038 2.064) 3.190 2.426 ( -1.328 2.038 2.064) 3.190 2.615 ( -2.173 -3.478 1.074) 4.239 2.615 ( -2.173 3.478 1.074) 4.239 2.809 ( 0.989 -2.773 5.053) 5.848 2.809 ( 0.989 2.773 5.053) 5.848 2.918 ( -1.497 -3.336 -4.220) 5.583 2.918 ( -1.497 3.336 -4.220) 5.583 3.024 ( 2.660 -1.058 0.606) 2.927 3.024 ( 2.660 1.058 0.606) 2.927 3.155 ( -3.348 -2.251 -3.964) 5.656 3.155 ( -3.348 2.251 -3.964) 5.656 3.593 ( 0.650 -2.336 -2.239) 3.301 3.593 ( 0.650 2.336 -2.239) 3.301 4.347 ( -1.358 -3.357 -0.150) 3.624 4.347 ( -1.358 3.357 -0.150) 3.624 4.452 ( -0.346 -2.786 0.020) 2.807 4.452 ( -0.346 2.786 0.020) 2.807 4.870 ( 0.985 -6.245 2.714) 6.880 4.870 ( 0.985 6.245 2.714) 6.881 5.110 ( -0.441 -4.622 -1.086) 4.768 5.110 ( -0.441 4.622 -1.086) 4.768 5.173 ( -2.603 -4.980 -2.568) 6.178 5.173 ( -2.603 4.980 -2.568) 6.178 5.202 ( -1.429 -5.792 -0.826) 6.022 5.202 ( -1.429 5.792 -0.826) 6.023 5.461 ( -3.854 -0.273 0.202) 3.869 5.461 ( -3.854 0.273 0.202) 3.869 5.684 ( -4.234 -1.649 -0.853) 4.623 5.684 ( -4.234 1.649 -0.853) 4.623 5.909 ( 1.569 -5.529 0.207) 5.751 5.909 ( 1.569 5.530 0.207) 5.752 6.187 ( 1.196 -2.421 3.723) 4.599 6.187 ( 1.196 2.421 3.723) 4.599 6.367 ( -2.151 -6.450 -5.774) 8.920 6.367 ( -2.151 6.450 -5.774) 8.920 6.570 ( 0.134 -1.365 0.810) 1.593 6.570 ( 0.134 1.365 0.810) 1.593 6.960 ( -1.235 -3.622 0.512) 3.861 6.960 ( -1.235 3.622 0.512) 3.861 7.308 ( 0.812 -7.574 2.231) 7.937 7.308 ( 0.812 7.574 2.231) 7.937 7.823 ( -0.328 -1.295 1.758) 2.208 7.823 ( -0.328 1.295 1.758) 2.208 7.945 ( -0.570 -8.130 -0.847) 8.194 7.945 ( -0.570 8.130 -0.847) 8.194 8.361 ( -1.297 -13.149 0.145) 13.214 8.361 ( -1.297 13.149 0.145) 13.214 8.599 ( 0.665 -2.009 -1.670) 2.696 8.599 ( 0.665 2.009 -1.670) 2.696 9.255 ( 1.243 -8.936 0.298) 9.027 9.255 ( 1.243 8.936 0.298) 9.027 9.341 ( 1.368 -9.394 2.715) 9.874 9.341 ( 1.368 9.394 2.715) 9.874 9.618 ( 0.244 -6.199 -1.605) 6.408 9.618 ( 0.244 6.199 -1.605) 6.408 9.923 ( 2.085 -2.715 -0.224) 3.431 9.923 ( 2.085 2.715 -0.224) 3.431 10.450 ( 0.360 -1.796 -0.489) 1.896 10.450 ( 0.360 1.796 -0.489) 1.896 10.829 ( 1.076 -11.512 0.392) 11.569 10.829 ( 1.076 11.512 0.392) 11.569 20.544 ( -0.392 -0.244 -0.143) 0.484 20.544 ( -0.392 0.244 -0.143) 0.484 20.838 ( -0.884 -1.075 0.025) 1.392 20.838 ( -0.884 1.075 0.025) 1.392 22.794 ( -0.371 -2.819 -0.749) 2.940 22.794 ( -0.371 2.819 -0.749) 2.940 23.113 ( 0.456 -3.833 0.730) 3.928 23.113 ( 0.456 3.833 0.730) 3.928 24.564 ( -0.504 -1.434 -0.046) 1.521 24.564 ( -0.504 1.434 -0.046) 1.521 25.048 ( 0.710 -0.332 0.357) 0.862 25.048 ( 0.710 0.332 0.357) 0.862 25.679 ( -1.707 -0.605 -0.082) 1.813 25.679 ( -1.707 0.605 -0.082) 1.813 26.008 ( -1.207 -0.425 -0.094) 1.283 26.008 ( -1.207 0.425 -0.094) 1.283 28.330 ( 0.479 -0.507 0.155) 0.715 28.330 ( 0.479 0.507 0.155) 0.715 28.540 ( -0.321 -1.861 -0.253) 1.905 28.540 ( -0.321 1.861 -0.253) 1.905 28.664 ( -0.161 -2.616 0.285) 2.636 28.664 ( -0.161 2.616 0.285) 2.636 28.807 ( 0.320 -2.946 -0.008) 2.964 28.807 ( 0.320 2.946 -0.008) 2.964 32.367 ( -0.165 -0.617 0.123) 0.650 32.367 ( -0.165 0.617 0.123) 0.650 32.525 ( 0.061 -0.585 -0.023) 0.588 32.525 ( 0.061 0.585 -0.023) 0.588 35.431 ( 0.256 -0.090 0.096) 0.288 35.431 ( 0.256 0.090 0.096) 0.288 35.561 ( -0.009 -1.253 -0.095) 1.256 35.561 ( -0.009 1.253 -0.095) 1.256 88.772 ( 0.597 -0.410 -0.340) 0.800 88.772 ( 0.597 0.410 -0.340) 0.800 89.263 ( 1.520 -4.898 0.524) 5.155 89.263 ( 1.520 4.898 0.524) 5.155 97.680 ( 0.411 -0.261 -0.227) 0.537 97.680 ( 0.411 0.261 -0.227) 0.537 97.765 ( 0.690 -2.482 0.158) 2.580 97.765 ( 0.690 2.482 0.158) 2.580 98.744 ( 0.733 -1.092 -0.056) 1.316 98.744 ( 0.733 1.092 -0.056) 1.316 98.850 ( -1.869 -0.240 -0.198) 1.894 98.850 ( -1.869 0.240 -0.198) 1.894 99.635 ( -0.653 -1.486 -0.777) 1.800 99.635 ( -0.653 1.486 -0.777) 1.800 100.050 ( 0.886 -9.660 0.692) 9.725 100.050 ( 0.886 9.660 0.692) 9.725 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -0.182 0.000 20.273) 20.274 0.473 ( -7.822 0.000 21.701) 23.068 0.905 ( -3.638 0.000 39.550) 39.717 1.693 ( 2.752 0.000 -11.586) 11.908 1.781 ( 0.871 0.000 -16.131) 16.154 1.926 ( 1.318 0.000 7.080) 7.202 2.131 ( 5.253 0.000 10.928) 12.125 2.145 ( -0.671 0.000 1.306) 1.469 2.240 ( -1.786 0.000 -3.186) 3.653 2.376 ( -1.664 0.000 7.135) 7.327 2.524 ( -3.100 0.000 3.387) 4.591 2.586 ( 0.849 0.000 6.712) 6.766 2.600 ( 1.515 0.000 -1.698) 2.276 2.667 ( 0.096 0.000 7.459) 7.459 2.768 ( -1.597 0.000 -0.120) 1.602 2.822 ( 2.713 0.000 -3.614) 4.519 2.918 ( 1.651 0.000 2.349) 2.872 3.179 ( -2.056 0.000 -2.154) 2.978 3.217 ( -0.361 0.000 -3.540) 3.559 3.244 ( 3.013 0.000 -9.364) 9.837 3.276 ( -3.810 0.000 -3.898) 5.450 3.301 ( 0.972 0.000 -3.492) 3.625 3.418 ( -0.229 0.000 -4.945) 4.950 3.542 ( -2.595 0.000 -5.648) 6.216 4.333 ( -1.015 0.000 1.645) 1.933 4.454 ( 2.087 0.000 -2.242) 3.063 4.671 ( -6.764 0.000 6.714) 9.531 4.835 ( 0.978 0.000 1.304) 1.630 4.869 ( -1.729 0.000 0.229) 1.744 5.011 ( -0.744 0.000 1.591) 1.757 5.157 ( -0.156 0.000 3.168) 3.172 5.209 ( -2.911 0.000 1.146) 3.129 5.279 ( 1.346 0.000 5.714) 5.871 5.399 ( -0.832 0.000 -8.779) 8.818 5.531 ( 0.490 0.000 3.655) 3.688 5.543 ( 1.909 0.000 -3.766) 4.222 5.688 ( -1.405 0.000 -4.213) 4.442 5.798 ( 3.973 0.000 1.697) 4.321 5.901 ( -4.872 0.000 2.812) 5.626 5.903 ( 3.241 0.000 -0.932) 3.372 5.942 ( -0.255 0.000 0.573) 0.627 5.991 ( -1.214 0.000 0.932) 1.530 6.206 ( 2.311 0.000 -4.964) 5.476 6.227 ( -1.794 0.000 -3.556) 3.983 6.346 ( -1.724 0.000 -0.053) 1.725 6.414 ( -3.498 0.000 -1.843) 3.954 6.545 ( 5.420 0.000 -1.974) 5.769 6.901 ( 2.060 0.000 -14.042) 14.192 7.061 ( -1.864 0.000 0.224) 1.878 7.164 ( 1.391 0.000 -2.000) 2.437 7.233 ( -5.496 0.000 -0.338) 5.507 7.237 ( 4.576 0.000 0.588) 4.614 7.644 ( 6.021 0.000 15.452) 16.583 8.062 ( -4.823 0.000 0.099) 4.824 8.107 ( 1.444 0.000 2.538) 2.921 8.203 ( -14.652 0.000 3.161) 14.989 8.524 ( 11.187 0.000 5.897) 12.646 8.694 ( -3.860 0.000 0.371) 3.878 8.700 ( -8.280 0.000 1.756) 8.464 8.726 ( 2.858 0.000 -1.948) 3.459 8.807 ( 0.413 0.000 2.553) 2.587 8.922 ( 4.918 0.000 -1.466) 5.132 9.059 ( 1.032 0.000 -0.733) 1.266 9.189 ( -1.537 0.000 0.293) 1.565 9.417 ( -6.893 0.000 7.275) 10.021 9.482 ( 9.531 0.000 -6.882) 11.756 9.595 ( 7.976 0.000 -9.262) 12.223 9.935 ( 6.290 0.000 -5.108) 8.103 10.248 ( -9.308 0.000 3.006) 9.781 10.328 ( 4.715 0.000 -0.615) 4.755 10.727 ( -18.950 0.000 3.728) 19.313 10.958 ( 3.483 0.000 -1.098) 3.652 20.521 ( -0.053 0.000 -0.148) 0.157 20.535 ( 0.653 0.000 -0.516) 0.832 20.858 ( -0.579 0.000 0.597) 0.832 20.893 ( 0.431 0.000 -0.193) 0.472 22.739 ( 1.520 0.000 1.022) 1.832 22.841 ( -1.605 0.000 -1.097) 1.944 23.045 ( 1.996 0.000 0.506) 2.059 23.113 ( -1.658 0.000 -0.944) 1.908 24.733 ( 1.191 0.000 0.601) 1.334 24.806 ( -1.634 0.000 -1.464) 2.194 24.874 ( 0.174 0.000 1.515) 1.525 24.928 ( 0.909 0.000 -0.161) 0.923 25.881 ( 0.308 0.000 0.035) 0.310 25.888 ( -0.155 0.000 -0.112) 0.191 26.090 ( 0.506 0.000 2.136) 2.195 26.287 ( -10.399 0.000 -2.034) 10.596 28.296 ( -0.618 0.000 2.095) 2.184 28.466 ( -9.719 0.000 -0.481) 9.731 28.529 ( 0.383 0.000 0.002) 0.383 28.621 ( 1.602 0.000 -1.364) 2.104 28.645 ( -0.390 0.000 1.246) 1.305 28.698 ( -2.000 0.000 0.650) 2.103 28.733 ( 16.404 0.000 0.448) 16.410 28.843 ( 1.510 0.000 -1.945) 2.462 32.294 ( -0.798 0.000 0.969) 1.255 32.392 ( 0.927 0.000 -1.097) 1.436 32.564 ( 1.820 0.000 0.459) 1.877 32.609 ( 0.130 0.000 -0.516) 0.532 35.341 ( -0.178 0.000 1.827) 1.836 35.438 ( -0.547 0.000 1.664) 1.752 35.521 ( -0.028 0.000 -2.028) 2.028 35.582 ( -2.210 0.000 -1.322) 2.575 88.778 ( -2.501 0.000 0.550) 2.561 88.892 ( 0.908 0.000 -1.998) 2.194 89.061 ( -45.816 0.000 1.139) 45.830 89.114 ( 5.512 0.000 0.153) 5.514 97.622 ( -1.461 0.000 -0.417) 1.520 97.633 ( 0.322 0.000 -0.631) 0.709 97.671 ( -5.933 0.000 0.712) 5.975 97.698 ( 0.971 0.000 0.129) 0.980 98.682 ( -0.189 0.000 1.190) 1.205 98.733 ( 0.161 0.000 0.141) 0.214 98.790 ( 1.344 0.000 -0.018) 1.344 98.857 ( -0.388 0.000 -1.477) 1.527 99.592 ( -0.097 0.000 1.095) 1.099 99.707 ( 0.959 0.000 -1.505) 1.785 100.005 ( -5.652 0.000 1.002) 5.740 100.057 ( 29.123 0.000 -0.264) 29.125 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 12.554 0.000 15.663) 20.073 0.740 ( 11.178 0.000 17.523) 20.785 1.361 ( 10.327 0.000 25.321) 27.346 1.645 ( 3.331 0.000 -13.176) 13.591 1.648 ( 7.014 0.000 -12.490) 14.324 2.001 ( -0.032 0.000 4.270) 4.270 2.149 ( -1.316 0.000 3.787) 4.009 2.192 ( -3.309 0.000 4.196) 5.344 2.358 ( 5.243 0.000 12.382) 13.446 2.398 ( -2.899 0.000 4.375) 5.248 2.465 ( -5.685 0.000 3.718) 6.793 2.589 ( -2.262 0.000 -0.333) 2.286 2.662 ( -1.036 0.000 4.449) 4.568 2.708 ( -2.155 0.000 0.728) 2.275 2.753 ( -1.051 0.000 3.552) 3.704 2.837 ( 2.203 0.000 -1.687) 2.774 2.966 ( 0.433 0.000 2.907) 2.939 3.078 ( 0.720 0.000 -12.022) 12.044 3.111 ( -2.859 0.000 -6.777) 7.356 3.215 ( -0.393 0.000 -2.748) 2.776 3.222 ( 3.629 0.000 -7.001) 7.885 3.278 ( -1.619 0.000 -0.608) 1.729 3.322 ( -2.173 0.000 -7.493) 7.802 3.478 ( 0.798 0.000 -4.172) 4.247 4.359 ( 2.069 0.000 1.463) 2.533 4.465 ( 1.024 0.000 -1.282) 1.641 4.656 ( -3.297 0.000 5.412) 6.337 4.814 ( -4.431 0.000 -0.807) 4.504 4.865 ( 0.061 0.000 1.477) 1.478 4.970 ( -5.264 0.000 1.776) 5.555 5.108 ( -9.434 0.000 5.278) 10.810 5.217 ( -0.061 0.000 3.177) 3.178 5.305 ( 1.316 0.000 -8.445) 8.546 5.381 ( 2.097 0.000 5.417) 5.809 5.443 ( -5.428 0.000 -6.554) 8.510 5.608 ( 1.518 0.000 6.332) 6.511 5.651 ( -0.980 0.000 -1.967) 2.197 5.831 ( -0.633 0.000 -2.392) 2.474 5.864 ( -1.398 0.000 0.616) 1.527 5.936 ( 0.280 0.000 -1.910) 1.931 5.986 ( 4.620 0.000 1.667) 4.912 5.988 ( 0.364 0.000 3.048) 3.070 6.124 ( -7.257 0.000 -2.011) 7.531 6.156 ( -1.346 0.000 -3.780) 4.013 6.232 ( -7.013 0.000 1.440) 7.159 6.365 ( -1.439 0.000 -0.613) 1.564 6.601 ( 4.197 0.000 -3.590) 5.523 6.756 ( -2.409 0.000 -12.722) 12.948 7.065 ( -2.585 0.000 0.829) 2.715 7.136 ( -3.295 0.000 0.337) 3.312 7.161 ( 1.433 0.000 -2.113) 2.553 7.322 ( 3.843 0.000 -0.911) 3.949 7.779 ( -19.492 0.000 -3.480) 19.800 7.884 ( 1.813 0.000 15.685) 15.790 8.108 ( -7.306 0.000 6.378) 9.698 8.143 ( -0.795 0.000 3.258) 3.354 8.564 ( -5.877 0.000 -2.969) 6.584 8.594 ( -13.102 0.000 4.837) 13.966 8.650 ( -3.147 0.000 4.513) 5.502 8.775 ( 3.112 0.000 -0.883) 3.235 8.872 ( 3.996 0.000 3.191) 5.114 8.966 ( 4.355 0.000 -3.793) 5.775 9.092 ( 4.901 0.000 -2.130) 5.343 9.237 ( 8.150 0.000 1.567) 8.300 9.449 ( -0.722 0.000 -7.835) 7.868 9.453 ( 1.906 0.000 6.731) 6.996 9.596 ( 5.259 0.000 -12.558) 13.615 9.899 ( -1.278 0.000 -0.582) 1.404 10.262 ( 5.358 0.000 0.823) 5.421 10.455 ( 7.962 0.000 1.810) 8.165 10.632 ( -3.151 0.000 3.689) 4.852 11.050 ( 7.801 0.000 0.280) 7.806 20.515 ( -0.450 0.000 -0.201) 0.492 20.529 ( -0.352 0.000 -0.486) 0.601 20.844 ( -1.714 0.000 0.466) 1.776 20.891 ( -0.487 0.000 -0.089) 0.495 22.789 ( 2.253 0.000 2.099) 3.079 22.791 ( -2.106 0.000 -2.072) 2.954 23.067 ( -1.774 0.000 -2.004) 2.676 23.105 ( 3.636 0.000 1.449) 3.914 24.737 ( -4.189 0.000 -0.619) 4.234 24.769 ( 1.783 0.000 1.404) 2.269 24.866 ( -1.872 0.000 1.273) 2.264 24.942 ( 0.851 0.000 0.003) 0.851 25.853 ( -4.004 0.000 -0.210) 4.010 25.855 ( -3.312 0.000 0.367) 3.332 26.118 ( -0.985 0.000 3.034) 3.190 26.137 ( -6.493 0.000 1.307) 6.623 28.311 ( -0.388 0.000 2.034) 2.071 28.362 ( -4.741 0.000 2.180) 5.218 28.521 ( -1.338 0.000 0.256) 1.362 28.613 ( -0.643 0.000 -0.388) 0.751 28.650 ( -0.796 0.000 1.308) 1.531 28.693 ( 0.849 0.000 -0.724) 1.116 28.840 ( 0.432 0.000 -1.839) 1.889 28.895 ( 7.700 0.000 -4.587) 8.963 32.294 ( -0.295 0.000 0.873) 0.921 32.399 ( 1.304 0.000 -0.976) 1.629 32.550 ( -2.758 0.000 1.333) 3.064 32.596 ( -0.904 0.000 -0.771) 1.188 35.367 ( 0.480 0.000 2.340) 2.389 35.453 ( -0.146 0.000 1.904) 1.910 35.489 ( -0.908 0.000 -1.958) 2.158 35.555 ( 0.180 0.000 -0.719) 0.741 88.716 ( -3.392 0.000 3.460) 4.845 88.804 ( -3.653 0.000 3.480) 5.045 88.912 ( 3.533 0.000 -1.248) 3.747 89.251 ( 7.922 0.000 3.858) 8.811 97.623 ( 1.726 0.000 -0.930) 1.961 97.642 ( 1.258 0.000 -0.225) 1.278 97.669 ( 1.536 0.000 -0.338) 1.573 97.736 ( 3.138 0.000 0.733) 3.223 98.695 ( 0.048 0.000 1.241) 1.242 98.735 ( -0.264 0.000 0.274) 0.381 98.790 ( -0.893 0.000 0.695) 1.131 98.823 ( -1.231 0.000 -2.153) 2.480 99.604 ( -0.037 0.000 1.282) 1.283 99.700 ( 0.234 0.000 -1.550) 1.568 99.891 ( -6.734 0.000 -2.350) 7.133 100.337 ( 11.989 0.000 -5.710) 13.279 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 11.542 0.000 13.013) 17.394 1.131 ( 18.762 0.000 8.690) 20.676 1.535 ( 10.694 0.000 -14.776) 18.240 1.642 ( 8.225 0.000 -13.193) 15.547 1.758 ( 2.755 0.000 11.566) 11.889 2.024 ( 0.663 0.000 0.328) 0.740 2.206 ( -5.317 0.000 9.023) 10.473 2.222 ( 2.098 0.000 8.075) 8.343 2.379 ( -2.651 0.000 2.840) 3.885 2.397 ( -2.500 0.000 2.883) 3.816 2.517 ( -5.946 0.000 1.302) 6.087 2.597 ( 4.610 0.000 10.696) 11.647 2.641 ( -5.459 0.000 3.248) 6.352 2.674 ( -5.649 0.000 -5.710) 8.032 2.717 ( 2.227 0.000 -1.175) 2.518 2.836 ( -0.438 0.000 -2.216) 2.259 2.973 ( 0.282 0.000 -2.342) 2.358 3.000 ( 5.914 0.000 -10.869) 12.374 3.091 ( -0.606 0.000 8.009) 8.032 3.157 ( -1.337 0.000 -9.284) 9.380 3.159 ( -5.575 0.000 1.378) 5.743 3.246 ( -1.283 0.000 -0.661) 1.443 3.267 ( 2.454 0.000 -3.900) 4.608 3.463 ( 3.256 0.000 -4.444) 5.509 4.423 ( 3.762 0.000 0.831) 3.853 4.463 ( -1.789 0.000 2.099) 2.758 4.662 ( -2.117 0.000 3.806) 4.356 4.721 ( -5.017 0.000 -0.929) 5.102 4.858 ( -1.952 0.000 0.043) 1.952 4.918 ( -2.828 0.000 2.437) 3.733 5.015 ( -6.776 0.000 4.051) 7.894 5.223 ( -3.914 0.000 3.607) 5.323 5.246 ( -2.795 0.000 -4.861) 5.607 5.290 ( -0.133 0.000 -8.085) 8.086 5.467 ( 1.607 0.000 4.899) 5.156 5.601 ( -1.566 0.000 -2.759) 3.172 5.652 ( -3.489 0.000 4.187) 5.450 5.740 ( -5.967 0.000 -3.983) 7.174 5.855 ( -1.411 0.000 -2.654) 3.006 5.871 ( -5.154 0.000 -0.826) 5.220 5.962 ( -8.961 0.000 3.349) 9.567 6.085 ( 6.544 0.000 2.989) 7.194 6.087 ( 3.209 0.000 3.064) 4.437 6.095 ( -6.772 0.000 1.089) 6.859 6.199 ( 3.184 0.000 1.053) 3.354 6.321 ( -1.345 0.000 -4.329) 4.533 6.574 ( -3.929 0.000 -9.919) 10.669 6.609 ( 0.550 0.000 -1.737) 1.822 6.958 ( -6.654 0.000 -0.915) 6.717 7.173 ( 2.904 0.000 2.105) 3.586 7.176 ( 2.922 0.000 -2.202) 3.659 7.267 ( -6.772 0.000 -6.996) 9.737 7.506 ( -9.846 0.000 2.648) 10.196 7.974 ( -8.030 0.000 9.248) 12.248 8.042 ( -10.233 0.000 7.654) 12.778 8.195 ( 2.100 0.000 5.961) 6.320 8.371 ( -17.482 0.000 5.375) 18.289 8.439 ( -2.470 0.000 -7.359) 7.762 8.624 ( -1.219 0.000 -0.642) 1.377 8.796 ( -0.565 0.000 0.396) 0.691 8.971 ( 0.764 0.000 -1.363) 1.562 8.984 ( 4.119 0.000 3.063) 5.133 9.181 ( 6.674 0.000 -1.977) 6.960 9.339 ( -2.178 0.000 -6.888) 7.224 9.440 ( 12.193 0.000 1.235) 12.256 9.562 ( 9.323 0.000 -12.875) 15.896 9.597 ( 6.160 0.000 6.691) 9.095 9.927 ( 4.613 0.000 -2.022) 5.036 10.366 ( 3.671 0.000 3.986) 5.419 10.581 ( 4.429 0.000 1.532) 4.686 10.620 ( -2.089 0.000 1.292) 2.456 11.202 ( 8.762 0.000 0.942) 8.813 20.502 ( -0.700 0.000 -0.246) 0.742 20.519 ( -0.342 0.000 -0.316) 0.466 20.815 ( -2.162 0.000 0.445) 2.208 20.876 ( -1.044 0.000 -0.156) 1.055 22.736 ( -1.732 0.000 -1.752) 2.463 22.849 ( 2.006 0.000 2.059) 2.875 23.019 ( -1.256 0.000 -1.917) 2.292 23.185 ( 3.874 0.000 1.284) 4.081 24.669 ( -3.573 0.000 0.111) 3.575 24.816 ( 1.838 0.000 1.340) 2.274 24.848 ( -1.629 0.000 0.820) 1.824 24.953 ( 0.686 0.000 -0.399) 0.794 25.761 ( -6.200 0.000 -0.352) 6.210 25.789 ( -5.079 0.000 0.708) 5.128 26.072 ( -3.031 0.000 0.353) 3.051 26.113 ( -3.185 0.000 2.552) 4.081 28.327 ( 0.442 0.000 1.181) 1.261 28.329 ( -1.847 0.000 1.360) 2.294 28.498 ( -1.961 0.000 0.631) 2.060 28.611 ( 0.004 0.000 1.017) 1.017 28.646 ( -1.089 0.000 0.967) 1.457 28.691 ( 0.349 0.000 -1.853) 1.885 28.819 ( -0.469 0.000 -1.827) 1.886 28.942 ( 3.763 0.000 -3.313) 5.014 32.305 ( 0.522 0.000 0.809) 0.963 32.414 ( 1.654 0.000 -0.859) 1.864 32.517 ( -3.063 0.000 1.481) 3.402 32.564 ( -1.503 0.000 -1.266) 1.965 35.404 ( 0.774 0.000 2.464) 2.582 35.460 ( -0.247 0.000 -1.717) 1.735 35.469 ( -0.317 0.000 1.683) 1.713 35.558 ( 1.199 0.000 -1.136) 1.652 88.749 ( 2.337 0.000 2.084) 3.131 88.802 ( -0.569 0.000 1.862) 1.947 88.974 ( 4.998 0.000 -0.889) 5.077 89.430 ( 5.976 0.000 6.402) 8.757 97.647 ( 2.072 0.000 -0.482) 2.128 97.665 ( 1.528 0.000 -0.022) 1.528 97.688 ( 1.409 0.000 -0.922) 1.685 97.816 ( 4.359 0.000 1.997) 4.795 98.708 ( 0.125 0.000 0.894) 0.902 98.727 ( -1.087 0.000 0.094) 1.091 98.780 ( -0.820 0.000 -2.140) 2.292 98.780 ( -1.384 0.000 1.020) 1.719 99.616 ( -0.084 0.000 1.124) 1.127 99.686 ( -0.228 0.000 -0.987) 1.013 99.753 ( -5.073 0.000 -4.145) 6.551 100.421 ( 5.417 0.000 -3.965) 6.713 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 7.900 0.000 5.923) 9.874 1.456 ( 15.736 0.000 -4.353) 16.327 1.635 ( 11.355 0.000 -1.604) 11.468 1.644 ( 7.478 0.000 -10.716) 13.067 1.835 ( 2.507 0.000 1.524) 2.933 2.016 ( -0.981 0.000 -2.851) 3.015 2.206 ( -3.684 0.000 7.609) 8.454 2.217 ( -4.078 0.000 -3.278) 5.232 2.405 ( -1.493 0.000 2.912) 3.272 2.410 ( -4.566 0.000 1.498) 4.806 2.464 ( -5.545 0.000 -10.680) 12.033 2.508 ( 4.335 0.000 3.763) 5.740 2.588 ( -4.863 0.000 3.553) 6.023 2.714 ( -0.226 0.000 2.014) 2.027 2.772 ( 0.282 0.000 3.548) 3.559 2.806 ( 3.174 0.000 -6.842) 7.542 2.974 ( 1.004 0.000 2.543) 2.734 3.037 ( 6.109 0.000 -4.740) 7.733 3.046 ( -1.866 0.000 -0.750) 2.011 3.064 ( -7.262 0.000 2.488) 7.677 3.179 ( -1.949 0.000 5.837) 6.154 3.227 ( -1.991 0.000 6.160) 6.474 3.245 ( -0.705 0.000 -2.924) 3.008 3.516 ( 8.331 0.000 -4.108) 9.289 4.445 ( -4.575 0.000 4.402) 6.349 4.491 ( 3.596 0.000 0.245) 3.604 4.639 ( -3.921 0.000 -0.561) 3.961 4.662 ( -2.534 0.000 3.449) 4.280 4.815 ( -3.010 0.000 0.632) 3.076 4.933 ( 0.730 0.000 2.966) 3.054 4.985 ( 0.142 0.000 0.479) 0.500 5.121 ( -5.089 0.000 -2.638) 5.733 5.165 ( -6.069 0.000 2.050) 6.406 5.271 ( 3.607 0.000 -4.602) 5.847 5.531 ( -0.660 0.000 4.830) 4.875 5.538 ( -7.149 0.000 -3.345) 7.893 5.589 ( 0.033 0.000 -1.777) 1.777 5.624 ( -3.020 0.000 2.607) 3.989 5.748 ( -5.011 0.000 -3.206) 5.949 5.752 ( -10.067 0.000 1.944) 10.253 5.914 ( -4.332 0.000 1.486) 4.579 5.974 ( -4.401 0.000 -3.180) 5.430 6.161 ( 1.319 0.000 3.609) 3.843 6.196 ( 3.343 0.000 2.268) 4.039 6.256 ( 1.542 0.000 -4.933) 5.169 6.357 ( 6.902 0.000 7.685) 10.329 6.443 ( 0.041 0.000 -6.837) 6.838 6.583 ( -3.111 0.000 0.656) 3.179 6.850 ( -5.863 0.000 -0.123) 5.865 7.057 ( -7.513 0.000 -2.836) 8.030 7.228 ( 3.505 0.000 -0.402) 3.528 7.241 ( 3.117 0.000 0.486) 3.155 7.435 ( -2.688 0.000 0.158) 2.692 7.871 ( -8.068 0.000 -0.741) 8.102 7.906 ( -16.681 0.000 8.878) 18.897 8.194 ( -5.917 0.000 -1.624) 6.136 8.240 ( -4.059 0.000 -0.486) 4.088 8.387 ( 4.417 0.000 -0.525) 4.448 8.609 ( -0.325 0.000 0.593) 0.676 8.744 ( -4.820 0.000 -2.349) 5.362 8.986 ( 0.663 0.000 2.159) 2.259 9.047 ( 2.391 0.000 -0.855) 2.539 9.247 ( 4.579 0.000 -3.469) 5.745 9.274 ( 2.049 0.000 -4.159) 4.636 9.621 ( 7.507 0.000 1.405) 7.638 9.644 ( 11.378 0.000 -5.735) 12.742 9.766 ( 5.539 0.000 4.914) 7.404 9.982 ( 5.136 0.000 -2.991) 5.943 10.459 ( 1.969 0.000 4.096) 4.545 10.589 ( -3.718 0.000 2.627) 4.552 10.634 ( 1.459 0.000 -0.267) 1.483 11.325 ( 5.128 0.000 -0.559) 5.159 20.490 ( -0.511 0.000 -0.114) 0.524 20.512 ( -0.142 0.000 -0.153) 0.209 20.786 ( -1.840 0.000 0.557) 1.922 20.856 ( -0.957 0.000 -0.328) 1.012 22.702 ( -0.862 0.000 -0.417) 0.958 22.891 ( 0.961 0.000 0.857) 1.288 22.992 ( -0.205 0.000 -0.634) 0.667 23.249 ( 2.720 0.000 -0.049) 2.720 24.624 ( -2.419 0.000 0.791) 2.545 24.833 ( -1.143 0.000 0.806) 1.399 24.848 ( 0.939 0.000 -0.142) 0.949 24.959 ( 0.850 0.000 -0.701) 1.101 25.659 ( -5.155 0.000 -0.277) 5.162 25.711 ( -4.938 0.000 0.608) 4.975 26.034 ( -1.772 0.000 -0.052) 1.773 26.073 ( -3.555 0.000 1.151) 3.737 28.323 ( -0.499 0.000 0.880) 1.012 28.353 ( 1.427 0.000 0.586) 1.543 28.474 ( -1.923 0.000 1.125) 2.228 28.624 ( -0.331 0.000 0.591) 0.677 28.636 ( -0.955 0.000 0.318) 1.006 28.672 ( 0.122 0.000 -1.083) 1.090 28.790 ( -0.519 0.000 -1.779) 1.853 28.960 ( 2.139 0.000 -2.310) 3.148 32.329 ( 1.340 0.000 0.715) 1.519 32.436 ( 1.890 0.000 -0.713) 2.020 32.478 ( -3.286 0.000 1.202) 3.499 32.524 ( -1.312 0.000 -1.689) 2.139 35.439 ( 0.391 0.000 2.101) 2.137 35.445 ( 0.439 0.000 -1.265) 1.339 35.475 ( -0.718 0.000 1.115) 1.326 35.568 ( 1.331 0.000 -1.135) 1.750 88.806 ( 0.506 0.000 2.325) 2.379 88.829 ( 1.830 0.000 2.588) 3.170 89.045 ( 4.608 0.000 -1.507) 4.849 89.549 ( 0.423 0.000 4.776) 4.794 97.678 ( 1.968 0.000 -0.659) 2.075 97.688 ( 1.243 0.000 -0.165) 1.254 97.701 ( 0.854 0.000 0.501) 0.990 97.904 ( 2.589 0.000 2.580) 3.654 98.704 ( -0.968 0.000 -0.442) 1.064 98.716 ( 0.119 0.000 0.328) 0.349 98.755 ( -0.124 0.000 -1.300) 1.306 98.766 ( -1.600 0.000 0.907) 1.839 99.623 ( -0.246 0.000 0.645) 0.690 99.656 ( -1.711 0.000 -3.140) 3.576 99.682 ( 0.256 0.000 1.059) 1.089 100.448 ( 3.044 0.000 -3.901) 4.948 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.692 0.000 2.323) 2.874 1.623 ( 13.142 0.000 -6.946) 14.865 1.636 ( 5.190 0.000 -11.682) 12.783 1.668 ( -3.944 0.000 -3.923) 5.563 1.944 ( -2.304 0.000 -3.204) 3.947 2.002 ( 9.682 0.000 1.502) 9.797 2.111 ( -0.653 0.000 -4.486) 4.533 2.269 ( 0.914 0.000 8.529) 8.578 2.289 ( -0.706 0.000 -6.427) 6.466 2.343 ( -3.988 0.000 -1.166) 4.155 2.392 ( -3.378 0.000 -0.486) 3.413 2.506 ( -5.965 0.000 -1.720) 6.208 2.594 ( 1.923 0.000 0.455) 1.976 2.679 ( -3.445 0.000 -6.972) 7.777 2.742 ( 1.748 0.000 -4.488) 4.817 2.764 ( -2.511 0.000 -1.036) 2.716 2.952 ( -8.175 0.000 4.894) 9.528 3.063 ( -1.632 0.000 4.462) 4.751 3.087 ( 7.023 0.000 -0.208) 7.026 3.116 ( 1.658 0.000 3.480) 3.855 3.143 ( -2.376 0.000 2.625) 3.541 3.218 ( 0.158 0.000 0.166) 0.229 3.317 ( -0.753 0.000 10.634) 10.661 3.619 ( 7.636 0.000 -2.649) 8.082 4.412 ( -4.853 0.000 4.469) 6.597 4.553 ( 2.337 0.000 0.987) 2.537 4.581 ( -1.481 0.000 -0.028) 1.481 4.659 ( -1.790 0.000 3.370) 3.816 4.778 ( -3.254 0.000 2.261) 3.963 4.981 ( 1.193 0.000 1.971) 2.304 5.013 ( 3.052 0.000 -1.680) 3.484 5.027 ( -4.076 0.000 -0.753) 4.145 5.104 ( -2.871 0.000 1.921) 3.454 5.306 ( 4.251 0.000 -0.019) 4.251 5.426 ( -1.469 0.000 -0.736) 1.643 5.518 ( -3.809 0.000 -0.854) 3.903 5.610 ( -6.407 0.000 4.468) 7.812 5.630 ( -2.897 0.000 3.428) 4.488 5.638 ( -3.916 0.000 -1.077) 4.062 5.667 ( 7.471 0.000 -2.557) 7.896 5.818 ( -4.316 0.000 -1.664) 4.626 5.915 ( 0.181 0.000 -2.238) 2.245 6.221 ( 1.038 0.000 4.640) 4.755 6.266 ( 1.822 0.000 2.527) 3.115 6.275 ( 3.591 0.000 -2.163) 4.192 6.342 ( -2.355 0.000 -3.845) 4.509 6.541 ( -3.460 0.000 3.425) 4.869 6.594 ( 7.470 0.000 7.599) 10.656 6.762 ( -4.773 0.000 1.053) 4.888 6.984 ( 0.329 0.000 0.323) 0.460 7.267 ( 0.027 0.000 0.930) 0.930 7.271 ( 1.096 0.000 -1.796) 2.104 7.411 ( 1.397 0.000 -2.256) 2.654 7.714 ( -14.518 0.000 5.663) 15.583 7.725 ( -3.452 0.000 -8.047) 8.756 8.114 ( -0.601 0.000 -4.168) 4.211 8.131 ( -2.379 0.000 -6.593) 7.009 8.495 ( 2.505 0.000 6.460) 6.929 8.619 ( -1.575 0.000 -8.130) 8.281 8.630 ( 0.460 0.000 3.191) 3.224 9.035 ( 0.256 0.000 5.321) 5.327 9.057 ( 0.634 0.000 -2.149) 2.241 9.253 ( 1.907 0.000 -5.809) 6.114 9.302 ( 3.713 0.000 -0.883) 3.817 9.714 ( 1.924 0.000 1.443) 2.405 9.768 ( 6.545 0.000 -0.794) 6.593 9.852 ( -0.201 0.000 2.112) 2.122 10.036 ( 4.899 0.000 -2.524) 5.511 10.478 ( -2.246 0.000 -0.824) 2.392 10.596 ( -2.172 0.000 8.961) 9.221 10.635 ( 0.276 0.000 -1.835) 1.856 11.351 ( 1.072 0.000 -3.940) 4.083 20.485 ( -0.037 0.000 0.218) 0.221 20.511 ( 0.048 0.000 -0.061) 0.078 20.770 ( -0.885 0.000 0.737) 1.152 20.840 ( -0.313 0.000 -0.542) 0.626 22.701 ( 0.238 0.000 1.207) 1.231 22.895 ( -0.491 0.000 -0.899) 1.025 23.001 ( 0.808 0.000 1.297) 1.528 23.266 ( 0.495 0.000 -2.017) 2.077 24.606 ( -1.232 0.000 1.469) 1.917 24.829 ( -0.569 0.000 1.239) 1.364 24.841 ( -0.018 0.000 -2.274) 2.274 24.965 ( 0.601 0.000 -0.768) 0.975 25.599 ( -1.650 0.000 0.224) 1.665 25.649 ( -2.541 0.000 0.063) 2.542 26.014 ( -0.585 0.000 -0.097) 0.593 26.033 ( -1.816 0.000 0.095) 1.819 28.326 ( -0.291 0.000 0.764) 0.818 28.377 ( 0.615 0.000 0.241) 0.660 28.461 ( -1.276 0.000 1.679) 2.109 28.595 ( -1.142 0.000 -2.332) 2.596 28.624 ( -0.430 0.000 -0.297) 0.523 28.692 ( 1.006 0.000 1.640) 1.924 28.773 ( 0.488 0.000 -1.052) 1.159 28.967 ( 1.413 0.000 -1.961) 2.417 32.361 ( 1.524 0.000 0.575) 1.629 32.435 ( -3.158 0.000 0.882) 3.279 32.455 ( 0.948 0.000 -0.855) 1.276 32.494 ( 0.355 0.000 -1.440) 1.484 35.447 ( 0.889 0.000 -0.588) 1.066 35.449 ( -1.230 0.000 0.594) 1.366 35.477 ( -0.435 0.000 1.382) 1.449 35.577 ( 1.060 0.000 -0.951) 1.424 88.827 ( -0.530 0.000 2.310) 2.370 88.901 ( 1.110 0.000 5.687) 5.794 89.084 ( 2.433 0.000 -2.533) 3.512 89.541 ( -3.730 0.000 -0.411) 3.752 97.686 ( 0.370 0.000 -0.868) 0.943 97.700 ( 0.523 0.000 -0.372) 0.642 97.739 ( 1.453 0.000 2.531) 2.918 97.937 ( -0.918 0.000 0.886) 1.276 98.694 ( 0.035 0.000 -0.070) 0.078 98.718 ( -0.028 0.000 -0.207) 0.209 98.747 ( 0.595 0.000 -0.691) 0.912 98.748 ( -1.371 0.000 0.464) 1.447 99.620 ( -0.493 0.000 0.029) 0.494 99.622 ( 0.213 0.000 -1.419) 1.434 99.729 ( 1.539 0.000 5.109) 5.336 100.441 ( 1.995 0.000 -5.161) 5.533 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -12.780 0.000 -0.406) 12.787 1.442 ( -10.915 0.000 -12.954) 16.940 1.632 ( 9.570 0.000 -12.017) 15.362 1.764 ( 9.754 0.000 -3.705) 10.434 1.917 ( 1.216 0.000 0.015) 1.216 2.038 ( -5.561 0.000 8.714) 10.337 2.137 ( 6.088 0.000 -7.667) 9.790 2.228 ( -10.022 0.000 -5.105) 11.248 2.257 ( -3.378 0.000 -3.866) 5.134 2.361 ( 8.814 0.000 1.713) 8.979 2.374 ( -1.113 0.000 4.223) 4.367 2.437 ( 1.578 0.000 -1.812) 2.403 2.504 ( -4.428 0.000 -8.160) 9.284 2.566 ( -8.791 0.000 3.470) 9.451 2.683 ( -0.849 0.000 -5.047) 5.118 2.776 ( 3.395 0.000 -0.660) 3.458 2.907 ( -1.024 0.000 0.016) 1.024 3.001 ( -4.891 0.000 2.039) 5.299 3.148 ( 0.069 0.000 0.584) 0.588 3.195 ( -0.854 0.000 6.925) 6.977 3.215 ( 7.295 0.000 0.916) 7.352 3.263 ( 2.369 0.000 3.440) 4.177 3.408 ( -0.374 0.000 7.915) 7.924 3.700 ( 3.657 0.000 -0.086) 3.658 4.383 ( -3.581 0.000 3.413) 4.947 4.537 ( -2.206 0.000 1.233) 2.527 4.639 ( 3.264 0.000 1.774) 3.714 4.678 ( 1.069 0.000 0.890) 1.391 4.776 ( -1.101 0.000 5.591) 5.699 4.930 ( -5.389 0.000 -1.112) 5.502 5.035 ( 2.145 0.000 -1.743) 2.764 5.069 ( 8.207 0.000 0.460) 8.220 5.090 ( -3.226 0.000 2.435) 4.042 5.415 ( 4.976 0.000 3.992) 6.379 5.445 ( -1.918 0.000 -0.953) 2.142 5.459 ( 5.805 0.000 -0.907) 5.875 5.583 ( -1.987 0.000 1.084) 2.264 5.604 ( 2.264 0.000 0.513) 2.321 5.630 ( -1.652 0.000 2.489) 2.987 5.652 ( 0.242 0.000 -6.034) 6.039 5.890 ( -1.488 0.000 -2.470) 2.883 5.893 ( 6.664 0.000 4.577) 8.084 6.225 ( -3.024 0.000 -5.550) 6.320 6.235 ( -3.196 0.000 0.821) 3.300 6.335 ( -1.151 0.000 5.618) 5.735 6.343 ( 4.065 0.000 2.269) 4.655 6.560 ( 0.697 0.000 4.598) 4.650 6.731 ( -1.271 0.000 7.259) 7.369 6.790 ( 7.013 0.000 3.119) 7.676 7.073 ( 10.076 0.000 -0.632) 10.095 7.245 ( -1.442 0.000 -1.597) 2.152 7.246 ( -1.899 0.000 -0.346) 1.930 7.411 ( 1.851 0.000 -5.422) 5.729 7.591 ( -7.191 0.000 8.031) 10.781 7.592 ( 0.372 0.000 -12.141) 12.146 8.049 ( 0.656 0.000 -5.802) 5.839 8.085 ( 2.015 0.000 -3.258) 3.831 8.500 ( 2.034 0.000 -8.228) 8.476 8.637 ( 3.038 0.000 4.880) 5.748 8.684 ( 0.507 0.000 4.779) 4.806 9.018 ( -2.093 0.000 -3.075) 3.719 9.098 ( -0.696 0.000 6.720) 6.756 9.188 ( -0.723 0.000 -7.935) 7.968 9.357 ( 3.618 0.000 -0.973) 3.747 9.718 ( -3.604 0.000 2.130) 4.186 9.799 ( -6.661 0.000 -0.868) 6.717 9.825 ( 1.032 0.000 -0.300) 1.074 10.081 ( 2.232 0.000 -1.068) 2.474 10.414 ( -4.818 0.000 1.270) 4.983 10.608 ( -0.680 0.000 -2.669) 2.754 10.676 ( -0.433 0.000 9.593) 9.602 11.289 ( -1.448 0.000 -6.611) 6.768 20.492 ( 0.342 0.000 0.429) 0.549 20.512 ( 0.210 0.000 -0.108) 0.236 20.774 ( 0.288 0.000 0.899) 0.944 20.836 ( 0.604 0.000 -0.707) 0.930 22.734 ( 1.239 0.000 2.517) 2.805 22.859 ( -1.629 0.000 -2.256) 2.783 23.041 ( 1.159 0.000 2.877) 3.102 23.225 ( -1.619 0.000 -3.621) 3.966 24.612 ( -0.258 0.000 1.842) 1.860 24.807 ( -0.351 0.000 -3.200) 3.219 24.838 ( -0.331 0.000 1.725) 1.756 24.958 ( -0.143 0.000 -1.298) 1.306 25.612 ( 2.496 0.000 0.790) 2.618 25.636 ( 1.247 0.000 -0.511) 1.348 26.014 ( 0.673 0.000 0.074) 0.677 26.019 ( 0.247 0.000 -0.367) 0.442 28.325 ( -0.896 0.000 0.827) 1.219 28.372 ( -1.367 0.000 0.096) 1.370 28.469 ( -0.233 0.000 2.211) 2.223 28.558 ( -0.038 0.000 -2.346) 2.346 28.617 ( 0.185 0.000 -0.625) 0.652 28.718 ( 1.185 0.000 -0.073) 1.187 28.790 ( 1.266 0.000 1.034) 1.635 28.965 ( 1.229 0.000 -2.422) 2.716 32.374 ( -1.992 0.000 1.140) 2.295 32.409 ( 0.463 0.000 -0.174) 0.495 32.442 ( -0.521 0.000 -1.324) 1.423 32.511 ( 2.375 0.000 -0.697) 2.475 35.422 ( -2.010 0.000 -0.180) 2.018 35.461 ( 1.063 0.000 0.102) 1.068 35.480 ( -1.007 0.000 1.210) 1.574 35.581 ( 0.562 0.000 -0.798) 0.976 88.838 ( -1.357 0.000 2.678) 3.002 88.988 ( -0.526 0.000 10.169) 10.183 89.070 ( -0.421 0.000 -2.995) 3.024 89.436 ( -4.728 0.000 -5.117) 6.967 97.679 ( -0.479 0.000 -0.315) 0.573 97.697 ( -0.342 0.000 -0.447) 0.562 97.796 ( 1.099 0.000 4.108) 4.253 97.899 ( -3.197 0.000 -1.083) 3.375 98.699 ( 0.442 0.000 0.140) 0.464 98.710 ( -0.625 0.000 -0.329) 0.707 98.733 ( -0.413 0.000 -0.389) 0.567 98.763 ( 1.687 0.000 0.072) 1.689 99.608 ( -0.643 0.000 -0.426) 0.771 99.625 ( 1.277 0.000 -0.511) 1.375 99.830 ( 1.541 0.000 8.285) 8.427 100.405 ( 1.658 0.000 -7.543) 7.723 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -15.369 0.000 -13.619) 20.535 1.131 ( -18.541 0.000 -0.570) 18.550 1.659 ( 7.424 0.000 -8.919) 11.605 1.826 ( -9.244 0.000 2.569) 9.594 1.949 ( 0.565 0.000 -2.321) 2.389 1.956 ( -9.442 0.000 2.635) 9.802 2.040 ( -3.791 0.000 -2.772) 4.696 2.128 ( 1.105 0.000 -1.751) 2.071 2.209 ( -0.288 0.000 2.388) 2.405 2.317 ( -5.086 0.000 -5.407) 7.423 2.343 ( -0.634 0.000 -2.234) 2.322 2.466 ( -0.149 0.000 1.244) 1.253 2.524 ( 7.049 0.000 -1.533) 7.213 2.544 ( 2.848 0.000 3.995) 4.906 2.660 ( 2.704 0.000 -2.831) 3.914 2.815 ( 3.026 0.000 -2.286) 3.793 2.849 ( -1.971 0.000 -3.922) 4.390 3.037 ( 2.747 0.000 5.195) 5.877 3.148 ( -0.387 0.000 0.562) 0.683 3.242 ( -0.834 0.000 4.759) 4.832 3.325 ( 3.939 0.000 -0.060) 3.940 3.352 ( 4.695 0.000 2.525) 5.330 3.466 ( -0.927 0.000 4.731) 4.821 3.733 ( -0.793 0.000 1.834) 1.998 4.373 ( -0.730 0.000 1.925) 2.059 4.504 ( -4.703 0.000 2.078) 5.142 4.706 ( 2.383 0.000 -1.092) 2.621 4.707 ( 3.627 0.000 1.306) 3.855 4.850 ( -1.790 0.000 -0.726) 1.931 4.865 ( 2.050 0.000 7.926) 8.187 5.043 ( -5.754 0.000 4.895) 7.554 5.053 ( 2.747 0.000 -2.078) 3.445 5.255 ( 11.937 0.000 -0.197) 11.939 5.441 ( 0.743 0.000 0.368) 0.829 5.508 ( 4.456 0.000 -6.249) 7.675 5.514 ( 1.610 0.000 3.676) 4.013 5.545 ( -6.231 0.000 -2.219) 6.615 5.650 ( 7.406 0.000 -1.805) 7.623 5.681 ( 6.242 0.000 6.477) 8.995 5.732 ( 9.149 0.000 -1.267) 9.236 5.805 ( -1.920 0.000 -5.537) 5.860 6.004 ( 0.305 0.000 4.369) 4.380 6.134 ( -3.465 0.000 -1.311) 3.705 6.155 ( -4.843 0.000 -3.013) 5.704 6.356 ( -2.221 0.000 3.123) 3.832 6.419 ( 0.761 0.000 4.100) 4.170 6.644 ( 2.931 0.000 2.835) 4.078 6.834 ( 5.053 0.000 5.993) 7.839 6.930 ( 5.155 0.000 3.042) 5.986 7.173 ( 3.953 0.000 -6.120) 7.286 7.225 ( -1.202 0.000 3.930) 4.110 7.256 ( 2.756 0.000 -5.672) 6.307 7.433 ( 13.299 0.000 -2.913) 13.615 7.478 ( 1.595 0.000 -12.576) 12.677 7.671 ( 0.925 0.000 16.888) 16.914 8.026 ( 2.056 0.000 -3.243) 3.840 8.114 ( 4.347 0.000 -1.316) 4.542 8.480 ( 7.551 0.000 -10.260) 12.739 8.724 ( 0.512 0.000 5.327) 5.352 8.736 ( -0.410 0.000 4.370) 4.390 8.927 ( -4.218 0.000 -3.637) 5.570 9.073 ( -2.030 0.000 -8.574) 8.812 9.147 ( -1.545 0.000 5.792) 5.995 9.391 ( 3.385 0.000 -3.873) 5.144 9.608 ( -12.629 0.000 -0.622) 12.644 9.669 ( -6.498 0.000 1.481) 6.664 9.802 ( -1.687 0.000 -2.766) 3.239 10.069 ( -3.035 0.000 0.029) 3.035 10.364 ( -4.845 0.000 4.693) 6.745 10.552 ( -2.518 0.000 -3.132) 4.018 10.782 ( 0.117 0.000 11.003) 11.003 11.175 ( -3.105 0.000 -7.242) 7.880 20.504 ( 0.488 0.000 0.350) 0.600 20.515 ( 0.365 0.000 -0.343) 0.501 20.796 ( 1.118 0.000 0.962) 1.475 20.845 ( 1.369 0.000 -0.747) 1.560 22.789 ( 1.544 0.000 2.979) 3.355 22.802 ( -1.915 0.000 -2.487) 3.139 23.092 ( 0.743 0.000 3.314) 3.396 23.147 ( -2.366 0.000 -4.052) 4.692 24.632 ( 0.156 0.000 1.897) 1.904 24.766 ( -0.513 0.000 -2.940) 2.984 24.851 ( -0.599 0.000 1.859) 1.953 24.938 ( -0.162 0.000 -1.630) 1.638 25.677 ( 4.422 0.000 -0.760) 4.487 25.689 ( 5.144 0.000 1.142) 5.269 26.029 ( 1.367 0.000 -0.520) 1.462 26.037 ( 1.554 0.000 0.828) 1.761 28.315 ( -1.414 0.000 0.950) 1.703 28.341 ( -2.331 0.000 0.234) 2.343 28.497 ( 0.322 0.000 2.585) 2.605 28.547 ( 1.338 0.000 -1.818) 2.257 28.617 ( 0.587 0.000 -0.597) 0.837 28.736 ( 1.276 0.000 -0.434) 1.348 28.819 ( 0.738 0.000 0.887) 1.154 28.954 ( 1.380 0.000 -3.890) 4.128 32.342 ( -2.709 0.000 1.346) 3.025 32.420 ( -0.386 0.000 -1.313) 1.369 32.422 ( 1.141 0.000 -0.839) 1.416 32.546 ( 2.482 0.000 -0.518) 2.536 35.384 ( -2.137 0.000 -0.196) 2.146 35.469 ( -1.602 0.000 0.955) 1.865 35.483 ( 1.039 0.000 0.697) 1.252 35.578 ( 0.013 0.000 -0.799) 0.799 88.838 ( -2.238 0.000 2.783) 3.571 89.016 ( -2.112 0.000 -2.486) 3.262 89.114 ( -1.304 0.000 17.606) 17.654 89.292 ( -4.273 0.000 -7.303) 8.461 97.665 ( -0.958 0.000 0.036) 0.959 97.682 ( -0.927 0.000 -0.361) 0.995 97.823 ( -3.731 0.000 -1.796) 4.141 97.864 ( 0.651 0.000 6.262) 6.295 98.693 ( -0.883 0.000 -0.202) 0.906 98.709 ( 0.608 0.000 0.036) 0.609 98.724 ( 0.261 0.000 -1.352) 1.377 98.800 ( 2.203 0.000 0.505) 2.261 99.593 ( -0.540 0.000 -0.486) 0.727 99.649 ( 1.989 0.000 -0.354) 2.020 99.941 ( 0.477 0.000 8.851) 8.864 100.331 ( 1.657 0.000 -12.012) 12.125 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -19.095 0.000 -7.148) 20.389 0.790 ( -22.461 0.000 1.302) 22.499 1.417 ( -38.277 0.000 11.236) 39.892 1.709 ( 6.152 0.000 -2.587) 6.673 1.874 ( -2.419 0.000 -1.868) 3.056 1.962 ( 3.907 0.000 -4.441) 5.915 2.008 ( 0.098 0.000 -6.466) 6.467 2.158 ( 2.651 0.000 -3.258) 4.200 2.224 ( -2.965 0.000 8.695) 9.187 2.271 ( 1.386 0.000 4.828) 5.023 2.322 ( 2.006 0.000 -4.532) 4.956 2.519 ( 3.819 0.000 0.984) 3.944 2.586 ( 2.970 0.000 -2.488) 3.874 2.602 ( -0.941 0.000 3.766) 3.882 2.718 ( 4.571 0.000 0.470) 4.595 2.807 ( 1.422 0.000 -1.918) 2.388 2.827 ( 2.238 0.000 -3.530) 4.179 3.147 ( 3.974 0.000 3.876) 5.552 3.158 ( 0.506 0.000 1.209) 1.311 3.269 ( -0.090 0.000 1.904) 1.906 3.353 ( 1.199 0.000 -2.419) 2.700 3.433 ( 3.141 0.000 -0.503) 3.181 3.469 ( -2.477 0.000 0.750) 2.589 3.715 ( -3.217 0.000 1.055) 3.386 4.406 ( 2.690 0.000 0.907) 2.839 4.427 ( -6.247 0.000 1.868) 6.520 4.732 ( 2.301 0.000 -1.479) 2.735 4.804 ( 5.529 0.000 1.723) 5.792 4.859 ( 2.599 0.000 0.317) 2.618 4.906 ( -3.820 0.000 1.878) 4.257 5.066 ( 1.210 0.000 3.074) 3.304 5.151 ( 5.798 0.000 11.240) 12.647 5.356 ( -7.919 0.000 -3.025) 8.477 5.399 ( 6.582 0.000 -1.778) 6.818 5.477 ( 0.575 0.000 -2.716) 2.777 5.510 ( 3.901 0.000 -5.879) 7.056 5.599 ( 4.666 0.000 2.499) 5.293 5.724 ( 0.515 0.000 -3.374) 3.413 5.770 ( 5.155 0.000 4.194) 6.646 5.875 ( 7.342 0.000 -1.148) 7.431 5.882 ( 8.622 0.000 0.500) 8.636 6.007 ( -3.906 0.000 0.440) 3.930 6.046 ( -1.073 0.000 -0.858) 1.374 6.072 ( -3.139 0.000 0.098) 3.141 6.333 ( -2.980 0.000 1.176) 3.204 6.455 ( -0.752 0.000 2.952) 3.046 6.650 ( -2.094 0.000 -3.617) 4.180 6.956 ( 4.540 0.000 -2.736) 5.300 7.061 ( 7.917 0.000 4.980) 9.353 7.184 ( 2.514 0.000 -1.894) 3.148 7.189 ( 0.675 0.000 -7.796) 7.825 7.290 ( 0.235 0.000 6.143) 6.147 7.382 ( 0.441 0.000 -6.669) 6.683 7.699 ( 18.683 0.000 -1.207) 18.722 7.971 ( 8.392 0.000 20.345) 22.008 8.040 ( 1.982 0.000 -0.748) 2.118 8.200 ( 7.037 0.000 0.027) 7.037 8.535 ( 9.614 0.000 -5.998) 11.331 8.749 ( -1.118 0.000 0.060) 1.119 8.765 ( -0.835 0.000 3.020) 3.134 8.817 ( -4.454 0.000 -2.645) 5.180 8.959 ( -1.802 0.000 -6.134) 6.393 9.166 ( -2.350 0.000 3.655) 4.345 9.362 ( -13.398 0.000 -2.285) 13.591 9.382 ( 3.236 0.000 -8.284) 8.894 9.579 ( -8.444 0.000 4.688) 9.658 9.716 ( -2.476 0.000 -6.521) 6.975 9.997 ( -5.517 0.000 0.623) 5.552 10.345 ( -5.437 0.000 7.362) 9.152 10.456 ( -4.739 0.000 -3.404) 5.835 10.918 ( 0.824 0.000 13.244) 13.270 11.047 ( -3.296 0.000 -5.920) 6.775 20.514 ( 0.441 0.000 0.123) 0.458 20.516 ( 0.388 0.000 -0.679) 0.783 20.826 ( 1.212 0.000 0.868) 1.491 20.863 ( 1.610 0.000 -0.646) 1.735 22.752 ( -1.324 0.000 -1.600) 2.077 22.839 ( 0.902 0.000 2.282) 2.454 23.074 ( -1.500 0.000 -3.192) 3.527 23.129 ( -0.129 0.000 2.461) 2.465 24.655 ( -0.242 0.000 3.029) 3.039 24.733 ( -0.271 0.000 -1.956) 1.975 24.856 ( -0.982 0.000 1.624) 1.898 24.922 ( 0.280 0.000 -1.403) 1.430 25.757 ( 5.690 0.000 -0.539) 5.715 25.792 ( 5.216 0.000 1.139) 5.339 26.048 ( 1.291 0.000 -0.272) 1.320 26.092 ( 2.572 0.000 4.166) 4.896 28.302 ( -1.395 0.000 1.478) 2.032 28.308 ( -2.004 0.000 0.648) 2.106 28.530 ( 0.047 0.000 2.825) 2.826 28.562 ( 2.386 0.000 -1.330) 2.732 28.623 ( 0.686 0.000 -0.251) 0.731 28.747 ( -0.248 0.000 0.628) 0.675 28.831 ( 0.790 0.000 -0.860) 1.168 28.919 ( 0.898 0.000 -7.385) 7.439 32.318 ( -2.044 0.000 1.413) 2.485 32.402 ( -0.019 0.000 -1.304) 1.304 32.425 ( 0.242 0.000 -0.584) 0.632 32.580 ( 2.056 0.000 -0.433) 2.101 35.351 ( -1.734 0.000 0.285) 1.757 35.451 ( -1.704 0.000 0.971) 1.961 35.511 ( 1.141 0.000 1.421) 1.823 35.566 ( -0.332 0.000 -0.805) 0.871 88.824 ( -2.685 0.000 2.452) 3.636 88.959 ( -2.009 0.000 -1.575) 2.553 89.155 ( -2.698 0.000 -6.957) 7.462 89.357 ( 2.624 0.000 28.761) 28.880 97.649 ( -1.042 0.000 0.192) 1.059 97.661 ( -1.003 0.000 -0.300) 1.047 97.748 ( -2.918 0.000 -1.521) 3.290 97.959 ( 1.524 0.000 8.691) 8.824 98.679 ( -0.681 0.000 -0.056) 0.683 98.708 ( -0.020 0.000 -2.350) 2.350 98.719 ( 0.568 0.000 -0.025) 0.569 98.840 ( 1.936 0.000 0.243) 1.952 99.583 ( -0.259 0.000 -0.146) 0.297 99.678 ( 2.073 0.000 -0.699) 2.187 100.023 ( -1.141 0.000 7.308) 7.397 100.175 ( -0.520 0.000 -22.017) 22.023 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -13.455 0.000 16.642) 21.400 0.456 ( -21.416 0.000 8.605) 23.081 0.937 ( -38.541 0.000 24.502) 45.670 1.775 ( 1.871 0.000 -4.948) 5.289 1.838 ( 1.060 0.000 1.095) 1.523 1.921 ( 1.110 0.000 -11.557) 11.610 1.982 ( 2.314 0.000 3.090) 3.861 2.143 ( 0.269 0.000 -1.304) 1.331 2.296 ( 1.057 0.000 -5.459) 5.560 2.304 ( -0.631 0.000 9.393) 9.414 2.408 ( 5.596 0.000 6.644) 8.687 2.586 ( 1.425 0.000 2.433) 2.820 2.596 ( -4.705 0.000 4.443) 6.471 2.599 ( 1.748 0.000 -0.463) 1.808 2.770 ( 0.862 0.000 0.775) 1.159 2.823 ( 2.286 0.000 -4.025) 4.629 2.858 ( 4.743 0.000 -0.434) 4.763 3.184 ( 0.585 0.000 1.291) 1.417 3.228 ( 2.029 0.000 0.475) 2.084 3.285 ( 0.930 0.000 0.053) 0.931 3.315 ( 0.343 0.000 -6.751) 6.760 3.400 ( -3.654 0.000 -3.871) 5.323 3.448 ( 0.985 0.000 -2.522) 2.708 3.648 ( -3.793 0.000 -2.717) 4.666 4.358 ( -4.102 0.000 1.753) 4.462 4.454 ( 2.405 0.000 -1.831) 3.022 4.731 ( -1.861 0.000 -1.133) 2.179 4.849 ( -4.335 0.000 1.284) 4.521 4.869 ( 0.634 0.000 1.371) 1.511 4.951 ( 5.647 0.000 1.163) 5.766 5.115 ( 1.469 0.000 1.766) 2.298 5.210 ( -1.824 0.000 -1.918) 2.647 5.323 ( -2.558 0.000 -2.379) 3.493 5.457 ( 3.924 0.000 -4.534) 5.996 5.481 ( 2.925 0.000 2.966) 4.166 5.515 ( 4.231 0.000 -5.216) 6.716 5.697 ( 3.627 0.000 2.622) 4.476 5.808 ( -4.932 0.000 -3.368) 5.972 5.820 ( 7.130 0.000 6.747) 9.816 5.899 ( 1.887 0.000 2.277) 2.958 5.968 ( -4.085 0.000 2.480) 4.779 5.977 ( 3.082 0.000 3.822) 4.910 6.081 ( 7.341 0.000 8.649) 11.345 6.147 ( 9.346 0.000 -2.636) 9.711 6.290 ( -2.907 0.000 0.002) 2.907 6.469 ( 0.472 0.000 0.320) 0.570 6.542 ( -3.408 0.000 -4.759) 5.853 6.964 ( 3.916 0.000 -7.603) 8.553 7.151 ( 2.991 0.000 -4.564) 5.457 7.159 ( -0.507 0.000 -5.855) 5.877 7.199 ( 1.024 0.000 -0.679) 1.228 7.320 ( 2.048 0.000 -4.119) 4.600 7.412 ( 1.237 0.000 11.308) 11.376 7.978 ( 10.368 0.000 4.061) 11.135 8.066 ( 1.508 0.000 0.084) 1.510 8.262 ( 7.423 0.000 10.772) 13.082 8.332 ( 1.970 0.000 2.894) 3.501 8.671 ( 3.191 0.000 6.673) 7.396 8.720 ( 1.648 0.000 -3.688) 4.039 8.752 ( 2.437 0.000 -2.174) 3.266 8.778 ( -1.536 0.000 3.529) 3.849 8.885 ( -1.185 0.000 -2.124) 2.432 9.111 ( -5.824 0.000 -0.747) 5.872 9.210 ( -2.684 0.000 0.774) 2.793 9.340 ( 5.828 0.000 -8.512) 10.316 9.490 ( -9.497 0.000 6.600) 11.565 9.609 ( 0.451 0.000 -8.032) 8.045 9.920 ( -2.747 0.000 -0.793) 2.859 10.331 ( -6.453 0.000 7.680) 10.031 10.343 ( -3.483 0.000 -3.012) 4.604 10.960 ( -0.786 0.000 -3.375) 3.465 11.035 ( -3.217 0.000 1.315) 3.475 20.518 ( 0.723 0.000 0.041) 0.724 20.520 ( 0.257 0.000 -0.062) 0.264 20.850 ( 0.558 0.000 0.707) 0.901 20.882 ( 1.242 0.000 -0.428) 1.314 22.727 ( -0.258 0.000 -0.535) 0.594 22.860 ( -0.376 0.000 0.663) 0.762 23.036 ( 0.033 0.000 -1.634) 1.635 23.137 ( -1.039 0.000 0.787) 1.303 24.720 ( 0.406 0.000 -0.650) 0.766 24.729 ( 3.741 0.000 8.100) 8.922 24.853 ( -1.064 0.000 1.239) 1.633 24.919 ( 0.688 0.000 -0.774) 1.036 25.841 ( 4.308 0.000 -0.138) 4.310 25.867 ( 2.706 0.000 0.147) 2.710 26.066 ( 0.726 0.000 0.639) 0.968 26.262 ( 9.691 0.000 8.592) 12.951 28.292 ( -1.212 0.000 1.379) 1.836 28.342 ( 4.872 0.000 6.550) 8.163 28.558 ( -0.453 0.000 3.740) 3.767 28.594 ( 2.889 0.000 -1.238) 3.143 28.632 ( 0.432 0.000 0.122) 0.449 28.733 ( -2.727 0.000 1.282) 3.013 28.773 ( -7.907 0.000 -12.554) 14.837 28.836 ( 1.804 0.000 -2.068) 2.744 32.302 ( -1.494 0.000 1.039) 1.820 32.392 ( 0.466 0.000 -1.231) 1.316 32.452 ( 2.721 0.000 4.787) 5.507 32.603 ( 1.210 0.000 -0.429) 1.283 35.336 ( -0.985 0.000 1.056) 1.444 35.438 ( -1.250 0.000 1.259) 1.775 35.537 ( 0.262 0.000 -1.010) 1.043 35.577 ( 2.533 0.000 1.655) 3.026 88.803 ( -2.435 0.000 1.702) 2.971 88.917 ( -1.122 0.000 -1.676) 2.017 89.078 ( 1.092 0.000 -3.988) 4.135 89.743 ( 4.898 0.000 3.886) 6.252 97.636 ( -0.729 0.000 0.208) 0.758 97.643 ( -0.626 0.000 -0.565) 0.843 97.702 ( -1.123 0.000 -0.629) 1.287 98.017 ( -5.957 0.000 -10.420) 12.003 98.677 ( -0.093 0.000 1.300) 1.304 98.689 ( 1.895 0.000 3.110) 3.642 98.727 ( 0.403 0.000 0.022) 0.403 98.863 ( 0.928 0.000 -0.549) 1.078 99.582 ( 0.052 0.000 0.581) 0.584 99.700 ( 1.639 0.000 -1.167) 2.012 99.808 ( -10.084 0.000 -16.437) 19.284 100.050 ( -3.336 0.000 4.464) 5.573 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -9.063 17.264 13.286) 23.594 0.725 ( 2.663 18.453 13.995) 23.313 1.119 ( -2.186 17.882 28.118) 33.394 1.694 ( 2.255 0.232 -7.700) 8.027 1.810 ( 0.284 2.647 -13.989) 14.241 1.957 ( 1.038 0.811 5.976) 6.119 2.052 ( 2.323 -1.032 2.745) 3.741 2.179 ( 1.263 -4.133 3.838) 5.779 2.242 ( 0.358 -1.190 -1.413) 1.882 2.320 ( -2.602 -1.079 5.693) 6.352 2.428 ( 2.724 -4.329 4.961) 7.126 2.562 ( -3.642 -1.572 2.608) 4.747 2.604 ( -1.353 -1.688 3.996) 4.544 2.688 ( -2.416 1.086 1.766) 3.184 2.778 ( 3.067 4.707 2.428) 6.121 2.884 ( 1.744 -2.300 2.637) 3.909 2.981 ( 2.616 6.293 -3.761) 7.784 3.154 ( -3.193 -2.550 -1.816) 4.471 3.191 ( -0.364 -1.978 -6.308) 6.621 3.225 ( 3.198 -0.070 -1.351) 3.473 3.263 ( 0.406 -2.066 -4.310) 4.797 3.332 ( -2.704 3.348 -6.201) 7.548 3.464 ( 0.174 3.202 -4.113) 5.215 3.535 ( -2.650 -0.574 -5.234) 5.894 4.409 ( 1.853 -3.569 -1.467) 4.281 4.503 ( 2.521 7.149 -11.423) 13.709 4.604 ( -5.199 -5.056 4.193) 8.377 4.795 ( 0.919 -3.351 -0.183) 3.479 4.891 ( -0.935 1.524 2.805) 3.326 5.011 ( -1.180 2.099 -0.883) 2.565 5.142 ( 0.208 -2.601 -0.118) 2.612 5.220 ( -4.963 2.191 6.108) 8.170 5.285 ( 1.048 0.707 4.837) 5.000 5.383 ( -1.590 -1.715 -7.794) 8.137 5.497 ( 1.044 -2.618 2.084) 3.505 5.545 ( 2.681 -1.932 -0.279) 3.317 5.627 ( 3.628 -7.440 1.062) 8.345 5.688 ( -0.632 -0.919 -2.124) 2.399 5.741 ( -1.300 -5.792 2.047) 6.280 5.920 ( -1.172 -0.421 0.276) 1.276 6.046 ( 1.369 5.248 -0.189) 5.427 6.098 ( -0.920 6.370 -2.504) 6.906 6.199 ( 2.278 -1.982 -2.001) 3.622 6.244 ( -2.533 -0.780 -2.104) 3.383 6.365 ( -4.291 3.050 1.204) 5.401 6.448 ( 0.446 2.644 0.980) 2.855 6.556 ( 5.741 -0.015 1.488) 5.931 6.945 ( 0.661 0.497 -8.100) 8.142 7.061 ( 0.465 -1.544 2.534) 3.003 7.127 ( -1.232 2.678 -0.810) 3.057 7.177 ( 3.301 1.424 -1.554) 3.916 7.323 ( -3.797 3.260 -3.174) 5.926 7.665 ( 5.323 1.643 12.346) 13.545 7.964 ( -2.351 -1.206 8.412) 8.817 8.068 ( -1.175 -3.236 3.119) 4.646 8.225 ( -12.140 1.364 2.208) 12.414 8.503 ( 7.699 -2.287 3.581) 8.793 8.644 ( -2.031 -2.244 -2.534) 3.947 8.679 ( 3.437 -3.154 1.414) 4.874 8.736 ( -6.802 0.461 0.862) 6.872 8.789 ( 1.195 -1.598 3.592) 4.110 8.946 ( 3.816 1.532 0.654) 4.163 9.094 ( -1.532 2.427 0.285) 2.884 9.213 ( -0.673 2.088 0.004) 2.194 9.384 ( -0.715 -1.641 3.609) 4.028 9.478 ( 1.227 -5.534 -8.862) 10.520 9.619 ( 1.620 3.262 -7.218) 8.085 9.927 ( -0.636 -3.233 -1.552) 3.642 10.231 ( 1.389 2.594 -0.315) 2.960 10.332 ( 3.997 0.782 -1.231) 4.255 10.669 ( -9.564 -3.088 5.240) 11.334 10.914 ( 3.180 -4.089 -1.239) 5.326 20.535 ( -0.010 1.531 -0.226) 1.548 20.674 ( 0.539 4.355 -7.964) 9.093 20.880 ( -0.359 2.051 0.043) 2.082 20.920 ( 0.244 2.228 -0.514) 2.299 22.750 ( 1.602 1.046 0.917) 2.122 22.841 ( -1.314 -0.049 -0.879) 1.582 23.049 ( 1.699 0.388 0.314) 1.771 23.109 ( -1.552 -0.376 -0.921) 1.843 24.703 ( 0.662 -2.119 0.482) 2.272 24.715 ( -1.033 -4.771 2.237) 5.370 24.880 ( -0.298 1.724 1.485) 2.295 24.950 ( 0.439 0.395 0.823) 1.013 25.887 ( 0.635 0.531 -0.039) 0.829 25.891 ( 0.071 0.524 -0.225) 0.575 26.101 ( -0.254 1.032 1.191) 1.596 26.319 ( -4.669 0.123 -4.711) 6.634 28.292 ( -0.640 -0.349 2.058) 2.183 28.407 ( -3.912 -4.380 3.117) 6.649 28.534 ( -0.310 0.515 0.240) 0.647 28.610 ( 2.897 -2.127 2.943) 4.645 28.643 ( 1.495 0.665 -0.659) 1.765 28.656 ( 3.669 -1.178 1.583) 4.166 28.690 ( -1.276 -0.817 0.615) 1.635 28.828 ( 1.394 -1.383 -1.990) 2.796 32.305 ( -0.771 1.053 0.975) 1.629 32.400 ( 0.943 0.621 -0.873) 1.428 32.495 ( 0.583 -2.660 3.367) 4.330 32.608 ( 0.148 -1.025 -1.018) 1.452 35.349 ( -0.162 0.693 1.675) 1.820 35.471 ( 0.630 0.598 -0.883) 1.239 35.522 ( -0.600 0.567 -1.399) 1.624 35.584 ( -1.263 0.168 -0.944) 1.586 88.761 ( -3.601 -1.350 1.379) 4.086 88.870 ( -9.802 -4.599 4.230) 11.624 88.917 ( -7.882 -1.523 2.685) 8.465 89.105 ( 3.130 -1.985 -0.439) 3.733 97.619 ( -0.128 0.123 -0.402) 0.439 97.642 ( 0.605 0.269 -0.731) 0.986 97.667 ( -3.596 -0.250 0.554) 3.647 97.693 ( 0.910 -0.464 0.078) 1.025 98.679 ( -0.325 0.186 0.747) 0.835 98.695 ( 0.547 -0.237 1.049) 1.206 98.903 ( -0.559 4.080 -1.405) 4.351 99.080 ( -3.146 11.385 -13.318) 17.801 99.606 ( -0.212 1.569 0.982) 1.863 99.720 ( 0.317 1.191 -1.413) 1.875 99.948 ( 11.250 -5.466 4.355) 13.244 99.993 ( 2.338 -2.822 0.947) 3.785 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 3.585 9.929 15.377) 18.652 0.994 ( 10.809 14.600 12.905) 22.283 1.503 ( 10.626 11.328 18.305) 24.006 1.677 ( 6.724 2.187 -9.940) 12.198 1.683 ( 2.822 3.932 -10.211) 11.300 2.033 ( 0.161 1.508 4.508) 4.756 2.090 ( 0.298 -3.892 3.423) 5.191 2.184 ( -3.404 -2.192 2.022) 4.526 2.288 ( -0.357 -2.904 4.154) 5.080 2.376 ( 1.378 -2.864 9.331) 9.857 2.498 ( -2.030 -0.981 5.130) 5.604 2.540 ( -1.446 -2.050 4.251) 4.936 2.595 ( -2.490 0.517 -1.556) 2.982 2.662 ( -2.708 -3.309 4.130) 5.945 2.844 ( 0.447 5.346 2.264) 5.823 2.923 ( 0.631 -3.161 1.118) 3.412 2.964 ( -1.625 5.620 -4.175) 7.187 3.060 ( -1.916 -1.822 -5.567) 6.163 3.119 ( -0.251 0.012 -2.920) 2.931 3.186 ( -0.588 -1.044 -8.065) 8.154 3.222 ( 0.559 0.799 -6.720) 6.790 3.286 ( 0.488 1.742 0.817) 1.985 3.376 ( -1.324 2.295 -7.981) 8.409 3.486 ( 1.121 1.005 -3.287) 3.616 4.388 ( -0.808 -0.324 -1.515) 1.747 4.462 ( 2.212 1.363 -3.614) 4.451 4.607 ( -1.999 -4.432 5.829) 7.590 4.772 ( -3.412 -4.282 -0.463) 5.495 4.891 ( -2.094 2.798 1.063) 3.653 4.959 ( -2.998 1.389 -0.390) 3.327 5.127 ( -8.279 -0.479 4.918) 9.641 5.183 ( -2.172 -1.683 2.977) 4.051 5.288 ( -0.216 -2.394 -5.602) 6.096 5.361 ( 1.178 0.188 3.158) 3.376 5.458 ( -5.051 -1.225 -3.436) 6.230 5.583 ( 1.734 -1.070 3.785) 4.298 5.675 ( -0.414 1.809 -1.075) 2.145 5.721 ( 3.518 -8.452 0.766) 9.187 5.765 ( 2.628 -3.888 0.823) 4.765 5.873 ( -2.308 -1.472 -2.362) 3.616 6.014 ( -2.110 2.840 -1.713) 3.931 6.108 ( 0.531 5.358 1.255) 5.528 6.137 ( -2.419 -0.879 -0.174) 2.580 6.176 ( -4.411 1.719 -2.460) 5.335 6.309 ( -3.873 5.603 1.356) 6.945 6.385 ( -3.267 1.202 -3.486) 4.926 6.678 ( 4.276 3.579 -1.057) 5.676 6.794 ( -4.158 2.503 -9.636) 10.789 7.043 ( -6.093 -1.088 -0.393) 6.202 7.119 ( -1.755 0.813 2.489) 3.152 7.199 ( 1.823 2.331 -2.788) 4.066 7.321 ( 5.061 -1.536 0.298) 5.297 7.759 ( -14.351 -0.415 -0.591) 14.369 7.888 ( -0.167 0.145 9.469) 9.472 8.093 ( -2.448 -0.604 6.041) 6.546 8.118 ( -9.600 0.001 8.279) 12.677 8.533 ( -7.174 -4.253 3.191) 8.929 8.565 ( -3.703 -2.444 -3.293) 5.526 8.638 ( -1.633 -1.030 -3.454) 3.957 8.778 ( -1.528 1.420 5.838) 6.199 8.870 ( 4.748 2.231 3.972) 6.580 9.041 ( 6.884 1.782 -1.319) 7.232 9.091 ( 2.640 0.298 -1.498) 3.050 9.252 ( 6.562 0.477 -0.122) 6.581 9.373 ( -2.848 -3.208 -1.066) 4.420 9.449 ( 5.384 -0.248 -0.701) 5.435 9.615 ( 5.582 1.099 -8.434) 10.173 9.887 ( -0.069 -1.997 -1.845) 2.720 10.286 ( 4.373 2.273 -0.079) 4.929 10.436 ( 7.665 -1.040 0.178) 7.737 10.617 ( -3.130 -1.341 3.234) 4.696 10.993 ( 7.000 -5.023 -0.139) 8.617 20.529 ( -0.491 1.426 -0.074) 1.510 20.594 ( -1.777 3.563 -3.501) 5.302 20.865 ( -1.670 1.911 0.324) 2.558 20.909 ( -0.981 1.504 -0.116) 1.799 22.793 ( -0.189 0.527 -0.031) 0.561 22.803 ( 0.424 0.851 -0.016) 0.951 23.062 ( -1.663 -0.334 -1.622) 2.347 23.103 ( 3.114 -0.269 1.083) 3.308 24.691 ( -2.881 -3.075 0.463) 4.239 24.723 ( 0.400 -3.208 1.061) 3.403 24.895 ( -0.018 2.067 1.549) 2.583 24.961 ( 0.555 1.020 0.184) 1.176 25.855 ( -4.008 0.498 -0.144) 4.041 25.868 ( -2.954 0.706 -0.024) 3.037 26.101 ( -2.042 0.082 2.033) 2.883 26.189 ( -5.184 2.111 -1.068) 5.699 28.306 ( -0.311 -0.335 2.039) 2.090 28.354 ( -3.922 -0.735 2.241) 4.577 28.526 ( -1.260 0.460 0.259) 1.366 28.624 ( -0.861 0.936 -0.330) 1.314 28.640 ( -0.779 -1.048 0.911) 1.593 28.684 ( 1.339 -0.660 -0.403) 1.546 28.810 ( 7.466 -5.492 -1.034) 9.326 28.824 ( 0.865 -1.507 -1.794) 2.498 32.306 ( -0.327 1.089 0.908) 1.455 32.409 ( 1.283 0.784 -0.943) 1.774 32.516 ( -1.509 -2.204 2.304) 3.528 32.589 ( -0.896 -0.840 -1.111) 1.656 35.372 ( 0.452 0.496 2.125) 2.229 35.462 ( -0.788 -0.277 -0.302) 0.888 35.502 ( -0.223 1.649 -0.744) 1.823 35.561 ( 0.023 0.425 -0.843) 0.944 88.717 ( -2.157 0.175 2.900) 3.619 88.794 ( -3.061 -0.849 3.065) 4.414 88.923 ( 3.606 1.064 -1.166) 3.936 89.216 ( 7.428 -3.139 2.683) 8.498 97.622 ( 1.188 0.032 -0.685) 1.372 97.649 ( 1.130 0.515 -0.362) 1.294 97.661 ( 1.068 -0.591 -0.045) 1.221 97.728 ( 2.891 -0.770 0.530) 3.038 98.684 ( -0.256 0.073 0.833) 0.874 98.716 ( 0.697 -0.559 0.858) 1.239 98.864 ( -2.091 4.606 -1.193) 5.197 98.938 ( -3.066 7.682 -4.138) 9.249 99.620 ( 0.133 1.711 1.459) 2.253 99.708 ( -0.017 0.689 -1.420) 1.578 99.877 ( -5.852 -1.257 -2.186) 6.372 100.227 ( 11.117 -8.506 -1.318) 14.060 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 13.062 2.652 12.225) 18.086 1.312 ( 12.661 10.603 8.491) 18.570 1.606 ( 9.040 6.244 -12.841) 16.899 1.678 ( 8.032 3.785 -10.712) 13.914 1.827 ( 2.516 3.542 6.256) 7.617 2.057 ( 0.371 1.417 0.864) 1.701 2.151 ( -3.347 -3.038 5.559) 7.164 2.196 ( 2.592 -1.437 6.663) 7.292 2.325 ( 0.098 -2.275 5.157) 5.637 2.442 ( -4.021 1.050 1.877) 4.560 2.489 ( -2.043 -5.996 2.058) 6.661 2.530 ( -2.285 -0.140 3.409) 4.106 2.619 ( -0.229 1.748 5.827) 6.088 2.664 ( -1.437 -1.385 3.114) 3.698 2.833 ( -1.111 4.859 -2.009) 5.374 2.860 ( -1.933 2.153 -4.175) 5.080 2.932 ( 0.627 -2.325 -1.552) 2.865 2.993 ( 0.310 -3.987 -4.637) 6.124 3.075 ( -1.849 -2.206 -1.104) 3.083 3.128 ( -2.982 0.675 -0.367) 3.080 3.197 ( 0.095 5.120 -0.657) 5.163 3.257 ( -0.888 0.133 -3.756) 3.862 3.309 ( 1.206 2.357 -3.306) 4.236 3.484 ( 3.269 1.577 -3.958) 5.370 4.388 ( 1.081 -2.125 0.705) 2.486 4.463 ( -0.153 -0.685 0.101) 0.709 4.636 ( -1.659 -2.945 4.594) 5.703 4.686 ( -5.319 -3.304 -0.915) 6.328 4.848 ( -2.761 0.328 -0.288) 2.795 4.926 ( -1.787 1.388 1.159) 2.543 5.028 ( -6.166 0.428 1.609) 6.387 5.174 ( -2.598 -1.845 0.838) 3.295 5.249 ( 1.356 -2.778 -3.899) 4.975 5.311 ( -5.373 1.705 -0.889) 5.707 5.421 ( -0.126 -3.762 1.641) 4.107 5.600 ( -3.787 -1.433 -0.076) 4.050 5.631 ( -2.945 -0.493 1.052) 3.166 5.718 ( -3.914 -0.619 -5.465) 6.751 5.760 ( -1.141 -4.168 -0.591) 4.362 5.856 ( 0.259 -2.295 1.198) 2.602 5.985 ( -8.743 1.323 3.110) 9.374 6.071 ( -1.171 0.238 5.187) 5.323 6.084 ( -0.366 0.122 -1.644) 1.689 6.208 ( 4.387 4.903 1.563) 6.762 6.234 ( -4.736 5.329 0.496) 7.146 6.297 ( -1.793 -1.858 -4.736) 5.394 6.589 ( -4.196 0.409 -7.699) 8.778 6.736 ( -0.410 8.849 -1.627) 9.006 6.888 ( -7.942 -4.742 -0.744) 9.279 7.133 ( -1.399 -1.990 0.625) 2.512 7.220 ( 3.431 2.566 -2.089) 4.767 7.342 ( -1.734 4.359 -4.146) 6.261 7.537 ( -6.620 2.123 1.740) 7.167 7.954 ( -7.887 -1.794 9.855) 12.749 8.035 ( -11.124 0.378 8.680) 14.115 8.113 ( -0.966 -2.788 3.658) 4.700 8.420 ( -10.870 -0.560 4.025) 11.605 8.446 ( -1.082 0.721 -7.851) 7.958 8.595 ( 0.213 -1.671 -2.410) 2.940 8.808 ( 0.046 -0.772 3.290) 3.379 8.930 ( -1.798 4.479 1.080) 4.945 9.123 ( 4.371 4.505 3.338) 7.110 9.150 ( 3.572 -4.809 -2.525) 6.500 9.305 ( 2.555 1.709 -3.329) 4.531 9.475 ( 12.110 2.498 0.358) 12.370 9.535 ( 9.285 -0.527 -6.807) 11.525 9.638 ( 4.685 1.400 -0.047) 4.890 9.904 ( 4.428 -2.566 -2.783) 5.825 10.362 ( 2.476 -0.131 3.561) 4.339 10.546 ( 4.047 -1.491 0.388) 4.330 10.606 ( -1.003 -2.057 1.134) 2.554 11.126 ( 8.196 -6.693 0.100) 10.582 20.518 ( -0.756 1.301 -0.025) 1.505 20.546 ( -1.149 1.990 -1.188) 2.587 20.834 ( -2.333 1.665 0.371) 2.890 20.888 ( -1.419 0.933 -0.124) 1.703 22.746 ( -1.679 0.876 -1.746) 2.576 22.852 ( 1.780 0.106 1.548) 2.361 23.019 ( -1.177 0.187 -1.457) 1.882 23.174 ( 3.450 -1.074 1.213) 3.812 24.644 ( -2.965 -1.828 0.391) 3.505 24.734 ( -0.375 -4.372 0.813) 4.462 24.913 ( 0.651 3.059 1.091) 3.312 24.974 ( 0.840 1.497 -0.264) 1.736 25.766 ( -5.945 0.632 -0.224) 5.983 25.801 ( -4.932 0.788 0.232) 5.000 26.073 ( -2.872 0.141 0.730) 2.967 26.122 ( -3.744 0.508 1.050) 3.921 28.322 ( -0.132 -0.252 1.202) 1.235 28.330 ( -1.066 -0.013 1.559) 1.889 28.504 ( -1.765 0.581 0.444) 1.910 28.615 ( -0.416 0.249 0.727) 0.874 28.633 ( -0.880 -1.000 0.259) 1.357 28.695 ( 0.802 0.312 -0.974) 1.299 28.803 ( -0.300 -1.498 -2.126) 2.618 28.893 ( 4.239 -3.900 -1.738) 6.017 32.315 ( 0.331 0.935 0.796) 1.271 32.423 ( 1.470 0.647 -0.813) 1.800 32.501 ( -2.491 -1.212 1.433) 3.119 32.560 ( -1.095 -0.425 -1.169) 1.657 35.406 ( 0.715 0.188 2.193) 2.314 35.446 ( -0.431 -0.627 -0.632) 0.989 35.497 ( -0.225 1.736 0.219) 1.764 35.562 ( 1.030 0.252 -0.924) 1.406 88.748 ( 1.839 -0.146 2.022) 2.737 88.792 ( -0.630 -0.856 1.826) 2.113 88.988 ( 5.163 1.344 -0.903) 5.411 89.376 ( 6.153 -4.674 4.638) 9.012 97.641 ( 1.778 -0.294 -0.421) 1.851 97.671 ( 1.511 0.405 0.046) 1.565 97.679 ( 1.316 -0.704 -0.663) 1.633 97.797 ( 3.917 -1.603 1.434) 4.468 98.687 ( -0.085 -0.150 0.296) 0.343 98.734 ( 0.477 -0.343 0.606) 0.843 98.819 ( -2.385 4.546 -0.056) 5.134 98.864 ( -2.642 4.670 -1.590) 5.596 99.634 ( -0.239 1.557 0.776) 1.755 99.689 ( -0.951 0.312 -0.593) 1.164 99.760 ( -3.412 0.999 -3.586) 5.049 100.340 ( 5.715 -6.900 -2.281) 9.245 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 10.979 2.005 7.505) 13.450 1.536 ( 11.695 6.393 -5.756) 14.518 1.680 ( 7.686 3.972 -4.087) 9.569 1.705 ( 7.829 5.100 -6.395) 11.323 1.865 ( 2.872 1.854 -0.312) 3.433 2.049 ( -0.859 2.553 -2.825) 3.904 2.160 ( -1.634 -2.785 5.062) 6.004 2.233 ( -2.428 0.505 -1.614) 2.959 2.300 ( -2.205 -4.248 -1.648) 5.062 2.430 ( -3.688 -0.628 -3.136) 4.881 2.497 ( 0.920 -1.013 3.119) 3.406 2.530 ( -1.404 0.161 3.637) 3.901 2.576 ( -4.410 3.210 1.567) 5.675 2.703 ( -0.739 0.685 -0.287) 1.048 2.797 ( 1.564 -0.679 -4.930) 5.217 2.854 ( -1.675 3.102 3.857) 5.225 2.930 ( 0.824 -4.384 -1.311) 4.649 2.984 ( 2.893 -1.170 0.483) 3.158 3.037 ( -2.763 -0.016 -0.200) 2.770 3.103 ( -2.382 -0.658 5.270) 5.821 3.152 ( -1.641 -0.958 2.040) 2.788 3.225 ( -3.215 2.312 0.161) 3.963 3.328 ( 1.131 4.719 1.604) 5.111 3.523 ( 6.664 0.440 -3.581) 7.578 4.422 ( -0.835 -1.718 3.377) 3.880 4.458 ( 0.069 -3.104 0.524) 3.149 4.596 ( -4.482 -2.829 -0.164) 5.303 4.643 ( -2.557 -2.528 3.237) 4.838 4.802 ( -2.959 -0.436 0.933) 3.133 4.933 ( 0.972 0.497 1.204) 1.625 4.972 ( 0.485 -1.041 -2.923) 3.141 5.109 ( -4.959 0.397 -0.331) 4.986 5.239 ( -1.707 2.747 -0.745) 3.319 5.251 ( -0.224 -0.799 0.008) 0.830 5.413 ( -3.107 -8.042 0.117) 8.622 5.523 ( -4.263 -3.271 -1.051) 5.475 5.552 ( -1.609 -2.958 -2.106) 3.972 5.597 ( -5.637 -1.185 0.631) 5.795 5.748 ( -2.033 2.030 1.547) 3.263 5.800 ( -10.775 0.037 1.324) 10.856 5.881 ( -3.575 -0.332 3.366) 4.921 5.972 ( -5.314 -0.425 -4.556) 7.013 6.131 ( 0.151 -1.028 1.609) 1.915 6.236 ( 1.942 -1.772 -4.159) 4.921 6.292 ( 3.001 6.915 2.714) 8.012 6.323 ( 5.800 -2.122 7.677) 9.853 6.462 ( -1.652 1.434 -5.496) 5.915 6.690 ( -2.957 5.967 0.246) 6.664 6.784 ( -6.087 -1.996 0.407) 6.419 7.031 ( -6.056 -2.389 -3.078) 7.201 7.260 ( 2.958 1.714 -0.425) 3.445 7.313 ( 1.733 5.482 -1.073) 5.848 7.525 ( 0.855 6.063 0.241) 6.127 7.850 ( -9.268 -1.317 0.473) 9.374 7.929 ( -12.770 2.821 8.347) 15.515 8.118 ( -1.255 -3.719 0.229) 3.932 8.258 ( -6.514 -0.798 -4.875) 8.175 8.434 ( 2.642 3.057 1.415) 4.281 8.590 ( 0.404 -0.953 -0.060) 1.037 8.794 ( -4.885 1.533 -0.783) 5.179 8.912 ( 0.631 -0.199 0.766) 1.013 9.171 ( 3.678 -4.720 -2.340) 6.425 9.206 ( 1.458 9.321 0.589) 9.453 9.324 ( 3.493 3.455 -2.404) 5.470 9.616 ( 10.396 -0.728 -4.754) 11.455 9.670 ( 7.546 1.830 0.443) 7.777 9.751 ( 4.897 -1.284 3.599) 6.211 9.955 ( 5.408 -2.712 -3.387) 6.933 10.437 ( 1.386 -1.743 4.131) 4.693 10.550 ( -2.837 -1.509 0.732) 3.296 10.629 ( 1.516 -1.504 0.780) 2.273 11.239 ( 5.446 -7.651 -1.229) 9.472 20.506 ( -0.494 1.294 -0.120) 1.390 20.526 ( -0.621 1.122 -0.165) 1.293 20.801 ( -2.031 1.307 0.455) 2.458 20.863 ( -1.223 0.533 -0.280) 1.363 22.712 ( -0.819 0.915 -0.493) 1.323 22.884 ( 0.826 -0.858 0.455) 1.275 22.999 ( -0.203 0.893 -0.303) 0.965 23.231 ( 2.360 -1.668 -0.020) 2.890 24.607 ( -2.215 -1.318 0.792) 2.696 24.729 ( -0.809 -4.992 0.307) 5.066 24.937 ( 0.990 3.742 0.398) 3.891 24.981 ( 0.731 1.785 -0.737) 2.066 25.670 ( -4.779 1.090 -0.209) 4.906 25.720 ( -4.818 0.729 0.330) 4.884 26.034 ( -2.042 -0.014 0.016) 2.042 26.072 ( -3.563 -0.228 0.899) 3.682 28.324 ( -0.410 0.135 0.965) 1.057 28.352 ( 1.138 -0.130 0.932) 1.476 28.481 ( -1.595 0.696 0.725) 1.885 28.608 ( -0.832 -1.403 -0.883) 1.854 28.627 ( -0.406 -0.172 1.055) 1.143 28.695 ( 0.451 1.553 -0.450) 1.679 28.772 ( -0.455 -1.572 -2.021) 2.600 28.927 ( 2.263 -2.808 -1.594) 3.943 32.334 ( 1.020 0.503 0.635) 1.303 32.435 ( 0.285 -0.426 -0.363) 0.628 32.474 ( -1.355 0.127 0.504) 1.452 32.529 ( -1.073 0.303 -1.220) 1.653 35.436 ( 0.279 -0.370 0.188) 0.500 35.438 ( 0.282 -0.226 0.997) 1.061 35.495 ( -0.401 1.459 0.370) 1.558 35.571 ( 1.089 0.183 -0.847) 1.391 88.798 ( 0.398 -0.739 2.278) 2.428 88.815 ( 1.460 -1.178 2.253) 2.932 89.061 ( 4.641 1.564 -1.260) 5.057 89.487 ( 1.551 -5.271 3.245) 6.381 97.668 ( 1.694 -0.510 -0.285) 1.792 97.690 ( 1.023 -0.305 -0.627) 1.239 97.698 ( 1.190 0.103 0.742) 1.407 97.872 ( 2.574 -2.624 1.701) 4.051 98.689 ( 0.292 0.026 -0.019) 0.294 98.744 ( 0.303 0.117 0.114) 0.345 98.785 ( -1.951 3.975 0.312) 4.439 98.812 ( -2.353 3.056 -0.360) 3.873 99.613 ( -1.661 -0.115 -0.901) 1.893 99.678 ( 0.115 -0.317 0.276) 0.436 99.713 ( 0.070 4.438 -0.601) 4.479 100.383 ( 3.171 -5.747 -3.142) 7.277 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.17 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.728 3.306 2.304) 4.095 1.630 ( 6.473 1.184 -10.996) 12.815 1.684 ( 4.769 3.732 -5.471) 8.161 1.747 ( 2.887 6.888 -5.798) 9.455 1.957 ( 0.897 0.486 -0.618) 1.193 2.022 ( 5.772 2.010 -1.372) 6.264 2.125 ( -1.186 0.752 -4.811) 5.012 2.231 ( 2.419 -1.964 2.340) 3.897 2.280 ( -1.250 -1.558 1.121) 2.291 2.328 ( -1.200 0.972 -1.946) 2.484 2.463 ( -7.158 2.580 -1.436) 7.743 2.494 ( -3.557 -0.663 -0.729) 3.691 2.572 ( 0.400 -1.444 0.499) 1.579 2.648 ( -0.808 -1.112 -6.046) 6.200 2.736 ( -0.883 0.870 -6.963) 7.073 2.810 ( -3.580 -0.569 -0.467) 3.654 2.923 ( -2.889 -0.347 3.221) 4.340 3.040 ( 0.540 -1.541 0.203) 1.646 3.093 ( 2.256 -0.597 8.033) 8.365 3.120 ( 0.746 -0.009 3.029) 3.120 3.158 ( -4.681 1.816 3.048) 5.873 3.216 ( 1.479 -0.366 4.379) 4.636 3.373 ( 0.370 4.927 5.861) 7.666 3.613 ( 6.622 -0.479 -1.427) 6.791 4.404 ( -4.308 -1.056 3.649) 5.744 4.504 ( 2.033 -4.901 1.584) 5.537 4.538 ( -2.045 -2.282 0.353) 3.085 4.631 ( -2.016 -2.589 2.608) 4.192 4.771 ( -2.968 -0.228 1.769) 3.463 4.958 ( 1.648 0.076 0.323) 1.681 4.989 ( 5.268 -2.280 -4.142) 7.078 5.031 ( -3.825 0.623 0.587) 3.919 5.186 ( -3.658 3.818 1.055) 5.392 5.288 ( 3.057 -1.436 1.726) 3.793 5.353 ( -0.718 -5.241 -1.276) 5.442 5.483 ( -2.149 -6.254 1.232) 6.727 5.519 ( -3.338 -0.344 0.615) 3.412 5.568 ( -0.385 -6.708 0.488) 6.737 5.655 ( -2.354 0.311 -0.218) 2.384 5.729 ( -4.328 2.639 0.830) 5.137 5.800 ( -3.540 -1.269 -0.195) 3.766 5.939 ( 1.547 3.794 0.932) 4.202 6.160 ( 1.011 -3.937 2.843) 4.960 6.251 ( 3.002 -1.300 -2.247) 3.969 6.333 ( -3.352 0.075 -3.419) 4.788 6.367 ( 1.105 5.767 4.137) 7.183 6.554 ( 6.483 -2.533 6.117) 9.267 6.661 ( -1.831 8.852 3.195) 9.588 6.686 ( -5.390 -3.960 0.779) 6.733 6.953 ( 0.105 -2.735 -1.889) 3.326 7.299 ( 2.119 -0.512 -0.744) 2.303 7.318 ( 0.421 4.187 -1.807) 4.580 7.526 ( -0.064 9.202 -2.875) 9.641 7.701 ( -5.684 -0.376 -4.525) 7.275 7.807 ( -8.567 6.828 3.780) 11.589 8.070 ( -2.535 -2.608 -4.123) 5.498 8.144 ( -0.120 0.017 -4.087) 4.088 8.522 ( 1.815 2.080 5.756) 6.384 8.592 ( 0.347 -0.206 -0.852) 0.943 8.703 ( -1.236 2.797 -2.870) 4.193 8.938 ( 0.075 -2.035 1.531) 2.548 9.202 ( -0.314 7.061 -1.607) 7.248 9.221 ( 4.104 -2.675 -1.688) 5.182 9.348 ( 0.843 4.507 -0.852) 4.663 9.730 ( 5.255 -0.048 -0.577) 5.287 9.751 ( 2.251 -0.705 0.286) 2.376 9.838 ( 1.490 -1.549 2.086) 2.995 10.003 ( 4.180 -2.912 -2.958) 5.890 10.465 ( -1.914 -0.957 -0.728) 2.261 10.525 ( -1.541 -3.048 4.418) 5.584 10.657 ( 0.127 -0.209 2.220) 2.233 11.269 ( 1.622 -7.344 -3.968) 8.504 20.502 ( 0.061 1.368 0.147) 1.377 20.519 ( -0.203 0.696 0.077) 0.729 20.781 ( -0.926 1.036 0.610) 1.517 20.844 ( -0.438 0.298 -0.500) 0.729 22.711 ( 0.311 0.949 1.168) 1.537 22.891 ( -0.134 -0.677 -0.436) 0.817 23.002 ( 0.415 0.510 0.737) 0.988 23.244 ( 0.347 -1.981 -1.925) 2.784 24.590 ( -1.167 -1.256 1.284) 2.142 24.718 ( -0.491 -5.141 -0.122) 5.166 24.944 ( 0.008 4.424 -0.787) 4.493 24.985 ( 0.632 1.658 -0.673) 1.898 25.616 ( -1.485 1.459 0.197) 2.091 25.659 ( -2.408 0.814 0.024) 2.541 26.010 ( -0.714 -0.258 -0.059) 0.761 26.032 ( -1.737 -0.202 0.211) 1.761 28.328 ( -0.367 0.234 0.877) 0.979 28.375 ( 0.205 -0.268 0.767) 0.838 28.470 ( -0.803 0.804 1.029) 1.533 28.580 ( -0.477 -1.023 -2.017) 2.311 28.626 ( -0.580 0.011 0.260) 0.635 28.704 ( 0.485 1.066 0.202) 1.189 28.757 ( 0.836 -1.301 -0.666) 1.684 28.938 ( 1.154 -2.517 -1.659) 3.228 32.360 ( 1.267 -0.040 0.456) 1.347 32.414 ( -2.131 -1.255 0.217) 2.483 32.477 ( 0.523 1.304 -0.278) 1.432 32.504 ( 0.066 0.727 -1.182) 1.390 35.438 ( 0.232 -0.398 -0.122) 0.476 35.448 ( -0.693 -0.184 0.645) 0.964 35.495 ( -0.118 1.391 0.693) 1.559 35.578 ( 0.833 0.048 -0.781) 1.143 88.817 ( -0.546 -0.817 2.259) 2.464 88.873 ( 0.773 -2.248 4.355) 4.961 89.105 ( 2.387 1.876 -1.604) 3.433 89.490 ( -2.402 -4.405 -0.928) 5.102 97.682 ( 0.433 -0.303 -0.512) 0.735 97.700 ( 0.562 -0.021 -0.278) 0.627 97.731 ( 1.135 -0.590 1.990) 2.366 97.903 ( -0.365 -2.878 0.375) 2.925 98.696 ( 0.391 0.467 0.148) 0.627 98.747 ( -0.268 1.197 -0.168) 1.239 98.767 ( 0.129 2.600 0.034) 2.603 98.778 ( -1.650 2.295 0.198) 2.834 99.594 ( 0.083 -0.327 0.070) 0.344 99.673 ( -0.430 1.661 -0.885) 1.931 99.747 ( 1.460 2.554 4.056) 5.010 100.382 ( 1.753 -5.313 -4.697) 7.305 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -12.745 1.843 -3.748) 13.412 1.497 ( -9.341 3.549 -8.573) 13.166 1.673 ( 7.473 3.871 -12.299) 14.903 1.817 ( 9.836 4.486 -3.807) 11.461 1.940 ( -0.241 1.872 0.250) 1.904 2.057 ( -3.457 1.392 6.021) 7.081 2.122 ( 1.743 -0.812 -6.705) 6.976 2.220 ( -2.598 -0.386 -4.671) 5.359 2.263 ( -1.044 -2.861 -3.901) 4.949 2.354 ( 3.777 0.230 4.384) 5.792 2.381 ( -2.497 2.823 0.979) 3.894 2.446 ( -0.896 -0.390 -2.083) 2.301 2.507 ( -2.125 0.745 -3.062) 3.801 2.576 ( -5.979 0.658 0.337) 6.024 2.646 ( -0.447 -1.132 -4.805) 4.957 2.792 ( 2.457 -0.413 -1.540) 2.929 2.925 ( -0.178 1.334 -1.321) 1.885 2.993 ( -3.668 -0.401 2.484) 4.448 3.114 ( -1.689 -2.736 2.561) 4.110 3.179 ( 2.041 -0.723 3.111) 3.791 3.241 ( 1.160 1.574 6.240) 6.539 3.279 ( 2.035 1.202 4.517) 5.098 3.459 ( 1.614 4.347 5.958) 7.549 3.695 ( 3.284 -0.422 0.761) 3.397 4.376 ( -3.048 -0.793 2.688) 4.141 4.488 ( -2.940 -3.956 1.704) 5.215 4.579 ( 2.964 -3.812 1.030) 4.937 4.643 ( -0.469 -3.355 2.893) 4.454 4.751 ( -0.215 -1.812 0.926) 2.046 4.980 ( -3.186 3.066 0.970) 4.527 5.011 ( 3.494 -2.066 -3.432) 5.315 5.059 ( 8.178 0.001 -0.398) 8.188 5.140 ( -3.677 2.514 2.264) 4.996 5.362 ( 1.114 -3.235 2.132) 4.031 5.387 ( 5.621 -4.092 1.527) 7.118 5.473 ( 1.509 -1.442 -1.336) 2.478 5.525 ( 1.391 -3.505 2.478) 4.512 5.561 ( 1.974 -3.893 0.905) 4.457 5.604 ( -1.926 -0.696 -3.017) 3.646 5.695 ( 0.451 1.718 -1.170) 2.127 5.816 ( -0.054 -0.153 2.788) 2.792 6.007 ( 3.790 3.961 2.259) 5.929 6.157 ( -2.624 -3.405 -3.132) 5.319 6.248 ( -2.542 -0.431 1.833) 3.163 6.306 ( 3.198 -0.386 1.393) 3.510 6.406 ( -2.302 3.432 4.740) 6.288 6.637 ( -0.053 -0.581 1.843) 1.933 6.668 ( 2.935 2.796 2.584) 4.807 6.759 ( 4.476 -1.341 6.636) 8.116 6.982 ( 5.773 -5.482 -3.319) 8.626 7.299 ( -0.215 -0.951 -0.287) 1.017 7.325 ( 2.617 0.890 -1.088) 2.971 7.453 ( -1.585 10.171 -6.844) 12.362 7.563 ( -3.935 1.487 -6.706) 7.916 7.752 ( -2.546 9.179 3.449) 10.131 7.998 ( -0.139 -1.530 -3.607) 3.920 8.140 ( 3.397 2.151 -3.112) 5.084 8.538 ( 1.781 2.473 -4.309) 5.278 8.649 ( 2.303 0.564 4.172) 4.799 8.702 ( 0.562 1.284 2.097) 2.522 8.933 ( -1.760 -2.280 -0.201) 2.888 9.176 ( -1.965 3.673 0.602) 4.209 9.244 ( 2.125 2.142 -5.156) 5.974 9.343 ( -0.930 0.747 1.485) 1.905 9.729 ( -2.554 0.260 -1.189) 2.829 9.766 ( -3.675 -1.672 0.354) 4.053 9.849 ( -0.802 0.730 0.618) 1.248 10.032 ( 1.994 -4.238 -1.478) 4.911 10.400 ( -5.160 -0.622 1.306) 5.358 10.555 ( 0.931 -2.396 0.318) 2.590 10.689 ( -1.126 -0.467 5.802) 5.928 11.217 ( -1.141 -6.529 -6.148) 9.040 20.507 ( 0.097 1.140 0.261) 1.174 20.524 ( 0.788 1.031 0.166) 1.308 20.785 ( 0.467 1.009 0.767) 1.351 20.840 ( 0.644 0.287 -0.677) 0.978 22.745 ( 1.254 0.990 2.497) 2.964 22.865 ( -1.414 0.432 -1.921) 2.424 23.032 ( 1.032 -0.661 2.394) 2.690 23.204 ( -1.453 -1.859 -3.480) 4.204 24.594 ( -0.166 -1.340 1.588) 2.085 24.711 ( -0.004 -4.837 -0.616) 4.876 24.927 ( -0.883 4.125 -0.708) 4.277 24.981 ( -0.074 1.881 -1.092) 2.177 25.626 ( 1.841 1.200 0.529) 2.260 25.651 ( 1.851 1.203 -0.286) 2.226 26.012 ( 0.798 -0.175 0.214) 0.845 26.022 ( 0.624 0.164 -0.228) 0.684 28.327 ( -1.027 0.156 0.887) 1.366 28.369 ( -1.699 -0.315 0.624) 1.837 28.478 ( 0.188 0.833 1.472) 1.701 28.557 ( 0.488 -0.081 -2.076) 2.134 28.619 ( -0.109 0.175 -0.394) 0.445 28.710 ( 0.932 -0.730 -0.798) 1.428 28.784 ( 1.345 -0.441 1.245) 1.885 28.931 ( 0.521 -2.915 -2.234) 3.709 32.368 ( -1.828 -0.389 0.767) 2.020 32.397 ( 0.908 -0.818 -0.292) 1.257 32.463 ( -0.807 1.534 -0.835) 1.924 32.518 ( 2.032 0.472 -0.618) 2.176 35.423 ( -1.750 0.139 -0.102) 1.759 35.449 ( 0.137 -0.577 0.373) 0.701 35.503 ( -0.010 1.488 0.817) 1.697 35.581 ( 0.461 -0.063 -0.721) 0.858 88.828 ( -1.389 -0.903 2.576) 3.062 88.928 ( -0.867 -3.971 5.984) 7.234 89.108 ( -0.584 2.374 -0.047) 2.445 89.403 ( -3.908 -2.926 -4.741) 6.805 97.677 ( -0.462 -0.056 -0.126) 0.482 97.698 ( -0.339 0.150 -0.403) 0.547 97.774 ( 0.530 -1.702 3.306) 3.756 97.872 ( -2.555 -2.273 -1.112) 3.596 98.700 ( -0.474 0.647 0.371) 0.884 98.732 ( -0.682 1.006 -0.611) 1.361 98.766 ( 0.304 2.832 0.183) 2.854 98.794 ( 2.498 2.534 0.342) 3.575 99.610 ( 0.981 0.497 0.587) 1.247 99.653 ( -0.401 2.065 -1.139) 2.392 99.832 ( 1.335 0.403 7.058) 7.195 100.342 ( 0.845 -5.538 -7.035) 8.993 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -15.870 3.462 -8.134) 18.166 1.195 ( -17.078 5.839 -3.917) 18.469 1.683 ( 6.167 2.424 -7.626) 10.103 1.897 ( 1.584 0.108 -5.554) 5.776 1.976 ( 5.180 1.538 -0.843) 5.469 1.990 ( -9.534 2.860 3.173) 10.447 2.023 ( -9.037 2.249 2.043) 9.535 2.164 ( 1.354 2.284 -4.838) 5.519 2.213 ( -8.196 3.360 2.897) 9.320 2.274 ( -0.938 -4.616 -2.339) 5.259 2.362 ( -2.641 2.326 -2.969) 4.604 2.452 ( 1.910 -1.618 -0.269) 2.518 2.525 ( 2.994 1.361 0.875) 3.403 2.537 ( 0.573 -1.638 2.440) 2.994 2.651 ( 5.263 -0.010 -2.363) 5.769 2.816 ( 1.483 0.305 -3.133) 3.480 2.878 ( 1.802 1.038 -2.677) 3.390 3.046 ( 2.667 0.287 3.766) 4.623 3.116 ( -0.653 -2.418 1.907) 3.148 3.232 ( -0.068 -0.095 3.686) 3.688 3.304 ( 2.759 -1.329 0.848) 3.178 3.361 ( 0.648 0.880 4.555) 4.684 3.534 ( 1.175 4.712 3.197) 5.815 3.731 ( -0.831 -0.179 2.078) 2.245 4.359 ( -1.282 -1.080 1.266) 2.101 4.466 ( -2.328 -2.584 2.090) 4.058 4.638 ( 2.313 -4.747 -0.180) 5.284 4.673 ( 2.478 -3.085 2.412) 4.634 4.781 ( 2.239 -3.595 0.074) 4.236 4.967 ( -0.925 4.207 2.795) 5.135 5.014 ( 2.009 -3.297 -2.834) 4.789 5.074 ( -3.315 3.008 3.819) 5.884 5.261 ( 10.295 -0.096 1.016) 10.346 5.404 ( 0.221 -2.564 2.080) 3.309 5.470 ( 4.354 -3.736 -2.764) 6.369 5.496 ( 1.289 -1.570 0.297) 2.053 5.514 ( -0.989 -0.957 -4.609) 4.810 5.634 ( 8.605 -4.995 -0.611) 9.968 5.676 ( 3.402 0.222 2.550) 4.258 5.724 ( 6.314 1.475 -0.029) 6.484 5.805 ( 0.417 1.201 0.196) 1.286 6.053 ( -4.778 -2.573 1.783) 5.713 6.065 ( 0.381 3.283 -2.094) 3.912 6.254 ( -2.688 5.646 -1.476) 6.425 6.349 ( -0.168 1.500 4.673) 4.911 6.442 ( 0.343 0.269 5.150) 5.169 6.698 ( 5.092 -1.950 -0.227) 5.457 6.761 ( 4.122 1.245 4.203) 6.017 6.906 ( 5.974 -1.688 4.811) 7.855 7.033 ( 4.424 -8.189 -3.802) 10.055 7.315 ( 0.486 -2.724 1.978) 3.401 7.358 ( 3.463 4.413 -9.482) 11.017 7.404 ( 6.985 -0.459 -5.162) 8.698 7.438 ( -2.307 6.242 -3.151) 7.363 7.810 ( 1.999 8.869 10.121) 13.605 7.986 ( 1.211 -0.437 -1.228) 1.779 8.181 ( 4.855 3.512 -2.280) 6.412 8.546 ( 6.373 3.953 -6.886) 10.181 8.699 ( -0.121 -2.452 2.258) 3.335 8.742 ( -0.205 0.286 3.281) 3.300 8.880 ( -3.840 -0.174 -0.113) 3.846 9.133 ( -2.275 3.240 -4.081) 5.685 9.202 ( -1.170 3.637 -1.091) 3.973 9.354 ( -0.383 -3.322 1.871) 3.832 9.626 ( -11.116 1.603 -1.358) 11.313 9.648 ( -5.296 -1.890 -1.471) 5.812 9.838 ( -0.601 2.448 -1.203) 2.793 10.023 ( -2.296 -3.964 -0.128) 4.583 10.338 ( -5.331 -1.330 3.641) 6.592 10.547 ( -1.021 0.210 -1.943) 2.205 10.745 ( -1.496 -3.395 8.422) 9.203 11.113 ( -2.877 -5.616 -6.611) 9.139 20.512 ( 0.442 0.981 0.047) 1.077 20.548 ( 1.908 2.142 0.230) 2.878 20.811 ( 1.527 1.309 0.839) 2.179 20.851 ( 1.506 0.474 -0.716) 1.734 22.795 ( 0.746 0.667 1.982) 2.220 22.815 ( -1.209 1.056 -1.628) 2.286 23.077 ( 0.661 -1.199 2.765) 3.085 23.135 ( -1.734 -1.133 -3.516) 4.081 24.615 ( 0.375 -1.334 1.691) 2.186 24.704 ( 0.193 -3.899 -1.030) 4.038 24.905 ( -1.329 3.212 0.085) 3.478 24.962 ( -0.531 1.805 -1.361) 2.322 25.678 ( 4.253 0.715 -0.131) 4.314 25.713 ( 5.027 1.349 0.302) 5.214 26.035 ( 1.663 0.184 0.060) 1.674 26.051 ( 2.911 1.284 0.554) 3.230 28.315 ( -1.509 0.004 0.928) 1.771 28.339 ( -2.533 -0.249 0.593) 2.613 28.504 ( 0.595 0.699 1.948) 2.153 28.554 ( 1.461 0.565 -1.594) 2.235 28.616 ( 0.478 0.017 -0.577) 0.750 28.721 ( 1.047 -1.343 -0.491) 1.772 28.811 ( 0.613 -0.665 0.510) 1.038 28.906 ( -0.193 -3.786 -3.195) 4.958 32.341 ( -2.071 0.015 0.919) 2.266 32.410 ( 0.869 -0.770 -0.703) 1.357 32.443 ( -0.427 1.624 -0.869) 1.891 32.547 ( 2.140 -0.014 -0.480) 2.193 35.389 ( -1.981 0.480 -0.147) 2.043 35.452 ( -0.394 -0.725 0.580) 1.009 35.515 ( 0.394 1.815 0.967) 2.094 35.578 ( 0.022 -0.029 -0.744) 0.745 88.825 ( -2.241 -1.039 2.611) 3.594 88.959 ( -1.958 -4.714 3.430) 6.150 89.109 ( -3.414 0.159 7.730) 8.452 89.277 ( -3.763 -1.545 -6.030) 7.273 97.665 ( -0.978 0.061 0.125) 0.988 97.682 ( -0.976 0.123 -0.364) 1.049 97.800 ( -2.849 -2.276 -0.027) 3.647 97.822 ( -1.090 -2.662 2.814) 4.024 98.690 ( -1.006 0.567 0.326) 1.200 98.714 ( -0.572 0.163 -0.813) 1.007 98.796 ( 2.724 4.452 0.597) 5.253 98.851 ( 3.795 4.270 0.424) 5.728 99.611 ( -0.716 1.767 -0.735) 2.044 99.660 ( 1.896 1.016 0.014) 2.151 99.928 ( 0.335 -1.088 7.888) 7.970 100.256 ( -0.200 -6.326 -10.713) 12.443 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -16.227 8.666 -3.990) 18.824 0.883 ( -19.290 8.946 3.346) 21.526 1.638 ( -30.699 16.105 7.399) 35.448 1.727 ( 3.653 -0.103 -2.257) 4.296 1.819 ( -1.138 -0.829 -3.459) 3.734 2.002 ( 1.220 -0.435 -3.163) 3.418 2.036 ( 4.048 2.525 -5.341) 7.161 2.158 ( 0.946 1.529 -2.631) 3.186 2.171 ( -2.023 -3.660 6.036) 7.343 2.275 ( 1.037 -1.148 1.525) 2.173 2.316 ( -0.293 0.701 -1.123) 1.356 2.490 ( 2.821 -2.688 0.237) 3.904 2.534 ( 0.214 -0.932 1.232) 1.560 2.626 ( 2.050 0.435 4.233) 4.723 2.734 ( 5.909 -0.011 -0.971) 5.988 2.786 ( 0.128 1.045 -3.237) 3.404 2.925 ( 5.072 4.380 -2.283) 7.080 3.105 ( 1.808 -2.234 0.668) 2.951 3.153 ( 0.795 -2.013 3.810) 4.382 3.257 ( 0.229 0.372 0.472) 0.643 3.351 ( 2.472 -2.049 0.108) 3.213 3.384 ( -0.621 -0.056 -0.279) 0.683 3.553 ( -1.012 4.399 -0.165) 4.517 3.711 ( -3.521 -0.347 1.144) 3.719 4.367 ( 1.175 -2.794 -0.239) 3.040 4.459 ( -0.152 1.438 1.864) 2.359 4.658 ( 1.877 -5.534 -1.147) 5.956 4.774 ( 3.951 -3.044 2.090) 5.408 4.807 ( 2.195 -3.555 -0.609) 4.222 4.958 ( -0.949 3.784 1.018) 4.032 5.065 ( 4.494 -2.106 0.569) 4.995 5.156 ( 4.009 1.682 10.318) 11.196 5.338 ( -6.281 -1.620 -3.996) 7.618 5.385 ( 3.201 -2.373 1.198) 4.161 5.453 ( 3.117 -0.594 -5.104) 6.010 5.519 ( 3.729 -3.011 -4.138) 6.332 5.530 ( 2.259 0.408 -2.905) 3.703 5.696 ( -0.721 -3.131 3.103) 4.467 5.751 ( 5.572 -2.949 1.513) 6.483 5.868 ( 6.824 -0.664 0.837) 6.907 5.896 ( 1.130 -0.186 0.069) 1.148 6.007 ( 5.557 -0.738 1.161) 5.724 6.085 ( 1.178 8.160 1.150) 8.324 6.157 ( -4.202 5.466 -2.134) 7.217 6.366 ( -2.424 3.058 2.394) 4.578 6.471 ( -1.061 0.364 0.994) 1.499 6.709 ( -0.851 2.245 -4.708) 5.285 6.920 ( 7.317 -2.415 3.183) 8.336 7.013 ( 2.504 -3.328 -2.549) 4.883 7.071 ( 4.937 -3.265 -0.325) 5.927 7.290 ( -0.368 4.551 -3.867) 5.983 7.335 ( -0.342 0.189 -0.191) 0.435 7.437 ( 2.408 5.461 2.863) 6.620 7.538 ( 14.368 -8.655 -4.493) 17.364 7.990 ( 2.048 -2.428 0.708) 3.255 8.053 ( 5.870 7.060 16.356) 18.757 8.249 ( 5.716 3.088 -1.286) 6.623 8.595 ( 6.171 0.719 -4.362) 7.591 8.708 ( -0.531 -3.284 0.659) 3.391 8.751 ( 1.337 0.412 -2.461) 2.831 8.821 ( -5.613 2.208 4.113) 7.301 9.025 ( -3.049 3.982 -6.210) 7.982 9.188 ( -1.452 1.317 1.443) 2.434 9.366 ( 0.044 -3.615 1.069) 3.771 9.402 ( -12.477 3.345 -2.059) 13.081 9.543 ( -4.465 -2.255 -2.085) 5.419 9.799 ( -0.573 5.127 -4.302) 6.717 9.966 ( -4.238 -2.614 0.763) 5.038 10.295 ( -5.419 -2.434 4.677) 7.561 10.479 ( -4.431 1.971 -2.181) 5.317 10.803 ( -3.254 -7.975 8.978) 12.441 10.996 ( -2.967 -4.630 -5.356) 7.676 20.523 ( 0.791 1.255 -0.089) 1.486 20.598 ( 4.615 4.028 -0.491) 6.145 20.848 ( 1.881 1.952 0.570) 2.771 20.872 ( 1.752 0.780 -0.429) 1.965 22.758 ( -1.318 0.791 -1.821) 2.383 22.844 ( 0.598 0.349 1.932) 2.053 23.066 ( -0.969 -0.625 -2.470) 2.726 23.123 ( 0.013 -0.616 2.012) 2.104 24.640 ( 0.211 -1.190 2.276) 2.577 24.696 ( 0.213 -2.662 -0.952) 2.835 24.887 ( -1.243 2.269 0.792) 2.706 24.939 ( -0.509 1.274 -0.995) 1.695 25.760 ( 5.632 0.688 -0.338) 5.684 25.803 ( 4.862 0.704 0.284) 4.921 26.065 ( 1.822 0.852 -0.176) 2.019 26.139 ( 5.884 2.935 2.940) 7.203 28.300 ( -1.431 -0.172 1.313) 1.950 28.306 ( -2.117 -0.166 0.888) 2.302 28.534 ( 0.161 0.452 2.347) 2.395 28.571 ( 2.371 0.752 -1.276) 2.796 28.622 ( 0.702 -0.089 -0.321) 0.777 28.725 ( -0.845 -2.320 0.101) 2.471 28.812 ( 0.305 -1.900 -2.411) 3.084 28.850 ( -2.302 -3.654 -3.252) 5.407 32.322 ( -1.551 0.450 1.095) 1.951 32.406 ( -0.132 -0.261 -0.936) 0.981 32.434 ( 0.131 1.280 -0.398) 1.347 32.577 ( 1.998 -0.421 -0.422) 2.085 35.359 ( -1.620 0.697 0.267) 1.784 35.452 ( -0.038 -0.183 0.374) 0.418 35.540 ( 1.103 1.847 1.532) 2.641 35.566 ( -0.385 0.103 -0.898) 0.983 88.810 ( -2.576 -1.117 2.267) 3.609 88.941 ( -1.837 -2.430 0.115) 3.048 89.111 ( -5.024 -4.205 0.787) 6.599 89.216 ( -4.335 -6.591 11.103) 13.620 97.649 ( -1.120 0.026 0.089) 1.123 97.662 ( -1.019 0.039 -0.234) 1.046 97.737 ( -2.670 -0.955 -1.243) 3.097 97.838 ( -3.066 -6.427 4.240) 8.288 98.678 ( -0.698 0.492 0.393) 0.940 98.697 ( -0.583 -0.075 -0.610) 0.847 98.861 ( 3.513 4.456 0.828) 5.734 98.943 ( 7.972 9.536 0.595) 12.444 99.593 ( -0.383 1.304 -0.465) 1.437 99.692 ( 1.835 1.147 -0.279) 2.181 100.000 ( -1.238 -2.076 6.609) 7.037 100.088 ( -3.517 -6.410 -16.449) 18.001 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -5.714 16.521 12.539) 21.513 0.676 ( -12.763 15.513 10.874) 22.843 1.211 ( -30.070 20.980 12.852) 38.853 1.738 ( -0.361 -3.318 -1.974) 3.878 1.846 ( 2.847 2.147 2.489) 4.348 1.977 ( -0.001 2.016 -10.272) 10.468 1.985 ( 2.163 1.125 -1.471) 2.847 2.154 ( 0.730 -1.029 -0.928) 1.566 2.230 ( 2.094 -4.046 1.862) 4.922 2.302 ( -1.594 -0.468 3.831) 4.176 2.341 ( 2.503 -3.333 2.213) 4.720 2.542 ( 1.277 -2.239 3.267) 4.162 2.576 ( -0.224 1.308 4.898) 5.075 2.680 ( 0.393 -0.109 2.479) 2.513 2.749 ( -0.143 4.023 -1.759) 4.393 2.819 ( 3.767 -2.166 0.718) 4.404 2.970 ( 3.830 5.670 -3.587) 7.725 3.153 ( 2.374 -0.365 2.090) 3.184 3.187 ( 0.050 -4.809 1.153) 4.945 3.244 ( 0.349 -1.380 -3.731) 3.993 3.336 ( -1.422 -1.966 -4.621) 5.220 3.387 ( 1.297 2.665 -1.216) 3.203 3.506 ( -1.736 3.461 -3.101) 4.961 3.641 ( -4.072 -0.668 -2.443) 4.795 4.383 ( 2.290 -3.286 -1.478) 4.269 4.510 ( 4.282 3.377 -1.185) 5.580 4.666 ( 1.156 -4.971 -3.996) 6.482 4.782 ( 0.281 -3.282 -0.918) 3.419 4.870 ( 0.587 -1.461 2.553) 2.999 4.994 ( 3.048 3.539 0.647) 4.715 5.147 ( 2.707 1.931 0.815) 3.424 5.209 ( -1.343 -0.106 -2.539) 2.874 5.299 ( -2.138 -0.946 -1.644) 2.858 5.410 ( 3.024 -5.244 4.322) 7.438 5.457 ( 2.779 -1.510 -5.550) 6.388 5.528 ( -0.539 -1.763 0.179) 1.852 5.549 ( 5.014 -3.467 -0.544) 6.120 5.711 ( -4.090 -6.413 6.378) 9.927 5.794 ( -4.401 0.232 -1.785) 4.755 5.878 ( 4.010 -2.219 1.974) 4.990 6.016 ( 7.147 0.760 3.267) 7.895 6.077 ( 0.924 1.879 0.788) 2.237 6.121 ( 1.367 6.668 -0.739) 6.847 6.213 ( 8.425 3.567 4.629) 10.254 6.332 ( -2.073 4.282 -1.218) 4.911 6.456 ( -2.321 -1.835 1.710) 3.417 6.601 ( -3.314 3.823 -6.463) 8.207 6.975 ( 1.591 -2.407 -5.191) 5.939 7.017 ( 1.233 -1.692 1.046) 2.340 7.141 ( 3.662 -0.251 -1.543) 3.981 7.221 ( -1.355 1.956 -6.473) 6.897 7.411 ( 1.680 5.706 -3.961) 7.146 7.455 ( 1.887 2.758 9.591) 10.156 7.792 ( 8.473 -5.373 10.781) 14.727 8.024 ( 1.776 -3.226 1.838) 4.116 8.302 ( 8.273 2.733 3.934) 9.559 8.335 ( -1.453 1.202 7.597) 7.828 8.640 ( 3.046 -5.677 -1.020) 6.523 8.683 ( -0.202 -2.533 -3.394) 4.240 8.761 ( -0.105 -0.256 0.932) 0.973 8.788 ( -2.830 2.240 3.240) 4.850 8.930 ( -2.559 3.172 -1.111) 4.224 9.156 ( -4.456 2.654 -0.648) 5.227 9.234 ( -3.495 2.490 -0.363) 4.307 9.376 ( -1.765 -3.586 3.031) 5.016 9.486 ( 4.204 -1.616 -6.859) 8.206 9.722 ( -1.496 6.241 -7.464) 9.844 9.926 ( -0.555 -0.462 0.322) 0.790 10.254 ( -5.129 -2.555 4.163) 7.083 10.367 ( -5.003 1.933 -2.389) 5.871 10.790 ( -9.040 -10.832 6.035) 15.345 10.918 ( -0.800 -4.158 -3.044) 5.214 20.533 ( 0.535 1.472 -0.204) 1.579 20.682 ( 7.430 4.413 -5.125) 10.047 20.876 ( 1.176 2.137 -0.453) 2.481 20.902 ( 2.001 1.988 0.145) 2.824 22.734 ( 0.041 0.918 -0.558) 1.075 22.858 ( -0.443 -0.319 0.492) 0.735 23.039 ( 0.180 0.408 -1.184) 1.265 23.131 ( -0.905 -0.539 0.726) 1.280 24.678 ( 0.402 -2.452 4.099) 4.794 24.693 ( 0.358 -1.968 -0.268) 2.018 24.879 ( -1.000 1.887 0.980) 2.350 24.932 ( 0.263 0.643 0.441) 0.823 25.844 ( 4.432 0.585 -0.316) 4.482 25.868 ( 2.753 0.455 -0.009) 2.790 26.088 ( 0.992 1.340 0.123) 1.672 26.305 ( 8.845 0.553 1.490) 8.987 28.289 ( -1.297 -0.234 1.329) 1.872 28.323 ( 1.912 -1.274 4.739) 5.266 28.557 ( -0.742 -0.013 2.930) 3.022 28.601 ( 2.285 0.512 -1.483) 2.772 28.631 ( 0.250 -0.156 -0.184) 0.348 28.653 ( -6.627 -4.213 -2.430) 8.220 28.738 ( -3.930 -0.626 -0.323) 3.992 28.824 ( 1.383 -1.118 -1.968) 2.653 32.311 ( -1.170 0.835 1.010) 1.757 32.397 ( 0.225 0.152 -0.530) 0.596 32.446 ( 0.697 0.273 2.065) 2.197 32.602 ( 1.542 -0.731 -0.606) 1.811 35.344 ( -0.950 0.764 0.955) 1.549 35.462 ( 1.141 0.415 -0.482) 1.306 35.546 ( -0.539 0.418 -1.271) 1.443 35.582 ( 1.655 0.537 1.106) 2.062 88.790 ( -2.390 -1.097 1.650) 3.105 88.912 ( -1.241 -1.134 -0.766) 1.847 89.036 ( -2.900 -4.659 -0.500) 5.511 89.216 ( -15.502 -18.453 11.772) 26.821 97.631 ( -0.848 -0.138 -0.208) 0.884 97.647 ( -0.492 0.141 -0.203) 0.551 97.695 ( -1.063 -0.531 -0.518) 1.297 97.778 ( -7.834 -6.629 0.853) 10.298 98.678 ( 0.052 0.061 0.402) 0.410 98.684 ( -0.621 0.370 0.441) 0.847 98.906 ( 1.487 3.782 -0.426) 4.086 99.145 ( 15.800 11.424 -6.939) 20.696 99.598 ( 1.068 1.939 0.952) 2.410 99.713 ( 1.662 0.859 -0.312) 1.897 99.803 ( -7.393 -0.157 -10.595) 12.920 100.024 ( -2.975 -2.394 3.846) 5.420 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -3.661 18.841 8.966) 21.184 1.109 ( 0.042 16.856 13.339) 21.495 1.483 ( 1.310 7.375 8.864) 11.605 1.746 ( -1.608 9.297 3.648) 10.116 1.834 ( -0.464 -7.864 -2.957) 8.415 1.942 ( 2.521 0.154 -2.646) 3.658 1.992 ( -2.826 0.351 -4.489) 5.316 2.079 ( 2.991 -3.299 0.910) 4.545 2.182 ( 2.855 -2.897 2.048) 4.554 2.372 ( -0.558 -1.832 7.823) 8.054 2.411 ( -2.055 6.463 0.803) 6.829 2.543 ( -0.943 -2.905 4.690) 5.597 2.559 ( -2.294 0.839 0.508) 2.494 2.695 ( -0.995 0.235 1.481) 1.799 2.793 ( 1.662 -5.629 4.373) 7.320 2.889 ( -1.150 -5.159 0.840) 5.352 2.934 ( 3.429 1.597 0.927) 3.895 3.126 ( 0.312 -1.880 -1.119) 2.210 3.171 ( 0.629 0.045 -7.692) 7.718 3.213 ( 1.649 -1.305 -7.418) 7.710 3.319 ( 1.408 6.901 1.268) 7.157 3.409 ( -2.293 3.614 -6.471) 7.758 3.509 ( -3.660 -0.658 -5.609) 6.730 3.527 ( 0.388 0.637 -2.099) 2.227 4.336 ( 1.713 -2.442 0.269) 2.995 4.436 ( -1.167 -6.869 3.408) 7.756 4.600 ( 0.825 0.989 -9.063) 9.154 4.701 ( -0.484 -4.479 -1.936) 4.903 4.958 ( 4.046 4.160 3.895) 6.990 5.090 ( 0.904 2.743 -2.851) 4.058 5.132 ( -3.417 2.784 0.272) 4.416 5.206 ( -5.780 -2.254 6.209) 8.777 5.311 ( -1.511 -0.003 0.338) 1.549 5.346 ( -1.324 -0.477 -1.449) 2.020 5.433 ( -1.862 -3.313 -0.060) 3.801 5.473 ( 5.136 -3.059 3.851) 7.110 5.531 ( 2.184 -2.275 -1.026) 3.316 5.617 ( 0.260 -4.741 3.437) 5.862 5.745 ( 0.750 4.068 -3.567) 5.462 5.908 ( 0.172 -1.087 -0.317) 1.145 6.100 ( -0.744 -3.338 -1.614) 3.781 6.130 ( 1.272 0.035 0.208) 1.290 6.176 ( 3.249 -1.196 3.505) 4.927 6.232 ( -0.354 2.571 -1.405) 2.951 6.390 ( -3.575 0.257 0.242) 3.593 6.478 ( 3.854 -2.903 6.743) 8.291 6.661 ( -2.794 11.861 -9.296) 15.327 7.000 ( 1.135 4.372 -1.508) 4.762 7.081 ( 0.390 1.328 -0.953) 1.680 7.131 ( -1.204 -5.463 -5.719) 8.000 7.218 ( 0.719 5.001 0.232) 5.058 7.389 ( -5.645 1.285 -5.280) 7.835 7.728 ( 5.317 4.130 9.524) 11.664 7.945 ( 0.649 -3.631 7.566) 8.417 8.086 ( -1.073 6.893 7.236) 10.051 8.248 ( -4.977 1.194 -2.647) 5.762 8.406 ( -3.211 -5.761 -2.090) 6.919 8.538 ( 5.453 -9.049 2.166) 10.784 8.690 ( 2.947 5.147 2.006) 6.261 8.751 ( -5.864 1.699 0.347) 6.115 8.757 ( 0.534 -1.030 4.013) 4.178 8.975 ( -0.165 0.522 3.403) 3.447 9.124 ( -3.600 0.122 3.046) 4.717 9.244 ( -3.531 -3.828 -2.491) 5.773 9.304 ( 5.216 -3.058 -4.494) 7.533 9.379 ( 0.742 -0.547 1.715) 1.947 9.677 ( 0.209 2.243 -5.820) 6.241 9.829 ( -0.665 -4.750 -1.137) 4.929 10.330 ( 2.786 4.965 -2.880) 6.380 10.377 ( 1.980 2.965 -2.058) 4.117 10.619 ( -3.435 -1.209 2.862) 4.632 10.794 ( 2.463 -6.668 -1.162) 7.202 20.580 ( -0.018 2.540 -0.454) 2.580 20.687 ( 0.164 -1.568 -3.883) 4.191 20.924 ( 0.036 1.840 -0.178) 1.849 20.958 ( 0.044 0.805 -0.488) 0.942 22.780 ( 1.346 1.598 0.638) 2.184 22.835 ( -0.425 -0.634 -0.331) 0.832 23.062 ( 0.755 0.756 -0.155) 1.079 23.097 ( -1.134 -0.703 -0.842) 1.577 24.652 ( -0.769 -1.501 1.153) 2.043 24.661 ( 0.091 -1.605 0.347) 1.645 24.918 ( -0.170 1.534 1.207) 1.959 24.951 ( 0.328 -0.178 1.250) 1.305 25.901 ( 0.661 0.725 -0.231) 1.008 25.906 ( 0.007 0.634 -0.277) 0.692 26.135 ( -0.311 2.165 0.132) 2.191 26.275 ( -1.208 -3.479 -3.003) 4.752 28.287 ( -0.623 0.062 1.958) 2.056 28.332 ( -0.789 -2.391 3.173) 4.051 28.549 ( -0.841 0.812 0.719) 1.372 28.580 ( 0.075 -0.757 2.156) 2.287 28.643 ( 0.814 -0.198 0.659) 1.066 28.661 ( 2.577 -0.571 -0.375) 2.667 28.686 ( -1.512 1.650 -1.010) 2.456 28.788 ( 1.075 -2.264 -1.968) 3.187 32.336 ( -0.565 1.698 1.053) 2.076 32.402 ( 0.503 -0.784 0.799) 1.227 32.479 ( 0.212 1.083 0.609) 1.260 32.572 ( 0.210 -2.191 -0.927) 2.389 35.371 ( -0.142 1.383 1.227) 1.854 35.449 ( 0.135 -1.847 -0.392) 1.893 35.548 ( -0.108 1.402 -0.822) 1.629 35.585 ( -0.448 -0.186 -0.859) 0.987 88.743 ( -3.253 0.056 2.427) 4.059 88.797 ( -4.991 -2.182 4.197) 6.877 88.933 ( 0.089 1.673 -0.975) 1.938 89.046 ( 2.921 -3.121 -0.828) 4.354 97.626 ( -0.122 0.450 -0.239) 0.524 97.644 ( 0.091 -0.124 -0.054) 0.163 97.663 ( -1.249 -0.052 -0.134) 1.257 97.680 ( 0.711 -0.644 -0.098) 0.965 98.688 ( 0.123 0.557 0.734) 0.929 98.698 ( 0.031 0.256 0.939) 0.974 99.008 ( -0.341 5.278 -1.795) 5.585 99.179 ( -1.583 -0.534 -8.406) 8.570 99.661 ( 0.126 3.283 0.512) 3.325 99.753 ( -0.714 1.381 -0.595) 1.665 99.848 ( 7.074 -3.089 3.653) 8.540 99.926 ( -1.945 -3.471 0.185) 3.983 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -2.171 17.797 8.630) 19.898 1.319 ( 6.686 14.816 12.272) 20.367 1.682 ( 7.317 -0.158 5.536) 9.176 1.775 ( -0.724 1.848 -0.650) 2.088 1.792 ( 5.992 8.180 -6.309) 11.942 1.935 ( 0.985 -3.376 0.104) 3.518 2.001 ( 1.956 -2.815 4.091) 5.337 2.139 ( 2.681 -4.841 2.239) 5.970 2.284 ( 5.385 -1.862 4.103) 7.021 2.360 ( -3.347 4.259 0.376) 5.430 2.442 ( -1.725 -2.820 7.361) 8.069 2.525 ( -2.899 0.039 1.695) 3.358 2.595 ( -1.059 0.123 6.946) 7.027 2.655 ( -3.034 1.489 -0.085) 3.380 2.842 ( 0.055 -4.126 1.472) 4.381 2.921 ( -0.538 -2.334 5.275) 5.793 2.941 ( -0.428 -0.975 -4.459) 4.584 3.027 ( -3.219 -1.013 -8.621) 9.258 3.125 ( -1.726 -0.041 -0.298) 1.752 3.196 ( -0.124 -0.052 -2.130) 2.134 3.298 ( 1.869 6.453 -9.400) 11.554 3.345 ( -0.948 3.375 0.807) 3.597 3.396 ( -0.016 -0.022 -8.746) 8.746 3.507 ( 0.731 -0.005 -2.726) 2.823 4.356 ( -0.105 -1.063 0.818) 1.346 4.476 ( 1.903 -5.300 2.124) 6.019 4.508 ( -2.256 0.853 -3.369) 4.144 4.661 ( -1.806 -5.264 -2.272) 6.011 4.992 ( -6.348 6.195 1.634) 9.019 5.037 ( -1.486 4.873 -2.698) 5.765 5.101 ( -2.187 -0.487 3.727) 4.348 5.145 ( -7.145 -2.409 3.881) 8.480 5.223 ( -2.896 -2.830 -2.585) 4.804 5.381 ( -2.688 -1.853 3.119) 4.515 5.393 ( -0.458 -1.494 -2.235) 2.726 5.530 ( -0.045 -6.379 1.084) 6.471 5.592 ( 2.275 -0.210 3.052) 3.812 5.684 ( 4.681 -3.594 2.390) 6.367 5.753 ( 2.184 4.008 -2.459) 5.185 5.853 ( -3.098 -0.878 -4.326) 5.392 6.063 ( -1.147 1.876 2.202) 3.112 6.155 ( 0.655 0.149 -1.867) 1.984 6.190 ( -3.349 2.783 0.492) 4.382 6.214 ( -1.123 3.160 -2.132) 3.974 6.337 ( -3.226 -0.145 -0.453) 3.261 6.513 ( -3.579 9.008 -5.123) 10.964 6.642 ( 2.919 -7.084 6.961) 10.351 6.814 ( -9.796 -0.322 -7.775) 12.511 7.062 ( -3.440 1.406 -1.985) 4.213 7.161 ( 1.396 -4.996 1.637) 5.440 7.185 ( -4.292 3.152 -1.075) 5.432 7.288 ( 2.456 -0.253 -1.183) 2.738 7.815 ( -8.994 5.813 1.343) 10.793 7.918 ( -2.062 2.764 5.799) 6.747 8.072 ( -4.924 -0.427 5.441) 7.350 8.204 ( -6.038 4.734 4.373) 8.831 8.353 ( -2.944 -8.072 2.565) 8.967 8.556 ( -2.031 -0.939 -2.530) 3.377 8.622 ( -4.068 -0.047 -3.540) 5.393 8.784 ( 0.306 -2.874 1.704) 3.355 8.934 ( 9.836 3.106 7.738) 12.894 9.003 ( 0.358 -1.540 0.603) 1.692 9.124 ( 0.181 1.281 1.133) 1.720 9.206 ( 7.082 -4.136 -2.113) 8.469 9.368 ( 5.726 2.113 0.032) 6.103 9.472 ( 6.558 1.132 1.598) 6.844 9.644 ( 2.573 1.852 -5.730) 6.549 9.806 ( 0.883 -4.856 -3.144) 5.852 10.349 ( 2.192 3.231 -1.467) 4.171 10.435 ( 6.583 0.474 -2.056) 6.913 10.595 ( -2.331 0.445 1.848) 3.007 10.849 ( 5.151 -7.900 -0.646) 9.454 20.569 ( -0.823 2.093 -0.236) 2.261 20.632 ( -1.802 0.051 -2.983) 3.485 20.911 ( -1.559 1.952 0.019) 2.498 20.939 ( -1.596 0.888 -0.216) 1.840 22.809 ( -0.373 0.830 -0.324) 0.966 22.820 ( 0.767 0.580 0.085) 0.965 23.059 ( -1.197 0.170 -0.952) 1.539 23.091 ( 1.869 -0.826 0.486) 2.101 24.640 ( -1.851 -1.432 0.689) 2.439 24.661 ( -0.611 -2.270 0.562) 2.417 24.937 ( 0.781 1.704 1.335) 2.302 24.974 ( 1.067 0.098 0.768) 1.319 25.871 ( -3.764 0.830 -0.270) 3.864 25.881 ( -2.806 0.449 -0.197) 2.849 26.119 ( -2.076 1.386 0.602) 2.567 26.198 ( -3.764 -1.158 -2.057) 4.443 28.302 ( -0.257 0.035 2.017) 2.034 28.332 ( -2.026 -1.143 2.219) 3.215 28.541 ( -1.088 0.949 0.374) 1.491 28.604 ( -0.066 -1.959 0.656) 2.067 28.646 ( -1.133 0.824 0.033) 1.402 28.676 ( 1.498 -0.133 0.402) 1.557 28.727 ( 4.869 -1.660 -0.418) 5.161 28.784 ( 1.059 -2.147 -1.923) 3.071 32.339 ( -0.423 1.889 1.023) 2.189 32.417 ( 0.537 -0.671 0.271) 0.901 32.488 ( -0.298 0.205 0.912) 0.981 32.560 ( -0.253 -1.775 -1.108) 2.108 35.388 ( 0.318 0.968 1.533) 1.841 35.442 ( -0.430 -1.294 -0.296) 1.395 35.540 ( -0.026 1.508 -0.625) 1.633 35.568 ( -0.101 0.125 -0.939) 0.953 88.726 ( -1.316 0.672 2.146) 2.606 88.771 ( -2.275 -1.226 2.410) 3.534 88.961 ( 4.180 2.595 -0.941) 5.009 89.129 ( 6.395 -4.568 0.842) 7.904 97.626 ( 0.662 0.364 -0.372) 0.842 97.648 ( 0.410 -0.582 0.238) 0.751 97.662 ( 1.270 0.709 -0.491) 1.535 97.706 ( 2.243 -1.180 0.164) 2.540 98.697 ( -0.152 0.852 0.712) 1.121 98.713 ( 0.525 0.077 0.912) 1.055 98.966 ( -2.300 4.526 -1.294) 5.239 99.051 ( -4.003 2.239 -5.195) 6.930 99.679 ( 0.027 3.346 1.077) 3.516 99.729 ( -1.023 1.170 -0.686) 1.699 99.849 ( -2.675 -0.732 -1.631) 3.218 100.039 ( 8.065 -8.249 1.754) 11.669 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 7.304 11.331 9.355) 16.409 1.560 ( 8.297 11.455 8.111) 16.305 1.729 ( 1.375 0.882 -5.181) 5.432 1.775 ( 6.793 -0.076 -5.728) 8.886 1.857 ( 5.558 7.026 -3.761) 9.716 2.009 ( 3.130 -2.894 1.870) 4.655 2.101 ( 4.357 -4.061 5.467) 8.085 2.189 ( 1.561 -2.874 -2.447) 4.084 2.308 ( -4.202 2.096 2.388) 5.268 2.405 ( -0.428 0.940 3.833) 3.969 2.494 ( -1.877 0.277 4.571) 4.949 2.514 ( 0.693 -0.573 5.825) 5.894 2.629 ( 0.963 -0.982 3.687) 3.935 2.654 ( -1.078 -0.047 4.717) 4.838 2.848 ( -4.651 -4.920 -0.584) 6.795 2.863 ( 2.050 -1.078 -3.929) 4.561 2.892 ( -3.212 -1.159 -4.110) 5.344 2.929 ( -0.530 2.833 -1.149) 3.103 3.073 ( -4.892 0.424 2.153) 5.362 3.142 ( -3.148 0.001 -1.779) 3.616 3.264 ( -3.335 0.897 -1.587) 3.801 3.312 ( -3.597 1.626 1.458) 4.208 3.355 ( 8.126 4.717 -8.585) 12.727 3.509 ( 3.192 0.185 -3.503) 4.743 4.361 ( 0.484 0.083 0.255) 0.553 4.447 ( -2.625 -0.269 -0.679) 2.725 4.532 ( 0.778 -5.622 2.653) 6.265 4.598 ( -3.425 -4.583 -0.940) 5.798 4.888 ( -6.756 3.032 1.963) 7.661 4.974 ( -3.755 1.968 -0.638) 4.288 5.034 ( -2.594 0.751 -2.089) 3.415 5.143 ( -0.326 -1.365 0.524) 1.498 5.182 ( -1.591 -2.370 2.358) 3.702 5.292 ( -4.650 -2.688 -1.121) 5.487 5.374 ( -3.403 -0.342 -0.439) 3.448 5.494 ( -4.524 -7.036 -1.078) 8.434 5.628 ( -2.307 0.978 0.996) 2.696 5.722 ( -6.332 -0.531 -4.159) 7.594 5.755 ( 2.344 2.125 -0.680) 3.236 5.813 ( 5.625 -1.506 2.205) 6.227 6.018 ( -12.412 1.746 -0.733) 12.556 6.084 ( -7.090 -0.467 0.346) 7.114 6.125 ( -0.069 4.315 5.968) 7.365 6.218 ( -0.834 -0.807 -2.698) 2.937 6.253 ( -0.891 0.465 -3.641) 3.777 6.448 ( -1.616 9.669 0.191) 9.805 6.555 ( -4.961 -3.984 -4.203) 7.625 6.759 ( -3.375 -6.717 2.357) 7.879 6.914 ( -4.446 6.484 -3.573) 8.635 7.141 ( -3.761 2.104 0.994) 4.423 7.194 ( 2.121 -4.437 0.008) 4.918 7.365 ( 3.043 -2.446 2.058) 4.413 7.652 ( -4.397 9.566 -2.155) 10.746 7.944 ( -6.521 0.896 6.947) 9.570 8.031 ( -6.481 -1.012 4.331) 7.860 8.138 ( -3.341 0.017 -0.002) 3.341 8.317 ( -6.741 -2.218 4.150) 8.221 8.480 ( 0.372 1.783 -5.060) 5.378 8.566 ( 0.838 -1.216 -2.630) 3.016 8.762 ( -4.034 -7.252 2.818) 8.764 9.008 ( 1.102 2.082 -1.261) 2.672 9.104 ( 1.220 6.516 1.597) 6.819 9.204 ( 7.874 0.450 6.006) 9.914 9.352 ( 6.739 0.405 0.211) 6.755 9.512 ( 9.681 0.966 1.774) 9.890 9.585 ( 7.526 5.286 -8.277) 12.373 9.636 ( 2.406 -1.929 2.381) 3.896 9.812 ( 5.046 -5.196 -4.426) 8.488 10.376 ( 1.521 1.611 0.861) 2.377 10.515 ( 3.785 -3.720 -0.840) 5.373 10.585 ( 0.088 3.405 0.448) 3.436 10.940 ( 6.406 -9.922 -0.969) 11.850 20.551 ( -1.132 1.567 0.035) 1.933 20.579 ( -1.614 0.766 -1.340) 2.233 20.876 ( -2.552 1.875 0.108) 3.169 20.906 ( -2.069 0.555 -0.092) 2.144 22.773 ( -1.385 1.627 -1.579) 2.657 22.844 ( 0.719 -1.001 0.136) 1.240 23.038 ( -0.356 1.642 -0.227) 1.695 23.138 ( 2.384 -2.171 1.025) 3.383 24.611 ( -2.260 -1.002 0.542) 2.531 24.652 ( -1.188 -3.033 0.530) 3.300 24.968 ( 1.425 2.029 0.867) 2.626 25.000 ( 1.415 0.706 0.149) 1.588 25.787 ( -5.425 1.215 -0.270) 5.566 25.814 ( -4.726 0.289 -0.161) 4.737 26.081 ( -3.042 0.662 0.498) 3.153 26.122 ( -3.880 -0.622 -0.301) 3.941 28.319 ( -0.015 -0.016 1.429) 1.429 28.328 ( -0.750 -0.232 1.721) 1.891 28.523 ( -1.289 1.216 0.046) 1.772 28.594 ( -0.845 -1.767 -0.355) 1.991 28.637 ( -0.430 1.104 0.277) 1.217 28.700 ( 1.129 -0.197 0.012) 1.146 28.763 ( 0.716 -1.646 -2.118) 2.776 28.812 ( 3.587 -3.043 -0.290) 4.712 32.343 ( -0.168 1.691 0.788) 1.873 32.423 ( -0.196 -1.137 0.153) 1.164 32.488 ( -0.277 0.594 0.294) 0.718 32.544 ( -0.255 -1.065 -0.978) 1.468 35.412 ( 0.526 0.372 1.500) 1.632 35.433 ( -0.211 -0.562 -0.221) 0.640 35.533 ( -0.175 1.472 -0.306) 1.513 35.565 ( 0.620 -0.044 -0.607) 0.869 88.745 ( 0.802 -0.013 1.774) 1.947 88.770 ( -0.589 -1.088 1.712) 2.112 89.037 ( 5.539 3.294 -0.714) 6.484 89.254 ( 6.244 -6.151 1.735) 8.935 97.640 ( 1.363 0.224 -0.248) 1.403 97.662 ( 0.965 -0.708 0.003) 1.197 97.684 ( 1.686 0.869 -0.231) 1.910 97.755 ( 2.959 -2.152 0.571) 3.704 98.699 ( 0.025 1.037 0.119) 1.044 98.731 ( 0.535 -0.158 0.604) 0.823 98.913 ( -3.210 3.664 0.121) 4.873 98.947 ( -3.881 2.508 -2.167) 5.104 99.668 ( -1.319 1.225 -0.914) 2.019 99.694 ( -2.630 -0.066 -0.433) 2.666 99.820 ( 1.144 4.968 -0.971) 5.189 100.159 ( 5.424 -9.225 -0.051) 10.702 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 9.705 5.936 7.482) 13.616 1.699 ( 6.740 7.212 -7.501) 12.398 1.725 ( 1.774 -0.873 -0.928) 2.184 1.849 ( 8.253 5.465 -3.026) 10.350 1.908 ( 5.197 4.768 -2.968) 7.652 2.080 ( 4.001 -0.586 1.283) 4.242 2.124 ( 0.639 -0.102 -7.797) 7.824 2.225 ( 2.887 -2.509 0.845) 3.917 2.253 ( -4.274 0.418 1.259) 4.475 2.385 ( -2.707 -1.852 1.361) 3.551 2.493 ( -1.667 0.222 1.898) 2.536 2.527 ( -5.001 -0.138 1.182) 5.140 2.655 ( -2.404 0.589 -0.368) 2.502 2.722 ( 1.610 3.029 -0.500) 3.466 2.748 ( -1.774 -5.895 -4.132) 7.414 2.834 ( -1.877 -0.874 -1.896) 2.808 2.884 ( 1.454 0.399 6.280) 6.458 2.987 ( 3.297 0.215 5.099) 6.076 3.046 ( -3.175 -0.067 4.837) 5.786 3.070 ( -1.231 -0.226 -0.416) 1.319 3.176 ( -5.635 1.441 1.660) 6.049 3.246 ( -4.546 -0.766 -0.417) 4.629 3.437 ( 4.807 5.020 0.101) 6.951 3.533 ( 4.178 0.409 -2.666) 4.973 4.378 ( 0.271 -2.030 -0.609) 2.137 4.399 ( -2.076 -1.367 1.784) 3.060 4.529 ( -4.140 -3.313 0.654) 5.343 4.559 ( -1.321 -4.492 2.526) 5.320 4.823 ( -3.951 2.411 2.460) 5.241 4.930 ( 1.288 -0.957 -3.856) 4.177 4.992 ( 0.314 3.054 -2.016) 3.673 5.123 ( -1.705 0.094 -1.481) 2.260 5.202 ( -0.815 -3.220 4.061) 5.246 5.243 ( -1.194 -4.288 -0.217) 4.456 5.277 ( -6.168 -1.319 -0.537) 6.331 5.394 ( -4.126 -7.166 -1.777) 8.457 5.525 ( -5.813 0.775 -2.880) 6.533 5.592 ( -6.480 -0.261 -0.083) 6.486 5.762 ( -7.037 -0.043 -0.451) 7.052 5.830 ( -5.049 2.213 3.081) 6.315 5.858 ( -8.026 -1.707 0.501) 8.220 5.963 ( 2.401 -1.375 0.250) 2.778 6.178 ( -3.643 4.708 2.635) 6.510 6.204 ( 0.152 0.307 -3.618) 3.634 6.256 ( 5.373 -2.428 5.621) 8.146 6.443 ( -1.250 0.698 -1.127) 1.822 6.488 ( 0.528 4.605 -0.613) 4.675 6.667 ( -5.159 -3.419 -0.017) 6.190 6.890 ( -0.404 4.830 1.317) 5.022 7.032 ( -7.564 3.879 -1.813) 8.692 7.231 ( 1.926 -2.977 -0.392) 3.568 7.402 ( 1.160 0.201 -1.147) 1.643 7.655 ( 4.111 6.950 -0.368) 8.083 7.846 ( -6.498 0.969 -1.800) 6.812 7.969 ( -5.978 -1.029 3.351) 6.930 8.095 ( -1.938 -2.167 -1.059) 3.094 8.225 ( -6.974 3.146 1.904) 7.884 8.490 ( 3.088 1.991 0.633) 3.728 8.575 ( 1.154 -0.635 0.025) 1.318 8.716 ( -4.535 -7.750 1.779) 9.154 9.011 ( 1.569 6.722 -2.370) 7.298 9.135 ( 2.891 2.831 -0.375) 4.064 9.369 ( 3.663 0.194 -0.306) 3.681 9.414 ( 2.278 8.484 2.661) 9.179 9.570 ( 2.683 -3.904 -2.056) 5.164 9.675 ( 5.458 -2.435 0.902) 6.045 9.747 ( 6.205 1.971 0.240) 6.515 9.874 ( 7.463 -3.859 -4.322) 9.448 10.416 ( 1.612 0.227 1.533) 2.237 10.526 ( -2.384 -2.904 2.387) 4.451 10.616 ( 3.057 3.492 -1.034) 4.755 11.025 ( 5.216 -11.486 -2.010) 12.774 20.535 ( -0.707 1.260 0.052) 1.446 20.550 ( -1.061 0.802 -0.226) 1.349 20.835 ( -2.282 1.670 0.174) 2.833 20.872 ( -1.760 0.152 -0.179) 1.775 22.743 ( -0.684 1.944 -0.566) 2.137 22.849 ( 0.227 -2.347 -0.177) 2.364 23.039 ( 0.166 2.740 0.138) 2.748 23.180 ( 1.569 -3.013 0.063) 3.398 24.582 ( -1.902 -0.726 0.697) 2.152 24.636 ( -1.215 -3.463 0.365) 3.688 25.000 ( 1.636 2.163 0.231) 2.722 25.019 ( 1.024 1.378 -0.514) 1.793 25.701 ( -4.287 1.562 -0.173) 4.566 25.733 ( -4.450 0.325 -0.037) 4.462 26.036 ( -2.580 0.216 0.140) 2.593 26.061 ( -3.422 -0.700 0.419) 3.518 28.329 ( -0.236 0.326 1.230) 1.295 28.347 ( 0.519 -0.367 1.447) 1.580 28.504 ( -0.895 1.363 -0.112) 1.635 28.574 ( -0.557 -1.688 -1.068) 2.074 28.633 ( -0.498 0.883 0.477) 1.120 28.715 ( 0.755 -1.351 -0.288) 1.575 28.745 ( 0.050 0.845 -1.693) 1.893 28.856 ( 2.127 -3.446 -0.587) 4.092 32.351 ( 0.220 1.055 0.495) 1.186 32.411 ( -1.323 -1.515 0.181) 2.020 32.492 ( 0.728 1.216 -0.240) 1.438 32.530 ( -0.309 -0.262 -0.816) 0.911 35.430 ( 0.170 -0.100 -0.011) 0.197 35.434 ( 0.308 -0.183 1.030) 1.091 35.528 ( -0.137 1.525 -0.055) 1.532 35.571 ( 0.616 -0.285 -0.433) 0.805 88.780 ( 0.319 -0.770 2.052) 2.215 88.787 ( 0.707 -1.178 1.792) 2.258 89.115 ( 4.601 3.586 -0.884) 5.900 89.351 ( 3.345 -6.773 0.815) 7.598 97.663 ( 1.377 0.015 -0.045) 1.378 97.678 ( 0.856 -0.605 0.147) 1.058 97.709 ( 1.395 1.004 0.002) 1.719 97.806 ( 2.227 -3.192 0.564) 3.933 98.704 ( 0.576 1.128 -0.092) 1.270 98.744 ( 0.727 -0.277 0.042) 0.779 98.864 ( -3.232 2.892 0.742) 4.400 98.875 ( -3.324 2.347 -0.177) 4.073 99.622 ( -1.909 0.899 -0.898) 2.294 99.667 ( -0.498 -0.777 0.165) 0.937 99.841 ( 1.537 7.346 -0.245) 7.509 100.220 ( 3.140 -8.919 -1.712) 9.610 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -0.183 3.693 1.208) 3.890 1.664 ( 0.638 1.384 -9.785) 9.903 1.776 ( 7.774 4.568 -3.983) 9.858 1.922 ( 3.602 3.978 -2.493) 5.917 1.959 ( 3.402 4.143 -2.918) 6.103 2.076 ( 3.696 2.247 -5.793) 7.229 2.118 ( 0.829 -0.645 -5.501) 5.601 2.217 ( 1.404 -0.725 3.337) 3.692 2.276 ( 0.159 1.398 0.697) 1.570 2.335 ( -2.430 0.017 -2.274) 3.328 2.414 ( -5.423 -4.138 -3.037) 7.467 2.501 ( -1.964 -0.080 2.848) 3.461 2.578 ( -3.245 -0.161 -2.212) 3.930 2.659 ( -1.094 0.992 -5.309) 5.511 2.720 ( 1.256 -3.016 -2.237) 3.960 2.770 ( -2.790 1.398 -3.834) 4.943 2.958 ( -2.137 1.606 4.037) 4.842 3.008 ( -1.065 -1.300 0.038) 1.680 3.076 ( -1.041 -0.252 6.820) 6.903 3.113 ( -1.982 -0.682 3.747) 4.293 3.189 ( -2.019 0.419 5.961) 6.308 3.206 ( 1.798 -0.401 7.834) 8.048 3.497 ( 2.032 5.670 2.153) 6.396 3.603 ( 4.940 -0.436 0.520) 4.986 4.346 ( -2.028 -3.054 0.831) 3.759 4.435 ( 2.103 -2.672 1.463) 3.701 4.472 ( -4.375 -2.369 2.199) 5.440 4.558 ( -1.626 -3.747 2.193) 4.636 4.788 ( -3.130 1.988 0.119) 3.710 4.922 ( 3.843 -3.371 -6.441) 8.223 4.999 ( 1.902 3.289 -0.666) 3.857 5.063 ( -1.792 2.329 0.304) 2.954 5.190 ( -2.402 -3.234 -0.541) 4.064 5.228 ( -0.861 -3.210 3.186) 4.604 5.260 ( 2.131 -3.660 1.587) 4.523 5.355 ( -0.581 -6.958 0.422) 6.995 5.448 ( -1.956 -1.377 0.131) 2.396 5.506 ( -3.787 -1.212 1.596) 4.285 5.650 ( -2.835 0.004 -0.534) 2.885 5.712 ( -4.407 -2.341 -0.460) 5.012 5.851 ( -1.819 4.894 4.789) 7.085 6.051 ( 4.731 0.914 0.098) 4.820 6.083 ( -5.372 0.966 0.566) 5.487 6.239 ( 0.760 -0.603 1.112) 1.476 6.301 ( -2.255 -0.533 -1.555) 2.790 6.488 ( 6.192 -3.491 6.389) 9.558 6.514 ( -0.289 5.487 1.565) 5.713 6.609 ( -3.076 -2.317 0.943) 3.965 6.894 ( -1.381 9.170 0.282) 9.278 6.909 ( -2.314 0.733 -2.096) 3.207 7.234 ( 0.224 -3.624 -2.513) 4.416 7.377 ( 0.044 -0.926 -5.254) 5.336 7.704 ( 2.479 5.345 -3.713) 6.964 7.740 ( -2.546 5.644 -2.824) 6.806 7.911 ( -3.998 -0.118 1.442) 4.252 8.043 ( -0.467 -1.919 -3.144) 3.713 8.163 ( -3.455 5.980 3.032) 7.543 8.569 ( 2.577 -0.613 3.529) 4.412 8.575 ( -1.205 -0.799 -0.065) 1.447 8.682 ( -1.174 -3.067 2.289) 4.003 9.010 ( 1.423 7.476 -2.642) 8.056 9.185 ( 3.463 0.205 -0.947) 3.596 9.333 ( -1.517 4.547 -4.039) 6.268 9.455 ( -1.782 4.116 0.812) 4.558 9.643 ( 2.327 -5.856 5.028) 8.061 9.735 ( 2.334 -4.195 -0.639) 4.843 9.825 ( 3.767 2.072 -1.169) 4.455 9.932 ( 3.925 -2.955 -3.633) 6.110 10.449 ( 0.244 -0.052 0.374) 0.449 10.515 ( -2.411 0.528 4.250) 4.915 10.648 ( 1.433 1.802 0.016) 2.302 11.058 ( 2.267 -11.651 -3.649) 12.417 20.532 ( 0.153 1.090 0.147) 1.111 20.536 ( -0.579 0.758 0.197) 0.974 20.810 ( -0.947 1.460 0.270) 1.762 20.848 ( -0.683 -0.081 -0.363) 0.778 22.743 ( 0.428 2.035 1.093) 2.349 22.856 ( 0.396 -2.476 0.541) 2.565 23.037 ( -0.167 2.664 -0.477) 2.711 23.185 ( 0.043 -3.352 -1.657) 3.739 24.566 ( -1.003 -0.667 0.953) 1.535 24.623 ( -0.627 -3.543 0.242) 3.607 25.018 ( 0.211 2.349 -0.858) 2.510 25.024 ( 0.747 1.624 -0.578) 1.879 25.652 ( -1.339 1.655 0.114) 2.132 25.677 ( -2.006 0.620 -0.028) 2.100 26.006 ( -0.984 -0.047 0.131) 0.994 26.023 ( -1.524 -0.583 0.302) 1.660 28.336 ( -0.549 0.505 1.190) 1.404 28.365 ( -0.449 -0.640 1.466) 1.661 28.495 ( 0.065 1.444 -0.104) 1.449 28.557 ( 0.293 -1.181 -1.595) 2.006 28.630 ( -0.527 0.636 0.480) 0.956 28.705 ( -0.123 -1.858 -1.951) 2.697 28.750 ( 1.134 1.650 0.587) 2.086 28.870 ( 0.725 -3.429 -1.054) 3.660 32.361 ( 0.536 0.230 0.269) 0.642 32.389 ( -1.439 -1.028 0.096) 1.771 32.503 ( 0.677 1.054 -0.287) 1.285 32.518 ( 0.061 0.443 -0.779) 0.898 35.434 ( 0.088 0.012 0.130) 0.157 35.443 ( -0.403 -0.292 0.564) 0.752 35.528 ( 0.069 1.543 0.196) 1.557 35.575 ( 0.457 -0.444 -0.467) 0.790 88.799 ( -0.490 -0.731 2.146) 2.320 88.823 ( 0.207 -2.040 2.842) 3.505 89.162 ( 2.094 3.433 -1.055) 4.157 89.374 ( -0.089 -5.896 -1.511) 6.088 97.678 ( 0.444 0.045 0.003) 0.446 97.696 ( 0.671 -0.482 0.686) 1.074 97.728 ( 0.616 0.690 0.321) 0.979 97.831 ( 0.290 -3.511 -0.180) 3.528 98.716 ( 0.733 1.267 0.196) 1.476 98.757 ( 0.753 -0.084 -0.159) 0.774 98.826 ( -1.623 2.213 0.409) 2.774 98.833 ( -1.989 2.279 0.626) 3.088 99.605 ( 0.088 1.281 0.649) 1.438 99.673 ( 0.112 -1.085 1.387) 1.764 99.858 ( 0.718 7.158 0.039) 7.194 100.229 ( 1.251 -8.537 -3.526) 9.321 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -10.780 4.263 -3.580) 12.132 1.562 ( -4.358 1.962 -6.157) 7.794 1.788 ( 0.682 6.364 -11.821) 13.443 1.910 ( 6.452 2.814 -4.749) 8.491 1.993 ( 0.744 3.048 -0.988) 3.289 2.050 ( -1.268 -2.893 -7.284) 7.939 2.129 ( 1.844 0.462 1.622) 2.499 2.189 ( -4.522 -0.867 -1.550) 4.858 2.239 ( 1.419 2.469 -6.727) 7.305 2.338 ( 2.966 -1.264 4.169) 5.271 2.356 ( -2.662 -3.908 0.759) 4.789 2.477 ( -2.466 -1.063 0.954) 2.850 2.542 ( 0.739 2.270 -0.308) 2.407 2.611 ( -0.545 2.895 -2.608) 3.934 2.659 ( -3.657 1.854 -2.789) 4.959 2.761 ( 4.751 -1.314 -2.031) 5.332 2.931 ( -4.262 -0.401 -2.048) 4.746 2.989 ( -0.606 -0.851 2.732) 2.925 3.073 ( -2.341 0.030 4.306) 4.901 3.155 ( 1.324 -1.737 3.910) 4.479 3.274 ( -1.333 1.327 6.800) 7.056 3.300 ( 1.034 0.479 7.469) 7.555 3.569 ( 2.691 5.179 3.291) 6.700 3.684 ( 2.733 -0.624 2.111) 3.510 4.342 ( 0.033 -1.656 1.106) 1.992 4.428 ( -3.814 -1.626 2.642) 4.916 4.486 ( 2.731 -4.095 0.678) 4.969 4.560 ( -1.147 -4.031 2.677) 4.974 4.726 ( -1.656 0.239 -1.922) 2.548 4.904 ( 1.899 -6.536 -5.636) 8.837 5.045 ( 2.355 2.729 0.059) 3.606 5.104 ( 5.978 3.120 -0.085) 6.744 5.177 ( -2.323 2.003 3.569) 4.706 5.268 ( 4.851 -5.128 1.406) 7.197 5.318 ( 1.005 -2.701 2.571) 3.862 5.369 ( 1.829 -6.520 0.414) 6.785 5.468 ( 3.806 -1.264 0.364) 4.027 5.497 ( 0.491 -2.277 1.144) 2.595 5.628 ( 1.701 2.713 -0.849) 3.313 5.712 ( 2.263 -0.030 -0.677) 2.363 5.863 ( -2.438 3.361 3.546) 5.460 6.022 ( -4.324 -2.803 2.522) 5.737 6.116 ( 3.828 0.245 -2.070) 4.359 6.216 ( 2.856 -3.098 1.796) 4.580 6.348 ( 1.639 5.563 5.278) 7.841 6.492 ( -3.885 3.881 0.844) 5.556 6.577 ( -1.256 -1.844 0.385) 2.264 6.668 ( 5.225 -5.266 6.667) 9.974 6.850 ( 0.449 6.158 -1.363) 6.323 6.921 ( 3.412 1.384 -2.821) 4.638 7.192 ( -0.754 -4.975 -3.777) 6.292 7.315 ( 0.844 -3.689 -6.396) 7.431 7.653 ( -1.931 6.379 -3.828) 7.686 7.685 ( -1.507 8.618 -4.029) 9.632 7.873 ( -0.976 1.573 0.918) 2.066 8.054 ( 4.867 2.732 -2.593) 6.154 8.163 ( -1.091 3.816 3.615) 5.368 8.554 ( 0.928 -3.113 -1.815) 3.721 8.635 ( 0.176 -0.426 3.369) 3.400 8.710 ( 0.042 -0.673 3.429) 3.495 8.998 ( 0.535 7.246 -2.750) 7.769 9.216 ( 1.520 -1.273 -1.575) 2.532 9.265 ( -3.604 3.483 -0.176) 5.014 9.396 ( -4.663 1.051 -1.100) 4.905 9.673 ( -2.501 -3.374 0.218) 4.205 9.752 ( -1.274 -2.995 0.473) 3.289 9.851 ( -0.151 1.008 0.869) 1.340 9.941 ( 2.437 -3.003 -3.237) 5.043 10.420 ( -4.101 2.581 1.491) 5.070 10.545 ( 0.991 0.465 2.405) 2.643 10.663 ( -0.864 0.064 1.727) 1.932 11.025 ( -0.502 -10.719 -4.883) 11.789 20.532 ( 0.006 1.084 0.203) 1.103 20.546 ( 1.121 0.719 0.355) 1.378 20.812 ( 0.824 1.359 0.381) 1.634 20.844 ( 0.776 0.012 -0.509) 0.928 22.777 ( 1.169 1.933 2.355) 3.263 22.863 ( -0.381 -1.018 -0.065) 1.089 23.032 ( 0.240 1.140 0.211) 1.184 23.149 ( -1.091 -3.078 -3.011) 4.442 24.569 ( 0.038 -0.712 1.154) 1.357 24.621 ( 0.157 -3.311 0.107) 3.316 24.998 ( -1.142 2.460 -0.951) 2.874 25.021 ( -0.297 1.414 -0.976) 1.744 25.657 ( 1.491 1.518 0.251) 2.142 25.676 ( 2.106 0.875 -0.089) 2.282 26.009 ( 0.996 0.006 0.382) 1.066 26.022 ( 1.232 -0.255 0.088) 1.261 28.333 ( -1.387 0.411 1.103) 1.819 28.359 ( -2.016 -0.652 1.299) 2.485 28.504 ( 0.975 1.525 0.230) 1.825 28.554 ( 1.341 -0.347 -1.562) 2.088 28.625 ( -0.415 0.585 0.090) 0.723 28.687 ( 0.392 -1.505 -1.674) 2.285 28.779 ( 1.009 0.227 0.966) 1.415 28.859 ( -0.340 -3.333 -1.621) 3.721 32.362 ( -1.136 -0.055 0.319) 1.181 32.379 ( 0.670 -0.749 -0.148) 1.015 32.497 ( -0.507 1.420 -0.523) 1.596 32.526 ( 1.230 0.135 -0.498) 1.334 35.428 ( -1.196 0.253 0.099) 1.226 35.440 ( -0.302 -0.310 0.374) 0.571 35.535 ( 0.346 1.407 0.419) 1.508 35.576 ( 0.338 -0.441 -0.487) 0.739 88.808 ( -1.398 -0.691 2.435) 2.892 88.850 ( -1.213 -2.970 3.692) 4.891 89.163 ( -0.967 2.828 -0.376) 3.013 89.323 ( -2.455 -4.222 -3.590) 6.061 97.680 ( -0.446 0.330 0.289) 0.625 97.704 ( -0.383 0.191 0.107) 0.441 97.740 ( -0.191 -0.889 1.465) 1.724 97.813 ( -1.471 -2.922 -0.947) 3.406 98.723 ( -0.646 1.277 0.480) 1.509 98.748 ( -1.295 0.410 -0.435) 1.427 98.828 ( 1.283 2.487 0.505) 2.843 98.846 ( 3.019 1.803 0.745) 3.595 99.633 ( 1.431 1.580 1.624) 2.680 99.688 ( -0.143 0.490 0.871) 1.009 99.873 ( 0.136 4.117 1.954) 4.559 100.188 ( -0.419 -8.290 -5.509) 9.962 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -12.325 8.904 -4.042) 15.733 1.350 ( -12.140 7.385 -4.789) 14.995 1.721 ( 1.700 -0.594 -6.481) 6.726 1.842 ( -2.911 -5.090 -7.325) 9.383 1.932 ( -3.203 -0.239 -1.481) 3.537 2.064 ( 0.668 3.646 2.073) 4.247 2.122 ( 1.001 4.336 -2.191) 4.960 2.138 ( -0.692 -4.715 -2.880) 5.568 2.241 ( 4.738 2.439 -2.232) 5.777 2.305 ( -6.733 -0.803 4.817) 8.318 2.433 ( -0.363 1.336 1.000) 1.708 2.443 ( -1.179 1.434 0.371) 1.893 2.514 ( -4.348 5.254 -0.914) 6.881 2.578 ( 1.158 2.362 1.753) 3.161 2.643 ( 4.538 -1.295 -3.408) 5.821 2.836 ( 4.486 -4.047 -0.372) 6.053 2.843 ( -1.116 1.737 -2.142) 2.975 3.015 ( 1.187 -2.992 0.235) 3.228 3.106 ( 0.714 2.014 3.695) 4.269 3.229 ( 2.969 -0.930 3.368) 4.585 3.303 ( -0.602 1.126 2.460) 2.772 3.364 ( -1.423 -0.809 4.962) 5.226 3.632 ( 1.008 4.081 1.954) 4.636 3.725 ( -0.914 -0.482 2.264) 2.489 4.339 ( -1.528 -0.404 0.139) 1.586 4.422 ( -0.393 -1.804 2.491) 3.101 4.528 ( 1.986 -4.191 -0.797) 4.706 4.600 ( 3.204 -3.816 2.545) 5.595 4.717 ( 2.375 -0.941 -0.944) 2.723 4.894 ( 3.305 -6.569 -2.461) 7.754 5.059 ( -0.788 4.022 0.136) 4.101 5.145 ( -0.797 3.043 1.774) 3.612 5.239 ( 4.288 -1.739 2.207) 5.127 5.336 ( 0.304 -5.061 -0.169) 5.073 5.393 ( 3.589 -1.970 1.052) 4.227 5.432 ( 6.395 -3.822 0.653) 7.479 5.515 ( 2.808 0.723 -3.825) 4.800 5.546 ( 5.061 -1.622 -1.041) 5.415 5.699 ( 5.114 2.014 0.184) 5.499 5.752 ( 5.133 0.756 -1.550) 5.415 5.845 ( 0.378 1.798 1.609) 2.443 5.968 ( -5.015 -4.311 1.573) 6.797 6.187 ( 5.747 6.925 1.515) 9.125 6.362 ( -0.041 3.657 0.391) 3.678 6.424 ( 2.332 -0.776 7.537) 7.928 6.439 ( -0.470 5.388 2.632) 6.015 6.596 ( 5.289 -4.890 0.408) 7.215 6.730 ( -1.442 -6.413 0.803) 6.622 6.924 ( 5.248 0.431 -0.325) 5.276 6.961 ( 7.072 3.906 -0.795) 8.118 7.155 ( 0.570 -6.884 -1.503) 7.069 7.286 ( 2.813 -5.850 -5.019) 8.205 7.577 ( -1.099 7.734 -5.492) 9.549 7.614 ( -1.425 7.575 -3.267) 8.372 7.916 ( 3.552 3.152 2.209) 5.237 8.117 ( 3.883 7.850 0.825) 8.797 8.204 ( 1.457 0.512 3.438) 3.769 8.560 ( 1.387 -3.474 -1.829) 4.164 8.657 ( -0.436 0.007 2.236) 2.278 8.741 ( 1.543 -1.068 -0.012) 1.877 8.965 ( -2.683 6.873 -0.395) 7.389 9.190 ( -2.759 1.714 -1.198) 3.462 9.225 ( -1.259 -2.373 -0.161) 2.691 9.292 ( -6.908 -1.135 0.547) 7.022 9.596 ( -5.107 -1.509 -1.723) 5.597 9.666 ( -6.944 0.235 -2.432) 7.361 9.854 ( -1.568 -0.555 1.900) 2.525 9.938 ( -0.457 -3.107 -1.405) 3.441 10.367 ( -3.821 4.384 1.555) 6.020 10.580 ( 0.989 1.984 0.307) 2.238 10.652 ( -3.664 -3.563 3.529) 6.211 10.948 ( -2.145 -9.176 -4.970) 10.654 20.541 ( 0.824 1.494 0.134) 1.711 20.578 ( 2.364 0.431 0.376) 2.432 20.843 ( 2.265 1.400 0.448) 2.700 20.861 ( 1.873 0.408 -0.533) 1.990 22.817 ( 0.157 1.277 1.327) 1.849 22.839 ( -0.813 0.902 -0.846) 1.480 23.053 ( 0.692 -0.678 1.419) 1.718 23.100 ( -0.605 -1.992 -2.457) 3.220 24.589 ( 0.733 -0.770 1.234) 1.629 24.629 ( 0.696 -2.787 -0.040) 2.873 24.965 ( -1.755 2.317 -0.457) 2.942 24.996 ( -1.263 1.028 -1.038) 1.931 25.706 ( 4.152 1.557 -0.087) 4.435 25.735 ( 4.629 0.565 -0.005) 4.663 26.042 ( 2.354 0.505 0.318) 2.428 26.068 ( 4.024 0.061 0.532) 4.059 28.316 ( -1.837 0.171 1.001) 2.099 28.331 ( -2.608 -0.417 1.074) 2.851 28.528 ( 1.030 1.494 0.839) 2.000 28.566 ( 1.836 0.383 -1.181) 2.216 28.619 ( 0.093 0.326 -0.544) 0.641 28.680 ( 0.208 -2.309 -1.016) 2.531 28.796 ( 0.203 -0.650 -0.102) 0.689 28.828 ( -1.201 -2.855 -1.450) 3.420 32.347 ( -1.036 0.572 0.424) 1.257 32.389 ( 0.576 -1.128 -0.303) 1.303 32.483 ( -0.388 1.914 -0.542) 2.027 32.541 ( 1.255 -0.599 -0.441) 1.459 35.404 ( -1.569 0.799 0.012) 1.761 35.438 ( -0.384 -0.662 0.419) 0.873 35.548 ( 0.588 1.240 0.637) 1.513 35.576 ( 0.186 -0.184 -0.474) 0.542 88.803 ( -2.250 -0.690 2.458) 3.403 88.860 ( -2.548 -3.792 4.030) 6.092 89.127 ( -3.843 1.472 1.376) 4.340 89.229 ( -3.516 -2.719 -4.099) 6.046 97.670 ( -1.100 0.461 0.389) 1.254 97.689 ( -1.215 0.402 -0.253) 1.305 97.745 ( -1.664 -2.044 1.479) 3.022 97.773 ( -1.877 -2.101 -0.551) 2.871 98.708 ( -1.269 0.922 0.243) 1.587 98.720 ( -1.200 0.323 -0.613) 1.386 98.881 ( 3.781 3.450 0.852) 5.189 98.931 ( 5.869 2.186 1.207) 6.378 99.666 ( -0.003 2.893 -0.043) 2.893 99.691 ( 1.007 1.679 0.445) 2.008 99.907 ( -0.306 -0.261 4.427) 4.446 100.097 ( -2.163 -7.672 -7.494) 10.940 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -8.456 14.655 -1.856) 17.021 1.130 ( -12.012 12.810 3.240) 17.858 1.620 ( -5.313 -7.063 -3.149) 9.383 1.833 ( 3.007 -7.077 1.241) 7.788 1.889 ( -0.871 0.955 -0.127) 1.298 1.982 ( -10.149 8.962 1.247) 13.597 2.092 ( 1.488 -2.608 -2.861) 4.148 2.140 ( -4.141 3.839 -2.970) 6.380 2.223 ( -4.859 5.765 0.595) 7.563 2.321 ( 4.279 4.104 1.581) 6.136 2.330 ( -3.486 1.642 0.853) 3.947 2.434 ( 0.245 0.323 -0.836) 0.930 2.548 ( 1.484 0.655 5.427) 5.664 2.636 ( 2.185 0.433 1.030) 2.454 2.693 ( 4.676 -3.301 -2.148) 6.113 2.818 ( 0.302 -1.545 -0.511) 1.655 2.907 ( 3.344 -3.744 -1.302) 5.186 3.036 ( 2.474 -4.138 -1.253) 4.981 3.166 ( 2.441 4.305 2.547) 5.566 3.292 ( 0.175 2.069 -0.136) 2.080 3.320 ( 0.515 -1.001 1.320) 1.735 3.383 ( 2.467 -0.447 -0.146) 2.511 3.632 ( -2.084 2.839 -0.252) 3.531 3.700 ( -3.997 -0.673 0.986) 4.171 4.315 ( -0.554 -1.261 -0.767) 1.577 4.439 ( -0.774 -4.477 1.894) 4.922 4.557 ( 4.235 -1.495 -2.067) 4.943 4.680 ( 3.074 -5.008 0.292) 5.884 4.778 ( 4.828 1.411 0.642) 5.071 4.979 ( 5.618 -4.504 2.280) 7.553 5.048 ( 1.654 3.732 0.281) 4.092 5.193 ( 2.884 1.075 3.507) 4.666 5.271 ( -3.061 -4.399 -3.786) 6.561 5.313 ( 1.184 -3.416 3.386) 4.953 5.462 ( 4.114 0.837 -3.556) 5.502 5.498 ( 1.449 0.506 -2.631) 3.046 5.520 ( 3.934 -1.295 -5.011) 6.502 5.589 ( -0.797 -3.855 2.760) 4.808 5.745 ( 2.373 1.266 1.712) 3.188 5.846 ( 3.456 -2.119 -0.257) 4.062 5.888 ( -0.541 0.956 0.440) 1.183 5.988 ( 8.670 -1.670 1.089) 8.897 6.270 ( -2.822 6.101 -2.334) 7.115 6.293 ( 0.534 7.507 1.411) 7.657 6.424 ( -2.644 1.803 2.838) 4.277 6.486 ( -0.216 1.414 -2.124) 2.561 6.696 ( 1.956 -1.691 -0.602) 2.655 6.846 ( 12.029 -5.554 2.905) 13.564 6.953 ( 2.523 0.988 -1.365) 3.034 7.120 ( 7.652 4.472 0.644) 8.886 7.203 ( 2.688 -8.000 3.847) 9.275 7.317 ( 5.820 -3.887 1.228) 7.106 7.524 ( 4.549 5.794 -6.750) 9.991 7.575 ( -0.271 4.749 -2.338) 5.300 7.989 ( 2.364 3.082 0.542) 3.922 8.225 ( 6.037 3.297 2.868) 7.453 8.282 ( 1.441 3.406 7.997) 8.811 8.542 ( -1.743 -3.590 -1.173) 4.159 8.671 ( 0.373 -0.040 -0.253) 0.453 8.763 ( 3.365 -0.587 -4.073) 5.316 8.906 ( -6.204 5.672 3.863) 9.251 9.097 ( -5.446 2.412 -3.257) 6.788 9.195 ( -0.363 -1.314 -3.270) 3.542 9.228 ( -4.712 -7.801 7.119) 11.565 9.466 ( -9.819 1.959 -0.327) 10.018 9.522 ( -4.743 0.645 -3.546) 5.957 9.829 ( -2.080 -1.425 -1.108) 2.754 9.898 ( -3.264 -3.678 0.368) 4.932 10.333 ( -1.371 5.781 0.189) 5.944 10.546 ( -4.588 4.216 -1.692) 6.457 10.641 ( -2.414 -6.665 4.268) 8.275 10.860 ( -2.364 -7.604 -3.993) 8.908 20.560 ( 1.276 2.043 -0.032) 2.409 20.633 ( 4.016 -0.378 -0.215) 4.039 20.888 ( 2.444 1.231 -0.581) 2.798 20.894 ( 2.543 1.117 0.484) 2.820 22.787 ( -1.097 1.749 -1.742) 2.701 22.846 ( -0.231 -0.347 0.718) 0.830 23.057 ( 0.208 0.082 -0.946) 0.973 23.102 ( 0.497 -1.301 1.320) 1.919 24.616 ( 0.823 -0.811 1.298) 1.738 24.642 ( 0.817 -2.104 -0.072) 2.258 24.935 ( -1.665 1.921 0.254) 2.555 24.963 ( -1.512 0.692 -0.511) 1.740 25.786 ( 5.415 1.440 -0.328) 5.613 25.815 ( 4.783 0.339 -0.138) 4.797 26.088 ( 2.634 1.402 0.119) 2.987 26.162 ( 6.020 -0.751 1.038) 6.155 28.297 ( -1.669 -0.062 1.201) 2.057 28.302 ( -2.108 -0.208 1.101) 2.387 28.551 ( 0.064 1.144 1.567) 1.941 28.589 ( 2.385 0.716 -1.098) 2.721 28.619 ( 0.603 -0.121 -0.519) 0.805 28.657 ( -2.032 -3.125 -1.120) 3.892 28.775 ( -1.250 -0.860 -1.640) 2.235 28.802 ( -0.770 -1.607 -0.314) 1.810 32.338 ( -0.762 1.036 0.674) 1.452 32.390 ( -0.061 -1.074 -0.165) 1.088 32.474 ( -0.043 2.178 -0.478) 2.230 32.558 ( 1.249 -1.368 -0.452) 1.907 35.380 ( -1.306 1.237 0.264) 1.818 35.438 ( 0.077 -1.054 0.246) 1.085 35.565 ( 0.287 0.632 0.398) 0.800 35.574 ( 0.506 0.469 -0.216) 0.723 88.788 ( -2.541 -0.664 2.243) 3.454 88.852 ( -3.391 -4.191 3.948) 6.682 89.062 ( -5.698 0.086 1.219) 5.827 89.135 ( -3.984 -2.625 -1.616) 5.037 97.653 ( -1.281 0.408 0.207) 1.361 97.664 ( -1.235 0.193 -0.190) 1.264 97.713 ( -2.067 -1.003 -0.340) 2.322 97.745 ( -2.562 -2.646 1.126) 3.851 98.691 ( -0.839 0.603 0.013) 1.033 98.699 ( -0.753 0.228 -0.174) 0.805 98.956 ( 3.930 4.463 0.452) 5.963 99.066 ( 8.772 1.598 1.082) 8.982 99.647 ( -0.278 3.542 -1.032) 3.700 99.720 ( 1.092 1.130 0.205) 1.585 99.942 ( -2.136 -3.070 2.892) 4.728 99.961 ( -3.325 -4.673 -6.747) 8.856 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -2.658 16.434 9.197) 19.019 1.049 ( -4.467 18.642 7.794) 20.694 1.513 ( -7.921 -2.463 2.706) 8.726 1.798 ( -10.060 14.605 2.535) 17.915 1.853 ( -0.302 -11.604 -0.118) 11.608 1.948 ( -0.277 4.957 5.231) 7.212 2.023 ( 1.571 2.561 -7.008) 7.625 2.113 ( 0.672 -0.124 -5.859) 5.898 2.136 ( -1.336 -2.525 -0.221) 2.866 2.317 ( -1.813 0.211 4.972) 5.296 2.406 ( 1.442 7.805 1.978) 8.180 2.481 ( 2.517 -3.407 3.967) 5.804 2.594 ( -2.330 -1.058 2.473) 3.559 2.666 ( 1.498 0.115 0.762) 1.685 2.740 ( 1.516 -5.668 1.508) 6.058 2.852 ( 3.657 -0.494 1.122) 3.857 2.913 ( -0.294 -4.407 -1.569) 4.687 3.081 ( 4.066 -3.308 -0.797) 5.302 3.218 ( 1.113 1.971 -1.426) 2.675 3.282 ( 2.040 6.403 -2.215) 7.076 3.290 ( -1.264 -1.952 -4.170) 4.775 3.445 ( 3.355 1.570 -1.081) 3.859 3.570 ( -2.998 2.122 -2.386) 4.380 3.621 ( -4.755 -1.002 -1.909) 5.221 4.311 ( 1.106 -2.271 -0.644) 2.607 4.436 ( -1.948 -7.093 2.247) 7.692 4.619 ( 6.136 -0.077 -5.317) 8.120 4.710 ( 2.327 -3.808 -2.067) 4.918 4.861 ( 3.061 1.806 2.484) 4.336 5.054 ( 2.682 -0.857 1.490) 3.185 5.143 ( 3.363 -0.186 -0.117) 3.370 5.216 ( 0.197 0.668 2.346) 2.447 5.299 ( 1.956 0.380 1.582) 2.545 5.327 ( 1.413 -0.941 -0.025) 1.698 5.439 ( 0.949 -0.084 -6.072) 6.146 5.480 ( -1.785 -1.755 -1.109) 2.738 5.517 ( 1.012 -1.681 -1.436) 2.432 5.591 ( -3.804 -4.622 6.312) 8.699 5.803 ( -2.508 0.099 -2.682) 3.673 5.840 ( 5.394 -1.174 2.152) 5.925 5.979 ( 6.055 -0.884 4.304) 7.481 6.116 ( 3.823 -3.700 0.532) 5.346 6.190 ( -2.846 3.637 -2.470) 5.238 6.264 ( -2.089 2.770 -1.335) 3.717 6.419 ( -1.412 1.801 1.861) 2.950 6.447 ( -2.659 -0.100 -0.279) 2.675 6.734 ( 4.806 8.923 -6.204) 11.883 6.936 ( 3.793 -0.650 -1.414) 4.100 7.051 ( 4.789 2.996 0.882) 5.717 7.193 ( 2.100 4.933 -0.607) 5.395 7.218 ( -0.331 -2.123 -3.607) 4.198 7.500 ( 0.953 -1.090 0.988) 1.753 7.530 ( 5.503 4.832 1.325) 7.442 7.699 ( 13.505 -4.418 8.180) 16.395 8.023 ( 1.048 4.527 2.188) 5.136 8.315 ( 3.621 -1.287 -1.572) 4.152 8.409 ( -0.739 3.038 8.358) 8.924 8.491 ( -1.624 -6.535 -0.735) 6.773 8.657 ( 0.757 0.830 -2.697) 2.921 8.756 ( -1.043 -0.860 -0.012) 1.352 8.842 ( -6.221 3.908 2.880) 7.891 8.987 ( -5.838 1.729 2.354) 6.527 9.162 ( -2.644 -2.044 1.126) 3.526 9.257 ( 2.465 -7.401 0.818) 7.843 9.311 ( -6.041 4.041 -0.825) 7.315 9.431 ( -3.491 -1.949 -2.066) 4.501 9.759 ( -2.249 -0.497 -5.012) 5.516 9.854 ( -2.581 -4.658 1.032) 5.424 10.323 ( 1.225 6.307 -2.022) 6.736 10.431 ( -5.187 3.497 -2.237) 6.644 10.641 ( -2.940 -3.947 3.460) 6.016 10.798 ( -0.639 -6.702 -2.494) 7.180 20.577 ( 0.894 2.515 -0.316) 2.687 20.690 ( 3.568 -1.861 -2.211) 4.592 20.914 ( 1.460 1.529 -0.468) 2.165 20.941 ( 2.282 0.907 0.006) 2.456 22.766 ( 0.241 1.901 -0.668) 2.029 22.842 ( -0.439 -1.189 -0.002) 1.267 23.056 ( 0.477 1.174 -0.508) 1.366 23.114 ( -0.455 -1.103 0.480) 1.287 24.641 ( 0.345 -1.049 1.420) 1.799 24.653 ( 0.532 -1.557 0.056) 1.646 24.918 ( -1.073 1.541 0.800) 2.041 24.943 ( -0.795 0.275 0.645) 1.060 25.864 ( 4.092 1.082 -0.432) 4.254 25.881 ( 3.114 0.498 -0.214) 3.160 26.124 ( 1.543 2.168 -0.023) 2.661 26.265 ( 4.790 -3.466 -0.566) 5.939 28.285 ( -1.293 -0.052 1.297) 1.832 28.300 ( -0.223 -0.819 2.664) 2.796 28.562 ( -1.025 0.456 1.850) 2.164 28.593 ( -3.462 -1.087 -0.365) 3.647 28.622 ( 2.610 0.307 -0.779) 2.741 28.629 ( 0.838 -0.068 -0.263) 0.881 28.732 ( -2.603 0.225 -0.377) 2.640 28.791 ( 0.688 -1.815 -1.610) 2.522 32.335 ( -0.623 1.358 0.913) 1.751 32.389 ( -0.056 -0.819 0.576) 1.003 32.472 ( 0.261 1.992 -0.117) 2.013 32.571 ( 0.922 -2.007 -0.628) 2.296 35.368 ( -0.754 1.469 0.727) 1.804 35.445 ( 0.557 -1.603 -0.146) 1.703 35.560 ( -0.264 0.917 -0.638) 1.148 35.589 ( 0.605 -0.058 0.028) 0.608 88.768 ( -2.603 -0.519 2.102) 3.386 88.833 ( -4.495 -4.008 4.539) 7.541 88.979 ( -4.506 0.424 0.022) 4.525 89.060 ( -3.075 -3.049 -0.788) 4.401 97.635 ( -0.807 0.452 -0.108) 0.931 97.648 ( -0.576 0.028 -0.019) 0.577 97.683 ( -1.025 -0.484 -0.255) 1.161 97.704 ( -3.127 -1.734 0.372) 3.595 98.683 ( -0.193 0.448 0.154) 0.511 98.693 ( -0.391 0.268 0.622) 0.782 99.007 ( 2.211 5.320 -0.835) 5.821 99.207 ( 7.423 -2.223 -3.694) 8.584 99.657 ( 1.666 2.890 0.340) 3.353 99.723 ( 0.528 -0.154 -0.637) 0.841 99.816 ( -3.312 1.557 -3.354) 4.964 99.955 ( -2.304 -3.803 2.514) 5.108 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.755 -10.838 12.449) 16.599 1.388 ( 1.755 10.838 12.449) 16.599 1.498 ( -2.936 -18.488 4.011) 19.144 1.498 ( -2.936 18.488 4.011) 19.144 1.967 ( 0.880 -4.933 -2.555) 5.625 1.967 ( 0.880 4.933 -2.555) 5.625 2.052 ( 2.384 -6.409 -5.444) 8.740 2.052 ( 2.384 6.409 -5.444) 8.740 2.205 ( -4.343 -12.085 2.015) 12.999 2.205 ( -4.343 12.085 2.015) 12.999 2.535 ( -0.018 -1.412 5.086) 5.278 2.535 ( -0.018 1.412 5.086) 5.278 2.611 ( 0.555 -7.320 5.589) 9.226 2.611 ( 0.555 7.320 5.589) 9.226 2.743 ( 0.451 -4.579 0.724) 4.658 2.743 ( 0.451 4.579 0.724) 4.658 3.048 ( 0.540 -4.993 0.280) 5.030 3.048 ( 0.540 4.993 0.280) 5.030 3.186 ( 1.366 -1.168 -7.321) 7.538 3.186 ( 1.366 1.168 -7.321) 7.538 3.439 ( 1.138 -2.990 -3.655) 4.858 3.439 ( 1.138 2.990 -3.655) 4.858 3.507 ( -3.054 -2.278 -3.233) 4.997 3.507 ( -3.054 2.278 -3.233) 4.997 4.331 ( 0.549 -2.335 2.155) 3.224 4.331 ( 0.549 2.335 2.155) 3.224 4.627 ( 0.035 -2.192 -4.652) 5.143 4.627 ( 0.035 2.192 -4.652) 5.143 5.050 ( 5.116 -4.220 2.943) 7.256 5.050 ( 5.116 4.220 2.943) 7.256 5.213 ( -4.856 -0.794 1.654) 5.191 5.213 ( -4.856 0.794 1.654) 5.191 5.299 ( -5.829 -2.604 -0.950) 6.454 5.299 ( -5.829 2.604 -0.950) 6.454 5.416 ( 1.553 -2.086 1.649) 3.080 5.416 ( 1.553 2.086 1.649) 3.080 5.534 ( 2.265 -2.319 1.283) 3.486 5.534 ( 2.265 2.319 1.283) 3.486 5.849 ( 2.667 -4.608 -2.033) 5.699 5.849 ( 2.667 4.608 -2.033) 5.699 6.069 ( 0.535 -1.217 3.423) 3.672 6.069 ( 0.535 1.217 3.423) 3.672 6.231 ( 1.342 -2.538 -2.953) 4.119 6.231 ( 1.342 2.538 -2.953) 4.119 6.416 ( -0.770 -2.293 2.703) 3.627 6.416 ( -0.770 2.293 2.703) 3.627 6.928 ( -1.410 -11.536 -6.338) 13.238 6.928 ( -1.410 11.536 -6.338) 13.238 7.081 ( -1.616 -1.536 -3.129) 3.842 7.081 ( -1.616 1.536 -3.129) 3.842 7.343 ( -2.754 -5.116 -2.468) 6.312 7.343 ( -2.754 5.116 -2.468) 6.312 7.835 ( 5.456 -5.789 9.482) 12.377 7.835 ( 5.456 5.789 9.482) 12.377 8.276 ( -7.438 -7.413 2.209) 10.731 8.276 ( -7.438 7.413 2.209) 10.731 8.327 ( 5.086 -7.546 -2.041) 9.327 8.327 ( 5.086 7.546 -2.041) 9.327 8.741 ( 0.271 -0.659 4.604) 4.658 8.741 ( 0.271 0.659 4.604) 4.658 8.894 ( -3.036 -8.498 0.173) 9.026 8.894 ( -3.036 8.498 0.173) 9.026 9.128 ( -1.869 -1.801 0.464) 2.637 9.128 ( -1.869 1.801 0.464) 2.637 9.347 ( 2.506 -2.657 0.201) 3.658 9.347 ( 2.506 2.657 0.201) 3.658 9.738 ( 0.408 -3.635 -3.578) 5.117 9.738 ( 0.408 3.635 -3.578) 5.117 10.405 ( 0.674 -1.385 -2.015) 2.536 10.405 ( 0.674 1.385 -2.015) 2.536 10.656 ( 0.882 -5.065 -0.172) 5.144 10.656 ( 0.882 5.065 -0.172) 5.144 20.638 ( 0.022 -2.707 -1.482) 3.086 20.638 ( 0.022 2.707 -1.482) 3.086 20.955 ( 0.058 -0.923 -0.106) 0.931 20.955 ( 0.058 0.923 -0.106) 0.931 22.813 ( 0.623 -1.341 0.233) 1.497 22.813 ( 0.623 1.341 0.233) 1.497 23.080 ( -0.347 -0.870 -0.608) 1.117 23.080 ( -0.347 0.870 -0.608) 1.117 24.640 ( -0.365 -0.263 0.464) 0.646 24.640 ( -0.365 0.263 0.464) 0.646 24.942 ( 0.082 -0.726 1.180) 1.388 24.942 ( 0.082 0.726 1.180) 1.388 25.912 ( 0.267 -0.142 -0.279) 0.411 25.912 ( 0.267 0.142 -0.279) 0.411 26.196 ( -0.343 -3.472 -1.200) 3.690 26.196 ( -0.343 3.472 -1.200) 3.690 28.298 ( -0.553 -0.977 2.223) 2.490 28.298 ( -0.553 0.977 2.223) 2.490 28.566 ( -0.846 -0.686 1.367) 1.748 28.566 ( -0.846 0.686 1.367) 1.748 28.645 ( 0.989 -0.462 0.122) 1.098 28.645 ( 0.989 0.462 0.122) 1.098 28.735 ( 0.529 -2.507 -1.749) 3.102 28.735 ( 0.529 2.507 -1.749) 3.102 32.373 ( -0.172 -1.666 1.233) 2.080 32.373 ( -0.172 1.666 1.233) 2.080 32.521 ( 0.305 -2.397 -0.688) 2.512 32.521 ( 0.305 2.397 -0.688) 2.512 35.407 ( -0.085 -1.900 0.519) 1.971 35.407 ( -0.085 1.900 0.519) 1.971 35.574 ( -0.112 -0.889 -0.781) 1.189 35.574 ( -0.112 0.889 -0.781) 1.189 88.760 ( -2.936 -1.315 2.779) 4.251 88.760 ( -2.936 1.315 2.779) 4.251 88.981 ( 1.591 -2.762 -1.091) 3.369 88.981 ( 1.591 2.762 -1.091) 3.369 97.637 ( -0.412 -0.489 0.099) 0.647 97.637 ( -0.412 0.489 0.099) 0.647 97.668 ( 0.268 -0.472 -0.354) 0.648 97.668 ( 0.268 0.472 -0.354) 0.648 98.698 ( 0.109 -0.281 0.899) 0.948 98.698 ( 0.109 0.281 0.899) 0.948 99.116 ( -0.523 -4.485 -3.861) 5.941 99.116 ( -0.523 4.485 -3.861) 5.941 99.732 ( 1.335 -2.961 1.386) 3.531 99.732 ( 1.335 2.961 1.386) 3.531 99.853 ( -0.230 -2.888 -0.040) 2.897 99.853 ( -0.230 2.888 -0.040) 2.897 ======================= Grid point 92 (49/92) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.562 -14.596 6.037) 16.192 1.449 ( -3.562 14.596 6.037) 16.192 1.620 ( 6.608 -7.404 8.868) 13.309 1.620 ( 6.608 7.404 8.868) 13.309 1.955 ( 1.727 -2.337 -3.184) 4.311 1.955 ( 1.727 2.337 -3.184) 4.311 2.048 ( 2.552 -5.449 -3.625) 7.025 2.048 ( 2.552 5.449 -3.625) 7.025 2.262 ( 5.423 -5.630 6.831) 10.381 2.262 ( 5.423 5.630 6.831) 10.381 2.511 ( -4.747 -2.706 0.480) 5.485 2.511 ( -4.747 2.706 0.480) 5.485 2.653 ( -2.280 -2.639 1.925) 3.984 2.653 ( -2.280 2.639 1.925) 3.984 2.808 ( 1.448 -3.129 7.644) 8.386 2.808 ( 1.448 3.129 7.644) 8.386 2.987 ( -1.716 -2.305 -7.352) 7.894 2.987 ( -1.716 2.305 -7.352) 7.894 3.160 ( -1.493 -2.593 -0.295) 3.006 3.160 ( -1.493 2.593 -0.295) 3.006 3.377 ( -0.339 -1.484 -7.572) 7.724 3.377 ( -0.339 1.484 -7.572) 7.724 3.457 ( 0.694 -4.760 -2.527) 5.434 3.457 ( 0.694 4.760 -2.527) 5.434 4.373 ( 0.866 -2.952 2.947) 4.261 4.373 ( 0.866 2.952 2.947) 4.261 4.562 ( -1.549 -3.720 -4.201) 5.821 4.562 ( -1.549 3.720 -4.201) 5.821 5.088 ( -9.064 -2.201 2.661) 9.699 5.088 ( -9.064 2.201 2.661) 9.699 5.123 ( -0.607 -2.216 -2.804) 3.625 5.123 ( -0.607 2.216 -2.804) 3.625 5.229 ( -2.975 -6.948 3.588) 8.367 5.229 ( -2.975 6.948 3.588) 8.367 5.437 ( -0.608 -2.740 0.009) 2.807 5.437 ( -0.608 2.740 0.009) 2.807 5.616 ( 4.235 -2.282 3.118) 5.733 5.616 ( 4.235 2.282 3.118) 5.733 5.823 ( -1.035 -2.176 -4.789) 5.361 5.823 ( -1.035 2.176 -4.789) 5.361 6.121 ( -0.227 -2.892 3.202) 4.321 6.121 ( -0.227 2.892 3.202) 4.321 6.227 ( 1.617 -1.490 -2.845) 3.595 6.227 ( 1.617 1.490 -2.845) 3.595 6.449 ( -2.136 -9.078 3.818) 10.078 6.449 ( -2.136 9.078 3.818) 10.078 6.715 ( -8.792 -8.619 -7.274) 14.300 6.715 ( -8.792 8.619 -7.274) 14.300 7.083 ( -0.892 -1.233 1.202) 1.940 7.083 ( -0.892 1.233 1.202) 1.940 7.259 ( -2.347 -2.665 -2.121) 4.136 7.259 ( -2.347 2.665 -2.121) 4.136 7.945 ( -2.935 -2.936 7.276) 8.377 7.945 ( -2.935 2.936 7.276) 8.377 8.104 ( -6.875 -5.823 -3.294) 9.593 8.104 ( -6.875 5.823 -3.294) 9.593 8.436 ( 0.203 -8.754 6.356) 10.820 8.436 ( 0.203 8.754 6.356) 10.820 8.685 ( -4.937 -4.778 -6.340) 9.349 8.685 ( -4.937 4.778 -6.340) 9.349 8.988 ( 7.876 -1.490 6.812) 10.519 8.988 ( 7.876 1.490 6.812) 10.519 9.140 ( 4.087 -1.215 -0.046) 4.264 9.140 ( 4.087 1.215 -0.046) 4.264 9.438 ( 6.208 -3.715 1.806) 7.457 9.438 ( 6.208 3.715 1.806) 7.457 9.709 ( 1.596 -3.987 -4.841) 6.472 9.709 ( 1.596 3.987 -4.841) 6.472 10.413 ( 2.251 -2.449 -1.855) 3.808 10.413 ( 2.251 2.449 -1.855) 3.808 10.681 ( 2.431 -6.983 -0.294) 7.400 10.681 ( 2.431 6.983 -0.294) 7.400 20.611 ( -1.276 -1.679 -1.221) 2.436 20.611 ( -1.276 1.679 -1.221) 2.436 20.941 ( -1.597 -0.740 -0.074) 1.762 20.941 ( -1.597 0.740 -0.074) 1.762 22.823 ( 0.207 -0.350 -0.188) 0.448 22.823 ( 0.207 0.350 -0.188) 0.448 23.071 ( 0.174 -0.891 -0.196) 0.929 23.071 ( 0.174 0.891 -0.196) 0.929 24.631 ( -1.310 -0.546 0.461) 1.492 24.631 ( -1.310 0.546 0.461) 1.492 24.965 ( 1.172 -0.876 1.083) 1.820 24.965 ( 1.172 0.876 1.083) 1.820 25.883 ( -3.228 -0.262 -0.279) 3.250 25.883 ( -3.228 0.262 -0.279) 3.250 26.158 ( -2.546 -2.127 -0.907) 3.440 26.158 ( -2.546 2.127 -0.907) 3.440 28.311 ( -0.658 -0.773 2.064) 2.300 28.311 ( -0.658 0.773 2.064) 2.300 28.567 ( -0.624 -1.432 0.594) 1.671 28.567 ( -0.624 1.432 0.594) 1.671 28.662 ( 0.507 -0.848 0.572) 1.142 28.662 ( 0.507 0.848 0.572) 1.142 28.738 ( 2.087 -1.888 -1.671) 3.273 28.738 ( 2.087 1.888 -1.671) 3.273 32.383 ( -0.340 -2.061 1.169) 2.393 32.383 ( -0.340 2.061 1.169) 2.393 32.518 ( 0.249 -1.988 -0.723) 2.130 32.518 ( 0.249 1.988 -0.723) 2.130 35.413 ( 0.025 -1.316 0.647) 1.467 35.413 ( 0.025 1.316 0.647) 1.467 35.563 ( -0.050 -0.638 -0.795) 1.021 35.563 ( -0.050 0.638 -0.795) 1.021 88.746 ( -1.632 -1.092 2.007) 2.808 88.746 ( -1.632 1.092 2.007) 2.808 89.034 ( 5.216 -4.070 -0.364) 6.626 89.034 ( 5.216 4.070 -0.364) 6.626 97.636 ( 0.416 -0.536 -0.016) 0.679 97.636 ( 0.416 0.536 -0.016) 0.679 97.681 ( 1.579 -1.058 -0.210) 1.912 97.681 ( 1.579 1.058 -0.210) 1.912 98.711 ( 0.173 -0.391 0.875) 0.974 98.711 ( 0.173 0.391 0.875) 0.974 99.044 ( -3.080 -2.379 -3.037) 4.936 99.044 ( -3.080 2.379 -3.037) 4.936 99.734 ( -1.977 -1.320 -0.203) 2.385 99.734 ( -1.977 1.320 -0.203) 2.385 99.890 ( 3.865 -5.052 0.799) 6.411 99.890 ( 3.865 5.052 0.799) 6.411 ======================= Grid point 94 (50/92) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.633 -12.982 5.822) 14.321 1.493 ( 1.633 12.982 5.822) 14.321 1.799 ( 6.222 -4.395 2.213) 7.933 1.799 ( 6.222 4.395 2.213) 7.933 1.969 ( 5.622 -0.338 -4.114) 6.975 1.969 ( 5.622 0.338 -4.114) 6.975 2.078 ( 3.782 -6.195 -1.053) 7.334 2.078 ( 3.782 6.195 -1.053) 7.334 2.392 ( -4.487 -4.493 1.541) 6.534 2.392 ( -4.487 4.493 1.541) 6.534 2.485 ( 3.194 -1.909 8.172) 8.979 2.485 ( 3.194 1.909 8.172) 8.979 2.624 ( -1.368 -0.586 0.832) 1.705 2.624 ( -1.368 0.586 0.832) 1.705 2.841 ( -2.613 -1.491 -2.321) 3.799 2.841 ( -2.613 1.491 -2.321) 3.799 2.915 ( 0.205 -3.401 -0.759) 3.491 2.915 ( 0.205 3.401 -0.759) 3.491 3.112 ( -4.748 -2.760 1.924) 5.819 3.112 ( -4.748 2.760 1.924) 5.819 3.291 ( -3.129 -1.590 -2.967) 4.596 3.291 ( -3.129 1.590 -2.967) 4.596 3.470 ( 4.861 -3.996 -4.161) 7.544 3.470 ( 4.861 3.996 -4.161) 7.544 4.401 ( -0.683 -3.528 0.974) 3.723 4.401 ( -0.683 3.528 0.974) 3.723 4.506 ( -1.397 -3.262 -1.010) 3.690 4.506 ( -1.397 3.262 -1.010) 3.690 4.956 ( -8.163 -2.885 2.710) 9.072 4.956 ( -8.163 2.885 2.710) 9.072 5.087 ( 0.249 -3.614 -2.976) 4.688 5.087 ( 0.249 3.614 -2.976) 4.688 5.212 ( -2.625 -4.290 0.873) 5.105 5.212 ( -2.625 4.290 0.873) 5.105 5.390 ( -5.161 -2.189 -0.048) 5.607 5.390 ( -5.161 2.189 -0.048) 5.607 5.677 ( -2.968 -3.028 -0.587) 4.280 5.677 ( -2.968 3.028 -0.587) 4.280 5.790 ( 4.258 -1.226 -0.270) 4.439 5.790 ( 4.258 1.226 -0.270) 4.439 6.059 ( -11.793 -1.786 -0.282) 11.931 6.059 ( -11.793 1.786 -0.282) 11.931 6.181 ( -1.846 -1.627 -2.293) 3.363 6.181 ( -1.846 1.627 -2.293) 3.363 6.398 ( -2.090 -9.815 0.783) 10.065 6.398 ( -2.090 9.815 0.783) 10.065 6.618 ( -1.936 -6.428 -0.142) 6.714 6.618 ( -1.936 6.428 -0.142) 6.714 7.041 ( -2.540 -6.113 -0.682) 6.655 7.041 ( -2.540 6.113 -0.682) 6.655 7.265 ( 1.026 -5.956 2.982) 6.739 7.265 ( 1.026 5.956 2.982) 6.739 7.892 ( -4.048 -10.099 -2.480) 11.159 7.892 ( -4.048 10.099 -2.480) 11.159 8.021 ( -4.956 -1.990 3.105) 6.177 8.021 ( -4.956 1.990 3.105) 6.177 8.460 ( -3.176 -7.412 3.154) 8.658 8.460 ( -3.176 7.412 3.154) 8.658 8.574 ( -0.964 -4.967 -2.632) 5.703 8.574 ( -0.964 4.967 -2.632) 5.703 9.113 ( 4.046 -5.376 -1.084) 6.815 9.113 ( 4.046 5.376 -1.084) 6.815 9.285 ( 6.545 -6.233 6.048) 10.875 9.285 ( 6.545 6.233 6.048) 10.875 9.561 ( 4.089 -3.706 2.245) 5.958 9.561 ( 4.089 3.706 2.245) 5.958 9.707 ( 6.729 -5.147 -6.208) 10.503 9.707 ( 6.729 5.147 -6.208) 10.503 10.430 ( 1.402 -3.432 -0.641) 3.763 10.430 ( 1.402 3.432 -0.641) 3.763 10.729 ( 3.874 -9.054 -0.888) 9.888 10.729 ( 3.874 9.054 -0.888) 9.888 20.578 ( -1.474 -0.788 -0.529) 1.753 20.578 ( -1.474 0.788 -0.529) 1.753 20.905 ( -2.454 -0.731 -0.043) 2.561 20.905 ( -2.454 0.731 -0.043) 2.561 22.812 ( -0.602 -1.816 -1.026) 2.171 22.812 ( -0.602 1.816 -1.026) 2.171 23.085 ( 1.034 -2.582 0.659) 2.858 23.085 ( 1.034 2.582 0.659) 2.858 24.609 ( -1.782 -0.939 0.472) 2.069 24.609 ( -1.782 0.939 0.472) 2.069 24.999 ( 1.717 -0.808 0.550) 1.976 24.999 ( 1.717 0.808 0.550) 1.976 25.810 ( -4.918 -0.684 -0.284) 4.974 25.810 ( -4.918 0.684 -0.284) 4.974 26.101 ( -3.448 -1.118 -0.179) 3.629 26.101 ( -3.448 1.118 -0.179) 3.629 28.322 ( -0.266 -0.247 1.658) 1.697 28.322 ( -0.266 0.247 1.658) 1.697 28.555 ( -0.838 -1.743 -0.313) 1.959 28.555 ( -0.838 1.743 -0.313) 1.959 28.670 ( 0.081 -1.948 0.021) 1.950 28.670 ( 0.081 1.948 0.021) 1.950 28.764 ( 2.316 -1.472 -0.829) 2.867 28.764 ( 2.316 1.472 -0.829) 2.867 32.385 ( -0.666 -2.040 0.758) 2.276 32.385 ( -0.666 2.040 0.758) 2.276 32.515 ( 0.386 -1.513 -0.648) 1.691 32.515 ( 0.386 1.513 -0.648) 1.691 35.421 ( 0.192 -0.511 0.596) 0.808 35.421 ( 0.192 0.511 0.596) 0.808 35.557 ( 0.154 -0.746 -0.476) 0.898 35.557 ( 0.154 0.746 -0.476) 0.898 88.751 ( -0.116 -0.612 1.625) 1.740 88.751 ( -0.116 0.612 1.625) 1.740 89.129 ( 5.959 -5.199 -0.002) 7.908 89.129 ( 5.959 5.199 -0.002) 7.908 97.649 ( 1.040 -0.525 -0.029) 1.165 97.649 ( 1.040 0.525 -0.029) 1.165 97.712 ( 2.093 -1.714 0.017) 2.705 97.712 ( 2.093 1.714 0.017) 2.705 98.721 ( 0.254 -0.811 0.316) 0.907 98.721 ( 0.254 0.811 0.316) 0.907 98.964 ( -3.803 -0.880 -1.019) 4.035 98.964 ( -3.803 0.880 -1.019) 4.035 99.686 ( -2.377 -0.591 -1.085) 2.679 99.686 ( -2.377 0.591 -1.085) 2.679 99.967 ( 3.942 -8.308 0.497) 9.209 99.967 ( 3.942 8.308 0.497) 9.209 ======================= Grid point 96 (51/92) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 4.808 -7.018 4.506) 9.627 1.611 ( 4.808 7.018 4.506) 9.627 1.847 ( 4.083 -4.398 -7.011) 9.228 1.847 ( 4.083 4.398 -7.011) 9.228 2.059 ( 7.489 -3.917 -2.780) 8.898 2.059 ( 7.489 3.917 -2.780) 8.898 2.129 ( 3.806 -2.775 -1.715) 5.012 2.129 ( 3.806 2.775 -1.715) 5.012 2.320 ( -4.405 -4.584 2.040) 6.677 2.320 ( -4.405 4.584 2.040) 6.677 2.519 ( -5.073 -2.026 3.040) 6.251 2.519 ( -5.073 2.026 3.040) 6.251 2.640 ( 0.358 -1.174 -4.086) 4.266 2.640 ( 0.358 1.174 -4.086) 4.266 2.801 ( 0.332 -2.497 -0.917) 2.681 2.801 ( 0.332 2.497 -0.917) 2.681 2.948 ( 1.056 -3.880 6.779) 7.881 2.948 ( 1.056 3.880 6.779) 7.881 3.058 ( -3.032 -1.167 1.948) 3.788 3.058 ( -3.032 1.167 1.948) 3.788 3.209 ( -5.073 -1.882 0.469) 5.431 3.209 ( -5.073 1.882 0.469) 5.431 3.519 ( 4.470 -2.231 -1.499) 5.216 3.519 ( 4.470 2.231 -1.499) 5.216 4.373 ( -1.834 -1.246 -0.926) 2.403 4.373 ( -1.834 1.246 -0.926) 2.403 4.492 ( -1.781 -0.929 2.379) 3.113 4.492 ( -1.781 0.929 2.379) 3.113 4.889 ( -2.534 -3.078 0.463) 4.013 4.889 ( -2.534 3.078 0.463) 4.013 5.074 ( 1.478 -4.213 -2.128) 4.945 5.074 ( 1.478 4.213 -2.128) 4.945 5.178 ( -1.881 -2.270 -0.046) 2.949 5.178 ( -1.881 2.270 -0.046) 2.949 5.284 ( -6.562 -2.607 0.421) 7.073 5.284 ( -6.562 2.607 0.421) 7.073 5.563 ( -6.793 -2.171 -1.629) 7.315 5.563 ( -6.793 2.171 -1.629) 7.315 5.789 ( -9.658 -2.414 -1.924) 10.139 5.789 ( -9.658 2.414 -1.924) 10.139 5.910 ( 1.225 -3.153 2.989) 4.514 5.910 ( 1.225 3.153 2.989) 4.514 6.199 ( 2.006 -1.345 3.029) 3.874 6.199 ( 2.006 1.345 3.029) 3.874 6.358 ( -3.266 -6.936 -1.551) 7.822 6.358 ( -3.266 6.937 -1.551) 7.822 6.588 ( -1.206 -3.721 0.483) 3.941 6.588 ( -1.206 3.721 0.483) 3.941 7.004 ( -2.596 -6.139 0.757) 6.709 7.004 ( -2.596 6.139 0.757) 6.709 7.301 ( 0.561 -7.654 -0.293) 7.680 7.301 ( 0.561 7.654 -0.293) 7.680 7.824 ( 0.458 -5.914 -4.284) 7.317 7.824 ( 0.458 5.914 -4.284) 7.317 7.968 ( -4.032 -3.750 1.607) 5.736 7.968 ( -4.032 3.750 1.607) 5.736 8.423 ( -4.149 -10.090 2.400) 11.171 8.423 ( -4.149 10.090 2.400) 11.171 8.581 ( 1.324 -2.440 1.611) 3.210 8.581 ( 1.324 2.440 1.611) 3.210 9.150 ( 4.531 -4.554 -4.784) 8.010 9.150 ( 4.531 4.554 -4.784) 8.010 9.414 ( 0.713 -5.891 6.254) 8.621 9.414 ( 0.713 5.891 6.254) 8.621 9.591 ( 0.689 -5.083 -0.607) 5.165 9.591 ( 0.689 5.083 -0.607) 5.165 9.806 ( 8.822 -2.952 -3.444) 9.920 9.806 ( 8.822 2.952 -3.444) 9.920 10.451 ( 0.681 -2.962 1.341) 3.322 10.451 ( 0.681 2.962 1.341) 3.322 10.780 ( 3.607 -10.507 -1.706) 11.239 10.780 ( 3.607 10.507 -1.706) 11.239 20.554 ( -1.000 -0.397 -0.034) 1.076 20.554 ( -1.000 0.397 -0.034) 1.076 20.864 ( -2.180 -0.901 -0.059) 2.360 20.864 ( -2.180 0.901 -0.059) 2.360 22.793 ( -0.359 -2.626 -0.474) 2.692 22.793 ( -0.359 2.626 -0.474) 2.692 23.108 ( 0.779 -3.488 0.169) 3.578 23.108 ( 0.779 3.488 0.169) 3.578 24.585 ( -1.588 -1.213 0.520) 2.065 24.585 ( -1.588 1.213 0.520) 2.065 25.029 ( 1.550 -0.496 -0.123) 1.632 25.029 ( 1.550 0.496 -0.123) 1.632 25.728 ( -4.184 -0.824 -0.166) 4.267 25.728 ( -4.184 0.824 -0.166) 4.267 26.045 ( -3.064 -0.678 0.190) 3.144 26.045 ( -3.064 0.678 0.190) 3.144 28.337 ( 0.025 -0.451 1.509) 1.575 28.337 ( 0.025 0.451 1.509) 1.575 28.537 ( -0.483 -1.714 -0.770) 1.941 28.537 ( -0.483 1.714 -0.770) 1.941 28.667 ( -0.146 -2.187 -0.399) 2.228 28.667 ( -0.146 2.187 -0.399) 2.228 28.789 ( 1.455 -2.669 -0.495) 3.080 28.789 ( 1.455 2.669 -0.495) 3.080 32.378 ( -0.732 -1.482 0.364) 1.693 32.378 ( -0.732 1.482 0.364) 1.693 32.517 ( 0.489 -0.973 -0.542) 1.216 32.517 ( 0.489 0.973 -0.542) 1.216 35.431 ( 0.236 -0.111 0.457) 0.526 35.431 ( 0.236 0.111 0.457) 0.526 35.557 ( 0.189 -1.029 -0.228) 1.071 35.557 ( 0.189 1.029 -0.228) 1.071 88.772 ( 0.330 -0.162 1.764) 1.802 88.772 ( 0.330 0.162 1.764) 1.802 89.215 ( 4.295 -5.617 -0.438) 7.085 89.215 ( 4.295 5.617 -0.438) 7.085 97.667 ( 1.012 -0.365 0.161) 1.088 97.667 ( 1.012 0.365 0.161) 1.088 97.745 ( 1.720 -2.352 0.042) 2.914 97.745 ( 1.720 2.352 0.042) 2.914 98.729 ( 0.719 -1.069 -0.105) 1.293 98.729 ( 0.719 1.069 -0.105) 1.293 98.899 ( -3.601 -0.246 0.383) 3.630 98.899 ( -3.601 0.246 0.383) 3.630 99.646 ( -1.313 -1.129 -0.329) 1.763 99.646 ( -1.313 1.129 -0.329) 1.763 100.021 ( 2.566 -9.196 -0.651) 9.569 100.021 ( 2.566 9.196 -0.651) 9.569 ======================= Grid point 98 (52/92) ======================= q-point: ( 0.44 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.913 -1.347 -3.458) 3.822 1.667 ( -0.913 1.348 -3.458) 3.822 1.872 ( 7.321 -4.108 -2.589) 8.785 1.872 ( 7.321 4.108 -2.589) 8.785 2.091 ( 0.217 -1.091 -7.105) 7.191 2.091 ( 0.217 1.091 -7.105) 7.191 2.162 ( 4.698 -5.340 -3.631) 7.986 2.162 ( 4.698 5.340 -3.631) 7.986 2.291 ( -2.133 -2.911 1.691) 3.986 2.291 ( -2.133 2.911 1.691) 3.986 2.447 ( -5.067 -5.447 0.297) 7.445 2.447 ( -5.067 5.447 0.297) 7.445 2.590 ( 0.080 -2.791 -2.575) 3.798 2.590 ( 0.080 2.791 -2.575) 3.798 2.771 ( -0.605 -2.175 -3.300) 3.998 2.771 ( -0.605 2.175 -3.300) 3.998 2.980 ( -2.813 -1.140 2.546) 3.962 2.980 ( -2.813 1.140 2.546) 3.962 3.092 ( -2.647 -1.208 4.316) 5.205 3.092 ( -2.647 1.208 4.316) 5.205 3.194 ( 0.897 -0.620 8.362) 8.433 3.194 ( 0.897 0.620 8.362) 8.433 3.583 ( 3.429 -2.047 1.161) 4.158 3.583 ( 3.429 2.047 1.161) 4.158 4.345 ( -0.704 -3.220 0.143) 3.299 4.345 ( -0.704 3.220 0.143) 3.299 4.488 ( -2.129 -2.475 2.871) 4.347 4.488 ( -2.129 2.475 2.871) 4.347 4.849 ( -1.205 -3.351 -3.665) 5.110 4.849 ( -1.205 3.351 -3.665) 5.110 5.083 ( 0.963 -4.074 -1.851) 4.578 5.083 ( 0.963 4.074 -1.851) 4.578 5.150 ( 1.366 -4.596 1.031) 4.904 5.150 ( 1.366 4.596 1.031) 4.904 5.240 ( -2.002 -3.141 3.567) 5.157 5.240 ( -2.002 3.141 3.567) 5.157 5.467 ( -3.291 -1.970 0.346) 3.851 5.467 ( -3.291 1.970 0.346) 3.851 5.670 ( -2.288 -1.572 -0.118) 2.778 5.670 ( -2.288 1.572 -0.118) 2.778 5.963 ( -0.550 -5.111 4.124) 6.590 5.963 ( -0.550 5.111 4.124) 6.590 6.175 ( -4.082 -4.025 -3.969) 6.973 6.175 ( -4.082 4.025 -3.969) 6.973 6.384 ( 3.942 -5.897 6.206) 9.425 6.384 ( 3.942 5.897 6.206) 9.425 6.577 ( -1.077 -1.254 -0.023) 1.653 6.577 ( -1.077 1.254 -0.023) 1.653 6.964 ( -2.311 -3.568 -0.206) 4.256 6.964 ( -2.311 3.568 -0.206) 4.256 7.271 ( -0.197 -6.904 -5.397) 8.765 7.271 ( -0.197 6.904 -5.397) 8.765 7.803 ( 0.978 -2.756 -3.212) 4.343 7.803 ( 0.978 2.756 -3.212) 4.343 7.933 ( -0.917 -5.555 -0.072) 5.630 7.933 ( -0.917 5.555 -0.072) 5.630 8.385 ( -2.893 -11.447 2.064) 11.986 8.385 ( -2.893 11.447 2.064) 11.986 8.631 ( 0.828 -2.515 3.677) 4.531 8.631 ( 0.828 2.515 3.677) 4.531 9.163 ( 3.701 -4.649 -5.581) 8.152 9.163 ( 3.701 4.649 -5.581) 8.152 9.426 ( -4.048 -5.290 1.851) 6.913 9.426 ( -4.048 5.290 1.851) 6.913 9.626 ( 1.812 -4.436 2.624) 5.463 9.626 ( 1.812 4.436 2.624) 5.463 9.880 ( 4.407 -2.383 -3.444) 6.080 9.880 ( 4.407 2.383 -3.444) 6.080 10.478 ( -0.354 -2.571 2.975) 3.948 10.478 ( -0.354 2.571 2.975) 3.948 10.804 ( 1.937 -11.039 -2.601) 11.505 10.804 ( 1.937 11.039 -2.601) 11.505 20.544 ( -0.281 -0.084 0.201) 0.355 20.544 ( -0.281 0.084 0.201) 0.355 20.837 ( -0.865 -0.950 -0.105) 1.289 20.837 ( -0.865 0.950 -0.105) 1.289 22.796 ( 0.484 -2.803 0.961) 3.002 22.796 ( 0.484 2.803 0.961) 3.002 23.108 ( -0.197 -3.667 -1.211) 3.867 23.108 ( -0.197 3.667 -1.211) 3.867 24.571 ( -0.802 -1.289 0.618) 1.640 24.571 ( -0.802 1.289 0.618) 1.640 25.043 ( 0.541 -0.050 -0.728) 0.909 25.043 ( 0.541 0.050 -0.728) 0.909 25.678 ( -1.549 -0.594 0.013) 1.659 25.678 ( -1.549 0.594 0.013) 1.659 26.010 ( -1.258 -0.456 0.278) 1.366 26.010 ( -1.258 0.456 0.278) 1.366 28.350 ( -0.669 -0.705 1.518) 1.803 28.350 ( -0.669 0.705 1.518) 1.803 28.527 ( 0.496 -1.518 -0.898) 1.832 28.527 ( 0.496 1.518 -0.898) 1.832 28.659 ( -0.151 -2.005 -0.572) 2.090 28.659 ( -0.151 2.005 -0.572) 2.090 28.801 ( 0.630 -2.881 -0.481) 2.988 28.801 ( 0.630 2.881 -0.481) 2.988 32.371 ( -0.471 -0.639 0.145) 0.807 32.371 ( -0.471 0.639 0.145) 0.807 32.519 ( 0.416 -0.352 -0.476) 0.723 32.519 ( 0.416 0.352 -0.476) 0.723 35.437 ( -0.116 -0.251 0.364) 0.457 35.437 ( -0.116 0.251 0.364) 0.457 35.558 ( 0.215 -1.135 -0.157) 1.166 35.558 ( 0.215 1.135 -0.157) 1.166 88.795 ( -0.236 -0.517 2.211) 2.283 88.795 ( -0.236 0.517 2.211) 2.283 89.253 ( 1.400 -5.063 -1.353) 5.425 89.253 ( 1.400 5.063 -1.353) 5.425 97.684 ( 0.488 -0.479 0.548) 0.876 97.684 ( 0.488 0.479 0.548) 0.876 97.764 ( 0.526 -2.542 -0.245) 2.608 97.764 ( 0.526 2.542 -0.245) 2.608 98.744 ( 0.897 -1.113 0.058) 1.430 98.744 ( 0.897 1.113 0.058) 1.430 98.855 ( -2.055 -0.268 0.595) 2.156 98.855 ( -2.055 0.268 0.595) 2.156 99.641 ( 0.107 -1.776 1.271) 2.186 99.641 ( 0.107 1.776 1.271) 2.186 100.035 ( 0.820 -9.028 -1.983) 9.279 100.035 ( 0.820 9.028 -1.983) 9.279 ======================= Grid point 100 (53/92) ======================= q-point: (-0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -5.812 -2.305 -3.755) 7.294 1.560 ( -5.812 2.305 -3.755) 7.294 1.921 ( -3.274 -4.649 -12.472) 13.707 1.921 ( -3.274 4.649 -12.472) 13.707 1.990 ( 4.096 -1.376 -0.891) 4.412 1.990 ( 4.096 1.376 -0.891) 4.412 2.181 ( 2.743 -3.538 -6.605) 7.979 2.181 ( 2.743 3.538 -6.605) 7.979 2.277 ( -3.252 -2.220 4.879) 6.270 2.277 ( -3.252 2.220 4.879) 6.270 2.391 ( -0.459 -5.443 -0.105) 5.464 2.391 ( -0.459 5.443 -0.105) 5.464 2.593 ( 1.242 -2.446 -0.703) 2.832 2.593 ( 1.242 2.446 -0.703) 2.832 2.732 ( -0.447 -2.568 -1.891) 3.220 2.732 ( -0.447 2.568 -1.891) 3.220 2.951 ( -2.289 -2.141 0.754) 3.223 2.951 ( -2.289 2.141 0.754) 3.223 3.107 ( 0.237 -2.407 4.062) 4.727 3.107 ( 0.237 2.407 4.062) 4.727 3.296 ( -0.958 -0.729 7.958) 8.049 3.296 ( -0.958 0.729 7.958) 8.049 3.655 ( 2.584 -2.538 2.408) 4.349 3.655 ( 2.584 2.538 2.408) 4.349 4.356 ( 0.890 -3.200 0.857) 3.431 4.356 ( 0.890 3.200 0.857) 3.431 4.484 ( -1.274 -2.641 2.449) 3.821 4.484 ( -1.274 2.641 2.449) 3.821 4.777 ( -1.132 -4.523 -4.189) 6.268 4.777 ( -1.132 4.523 -4.189) 6.268 5.111 ( 4.350 -3.039 -1.302) 5.464 5.111 ( 4.350 3.039 -1.302) 5.464 5.237 ( 2.334 -3.074 2.581) 4.643 5.237 ( 2.334 3.074 2.581) 4.643 5.253 ( 1.709 -4.692 2.950) 5.800 5.253 ( 1.709 4.692 2.950) 5.800 5.464 ( 2.259 -0.821 0.681) 2.498 5.464 ( 2.259 0.821 0.681) 2.498 5.689 ( 3.487 -2.247 -0.496) 4.178 5.689 ( 3.487 2.247 -0.496) 4.178 5.942 ( -5.849 -3.940 2.265) 7.407 5.942 ( -5.849 3.940 2.266) 7.407 6.148 ( 5.114 -2.601 0.930) 5.813 6.148 ( 5.114 2.601 0.930) 5.813 6.501 ( -0.049 -6.986 4.035) 8.068 6.501 ( -0.049 6.986 4.035) 8.068 6.559 ( 0.142 -2.539 1.457) 2.931 6.559 ( 0.142 2.539 1.457) 2.931 6.937 ( 0.767 -3.030 -1.749) 3.582 6.937 ( 0.767 3.030 -1.749) 3.582 7.197 ( -0.220 -5.595 -6.779) 8.793 7.197 ( -0.220 5.595 -6.779) 8.793 7.760 ( -2.135 -2.128 -3.146) 4.357 7.760 ( -2.135 2.128 -3.146) 4.357 7.956 ( 3.718 -7.009 0.092) 7.935 7.956 ( 3.718 7.009 0.092) 7.935 8.378 ( -0.517 -11.315 1.884) 11.483 8.378 ( -0.517 11.315 1.884) 11.483 8.673 ( -0.348 -2.528 3.252) 4.134 8.673 ( -0.348 2.528 3.252) 4.134 9.154 ( 1.440 -5.520 -4.260) 7.120 9.154 ( 1.440 5.520 -4.260) 7.120 9.351 ( -5.780 -4.063 0.419) 7.077 9.351 ( -5.780 4.063 0.419) 7.077 9.661 ( -1.367 -2.811 1.802) 3.608 9.661 ( -1.367 2.811 1.802) 3.608 9.895 ( 1.607 -2.098 -2.439) 3.596 9.895 ( 1.607 2.098 -2.439) 3.596 10.494 ( -1.815 -3.952 3.367) 5.500 10.494 ( -1.815 3.952 3.367) 5.500 10.790 ( 0.101 -10.171 -3.004) 10.606 10.790 ( 0.101 10.171 -3.004) 10.606 20.549 ( 0.551 -0.405 0.298) 0.746 20.549 ( 0.551 0.405 0.298) 0.746 20.836 ( 0.921 -0.774 -0.124) 1.210 20.836 ( 0.921 0.774 -0.124) 1.210 22.824 ( 0.720 -2.277 1.750) 2.960 22.824 ( 0.720 2.277 1.750) 2.960 23.081 ( -0.628 -3.049 -1.994) 3.697 23.081 ( -0.628 3.049 -1.994) 3.697 24.573 ( 0.174 -1.172 0.686) 1.369 24.573 ( 0.174 1.172 0.686) 1.369 25.031 ( -0.830 -0.549 -0.989) 1.403 25.031 ( -0.830 0.549 -0.989) 1.403 25.681 ( 1.778 -0.482 0.063) 1.843 25.681 ( 1.778 0.482 0.063) 1.843 26.013 ( 1.270 -0.382 0.335) 1.368 26.013 ( 1.270 0.382 0.335) 1.368 28.344 ( -1.818 -0.647 1.361) 2.361 28.344 ( -1.818 0.647 1.361) 2.361 28.536 ( 1.532 -1.267 -0.676) 2.099 28.536 ( 1.532 1.267 -0.676) 2.099 28.650 ( -0.176 -1.669 -0.740) 1.834 28.650 ( -0.176 1.669 -0.740) 1.834 28.801 ( 0.035 -1.902 -0.492) 1.965 28.801 ( 0.035 1.902 -0.492) 1.965 32.366 ( -0.173 -0.416 0.049) 0.453 32.366 ( -0.173 0.416 0.049) 0.453 32.520 ( 0.287 -0.692 -0.446) 0.872 32.520 ( 0.287 0.692 -0.446) 0.872 35.433 ( -0.697 -0.284 0.288) 0.805 35.433 ( -0.697 0.284 0.288) 0.805 35.561 ( 0.354 -0.980 -0.081) 1.045 35.561 ( 0.354 0.980 -0.081) 1.045 88.808 ( -1.333 -0.894 2.665) 3.111 88.808 ( -1.333 0.894 2.665) 3.111 89.234 ( -1.481 -3.839 -1.921) 4.541 89.234 ( -1.481 3.839 -1.921) 4.541 97.693 ( -0.423 -0.847 0.824) 1.255 97.693 ( -0.423 0.847 0.824) 1.255 97.757 ( -0.720 -2.068 -0.481) 2.242 97.757 ( -0.720 2.068 -0.481) 2.242 98.746 ( -1.023 -0.697 0.108) 1.242 98.746 ( -1.023 0.697 0.108) 1.242 98.861 ( 2.314 -0.456 0.688) 2.456 98.861 ( 2.314 0.456 0.688) 2.456 99.671 ( 0.958 -1.678 2.289) 2.996 99.671 ( 0.958 1.678 2.289) 2.996 100.008 ( -0.813 -7.898 -2.920) 8.460 100.008 ( -0.813 7.898 -2.920) 8.460 ======================= Grid point 102 (54/92) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -7.218 -4.124 -3.102) 8.873 1.413 ( -7.218 4.124 -3.102) 8.873 1.717 ( -6.836 -3.846 -6.653) 10.285 1.717 ( -6.836 3.846 -6.653) 10.285 2.007 ( 0.242 -5.448 -2.317) 5.925 2.007 ( 0.242 5.448 -2.317) 5.925 2.158 ( 1.441 -2.541 -5.143) 5.914 2.158 ( 1.441 2.541 -5.143) 5.914 2.278 ( -0.821 -2.186 3.711) 4.384 2.278 ( -0.821 2.186 3.711) 4.384 2.438 ( 2.380 -1.729 3.327) 4.441 2.438 ( 2.380 1.729 3.327) 4.441 2.599 ( 1.454 -1.938 -1.405) 2.801 2.599 ( 1.454 1.938 -1.405) 2.801 2.704 ( -2.726 -7.150 -0.663) 7.680 2.704 ( -2.726 7.150 -0.663) 7.680 2.931 ( 0.450 -4.704 -1.099) 4.852 2.931 ( 0.450 4.704 -1.099) 4.852 3.177 ( 3.168 -3.695 3.368) 5.919 3.177 ( 3.168 3.695 3.368) 5.919 3.334 ( -1.677 -1.596 4.238) 4.829 3.334 ( -1.677 1.596 4.238) 4.829 3.700 ( -0.310 -2.088 1.819) 2.786 3.700 ( -0.310 2.088 1.819) 2.786 4.362 ( -1.173 -2.703 0.227) 2.955 4.362 ( -1.173 2.703 0.227) 2.955 4.521 ( 2.989 -2.810 1.319) 4.309 4.521 ( 2.989 2.810 1.319) 4.309 4.763 ( 3.679 -4.814 -1.212) 6.179 4.763 ( 3.679 4.814 -1.212) 6.179 5.151 ( 1.024 -4.015 -0.745) 4.210 5.151 ( 1.024 4.015 -0.745) 4.210 5.232 ( -1.196 -3.184 0.661) 3.465 5.232 ( -1.196 3.184 0.661) 3.465 5.382 ( 6.306 -0.798 2.776) 6.936 5.382 ( 6.306 0.798 2.776) 6.936 5.530 ( 4.695 -0.548 -2.238) 5.230 5.530 ( 4.695 0.548 -2.238) 5.230 5.746 ( 5.622 -1.600 -2.758) 6.464 5.746 ( 5.622 1.600 -2.758) 6.464 5.887 ( -2.638 -2.730 2.638) 4.623 5.887 ( -2.638 2.730 2.638) 4.623 6.333 ( 10.313 -5.633 5.736) 13.076 6.333 ( 10.313 5.633 5.736) 13.076 6.465 ( -3.234 -4.331 -0.560) 5.434 6.465 ( -3.234 4.331 -0.560) 5.434 6.595 ( -0.191 -5.849 2.117) 6.224 6.595 ( -0.191 5.849 2.117) 6.224 6.966 ( 3.784 -3.627 -0.361) 5.253 6.966 ( 3.784 3.627 -0.361) 5.253 7.151 ( 2.601 -5.884 -3.778) 7.461 7.151 ( 2.601 5.884 -3.778) 7.461 7.683 ( -1.652 -1.452 -4.755) 5.239 7.683 ( -1.652 1.452 -4.755) 5.239 8.036 ( 4.530 -7.441 1.079) 8.778 8.036 ( 4.530 7.441 1.079) 8.778 8.404 ( 0.346 -10.496 3.105) 10.951 8.404 ( 0.346 10.496 3.105) 10.951 8.693 ( 0.627 -2.674 0.712) 2.837 8.693 ( 0.627 2.674 0.712) 2.837 9.116 ( -2.880 -6.152 -0.698) 6.828 9.116 ( -2.880 6.152 -0.698) 6.828 9.252 ( -5.833 -2.568 -0.896) 6.436 9.252 ( -5.833 2.568 -0.896) 6.436 9.615 ( -4.461 -3.116 -0.635) 5.478 9.615 ( -4.461 3.116 -0.635) 5.478 9.880 ( -1.691 -2.508 -0.717) 3.109 9.880 ( -1.691 2.508 -0.717) 3.109 10.493 ( -2.083 -6.444 2.655) 7.275 10.493 ( -2.083 6.444 2.655) 7.275 10.748 ( -1.365 -8.661 -2.795) 9.203 10.748 ( -1.365 8.661 -2.795) 9.203 20.570 ( 1.563 -1.044 0.274) 1.899 20.570 ( 1.563 1.044 0.274) 1.899 20.863 ( 2.282 -0.374 -0.100) 2.315 20.863 ( 2.282 0.374 -0.100) 2.315 22.841 ( -0.382 -0.701 0.479) 0.931 22.841 ( -0.382 0.701 0.479) 0.931 23.060 ( 0.342 -1.362 -0.771) 1.602 23.060 ( 0.342 1.362 -0.771) 1.602 24.589 ( 0.870 -0.897 0.653) 1.410 24.589 ( 0.870 0.897 0.653) 1.410 24.999 ( -1.729 -0.748 -0.741) 2.025 24.999 ( -1.729 0.748 -0.741) 2.025 25.733 ( 4.290 -0.782 -0.079) 4.361 25.733 ( 4.290 0.782 -0.079) 4.361 26.057 ( 3.389 -0.833 0.421) 3.515 26.057 ( 3.389 0.833 0.421) 3.515 28.322 ( -2.283 -0.373 1.148) 2.582 28.322 ( -2.283 0.373 1.148) 2.582 28.560 ( 1.678 -1.103 -0.180) 2.016 28.560 ( 1.678 1.103 -0.180) 2.016 28.636 ( -0.328 -1.444 -1.074) 1.829 28.636 ( -0.328 1.444 -1.074) 1.829 28.792 ( -0.507 -0.569 -0.454) 0.887 28.792 ( -0.507 0.569 -0.454) 0.887 32.365 ( -0.103 -1.033 0.062) 1.040 32.365 ( -0.103 1.033 0.062) 1.040 32.520 ( 0.275 -1.408 -0.443) 1.501 32.520 ( 0.275 1.408 -0.443) 1.501 35.422 ( -0.951 -0.845 0.234) 1.293 35.422 ( -0.951 0.845 0.234) 1.293 35.568 ( 0.456 -0.597 0.040) 0.752 35.568 ( 0.456 0.597 0.040) 0.752 88.807 ( -2.366 -1.191 2.874) 3.909 88.807 ( -2.366 1.191 2.874) 3.909 89.171 ( -3.615 -2.506 -1.693) 4.713 89.171 ( -3.615 2.506 -1.693) 4.713 97.685 ( -1.408 -0.801 0.613) 1.732 97.685 ( -1.408 0.801 0.613) 1.732 97.735 ( -1.343 -1.156 -0.267) 1.791 97.735 ( -1.343 1.156 -0.267) 1.791 98.722 ( -1.410 -0.276 -0.205) 1.451 98.722 ( -1.410 0.276 -0.205) 1.451 98.936 ( 5.157 -1.463 1.109) 5.474 98.936 ( 5.157 1.463 1.109) 5.474 99.708 ( 0.787 -0.697 1.427) 1.772 99.708 ( 0.787 0.697 1.427) 1.772 99.954 ( -1.923 -4.981 -2.543) 5.914 99.954 ( -1.923 4.981 -2.543) 5.914 ======================= Grid point 104 (55/92) ======================= q-point: (-0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -4.820 -5.578 -1.021) 7.442 1.281 ( -4.820 5.578 -1.021) 7.442 1.577 ( -6.434 -9.203 1.059) 11.278 1.577 ( -6.434 9.203 1.059) 11.278 1.996 ( 0.593 -5.083 -1.137) 5.242 1.996 ( 0.593 5.083 -1.137) 5.242 2.116 ( -0.149 -4.384 -3.085) 5.363 2.116 ( -0.149 4.384 -3.085) 5.363 2.312 ( -1.284 -2.091 4.217) 4.879 2.312 ( -1.284 2.091 4.217) 4.879 2.498 ( -0.220 -6.817 2.426) 7.239 2.498 ( -0.220 6.817 2.426) 7.239 2.589 ( -4.744 -9.581 -1.274) 10.767 2.589 ( -4.744 9.581 -1.274) 10.767 2.649 ( 2.655 -3.055 -0.394) 4.066 2.649 ( 2.655 3.055 -0.394) 4.066 2.951 ( 3.443 -3.970 -1.647) 5.507 2.951 ( 3.443 3.970 -1.647) 5.507 3.260 ( 1.667 -3.706 2.256) 4.648 3.260 ( 1.667 3.706 2.256) 4.648 3.353 ( 2.650 -2.329 -0.479) 3.560 3.353 ( 2.650 2.329 -0.479) 3.560 3.678 ( -3.562 -1.523 0.355) 3.890 3.678 ( -3.562 1.523 0.355) 3.890 4.335 ( -1.521 -3.356 -0.241) 3.692 4.335 ( -1.521 3.356 -0.241) 3.692 4.586 ( 4.224 -3.252 -0.584) 5.363 4.586 ( 4.224 3.252 -0.584) 5.363 4.862 ( 6.329 -5.634 1.180) 8.555 4.862 ( 6.329 5.634 1.180) 8.555 5.141 ( 1.008 -4.720 -1.347) 5.011 5.141 ( 1.008 4.720 -1.347) 5.011 5.251 ( 0.788 -2.162 3.553) 4.233 5.251 ( 0.788 2.162 3.553) 4.233 5.481 ( 3.586 -1.260 -1.140) 3.968 5.481 ( 3.586 1.260 -1.140) 3.968 5.536 ( 0.178 -1.941 -3.224) 3.768 5.536 ( 0.178 1.941 -3.224) 3.768 5.789 ( 0.809 -2.647 0.641) 2.841 5.789 ( 0.809 2.647 0.641) 2.841 5.935 ( 5.476 -2.843 0.026) 6.170 5.935 ( 5.476 2.843 0.026) 6.170 6.356 ( -4.816 -1.648 -1.390) 5.276 6.356 ( -4.816 1.648 -1.390) 5.276 6.483 ( -1.477 -2.341 -0.086) 2.769 6.483 ( -1.477 2.341 -0.086) 2.769 6.719 ( 12.626 -4.786 2.714) 13.772 6.719 ( 12.626 4.786 2.714) 13.772 7.041 ( 3.913 -6.406 3.615) 8.332 7.041 ( 3.913 6.406 3.615) 8.332 7.221 ( 7.529 -4.795 0.097) 8.927 7.221 ( 7.529 4.795 0.097) 8.927 7.612 ( -0.164 -1.507 -5.199) 5.416 7.612 ( -0.164 1.507 -5.199) 5.416 8.116 ( 4.081 -7.535 0.328) 8.575 8.116 ( 4.081 7.535 0.328) 8.575 8.444 ( -1.395 -6.434 5.063) 8.305 8.444 ( -1.395 6.434 5.063) 8.305 8.711 ( 2.351 -3.272 -2.553) 4.770 8.711 ( 2.351 3.272 -2.553) 4.770 9.052 ( -7.125 -7.336 4.216) 11.061 9.052 ( -7.125 7.336 4.216) 11.061 9.149 ( -3.444 -2.172 -2.169) 4.614 9.149 ( -3.444 2.172 -2.169) 4.614 9.512 ( -6.721 -2.046 -0.890) 7.082 9.512 ( -6.721 2.046 -0.890) 7.082 9.828 ( -2.993 -2.056 -0.936) 3.749 9.828 ( -2.993 2.056 -0.936) 3.749 10.480 ( -2.039 -7.044 0.959) 7.396 10.480 ( -2.039 7.044 0.959) 7.396 10.691 ( -1.855 -7.551 -2.201) 8.081 10.691 ( -1.855 7.551 -2.201) 8.081 20.604 ( 2.314 -1.944 -0.056) 3.022 20.604 ( 2.314 1.944 -0.056) 3.022 20.904 ( 2.592 -0.214 -0.079) 2.602 20.904 ( 2.592 0.214 -0.079) 2.602 22.825 ( -0.878 -1.567 -0.861) 1.992 22.825 ( -0.878 1.567 -0.861) 1.992 23.073 ( 0.833 -1.244 0.499) 1.578 23.073 ( 0.833 1.244 0.499) 1.578 24.612 ( 1.040 -0.564 0.573) 1.315 24.612 ( 1.040 0.564 0.573) 1.315 24.964 ( -1.855 -0.677 -0.105) 1.978 24.964 ( -1.855 0.677 -0.105) 1.978 25.811 ( 5.031 -0.761 -0.258) 5.095 25.811 ( 5.031 0.761 -0.258) 5.095 26.126 ( 4.108 -2.083 0.296) 4.615 26.126 ( 4.108 2.083 0.296) 4.615 28.298 ( -1.937 -0.152 1.167) 2.267 28.298 ( -1.937 0.152 1.167) 2.267 28.582 ( 0.195 -1.497 0.782) 1.700 28.582 ( 0.195 1.497 0.782) 1.700 28.619 ( 0.345 -0.401 -1.535) 1.623 28.619 ( 0.345 0.401 -1.535) 1.623 28.775 ( -0.899 -0.747 -0.562) 1.296 28.775 ( -0.899 0.747 -0.562) 1.296 32.364 ( -0.232 -1.291 0.306) 1.347 32.364 ( -0.232 1.291 0.306) 1.347 32.520 ( 0.390 -2.040 -0.485) 2.133 32.520 ( 0.390 2.040 -0.485) 2.133 35.410 ( -0.694 -1.459 0.263) 1.637 35.410 ( -0.694 1.459 0.263) 1.637 35.576 ( 0.423 -0.293 0.001) 0.515 35.576 ( 0.423 0.293 0.001) 0.515 88.793 ( -2.818 -1.354 2.892) 4.259 88.793 ( -2.818 1.354 2.892) 4.259 89.086 ( -4.505 -1.837 -1.181) 5.006 89.086 ( -4.505 1.837 -1.181) 5.006 97.663 ( -1.533 -0.402 0.268) 1.607 97.663 ( -1.533 0.402 0.268) 1.607 97.709 ( -1.644 -0.808 -0.057) 1.833 97.709 ( -1.644 0.808 -0.057) 1.833 98.701 ( -0.868 -0.195 -0.121) 0.898 98.701 ( -0.868 0.195 -0.121) 0.898 99.041 ( 5.921 -3.135 0.576) 6.724 99.041 ( 5.921 3.135 0.576) 6.724 99.717 ( -0.061 -2.017 -0.983) 2.245 99.717 ( -0.061 2.017 -0.983) 2.245 99.903 ( -2.129 -0.479 -0.392) 2.217 99.903 ( -2.129 0.479 -0.392) 2.217 ======================= Grid point 106 (56/92) ======================= q-point: (-0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.506 -8.738 6.593) 10.958 1.264 ( -0.506 8.738 6.593) 10.958 1.518 ( -4.469 -15.049 4.190) 16.248 1.518 ( -4.469 15.049 4.190) 16.248 1.982 ( 0.668 -4.644 -3.130) 5.640 1.982 ( 0.668 4.644 -3.130) 5.640 2.090 ( 0.195 -1.633 -3.562) 3.923 2.090 ( 0.195 1.633 -3.562) 3.923 2.295 ( -7.406 -7.270 3.782) 11.046 2.295 ( -7.406 7.270 3.782) 11.046 2.457 ( -0.976 -5.995 2.929) 6.743 2.457 ( -0.976 5.995 2.929) 6.743 2.576 ( 0.004 -5.974 2.600) 6.515 2.576 ( 0.004 5.974 2.600) 6.515 2.713 ( 3.588 -4.378 -0.256) 5.666 2.713 ( 3.588 4.378 -0.256) 5.666 3.000 ( 3.400 -4.709 0.057) 5.808 3.000 ( 3.400 4.709 0.057) 5.808 3.252 ( -0.666 -1.611 -3.954) 4.321 3.252 ( -0.666 1.611 -3.954) 4.321 3.415 ( 4.531 -4.505 -1.445) 6.551 3.415 ( 4.531 4.505 -1.445) 6.551 3.601 ( -4.561 -1.122 -1.596) 4.961 3.601 ( -4.561 1.122 -1.596) 4.961 4.317 ( -0.678 -3.134 0.600) 3.262 4.317 ( -0.678 3.134 0.600) 3.262 4.639 ( 3.624 -2.203 -2.856) 5.113 4.639 ( 3.624 2.203 -2.856) 5.113 4.948 ( 3.538 -5.771 1.502) 6.934 4.948 ( 3.538 5.771 1.502) 6.934 5.198 ( 3.551 -2.722 2.209) 4.990 5.198 ( 3.551 2.722 2.209) 4.990 5.316 ( 1.919 -1.094 2.952) 3.687 5.316 ( 1.919 1.094 2.952) 3.687 5.447 ( -1.921 -0.994 -5.377) 5.796 5.447 ( -1.921 0.994 -5.377) 5.796 5.515 ( -1.820 -2.162 2.170) 3.563 5.515 ( -1.820 2.162 2.170) 3.563 5.814 ( 2.273 -1.150 -0.489) 2.594 5.814 ( 2.273 1.150 -0.489) 2.594 6.017 ( 2.836 -3.923 1.926) 5.210 6.017 ( 2.836 3.923 1.926) 5.210 6.270 ( -1.908 -2.555 -3.621) 4.825 6.270 ( -1.908 2.555 -3.621) 4.825 6.435 ( -3.446 -0.499 1.029) 3.630 6.435 ( -3.446 0.499 1.029) 3.630 6.893 ( 8.103 -4.393 -2.888) 9.659 6.893 ( 8.103 4.393 -2.888) 9.659 7.139 ( 2.293 -4.531 -0.945) 5.165 7.139 ( 2.293 4.531 -0.945) 5.165 7.357 ( 3.945 -9.368 1.542) 10.281 7.357 ( 3.945 9.368 1.542) 10.281 7.622 ( 6.716 -3.624 2.765) 8.117 7.622 ( 6.716 3.624 2.765) 8.117 8.189 ( 4.654 -9.118 0.841) 10.271 8.189 ( 4.654 9.118 0.841) 10.271 8.432 ( -4.981 -0.917 0.892) 5.143 8.432 ( -4.981 0.917 0.892) 5.143 8.712 ( 0.063 -3.066 0.052) 3.067 8.712 ( 0.063 3.066 0.052) 3.067 8.963 ( -7.916 -5.446 3.983) 10.401 8.963 ( -7.916 5.446 3.983) 10.401 9.129 ( 1.069 -1.264 0.510) 1.732 9.129 ( 1.069 1.264 0.510) 1.732 9.388 ( -6.175 -2.832 -0.825) 6.844 9.388 ( -6.175 2.832 -0.825) 6.844 9.774 ( -1.141 -2.393 -2.420) 3.590 9.774 ( -1.141 2.393 -2.420) 3.590 10.440 ( -2.213 -3.622 -1.318) 4.445 10.440 ( -2.213 3.622 -1.318) 4.445 10.655 ( -0.352 -5.461 -0.810) 5.532 10.655 ( -0.352 5.461 -0.810) 5.532 20.636 ( 1.758 -2.824 -0.855) 3.435 20.636 ( 1.758 2.824 -0.855) 3.435 20.940 ( 1.741 -0.764 -0.089) 1.903 20.940 ( 1.741 0.764 -0.089) 1.903 22.808 ( -0.076 -1.901 -0.464) 1.958 22.808 ( -0.076 1.901 -0.464) 1.958 23.086 ( 0.170 -1.438 0.079) 1.451 23.086 ( 0.170 1.438 0.079) 1.451 24.633 ( 0.592 -0.279 0.507) 0.827 24.633 ( 0.592 0.279 0.507) 0.827 24.941 ( -1.161 -0.542 0.676) 1.449 24.941 ( -1.161 0.542 0.676) 1.449 25.882 ( 3.537 -0.453 -0.334) 3.582 25.882 ( 3.537 0.453 -0.334) 3.582 26.185 ( 2.660 -3.511 -0.435) 4.426 26.185 ( 2.660 3.511 -0.435) 4.426 28.288 ( -1.015 -0.328 1.689) 1.997 28.288 ( -1.015 0.328 1.689) 1.997 28.574 ( -1.724 -0.693 1.168) 2.195 28.574 ( -1.724 0.693 1.168) 2.195 28.627 ( 1.618 -0.171 -0.787) 1.807 28.627 ( 1.618 0.171 -0.787) 1.807 28.753 ( -0.661 -1.582 -1.062) 2.017 28.753 ( -0.661 1.582 -1.062) 2.017 32.365 ( -0.250 -1.344 0.819) 1.594 32.365 ( -0.250 1.344 0.819) 1.594 32.522 ( 0.426 -2.432 -0.583) 2.537 32.522 ( 0.426 2.432 -0.583) 2.537 35.405 ( -0.296 -1.917 0.360) 1.973 35.405 ( -0.296 1.917 0.360) 1.973 35.579 ( 0.184 -0.777 -0.358) 0.875 35.579 ( 0.184 0.777 -0.358) 0.875 88.777 ( -2.860 -1.405 3.010) 4.384 88.777 ( -2.860 1.405 3.010) 4.384 89.008 ( -2.958 -1.970 -1.181) 3.745 89.008 ( -2.958 1.970 -1.181) 3.745 97.645 ( -0.885 -0.374 0.190) 0.980 97.645 ( -0.885 0.374 0.190) 0.980 97.681 ( -1.318 -0.448 -0.249) 1.415 97.681 ( -1.318 0.448 -0.249) 1.415 98.692 ( -0.281 -0.291 0.386) 0.559 98.692 ( -0.281 0.291 0.386) 0.559 99.122 ( 3.763 -5.071 -1.805) 6.568 99.122 ( 3.763 5.071 -1.805) 6.568 99.705 ( 0.536 -1.508 -0.568) 1.698 99.705 ( 0.536 1.508 -0.568) 1.698 99.872 ( -1.856 -3.547 0.531) 4.039 99.872 ( -1.856 3.547 0.531) 4.039 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.132 0.000 21.524) 21.524 0.934 ( -6.727 0.000 20.676) 21.743 1.320 ( -0.802 0.000 -16.701) 16.720 1.362 ( 6.037 0.000 -18.085) 19.066 1.716 ( -3.236 0.000 22.884) 23.111 1.988 ( 1.961 0.000 -3.265) 3.808 2.220 ( -1.062 0.000 6.937) 7.017 2.276 ( 0.769 0.000 5.493) 5.547 2.411 ( 3.416 0.000 10.131) 10.692 2.464 ( -1.922 0.000 -0.024) 1.923 2.563 ( 4.518 0.000 -0.564) 4.553 2.600 ( -6.417 0.000 -0.107) 6.417 2.662 ( 5.595 0.000 1.693) 5.845 2.743 ( -2.815 0.000 -0.600) 2.878 2.764 ( 3.986 0.000 -0.749) 4.056 2.830 ( -3.473 0.000 -0.209) 3.479 2.912 ( 3.956 0.000 -3.480) 5.269 2.918 ( -2.370 0.000 -9.779) 10.063 3.081 ( 0.391 0.000 -2.662) 2.690 3.181 ( -1.648 0.000 -3.212) 3.610 3.183 ( -0.333 0.000 0.691) 0.767 3.261 ( -0.883 0.000 -7.742) 7.793 3.342 ( -1.339 0.000 3.242) 3.508 3.428 ( -0.025 0.000 -4.635) 4.635 4.374 ( -1.437 0.000 1.963) 2.433 4.414 ( 1.530 0.000 -1.687) 2.277 4.837 ( -5.510 0.000 8.264) 9.933 4.864 ( 1.242 0.000 1.156) 1.697 4.873 ( -2.688 0.000 -0.004) 2.688 5.000 ( 3.500 0.000 -4.467) 5.675 5.190 ( 5.088 0.000 0.418) 5.105 5.228 ( -4.155 0.000 -4.774) 6.329 5.304 ( -2.505 0.000 6.649) 7.106 5.432 ( -0.276 0.000 7.677) 7.682 5.442 ( 0.718 0.000 -5.574) 5.620 5.582 ( 1.210 0.000 -5.820) 5.945 5.663 ( 0.462 0.000 8.156) 8.169 5.810 ( -1.358 0.000 -2.237) 2.617 5.887 ( 2.438 0.000 -0.619) 2.516 5.896 ( 1.755 0.000 -3.009) 3.484 5.981 ( -2.675 0.000 4.357) 5.112 6.013 ( -0.328 0.000 1.466) 1.503 6.085 ( 2.396 0.000 -4.961) 5.510 6.108 ( -1.919 0.000 -6.470) 6.748 6.370 ( -4.125 0.000 2.285) 4.716 6.434 ( -0.741 0.000 -0.360) 0.824 6.473 ( 4.603 0.000 0.898) 4.689 6.632 ( 0.956 0.000 -10.364) 10.408 7.088 ( 0.005 0.000 1.713) 1.713 7.124 ( 0.781 0.000 -1.646) 1.822 7.232 ( -4.943 0.000 0.380) 4.958 7.244 ( 4.876 0.000 -0.292) 4.885 7.901 ( 11.290 0.000 7.882) 13.769 8.017 ( -13.247 0.000 -3.657) 13.742 8.201 ( 1.293 0.000 5.738) 5.882 8.278 ( -6.521 0.000 0.640) 6.552 8.606 ( 11.497 0.000 2.358) 11.736 8.667 ( -3.380 0.000 -2.979) 4.505 8.716 ( 0.471 0.000 1.962) 2.018 8.741 ( -5.698 0.000 0.661) 5.736 8.876 ( -1.389 0.000 3.861) 4.103 8.955 ( 0.015 0.000 -1.533) 1.533 9.077 ( -1.929 0.000 7.710) 7.947 9.213 ( -4.414 0.000 2.923) 5.294 9.292 ( 9.734 0.000 -9.737) 13.768 9.366 ( 5.575 0.000 -10.761) 12.120 9.600 ( -7.719 0.000 8.964) 11.829 9.787 ( 7.123 0.000 -8.065) 10.760 10.297 ( -10.099 0.000 1.362) 10.191 10.315 ( 8.186 0.000 -0.547) 8.204 10.825 ( -10.285 0.000 4.760) 11.333 10.913 ( 6.698 0.000 -3.158) 7.406 20.519 ( -0.145 0.000 0.038) 0.150 20.524 ( 0.313 0.000 -0.432) 0.533 20.873 ( -0.843 0.000 0.698) 1.095 20.886 ( 0.755 0.000 -0.465) 0.887 22.770 ( 2.489 0.000 1.715) 3.023 22.809 ( -2.543 0.000 -1.759) 3.092 23.062 ( 3.071 0.000 1.012) 3.233 23.087 ( -2.855 0.000 -1.285) 3.131 24.751 ( 2.057 0.000 1.034) 2.302 24.776 ( -2.297 0.000 -1.276) 2.628 24.903 ( -1.051 0.000 1.093) 1.516 24.921 ( 1.364 0.000 -0.547) 1.470 25.882 ( 0.383 0.000 0.107) 0.397 25.885 ( -0.297 0.000 -0.150) 0.333 26.152 ( 1.580 0.000 3.381) 3.733 26.227 ( -3.907 0.000 -3.323) 5.129 28.357 ( -0.914 0.000 3.304) 3.428 28.428 ( -0.454 0.000 -2.924) 2.959 28.545 ( -2.110 0.000 1.508) 2.593 28.584 ( 2.178 0.000 -1.926) 2.908 28.691 ( 0.351 0.000 2.338) 2.364 28.710 ( -3.311 0.000 0.310) 3.325 28.743 ( 3.608 0.000 0.736) 3.682 28.787 ( 2.334 0.000 -2.943) 3.756 32.323 ( -1.348 0.000 1.632) 2.117 32.360 ( 1.428 0.000 -1.711) 2.228 32.577 ( 0.358 0.000 0.752) 0.832 32.594 ( 0.087 0.000 -0.786) 0.791 35.395 ( -0.249 0.000 3.006) 3.017 35.464 ( 0.150 0.000 -3.109) 3.113 35.486 ( -0.659 0.000 2.566) 2.649 35.541 ( 0.018 0.000 -2.376) 2.376 88.800 ( -3.202 0.000 1.514) 3.542 88.842 ( 2.336 0.000 -2.316) 3.290 89.089 ( -20.103 0.000 1.289) 20.145 89.110 ( 11.091 0.000 -0.583) 11.107 97.616 ( -1.264 0.000 -0.071) 1.266 97.620 ( 0.818 0.000 -0.435) 0.927 97.686 ( -2.725 0.000 0.660) 2.804 97.697 ( 1.725 0.000 -0.283) 1.748 98.714 ( -0.482 0.000 1.453) 1.531 98.733 ( 0.431 0.000 -0.295) 0.522 98.793 ( 1.173 0.000 0.508) 1.279 98.819 ( -0.884 0.000 -1.767) 1.976 99.624 ( -0.385 0.000 1.832) 1.872 99.667 ( 0.844 0.000 -2.039) 2.207 100.028 ( -10.156 0.000 1.066) 10.212 100.047 ( 15.394 0.000 -0.656) 15.408 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 1.321 0.000 8.665) 8.765 1.117 ( 4.446 0.000 11.799) 12.608 1.201 ( 9.249 0.000 -9.738) 13.430 1.337 ( 10.519 0.000 -10.818) 15.089 1.879 ( -1.273 0.000 10.301) 10.380 1.973 ( 3.791 0.000 -6.396) 7.436 2.274 ( -0.656 0.000 2.772) 2.848 2.341 ( 1.676 0.000 1.811) 2.468 2.435 ( -1.117 0.000 0.729) 1.334 2.464 ( -5.627 0.000 -3.831) 6.808 2.510 ( 5.294 0.000 -3.964) 6.613 2.599 ( -3.073 0.000 -5.459) 6.264 2.661 ( -5.685 0.000 -1.279) 5.827 2.706 ( 1.214 0.000 -1.071) 1.619 2.758 ( -1.103 0.000 2.830) 3.038 2.799 ( -3.636 0.000 -0.505) 3.671 2.862 ( 4.694 0.000 4.449) 6.467 2.931 ( 1.851 0.000 -1.406) 2.324 3.089 ( -0.868 0.000 -5.598) 5.665 3.165 ( 2.502 0.000 6.009) 6.509 3.190 ( -1.184 0.000 3.843) 4.022 3.208 ( 0.407 0.000 -2.680) 2.711 3.356 ( -2.439 0.000 5.885) 6.371 3.396 ( 0.845 0.000 -3.552) 3.651 4.393 ( 1.236 0.000 1.441) 1.898 4.438 ( 3.347 0.000 -1.292) 3.587 4.800 ( -5.158 0.000 -0.714) 5.207 4.815 ( -6.518 0.000 8.067) 10.372 4.893 ( -0.659 0.000 0.890) 1.107 4.991 ( -0.727 0.000 -1.303) 1.492 5.133 ( 0.484 0.000 -5.077) 5.100 5.220 ( -7.728 0.000 3.696) 8.566 5.296 ( -1.541 0.000 5.043) 5.274 5.315 ( -6.124 0.000 -5.573) 8.280 5.522 ( 0.824 0.000 7.275) 7.321 5.554 ( 1.305 0.000 -7.005) 7.125 5.737 ( -1.380 0.000 -6.090) 6.244 5.758 ( -1.915 0.000 6.768) 7.033 5.857 ( -1.627 0.000 -1.224) 2.036 5.875 ( 0.609 0.000 -3.787) 3.836 6.028 ( 0.458 0.000 1.753) 1.812 6.032 ( -0.341 0.000 -1.039) 1.093 6.090 ( 4.708 0.000 -1.892) 5.073 6.097 ( 3.492 0.000 4.302) 5.541 6.293 ( -6.655 0.000 4.578) 8.077 6.367 ( -6.884 0.000 -1.430) 7.031 6.531 ( -1.715 0.000 -7.619) 7.810 6.567 ( 3.360 0.000 2.915) 4.448 7.069 ( -5.896 0.000 0.049) 5.896 7.117 ( 1.419 0.000 -1.675) 2.195 7.173 ( -0.781 0.000 1.950) 2.101 7.280 ( -0.488 0.000 -1.815) 1.880 7.731 ( -14.875 0.000 -2.279) 15.048 8.148 ( 8.596 0.000 6.924) 11.038 8.183 ( -4.869 0.000 -0.617) 4.908 8.230 ( -7.373 0.000 6.328) 9.717 8.443 ( -9.177 0.000 -8.621) 12.591 8.612 ( -3.239 0.000 1.335) 3.504 8.785 ( 2.774 0.000 1.671) 3.239 8.871 ( -20.602 0.000 10.264) 23.017 8.923 ( 7.107 0.000 -0.382) 7.117 8.944 ( 4.553 0.000 3.348) 5.651 9.001 ( 5.744 0.000 -5.382) 7.872 9.257 ( 6.072 0.000 -14.749) 15.950 9.290 ( 6.826 0.000 4.646) 8.257 9.318 ( -1.486 0.000 -6.613) 6.778 9.633 ( 0.271 0.000 8.928) 8.932 9.814 ( 5.042 0.000 -6.366) 8.121 10.269 ( 5.199 0.000 0.309) 5.209 10.481 ( 9.237 0.000 0.357) 9.244 10.754 ( -6.220 0.000 6.131) 8.734 11.034 ( 10.712 0.000 -1.416) 10.805 20.513 ( -0.666 0.000 0.041) 0.667 20.520 ( -0.197 0.000 -0.278) 0.341 20.857 ( -1.869 0.000 0.670) 1.986 20.884 ( -0.300 0.000 -0.530) 0.609 22.750 ( -2.081 0.000 -1.601) 2.625 22.832 ( 2.509 0.000 1.744) 3.055 23.030 ( -2.185 0.000 -1.271) 2.528 23.131 ( 3.764 0.000 0.907) 3.872 24.721 ( -2.856 0.000 -0.651) 2.929 24.797 ( 1.912 0.000 1.058) 2.185 24.887 ( -1.778 0.000 0.762) 1.935 24.931 ( 0.894 0.000 -1.089) 1.409 25.847 ( -4.096 0.000 -0.300) 4.107 25.862 ( -2.800 0.000 0.263) 2.813 26.131 ( -4.005 0.000 -1.406) 4.245 26.196 ( -1.754 0.000 4.024) 4.390 28.362 ( -2.258 0.000 2.394) 3.291 28.377 ( -2.198 0.000 -0.913) 2.381 28.531 ( -1.587 0.000 0.938) 1.844 28.601 ( 1.922 0.000 -0.498) 1.986 28.674 ( -0.860 0.000 -1.141) 1.429 28.700 ( -2.433 0.000 3.166) 3.993 28.784 ( 1.253 0.000 -3.191) 3.429 28.817 ( 5.930 0.000 -2.779) 6.549 32.322 ( -0.813 0.000 1.591) 1.787 32.369 ( 1.855 0.000 -1.686) 2.506 32.571 ( -1.752 0.000 0.853) 1.949 32.573 ( -1.347 0.000 -1.371) 1.922 35.428 ( 0.132 0.000 3.113) 3.116 35.434 ( 0.239 0.000 -2.862) 2.872 35.504 ( -0.757 0.000 2.669) 2.774 35.524 ( 0.829 0.000 -2.002) 2.167 88.785 ( -1.070 0.000 3.186) 3.361 88.880 ( 4.391 0.000 -1.615) 4.679 88.905 ( -8.016 0.000 4.740) 9.313 89.345 ( 13.092 0.000 5.343) 14.140 97.614 ( 0.886 0.000 0.163) 0.901 97.640 ( 1.482 0.000 -0.003) 1.482 97.678 ( 0.052 0.000 0.623) 0.625 97.755 ( 5.083 0.000 1.189) 5.220 98.719 ( -0.319 0.000 0.832) 0.891 98.735 ( 0.300 0.000 -0.544) 0.621 98.776 ( -1.876 0.000 -1.804) 2.603 98.808 ( -0.371 0.000 1.152) 1.211 99.635 ( -0.498 0.000 1.586) 1.662 99.656 ( 0.637 0.000 -2.285) 2.372 99.847 ( -10.002 0.000 -2.070) 10.214 100.234 ( 10.336 0.000 -4.156) 11.140 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 13.250 0.000 -12.264) 18.055 1.195 ( 9.268 0.000 -13.716) 16.553 1.444 ( 11.780 0.000 10.600) 15.847 1.499 ( 6.057 0.000 9.538) 11.299 1.886 ( -3.960 0.000 0.851) 4.050 1.996 ( 3.605 0.000 -2.747) 4.532 2.229 ( -2.578 0.000 -3.915) 4.688 2.333 ( -1.799 0.000 -16.706) 16.802 2.358 ( -2.327 0.000 -2.114) 3.144 2.363 ( 4.815 0.000 -6.653) 8.212 2.481 ( -4.077 0.000 -0.715) 4.139 2.538 ( 4.091 0.000 -6.062) 7.313 2.592 ( -3.933 0.000 5.292) 6.594 2.714 ( -4.056 0.000 0.135) 4.058 2.760 ( -2.474 0.000 1.443) 2.864 2.782 ( 1.917 0.000 0.144) 1.922 2.899 ( 1.203 0.000 -7.515) 7.610 2.995 ( 2.916 0.000 8.792) 9.263 3.112 ( 0.081 0.000 7.878) 7.879 3.166 ( -2.570 0.000 0.928) 2.732 3.213 ( 1.689 0.000 -0.159) 1.696 3.261 ( -1.848 0.000 5.855) 6.140 3.389 ( 3.156 0.000 -2.262) 3.883 3.405 ( -2.674 0.000 11.556) 11.861 4.435 ( 2.602 0.000 0.072) 2.603 4.495 ( 3.818 0.000 0.553) 3.858 4.709 ( -4.669 0.000 -0.344) 4.682 4.772 ( -7.430 0.000 4.288) 8.579 4.873 ( -1.917 0.000 1.284) 2.307 4.971 ( -0.914 0.000 1.627) 1.866 5.107 ( -9.909 0.000 5.077) 11.134 5.142 ( 4.214 0.000 -2.880) 5.104 5.176 ( -3.779 0.000 -2.908) 4.769 5.291 ( -4.906 0.000 3.166) 5.839 5.485 ( 0.722 0.000 -6.982) 7.019 5.613 ( -0.496 0.000 7.592) 7.608 5.630 ( -4.050 0.000 -6.076) 7.302 5.723 ( -4.878 0.000 2.822) 5.635 5.799 ( -4.114 0.000 -2.275) 4.701 5.853 ( -0.859 0.000 -1.450) 1.685 5.995 ( -3.258 0.000 0.084) 3.259 6.018 ( -4.464 0.000 -2.133) 4.947 6.156 ( 4.248 0.000 -0.627) 4.294 6.191 ( -2.073 0.000 -5.428) 5.810 6.224 ( -1.282 0.000 6.224) 6.355 6.337 ( 3.899 0.000 8.838) 9.660 6.431 ( -3.255 0.000 -2.060) 3.852 6.626 ( -0.577 0.000 3.696) 3.741 6.959 ( -6.551 0.000 1.328) 6.684 7.156 ( 3.709 0.000 1.104) 3.870 7.180 ( -7.912 0.000 -2.079) 8.181 7.203 ( 1.657 0.000 0.238) 1.674 7.529 ( -7.626 0.000 -0.649) 7.654 8.032 ( -15.207 0.000 -5.210) 16.074 8.105 ( -3.252 0.000 -1.547) 3.601 8.240 ( -1.118 0.000 -7.775) 7.855 8.367 ( 3.045 0.000 9.611) 10.082 8.472 ( -22.965 0.000 3.694) 23.260 8.642 ( -3.242 0.000 1.692) 3.657 8.787 ( -4.595 0.000 -4.662) 6.546 8.983 ( 1.623 0.000 -3.764) 4.099 8.993 ( 2.804 0.000 1.183) 3.043 9.106 ( 6.542 0.000 -2.081) 6.865 9.219 ( 1.790 0.000 -2.839) 3.356 9.346 ( 13.959 0.000 -4.667) 14.718 9.482 ( 10.053 0.000 3.003) 10.491 9.767 ( 3.635 0.000 8.224) 8.991 9.843 ( 5.987 0.000 -5.426) 8.080 10.388 ( 7.277 0.000 -0.443) 7.291 10.582 ( 3.886 0.000 -1.719) 4.249 10.735 ( -4.737 0.000 7.636) 8.985 11.198 ( 8.789 0.000 -1.220) 8.873 20.500 ( -0.793 0.000 0.026) 0.793 20.514 ( -0.253 0.000 -0.083) 0.266 20.829 ( -2.237 0.000 0.789) 2.372 20.867 ( -0.914 0.000 -0.706) 1.155 22.714 ( -0.918 0.000 -0.282) 0.960 22.880 ( 1.433 0.000 0.679) 1.586 22.996 ( -0.841 0.000 -0.123) 0.850 23.195 ( 3.241 0.000 -0.323) 3.257 24.675 ( -2.483 0.000 0.583) 2.550 24.826 ( 0.939 0.000 -0.783) 1.223 24.867 ( -1.604 0.000 0.985) 1.882 24.930 ( 1.021 0.000 -1.598) 1.896 25.753 ( -6.179 0.000 -0.280) 6.185 25.801 ( -4.781 0.000 0.410) 4.799 26.068 ( -2.485 0.000 -0.634) 2.565 26.167 ( -5.378 0.000 2.090) 5.770 28.345 ( -0.987 0.000 -0.003) 0.987 28.349 ( -0.545 0.000 0.602) 0.813 28.512 ( -1.641 0.000 0.739) 1.800 28.631 ( -0.041 0.000 -0.009) 0.042 28.654 ( 1.003 0.000 -0.610) 1.174 28.683 ( -3.031 0.000 2.399) 3.865 28.765 ( 0.547 0.000 -2.900) 2.951 28.874 ( 4.453 0.000 -2.788) 5.254 32.331 ( -0.044 0.000 1.559) 1.560 32.386 ( 2.311 0.000 -1.582) 2.800 32.525 ( -1.699 0.000 -2.382) 2.925 32.543 ( -2.780 0.000 1.075) 2.981 35.415 ( 0.808 0.000 -2.181) 2.326 35.463 ( 0.158 0.000 2.799) 2.804 35.511 ( -1.428 0.000 1.993) 2.451 35.525 ( 1.659 0.000 -1.866) 2.497 88.835 ( 1.795 0.000 4.482) 4.828 88.869 ( -3.021 0.000 4.518) 5.435 88.941 ( 5.012 0.000 -2.162) 5.458 89.581 ( 4.581 0.000 7.381) 8.687 97.641 ( 1.808 0.000 0.168) 1.816 97.663 ( 1.411 0.000 -0.219) 1.428 97.693 ( 0.948 0.000 0.850) 1.273 97.880 ( 5.199 0.000 4.280) 6.734 98.720 ( -1.339 0.000 -0.516) 1.435 98.720 ( -0.761 0.000 -0.128) 0.772 98.735 ( 0.353 0.000 -1.849) 1.882 98.805 ( -1.507 0.000 1.313) 1.999 99.635 ( -0.383 0.000 -2.876) 2.901 99.640 ( -0.693 0.000 1.060) 1.266 99.713 ( -2.739 0.000 0.163) 2.744 100.315 ( 6.068 0.000 -5.641) 8.285 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 13.444 0.000 -15.230) 20.315 1.288 ( 17.161 0.000 -7.409) 18.693 1.642 ( -1.306 0.000 7.698) 7.808 1.677 ( 1.305 0.000 -0.246) 1.328 1.833 ( 3.913 0.000 -0.550) 3.952 1.982 ( -3.183 0.000 0.158) 3.187 2.103 ( -2.031 0.000 -8.160) 8.409 2.211 ( 0.526 0.000 -3.399) 3.439 2.344 ( -1.138 0.000 4.515) 4.656 2.386 ( -3.311 0.000 -4.052) 5.233 2.401 ( 6.492 0.000 -6.008) 8.845 2.494 ( -0.212 0.000 -9.757) 9.759 2.608 ( -2.006 0.000 4.930) 5.322 2.640 ( -2.721 0.000 -3.157) 4.168 2.710 ( -1.923 0.000 -3.245) 3.771 2.766 ( -0.538 0.000 -3.277) 3.321 2.879 ( 7.176 0.000 -5.856) 9.262 3.125 ( -4.025 0.000 2.257) 4.614 3.158 ( 1.950 0.000 10.442) 10.622 3.167 ( -0.892 0.000 3.744) 3.848 3.230 ( -0.297 0.000 1.822) 1.846 3.238 ( -6.404 0.000 3.584) 7.338 3.471 ( 6.645 0.000 0.403) 6.657 3.483 ( -3.637 0.000 11.646) 12.201 4.483 ( 4.245 0.000 -1.103) 4.386 4.556 ( -1.128 0.000 4.763) 4.895 4.640 ( -3.890 0.000 0.602) 3.936 4.685 ( -3.049 0.000 -1.550) 3.421 4.872 ( -0.984 0.000 2.844) 3.010 4.992 ( 0.720 0.000 1.148) 1.354 5.012 ( -6.931 0.000 3.663) 7.840 5.075 ( -3.679 0.000 -1.890) 4.136 5.226 ( -6.543 0.000 4.142) 7.744 5.242 ( 5.235 0.000 3.287) 6.182 5.425 ( -1.976 0.000 -7.237) 7.502 5.535 ( 3.404 0.000 -2.410) 4.171 5.599 ( -5.866 0.000 1.031) 5.956 5.703 ( -4.344 0.000 -0.431) 4.365 5.705 ( -2.680 0.000 2.923) 3.966 5.838 ( -9.951 0.000 4.658) 10.987 5.868 ( -6.964 0.000 -5.391) 8.807 5.880 ( 0.428 0.000 -2.266) 2.306 6.155 ( 4.245 0.000 -2.032) 4.706 6.200 ( 3.517 0.000 -4.101) 5.403 6.301 ( -0.186 0.000 5.514) 5.517 6.394 ( -2.339 0.000 4.162) 4.774 6.533 ( 7.643 0.000 6.645) 10.128 6.643 ( -2.756 0.000 5.861) 6.476 6.892 ( -5.771 0.000 4.796) 7.504 7.030 ( -6.409 0.000 -1.522) 6.587 7.216 ( 1.489 0.000 -3.010) 3.359 7.247 ( 3.710 0.000 2.499) 4.473 7.434 ( -3.816 0.000 -0.604) 3.864 7.716 ( -9.700 0.000 -12.462) 15.792 8.035 ( -7.390 0.000 2.655) 7.853 8.122 ( -4.450 0.000 -4.675) 6.454 8.125 ( -15.508 0.000 -2.469) 15.703 8.530 ( 3.253 0.000 8.653) 9.245 8.556 ( -5.874 0.000 -14.385) 15.538 8.662 ( 0.531 0.000 3.953) 3.988 9.006 ( 2.681 0.000 -1.787) 3.222 9.061 ( 4.022 0.000 -0.036) 4.022 9.158 ( 1.607 0.000 -0.035) 1.607 9.243 ( 2.508 0.000 0.074) 2.509 9.574 ( 14.615 0.000 -1.067) 14.654 9.650 ( 6.808 0.000 1.654) 7.006 9.889 ( 6.358 0.000 -5.571) 8.454 9.892 ( 1.297 0.000 6.223) 6.357 10.468 ( 2.756 0.000 -0.352) 2.778 10.593 ( 1.412 0.000 -3.522) 3.794 10.764 ( -3.388 0.000 10.446) 10.982 11.260 ( 3.155 0.000 -5.862) 6.657 20.492 ( -0.357 0.000 0.314) 0.476 20.511 ( -0.137 0.000 -0.040) 0.142 20.804 ( -1.872 0.000 0.978) 2.112 20.843 ( -0.859 0.000 -0.887) 1.235 22.713 ( 0.119 0.000 1.303) 1.308 22.890 ( -0.097 0.000 -0.992) 0.997 23.003 ( 0.757 0.000 1.672) 1.835 23.223 ( 1.587 0.000 -2.149) 2.671 24.653 ( -1.785 0.000 1.883) 2.595 24.808 ( 0.060 0.000 -3.563) 3.564 24.859 ( -0.970 0.000 1.549) 1.828 24.936 ( 1.367 0.000 -1.395) 1.953 25.657 ( -4.836 0.000 0.110) 4.838 25.719 ( -5.191 0.000 0.084) 5.192 26.030 ( -1.538 0.000 -0.313) 1.569 26.088 ( -4.638 0.000 -0.047) 4.639 28.341 ( -0.145 0.000 0.682) 0.697 28.360 ( 1.253 0.000 -0.118) 1.258 28.497 ( -1.115 0.000 0.805) 1.375 28.595 ( -1.611 0.000 -1.883) 2.478 28.655 ( -2.796 0.000 1.659) 3.251 28.679 ( 1.161 0.000 -0.964) 1.509 28.759 ( 0.774 0.000 0.837) 1.140 28.905 ( 2.782 0.000 -2.565) 3.783 32.352 ( 0.656 0.000 1.423) 1.567 32.411 ( 2.528 0.000 -1.423) 2.901 32.476 ( -0.778 0.000 -2.515) 2.633 32.504 ( -3.377 0.000 1.160) 3.571 35.416 ( 1.469 0.000 -1.359) 2.001 35.482 ( -1.195 0.000 1.433) 1.866 35.507 ( -0.924 0.000 1.854) 2.071 35.536 ( 1.900 0.000 -1.692) 2.544 88.875 ( -0.977 0.000 3.491) 3.625 88.940 ( 2.491 0.000 7.319) 7.731 88.991 ( 4.280 0.000 -3.290) 5.398 89.613 ( -4.815 0.000 -0.026) 4.815 97.668 ( 1.152 0.000 -0.023) 1.153 97.681 ( 1.147 0.000 -0.464) 1.237 97.733 ( 2.119 0.000 1.980) 2.899 97.966 ( -0.100 0.000 2.591) 2.592 98.693 ( -0.201 0.000 -0.440) 0.484 98.717 ( -0.185 0.000 -0.182) 0.260 98.725 ( 0.569 0.000 -1.406) 1.517 98.787 ( -2.140 0.000 0.944) 2.339 99.604 ( 0.053 0.000 -1.382) 1.383 99.634 ( -0.919 0.000 0.419) 1.010 99.760 ( 2.678 0.000 6.749) 7.260 100.324 ( 3.458 0.000 -7.338) 8.112 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 13.070 0.000 -11.472) 17.390 1.493 ( -10.123 0.000 -9.300) 13.747 1.507 ( 15.214 0.000 -3.670) 15.650 1.611 ( -9.182 0.000 4.286) 10.134 1.937 ( -2.795 0.000 1.695) 3.268 1.947 ( 6.855 0.000 -3.263) 7.592 2.085 ( 4.026 0.000 -0.050) 4.026 2.245 ( 2.409 0.000 2.323) 3.347 2.305 ( -7.933 0.000 -6.951) 10.548 2.313 ( -0.410 0.000 -0.841) 0.935 2.386 ( 0.750 0.000 -6.607) 6.649 2.416 ( 0.475 0.000 2.197) 2.247 2.548 ( -4.974 0.000 0.467) 4.996 2.619 ( -1.637 0.000 2.874) 3.307 2.697 ( 3.500 0.000 -3.202) 4.744 2.712 ( -1.335 0.000 -3.909) 4.131 3.001 ( 13.628 0.000 -5.275) 14.613 3.082 ( -8.118 0.000 6.048) 10.123 3.115 ( -8.806 0.000 1.784) 8.985 3.169 ( -0.452 0.000 -0.447) 0.636 3.264 ( 1.314 0.000 2.721) 3.022 3.268 ( 0.252 0.000 5.143) 5.150 3.524 ( -3.887 0.000 8.074) 8.962 3.579 ( 6.604 0.000 -1.304) 6.731 4.541 ( -6.704 0.000 6.336) 9.224 4.558 ( 5.504 0.000 -1.136) 5.620 4.598 ( -1.865 0.000 1.637) 2.482 4.654 ( 0.567 0.000 -2.391) 2.458 4.896 ( -1.874 0.000 5.452) 5.765 4.971 ( 0.651 0.000 -0.913) 1.121 4.996 ( -1.707 0.000 -1.185) 2.078 5.003 ( -1.375 0.000 -0.957) 1.675 5.187 ( -4.379 0.000 5.978) 7.410 5.338 ( 2.774 0.000 -4.898) 5.629 5.383 ( 4.563 0.000 3.841) 5.964 5.499 ( -5.330 0.000 -0.318) 5.340 5.588 ( 2.039 0.000 -3.115) 3.723 5.644 ( -5.034 0.000 -2.854) 5.786 5.649 ( -4.245 0.000 0.527) 4.277 5.707 ( -5.151 0.000 2.313) 5.646 5.798 ( 7.000 0.000 1.109) 7.088 5.930 ( -1.712 0.000 4.203) 4.539 6.183 ( 0.814 0.000 -4.898) 4.965 6.212 ( 3.379 0.000 -3.169) 4.633 6.345 ( 0.259 0.000 5.091) 5.097 6.415 ( -1.806 0.000 4.476) 4.827 6.667 ( -3.394 0.000 8.039) 8.726 6.700 ( 6.261 0.000 2.258) 6.656 6.863 ( -4.804 0.000 6.873) 8.385 6.953 ( 0.337 0.000 -3.543) 3.559 7.204 ( 2.580 0.000 -3.781) 4.577 7.289 ( -1.487 0.000 0.705) 1.645 7.375 ( -1.729 0.000 -2.578) 3.104 7.484 ( -3.130 0.000 -10.927) 11.366 7.855 ( -13.045 0.000 8.256) 15.439 8.008 ( -2.929 0.000 -4.196) 5.117 8.034 ( 0.628 0.000 -1.141) 1.302 8.330 ( -0.126 0.000 -16.151) 16.151 8.680 ( 2.435 0.000 8.469) 8.812 8.726 ( 0.973 0.000 4.881) 4.977 9.006 ( 0.050 0.000 -2.423) 2.423 9.083 ( 2.421 0.000 -7.080) 7.482 9.191 ( -0.972 0.000 6.099) 6.176 9.288 ( 2.941 0.000 -1.050) 3.123 9.740 ( 2.215 0.000 1.302) 2.569 9.755 ( 6.987 0.000 -0.507) 7.006 9.919 ( -4.887 0.000 3.942) 6.279 9.942 ( 7.792 0.000 -5.734) 9.674 10.483 ( -1.203 0.000 1.603) 2.004 10.571 ( 0.915 0.000 -3.905) 4.011 10.838 ( -2.523 0.000 12.377) 12.631 11.201 ( 0.755 0.000 -9.908) 9.936 20.494 ( 0.035 0.000 0.535) 0.536 20.508 ( -0.006 0.000 -0.189) 0.190 20.791 ( -0.933 0.000 1.146) 1.478 20.823 ( -0.207 0.000 -1.042) 1.062 22.744 ( 1.067 0.000 2.544) 2.759 22.858 ( -1.342 0.000 -2.388) 2.739 23.052 ( 1.645 0.000 3.256) 3.648 23.200 ( -0.511 0.000 -3.726) 3.761 24.654 ( -1.202 0.000 2.946) 3.182 24.766 ( 0.232 0.000 -4.296) 4.302 24.868 ( -0.407 0.000 2.204) 2.242 24.936 ( 0.618 0.000 -1.921) 2.018 25.609 ( -1.193 0.000 0.596) 1.334 25.646 ( -2.941 0.000 -0.424) 2.971 26.012 ( -0.358 0.000 -0.054) 0.362 26.030 ( -1.957 0.000 -0.377) 1.993 28.349 ( -0.323 0.000 1.220) 1.262 28.376 ( 0.768 0.000 -0.582) 0.964 28.497 ( -0.106 0.000 1.207) 1.212 28.549 ( -1.542 0.000 -1.566) 2.197 28.630 ( -2.011 0.000 1.283) 2.386 28.675 ( 1.519 0.000 -2.944) 3.313 28.801 ( 0.700 0.000 3.564) 3.633 28.911 ( 1.491 0.000 -3.031) 3.378 32.380 ( 0.877 0.000 1.159) 1.454 32.429 ( 0.514 0.000 -1.447) 1.536 32.457 ( 2.007 0.000 -1.857) 2.734 32.458 ( -3.537 0.000 1.295) 3.766 35.434 ( 1.849 0.000 -0.574) 1.936 35.459 ( -2.170 0.000 0.328) 2.195 35.515 ( -0.947 0.000 1.943) 2.161 35.549 ( 1.629 0.000 -1.565) 2.259 88.898 ( -1.155 0.000 3.995) 4.158 89.008 ( 2.531 0.000 -4.155) 4.865 89.075 ( 3.004 0.000 9.716) 10.170 89.470 ( -6.623 0.000 -6.713) 9.430 97.679 ( 0.255 0.000 0.110) 0.277 97.690 ( 0.528 0.000 -0.545) 0.759 97.802 ( 2.764 0.000 3.080) 4.138 97.940 ( -3.135 0.000 -1.011) 3.293 98.696 ( 0.271 0.000 0.316) 0.416 98.711 ( -0.185 0.000 -0.375) 0.418 98.731 ( 1.636 0.000 -0.674) 1.770 98.757 ( -2.173 0.000 0.358) 2.202 99.603 ( 0.809 0.000 -0.419) 0.911 99.619 ( -1.043 0.000 -0.075) 1.046 99.904 ( 2.256 0.000 10.985) 11.214 100.277 ( 1.808 0.000 -9.710) 9.877 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -13.663 0.000 -4.465) 14.375 1.391 ( -0.217 0.000 -0.244) 0.326 1.470 ( -4.309 0.000 -1.192) 4.471 1.695 ( 11.164 0.000 -3.191) 11.611 1.921 ( -1.059 0.000 -0.066) 1.061 2.002 ( 5.221 0.000 -4.342) 6.791 2.107 ( -7.379 0.000 -3.366) 8.111 2.197 ( 6.576 0.000 2.538) 7.049 2.233 ( -5.809 0.000 6.061) 8.395 2.316 ( -0.825 0.000 -4.428) 4.504 2.355 ( -4.741 0.000 -3.804) 6.078 2.406 ( 5.828 0.000 1.996) 6.161 2.578 ( 1.042 0.000 6.963) 7.040 2.608 ( -3.194 0.000 -1.076) 3.370 2.636 ( -3.754 0.000 0.809) 3.840 2.718 ( 3.584 0.000 -4.244) 5.555 2.907 ( -12.237 0.000 2.162) 12.426 3.097 ( -1.427 0.000 5.130) 5.325 3.145 ( 2.160 0.000 -1.156) 2.450 3.189 ( 9.783 0.000 -2.812) 10.179 3.294 ( -0.841 0.000 1.313) 1.559 3.314 ( 1.966 0.000 0.490) 2.026 3.531 ( -2.756 0.000 3.619) 4.549 3.658 ( 6.156 0.000 -4.075) 7.382 4.487 ( -6.871 0.000 5.074) 8.541 4.583 ( -0.956 0.000 2.570) 2.742 4.644 ( 1.752 0.000 -2.334) 2.918 4.648 ( 4.234 0.000 -1.628) 4.536 4.912 ( -5.309 0.000 0.097) 5.310 4.933 ( -0.343 0.000 5.796) 5.806 4.994 ( 2.609 0.000 -1.114) 2.837 5.040 ( 7.585 0.000 -3.468) 8.340 5.189 ( -4.060 0.000 6.527) 7.687 5.345 ( 5.346 0.000 -7.658) 9.340 5.445 ( -1.522 0.000 0.222) 1.538 5.507 ( 6.289 0.000 1.319) 6.426 5.557 ( -0.025 0.000 1.343) 1.343 5.574 ( -0.209 0.000 -2.573) 2.582 5.663 ( -0.821 0.000 0.195) 0.844 5.680 ( 3.436 0.000 4.363) 5.553 5.846 ( -8.389 0.000 -2.257) 8.687 5.978 ( 7.888 0.000 2.141) 8.173 6.162 ( -0.699 0.000 0.278) 0.752 6.167 ( -2.765 0.000 -4.156) 4.992 6.407 ( -1.849 0.000 0.034) 1.850 6.429 ( 3.007 0.000 3.111) 4.327 6.693 ( -2.908 0.000 5.422) 6.153 6.795 ( 4.195 0.000 -0.039) 4.195 6.886 ( 1.764 0.000 1.581) 2.369 6.961 ( 6.858 0.000 -5.557) 8.827 7.217 ( -4.117 0.000 -4.022) 5.756 7.252 ( 3.337 0.000 3.343) 4.723 7.350 ( 1.347 0.000 1.389) 1.935 7.369 ( -0.513 0.000 -5.619) 5.642 7.855 ( -1.561 0.000 13.281) 13.373 7.961 ( 1.964 0.000 -2.472) 3.158 8.066 ( 1.616 0.000 3.600) 3.946 8.209 ( 5.372 0.000 -14.918) 15.856 8.772 ( 0.473 0.000 3.257) 3.291 8.776 ( -0.061 0.000 1.706) 1.707 8.970 ( -2.586 0.000 0.597) 2.654 9.017 ( -0.900 0.000 -5.718) 5.788 9.232 ( -1.575 0.000 4.604) 4.866 9.304 ( 1.986 0.000 -3.750) 4.243 9.749 ( -3.232 0.000 0.195) 3.238 9.786 ( -0.280 0.000 -2.720) 2.734 9.824 ( -9.928 0.000 4.118) 10.748 10.013 ( 5.903 0.000 -4.430) 7.381 10.478 ( -2.689 0.000 4.167) 4.959 10.540 ( -0.150 0.000 -3.264) 3.267 10.940 ( -1.711 0.000 13.400) 13.509 11.096 ( 0.281 0.000 -10.891) 10.895 20.502 ( 0.219 0.000 0.414) 0.469 20.506 ( 0.115 0.000 -0.468) 0.482 20.798 ( 0.170 0.000 1.216) 1.228 20.816 ( 0.793 0.000 -1.089) 1.347 22.797 ( 1.539 0.000 3.068) 3.433 22.803 ( -1.696 0.000 -2.773) 3.251 23.116 ( 1.228 0.000 3.850) 4.041 23.135 ( -1.859 0.000 -4.273) 4.660 24.674 ( -0.798 0.000 3.823) 3.905 24.729 ( 0.488 0.000 -3.781) 3.812 24.886 ( -0.546 0.000 2.494) 2.553 24.918 ( 0.043 0.000 -2.255) 2.255 25.623 ( 0.989 0.000 -0.660) 1.189 25.631 ( 2.872 0.000 0.856) 2.997 26.013 ( 0.106 0.000 -0.178) 0.207 26.020 ( 1.225 0.000 0.437) 1.301 28.351 ( -1.125 0.000 1.432) 1.821 28.370 ( -0.706 0.000 -0.528) 0.882 28.518 ( -0.295 0.000 -1.233) 1.268 28.519 ( 0.840 0.000 1.822) 2.006 28.618 ( -1.083 0.000 1.385) 1.758 28.678 ( 2.584 0.000 -2.706) 3.742 28.842 ( -0.259 0.000 3.139) 3.150 28.890 ( 0.648 0.000 -4.210) 4.260 32.400 ( -0.559 0.000 1.175) 1.301 32.409 ( -0.406 0.000 -1.530) 1.583 32.420 ( -2.134 0.000 1.335) 2.518 32.488 ( 3.184 0.000 -1.340) 3.455 35.424 ( -2.356 0.000 0.311) 2.376 35.462 ( 1.892 0.000 -0.003) 1.892 35.513 ( -1.651 0.000 1.695) 2.366 35.555 ( 1.044 0.000 -1.610) 1.919 88.915 ( -2.181 0.000 4.186) 4.720 88.989 ( 0.704 0.000 -4.193) 4.252 89.251 ( 4.139 0.000 12.627) 13.288 89.285 ( -5.269 0.000 -8.819) 10.274 97.679 ( -0.496 0.000 0.325) 0.593 97.686 ( -0.226 0.000 -0.478) 0.528 97.862 ( -3.682 0.000 -2.330) 4.357 97.886 ( 2.955 0.000 3.789) 4.805 98.704 ( 0.288 0.000 0.272) 0.396 98.704 ( -0.206 0.000 -0.270) 0.340 98.725 ( -1.784 0.000 -0.182) 1.794 98.762 ( 2.411 0.000 -0.130) 2.415 99.601 ( -0.898 0.000 -0.172) 0.914 99.619 ( 1.351 0.000 -0.103) 1.355 100.045 ( 0.270 0.000 11.013) 11.016 100.176 ( 0.204 0.000 -12.811) 12.813 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -16.588 0.000 5.196) 17.383 1.173 ( -19.683 0.000 3.635) 20.016 1.585 ( 8.673 0.000 2.955) 9.162 1.797 ( 6.214 0.000 -5.436) 8.256 1.873 ( -2.429 0.000 -2.966) 3.834 2.007 ( -3.708 0.000 -0.046) 3.708 2.013 ( -3.469 0.000 -1.396) 3.740 2.141 ( -13.413 0.000 9.865) 16.650 2.253 ( -0.819 0.000 -4.411) 4.487 2.301 ( 0.603 0.000 2.506) 2.578 2.334 ( 1.400 0.000 5.395) 5.574 2.476 ( 3.722 0.000 -2.721) 4.610 2.535 ( -2.055 0.000 5.361) 5.741 2.654 ( 3.276 0.000 1.054) 3.441 2.662 ( 0.523 0.000 5.720) 5.744 2.726 ( 3.434 0.000 -5.303) 6.318 2.802 ( -2.609 0.000 0.690) 2.699 3.151 ( 1.345 0.000 4.307) 4.512 3.154 ( 1.115 0.000 -0.380) 1.178 3.282 ( -0.370 0.000 -1.305) 1.357 3.298 ( 2.835 0.000 -2.523) 3.794 3.334 ( 4.859 0.000 -4.154) 6.392 3.503 ( -2.761 0.000 -0.878) 2.897 3.684 ( 3.311 0.000 -6.272) 7.092 4.437 ( -3.843 0.000 3.113) 4.945 4.568 ( -6.131 0.000 3.123) 6.881 4.665 ( 3.161 0.000 -1.771) 3.623 4.694 ( 6.208 0.000 -2.227) 6.596 4.867 ( -1.179 0.000 1.763) 2.121 4.972 ( -1.303 0.000 2.255) 2.604 5.043 ( 3.395 0.000 0.889) 3.510 5.159 ( 12.538 0.000 -7.539) 14.630 5.229 ( -0.097 0.000 10.348) 10.348 5.350 ( 5.321 0.000 -7.062) 8.842 5.387 ( -3.262 0.000 -7.171) 7.878 5.504 ( -5.149 0.000 0.172) 5.152 5.600 ( 4.350 0.000 1.764) 4.693 5.656 ( 5.924 0.000 3.770) 7.022 5.720 ( -1.534 0.000 -1.110) 1.894 5.751 ( 7.566 0.000 2.969) 8.128 5.819 ( 6.920 0.000 4.152) 8.070 6.008 ( -1.289 0.000 -7.382) 7.493 6.103 ( -2.804 0.000 3.300) 4.331 6.131 ( -3.613 0.000 0.603) 3.663 6.372 ( -1.354 0.000 -1.250) 1.843 6.478 ( 1.084 0.000 -0.513) 1.199 6.646 ( -3.749 0.000 -3.906) 5.414 6.822 ( 4.119 0.000 -7.939) 8.944 6.973 ( 6.276 0.000 2.900) 6.914 7.051 ( 7.231 0.000 -7.618) 10.504 7.134 ( -0.284 0.000 1.193) 1.226 7.298 ( -0.896 0.000 -1.753) 1.968 7.379 ( 2.354 0.000 4.628) 5.192 7.476 ( 9.501 0.000 6.996) 11.799 8.007 ( 2.417 0.000 1.666) 2.936 8.034 ( 6.335 0.000 8.339) 10.473 8.180 ( 3.049 0.000 13.497) 13.837 8.222 ( 14.621 0.000 -10.284) 17.876 8.731 ( -1.895 0.000 -6.945) 7.199 8.758 ( -0.931 0.000 -3.831) 3.942 8.945 ( -5.174 0.000 6.078) 7.982 8.967 ( -1.971 0.000 0.683) 2.086 9.233 ( -2.168 0.000 1.789) 2.811 9.274 ( 0.903 0.000 -6.363) 6.427 9.578 ( -14.014 0.000 -1.195) 14.065 9.712 ( -3.985 0.000 -4.177) 5.773 9.758 ( -6.440 0.000 5.850) 8.700 10.015 ( 0.048 0.000 -4.667) 4.667 10.488 ( -2.706 0.000 5.844) 6.440 10.489 ( -2.736 0.000 -2.249) 3.542 10.988 ( 0.078 0.000 -9.804) 9.805 11.059 ( -0.894 0.000 12.420) 12.452 20.503 ( 0.265 0.000 -0.646) 0.698 20.509 ( 0.295 0.000 0.144) 0.328 20.820 ( 0.894 0.000 1.146) 1.453 20.826 ( 1.655 0.000 -1.000) 1.934 22.752 ( -1.155 0.000 -2.124) 2.418 22.850 ( 1.024 0.000 2.502) 2.703 23.061 ( -1.650 0.000 -3.552) 3.916 23.164 ( -0.170 0.000 3.177) 3.181 24.704 ( 0.688 0.000 -2.736) 2.821 24.709 ( -0.396 0.000 4.839) 4.855 24.897 ( -1.207 0.000 2.169) 2.482 24.898 ( 0.386 0.000 -1.971) 2.008 25.663 ( 4.485 0.000 -0.501) 4.513 25.712 ( 5.341 0.000 0.751) 5.393 26.025 ( 1.253 0.000 0.082) 1.256 26.068 ( 3.515 0.000 1.609) 3.866 28.343 ( -1.504 0.000 1.358) 2.026 28.347 ( -1.514 0.000 0.128) 1.519 28.515 ( 1.289 0.000 -1.092) 1.689 28.558 ( 1.051 0.000 2.219) 2.455 28.623 ( -0.479 0.000 2.017) 2.073 28.701 ( 3.315 0.000 -2.277) 4.022 28.843 ( -0.234 0.000 -5.525) 5.530 28.854 ( -1.760 0.000 2.105) 2.744 32.377 ( -2.814 0.000 1.694) 3.285 32.387 ( -0.257 0.000 -1.649) 1.669 32.428 ( 0.258 0.000 1.511) 1.533 32.528 ( 3.080 0.000 -1.062) 3.258 35.391 ( -2.148 0.000 0.804) 2.294 35.494 ( 1.830 0.000 0.164) 1.838 35.499 ( -2.072 0.000 1.663) 2.657 35.549 ( 0.489 0.000 -1.793) 1.859 88.912 ( -3.399 0.000 3.803) 5.101 88.951 ( -0.208 0.000 -3.414) 3.420 89.118 ( -3.512 0.000 -8.571) 9.262 89.482 ( 6.941 0.000 12.934) 14.678 97.670 ( -1.034 0.000 0.428) 1.120 97.673 ( -0.820 0.000 -0.396) 0.911 97.779 ( -3.231 0.000 -2.172) 3.893 97.974 ( 2.998 0.000 2.660) 4.009 98.696 ( -0.943 0.000 -0.725) 1.190 98.700 ( -0.644 0.000 0.658) 0.921 98.712 ( 0.392 0.000 0.218) 0.449 98.802 ( 2.470 0.000 -0.350) 2.494 99.589 ( -0.503 0.000 0.186) 0.536 99.642 ( 1.563 0.000 -0.322) 1.596 100.005 ( -2.799 0.000 -15.407) 15.659 100.141 ( -1.734 0.000 9.232) 9.393 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -13.982 0.000 16.700) 21.781 0.893 ( -19.899 0.000 8.149) 21.503 1.684 ( -1.172 0.000 -7.583) 7.673 1.743 ( -14.460 0.000 2.256) 14.635 1.799 ( -14.487 0.000 4.240) 15.095 1.825 ( 2.974 0.000 3.034) 4.249 2.021 ( 1.236 0.000 8.829) 8.915 2.120 ( 0.980 0.000 1.921) 2.157 2.222 ( 1.283 0.000 -3.006) 3.268 2.384 ( 0.923 0.000 3.814) 3.924 2.394 ( 4.501 0.000 5.637) 7.213 2.522 ( 3.239 0.000 -2.474) 4.076 2.619 ( 2.442 0.000 7.315) 7.712 2.705 ( -1.652 0.000 3.229) 3.627 2.723 ( 2.799 0.000 -3.986) 4.871 2.741 ( 4.382 0.000 1.889) 4.772 2.804 ( 1.022 0.000 1.270) 1.631 3.176 ( 1.481 0.000 0.117) 1.486 3.207 ( 1.447 0.000 0.098) 1.450 3.232 ( -1.294 0.000 -9.060) 9.152 3.261 ( 0.425 0.000 -2.000) 2.045 3.373 ( 3.548 0.000 -4.403) 5.654 3.414 ( -4.180 0.000 -4.474) 6.123 3.631 ( -0.367 0.000 -8.118) 8.126 4.427 ( -0.474 0.000 0.741) 0.880 4.477 ( -6.913 0.000 2.089) 7.221 4.705 ( 3.028 0.000 -0.284) 3.042 4.816 ( 9.161 0.000 -0.426) 9.171 4.882 ( 0.603 0.000 0.936) 1.114 4.952 ( -3.458 0.000 2.338) 4.174 5.110 ( 2.201 0.000 1.978) 2.959 5.210 ( -4.219 0.000 -5.780) 7.156 5.264 ( 10.262 0.000 -8.825) 13.535 5.355 ( -0.724 0.000 3.994) 4.059 5.377 ( 5.359 0.000 -4.898) 7.260 5.489 ( 2.064 0.000 5.814) 6.169 5.691 ( 3.101 0.000 2.717) 4.123 5.767 ( 4.624 0.000 1.517) 4.867 5.792 ( 7.703 0.000 -1.342) 7.819 5.841 ( -4.346 0.000 -4.390) 6.177 5.935 ( 8.207 0.000 6.140) 10.250 6.005 ( 6.521 0.000 0.765) 6.566 6.086 ( -4.221 0.000 3.860) 5.720 6.087 ( -1.117 0.000 1.964) 2.259 6.328 ( -2.212 0.000 -1.954) 2.951 6.461 ( -0.490 0.000 -2.953) 2.993 6.522 ( -2.757 0.000 -7.105) 7.621 6.787 ( 3.801 0.000 -10.329) 11.006 7.034 ( 3.832 0.000 -5.767) 6.924 7.119 ( 5.137 0.000 2.352) 5.650 7.185 ( 0.905 0.000 1.360) 1.633 7.242 ( -0.272 0.000 -4.517) 4.525 7.468 ( 3.090 0.000 5.053) 5.923 7.805 ( 16.852 0.000 10.470) 19.840 8.050 ( 1.392 0.000 1.858) 2.321 8.172 ( 5.225 0.000 1.164) 5.353 8.461 ( 4.744 0.000 18.548) 19.145 8.496 ( 21.939 0.000 1.238) 21.974 8.607 ( 0.278 0.000 -8.917) 8.922 8.697 ( -0.585 0.000 -3.952) 3.995 8.913 ( -6.293 0.000 6.105) 8.768 8.940 ( -3.106 0.000 1.262) 3.353 9.201 ( -0.559 0.000 -7.945) 7.964 9.206 ( -3.053 0.000 0.349) 3.073 9.321 ( -13.383 0.000 -1.102) 13.429 9.575 ( -5.637 0.000 -5.626) 7.964 9.708 ( -7.513 0.000 6.658) 10.038 9.928 ( -2.965 0.000 -6.117) 6.798 10.397 ( -5.789 0.000 -1.667) 6.024 10.499 ( -3.979 0.000 5.853) 7.078 10.902 ( 0.995 0.000 -7.375) 7.442 11.134 ( -3.679 0.000 5.669) 6.758 20.504 ( 0.628 0.000 -0.347) 0.718 20.514 ( 0.308 0.000 -0.044) 0.311 20.847 ( 1.982 0.000 -0.808) 2.140 20.847 ( 0.923 0.000 1.004) 1.364 22.723 ( -0.257 0.000 -1.020) 1.052 22.876 ( -0.317 0.000 1.007) 1.056 23.016 ( -0.163 0.000 -1.929) 1.936 23.174 ( -1.713 0.000 1.581) 2.331 24.696 ( 1.131 0.000 -1.371) 1.777 24.765 ( 0.708 0.000 4.916) 4.967 24.892 ( 1.052 0.000 -1.326) 1.692 24.893 ( -1.570 0.000 1.710) 2.321 25.751 ( 5.954 0.000 -0.063) 5.954 25.805 ( 4.840 0.000 0.124) 4.842 26.053 ( 1.629 0.000 0.607) 1.738 26.177 ( 7.026 0.000 1.915) 7.282 28.330 ( -1.155 0.000 1.148) 1.628 28.342 ( 0.310 0.000 1.399) 1.433 28.533 ( 2.329 0.000 -1.213) 2.626 28.598 ( 0.815 0.000 2.352) 2.489 28.640 ( -0.581 0.000 2.180) 2.256 28.736 ( 3.375 0.000 -1.928) 3.887 28.764 ( -2.524 0.000 -4.688) 5.324 28.829 ( -3.284 0.000 1.135) 3.475 32.351 ( -2.471 0.000 1.611) 2.949 32.368 ( 0.252 0.000 -1.756) 1.774 32.463 ( 1.312 0.000 3.115) 3.380 32.565 ( 2.477 0.000 -0.884) 2.630 35.373 ( -1.548 0.000 1.601) 2.227 35.483 ( -1.958 0.000 1.854) 2.696 35.514 ( 0.658 0.000 -1.589) 1.720 35.545 ( 1.602 0.000 -1.037) 1.908 88.885 ( -4.059 0.000 2.905) 4.992 88.912 ( -0.960 0.000 -2.796) 2.957 89.001 ( 0.201 0.000 -7.028) 7.030 89.689 ( 4.715 0.000 0.940) 4.808 97.651 ( -1.159 0.000 -0.609) 1.310 97.656 ( -1.185 0.000 0.381) 1.244 97.717 ( -1.909 0.000 -1.286) 2.302 97.995 ( -1.592 0.000 -4.858) 5.112 98.690 ( 0.755 0.000 1.513) 1.691 98.700 ( -0.609 0.000 1.254) 1.394 98.721 ( 0.417 0.000 0.105) 0.430 98.832 ( 1.826 0.000 -0.933) 2.051 99.591 ( 0.034 0.000 1.069) 1.070 99.661 ( 1.443 0.000 -0.895) 1.699 99.788 ( -4.642 0.000 -9.225) 10.327 100.179 ( -4.127 0.000 6.867) 8.011 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -11.727 0.000 17.363) 20.952 0.849 ( -8.109 0.000 20.670) 22.203 1.507 ( -0.805 0.000 -16.271) 16.291 1.508 ( -16.844 0.000 8.679) 18.949 1.652 ( -7.711 0.000 3.124) 8.320 1.941 ( 3.771 0.000 3.341) 5.038 2.169 ( 0.433 0.000 4.248) 4.270 2.197 ( 2.778 0.000 13.258) 13.546 2.233 ( 1.866 0.000 2.589) 3.191 2.453 ( 1.312 0.000 4.152) 4.355 2.526 ( 2.247 0.000 -3.961) 4.554 2.536 ( 5.310 0.000 4.445) 6.925 2.685 ( -2.467 0.000 -0.058) 2.468 2.728 ( 1.831 0.000 5.213) 5.526 2.730 ( 1.337 0.000 -1.288) 1.856 2.810 ( -0.574 0.000 4.793) 4.828 2.856 ( 4.970 0.000 -1.155) 5.103 3.081 ( -1.581 0.000 -13.539) 13.631 3.192 ( -0.203 0.000 -3.497) 3.503 3.199 ( 0.680 0.000 -0.155) 0.697 3.209 ( -2.139 0.000 -8.522) 8.786 3.333 ( -1.579 0.000 1.677) 2.303 3.352 ( 0.655 0.000 -6.369) 6.402 3.516 ( -2.173 0.000 -8.098) 8.385 4.402 ( -4.473 0.000 2.012) 4.905 4.419 ( -0.086 0.000 -1.149) 1.152 4.769 ( 3.444 0.000 2.358) 4.174 4.891 ( -0.125 0.000 0.478) 0.494 4.905 ( -6.497 0.000 4.141) 7.704 4.952 ( 7.338 0.000 -2.546) 7.767 5.120 ( 2.805 0.000 -1.469) 3.167 5.214 ( 3.616 0.000 3.089) 4.755 5.305 ( 3.334 0.000 -6.125) 6.974 5.383 ( -2.194 0.000 7.300) 7.623 5.416 ( 5.906 0.000 -5.037) 7.762 5.586 ( 0.307 0.000 6.676) 6.683 5.673 ( -2.939 0.000 -6.311) 6.961 5.788 ( 0.961 0.000 3.593) 3.720 5.842 ( 3.129 0.000 -0.002) 3.129 5.888 ( 4.887 0.000 -4.177) 6.428 6.008 ( -0.366 0.000 0.450) 0.580 6.039 ( -6.167 0.000 3.270) 6.980 6.080 ( 3.565 0.000 -2.817) 4.543 6.209 ( 0.605 0.000 -2.431) 2.505 6.300 ( 5.767 0.000 3.385) 6.687 6.422 ( 2.903 0.000 -5.537) 6.252 6.450 ( -0.756 0.000 -0.962) 1.224 6.726 ( 1.922 0.000 -10.763) 10.934 7.083 ( 5.817 0.000 -1.567) 6.025 7.103 ( -3.152 0.000 -0.548) 3.199 7.195 ( 0.567 0.000 -0.163) 0.590 7.263 ( 1.710 0.000 -0.462) 1.771 7.637 ( 9.518 0.000 7.351) 12.026 8.111 ( 2.315 0.000 4.069) 4.682 8.134 ( 1.902 0.000 8.015) 8.238 8.285 ( 12.553 0.000 1.175) 12.608 8.419 ( -3.590 0.000 -6.784) 7.675 8.663 ( 1.780 0.000 -3.017) 3.503 8.749 ( -0.838 0.000 8.065) 8.109 8.841 ( 4.330 0.000 5.448) 6.959 8.880 ( -4.165 0.000 5.417) 6.833 8.924 ( 0.728 0.000 5.439) 5.488 9.064 ( -7.038 0.000 -2.104) 7.346 9.131 ( 11.125 0.000 -11.347) 15.891 9.238 ( -1.451 0.000 2.064) 2.523 9.437 ( -1.499 0.000 -7.856) 7.998 9.654 ( -8.434 0.000 7.954) 11.593 9.816 ( -0.762 0.000 -7.425) 7.464 10.289 ( -3.275 0.000 -1.737) 3.707 10.454 ( -8.435 0.000 3.303) 9.059 10.873 ( 3.340 0.000 -4.757) 5.812 11.012 ( -13.186 0.000 -0.025) 13.186 20.516 ( 0.993 0.000 -0.206) 1.014 20.518 ( 0.200 0.000 -0.055) 0.208 20.868 ( 0.317 0.000 0.871) 0.926 20.871 ( 1.648 0.000 -0.588) 1.750 22.726 ( 1.082 0.000 0.523) 1.202 22.860 ( -1.785 0.000 -0.696) 1.916 23.017 ( 1.578 0.000 -0.126) 1.583 23.143 ( -2.703 0.000 -0.169) 2.708 24.713 ( 1.714 0.000 0.037) 1.714 24.808 ( -0.169 0.000 0.457) 0.488 24.895 ( -0.515 0.000 2.222) 2.281 24.903 ( 1.452 0.000 -0.721) 1.621 25.841 ( 4.297 0.000 0.170) 4.300 25.866 ( 2.551 0.000 -0.150) 2.556 26.093 ( 1.909 0.000 1.747) 2.588 26.279 ( 3.660 0.000 -3.147) 4.827 28.336 ( -0.506 0.000 2.364) 2.417 28.399 ( 5.230 0.000 -0.555) 5.259 28.562 ( 2.724 0.000 -1.615) 3.167 28.605 ( -4.295 0.000 -1.010) 4.412 28.643 ( 1.592 0.000 1.669) 2.307 28.707 ( -2.065 0.000 3.443) 4.015 28.764 ( -0.761 0.000 0.768) 1.082 28.777 ( -0.533 0.000 -2.266) 2.328 32.332 ( -1.891 0.000 1.668) 2.521 32.359 ( 0.902 0.000 -1.751) 1.970 32.533 ( 2.740 0.000 2.461) 3.683 32.589 ( 1.458 0.000 -0.771) 1.649 35.375 ( -0.819 0.000 2.438) 2.572 35.477 ( -1.331 0.000 2.185) 2.558 35.493 ( 0.070 0.000 -2.728) 2.729 35.559 ( 1.319 0.000 -2.220) 2.582 88.843 ( -3.889 0.000 1.841) 4.303 88.859 ( -0.529 0.000 -3.401) 3.442 88.996 ( 5.767 0.000 -3.761) 6.885 89.514 ( -18.396 0.000 -11.073) 21.471 97.626 ( -0.645 0.000 -0.816) 1.040 97.640 ( -1.127 0.000 0.061) 1.129 97.690 ( -0.253 0.000 -0.506) 0.565 97.810 ( -9.914 0.000 -4.900) 11.059 98.706 ( -0.616 0.000 1.684) 1.793 98.728 ( 0.421 0.000 -0.068) 0.427 98.751 ( 3.135 0.000 1.173) 3.347 98.839 ( 0.567 0.000 -1.508) 1.611 99.611 ( -0.180 0.000 1.799) 1.808 99.670 ( 1.158 0.000 -1.539) 1.926 99.789 ( 9.722 0.000 3.413) 10.304 100.145 ( -7.187 0.000 4.215) 8.332 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -5.341 11.014 16.993) 20.943 1.069 ( -1.436 10.962 17.317) 20.545 1.379 ( 2.640 6.593 -16.209) 17.697 1.439 ( 2.886 6.255 -15.256) 16.739 1.792 ( -3.005 5.533 20.437) 21.385 2.015 ( 1.975 0.860 -2.775) 3.513 2.155 ( 0.081 -4.574 8.135) 9.333 2.244 ( -0.363 -3.121 2.360) 3.929 2.335 ( 1.458 -5.385 4.887) 7.416 2.427 ( 0.053 -4.181 1.333) 4.388 2.544 ( 2.582 1.149 4.592) 5.392 2.610 ( 0.719 -0.857 4.442) 4.581 2.622 ( -3.678 -0.569 -2.888) 4.711 2.735 ( -1.810 -0.577 0.205) 1.911 2.827 ( 2.470 3.707 -1.014) 4.568 2.885 ( -0.943 -1.010 -1.670) 2.168 2.917 ( 0.990 4.180 -4.742) 6.398 2.949 ( 1.951 1.570 -6.949) 7.387 3.082 ( 1.486 -0.768 -1.360) 2.156 3.166 ( -3.054 -0.712 -4.715) 5.662 3.173 ( 0.210 0.034 0.871) 0.896 3.278 ( -0.535 1.316 -5.320) 5.507 3.374 ( -2.365 2.250 0.891) 3.384 3.442 ( 0.509 1.342 -3.638) 3.911 4.388 ( 2.407 -1.326 -0.693) 2.834 4.390 ( -1.796 0.772 -1.105) 2.245 4.735 ( -2.398 -7.861 6.238) 10.318 4.806 ( -0.398 -5.782 0.097) 5.797 4.925 ( -0.896 2.779 0.713) 3.006 4.971 ( 0.756 1.248 -3.189) 3.507 5.158 ( 3.941 -1.687 1.461) 4.529 5.222 ( -2.766 -0.374 -5.334) 6.020 5.367 ( -0.963 3.496 6.729) 7.644 5.433 ( -5.276 0.988 7.251) 9.022 5.493 ( 0.546 1.246 -3.611) 3.859 5.567 ( 4.087 -2.090 -4.499) 6.427 5.583 ( 1.511 -4.984 5.590) 7.640 5.717 ( -2.037 -6.929 -4.460) 8.488 5.755 ( 2.700 -3.928 5.037) 6.934 5.858 ( -0.349 -2.019 -4.569) 5.008 6.047 ( -2.776 3.388 0.453) 4.403 6.066 ( 3.586 1.731 0.533) 4.017 6.127 ( 0.457 4.129 -3.643) 5.526 6.156 ( -2.066 2.532 -4.436) 5.509 6.390 ( -1.355 1.205 0.799) 1.982 6.414 ( -0.865 -1.453 -1.229) 2.091 6.601 ( 5.452 8.055 3.242) 10.253 6.737 ( -2.392 7.470 -8.758) 11.757 7.105 ( -1.234 0.655 1.774) 2.258 7.143 ( 1.779 1.370 -1.682) 2.806 7.192 ( 3.152 -1.790 4.031) 5.421 7.264 ( -2.780 0.812 -2.677) 3.944 7.876 ( 9.921 -1.411 6.830) 12.127 7.986 ( -12.552 -1.537 -3.584) 13.144 8.200 ( 0.322 0.334 7.531) 7.545 8.300 ( -4.701 1.259 0.522) 4.894 8.522 ( 9.549 -6.795 1.038) 11.766 8.585 ( -4.678 -3.473 -3.273) 6.682 8.724 ( 9.627 -1.303 2.857) 10.126 8.767 ( -10.617 1.444 0.275) 10.718 8.894 ( -2.898 0.877 6.157) 6.861 9.014 ( 0.808 3.866 -1.964) 4.411 9.091 ( -3.151 1.139 5.790) 6.689 9.216 ( -1.514 0.619 0.913) 1.873 9.264 ( 7.697 -2.737 -7.262) 10.930 9.357 ( 2.265 -0.008 -8.518) 8.814 9.621 ( -5.473 1.107 7.493) 9.345 9.802 ( 4.523 -0.143 -8.143) 9.316 10.261 ( -5.230 -1.250 1.948) 5.719 10.300 ( 5.793 -0.581 -1.644) 6.050 10.780 ( -8.122 -3.705 4.806) 10.139 10.868 ( 5.931 -4.065 -3.128) 7.841 20.537 ( -0.119 1.676 0.583) 1.778 20.569 ( 0.316 2.829 -2.604) 3.858 20.892 ( -0.690 1.643 0.780) 1.946 20.908 ( 0.606 1.811 -0.652) 2.018 22.778 ( 2.385 0.785 1.584) 2.968 22.814 ( -2.251 0.417 -1.561) 2.771 23.062 ( 2.716 -0.012 0.839) 2.843 23.085 ( -2.627 -0.275 -1.207) 2.904 24.717 ( 1.161 -2.456 0.686) 2.802 24.729 ( -1.359 -3.325 -0.305) 3.604 24.918 ( -0.355 1.449 1.765) 2.311 24.948 ( 0.462 1.336 -0.879) 1.665 25.887 ( 0.606 0.402 0.037) 0.728 25.888 ( -0.318 0.399 -0.093) 0.518 26.150 ( 0.582 -0.057 3.151) 3.204 26.228 ( -2.305 -0.312 -3.894) 4.535 28.350 ( -0.917 -0.592 3.046) 3.235 28.409 ( -0.100 -1.649 -1.973) 2.573 28.554 ( -2.088 0.794 1.613) 2.755 28.596 ( 2.289 1.012 -2.047) 3.233 28.683 ( 0.753 -0.665 1.974) 2.215 28.694 ( -2.733 -1.886 1.413) 3.609 28.702 ( 1.689 -2.290 1.167) 3.076 28.769 ( 2.228 -1.542 -3.290) 4.262 32.334 ( -1.247 1.068 1.636) 2.318 32.371 ( 1.315 0.991 -1.648) 2.329 32.549 ( 0.259 -2.033 1.852) 2.762 32.582 ( 0.042 -1.258 -1.356) 1.850 35.398 ( -0.213 0.238 2.695) 2.714 35.454 ( 0.112 -0.642 -2.021) 2.123 35.507 ( -0.294 1.464 1.135) 1.876 35.548 ( -0.150 0.534 -2.098) 2.170 88.795 ( -3.069 -0.278 1.939) 3.641 88.843 ( 2.046 0.088 -2.377) 3.137 89.025 ( -12.886 -4.362 3.819) 14.130 89.083 ( 7.284 -2.665 -1.715) 7.944 97.616 ( -0.494 0.177 0.133) 0.541 97.625 ( 0.379 0.326 -0.666) 0.833 97.681 ( -2.286 -0.474 0.603) 2.412 97.691 ( 1.528 -0.533 -0.281) 1.643 98.701 ( -0.222 -0.229 1.009) 1.058 98.711 ( 0.319 -0.336 0.221) 0.513 98.880 ( -0.667 4.820 -0.138) 4.868 98.916 ( 0.196 7.104 -3.739) 8.030 99.639 ( -0.038 1.440 1.876) 2.365 99.682 ( 0.311 1.380 -1.998) 2.448 99.994 ( -3.471 -3.188 1.056) 4.830 100.006 ( 7.389 -3.288 0.031) 8.088 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.408 5.079 12.005) 13.041 1.255 ( 4.392 9.859 1.029) 10.841 1.336 ( 8.066 11.321 -1.524) 13.984 1.388 ( 10.104 4.801 -11.255) 15.869 1.916 ( -1.954 1.610 6.588) 7.057 2.014 ( 3.460 2.304 -4.055) 5.807 2.223 ( 0.018 -3.936 2.172) 4.495 2.250 ( -1.147 -5.974 0.353) 6.093 2.354 ( -1.080 -4.962 -3.042) 5.920 2.452 ( 3.573 -2.597 -1.606) 4.700 2.525 ( -2.690 2.017 -0.639) 3.422 2.589 ( -0.494 -1.546 4.892) 5.154 2.658 ( -2.666 -0.487 -7.896) 8.348 2.708 ( -0.930 3.188 4.882) 5.904 2.824 ( -0.939 2.154 -0.984) 2.547 2.853 ( 0.605 0.243 1.507) 1.642 2.888 ( -0.507 5.463 -1.566) 5.706 2.923 ( 1.018 -0.896 -2.380) 2.739 3.058 ( -0.538 -3.346 -1.214) 3.599 3.166 ( -0.792 0.388 0.669) 1.107 3.203 ( 0.423 0.181 -4.880) 4.901 3.219 ( 1.518 2.524 8.050) 8.572 3.376 ( -1.906 1.328 4.490) 5.055 3.421 ( 0.750 2.037 -2.445) 3.270 4.370 ( 0.321 -1.610 -0.248) 1.661 4.429 ( 3.054 -0.446 -0.290) 3.100 4.738 ( -3.823 -6.205 1.688) 7.481 4.781 ( -3.509 -5.842 3.624) 7.718 4.879 ( -2.751 1.820 -1.136) 3.489 4.964 ( -0.783 0.493 0.237) 0.955 5.139 ( 0.012 0.324 -4.072) 4.085 5.215 ( -2.963 -1.273 2.771) 4.252 5.280 ( -9.662 0.818 1.823) 9.867 5.386 ( -4.707 2.621 -0.249) 5.394 5.480 ( -1.505 -3.641 5.273) 6.583 5.594 ( 1.639 2.909 -5.763) 6.661 5.658 ( 1.806 -4.932 -4.595) 6.978 5.691 ( 0.520 -4.559 4.426) 6.376 5.767 ( -1.524 -3.886 -3.187) 5.251 5.835 ( 1.453 -3.033 0.528) 3.404 6.027 ( 0.145 0.463 1.245) 1.336 6.088 ( -0.999 3.404 -1.757) 3.959 6.121 ( 1.408 3.183 -0.431) 3.507 6.163 ( 4.074 3.219 3.445) 6.231 6.343 ( -6.919 0.633 -0.058) 6.948 6.356 ( -4.555 1.463 1.972) 5.175 6.585 ( -4.112 4.123 -6.259) 8.549 6.713 ( 2.477 9.796 2.492) 10.407 7.039 ( -9.548 -2.534 -0.240) 9.882 7.144 ( 0.916 1.407 -1.284) 2.114 7.162 ( 0.153 0.102 0.023) 0.185 7.314 ( 2.343 2.081 -0.262) 3.145 7.717 ( -13.264 -0.699 -1.933) 13.422 8.096 ( 5.682 -3.403 6.761) 9.465 8.208 ( -4.193 2.059 -0.596) 4.709 8.227 ( -8.005 -0.334 6.474) 10.301 8.405 ( -7.376 -3.196 -10.105) 12.913 8.581 ( -0.962 -3.155 -0.492) 3.335 8.658 ( -4.918 -5.694 6.117) 9.697 8.874 ( -4.900 0.637 1.750) 5.242 8.991 ( 11.700 1.066 1.920) 11.904 9.018 ( -5.768 4.390 0.946) 7.310 9.069 ( 6.413 4.625 1.886) 8.128 9.242 ( -0.044 -1.699 -3.478) 3.871 9.276 ( 6.206 1.378 -10.006) 11.854 9.332 ( 5.149 1.398 0.799) 5.395 9.651 ( -0.408 1.147 7.427) 7.526 9.793 ( 3.950 -2.146 -5.897) 7.415 10.283 ( 5.327 1.361 0.239) 5.504 10.426 ( 9.273 -3.779 -1.176) 10.082 10.722 ( -5.664 -2.818 5.409) 8.323 10.965 ( 9.125 -5.872 -2.402) 11.114 20.535 ( -0.984 1.825 0.446) 2.121 20.547 ( -0.385 1.999 -0.742) 2.167 20.878 ( -1.958 1.739 0.701) 2.711 20.902 ( -0.589 1.407 -0.575) 1.630 22.758 ( -2.047 0.820 -1.569) 2.706 22.835 ( 2.183 0.169 1.407) 2.603 23.032 ( -1.969 0.224 -0.990) 2.215 23.125 ( 3.473 -0.582 0.840) 3.620 24.691 ( -2.336 -2.160 -0.145) 3.185 24.741 ( 0.531 -3.649 0.519) 3.724 24.923 ( -0.469 2.054 0.675) 2.213 24.952 ( 0.962 1.418 -0.798) 1.890 25.849 ( -4.051 0.370 -0.299) 4.079 25.868 ( -2.739 0.435 0.007) 2.773 26.134 ( -3.731 0.241 -0.728) 3.809 26.191 ( -1.707 -0.541 2.738) 3.272 28.354 ( -1.853 -0.564 2.051) 2.821 28.372 ( -1.682 -0.481 -0.699) 1.884 28.537 ( -1.800 0.544 0.962) 2.112 28.611 ( 1.590 0.832 -0.722) 1.934 28.659 ( -1.330 -1.332 -0.475) 1.941 28.693 ( -1.473 -0.593 2.272) 2.772 28.761 ( 1.614 -1.984 -3.200) 4.097 28.786 ( 5.489 -2.329 -1.578) 6.168 32.333 ( -0.866 1.033 1.439) 1.971 32.381 ( 1.808 0.984 -1.521) 2.560 32.549 ( -1.742 -1.697 -0.063) 2.433 32.563 ( -0.725 -1.010 -0.313) 1.282 35.426 ( 0.114 -0.107 2.530) 2.535 35.431 ( 0.159 -0.212 -2.230) 2.245 35.515 ( -0.646 0.937 1.108) 1.588 35.536 ( 0.727 0.852 -0.695) 1.319 88.781 ( -1.161 -0.220 2.986) 3.211 88.867 ( -0.582 -1.229 1.142) 1.776 88.910 ( -1.645 0.683 1.696) 2.459 89.271 ( 11.886 -6.008 2.487) 13.549 97.616 ( 0.655 0.183 0.133) 0.693 97.641 ( 1.504 0.164 -0.190) 1.525 97.673 ( 0.015 -0.424 0.634) 0.763 97.740 ( 4.263 -1.234 0.659) 4.486 98.696 ( -0.683 -0.360 0.047) 0.773 98.725 ( 0.884 -0.297 -0.146) 0.944 98.864 ( -2.087 5.821 1.514) 6.367 98.881 ( -1.207 4.959 -1.120) 5.225 99.648 ( -0.570 1.081 0.221) 1.242 99.675 ( 0.823 1.846 -0.637) 2.119 99.835 ( -8.745 -1.069 -1.973) 9.028 100.177 ( 9.451 -4.940 -2.872) 11.044 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 11.300 7.580 -6.660) 15.150 1.272 ( 8.060 6.879 -12.297) 16.233 1.475 ( 8.492 4.460 4.595) 10.636 1.588 ( 7.818 6.361 9.074) 13.561 1.898 ( -3.053 0.637 0.379) 3.142 2.036 ( 1.001 2.483 -1.416) 3.028 2.185 ( 0.953 -8.187 -8.667) 11.961 2.222 ( -0.504 -0.813 -2.798) 2.957 2.291 ( 0.258 -3.636 -3.276) 4.901 2.423 ( -3.153 -1.143 -5.187) 6.177 2.488 ( 2.647 4.352 -9.932) 11.162 2.550 ( -0.543 -0.230 0.378) 0.700 2.633 ( -0.873 -0.541 0.748) 1.271 2.705 ( -3.799 3.445 2.466) 5.691 2.785 ( -4.713 4.694 -1.037) 6.732 2.841 ( 1.956 -3.804 -4.571) 6.260 2.889 ( 0.339 2.502 -0.621) 2.600 2.979 ( 3.057 -0.951 8.547) 9.127 3.106 ( -2.860 0.014 1.086) 3.059 3.134 ( 3.090 -3.775 4.786) 6.834 3.184 ( -1.276 -0.353 0.837) 1.566 3.316 ( -1.783 4.085 6.126) 7.576 3.414 ( 3.151 1.459 -1.230) 3.684 3.424 ( -2.079 1.484 9.357) 9.699 4.391 ( 2.489 -3.115 -0.328) 4.001 4.478 ( 2.350 -1.367 0.759) 2.823 4.667 ( -3.600 -4.514 -0.974) 5.855 4.748 ( -6.477 -3.047 3.929) 8.166 4.842 ( -0.618 -1.406 -0.495) 1.614 4.954 ( -0.702 0.277 1.536) 1.711 5.069 ( -11.311 -1.893 2.677) 11.777 5.140 ( 1.930 -0.524 -1.028) 2.249 5.215 ( -2.709 2.427 0.414) 3.661 5.328 ( -3.715 2.166 1.324) 4.500 5.474 ( -3.734 -4.547 -0.825) 5.941 5.522 ( -1.974 -3.674 -3.735) 5.598 5.584 ( -3.660 -3.383 -4.376) 6.632 5.706 ( -4.364 -1.781 2.724) 5.444 5.750 ( 2.521 -0.945 1.302) 2.990 5.871 ( 1.922 0.012 0.008) 1.922 6.015 ( -5.251 -0.708 -2.353) 5.798 6.036 ( -5.593 2.206 0.350) 6.022 6.153 ( 2.105 0.380 -2.038) 2.955 6.190 ( -5.893 1.827 -0.210) 6.173 6.280 ( 3.690 2.410 4.669) 6.420 6.353 ( -0.365 1.793 6.947) 7.184 6.469 ( -3.679 3.124 -2.122) 5.272 6.739 ( -1.796 6.982 2.520) 7.637 6.901 ( -6.710 -2.852 1.954) 7.548 7.106 ( -5.281 -2.554 -2.379) 6.330 7.195 ( 4.053 1.987 -0.427) 4.534 7.300 ( -1.616 5.218 -0.102) 5.464 7.559 ( -4.523 2.128 -0.297) 5.007 7.988 ( -13.355 -3.770 -7.318) 15.688 8.124 ( -2.804 0.382 -2.587) 3.834 8.231 ( -4.905 -2.049 -4.747) 7.127 8.267 ( -2.394 -1.218 8.526) 8.939 8.537 ( -11.763 0.677 5.429) 12.973 8.589 ( 0.358 -2.468 1.385) 2.852 8.858 ( -2.437 1.214 -1.215) 2.982 8.913 ( -3.039 1.423 -4.193) 5.370 9.093 ( 3.579 -0.970 -2.842) 4.672 9.167 ( 2.614 7.624 -2.545) 8.452 9.223 ( 5.478 2.829 0.869) 6.227 9.363 ( 11.930 1.595 -2.709) 12.337 9.519 ( 11.053 2.973 2.927) 11.814 9.741 ( 2.982 -2.267 3.999) 5.479 9.823 ( 4.988 -2.060 -2.544) 5.966 10.387 ( 5.926 -0.360 -0.154) 5.939 10.532 ( 4.889 -3.127 -1.918) 6.112 10.706 ( -3.923 -2.934 6.824) 8.401 11.095 ( 8.756 -8.511 -2.929) 12.557 20.518 ( -1.006 1.496 -0.093) 1.805 20.539 ( -0.846 1.804 0.606) 2.082 20.846 ( -2.484 1.437 0.648) 2.942 20.879 ( -1.242 1.046 -0.598) 1.730 22.722 ( -0.937 0.807 -0.400) 1.300 22.873 ( 1.147 -0.758 0.451) 1.447 23.004 ( -0.711 0.907 0.030) 1.153 23.184 ( 2.883 -1.089 -0.282) 3.095 24.655 ( -2.261 -1.566 0.638) 2.824 24.742 ( -0.529 -4.511 -0.269) 4.550 24.927 ( 0.517 2.652 0.083) 2.704 24.955 ( 0.810 1.927 -1.278) 2.450 25.760 ( -5.845 0.646 -0.288) 5.887 25.805 ( -4.654 0.308 0.159) 4.666 26.074 ( -2.759 0.468 -0.480) 2.840 26.161 ( -5.016 -0.685 2.079) 5.473 28.344 ( -0.590 -0.073 0.376) 0.704 28.351 ( -0.362 0.090 0.245) 0.446 28.516 ( -1.725 0.341 0.709) 1.896 28.622 ( -1.287 -1.007 -0.584) 1.735 28.642 ( 0.461 -0.584 0.648) 0.987 28.692 ( -0.620 0.522 1.228) 1.472 28.742 ( 0.588 -1.745 -3.221) 3.710 28.851 ( 4.271 -1.957 -1.828) 5.041 32.338 ( -0.164 0.665 1.161) 1.348 32.398 ( 2.069 0.950 -1.233) 2.589 32.507 ( -1.812 -1.239 -1.549) 2.687 32.544 ( -1.820 -0.254 0.437) 1.889 35.416 ( 0.697 0.050 -1.812) 1.942 35.455 ( 0.242 -0.599 1.937) 2.042 35.514 ( -0.462 0.626 0.665) 1.023 35.545 ( 0.526 1.143 -0.030) 1.258 88.821 ( 1.378 -1.071 3.632) 4.030 88.854 ( -2.422 -1.211 3.740) 4.618 88.961 ( 4.989 1.770 -1.172) 5.422 89.468 ( 6.148 -8.992 3.454) 11.427 97.638 ( 1.597 -0.117 0.224) 1.617 97.663 ( 1.427 0.054 -0.297) 1.459 97.689 ( 0.996 -0.356 0.832) 1.346 97.836 ( 4.630 -3.281 2.170) 6.075 98.686 ( -0.135 -0.245 -0.254) 0.378 98.732 ( 0.594 0.002 -0.905) 1.083 98.839 ( -3.280 6.309 1.933) 7.369 98.851 ( -2.097 3.666 0.564) 4.261 99.628 ( -1.370 0.312 -1.492) 2.050 99.679 ( -0.362 1.877 0.030) 1.912 99.722 ( -1.598 1.547 0.157) 2.229 100.261 ( 5.803 -4.793 -4.730) 8.889 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.099 4.909 -15.242) 20.070 1.385 ( 14.759 7.588 -6.338) 17.765 1.643 ( 1.527 0.942 5.220) 5.519 1.732 ( -0.253 4.383 0.549) 4.425 1.868 ( 2.445 2.583 -0.006) 3.557 1.997 ( -2.338 0.603 -0.795) 2.542 2.082 ( -1.010 -2.203 -7.680) 8.053 2.197 ( 0.641 -1.777 -1.663) 2.517 2.307 ( 0.034 -0.288 -0.115) 0.312 2.347 ( -0.077 -1.340 0.819) 1.572 2.444 ( 3.899 2.313 -8.693) 9.804 2.559 ( -5.329 0.405 -4.616) 7.062 2.566 ( 1.613 0.360 -2.369) 2.889 2.642 ( -4.648 -1.390 1.308) 5.025 2.711 ( -1.841 2.825 -1.598) 3.731 2.794 ( -0.537 -1.135 -6.333) 6.457 2.894 ( 4.421 2.299 -3.158) 5.899 3.064 ( -2.530 -3.533 2.903) 5.225 3.152 ( 2.539 0.632 7.537) 7.978 3.154 ( -1.473 -0.770 1.899) 2.524 3.251 ( 0.767 0.471 5.325) 5.401 3.301 ( -5.112 3.219 4.684) 7.644 3.459 ( 1.501 1.066 4.156) 4.546 3.523 ( 0.976 1.806 7.011) 7.305 4.444 ( 4.540 -3.120 -0.691) 5.552 4.508 ( -1.302 -4.122 2.361) 4.926 4.621 ( -2.831 -1.709 1.923) 3.826 4.661 ( -4.205 -2.365 -1.028) 4.933 4.842 ( 1.182 -2.315 -0.522) 2.651 4.946 ( -5.642 -3.243 2.713) 7.051 4.977 ( -1.911 -0.312 3.178) 3.722 5.107 ( -5.094 1.128 -0.047) 5.217 5.244 ( 3.081 0.225 2.888) 4.229 5.276 ( -3.784 2.642 1.947) 5.008 5.360 ( -3.952 -5.052 -4.945) 8.099 5.478 ( 2.764 -3.745 -2.564) 5.314 5.533 ( -1.915 -6.587 0.095) 6.860 5.625 ( -5.513 -0.741 1.338) 5.721 5.815 ( -4.788 0.093 1.402) 4.990 5.825 ( -7.369 1.217 -0.356) 7.478 5.881 ( -10.106 0.743 -0.881) 10.171 5.908 ( 2.813 2.714 -0.019) 3.908 6.146 ( 1.661 -0.743 -0.865) 2.014 6.174 ( 2.558 0.782 -1.876) 3.267 6.380 ( 1.949 6.023 4.105) 7.545 6.407 ( -3.601 -0.156 4.621) 5.860 6.502 ( 5.940 -2.260 4.692) 7.900 6.746 ( -2.089 6.478 5.326) 8.643 6.823 ( -7.370 -2.934 3.705) 8.755 6.970 ( -5.293 -3.434 -3.032) 7.000 7.256 ( 2.824 -0.420 0.041) 2.856 7.280 ( -0.089 4.110 -2.200) 4.663 7.514 ( -1.089 5.654 -1.472) 5.943 7.693 ( -7.340 -1.454 -12.367) 14.454 8.060 ( -3.287 -3.438 -4.700) 6.687 8.093 ( -8.810 1.887 2.762) 9.424 8.159 ( -10.946 4.821 1.848) 12.103 8.559 ( 1.254 1.268 5.277) 5.570 8.572 ( -2.291 1.212 -4.634) 5.310 8.699 ( -1.480 2.470 -3.019) 4.172 8.938 ( 1.571 -2.416 1.003) 3.052 9.127 ( 4.147 0.783 -3.436) 5.442 9.197 ( 1.223 4.858 1.782) 5.318 9.290 ( 3.257 4.762 -1.027) 5.859 9.572 ( 12.491 0.255 0.337) 12.498 9.691 ( 6.337 3.036 1.564) 7.199 9.815 ( 4.632 -4.621 -1.604) 6.737 9.892 ( 3.210 -2.012 1.268) 3.995 10.454 ( 2.482 -1.564 -0.346) 2.954 10.552 ( 0.795 -1.868 -2.246) 3.028 10.741 ( -2.049 -2.525 8.895) 9.471 11.160 ( 4.597 -8.510 -6.222) 11.501 20.506 ( -0.382 1.242 0.141) 1.307 20.530 ( -0.866 1.457 0.496) 1.767 20.815 ( -2.038 1.005 0.774) 2.401 20.851 ( -1.178 0.694 -0.759) 1.564 22.721 ( 0.229 0.774 1.214) 1.457 22.885 ( 0.247 -0.665 -0.502) 0.869 23.006 ( 0.265 0.522 1.082) 1.230 23.207 ( 1.259 -1.525 -2.049) 2.848 24.633 ( -1.753 -1.560 1.566) 2.821 24.723 ( -0.681 -4.574 -1.161) 4.768 24.933 ( 0.317 3.641 -0.587) 3.702 24.958 ( 1.234 1.806 -1.235) 2.512 25.669 ( -4.477 1.093 0.059) 4.609 25.725 ( -4.906 0.464 0.054) 4.928 26.031 ( -1.892 0.164 -0.164) 1.907 26.088 ( -4.600 -0.166 0.304) 4.613 28.345 ( -0.020 0.355 0.767) 0.845 28.364 ( 1.346 0.263 -0.070) 1.373 28.498 ( -1.190 0.154 0.698) 1.388 28.582 ( -1.905 -1.141 -1.176) 2.513 28.646 ( -0.909 -0.533 0.497) 1.165 28.693 ( -0.355 0.820 -1.227) 1.518 28.737 ( 1.553 -1.550 0.844) 2.351 28.886 ( 2.415 -1.713 -1.950) 3.545 32.352 ( 0.545 0.094 0.893) 1.050 32.419 ( 1.407 0.210 -0.961) 1.717 32.467 ( -0.603 -0.176 -1.462) 1.591 32.514 ( -2.171 0.547 0.327) 2.263 35.417 ( 1.284 0.143 -1.082) 1.685 35.469 ( -0.410 -0.823 0.758) 1.192 35.515 ( -0.655 0.755 1.465) 1.774 35.551 ( 0.830 0.940 -0.815) 1.496 88.862 ( -0.771 -1.070 3.221) 3.481 88.897 ( 1.947 -2.709 3.891) 5.125 89.031 ( 4.345 2.570 -0.272) 5.055 89.515 ( -1.515 -7.975 -1.598) 8.273 97.665 ( 1.205 -0.124 0.144) 1.220 97.681 ( 1.148 0.054 -0.402) 1.217 97.726 ( 1.867 -0.607 1.684) 2.586 97.906 ( 1.167 -4.442 1.040) 4.709 98.689 ( 0.548 0.208 0.118) 0.598 98.731 ( 0.748 0.390 -1.141) 1.419 98.799 ( -3.001 5.302 0.733) 6.137 98.821 ( -2.638 3.033 1.035) 4.150 99.595 ( -0.427 0.122 -0.426) 0.615 99.673 ( -0.481 2.167 -0.385) 2.253 99.769 ( 2.427 1.249 5.774) 6.387 100.275 ( 3.253 -4.387 -6.605) 8.571 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 11.880 3.145 -10.177) 15.956 1.543 ( -9.012 4.312 -7.962) 12.775 1.569 ( 13.369 4.741 -4.265) 14.812 1.644 ( -8.534 3.057 1.918) 9.266 1.947 ( 5.866 -0.045 -3.386) 6.773 1.966 ( -3.027 2.313 0.982) 3.934 2.071 ( 5.441 -1.519 -0.445) 5.666 2.208 ( -0.456 -2.340 0.404) 2.418 2.288 ( -0.681 -0.232 -2.270) 2.381 2.360 ( -3.141 -1.378 -4.913) 5.991 2.395 ( 1.051 3.325 0.634) 3.544 2.437 ( -2.180 2.288 -0.306) 3.175 2.533 ( -2.787 -0.263 -0.833) 2.920 2.618 ( 0.065 -1.445 0.320) 1.481 2.670 ( -3.447 1.325 0.533) 3.731 2.734 ( 1.660 -1.350 -5.485) 5.887 2.969 ( 5.856 -0.921 -1.338) 6.077 3.038 ( -3.642 -3.103 0.972) 4.882 3.136 ( -0.224 1.466 1.083) 1.836 3.211 ( -5.588 1.417 1.446) 5.943 3.281 ( 3.908 2.316 4.353) 6.292 3.320 ( -2.177 3.535 5.324) 6.751 3.529 ( -1.119 0.861 6.676) 6.823 3.597 ( 4.227 1.391 -0.154) 4.453 4.490 ( -4.227 -4.543 3.735) 7.242 4.519 ( 4.821 -3.414 -1.367) 6.064 4.585 ( -3.816 -0.912 3.761) 5.435 4.628 ( 0.719 -2.331 -1.789) 3.025 4.864 ( -3.107 -2.360 3.778) 5.431 4.897 ( 1.671 -4.939 -2.562) 5.809 4.980 ( -0.136 -0.540 1.623) 1.716 5.032 ( -2.643 1.473 -0.725) 3.111 5.224 ( -3.112 0.917 2.805) 4.289 5.293 ( 1.303 -2.139 -3.271) 4.120 5.369 ( 3.788 -1.521 4.356) 5.970 5.476 ( -2.310 -2.196 -0.909) 3.314 5.515 ( 1.219 -7.262 -0.996) 7.431 5.579 ( -1.850 -1.102 -1.578) 2.669 5.647 ( -6.833 -1.131 1.184) 7.026 5.735 ( -4.358 0.361 -0.329) 4.386 5.839 ( 2.134 3.976 2.326) 5.077 5.972 ( 1.003 2.536 1.435) 3.081 6.153 ( 0.962 -1.279 -1.330) 2.081 6.229 ( 3.201 1.100 -1.028) 3.537 6.357 ( -4.770 -0.419 5.123) 7.013 6.454 ( 0.556 3.651 1.518) 3.993 6.637 ( 5.305 -2.513 3.286) 6.727 6.724 ( -6.126 1.387 4.755) 7.878 6.803 ( -1.209 -1.771 5.442) 5.849 6.884 ( -0.569 -3.455 -4.434) 5.650 7.255 ( 2.216 0.369 -3.326) 4.014 7.285 ( 0.941 -2.266 -0.465) 2.498 7.456 ( -3.076 8.760 -3.408) 9.890 7.511 ( -2.020 2.807 -8.890) 9.538 7.916 ( -7.691 2.939 3.386) 8.903 8.001 ( -4.370 -0.182 -2.211) 4.901 8.095 ( -1.081 6.440 3.168) 7.258 8.401 ( 0.133 5.536 -13.592) 14.677 8.677 ( 1.892 -0.499 5.504) 5.842 8.731 ( 1.129 0.074 3.908) 4.069 8.958 ( -0.315 -1.471 1.525) 2.142 9.133 ( 2.323 2.082 -6.287) 7.019 9.238 ( -0.475 3.538 4.143) 5.468 9.321 ( 2.350 3.364 -1.754) 4.462 9.733 ( 4.919 0.074 0.672) 4.965 9.764 ( 1.311 -0.041 0.994) 1.646 9.878 ( 3.912 -3.478 -0.650) 5.275 9.922 ( 1.053 -2.167 -1.777) 2.994 10.471 ( -0.942 -0.797 1.310) 1.800 10.533 ( 0.486 -2.035 -2.446) 3.219 10.813 ( -1.951 -2.608 10.389) 10.888 11.126 ( 1.716 -6.687 -9.157) 11.468 20.508 ( 0.308 1.179 0.326) 1.261 20.521 ( -0.559 1.039 0.123) 1.186 20.799 ( -0.934 0.719 0.972) 1.527 20.828 ( -0.387 0.442 -0.944) 1.111 22.753 ( 1.186 0.892 2.530) 2.933 22.864 ( -1.099 0.436 -2.075) 2.388 23.040 ( 1.341 -0.833 2.813) 3.225 23.181 ( -0.643 -1.740 -3.596) 4.046 24.630 ( -1.111 -1.874 2.303) 3.170 24.699 ( -0.138 -4.107 -1.860) 4.511 24.931 ( -0.042 3.791 0.043) 3.791 24.962 ( 0.698 1.997 -1.453) 2.566 25.624 ( -1.041 1.331 0.477) 1.756 25.656 ( -2.774 0.869 -0.304) 2.922 26.010 ( -0.499 -0.050 0.123) 0.516 26.031 ( -2.002 0.028 -0.270) 2.020 28.354 ( -0.403 0.496 1.343) 1.487 28.381 ( 0.786 0.429 -0.464) 1.009 28.495 ( -0.186 -0.099 1.044) 1.065 28.541 ( -1.266 -0.726 -1.308) 1.960 28.632 ( -1.357 0.196 0.758) 1.567 28.671 ( 0.829 -0.325 -2.666) 2.811 28.787 ( 1.285 -1.021 2.994) 3.415 28.890 ( 0.937 -1.854 -2.595) 3.324 32.373 ( 0.906 -0.430 0.694) 1.220 32.410 ( -1.100 -1.183 -0.606) 1.725 32.469 ( 1.810 1.173 -0.887) 2.332 32.482 ( -1.748 1.291 0.017) 2.173 35.433 ( 1.437 -0.001 -0.317) 1.472 35.456 ( -1.544 -0.217 0.125) 1.564 35.522 ( -0.599 0.644 1.606) 1.831 35.556 ( 1.003 0.468 -1.237) 1.660 88.885 ( -1.081 -1.121 3.693) 4.008 88.955 ( 1.893 -3.542 0.257) 4.025 89.109 ( 2.817 2.000 4.556) 5.718 89.415 ( -4.303 -4.563 -6.322) 8.905 97.679 ( 0.299 0.057 0.229) 0.381 97.691 ( 0.553 0.183 -0.499) 0.767 97.784 ( 2.188 -1.499 2.646) 3.747 97.897 ( -1.780 -3.479 -1.194) 4.086 98.703 ( 0.588 0.677 0.499) 1.026 98.733 ( 0.372 0.994 -0.929) 1.411 98.770 ( -0.334 3.552 0.163) 3.571 98.788 ( -2.217 2.562 0.534) 3.430 99.602 ( 0.828 0.578 0.687) 1.221 99.652 ( -0.988 2.357 -1.014) 2.749 99.895 ( 2.100 -0.722 9.550) 9.805 100.232 ( 1.434 -4.058 -8.873) 9.861 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -13.488 4.466 -3.691) 14.680 1.451 ( -0.457 5.035 -0.828) 5.123 1.495 ( -3.421 2.343 0.281) 4.156 1.730 ( 10.383 2.580 -4.589) 11.641 1.926 ( -1.521 0.596 -0.975) 1.902 1.993 ( 3.814 -0.678 -2.516) 4.619 2.108 ( -4.999 -0.194 -3.634) 6.184 2.186 ( 6.034 -1.797 1.258) 6.420 2.239 ( -5.434 -0.736 4.340) 6.993 2.327 ( -0.313 2.076 -3.475) 4.060 2.393 ( -2.569 3.334 -1.299) 4.404 2.423 ( 3.696 1.823 1.611) 4.425 2.565 ( 1.485 -0.719 3.992) 4.320 2.579 ( -4.397 -1.447 -0.897) 4.715 2.627 ( -2.281 -0.494 2.584) 3.482 2.735 ( 3.805 0.245 -3.767) 5.360 2.908 ( -9.684 0.185 1.738) 9.840 3.055 ( 2.630 -2.652 1.094) 3.892 3.153 ( -1.788 0.075 0.509) 1.861 3.200 ( 5.066 1.053 0.574) 5.206 3.314 ( -2.349 2.110 1.440) 3.470 3.374 ( 3.062 3.892 1.211) 5.098 3.552 ( -1.674 1.901 2.612) 3.638 3.665 ( 5.772 0.594 -3.700) 6.881 4.455 ( -5.073 -2.952 3.929) 7.063 4.553 ( -4.138 -2.331 3.598) 5.959 4.562 ( 3.738 -4.626 -2.492) 6.448 4.660 ( 3.288 -1.476 -1.204) 3.800 4.811 ( -4.806 -4.945 3.379) 7.679 4.943 ( 4.005 -4.317 -2.144) 6.267 5.000 ( -0.333 2.217 0.572) 2.314 5.042 ( 7.256 0.308 -1.717) 7.463 5.203 ( -3.572 1.210 3.485) 5.135 5.322 ( 6.192 -1.881 -4.418) 7.836 5.427 ( -1.697 -1.969 0.135) 2.603 5.469 ( 3.568 -3.452 1.486) 5.182 5.508 ( -2.504 -2.796 -3.164) 4.909 5.536 ( 3.243 -2.886 0.834) 4.421 5.673 ( 2.766 -0.122 4.837) 5.573 5.688 ( 0.461 0.527 -0.495) 0.858 5.863 ( -6.745 1.947 0.573) 7.044 5.992 ( 5.754 1.905 -1.739) 6.306 6.148 ( -4.450 -0.949 1.345) 4.744 6.229 ( 2.598 3.365 -2.210) 4.791 6.399 ( 0.156 1.129 4.627) 4.765 6.452 ( 1.969 -0.021 -1.376) 2.402 6.684 ( -3.835 -2.684 1.777) 5.007 6.760 ( 2.876 2.087 5.323) 6.400 6.838 ( 4.092 -3.675 -1.828) 5.796 6.870 ( 5.321 -5.022 -4.342) 8.508 7.258 ( -2.022 -2.650 -2.977) 4.470 7.297 ( 3.045 -3.078 -1.570) 4.606 7.380 ( -2.367 8.182 1.736) 8.693 7.428 ( 0.259 8.472 -2.244) 8.768 7.903 ( -0.979 1.672 5.741) 6.059 7.964 ( 2.270 1.829 0.395) 2.942 8.138 ( 0.053 6.310 5.889) 8.631 8.310 ( 6.030 7.787 -12.753) 16.114 8.737 ( -0.188 -2.474 2.859) 3.785 8.757 ( -0.349 -1.941 -0.888) 2.163 8.977 ( -2.422 1.774 6.005) 6.714 9.073 ( 0.040 3.469 -7.579) 8.335 9.257 ( -2.324 1.744 3.495) 4.545 9.331 ( 1.758 2.392 -2.834) 4.104 9.730 ( -4.398 -1.634 0.926) 4.782 9.785 ( -2.703 -0.853 1.220) 3.086 9.827 ( -5.044 0.739 -1.216) 5.241 9.973 ( 5.214 -3.788 -3.456) 7.312 10.456 ( -3.511 -1.346 3.292) 4.998 10.523 ( 1.073 -0.724 -2.243) 2.590 10.893 ( -2.342 -4.192 11.401) 12.371 11.040 ( 0.489 -5.114 -9.836) 11.096 20.512 ( -0.309 0.955 0.082) 1.008 20.524 ( 1.047 1.332 -0.128) 1.699 20.806 ( 0.361 0.696 1.053) 1.313 20.821 ( 0.812 0.437 -0.970) 1.338 22.806 ( 0.813 0.809 2.161) 2.447 22.814 ( -1.020 0.939 -1.933) 2.379 23.098 ( 0.849 -1.499 3.225) 3.656 23.119 ( -1.248 -1.438 -3.650) 4.117 24.644 ( -0.487 -2.225 2.788) 3.600 24.681 ( 0.502 -3.322 -2.102) 3.963 24.930 ( -0.886 2.993 0.970) 3.268 24.951 ( 0.038 2.484 -1.390) 2.846 25.633 ( 0.858 1.025 -0.126) 1.342 25.648 ( 2.838 1.255 0.245) 3.113 26.015 ( 0.323 0.105 -0.257) 0.425 26.021 ( 1.505 0.169 0.513) 1.600 28.355 ( -1.399 0.351 1.538) 2.108 28.376 ( -0.851 0.476 -0.306) 1.022 28.507 ( 0.042 -0.521 0.352) 0.630 28.526 ( 1.186 0.162 -0.200) 1.214 28.619 ( -1.218 0.161 1.027) 1.602 28.672 ( 2.335 -0.532 -2.170) 3.232 28.828 ( -0.351 -1.182 2.325) 2.631 28.866 ( 0.328 -2.022 -3.298) 3.883 32.382 ( -1.535 -0.943 0.195) 1.812 32.396 ( 0.749 -0.735 0.349) 1.106 32.453 ( -1.637 1.828 0.148) 2.458 32.498 ( 2.541 0.752 -1.030) 2.844 35.426 ( -2.093 0.209 0.281) 2.122 35.455 ( 1.029 -0.439 0.201) 1.136 35.527 ( -0.643 1.016 1.300) 1.770 35.557 ( 0.835 0.191 -1.427) 1.664 88.899 ( -2.142 -1.386 3.630) 4.437 88.962 ( 0.799 -2.403 -2.643) 3.660 89.225 ( 1.414 -1.834 8.988) 9.282 89.268 ( -3.499 -1.529 -6.909) 7.894 97.681 ( -0.503 0.168 0.374) 0.649 97.688 ( -0.255 0.187 -0.490) 0.583 97.836 ( -2.734 -2.255 -1.673) 3.919 97.849 ( 1.527 -2.870 2.687) 4.218 98.713 ( -0.583 0.945 0.839) 1.392 98.717 ( -0.764 0.859 -0.735) 1.365 98.770 ( 0.327 3.379 0.131) 3.398 98.796 ( 2.754 2.855 -0.175) 3.971 99.619 ( -0.970 1.676 -0.366) 1.971 99.635 ( 1.325 1.463 0.139) 1.979 100.021 ( 0.342 -2.087 9.887) 10.110 100.134 ( -0.320 -3.652 -11.426) 12.000 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -15.249 5.795 4.853) 17.019 1.249 ( -17.606 6.333 5.512) 19.505 1.629 ( 7.682 3.652 2.776) 8.947 1.782 ( 1.947 -1.414 -3.945) 4.621 1.907 ( 1.853 2.096 -3.541) 4.513 1.991 ( -3.196 -1.196 -0.801) 3.505 2.051 ( 1.767 2.566 -2.668) 4.101 2.184 ( -6.361 -0.060 5.466) 8.387 2.238 ( -9.170 2.473 0.748) 9.527 2.276 ( 0.724 -0.820 1.975) 2.258 2.372 ( -2.101 3.260 2.415) 4.569 2.490 ( 1.049 -1.269 2.919) 3.352 2.493 ( 0.779 -0.311 1.319) 1.563 2.641 ( 2.629 -1.002 1.658) 3.266 2.664 ( 2.476 -0.586 3.060) 3.980 2.754 ( 1.638 2.553 -1.298) 3.299 2.831 ( 0.454 1.511 -0.293) 1.604 3.095 ( 1.205 -3.402 0.486) 3.642 3.165 ( 1.567 -0.582 1.236) 2.080 3.258 ( -0.638 0.697 -1.122) 1.467 3.295 ( 2.425 0.065 -1.102) 2.664 3.393 ( -0.547 2.052 -2.129) 3.007 3.536 ( -0.218 2.978 -2.663) 4.001 3.690 ( 2.883 0.452 -5.712) 6.414 4.406 ( -4.304 -2.484 2.505) 5.565 4.524 ( -3.069 -2.801 1.801) 4.529 4.613 ( 2.562 -4.864 -0.472) 5.518 4.688 ( 4.469 -1.026 -1.159) 4.730 4.802 ( -0.378 -4.623 1.655) 4.925 4.992 ( 1.289 -1.050 -0.683) 1.797 5.004 ( 2.091 -0.822 1.567) 2.740 5.162 ( 8.811 -0.280 -2.640) 9.202 5.238 ( 4.094 1.211 3.542) 5.547 5.350 ( 2.509 -1.412 -5.331) 6.059 5.369 ( -1.917 -0.417 -6.810) 7.087 5.447 ( -2.499 -3.613 0.536) 4.425 5.525 ( 1.165 -5.460 0.903) 5.655 5.635 ( 7.017 -1.396 0.593) 7.179 5.730 ( 3.415 -0.368 3.118) 4.638 5.802 ( 2.399 1.338 4.431) 5.213 5.836 ( 7.434 2.265 2.690) 8.224 5.992 ( -2.170 -0.192 -4.314) 4.833 6.106 ( -1.432 1.099 1.906) 2.625 6.189 ( -3.388 5.090 -2.902) 6.768 6.423 ( -1.648 4.260 0.939) 4.663 6.496 ( 1.674 0.038 -0.408) 1.724 6.617 ( -0.200 -2.666 -7.220) 7.699 6.852 ( 3.540 0.317 1.398) 3.819 6.902 ( 7.002 -1.155 -2.629) 7.568 6.949 ( 6.287 -6.236 -4.309) 9.848 7.229 ( 3.076 4.710 -0.134) 5.627 7.281 ( -0.274 -2.686 -3.005) 4.040 7.432 ( 2.704 -1.775 7.850) 8.490 7.470 ( 1.201 6.907 4.435) 8.296 7.971 ( 2.588 -2.236 2.841) 4.446 8.076 ( 6.559 2.863 3.885) 8.144 8.228 ( 3.263 5.478 7.704) 10.000 8.357 ( 11.475 8.691 -4.273) 15.016 8.700 ( -1.636 -2.315 -4.241) 5.101 8.738 ( -1.743 -2.080 -1.770) 3.239 8.961 ( -3.684 1.517 0.352) 4.000 9.022 ( -2.473 4.230 2.271) 5.401 9.234 ( -2.857 0.186 0.609) 2.927 9.319 ( 1.018 3.329 -3.813) 5.163 9.594 ( -11.816 1.295 -1.371) 11.966 9.684 ( -8.638 -3.788 3.972) 10.234 9.778 ( -1.387 3.054 -2.629) 4.262 9.976 ( -0.003 -3.539 -3.906) 5.271 10.430 ( -4.009 -3.274 3.393) 6.189 10.511 ( -1.164 1.251 -0.332) 1.740 10.939 ( -0.628 -5.019 -7.271) 8.857 10.972 ( -2.674 -6.637 9.155) 11.620 20.510 ( 0.351 1.054 -0.212) 1.131 20.543 ( 1.675 2.119 -0.582) 2.763 20.829 ( 1.347 0.756 0.277) 1.569 20.836 ( 1.730 0.892 -0.137) 1.951 22.759 ( -1.306 0.738 -2.171) 2.639 22.856 ( 0.750 0.403 2.145) 2.307 23.052 ( -1.195 -0.752 -3.051) 3.362 23.150 ( 0.128 -1.262 2.979) 3.238 24.667 ( 0.427 -2.530 0.350) 2.589 24.677 ( 0.524 -2.550 0.985) 2.783 24.921 ( -1.224 2.249 0.978) 2.741 24.939 ( -0.490 2.516 -0.281) 2.578 25.673 ( 4.178 0.955 -0.285) 4.295 25.721 ( 5.040 0.709 0.337) 5.101 26.031 ( 1.715 0.449 -0.168) 1.781 26.077 ( 4.257 0.624 1.200) 4.467 28.343 ( -1.739 0.069 1.252) 2.144 28.353 ( -1.795 0.347 0.537) 1.906 28.515 ( 1.597 0.082 -0.982) 1.876 28.559 ( 1.359 0.055 1.479) 2.009 28.618 ( -0.464 -0.354 1.511) 1.619 28.696 ( 2.659 -0.668 -1.504) 3.127 28.799 ( -1.770 -2.502 -3.198) 4.429 28.853 ( -0.952 -0.923 0.457) 1.402 32.360 ( -1.390 -0.536 0.451) 1.557 32.405 ( -0.400 0.030 0.146) 0.427 32.436 ( -0.441 1.320 0.698) 1.557 32.531 ( 2.568 0.123 -0.908) 2.727 35.396 ( -1.987 0.456 0.714) 2.160 35.467 ( -0.228 -1.010 0.679) 1.238 35.535 ( 0.445 1.597 0.792) 1.837 35.551 ( 0.359 0.246 -1.584) 1.643 88.888 ( -3.032 -1.755 2.589) 4.356 88.938 ( -0.014 -1.436 -2.645) 3.009 89.118 ( -3.781 0.072 -6.771) 7.755 89.380 ( 1.956 -7.695 10.921) 13.502 97.670 ( -1.138 0.090 0.123) 1.149 97.674 ( -0.834 0.118 -0.171) 0.860 97.766 ( -2.820 -1.149 -1.907) 3.593 97.896 ( 0.107 -5.369 2.257) 5.825 98.696 ( -0.941 0.285 -0.410) 1.065 98.706 ( -0.890 0.636 0.829) 1.372 98.805 ( 3.376 5.234 0.159) 6.231 98.846 ( 3.787 4.374 -0.885) 5.853 99.596 ( -0.624 1.024 -0.455) 1.282 99.665 ( 1.442 1.853 0.333) 2.372 99.977 ( -2.897 -2.359 -12.961) 13.488 100.109 ( -1.611 -2.886 8.405) 9.031 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -11.237 8.808 15.353) 20.966 1.037 ( -16.112 11.000 9.174) 21.558 1.661 ( -3.841 -0.909 -4.884) 6.280 1.772 ( -2.309 2.776 -4.107) 5.468 1.886 ( -0.307 3.763 -3.649) 5.251 1.936 ( -17.059 10.249 12.659) 23.586 1.978 ( 0.598 -2.469 4.828) 5.455 2.122 ( 0.699 -1.191 1.685) 2.179 2.201 ( 1.212 -2.253 0.630) 2.634 2.322 ( 2.363 -2.662 1.904) 4.037 2.376 ( -0.609 0.011 3.363) 3.418 2.557 ( 2.220 -0.012 3.276) 3.957 2.584 ( 3.903 0.061 4.089) 5.653 2.684 ( 1.727 -2.894 1.469) 3.676 2.736 ( 2.880 2.337 -0.161) 3.712 2.793 ( 0.746 2.495 5.001) 5.639 2.864 ( 4.087 3.134 -2.548) 5.746 3.123 ( 2.027 -2.841 -0.195) 3.496 3.188 ( -1.063 -1.234 -5.263) 5.509 3.195 ( 0.442 -2.048 -2.052) 2.933 3.299 ( -1.531 0.525 -6.389) 6.590 3.357 ( 1.176 0.352 0.682) 1.404 3.481 ( -1.081 4.261 -5.982) 7.423 3.635 ( -0.818 0.142 -7.658) 7.703 4.376 ( -1.669 -3.488 0.899) 3.970 4.486 ( -2.409 0.517 0.163) 2.469 4.641 ( 1.914 -5.823 0.698) 6.169 4.789 ( 3.669 -4.488 -0.328) 5.806 4.820 ( 3.381 -2.154 1.188) 4.182 4.978 ( -0.308 2.033 0.033) 2.057 5.100 ( 5.026 -0.834 0.990) 5.190 5.198 ( -2.687 -0.716 -5.116) 5.823 5.273 ( 5.646 0.110 -4.600) 7.284 5.341 ( 2.098 0.449 0.120) 2.149 5.412 ( 3.466 1.353 -0.204) 3.726 5.437 ( 4.916 -5.674 3.695) 8.367 5.544 ( 0.040 -5.254 0.913) 5.333 5.752 ( 7.754 -2.838 -1.866) 8.466 5.827 ( -2.265 -1.507 4.678) 5.412 5.844 ( -4.609 0.734 -4.635) 6.578 5.925 ( 8.711 -0.623 4.626) 9.883 6.046 ( 6.220 1.031 0.761) 6.351 6.113 ( -0.936 3.190 -0.092) 3.326 6.145 ( 3.380 6.990 3.738) 8.617 6.365 ( -3.700 3.165 -2.538) 5.490 6.476 ( -1.360 -0.869 -1.315) 2.082 6.537 ( 0.945 1.430 -8.869) 9.033 6.853 ( 2.667 3.358 -7.259) 8.431 6.975 ( 3.760 -1.999 -3.918) 5.787 7.040 ( 7.173 -2.877 2.443) 8.106 7.213 ( -2.797 0.956 -2.018) 3.579 7.318 ( 4.322 4.667 -1.554) 6.548 7.509 ( 1.207 2.665 4.078) 5.019 7.716 ( 13.941 -5.850 14.144) 20.703 8.029 ( 1.020 -1.457 3.569) 3.988 8.198 ( 5.421 1.836 -0.053) 5.723 8.413 ( 7.188 0.120 3.054) 7.810 8.572 ( 7.860 2.867 6.957) 10.881 8.646 ( 5.460 0.700 -4.966) 7.413 8.673 ( -1.464 -1.345 -0.641) 2.089 8.903 ( -4.277 -0.286 0.546) 4.322 9.000 ( -4.325 4.923 4.409) 7.898 9.187 ( -1.916 -1.006 -1.792) 2.810 9.284 ( -0.012 5.219 -5.061) 7.270 9.367 ( -11.814 3.410 -1.403) 12.376 9.574 ( -8.279 -1.847 0.917) 8.532 9.712 ( -3.857 1.792 -0.855) 4.339 9.908 ( -1.689 -1.754 -5.257) 5.793 10.382 ( -4.953 -2.382 1.151) 5.615 10.470 ( -5.467 -0.498 2.606) 6.077 10.857 ( 0.599 -4.318 -6.660) 7.960 10.993 ( -6.349 -10.259 6.693) 13.796 20.519 ( 0.835 1.339 -0.206) 1.591 20.567 ( 2.562 3.214 -1.796) 4.485 20.856 ( 1.755 0.946 0.028) 1.994 20.868 ( 1.841 1.560 0.159) 2.419 22.728 ( -0.272 0.657 -0.920) 1.163 22.872 ( -0.478 -0.495 0.607) 0.918 23.020 ( 0.179 0.488 -1.449) 1.540 23.164 ( -1.413 -0.959 1.497) 2.271 24.673 ( 1.185 -1.826 -0.946) 2.373 24.711 ( 0.482 -3.464 2.787) 4.472 24.913 ( -1.296 1.788 1.267) 2.546 24.933 ( -0.038 2.226 0.445) 2.271 25.756 ( 5.640 0.663 -0.007) 5.679 25.807 ( 4.599 0.201 0.053) 4.604 26.064 ( 2.080 0.842 0.247) 2.257 26.185 ( 7.011 0.152 0.440) 7.026 28.330 ( -1.335 -0.030 1.286) 1.854 28.341 ( -0.281 -0.147 1.423) 1.458 28.538 ( 2.496 0.405 -1.291) 2.840 28.596 ( 0.833 -0.169 1.934) 2.112 28.633 ( -0.243 -0.622 1.829) 1.947 28.708 ( -2.026 -3.107 -1.226) 3.906 28.739 ( 1.178 -0.350 -2.756) 3.017 28.824 ( -3.071 -0.839 0.360) 3.204 32.346 ( -1.115 0.043 0.794) 1.369 32.389 ( -0.781 1.190 -0.669) 1.573 32.457 ( 0.858 -0.207 2.361) 2.521 32.562 ( 2.246 -0.424 -0.880) 2.449 35.378 ( -1.449 0.528 1.427) 2.101 35.466 ( -0.621 -0.904 0.698) 1.300 35.535 ( -0.239 0.811 -1.550) 1.765 35.557 ( 1.542 1.095 -0.302) 1.915 88.857 ( -2.966 -1.747 1.215) 3.650 88.911 ( -0.441 -0.809 -1.793) 2.016 89.004 ( -1.663 0.502 -5.419) 5.691 89.472 ( -3.597 -15.072 5.134) 16.324 97.647 ( -1.330 -0.128 -0.391) 1.392 97.658 ( -1.067 0.125 0.097) 1.079 97.710 ( -1.768 -0.548 -1.138) 2.172 97.877 ( -4.033 -6.821 -0.807) 7.965 98.682 ( -0.343 0.046 0.016) 0.347 98.705 ( -0.654 0.380 1.258) 1.468 98.864 ( 2.934 3.816 -0.557) 4.846 98.909 ( 6.523 9.423 -3.399) 11.954 99.596 ( 0.575 0.933 0.903) 1.420 99.685 ( 1.057 1.660 -0.367) 2.002 99.792 ( -3.978 0.512 -7.846) 8.812 100.142 ( -3.920 -3.366 6.194) 8.066 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -7.496 13.971 13.994) 21.148 0.975 ( -7.184 10.910 17.245) 21.634 1.533 ( -0.364 2.431 -10.426) 10.712 1.574 ( -11.554 5.487 -1.633) 12.894 1.745 ( -10.164 8.084 6.115) 14.354 1.977 ( 2.532 1.445 3.288) 4.394 2.066 ( 1.377 -4.175 5.575) 7.100 2.218 ( 3.367 -2.898 7.455) 8.678 2.228 ( -0.112 -2.899 2.550) 3.862 2.402 ( 0.156 -1.936 4.574) 4.970 2.415 ( 3.355 -0.740 3.995) 5.269 2.591 ( 0.708 -2.096 -0.772) 2.344 2.673 ( 1.411 -0.597 2.390) 2.839 2.737 ( -1.089 6.008 0.298) 6.113 2.773 ( 1.863 -2.293 6.315) 6.972 2.861 ( 2.540 1.246 1.998) 3.464 2.891 ( 3.008 4.311 -3.121) 6.114 3.061 ( -1.158 -1.442 -12.306) 12.444 3.148 ( 1.575 -2.552 -2.266) 3.759 3.172 ( -1.334 -2.439 -6.216) 6.809 3.216 ( 0.700 0.326 -1.687) 1.856 3.358 ( -3.719 2.410 -2.308) 4.996 3.405 ( 1.413 3.728 -4.004) 5.651 3.518 ( -2.546 0.075 -7.526) 7.945 4.368 ( 0.387 -2.920 -0.111) 2.947 4.442 ( -2.022 2.178 -1.955) 3.557 4.695 ( 1.301 -7.499 3.374) 8.325 4.795 ( -0.782 -4.749 1.783) 5.132 4.903 ( 3.153 -1.769 -0.248) 3.624 4.985 ( 1.548 2.993 -1.843) 3.841 5.111 ( 0.472 0.060 -1.164) 1.258 5.240 ( 6.543 2.261 3.055) 7.567 5.294 ( 2.000 -0.931 -5.460) 5.889 5.382 ( 1.348 0.481 5.270) 5.461 5.468 ( 2.557 1.865 1.050) 3.335 5.545 ( -1.418 -4.114 2.548) 5.043 5.578 ( 3.921 -6.816 1.061) 7.935 5.705 ( -3.575 -1.724 -1.560) 4.264 5.798 ( -2.741 -5.441 -1.289) 6.228 5.855 ( 5.175 -1.350 -2.400) 5.862 6.033 ( 0.241 2.964 -0.006) 2.974 6.085 ( -0.193 3.192 -1.267) 3.440 6.127 ( 2.425 1.345 1.330) 3.075 6.257 ( -3.411 2.455 -4.649) 6.267 6.319 ( 7.879 2.710 2.508) 8.701 6.451 ( 0.732 1.195 -6.011) 6.173 6.498 ( 2.160 3.838 1.648) 4.702 6.825 ( 2.181 6.110 -7.087) 9.608 7.034 ( 6.769 -3.333 0.252) 7.550 7.130 ( -1.051 0.780 0.810) 1.539 7.145 ( -0.286 0.291 -0.559) 0.692 7.334 ( -0.366 4.195 -2.187) 4.745 7.642 ( 8.512 0.496 5.994) 10.422 8.077 ( 5.701 -4.097 11.674) 13.622 8.101 ( 1.838 -0.270 5.944) 6.227 8.265 ( 6.203 -1.436 -1.521) 6.547 8.399 ( 1.071 -1.325 -7.157) 7.357 8.607 ( 0.584 -3.603 -2.517) 4.434 8.718 ( -2.320 -2.848 3.787) 5.276 8.840 ( 2.257 -0.282 4.772) 5.286 8.858 ( -1.465 -0.011 6.961) 7.113 9.011 ( -0.211 5.997 7.310) 9.457 9.097 ( -5.846 1.428 -3.904) 7.174 9.197 ( 2.363 2.227 -5.385) 6.288 9.274 ( 0.777 3.421 -4.332) 5.575 9.438 ( -4.290 -0.188 -4.918) 6.529 9.651 ( -4.977 -0.293 3.590) 6.144 9.832 ( 1.003 1.152 -6.981) 7.146 10.302 ( -3.351 0.746 -1.291) 3.668 10.376 ( -9.723 -4.698 3.452) 11.337 10.828 ( 2.618 -4.252 -3.949) 6.366 10.899 ( -9.915 -7.630 3.254) 12.927 20.530 ( 0.533 1.496 0.073) 1.590 20.581 ( 2.094 3.557 -3.177) 5.209 20.883 ( 0.880 1.262 0.605) 1.653 20.895 ( 1.588 2.005 -0.456) 2.598 22.734 ( 1.246 0.857 0.602) 1.628 22.857 ( -1.425 -0.376 -0.554) 1.574 23.023 ( 1.363 0.645 -0.215) 1.523 23.137 ( -2.495 -0.621 -0.185) 2.578 24.689 ( 1.431 -1.781 -0.001) 2.284 24.739 ( 0.000 -4.180 1.065) 4.314 24.908 ( -0.871 1.613 1.539) 2.393 24.944 ( 0.560 1.606 0.250) 1.720 25.843 ( 4.260 0.347 0.200) 4.279 25.868 ( 2.652 0.288 -0.021) 2.667 26.104 ( 1.796 0.834 1.320) 2.380 26.269 ( 3.573 -1.226 -3.549) 5.183 28.332 ( -0.703 -0.300 2.316) 2.439 28.382 ( 3.641 -1.412 0.179) 3.909 28.566 ( 2.306 0.391 -1.461) 2.758 28.606 ( -3.431 0.126 -0.482) 3.467 28.632 ( 1.034 -0.847 1.906) 2.328 28.674 ( -1.574 -1.944 3.682) 4.452 28.749 ( -1.007 -1.303 0.161) 1.654 28.770 ( -0.849 -0.732 -2.109) 2.389 32.339 ( -1.190 0.689 1.371) 1.942 32.373 ( 0.298 1.174 -1.314) 1.788 32.508 ( 1.516 -1.614 2.710) 3.500 32.583 ( 1.403 -0.882 -1.052) 1.963 35.379 ( -0.764 0.441 2.195) 2.366 35.464 ( -0.050 -0.763 -0.090) 0.770 35.513 ( -0.466 1.240 -1.013) 1.668 35.568 ( 0.788 0.573 -1.839) 2.081 88.823 ( -2.166 -1.137 0.630) 2.526 88.871 ( -1.892 0.456 -1.881) 2.706 88.979 ( 4.443 -1.376 -3.270) 5.686 89.316 ( -16.633 -13.189 -0.839) 21.245 97.624 ( -0.694 -0.021 -0.463) 0.835 97.641 ( -0.996 0.118 -0.181) 1.019 97.685 ( -0.279 -0.450 -0.487) 0.719 97.761 ( -6.676 -2.960 -1.314) 7.420 98.687 ( 0.387 -0.365 0.622) 0.819 98.709 ( -0.598 0.227 1.245) 1.400 98.886 ( 0.964 3.788 -1.070) 4.052 98.946 ( 3.677 9.784 -6.693) 12.411 99.621 ( 0.052 1.149 1.400) 1.811 99.696 ( 0.426 2.252 -1.491) 2.734 99.781 ( 8.146 -0.594 2.939) 8.680 100.107 ( -6.659 -3.432 3.615) 8.318 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.886 14.320 10.778) 19.581 1.354 ( 2.914 14.524 8.475) 17.067 1.586 ( 3.214 9.063 -7.802) 12.383 1.615 ( 2.300 11.035 -7.736) 13.672 1.867 ( -4.029 -1.984 5.819) 7.351 1.922 ( 1.080 -7.178 -0.829) 7.306 2.050 ( 0.539 -5.245 7.567) 9.223 2.153 ( -0.056 -5.130 2.149) 5.563 2.237 ( 5.037 -3.066 6.986) 9.141 2.415 ( -3.584 2.279 -1.670) 4.564 2.551 ( -2.458 -2.450 4.142) 5.404 2.568 ( -0.395 -0.426 0.336) 0.672 2.663 ( 2.409 3.127 5.893) 7.093 2.713 ( -3.272 -0.976 -0.044) 3.415 2.823 ( -0.202 -2.450 -1.805) 3.049 2.894 ( 0.932 -3.109 -4.845) 5.832 2.924 ( -0.968 2.199 -2.041) 3.153 3.026 ( 5.446 4.006 -5.482) 8.704 3.051 ( 0.378 -2.641 5.259) 5.897 3.136 ( 3.435 0.028 -0.914) 3.555 3.231 ( -3.974 3.183 -6.057) 7.913 3.303 ( -0.972 0.576 -7.104) 7.193 3.420 ( -3.003 2.192 1.305) 3.940 3.476 ( 1.054 1.134 -2.633) 3.055 4.360 ( 1.708 -0.209 1.936) 2.591 4.424 ( -1.037 1.497 -4.148) 4.530 4.558 ( 0.220 -7.036 4.703) 8.466 4.653 ( -0.940 -7.056 -3.243) 7.823 5.009 ( 2.726 4.851 1.296) 5.713 5.045 ( -0.781 3.881 -1.905) 4.393 5.146 ( 1.016 0.696 2.027) 2.372 5.213 ( -1.881 -0.490 -4.251) 4.674 5.375 ( -6.134 -2.635 6.467) 9.295 5.446 ( -3.015 1.036 5.313) 6.196 5.454 ( 0.310 -2.448 1.045) 2.679 5.509 ( 2.603 -3.519 -0.177) 4.380 5.556 ( 3.676 -0.083 2.053) 4.211 5.628 ( -1.162 -2.216 -3.379) 4.204 5.702 ( 2.920 -0.054 1.943) 3.508 5.812 ( 0.298 -2.430 -6.631) 7.069 6.072 ( 2.178 0.857 0.655) 2.431 6.114 ( -1.347 1.402 -1.366) 2.376 6.195 ( 0.723 0.553 -0.743) 1.175 6.201 ( -0.207 0.746 -1.468) 1.659 6.407 ( -1.620 2.928 1.860) 3.828 6.490 ( -1.144 8.702 -5.942) 10.599 6.673 ( 5.883 -2.259 8.862) 10.875 6.859 ( -6.561 2.078 -8.682) 11.079 7.087 ( 1.511 -1.232 2.283) 3.002 7.116 ( 3.669 -3.492 0.508) 5.091 7.215 ( 1.738 3.150 0.775) 3.680 7.286 ( -6.228 0.775 -4.539) 7.745 7.894 ( 8.647 3.540 5.614) 10.900 7.992 ( -9.314 2.165 -2.927) 10.000 8.194 ( -1.129 -2.579 4.158) 5.021 8.299 ( -3.369 -3.593 -3.787) 6.212 8.384 ( 7.773 -1.087 9.949) 12.672 8.596 ( -6.809 4.250 -7.031) 10.670 8.655 ( 11.253 -5.021 6.167) 13.779 8.781 ( -10.136 -0.283 -2.058) 10.347 8.895 ( -1.949 -0.375 7.533) 7.790 9.027 ( 4.643 -4.243 -3.078) 7.003 9.119 ( -2.528 1.282 0.714) 2.923 9.173 ( -2.539 -2.474 -2.319) 4.236 9.288 ( 2.593 4.506 2.993) 5.999 9.390 ( 1.210 2.320 -3.418) 4.305 9.619 ( -0.680 -0.884 2.901) 3.108 9.743 ( 0.600 -4.722 -6.195) 7.813 10.297 ( 0.451 3.926 0.086) 3.953 10.326 ( 1.803 2.874 -2.234) 4.062 10.689 ( -4.479 -4.104 3.336) 6.930 10.754 ( 4.102 -5.970 -2.513) 7.667 20.578 ( -0.110 1.889 0.514) 1.960 20.611 ( 0.214 0.912 -2.640) 2.801 20.930 ( -0.255 1.600 0.600) 1.728 20.945 ( 0.259 1.207 -0.683) 1.411 22.800 ( 1.780 1.060 1.069) 2.331 22.822 ( -1.224 0.191 -0.860) 1.508 23.062 ( 1.543 0.110 0.305) 1.576 23.076 ( -1.797 -0.450 -0.930) 2.073 24.669 ( 0.088 -1.746 0.292) 1.772 24.669 ( -0.443 -1.920 0.325) 1.997 24.948 ( -0.206 1.160 1.357) 1.797 24.966 ( 0.291 0.346 -0.084) 0.460 25.898 ( 0.577 0.605 -0.013) 0.836 25.901 ( -0.204 0.587 -0.196) 0.651 26.154 ( -0.077 0.437 1.698) 1.755 26.206 ( -0.711 -1.573 -3.024) 3.482 28.338 ( -0.753 -0.322 2.323) 2.463 28.369 ( 0.064 -1.768 -0.092) 1.771 28.576 ( -2.097 1.259 1.828) 3.053 28.619 ( 1.788 0.488 -1.131) 2.171 28.649 ( 1.100 -0.888 1.620) 2.150 28.666 ( 0.796 -0.926 1.603) 2.015 28.672 ( -2.064 -0.795 -0.487) 2.264 28.729 ( 1.546 -2.018 -3.239) 4.117 32.366 ( -0.908 1.736 1.579) 2.517 32.397 ( 0.914 1.130 -1.103) 1.824 32.508 ( -0.022 -1.434 1.754) 2.265 32.545 ( 0.220 -2.066 -1.544) 2.588 35.406 ( -0.146 0.525 1.808) 1.889 35.438 ( 0.022 -0.839 -0.910) 1.238 35.537 ( 0.038 1.192 0.172) 1.205 35.558 ( -0.223 0.229 -1.439) 1.474 88.797 ( -2.875 0.622 2.551) 3.893 88.844 ( 0.417 -0.310 -1.066) 1.186 88.949 ( -5.589 -1.993 3.021) 6.659 89.013 ( 5.292 -3.385 -2.330) 6.700 97.625 ( -0.467 0.635 0.204) 0.814 97.634 ( 0.514 0.529 -0.574) 0.935 97.667 ( -1.509 -0.728 0.397) 1.722 97.676 ( 1.146 -0.832 -0.326) 1.453 98.708 ( 0.284 0.640 0.881) 1.125 98.715 ( -0.198 0.411 0.357) 0.579 98.980 ( -0.262 4.056 -0.012) 4.064 99.029 ( -0.317 2.860 -4.723) 5.530 99.689 ( 0.959 3.170 1.691) 3.718 99.726 ( -0.951 2.602 -1.618) 3.209 99.905 ( 5.246 -4.389 1.651) 7.036 99.926 ( -3.279 -4.049 -0.347) 5.222 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -2.184 11.891 9.318) 15.264 1.526 ( 4.017 14.141 5.467) 15.684 1.537 ( 6.929 8.809 -10.708) 15.501 1.610 ( 4.991 11.790 -5.071) 13.771 1.864 ( -2.101 -6.060 3.493) 7.303 1.966 ( 3.369 -6.953 -0.246) 7.730 2.122 ( 0.227 -6.685 4.456) 8.037 2.128 ( 0.160 -5.214 -6.034) 7.976 2.323 ( 0.279 2.767 -8.078) 8.543 2.433 ( 4.165 1.075 7.131) 8.328 2.543 ( -1.695 -0.035 1.608) 2.336 2.573 ( 0.438 -1.559 3.679) 4.020 2.660 ( -2.824 0.310 -0.808) 2.954 2.710 ( -1.689 -2.743 0.518) 3.263 2.829 ( 0.810 -1.443 3.979) 4.309 2.850 ( 1.029 -1.840 -2.280) 3.106 2.908 ( -2.422 2.145 1.164) 3.438 2.998 ( -5.505 -0.291 -2.452) 6.033 3.023 ( 2.595 5.765 -7.847) 10.077 3.195 ( 0.129 -1.060 -8.074) 8.144 3.200 ( 0.181 1.704 3.893) 4.254 3.259 ( 4.165 0.774 8.021) 9.071 3.409 ( -3.029 1.864 3.026) 4.669 3.462 ( 0.435 1.140 -1.121) 1.657 4.352 ( -0.953 0.514 -1.704) 2.019 4.437 ( 2.679 1.419 0.848) 3.148 4.566 ( -2.652 -8.247 -0.957) 8.716 4.633 ( 0.192 -6.764 2.181) 7.110 4.963 ( -4.877 5.163 -2.195) 7.434 5.018 ( -1.847 3.714 0.157) 4.151 5.130 ( -1.504 -1.266 -1.953) 2.771 5.187 ( -5.370 -1.637 3.097) 6.411 5.297 ( -7.734 0.620 5.169) 9.323 5.382 ( -5.842 -2.190 0.204) 6.242 5.428 ( -2.820 -0.326 1.166) 3.069 5.526 ( -0.437 -5.777 -1.671) 6.030 5.655 ( 2.650 1.312 0.010) 2.957 5.670 ( 4.902 1.694 -1.378) 5.366 5.703 ( -0.560 -2.005 -5.550) 5.928 5.765 ( 1.841 -3.651 1.878) 4.500 6.055 ( -0.877 2.140 -1.974) 3.041 6.132 ( -0.035 0.779 0.015) 0.780 6.178 ( -0.748 0.524 -1.092) 1.424 6.206 ( 1.257 0.621 1.183) 1.835 6.373 ( -6.692 5.164 3.719) 9.235 6.453 ( 0.155 7.160 -0.255) 7.166 6.632 ( -8.281 -0.845 -5.448) 9.948 6.839 ( 1.554 -2.344 7.495) 8.006 6.986 ( -10.227 1.002 -4.242) 11.117 7.142 ( 2.021 -3.191 -1.804) 4.185 7.189 ( -1.212 3.478 0.822) 3.774 7.334 ( 4.533 -0.695 3.444) 5.735 7.760 ( -11.035 5.676 -2.990) 12.765 8.055 ( 0.975 -0.608 3.118) 3.323 8.172 ( -6.768 -5.459 -0.773) 8.729 8.219 ( -4.343 -2.789 4.332) 6.738 8.394 ( -3.740 4.518 -9.350) 11.037 8.526 ( -1.267 0.273 4.037) 4.240 8.582 ( -6.872 -2.380 3.298) 7.986 8.852 ( -2.224 -6.135 5.346) 8.436 8.966 ( 5.377 0.120 -2.505) 5.933 9.048 ( 3.360 -1.374 -7.125) 7.996 9.147 ( 4.479 3.751 7.835) 9.774 9.233 ( 8.456 -0.452 2.638) 8.869 9.371 ( 5.944 5.656 -5.798) 10.047 9.394 ( 4.891 5.044 -0.008) 7.026 9.652 ( 0.169 -1.503 2.694) 3.090 9.708 ( 1.954 -5.743 -2.893) 6.721 10.322 ( 3.116 2.383 -0.781) 3.999 10.392 ( 7.468 0.847 -1.559) 7.676 10.652 ( -3.896 -2.753 3.063) 5.669 10.813 ( 5.986 -7.676 -2.661) 10.092 20.575 ( -1.218 1.575 0.564) 2.069 20.585 ( -0.709 1.255 -0.751) 1.625 20.917 ( -1.921 1.630 0.407) 2.552 20.931 ( -1.129 1.044 -0.408) 1.591 22.783 ( -1.684 1.393 -1.273) 2.529 22.833 ( 0.982 -0.485 0.455) 1.186 23.044 ( -0.883 1.013 -0.276) 1.372 23.105 ( 2.516 -1.282 0.657) 2.899 24.650 ( -1.699 -1.357 0.302) 2.195 24.672 ( -0.460 -2.473 0.264) 2.529 24.959 ( 0.429 1.304 0.330) 1.412 24.976 ( 1.213 0.659 -0.433) 1.447 25.863 ( -3.778 0.814 -0.336) 3.879 25.877 ( -2.877 0.336 -0.126) 2.900 26.139 ( -2.984 0.260 0.070) 2.996 26.172 ( -1.743 -1.116 0.900) 2.257 28.344 ( -0.961 -0.313 1.386) 1.715 28.358 ( -0.751 -0.743 -0.148) 1.067 28.555 ( -2.222 1.143 1.034) 2.705 28.622 ( -1.947 -1.859 0.550) 2.748 28.634 ( 0.770 1.193 -1.199) 1.858 28.680 ( 0.455 -0.567 0.311) 0.790 28.714 ( 2.328 -1.798 -1.256) 3.198 28.740 ( 3.843 -1.850 -1.161) 4.420 32.364 ( -0.932 1.784 1.059) 2.274 32.405 ( 1.289 0.947 -1.031) 1.903 32.510 ( -1.258 -1.541 0.291) 2.010 32.534 ( 0.157 -1.594 -0.597) 1.709 35.424 ( 0.098 -0.065 1.346) 1.351 35.427 ( 0.109 -0.188 -1.032) 1.054 35.537 ( -0.366 0.960 0.005) 1.027 35.551 ( 0.468 0.444 0.117) 0.656 88.781 ( -1.654 0.333 2.545) 3.054 88.833 ( -2.821 -1.771 2.451) 4.135 88.942 ( 3.525 2.400 -0.459) 4.290 89.131 ( 9.194 -6.302 -0.722) 11.170 97.624 ( 0.355 0.616 0.197) 0.738 97.647 ( 1.138 0.223 -0.245) 1.186 97.664 ( 0.432 -0.201 0.447) 0.653 97.708 ( 2.895 -1.579 0.065) 3.298 98.704 ( -0.555 0.869 -0.178) 1.046 98.726 ( 0.573 0.109 0.081) 0.589 98.971 ( -2.267 3.505 1.311) 4.375 98.976 ( -1.991 3.284 -0.682) 3.901 99.680 ( -1.490 1.865 -0.940) 2.565 99.729 ( -0.193 2.240 0.702) 2.355 99.816 ( -3.763 0.398 -1.491) 4.067 100.044 ( 7.203 -6.933 -0.913) 10.040 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.367 9.163 3.551) 11.709 1.469 ( 5.114 10.526 -13.271) 17.693 1.622 ( 4.721 6.750 -3.948) 9.134 1.739 ( 6.838 7.578 5.896) 11.787 1.882 ( -0.571 -2.127 3.622) 4.239 1.997 ( 2.696 -8.610 -5.008) 10.319 2.042 ( 0.348 -2.299 -5.994) 6.430 2.175 ( 1.560 -4.280 -0.982) 4.660 2.292 ( 3.358 4.036 -1.823) 5.558 2.431 ( -3.382 2.447 -2.512) 4.872 2.528 ( -1.608 0.199 1.061) 1.936 2.582 ( -1.255 3.277 -6.292) 7.204 2.644 ( -0.618 -1.216 0.085) 1.367 2.667 ( -1.425 -5.857 -2.377) 6.479 2.815 ( -4.348 -2.980 -0.609) 5.306 2.844 ( -2.855 1.613 -2.634) 4.206 2.907 ( 2.710 2.788 1.982) 4.363 2.997 ( 2.339 2.565 4.525) 5.704 3.046 ( 4.243 -2.682 7.536) 9.055 3.117 ( -1.505 -0.753 -3.996) 4.336 3.212 ( -2.146 3.083 0.929) 3.870 3.374 ( -4.498 -1.333 3.882) 6.089 3.427 ( 3.892 2.676 7.629) 8.973 3.477 ( 0.372 2.032 2.714) 3.411 4.341 ( 1.727 -0.864 -1.427) 2.401 4.455 ( -2.357 -1.135 0.821) 2.742 4.534 ( 1.465 -5.694 -1.289) 6.019 4.641 ( -2.788 -5.879 2.439) 6.948 4.874 ( -2.958 3.874 -2.064) 5.293 4.991 ( -1.409 2.365 1.154) 2.985 5.041 ( -11.685 -0.777 2.588) 11.994 5.111 ( -0.080 -2.090 -0.138) 2.096 5.261 ( -3.224 0.220 2.090) 3.848 5.309 ( -3.866 -4.042 1.817) 5.881 5.374 ( -3.765 -0.257 -0.902) 3.880 5.451 ( -6.282 -4.524 -1.766) 7.940 5.555 ( -3.532 1.148 -4.918) 6.163 5.663 ( -2.688 -1.694 -1.698) 3.603 5.775 ( 4.906 2.153 2.592) 5.952 5.857 ( 5.195 -1.234 0.571) 5.370 5.985 ( -8.025 -1.285 -2.612) 8.537 6.048 ( -9.476 -1.627 -1.558) 9.740 6.155 ( 1.382 0.755 -0.839) 1.784 6.240 ( 1.817 -1.907 3.397) 4.299 6.324 ( -5.294 7.042 6.783) 11.119 6.470 ( 1.126 6.182 1.743) 6.521 6.498 ( -5.000 0.078 -1.166) 5.135 6.775 ( -8.083 -3.894 0.355) 8.979 6.924 ( -0.462 4.074 3.875) 5.642 7.135 ( -6.011 4.060 -1.000) 7.322 7.183 ( 2.765 -1.974 -0.831) 3.498 7.381 ( -0.418 1.043 -0.517) 1.237 7.625 ( -2.143 4.640 -1.232) 5.257 7.896 ( -8.469 -4.549 -10.069) 13.921 8.073 ( -5.077 -2.948 -1.946) 6.185 8.167 ( -5.866 -3.545 2.274) 7.221 8.376 ( 1.059 8.003 4.106) 9.057 8.511 ( -7.960 -0.633 6.237) 10.132 8.554 ( 2.261 -1.003 1.441) 2.863 8.815 ( -4.905 -6.128 -0.280) 7.855 8.960 ( 0.199 2.557 -3.865) 4.639 9.056 ( 4.717 -0.795 -3.266) 5.792 9.303 ( 3.993 5.312 2.089) 6.966 9.375 ( 5.191 8.766 -4.918) 11.313 9.403 ( 9.527 1.648 0.156) 9.670 9.583 ( 11.629 2.514 3.433) 12.383 9.669 ( 3.456 -4.521 -3.636) 6.753 9.751 ( 1.374 -4.541 3.747) 6.046 10.373 ( 3.650 0.420 -0.700) 3.740 10.511 ( 7.258 0.092 -0.212) 7.262 10.627 ( -3.391 -2.597 3.719) 5.664 10.887 ( 6.745 -9.940 -3.798) 12.599 20.553 ( -1.269 1.556 -0.077) 2.009 20.572 ( -1.435 0.990 0.965) 1.993 20.881 ( -2.662 1.506 0.213) 3.066 20.901 ( -1.957 0.727 -0.260) 2.103 22.750 ( -0.897 1.817 -0.436) 2.073 22.844 ( 0.282 -1.925 0.059) 1.946 23.039 ( -0.051 2.246 0.167) 2.253 23.148 ( 1.993 -2.185 -0.160) 2.962 24.624 ( -1.978 -1.030 0.610) 2.313 24.660 ( -1.134 -2.949 0.022) 3.159 24.973 ( 1.384 1.689 -0.459) 2.231 24.991 ( 1.326 1.080 -0.885) 1.925 25.781 ( -5.276 1.237 -0.232) 5.424 25.811 ( -4.629 0.095 -0.055) 4.631 26.086 ( -3.139 0.713 -0.077) 3.220 26.137 ( -4.202 -1.426 1.560) 4.703 28.344 ( 0.047 0.121 0.505) 0.522 28.351 ( 0.154 -0.087 0.183) 0.254 28.529 ( -1.947 0.885 0.586) 2.217 28.590 ( -2.126 -1.732 -0.044) 2.742 28.638 ( 0.380 0.280 -0.158) 0.497 28.686 ( 1.326 -1.447 -1.789) 2.656 28.723 ( 0.647 0.653 -0.576) 1.085 28.800 ( 3.561 -2.493 -0.575) 4.385 32.360 ( -0.490 1.373 0.517) 1.546 32.413 ( 0.716 -0.016 -0.779) 1.058 32.487 ( -0.673 -0.143 -0.726) 1.001 32.530 ( -0.508 -1.033 0.074) 1.154 35.419 ( 0.538 0.306 -1.024) 1.196 35.441 ( 0.306 -0.630 0.897) 1.139 35.534 ( -0.207 1.110 0.375) 1.190 35.561 ( 0.164 0.232 0.421) 0.508 88.800 ( 0.432 -0.662 2.613) 2.730 88.824 ( -1.583 -1.471 2.892) 3.610 89.016 ( 5.563 3.440 -0.859) 6.597 89.267 ( 7.190 -8.643 -0.770) 11.269 97.641 ( 1.235 0.444 0.349) 1.358 97.663 ( 1.070 -0.211 0.001) 1.091 97.686 ( 1.475 0.371 0.370) 1.565 97.766 ( 3.324 -3.016 0.385) 4.505 98.696 ( 0.068 0.937 -0.321) 0.993 98.731 ( 0.492 -0.248 -0.640) 0.844 98.926 ( -3.079 3.191 0.439) 4.456 98.951 ( -4.084 3.127 3.172) 6.043 99.645 ( -1.833 1.185 -0.862) 2.346 99.688 ( -2.109 -0.456 0.087) 2.159 99.809 ( 1.827 5.917 -0.115) 6.194 100.125 ( 4.937 -7.486 -2.878) 9.418 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 7.668 8.106 -14.122) 17.999 1.541 ( 8.998 5.260 -4.113) 11.205 1.688 ( 2.885 3.180 0.963) 4.400 1.852 ( 2.753 3.791 1.101) 4.813 1.906 ( 0.192 2.105 -1.505) 2.595 1.963 ( 2.296 -2.167 -4.280) 5.319 2.024 ( 1.215 -3.108 -4.083) 5.274 2.169 ( 1.946 -1.147 -1.204) 2.560 2.326 ( -3.222 1.544 -1.916) 4.054 2.362 ( -0.041 2.269 2.675) 3.508 2.478 ( -4.719 -0.038 -4.965) 6.850 2.526 ( 1.199 -0.045 -0.016) 1.200 2.586 ( -2.068 -0.031 -2.724) 3.420 2.646 ( 2.462 -0.309 -2.527) 3.542 2.694 ( -6.514 -2.490 -3.159) 7.656 2.797 ( -2.744 0.208 -0.370) 2.776 2.934 ( 4.145 2.209 -4.443) 6.465 3.029 ( -2.042 -1.142 -1.851) 2.984 3.148 ( 0.466 1.366 6.388) 6.549 3.187 ( 1.437 2.281 3.991) 4.816 3.235 ( 2.316 -1.608 8.466) 8.923 3.328 ( -3.577 -1.049 3.439) 5.072 3.516 ( 0.588 3.339 3.473) 4.853 3.556 ( 1.351 1.346 6.936) 7.193 4.374 ( 2.795 -2.679 -0.034) 3.872 4.418 ( -2.209 -3.725 0.767) 4.398 4.556 ( 1.699 -3.050 -0.532) 3.532 4.597 ( -4.537 -3.722 1.809) 6.141 4.817 ( 0.152 0.773 -4.069) 4.144 4.904 ( -7.933 -1.120 2.599) 8.422 4.996 ( -0.361 1.918 1.985) 2.784 5.109 ( -2.527 -1.039 0.598) 2.797 5.225 ( -2.701 -2.519 0.175) 3.697 5.249 ( -3.658 -3.137 0.716) 4.872 5.324 ( -3.491 0.325 2.514) 4.314 5.360 ( -0.311 -4.534 -0.798) 4.615 5.478 ( -1.897 0.303 -1.342) 2.343 5.588 ( -4.286 -2.417 0.065) 4.921 5.764 ( -9.055 -1.772 -1.770) 9.395 5.820 ( -9.067 -2.516 0.340) 9.416 5.921 ( -0.005 1.953 3.514) 4.020 5.948 ( 5.688 0.558 -2.587) 6.273 6.171 ( -3.761 3.072 0.522) 4.884 6.260 ( -0.316 6.688 2.980) 7.329 6.362 ( -2.458 -3.672 5.648) 7.171 6.453 ( 2.118 -1.621 2.395) 3.585 6.520 ( 1.823 4.984 1.917) 5.643 6.697 ( -4.639 -4.659 2.792) 7.143 6.928 ( -2.698 2.290 0.878) 3.646 6.982 ( -7.773 8.155 -1.601) 11.379 7.202 ( 0.426 -3.868 -1.631) 4.219 7.328 ( -2.291 -1.263 -5.292) 5.903 7.605 ( 2.412 3.388 -5.121) 6.597 7.716 ( -0.794 3.009 -6.797) 7.475 7.977 ( -3.866 -2.822 -1.711) 5.083 8.090 ( -5.704 -2.268 0.728) 6.181 8.329 ( -9.730 8.803 6.515) 14.650 8.568 ( 3.334 -0.348 4.927) 5.959 8.584 ( -1.115 0.225 -0.762) 1.369 8.710 ( -1.423 -2.227 -3.271) 4.205 8.955 ( 1.799 3.854 -1.036) 4.378 9.108 ( 3.805 -1.566 -0.895) 4.211 9.327 ( 0.294 6.373 -0.651) 6.413 9.414 ( 4.240 5.331 -4.902) 8.392 9.582 ( 8.946 0.121 2.839) 9.386 9.704 ( 5.562 -5.423 -3.746) 8.624 9.750 ( 2.758 1.699 2.793) 4.277 9.818 ( 3.608 -3.858 1.481) 5.486 10.424 ( 3.024 0.532 -0.032) 3.071 10.579 ( 0.395 4.182 -1.258) 4.385 10.648 ( 0.347 -5.904 6.661) 8.908 10.940 ( 5.286 -10.946 -5.597) 13.382 20.537 ( -0.661 1.425 0.134) 1.576 20.557 ( -1.419 0.775 0.778) 1.794 20.841 ( -2.238 1.252 0.315) 2.584 20.865 ( -1.829 0.384 -0.434) 1.918 22.749 ( 0.356 1.904 1.123) 2.239 22.853 ( 0.573 -2.197 0.540) 2.334 23.036 ( -0.279 2.266 -0.244) 2.297 23.160 ( 0.561 -2.726 -1.735) 3.280 24.601 ( -1.661 -1.052 1.025) 2.218 24.639 ( -1.074 -3.024 -0.226) 3.218 24.992 ( 1.566 1.906 -0.900) 2.626 25.000 ( 1.029 1.630 -1.085) 2.212 25.699 ( -4.068 1.564 0.032) 4.358 25.733 ( -4.407 0.182 0.023) 4.411 26.038 ( -2.543 0.490 0.144) 2.594 26.076 ( -4.138 -0.915 0.644) 4.286 28.355 ( 0.366 0.545 0.843) 1.068 28.368 ( 1.367 0.100 0.221) 1.388 28.505 ( -1.365 0.569 0.328) 1.515 28.553 ( -1.850 -1.434 -0.544) 2.403 28.639 ( -0.020 0.031 -0.220) 0.223 28.682 ( 0.342 -1.678 -1.912) 2.567 28.736 ( 1.162 1.505 0.702) 2.027 28.837 ( 1.809 -2.688 -0.978) 3.385 32.360 ( 0.045 0.694 0.271) 0.746 32.406 ( -0.623 -1.115 -0.601) 1.411 32.482 ( 0.841 1.219 -0.623) 1.607 32.519 ( -0.798 -0.173 -0.002) 0.817 35.423 ( 0.929 0.465 -0.556) 1.179 35.452 ( 0.148 -0.779 0.335) 0.861 35.536 ( -0.358 1.079 0.781) 1.379 35.564 ( 0.080 0.132 -0.150) 0.215 88.836 ( -0.149 -1.176 2.603) 2.860 88.845 ( 0.716 -1.842 2.897) 3.507 89.094 ( 4.481 3.467 -0.482) 5.686 89.332 ( 2.742 -8.033 -2.841) 8.951 97.667 ( 1.133 0.322 0.441) 1.258 97.683 ( 1.272 0.048 0.090) 1.277 97.716 ( 1.429 0.059 0.706) 1.595 97.812 ( 1.797 -3.959 -0.190) 4.352 98.703 ( 0.886 0.954 0.060) 1.303 98.735 ( 1.051 -0.106 -0.725) 1.281 98.878 ( -3.442 2.857 0.729) 4.533 98.904 ( -4.748 2.806 2.087) 5.897 99.617 ( -0.656 1.720 0.467) 1.899 99.689 ( 0.087 -0.671 1.698) 1.828 99.842 ( 1.694 5.478 0.920) 5.808 100.147 ( 2.721 -7.152 -4.785) 9.025 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 8.049 5.632 -7.278) 12.226 1.614 ( -1.657 -0.078 -1.226) 2.063 1.673 ( 2.543 5.969 -6.946) 9.505 1.756 ( -3.856 6.133 -7.798) 10.644 1.941 ( 4.393 -0.579 -1.650) 4.728 2.006 ( 0.461 -0.662 2.095) 2.244 2.026 ( 3.366 -0.288 -2.363) 4.123 2.158 ( -0.138 -3.443 -4.731) 5.853 2.293 ( 1.394 1.410 -0.910) 2.181 2.341 ( -5.308 1.313 0.160) 5.471 2.399 ( -0.520 -1.860 3.099) 3.652 2.519 ( -1.606 2.234 -1.698) 3.234 2.548 ( -2.994 0.277 0.193) 3.013 2.597 ( 0.658 -0.858 -0.855) 1.378 2.674 ( 3.227 -0.697 -2.043) 3.882 2.720 ( -5.173 2.100 -0.777) 5.637 2.967 ( 2.754 0.172 -1.709) 3.246 2.993 ( -1.130 -0.963 -0.257) 1.507 3.150 ( -0.281 0.252 1.771) 1.811 3.213 ( -5.369 -1.292 1.640) 5.760 3.339 ( 4.585 2.707 5.938) 7.976 3.386 ( -1.516 1.886 6.570) 7.002 3.570 ( 1.116 2.757 3.897) 4.902 3.625 ( 2.312 0.859 1.169) 2.729 4.386 ( -2.325 -3.813 2.954) 5.355 4.433 ( 2.709 -4.180 -1.201) 5.123 4.556 ( -4.013 -1.777 3.544) 5.641 4.569 ( 1.570 -2.672 -1.401) 3.401 4.801 ( 2.527 -2.961 -3.809) 5.446 4.815 ( -5.712 -2.094 1.488) 6.263 4.995 ( -1.084 1.646 0.977) 2.200 5.054 ( -1.017 0.384 -1.788) 2.092 5.189 ( 0.991 -1.700 1.913) 2.744 5.290 ( -2.803 0.191 0.736) 2.904 5.300 ( 2.999 -4.766 2.828) 6.301 5.373 ( -0.343 -4.735 0.809) 4.815 5.452 ( 0.031 -0.034 0.470) 0.472 5.535 ( -2.833 -2.683 -0.251) 3.910 5.641 ( -3.763 0.795 0.999) 3.974 5.714 ( -2.491 -1.816 -0.331) 3.100 5.952 ( -0.764 6.035 1.858) 6.361 6.012 ( 2.641 1.381 -0.044) 2.981 6.112 ( 0.047 -2.241 0.326) 2.265 6.240 ( -8.746 -3.137 0.569) 9.310 6.369 ( 2.872 4.713 5.284) 7.641 6.536 ( -1.262 3.115 -0.822) 3.460 6.592 ( 5.309 -1.953 3.856) 6.846 6.671 ( -1.188 -4.598 3.413) 5.848 6.850 ( -2.818 3.423 -2.324) 5.005 6.898 ( -3.341 4.862 -0.587) 5.929 7.166 ( -1.047 -5.084 -2.609) 5.810 7.235 ( -0.285 -4.584 -6.450) 7.918 7.606 ( 3.286 6.770 -3.509) 8.304 7.668 ( -0.961 8.097 -3.472) 8.862 7.925 ( -0.919 -1.204 0.236) 1.533 7.995 ( -4.326 -1.102 -1.108) 4.600 8.277 ( -5.179 8.645 7.156) 12.360 8.496 ( -0.518 1.487 -7.069) 7.242 8.660 ( 1.492 -0.342 3.021) 3.386 8.719 ( 1.408 -1.084 -0.095) 1.779 8.990 ( 0.881 4.160 3.555) 5.543 9.148 ( 2.607 -0.614 -2.425) 3.613 9.319 ( -1.672 4.112 1.429) 4.663 9.404 ( 1.327 2.866 -4.985) 5.901 9.732 ( 2.179 -2.108 2.779) 4.112 9.749 ( 0.618 -0.794 2.343) 2.550 9.789 ( 6.114 -2.939 -3.282) 7.536 9.859 ( 0.256 -3.026 -1.403) 3.345 10.473 ( 1.472 1.949 1.584) 2.911 10.550 ( -1.322 3.753 -1.197) 4.155 10.724 ( -0.552 -5.193 6.925) 8.673 10.938 ( 2.714 -10.062 -7.065) 12.590 20.535 ( 0.289 1.128 0.154) 1.175 20.543 ( -0.908 0.806 0.394) 1.276 20.818 ( -0.920 0.943 0.500) 1.409 20.837 ( -0.719 0.237 -0.620) 0.979 22.783 ( 1.281 1.882 2.413) 3.318 22.864 ( -0.029 -0.792 -0.291) 0.844 23.033 ( 0.185 0.594 0.671) 0.916 23.131 ( -0.855 -2.799 -3.102) 4.264 24.592 ( -0.901 -1.263 1.353) 2.059 24.623 ( -0.417 -2.794 -0.478) 2.865 24.998 ( 0.170 2.229 -0.645) 2.327 25.005 ( 0.819 1.679 -1.041) 2.138 25.657 ( -1.046 1.496 0.271) 1.845 25.675 ( -2.220 0.712 -0.099) 2.333 26.011 ( -0.823 0.136 0.310) 0.890 26.027 ( -1.869 -0.408 0.022) 1.913 28.369 ( -0.469 0.805 1.524) 1.786 28.389 ( 0.529 0.200 0.220) 0.607 28.494 ( -0.219 0.121 0.267) 0.366 28.522 ( -0.436 -0.914 -1.234) 1.597 28.637 ( -0.170 0.268 0.124) 0.341 28.661 ( -0.134 -0.570 -1.659) 1.760 28.772 ( 1.439 -0.085 1.460) 2.052 28.840 ( 0.245 -2.566 -1.619) 3.044 32.367 ( 0.461 -0.046 0.231) 0.517 32.387 ( -1.030 -0.906 -0.266) 1.397 32.495 ( 1.263 1.054 -0.513) 1.723 32.505 ( -0.792 0.691 -0.120) 1.058 35.436 ( 0.796 0.258 -0.005) 0.836 35.450 ( -0.641 -0.316 0.072) 0.718 35.540 ( -0.211 0.863 0.835) 1.219 35.562 ( 0.275 0.028 -0.664) 0.719 88.859 ( -0.762 -1.084 2.969) 3.251 88.885 ( 0.800 -2.641 1.671) 3.226 89.153 ( 2.251 2.244 1.172) 3.388 89.306 ( -0.638 -5.025 -4.678) 6.895 97.685 ( 0.374 0.506 0.530) 0.823 97.700 ( 0.658 0.657 -0.302) 0.977 97.749 ( 1.156 -1.330 1.571) 2.361 97.817 ( -0.268 -3.564 -1.143) 3.752 98.724 ( 1.120 1.147 0.517) 1.685 98.749 ( 0.993 0.375 -0.548) 1.195 98.836 ( -1.648 2.407 0.374) 2.941 98.850 ( -3.060 2.349 0.727) 3.926 99.633 ( 0.892 2.215 1.833) 3.011 99.699 ( -0.491 1.241 0.119) 1.340 99.894 ( 1.347 1.451 4.258) 4.696 100.115 ( 0.759 -6.394 -6.591) 9.215 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -11.549 7.109 -2.260) 13.749 1.551 ( -7.033 1.983 3.259) 8.001 1.579 ( 4.462 6.087 -3.015) 8.127 1.758 ( 4.921 -0.939 -6.833) 8.472 1.951 ( -2.102 1.213 -1.751) 2.992 1.986 ( 3.235 0.925 0.606) 3.419 2.090 ( -0.463 -2.192 -4.649) 5.161 2.107 ( 3.214 -4.100 -0.882) 5.284 2.255 ( -4.789 3.023 3.142) 6.477 2.351 ( 2.884 0.625 -1.108) 3.153 2.440 ( 0.619 0.216 3.728) 3.785 2.464 ( 0.351 -0.852 -1.232) 1.539 2.564 ( -0.520 0.958 1.113) 1.558 2.589 ( 0.959 -0.355 -0.735) 1.260 2.630 ( -4.972 3.471 0.930) 6.135 2.731 ( 5.402 0.105 -1.118) 5.518 2.921 ( -6.637 1.255 1.311) 6.881 3.006 ( 1.500 -1.767 -0.547) 2.381 3.154 ( -2.380 -0.057 1.922) 3.060 3.203 ( 3.131 -1.010 1.467) 3.603 3.373 ( -4.179 3.019 2.483) 5.722 3.437 ( 0.182 1.434 2.554) 2.934 3.607 ( 0.802 3.023 0.244) 3.137 3.679 ( 4.692 0.399 -2.640) 5.399 4.386 ( -1.834 -2.482 2.653) 4.070 4.455 ( 2.756 -4.888 -2.377) 6.094 4.512 ( -4.713 -1.150 3.124) 5.771 4.597 ( 1.772 -3.910 -0.044) 4.293 4.733 ( -4.314 -1.797 2.436) 5.270 4.832 ( 2.902 -5.301 -0.818) 6.098 5.031 ( 3.583 1.209 -0.794) 3.864 5.058 ( 6.313 0.814 -3.432) 7.232 5.228 ( -2.571 0.893 -0.074) 2.723 5.284 ( 5.655 -0.838 0.698) 5.759 5.350 ( -0.935 -5.254 -1.038) 5.436 5.372 ( 1.522 -3.718 0.661) 4.071 5.481 ( -0.872 -0.271 -1.423) 1.691 5.495 ( 2.553 -0.954 1.618) 3.170 5.667 ( 2.184 0.009 3.384) 4.027 5.687 ( 1.094 -0.460 -1.807) 2.162 5.921 ( -6.162 3.177 2.131) 7.253 6.063 ( 6.925 4.335 -2.244) 8.472 6.090 ( -6.327 -4.099 2.393) 7.910 6.249 ( 10.726 -2.345 0.297) 10.983 6.467 ( -3.478 2.683 -3.163) 5.413 6.471 ( 2.143 4.955 5.029) 7.378 6.625 ( -4.646 -2.577 2.397) 5.828 6.721 ( 2.370 -5.387 -1.889) 6.181 6.849 ( 0.963 2.108 -2.529) 3.431 6.859 ( 5.204 4.743 2.241) 7.389 7.144 ( -0.406 -5.997 0.637) 6.045 7.190 ( 1.908 -5.889 -4.101) 7.426 7.587 ( -4.107 8.831 -1.750) 9.895 7.625 ( 0.138 8.474 -0.344) 8.482 7.909 ( -1.336 0.203 1.806) 2.255 8.005 ( 6.589 -0.016 -1.806) 6.832 8.298 ( -2.640 7.533 8.556) 11.701 8.453 ( 4.691 3.584 -7.133) 9.259 8.691 ( -0.776 -1.251 1.688) 2.240 8.714 ( -0.317 -1.702 -2.095) 2.717 9.042 ( -1.717 3.959 5.736) 7.178 9.131 ( 1.143 1.496 -6.079) 6.364 9.298 ( -3.983 2.100 2.973) 5.396 9.373 ( -0.044 0.646 -1.856) 1.966 9.684 ( -6.763 -1.851 2.834) 7.563 9.767 ( -5.705 -1.219 0.432) 5.850 9.838 ( 3.394 -0.110 -3.894) 5.167 9.867 ( 4.372 -4.664 -1.670) 6.607 10.468 ( -4.508 3.181 2.292) 5.974 10.548 ( 2.508 3.321 -1.307) 4.362 10.771 ( -3.072 -6.701 7.274) 10.356 10.890 ( 0.933 -8.408 -7.235) 11.132 20.536 ( -0.182 1.130 0.109) 1.150 20.549 ( 1.255 0.772 -0.086) 1.476 20.823 ( 0.746 0.780 0.570) 1.220 20.831 ( 0.878 0.394 -0.607) 1.138 22.830 ( 0.178 1.308 1.363) 1.897 22.839 ( -0.487 1.181 -1.137) 1.710 23.062 ( 0.476 -1.546 1.944) 2.529 23.080 ( -0.379 -1.993 -2.465) 3.192 24.600 ( -0.028 -1.530 1.459) 2.114 24.616 ( 0.435 -2.364 -0.683) 2.499 24.988 ( -1.030 2.149 0.177) 2.390 25.000 ( -0.263 1.676 -0.698) 1.834 25.661 ( 0.989 1.357 -0.004) 1.679 25.674 ( 2.437 0.923 -0.020) 2.606 26.016 ( 0.722 0.043 0.005) 0.723 26.023 ( 1.792 -0.079 0.236) 1.809 28.366 ( -1.914 0.661 1.734) 2.666 28.385 ( -1.545 0.180 0.555) 1.651 28.501 ( 0.984 0.049 -0.368) 1.052 28.524 ( 2.108 -0.401 -1.091) 2.408 28.627 ( -1.267 0.558 0.409) 1.443 28.658 ( 1.216 -0.740 -0.885) 1.677 28.800 ( -0.478 -1.149 0.574) 1.370 28.819 ( 0.191 -2.029 -1.370) 2.456 32.369 ( -0.951 -0.280 0.157) 1.004 32.380 ( 0.596 -0.676 0.243) 0.934 32.489 ( -0.888 1.422 -0.072) 1.678 32.512 ( 1.385 0.366 -0.631) 1.566 35.432 ( -1.460 0.378 0.260) 1.530 35.447 ( 0.175 -0.300 0.295) 0.456 35.547 ( 0.151 0.756 0.640) 1.002 35.561 ( 0.540 0.055 -0.907) 1.057 88.868 ( -1.759 -1.141 2.531) 3.287 88.902 ( 0.133 -2.719 -0.012) 2.723 89.195 ( -0.758 -0.696 3.626) 3.769 89.228 ( -1.972 -1.848 -4.313) 5.090 97.690 ( -0.528 0.722 0.565) 1.058 97.697 ( -0.377 0.732 -0.551) 0.991 97.779 ( -0.732 -2.623 0.955) 2.886 97.788 ( -0.582 -2.577 -0.541) 2.696 98.735 ( -1.114 0.939 0.361) 1.501 98.738 ( -1.201 0.866 -0.305) 1.512 98.838 ( 1.502 2.580 0.248) 2.996 98.857 ( 3.515 2.081 0.132) 4.087 99.670 ( -0.106 2.781 0.578) 2.843 99.680 ( 0.389 2.524 -0.388) 2.583 99.967 ( 0.285 -2.446 6.363) 6.823 100.036 ( -0.994 -4.953 -7.799) 9.292 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -10.822 10.106 4.063) 15.355 1.401 ( -12.707 6.417 6.303) 15.568 1.665 ( -0.633 -1.819 1.110) 2.223 1.786 ( 5.061 1.563 3.710) 6.466 1.897 ( -2.618 -1.411 -1.929) 3.545 1.990 ( 0.471 1.170 -5.497) 5.640 2.065 ( -1.455 -1.949 -3.941) 4.632 2.136 ( 2.588 -2.646 2.068) 4.240 2.265 ( 2.014 3.373 2.705) 4.769 2.381 ( 0.427 1.280 1.718) 2.185 2.427 ( -0.902 1.728 -1.205) 2.292 2.478 ( -10.872 5.591 4.451) 13.010 2.539 ( 3.580 2.109 1.311) 4.357 2.621 ( 1.538 -1.866 1.347) 2.768 2.628 ( 2.709 -1.087 1.563) 3.311 2.815 ( 5.650 -0.562 -1.071) 5.778 2.835 ( -4.017 2.290 2.282) 5.156 3.018 ( 0.319 -4.175 -0.074) 4.187 3.161 ( 0.990 1.505 1.366) 2.261 3.283 ( 3.253 -0.332 1.641) 3.659 3.310 ( -2.398 1.873 -2.420) 3.888 3.400 ( -4.377 -1.036 -2.087) 4.958 3.611 ( 1.490 3.537 -3.681) 5.318 3.697 ( 1.676 -0.036 -4.634) 4.927 4.357 ( -3.816 -1.475 1.255) 4.279 4.468 ( 2.561 -5.239 -3.328) 6.714 4.498 ( -1.993 -1.515 3.638) 4.417 4.628 ( 2.976 -4.799 -0.421) 5.662 4.740 ( 1.395 0.175 2.781) 3.116 4.905 ( 5.771 -4.929 2.219) 7.907 5.041 ( -0.239 2.509 -1.701) 3.040 5.154 ( 5.650 -0.734 -1.634) 5.927 5.247 ( 4.829 -1.337 -1.843) 5.339 5.282 ( 0.365 -3.313 -2.371) 4.091 5.371 ( 1.785 -1.403 -1.720) 2.848 5.383 ( 1.620 -0.212 -3.640) 3.989 5.466 ( 1.520 0.113 -0.421) 1.581 5.575 ( 3.616 -3.215 1.978) 5.227 5.728 ( 5.230 0.058 0.304) 5.240 5.779 ( 5.822 -1.859 4.667) 7.690 5.892 ( -0.040 2.094 2.181) 3.024 5.979 ( -5.391 -1.742 -1.123) 5.776 6.187 ( 7.299 6.346 -0.977) 9.721 6.327 ( -3.576 7.018 -2.943) 8.409 6.463 ( 4.863 -2.314 -0.680) 5.429 6.520 ( -5.253 -0.843 -1.883) 5.644 6.549 ( 4.702 0.694 -2.653) 5.443 6.743 ( 3.974 -6.555 -0.269) 7.670 6.894 ( 4.314 2.012 1.063) 4.878 6.994 ( 7.678 4.799 0.192) 9.057 7.197 ( 1.122 -5.627 -0.381) 5.751 7.199 ( 6.089 -4.706 3.552) 8.476 7.508 ( -3.979 6.937 1.111) 8.074 7.614 ( -2.354 5.009 2.731) 6.172 7.947 ( 3.113 1.002 0.900) 3.391 8.112 ( 7.191 -0.770 -0.992) 7.300 8.374 ( 1.522 7.177 8.122) 10.945 8.507 ( 7.134 3.848 -1.346) 8.217 8.657 ( -1.398 -1.078 -3.435) 3.862 8.685 ( -1.956 -2.124 -0.783) 2.992 9.010 ( -3.263 3.061 -2.831) 5.295 9.100 ( -0.883 1.869 -0.299) 2.089 9.249 ( -6.025 1.571 3.648) 7.216 9.366 ( -0.974 0.022 1.648) 1.915 9.592 ( -7.910 -2.558 3.190) 8.904 9.627 ( -9.318 0.648 -1.450) 9.452 9.836 ( -0.512 0.922 -3.153) 3.325 9.882 ( 1.304 -4.182 -3.420) 5.557 10.409 ( -4.667 2.716 1.663) 5.650 10.566 ( 0.155 4.080 -0.536) 4.118 10.760 ( -4.556 -9.883 2.259) 11.115 10.837 ( -0.882 -6.665 -2.008) 7.017 20.540 ( 0.745 1.544 -0.140) 1.720 20.575 ( 2.252 0.567 -0.656) 2.413 20.848 ( 1.918 0.891 -0.240) 2.129 20.856 ( 2.193 0.737 0.280) 2.330 22.786 ( -1.347 1.791 -2.126) 3.089 22.858 ( -0.209 -0.543 0.573) 0.817 23.042 ( 0.055 0.229 -1.155) 1.179 23.113 ( 0.701 -2.127 2.401) 3.284 24.619 ( 0.768 -1.710 0.425) 1.923 24.624 ( 0.944 -1.968 0.261) 2.199 24.970 ( -1.684 1.956 0.831) 2.711 24.984 ( -1.152 1.470 0.124) 1.872 25.702 ( 3.981 1.566 -0.195) 4.283 25.734 ( 4.521 0.323 -0.062) 4.533 26.042 ( 2.449 0.670 -0.199) 2.547 26.080 ( 4.511 -0.482 0.302) 4.547 28.347 ( -2.245 0.329 1.468) 2.703 28.358 ( -2.399 0.062 1.038) 2.615 28.521 ( 2.340 0.567 -1.116) 2.654 28.556 ( 2.387 -0.447 -0.325) 2.450 28.615 ( -0.864 0.234 0.963) 1.315 28.667 ( 0.215 -1.830 -0.231) 1.857 28.767 ( -1.160 -0.251 -1.911) 2.250 28.820 ( -0.780 -1.912 0.463) 2.117 32.358 ( -0.659 0.337 0.445) 0.864 32.392 ( 0.257 -0.920 0.551) 1.103 32.474 ( -0.646 1.864 -0.092) 1.975 32.528 ( 1.385 -0.469 -0.667) 1.607 35.410 ( -1.573 0.828 0.541) 1.858 35.449 ( -0.458 -0.816 0.477) 1.050 35.556 ( 0.551 0.492 -0.598) 0.951 35.562 ( 0.565 0.519 -0.120) 0.777 88.854 ( -2.339 -1.106 1.454) 2.967 88.892 ( -0.389 -2.469 -1.128) 2.742 89.125 ( -3.988 0.675 -3.193) 5.153 89.231 ( -2.839 -5.308 5.572) 8.202 97.679 ( -1.259 0.692 -0.230) 1.455 97.680 ( -1.074 0.434 0.048) 1.159 97.738 ( -1.947 -1.180 -1.177) 2.563 97.794 ( -1.326 -3.828 1.419) 4.292 98.707 ( -1.263 0.684 -0.363) 1.482 98.719 ( -1.351 0.414 0.599) 1.535 98.890 ( 3.916 3.321 -0.125) 5.136 98.938 ( 6.367 2.526 -0.721) 6.887 99.641 ( -0.579 2.944 -1.551) 3.378 99.708 ( 0.800 1.631 0.417) 1.864 99.925 ( -2.479 -1.750 -7.037) 7.664 100.026 ( -1.358 -4.501 6.024) 7.642 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -5.554 13.105 12.699) 19.075 1.290 ( -10.341 11.141 9.531) 17.942 1.638 ( -3.826 -1.813 1.855) 4.622 1.835 ( -1.222 -0.799 -1.540) 2.122 1.899 ( 0.251 -2.416 0.005) 2.429 1.942 ( 0.126 1.958 -2.140) 2.903 2.006 ( -0.283 -4.099 -3.309) 5.275 2.143 ( -0.926 -1.746 0.856) 2.154 2.248 ( -14.828 12.449 4.212) 19.814 2.364 ( 3.998 5.390 3.589) 7.611 2.410 ( -1.223 3.380 3.498) 5.016 2.497 ( 2.382 -3.276 6.222) 7.424 2.616 ( 0.390 -2.023 -1.458) 2.524 2.632 ( 4.728 0.872 2.077) 5.238 2.739 ( 3.010 -4.009 5.086) 7.142 2.825 ( 0.667 0.578 0.660) 1.102 2.885 ( 2.406 -0.865 -0.277) 2.572 3.027 ( 1.226 -4.986 0.899) 5.213 3.193 ( -2.469 1.335 -5.118) 5.837 3.217 ( 2.806 4.290 -1.562) 5.359 3.271 ( -4.121 -1.919 -7.705) 8.946 3.377 ( 3.948 -0.168 1.346) 4.175 3.565 ( -1.196 3.366 -5.617) 6.656 3.634 ( -1.697 -0.142 -6.635) 6.850 4.316 ( -1.922 -1.379 0.739) 2.479 4.477 ( 0.942 -7.680 -0.130) 7.738 4.507 ( 0.678 1.111 -0.158) 1.311 4.666 ( 1.919 -5.815 -0.649) 6.158 4.824 ( 4.337 2.352 2.527) 5.543 5.027 ( 0.980 0.707 -1.120) 1.648 5.053 ( 7.873 -2.408 1.239) 8.326 5.171 ( 2.676 -1.912 -3.458) 4.772 5.285 ( 3.472 -0.171 1.831) 3.929 5.328 ( -1.007 -0.473 -1.182) 1.623 5.347 ( 3.113 -0.539 -2.904) 4.292 5.433 ( 6.172 -0.389 0.461) 6.202 5.494 ( 1.494 0.094 0.425) 1.556 5.646 ( 3.001 -5.605 0.577) 6.384 5.819 ( -3.240 0.550 3.007) 4.455 5.853 ( -4.718 0.133 -2.677) 5.426 5.898 ( 8.732 -0.633 4.041) 9.642 6.021 ( 8.671 -3.438 1.479) 9.444 6.200 ( -2.446 4.157 -3.675) 6.063 6.286 ( -1.130 3.139 -1.026) 3.490 6.429 ( 0.419 3.078 -2.780) 4.168 6.480 ( -0.259 1.280 1.427) 1.934 6.569 ( 4.123 3.144 -7.772) 9.343 6.821 ( 5.973 -4.261 -3.204) 8.006 6.988 ( 3.893 2.350 0.496) 4.574 7.109 ( 7.179 7.068 -0.354) 10.080 7.192 ( -0.589 -3.133 -1.691) 3.609 7.382 ( 7.493 -1.056 -0.894) 7.619 7.532 ( 2.688 0.904 7.931) 8.423 7.653 ( 3.587 -0.150 8.954) 9.647 8.011 ( 3.006 1.000 2.142) 3.824 8.209 ( 6.341 -2.093 -1.569) 6.860 8.471 ( -1.349 4.185 -0.422) 4.417 8.590 ( 2.076 -0.132 4.685) 5.126 8.616 ( -2.980 -1.701 -3.614) 4.984 8.681 ( 7.901 0.784 1.914) 8.167 8.928 ( -3.118 2.681 -1.848) 4.508 9.077 ( -0.154 -0.292 -1.947) 1.975 9.181 ( -8.063 2.531 6.042) 10.389 9.362 ( -2.108 0.345 1.533) 2.629 9.444 ( -10.241 3.618 -1.589) 10.977 9.499 ( -7.738 -2.640 4.130) 9.160 9.747 ( -3.677 0.108 -5.753) 6.828 9.854 ( 0.298 -3.748 -4.253) 5.676 10.353 ( -3.963 2.375 1.223) 4.779 10.514 ( -5.964 3.452 -0.862) 6.945 10.710 ( -0.754 -8.441 -1.438) 8.596 10.802 ( -3.701 -7.189 1.816) 8.287 20.555 ( 1.180 1.896 -0.270) 2.250 20.607 ( 2.974 0.385 -1.860) 3.529 20.882 ( 2.194 1.272 -0.005) 2.536 20.899 ( 2.553 0.955 0.025) 2.726 22.756 ( -0.160 1.889 -0.941) 2.116 22.849 ( -0.536 -1.709 -0.298) 1.815 23.043 ( 0.482 1.682 -0.301) 1.776 23.133 ( -0.686 -1.880 1.197) 2.332 24.635 ( 1.301 -1.372 -0.347) 1.923 24.648 ( 0.814 -2.149 1.068) 2.534 24.953 ( -1.636 1.623 1.155) 2.577 24.969 ( -1.223 1.047 0.920) 1.854 25.780 ( 5.234 1.382 -0.135) 5.415 25.812 ( 4.670 0.132 -0.135) 4.674 26.086 ( 2.792 1.298 -0.116) 3.081 26.167 ( 5.618 -1.759 -0.766) 5.936 28.330 ( -1.683 0.053 1.509) 2.261 28.337 ( -1.329 -0.204 1.503) 2.017 28.551 ( 2.780 0.845 -1.385) 3.218 28.591 ( 1.761 -0.412 0.235) 1.824 28.618 ( -0.500 -0.491 1.558) 1.708 28.650 ( -2.268 -2.018 0.422) 3.066 28.740 ( 0.119 0.438 -1.526) 1.592 28.794 ( -2.450 -1.711 -0.124) 2.991 32.356 ( -0.372 0.869 0.793) 1.233 32.398 ( -0.265 -0.439 0.643) 0.822 32.470 ( 0.047 1.446 0.367) 1.492 32.543 ( 1.286 -1.335 -0.814) 2.025 35.395 ( -1.181 1.004 1.021) 1.857 35.445 ( -0.357 -1.075 0.300) 1.172 35.551 ( 0.098 0.846 -1.052) 1.354 35.574 ( 0.832 0.235 -0.381) 0.945 88.827 ( -2.004 -0.779 0.637) 2.243 88.873 ( -0.019 -2.309 -1.291) 2.646 89.027 ( -4.108 1.692 -2.240) 4.975 89.206 ( -7.284 -8.689 4.821) 12.320 97.652 ( -1.329 0.553 -0.445) 1.506 97.662 ( -1.122 0.194 0.081) 1.141 97.698 ( -1.535 -0.352 -0.746) 1.742 97.766 ( -3.219 -3.671 0.474) 4.905 98.691 ( -0.529 0.655 0.096) 0.848 98.711 ( -0.697 0.058 0.962) 1.189 98.947 ( 3.453 4.001 -1.054) 5.389 99.035 ( 7.229 2.007 -3.662) 8.348 99.635 ( 1.214 2.410 -0.007) 2.698 99.706 ( 0.081 -0.073 -1.379) 1.383 99.827 ( -2.437 3.130 -2.713) 4.806 100.044 ( -3.301 -5.449 4.400) 7.743 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -2.396 14.849 13.164) 19.988 1.272 ( -4.716 14.623 10.426) 18.568 1.592 ( -1.558 2.375 0.605) 2.904 1.730 ( -4.203 8.148 -9.902) 13.495 1.897 ( -1.365 -6.808 3.773) 7.902 1.925 ( -2.405 2.818 1.964) 4.194 1.979 ( -0.078 -5.030 0.123) 5.032 2.120 ( -4.647 0.640 5.578) 7.288 2.169 ( 0.604 -3.158 1.454) 3.529 2.442 ( 0.333 5.171 1.779) 5.479 2.477 ( 0.449 4.075 11.013) 11.751 2.572 ( 1.193 0.477 0.609) 1.422 2.604 ( -1.372 -5.076 1.705) 5.527 2.726 ( 2.184 -1.699 2.003) 3.416 2.803 ( 0.625 -3.539 2.883) 4.607 2.876 ( 3.279 -2.475 1.575) 4.400 2.911 ( 1.443 2.331 1.656) 3.203 3.052 ( -1.133 0.587 -11.044) 11.117 3.080 ( 3.247 -1.563 -0.254) 3.613 3.122 ( -2.534 -2.425 -8.420) 9.121 3.276 ( 3.324 4.710 -0.814) 5.822 3.406 ( -2.466 1.042 -3.557) 4.452 3.479 ( 0.704 2.606 -4.312) 5.087 3.518 ( -3.487 0.151 -6.310) 7.211 4.316 ( 0.867 -1.032 1.099) 1.739 4.487 ( -1.775 -2.561 -0.590) 3.171 4.510 ( 2.077 -3.623 -0.471) 4.203 4.681 ( 0.621 -5.766 -1.066) 5.896 4.918 ( 4.418 3.059 2.307) 5.848 5.039 ( 2.163 1.477 -1.544) 3.041 5.123 ( 1.850 0.751 -1.341) 2.405 5.254 ( 6.308 -0.630 -2.546) 6.831 5.326 ( 2.267 2.998 -0.494) 3.791 5.360 ( -0.123 -3.985 6.217) 7.386 5.395 ( 6.143 -1.568 1.306) 6.474 5.503 ( -0.045 -2.506 1.114) 2.743 5.539 ( -1.652 1.457 5.349) 5.785 5.645 ( -1.311 -3.151 -1.057) 3.573 5.740 ( -4.008 -0.304 -2.754) 4.872 5.820 ( 3.310 -2.117 -2.880) 4.872 6.053 ( 2.683 -0.450 -0.040) 2.721 6.124 ( 1.710 0.116 0.563) 1.804 6.150 ( 1.494 0.191 0.158) 1.515 6.243 ( -1.372 -1.710 -1.226) 2.512 6.417 ( 0.406 2.837 -0.640) 2.936 6.512 ( 1.855 0.241 3.270) 3.767 6.561 ( 2.780 8.727 -6.449) 11.202 6.921 ( 7.985 1.208 0.802) 8.115 6.999 ( 2.093 0.637 -5.865) 6.260 7.133 ( -3.131 -2.378 -1.973) 4.399 7.200 ( 2.297 5.780 0.213) 6.223 7.399 ( -1.177 0.924 -3.270) 3.596 7.683 ( 8.154 3.499 5.288) 10.329 7.944 ( 10.465 -7.307 10.592) 16.587 8.121 ( 6.569 1.107 6.637) 9.403 8.281 ( -1.183 2.924 -1.252) 3.393 8.347 ( 0.032 -3.117 -6.832) 7.510 8.528 ( -2.512 -4.189 -0.607) 4.922 8.700 ( 1.518 2.603 0.234) 3.022 8.824 ( 1.941 -0.888 6.767) 7.096 8.876 ( -3.894 1.018 4.392) 5.958 9.046 ( 1.127 -5.139 -7.747) 9.365 9.135 ( -5.400 4.892 8.206) 10.974 9.280 ( -5.377 4.647 -1.544) 7.272 9.302 ( -6.196 -0.940 -1.657) 6.482 9.427 ( -4.702 -0.526 1.909) 5.102 9.637 ( -1.718 -0.299 -3.907) 4.279 9.803 ( -0.248 -4.715 -5.225) 7.042 10.308 ( -2.296 3.030 0.530) 3.838 10.387 ( -6.112 3.114 -1.291) 6.980 10.704 ( 0.372 -5.913 0.132) 5.926 10.755 ( -2.972 -6.010 0.628) 6.734 20.570 ( 0.783 2.049 -0.097) 2.196 20.624 ( 2.038 0.408 -3.003) 3.653 20.915 ( 1.370 1.491 0.397) 2.063 20.934 ( 1.805 1.143 -0.496) 2.193 22.763 ( 1.263 1.766 0.450) 2.217 22.839 ( -0.431 -1.275 -0.195) 1.360 23.046 ( 0.545 1.471 -0.371) 1.612 23.116 ( -1.796 -1.328 -0.250) 2.248 24.653 ( 1.108 -1.286 -0.017) 1.698 24.668 ( 0.250 -2.251 0.735) 2.381 24.943 ( -1.015 1.401 1.333) 2.184 24.964 ( -0.572 0.398 0.869) 1.114 25.859 ( 3.948 0.962 0.011) 4.063 25.877 ( 3.039 0.358 -0.119) 3.063 26.127 ( 1.825 1.356 0.419) 2.312 26.224 ( 2.924 -2.721 -2.758) 4.853 28.326 ( -0.938 -0.099 2.083) 2.287 28.351 ( 0.898 -1.298 1.209) 1.988 28.580 ( 1.672 0.947 -0.744) 2.060 28.610 ( -1.406 0.174 0.454) 1.487 28.617 ( 0.534 -0.384 1.328) 1.481 28.640 ( -0.075 -1.359 2.090) 2.494 28.722 ( -1.691 -0.782 -0.697) 1.990 28.748 ( -1.011 -1.248 -1.871) 2.466 32.361 ( -0.423 1.335 1.251) 1.878 32.398 ( -0.034 0.656 -0.191) 0.684 32.485 ( 0.520 -0.167 1.379) 1.483 32.551 ( 0.828 -1.974 -1.136) 2.423 35.394 ( -0.607 0.904 1.535) 1.881 35.443 ( 0.002 -1.153 -0.202) 1.171 35.541 ( -0.073 1.264 -0.756) 1.475 35.574 ( 0.222 -0.074 -1.259) 1.281 88.808 ( -1.177 -0.053 0.830) 1.441 88.863 ( -0.449 -1.414 -0.822) 1.696 88.959 ( -0.643 0.193 -1.647) 1.779 89.094 ( -10.148 -6.994 2.643) 12.605 97.631 ( -0.553 0.679 -0.290) 0.923 97.645 ( -0.879 0.242 -0.123) 0.920 97.674 ( -0.485 -0.443 -0.484) 0.816 97.709 ( -3.486 -1.962 0.056) 4.001 98.693 ( 0.246 0.695 0.660) 0.990 98.714 ( -0.412 0.083 1.058) 1.138 98.977 ( 1.724 4.305 -1.374) 4.837 99.071 ( 3.400 1.889 -6.614) 7.673 99.660 ( 0.823 2.239 0.542) 2.446 99.736 ( 3.360 -0.137 0.554) 3.408 99.790 ( 0.695 2.960 0.462) 3.075 100.008 ( -5.190 -5.409 2.228) 7.821 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.800 -10.351 5.127) 11.886 1.587 ( -2.800 10.351 5.127) 11.886 1.627 ( 0.744 -5.420 4.876) 7.329 1.627 ( 0.744 5.420 4.876) 7.329 1.874 ( 2.075 -3.140 -4.650) 5.983 1.874 ( 2.075 3.140 -4.650) 5.983 1.988 ( 0.887 -6.059 -0.812) 6.177 1.988 ( 0.887 6.059 -0.812) 6.177 2.314 ( -1.019 -8.421 8.115) 11.739 2.314 ( -1.019 8.421 8.115) 11.739 2.566 ( -1.555 -1.520 -1.392) 2.582 2.566 ( -1.555 1.520 -1.392) 2.582 2.697 ( -0.480 -0.258 0.779) 0.951 2.697 ( -0.480 0.258 0.779) 0.951 2.825 ( 0.861 -2.737 -1.247) 3.128 2.825 ( 0.861 2.737 -1.247) 3.128 2.975 ( -1.377 -3.407 3.473) 5.056 2.975 ( -1.377 3.407 3.473) 5.056 3.114 ( 5.424 -2.986 -1.466) 6.362 3.114 ( 5.424 2.986 -1.466) 6.362 3.288 ( -3.033 -1.918 -8.238) 8.986 3.288 ( -3.033 1.918 -8.238) 8.986 3.468 ( -0.618 -1.782 -0.580) 1.973 3.468 ( -0.618 1.782 -0.580) 1.973 4.393 ( 0.840 -3.219 3.064) 4.523 4.393 ( 0.840 3.219 3.064) 4.523 4.531 ( -0.565 -3.868 -3.750) 5.417 4.531 ( -0.565 3.868 -3.750) 5.417 5.083 ( 2.313 -1.010 0.574) 2.588 5.083 ( 2.313 1.010 0.574) 2.588 5.187 ( -1.218 -2.418 -1.500) 3.095 5.187 ( -1.218 2.418 -1.500) 3.095 5.378 ( -3.655 -3.796 5.244) 7.435 5.378 ( -3.655 3.796 5.244) 7.435 5.458 ( -1.471 -0.930 -0.428) 1.793 5.458 ( -1.471 0.930 -0.428) 1.793 5.573 ( 2.503 -2.286 3.445) 4.833 5.573 ( 2.503 2.286 3.445) 4.833 5.751 ( 1.479 -3.157 -5.878) 6.834 5.751 ( 1.479 3.157 -5.878) 6.834 6.109 ( 1.740 -1.923 1.070) 2.805 6.109 ( 1.740 1.923 1.070) 2.805 6.190 ( 0.091 -0.455 -1.338) 1.416 6.190 ( 0.091 0.455 -1.338) 1.416 6.532 ( 1.322 -7.016 7.353) 10.248 6.532 ( 1.322 7.016 7.353) 10.248 6.744 ( -4.115 -10.750 -8.823) 14.503 6.744 ( -4.115 10.750 -8.823) 14.503 7.081 ( 2.371 -0.929 1.644) 3.031 7.081 ( 2.371 0.929 1.644) 3.031 7.274 ( -2.842 -1.853 -3.055) 4.566 7.274 ( -2.842 1.853 -3.055) 4.566 7.998 ( 4.669 -4.317 4.986) 8.080 7.998 ( 4.669 4.317 4.986) 8.080 8.170 ( -5.131 -4.239 -4.862) 8.243 8.170 ( -5.131 4.239 -4.862) 8.243 8.500 ( 6.237 -7.848 11.106) 14.961 8.500 ( 6.237 7.848 11.106) 14.961 8.729 ( -9.429 -5.322 -8.428) 13.720 8.729 ( -9.429 5.322 -8.428) 13.720 8.914 ( 4.678 -3.284 3.932) 6.937 8.914 ( 4.678 3.284 3.932) 6.937 9.143 ( -2.861 -1.057 -0.427) 3.080 9.143 ( -2.861 1.057 -0.427) 3.080 9.386 ( 1.442 -3.368 3.080) 4.786 9.386 ( 1.442 3.368 3.080) 4.786 9.642 ( 0.626 -3.686 -4.137) 5.576 9.642 ( 0.626 3.686 -4.137) 5.576 10.366 ( 0.375 -0.858 -1.155) 1.487 10.366 ( 0.375 0.858 -1.155) 1.487 10.653 ( 0.511 -1.989 -0.114) 2.057 10.653 ( 0.511 1.989 -0.114) 2.057 20.610 ( 0.016 -0.904 -0.826) 1.224 20.610 ( 0.016 0.904 -0.826) 1.224 20.953 ( 0.029 -0.421 -0.047) 0.424 20.953 ( 0.029 0.421 -0.047) 0.424 22.818 ( 0.408 -0.554 0.169) 0.708 22.818 ( 0.408 0.554 0.169) 0.708 23.067 ( -0.247 -0.352 -0.397) 0.586 23.067 ( -0.247 0.352 -0.397) 0.586 24.649 ( -0.206 -0.038 0.258) 0.332 24.649 ( -0.206 0.038 0.258) 0.332 24.965 ( 0.044 -0.401 0.688) 0.798 24.965 ( 0.044 0.401 0.688) 0.798 25.907 ( 0.164 -0.077 -0.134) 0.225 25.907 ( 0.164 0.077 -0.134) 0.225 26.172 ( -0.207 -1.343 -0.696) 1.527 26.172 ( -0.207 1.343 -0.696) 1.527 28.341 ( -0.339 -0.709 1.301) 1.520 28.341 ( -0.339 0.709 1.301) 1.520 28.604 ( -1.684 -1.192 1.737) 2.697 28.604 ( -1.684 1.192 1.737) 2.697 28.650 ( 2.070 -0.366 0.494) 2.160 28.650 ( 2.070 0.366 0.494) 2.160 28.686 ( 0.021 -1.803 -2.444) 3.037 28.686 ( 0.021 1.803 -2.444) 3.037 32.400 ( -0.166 -1.071 0.897) 1.407 32.400 ( -0.166 1.071 0.897) 1.407 32.505 ( 0.246 -1.259 -0.596) 1.414 32.505 ( 0.246 1.259 -0.596) 1.414 35.420 ( -0.073 -0.783 0.504) 0.934 35.420 ( -0.073 0.783 0.504) 0.934 35.555 ( -0.044 -0.491 -0.649) 0.815 35.555 ( -0.044 0.491 -0.649) 0.815 88.821 ( -2.540 -1.455 2.172) 3.645 88.821 ( -2.540 1.455 2.172) 3.645 88.952 ( 1.751 -1.937 -1.237) 2.889 88.952 ( 1.751 1.937 -1.237) 2.889 97.639 ( -0.356 -0.425 0.122) 0.568 97.639 ( -0.356 0.425 0.122) 0.568 97.660 ( 0.269 -0.404 -0.280) 0.560 97.660 ( 0.269 0.404 -0.280) 0.560 98.719 ( 0.075 -0.202 0.700) 0.732 98.719 ( 0.075 0.202 0.700) 0.732 99.041 ( -0.242 -1.418 -2.212) 2.638 99.041 ( -0.242 1.418 -2.212) 2.638 99.756 ( 0.747 -1.719 0.634) 1.978 99.756 ( 0.747 1.719 0.634) 1.978 99.853 ( -0.172 -1.361 -0.007) 1.372 99.853 ( -0.172 1.361 -0.007) 1.372 ======================= Grid point 155 (85/92) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -2.558 -11.929 3.877) 12.801 1.567 ( -2.558 11.929 3.877) 12.801 1.723 ( 4.540 -4.740 -0.946) 6.631 1.723 ( 4.540 4.740 -0.946) 6.631 1.855 ( 2.122 -1.418 -2.846) 3.823 1.855 ( 2.122 1.418 -2.846) 3.823 2.005 ( 2.365 -2.831 -1.459) 3.967 2.005 ( 2.365 2.831 -1.459) 3.967 2.422 ( 4.544 -5.008 -0.062) 6.763 2.422 ( 4.544 5.008 -0.062) 6.763 2.522 ( -2.434 -2.231 3.355) 4.707 2.522 ( -2.434 2.231 3.355) 4.707 2.674 ( -2.883 -0.977 0.472) 3.080 2.674 ( -2.883 0.977 0.472) 3.080 2.813 ( 1.326 -0.560 0.309) 1.472 2.813 ( 1.326 0.560 0.309) 1.472 2.976 ( -4.370 -2.754 0.941) 5.250 2.976 ( -4.370 2.754 0.941) 5.250 3.136 ( 1.681 -4.371 -9.227) 10.348 3.136 ( 1.681 4.371 -9.227) 10.348 3.243 ( 1.975 -2.042 5.908) 6.555 3.243 ( 1.975 2.042 5.908) 6.555 3.453 ( -1.241 -1.772 1.070) 2.413 3.453 ( -1.241 1.772 1.070) 2.413 4.408 ( -0.606 -4.678 -1.537) 4.961 4.408 ( -0.606 4.678 -1.537) 4.961 4.511 ( 0.352 -4.159 1.177) 4.336 4.511 ( 0.352 4.159 1.177) 4.336 5.058 ( -2.832 -2.531 -2.705) 4.663 5.058 ( -2.832 2.531 -2.705) 4.663 5.133 ( -5.396 -3.181 1.916) 6.550 5.133 ( -5.396 3.181 1.916) 6.550 5.321 ( -7.262 -2.882 3.249) 8.461 5.321 ( -7.262 2.882 3.249) 8.461 5.449 ( -1.084 -2.473 0.537) 2.753 5.449 ( -1.084 2.473 0.537) 2.753 5.683 ( 4.030 -0.056 -5.407) 6.743 5.683 ( 4.030 0.056 -5.407) 6.743 5.695 ( 1.413 -2.459 2.640) 3.875 5.695 ( 1.413 2.459 2.640) 3.875 6.110 ( -1.007 -2.487 -2.504) 3.670 6.110 ( -1.007 2.487 -2.504) 3.670 6.191 ( 0.003 -1.186 -0.739) 1.398 6.191 ( 0.003 1.186 -0.739) 1.398 6.537 ( -6.976 -7.475 -1.339) 10.312 6.537 ( -6.976 7.475 -1.339) 10.312 6.653 ( -1.855 -10.966 5.339) 12.337 6.653 ( -1.855 10.966 5.339) 12.337 7.062 ( -2.327 -3.865 -2.188) 5.014 7.062 ( -2.327 3.865 -2.188) 5.014 7.278 ( 1.791 -4.055 3.285) 5.518 7.278 ( 1.791 4.055 3.285) 5.518 7.938 ( -7.564 -9.540 -5.179) 13.231 7.938 ( -7.564 9.540 -5.179) 13.231 8.143 ( -2.497 -3.238 4.285) 5.923 8.143 ( -2.497 3.238 4.285) 5.923 8.499 ( -3.798 -3.982 -5.835) 8.020 8.499 ( -3.798 3.982 -5.835) 8.020 8.660 ( -3.545 -9.261 9.298) 13.593 8.660 ( -3.545 9.261 9.298) 13.593 9.004 ( 5.309 -2.392 -5.287) 7.865 9.004 ( 5.309 2.392 -5.287) 7.865 9.208 ( 8.566 -1.904 5.101) 10.150 9.208 ( 8.566 1.904 5.101) 10.150 9.470 ( 7.103 -1.749 -1.457) 7.459 9.470 ( 7.103 1.749 -1.457) 7.459 9.610 ( -0.690 -0.363 -1.301) 1.517 9.610 ( -0.690 0.363 -1.301) 1.517 10.385 ( 2.662 -2.532 -0.354) 3.691 10.385 ( 2.662 2.532 -0.354) 3.691 10.667 ( 1.862 -4.780 -0.852) 5.200 10.667 ( 1.862 4.780 -0.852) 5.200 20.596 ( -1.044 -0.281 -0.041) 1.082 20.596 ( -1.044 0.281 -0.041) 1.082 20.939 ( -1.588 -0.332 -0.042) 1.623 20.939 ( -1.588 0.332 -0.042) 1.623 22.813 ( -0.628 -1.291 -0.580) 1.549 22.813 ( -0.628 1.291 -0.580) 1.549 23.073 ( 0.923 -1.571 0.342) 1.854 23.073 ( 0.923 1.571 0.342) 1.854 24.640 ( -1.171 -0.483 0.315) 1.306 24.640 ( -1.171 0.483 0.315) 1.306 24.978 ( 1.066 -0.428 -0.050) 1.150 24.978 ( 1.066 0.428 -0.050) 1.150 25.877 ( -3.314 -0.355 -0.220) 3.341 25.877 ( -3.314 0.355 -0.220) 3.341 26.150 ( -2.171 -0.814 0.261) 2.333 26.150 ( -2.171 0.814 0.261) 2.333 28.344 ( -0.415 -0.382 0.629) 0.845 28.344 ( -0.415 0.382 0.629) 0.845 28.585 ( -2.301 -1.581 1.010) 2.969 28.585 ( -2.301 1.581 1.010) 2.969 28.659 ( 0.423 -1.232 -1.344) 1.871 28.659 ( 0.423 1.232 -1.344) 1.871 28.707 ( 3.184 -0.998 -0.378) 3.358 28.707 ( 3.184 0.998 -0.378) 3.358 32.401 ( -0.429 -1.351 0.294) 1.448 32.401 ( -0.429 1.351 0.294) 1.448 32.503 ( 0.203 -0.972 -0.407) 1.073 32.503 ( 0.203 0.972 -0.407) 1.073 35.424 ( 0.102 -0.065 0.158) 0.199 35.424 ( 0.102 0.065 0.158) 0.199 35.552 ( 0.061 -0.358 0.012) 0.363 35.552 ( 0.061 0.358 0.012) 0.363 88.799 ( -2.439 -1.293 2.409) 3.664 88.799 ( -2.439 1.293 2.409) 3.664 89.015 ( 6.431 -4.438 -1.258) 7.914 89.015 ( 6.431 4.438 -1.258) 7.914 97.640 ( 0.248 -0.690 0.280) 0.785 97.640 ( 0.248 0.690 0.280) 0.785 97.677 ( 1.842 -1.236 -0.151) 2.223 97.677 ( 1.842 1.236 -0.151) 2.223 98.722 ( -0.088 -0.580 -0.098) 0.595 98.722 ( -0.088 0.580 -0.098) 0.595 99.010 ( -2.209 -0.155 0.296) 2.235 99.010 ( -2.209 0.155 0.296) 2.235 99.723 ( -3.094 -1.879 -0.720) 3.691 99.723 ( -3.094 1.879 -0.720) 3.691 99.898 ( 4.123 -6.181 -0.088) 7.431 99.898 ( 4.123 6.181 -0.088) 7.431 ======================= Grid point 157 (86/92) ======================= q-point: ( 0.22 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 2.165 -5.088 -2.419) 6.035 1.582 ( 2.165 5.088 -2.419) 6.035 1.732 ( 1.687 -8.422 -2.547) 8.959 1.732 ( 1.687 8.422 -2.547) 8.959 1.908 ( 5.916 -1.446 -3.497) 7.023 1.908 ( 5.916 1.446 -3.497) 7.023 2.038 ( 3.513 -5.969 -0.497) 6.944 2.038 ( 3.513 5.969 -0.497) 6.944 2.431 ( -2.918 -6.984 1.568) 7.730 2.431 ( -2.918 6.984 1.568) 7.730 2.537 ( 2.426 -0.600 -3.766) 4.520 2.537 ( 2.426 0.600 -3.766) 4.520 2.626 ( -3.906 -1.442 1.611) 4.465 2.626 ( -3.906 1.442 1.611) 4.465 2.801 ( -1.989 -2.719 -4.704) 5.786 2.801 ( -1.989 2.719 -4.704) 5.786 2.999 ( 3.377 -2.719 8.727) 9.744 2.999 ( 3.377 2.719 8.727) 9.744 3.064 ( -0.448 -3.852 -4.978) 6.310 3.064 ( -0.448 3.852 -4.978) 6.310 3.301 ( -2.683 -4.459 3.010) 6.011 3.301 ( -2.683 4.459 3.010) 6.011 3.484 ( 1.483 -1.538 5.039) 5.473 3.484 ( 1.483 1.538 5.039) 5.473 4.374 ( -0.329 -3.943 -2.167) 4.511 4.374 ( -0.329 3.943 -2.167) 4.511 4.532 ( -0.553 -3.670 1.843) 4.144 4.532 ( -0.553 3.670 1.843) 4.144 4.972 ( -4.864 -4.177 -1.532) 6.592 4.972 ( -4.864 4.177 -1.532) 6.592 5.065 ( -3.838 -2.293 1.366) 4.675 5.065 ( -3.838 2.293 1.366) 4.675 5.247 ( -4.296 -1.834 2.225) 5.174 5.247 ( -4.296 1.834 2.225) 5.174 5.392 ( -5.534 -1.653 -0.087) 5.776 5.392 ( -5.534 1.653 -0.087) 5.776 5.610 ( -2.896 -3.236 -3.620) 5.654 5.610 ( -2.896 3.236 -3.620) 5.654 5.822 ( 5.660 -1.979 1.363) 6.149 5.822 ( 5.660 1.979 1.363) 6.149 5.993 ( -9.644 -2.204 -3.222) 10.404 5.993 ( -9.644 2.204 -3.222) 10.404 6.189 ( 2.047 -2.223 2.212) 3.745 6.189 ( 2.047 2.223 2.212) 3.745 6.456 ( -4.838 -3.527 2.577) 6.519 6.456 ( -4.838 3.527 2.577) 6.519 6.631 ( -4.302 -8.107 1.984) 9.390 6.631 ( -4.302 8.107 1.984) 9.390 7.043 ( -0.479 -6.558 1.401) 6.723 7.043 ( -0.479 6.558 1.401) 6.723 7.309 ( -1.792 -6.897 0.180) 7.129 7.309 ( -1.792 6.897 0.180) 7.129 7.766 ( -3.263 -7.477 -7.622) 11.165 7.766 ( -3.263 7.478 -7.622) 11.165 8.080 ( -6.286 -3.405 1.296) 7.265 8.080 ( -6.286 3.405 1.296) 7.265 8.495 ( 2.163 -2.470 2.559) 4.163 8.495 ( 2.163 2.470 2.559) 4.163 8.635 ( -6.348 -8.853 4.298) 11.711 8.635 ( -6.348 8.853 4.298) 11.711 9.022 ( 4.338 -2.613 -4.853) 7.014 9.022 ( 4.338 2.613 -4.853) 7.014 9.402 ( 6.847 -2.591 2.340) 7.686 9.402 ( 6.847 2.591 2.340) 7.686 9.540 ( 5.830 -6.734 -7.292) 11.511 9.540 ( 5.830 6.734 -7.292) 11.511 9.649 ( 4.343 -4.023 5.043) 7.776 9.649 ( 4.343 4.023 5.043) 7.776 10.439 ( 2.866 -4.971 1.519) 5.936 10.439 ( 2.866 4.971 1.519) 5.936 10.695 ( 3.186 -7.369 -1.992) 8.272 10.695 ( 3.186 7.369 -1.992) 8.272 20.577 ( -1.459 -0.513 0.435) 1.607 20.577 ( -1.459 0.513 0.435) 1.607 20.904 ( -2.462 -0.528 -0.062) 2.519 20.904 ( -2.462 0.528 -0.062) 2.519 22.796 ( -0.520 -2.331 -0.241) 2.400 22.796 ( -0.520 2.331 -0.241) 2.400 23.094 ( 0.923 -2.717 0.041) 2.870 23.094 ( 0.923 2.717 0.041) 2.870 24.620 ( -1.652 -0.782 0.382) 1.867 24.620 ( -1.652 0.782 0.382) 1.867 24.997 ( 1.665 -0.465 -0.689) 1.861 24.997 ( 1.665 0.465 -0.689) 1.861 25.804 ( -4.858 -0.755 -0.129) 4.918 25.804 ( -4.858 0.755 -0.129) 4.918 26.107 ( -3.521 -1.250 0.651) 3.792 26.107 ( -3.521 1.250 0.651) 3.792 28.348 ( 0.385 -0.205 0.368) 0.571 28.348 ( 0.385 0.205 0.368) 0.571 28.554 ( -2.128 -1.483 0.355) 2.618 28.554 ( -2.128 1.483 0.355) 2.618 28.654 ( 0.635 -1.209 -1.375) 1.938 28.654 ( 0.635 1.209 -1.375) 1.938 28.752 ( 2.340 -1.890 -0.113) 3.011 28.752 ( 2.340 1.890 -0.113) 3.011 32.393 ( -0.623 -1.532 -0.136) 1.660 32.393 ( -0.623 1.532 -0.136) 1.660 32.503 ( 0.300 -1.268 -0.260) 1.329 32.503 ( 0.300 1.268 -0.260) 1.329 35.428 ( 0.411 -0.535 -0.076) 0.679 35.428 ( 0.411 0.535 -0.076) 0.679 35.555 ( -0.030 -0.713 0.372) 0.805 35.555 ( -0.030 0.713 0.372) 0.805 88.799 ( -0.640 -0.628 2.409) 2.571 88.799 ( -0.640 0.628 2.409) 2.571 89.113 ( 6.525 -5.723 -1.379) 8.788 89.113 ( 6.525 5.723 -1.379) 8.788 97.653 ( 0.942 -0.583 0.401) 1.178 97.653 ( 0.942 0.583 0.401) 1.178 97.711 ( 2.241 -1.955 -0.055) 2.974 97.711 ( 2.241 1.955 -0.055) 2.974 98.718 ( 0.238 -0.929 -0.527) 1.094 98.718 ( 0.238 0.929 -0.527) 1.094 98.973 ( -3.733 -0.853 1.767) 4.217 98.973 ( -3.733 0.853 1.767) 4.217 99.671 ( -2.065 -1.080 -0.171) 2.336 99.671 ( -2.065 1.080 -0.171) 2.336 99.958 ( 3.549 -7.681 -1.209) 8.547 99.958 ( 3.549 7.681 -1.209) 8.547 ======================= Grid point 159 (87/92) ======================= q-point: ( 0.33 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 4.208 -3.589 -9.341) 10.855 1.564 ( 4.208 3.589 -9.341) 10.855 1.776 ( 3.594 -5.087 0.793) 6.279 1.776 ( 3.594 5.087 0.793) 6.279 1.956 ( 5.287 -2.277 -4.648) 7.398 1.956 ( 5.287 2.277 -4.648) 7.398 2.077 ( 1.128 -7.551 -2.097) 7.917 2.077 ( 1.128 7.551 -2.097) 7.917 2.371 ( -4.861 -1.863 1.407) 5.392 2.371 ( -4.861 1.863 1.407) 5.392 2.519 ( -0.194 -3.534 -3.501) 4.979 2.519 ( -0.194 3.534 -3.501) 4.979 2.573 ( -3.834 -2.143 1.022) 4.510 2.573 ( -3.834 2.143 1.022) 4.510 2.751 ( 0.482 -4.578 -2.180) 5.094 2.751 ( 0.482 4.578 -2.180) 5.094 2.987 ( 0.258 -2.463 -4.447) 5.090 2.987 ( 0.258 2.463 -4.447) 5.090 3.193 ( 1.374 -2.166 9.076) 9.431 3.193 ( 1.374 2.166 9.076) 9.431 3.264 ( -1.044 -4.231 2.671) 5.111 3.264 ( -1.044 4.231 2.671) 5.111 3.566 ( 1.006 -0.885 5.057) 5.231 3.566 ( 1.006 0.885 5.057) 5.231 4.358 ( -0.227 -1.393 -0.046) 1.412 4.358 ( -0.227 1.393 -0.046) 1.412 4.534 ( -0.446 -1.247 0.648) 1.474 4.534 ( -0.446 1.247 0.648) 1.474 4.863 ( -4.936 -2.698 -2.224) 6.049 4.863 ( -4.936 2.698 -2.224) 6.049 5.058 ( 0.673 -3.403 0.846) 3.571 5.058 ( 0.673 3.403 0.846) 3.571 5.199 ( -5.372 -1.072 1.638) 5.718 5.199 ( -5.372 1.072 1.638) 5.718 5.318 ( -2.803 -0.705 2.367) 3.736 5.318 ( -2.803 0.705 2.367) 3.736 5.524 ( -3.429 -3.239 -1.738) 5.027 5.524 ( -3.429 3.239 -1.738) 5.027 5.766 ( -9.291 -1.833 -0.253) 9.473 5.766 ( -9.291 1.833 -0.253) 9.473 5.946 ( 4.870 -0.544 0.018) 4.900 5.946 ( 4.870 0.544 0.018) 4.900 6.263 ( -3.083 -4.919 3.496) 6.777 6.263 ( -3.083 4.919 3.496) 6.777 6.397 ( -1.420 -4.442 3.533) 5.851 6.397 ( -1.420 4.442 3.533) 5.851 6.602 ( -1.454 -3.810 0.951) 4.187 6.602 ( -1.454 3.810 0.951) 4.187 7.023 ( -3.859 -5.347 0.596) 6.621 7.023 ( -3.859 5.347 0.596) 6.621 7.226 ( -2.999 -6.615 -5.869) 9.338 7.226 ( -2.999 6.615 -5.869) 9.338 7.702 ( 3.565 -4.393 -5.488) 7.882 7.702 ( 3.565 4.393 -5.488) 7.882 8.003 ( -5.056 -4.617 1.428) 6.994 8.003 ( -5.056 4.617 1.428) 6.994 8.496 ( -6.346 -6.166 3.574) 9.543 8.496 ( -6.346 6.166 3.574) 9.543 8.634 ( 2.774 -3.744 1.471) 4.886 8.634 ( 2.774 3.744 1.471) 4.886 9.052 ( 3.816 -3.974 -2.363) 5.995 9.052 ( 3.816 3.974 -2.363) 5.995 9.448 ( 0.973 -3.532 -3.759) 5.249 9.448 ( 0.973 3.532 -3.759) 5.249 9.599 ( 5.745 -3.444 0.510) 6.717 9.599 ( 5.745 3.444 0.510) 6.717 9.768 ( 4.135 -1.033 1.343) 4.469 9.768 ( 4.135 1.033 1.343) 4.469 10.506 ( 1.862 -6.309 3.339) 7.377 10.506 ( 1.862 6.309 3.339) 7.377 10.722 ( 3.170 -8.780 -3.128) 9.845 10.722 ( 3.170 8.780 -3.128) 9.845 20.559 ( -1.140 -0.539 0.452) 1.339 20.559 ( -1.140 0.539 0.452) 1.339 20.863 ( -2.207 -0.615 -0.095) 2.293 20.863 ( -2.207 0.615 -0.095) 2.293 22.799 ( 0.468 -2.619 1.018) 2.849 22.799 ( 0.468 2.619 1.018) 2.849 23.096 ( -0.070 -3.086 -1.168) 3.300 23.096 ( -0.070 3.086 -1.168) 3.300 24.598 ( -1.432 -0.833 0.469) 1.722 24.598 ( -1.432 0.833 0.469) 1.722 25.016 ( 1.518 -0.223 -1.008) 1.835 25.016 ( 1.518 0.223 -1.008) 1.835 25.727 ( -4.081 -0.840 0.036) 4.167 25.727 ( -4.081 0.840 0.036) 4.167 26.054 ( -3.307 -0.974 0.489) 3.482 26.054 ( -3.307 0.974 0.489) 3.482 28.366 ( 0.950 -0.363 0.658) 1.212 28.366 ( 0.950 0.363 0.658) 1.212 28.524 ( -1.555 -1.167 -0.171) 1.952 28.524 ( -1.555 1.167 -0.171) 1.952 28.650 ( 0.395 -1.042 -0.975) 1.481 28.650 ( 0.395 1.042 -0.975) 1.481 28.780 ( 1.262 -2.455 -0.244) 2.771 28.780 ( 1.262 2.455 -0.244) 2.771 32.381 ( -0.565 -1.153 -0.188) 1.298 32.381 ( -0.565 1.153 -0.188) 1.298 32.507 ( 0.365 -0.940 -0.238) 1.036 32.507 ( 0.365 0.940 -0.238) 1.036 35.436 ( 0.551 -0.698 -0.055) 0.891 35.436 ( 0.551 0.698 -0.055) 0.891 35.557 ( -0.185 -0.746 0.264) 0.813 35.557 ( -0.185 0.746 0.264) 0.813 88.823 ( 0.169 -0.172 2.475) 2.487 88.823 ( 0.169 0.172 2.475) 2.487 89.187 ( 4.279 -5.405 -1.902) 7.151 89.187 ( 4.279 5.405 -1.902) 7.151 97.677 ( 1.118 -0.520 0.636) 1.388 97.677 ( 1.118 0.520 0.636) 1.388 97.743 ( 1.579 -2.388 -0.277) 2.876 97.743 ( 1.579 2.388 -0.277) 2.876 98.724 ( 1.079 -0.878 -0.282) 1.420 98.724 ( 1.079 0.878 -0.282) 1.420 98.922 ( -4.342 -0.898 1.440) 4.662 98.922 ( -4.342 0.898 1.440) 4.662 99.659 ( -0.339 -1.918 1.565) 2.498 99.659 ( -0.339 1.918 1.565) 2.498 99.985 ( 2.051 -7.514 -2.398) 8.150 99.985 ( 2.051 7.514 -2.398) 8.150 ======================= Grid point 161 (88/92) ======================= q-point: ( 0.44 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 3.338 -4.727 -3.800) 6.922 1.556 ( 3.338 4.727 -3.800) 6.922 1.790 ( 0.272 -3.759 -8.655) 9.440 1.790 ( 0.272 3.759 -8.655) 9.440 1.963 ( 0.192 -2.651 0.290) 2.674 1.963 ( 0.192 2.651 0.290) 2.674 2.065 ( 2.436 -3.563 -4.035) 5.908 2.065 ( 2.436 3.563 -4.035) 5.908 2.339 ( -0.234 -2.616 1.648) 3.100 2.339 ( -0.234 2.616 1.648) 3.100 2.447 ( -5.241 -6.536 -0.536) 8.395 2.447 ( -5.241 6.536 -0.536) 8.395 2.564 ( 1.467 -1.714 0.238) 2.269 2.564 ( 1.467 1.714 0.238) 2.269 2.728 ( -1.188 -1.983 -1.230) 2.619 2.728 ( -1.188 1.983 -1.230) 2.619 2.977 ( 0.955 -0.809 -0.695) 1.432 2.977 ( 0.955 0.809 -0.695) 1.432 3.171 ( -3.535 -1.953 1.628) 4.354 3.171 ( -3.535 1.953 1.628) 4.354 3.388 ( 2.251 -1.504 7.010) 7.515 3.388 ( 2.251 1.504 7.010) 7.515 3.621 ( 1.489 -1.401 1.958) 2.831 3.621 ( 1.489 1.401 1.958) 2.831 4.362 ( -0.166 -1.646 1.325) 2.120 4.362 ( -0.166 1.646 1.325) 2.120 4.533 ( -0.569 -0.292 0.392) 0.750 4.533 ( -0.569 0.292 0.392) 0.750 4.781 ( -2.365 -0.745 -1.947) 3.153 4.781 ( -2.365 0.745 -1.947) 3.153 5.036 ( -1.395 -1.838 -1.406) 2.702 5.036 ( -1.395 1.838 -1.406) 2.702 5.205 ( 3.279 -3.167 3.295) 5.625 5.205 ( 3.279 3.167 3.295) 5.625 5.304 ( -2.812 -1.694 1.628) 3.664 5.304 ( -2.812 1.694 1.628) 3.664 5.480 ( -1.379 -2.231 0.735) 2.723 5.480 ( -1.379 2.231 0.735) 2.723 5.673 ( -1.772 -1.893 0.087) 2.594 5.673 ( -1.772 1.893 0.087) 2.594 6.035 ( 5.243 -0.489 0.775) 5.323 6.035 ( 5.243 0.489 0.775) 5.323 6.128 ( -10.318 -5.311 0.671) 11.624 6.128 ( -10.318 5.311 0.671) 11.624 6.509 ( 4.550 -6.475 3.928) 8.835 6.509 ( 4.550 6.475 3.928) 8.835 6.587 ( -1.228 -2.306 1.392) 2.961 6.587 ( -1.228 2.306 1.392) 2.961 6.942 ( -3.911 -3.093 -1.805) 5.303 6.942 ( -3.911 3.093 -1.805) 5.303 7.128 ( -0.755 -3.476 -5.941) 6.925 7.128 ( -0.755 3.476 -5.941) 6.925 7.733 ( 3.716 -3.309 -2.472) 5.556 7.733 ( 3.716 3.309 -2.472) 5.556 7.937 ( -3.272 -3.356 0.412) 4.705 7.937 ( -3.272 3.356 0.412) 4.705 8.437 ( -3.461 -5.976 2.110) 7.221 8.437 ( -3.461 5.976 2.110) 7.221 8.685 ( 1.503 -1.959 0.277) 2.484 8.685 ( 1.503 1.959 0.277) 2.484 9.095 ( 2.495 -4.398 0.269) 5.064 9.095 ( 2.495 4.398 0.269) 5.064 9.404 ( -1.377 -2.853 -3.076) 4.415 9.404 ( -1.377 2.853 -3.076) 4.415 9.698 ( 2.799 -0.721 2.632) 3.909 9.698 ( 2.799 0.721 2.632) 3.909 9.807 ( 1.841 -1.989 -2.052) 3.399 9.807 ( 1.841 1.989 -2.052) 3.399 10.561 ( -0.184 -5.151 3.978) 6.510 10.561 ( -0.184 5.151 3.978) 6.510 10.729 ( 1.983 -8.224 -3.702) 9.234 10.729 ( 1.983 8.224 -3.702) 9.234 20.550 ( -0.368 -0.195 0.279) 0.501 20.550 ( -0.368 0.195 0.279) 0.501 20.835 ( -0.886 -0.472 -0.099) 1.009 20.835 ( -0.886 0.472 -0.099) 1.009 22.829 ( 1.001 -2.186 1.751) 2.974 22.829 ( 1.001 2.186 1.751) 2.974 23.070 ( -0.770 -2.579 -1.890) 3.289 23.070 ( -0.770 2.579 -1.890) 3.289 24.585 ( -0.660 -0.673 0.495) 1.065 24.585 ( -0.660 0.673 0.495) 1.065 25.023 ( 0.549 -0.102 -0.871) 1.035 25.023 ( 0.549 0.102 -0.871) 1.035 25.679 ( -1.521 -0.444 0.088) 1.587 25.679 ( -1.521 0.444 0.088) 1.587 26.017 ( -1.354 -0.436 0.265) 1.447 26.017 ( -1.354 0.436 0.265) 1.447 28.385 ( -0.154 -0.576 1.251) 1.386 28.385 ( -0.154 0.576 1.251) 1.386 28.504 ( 0.021 -0.732 -0.915) 1.172 28.504 ( 0.021 0.732 -0.915) 1.172 28.647 ( 0.067 -0.665 -0.442) 0.801 28.647 ( 0.067 0.665 -0.442) 0.801 28.791 ( 0.480 -1.768 -0.345) 1.864 28.791 ( 0.480 1.768 -0.345) 1.864 32.372 ( -0.332 -0.463 -0.040) 0.571 32.372 ( -0.332 0.463 -0.040) 0.571 32.510 ( 0.295 -0.246 -0.270) 0.469 32.510 ( 0.295 0.246 -0.270) 0.469 35.443 ( 0.127 -0.376 0.113) 0.412 35.443 ( 0.127 0.376 0.113) 0.412 35.556 ( -0.028 -0.585 0.016) 0.585 35.556 ( -0.028 0.585 0.016) 0.585 88.850 ( -0.119 -0.522 2.266) 2.329 88.850 ( -0.119 0.522 2.266) 2.329 89.213 ( 1.365 -3.502 -1.907) 4.215 89.213 ( 1.365 3.502 -1.907) 4.215 97.700 ( 0.631 -0.785 0.804) 1.288 97.700 ( 0.631 0.785 0.804) 1.288 97.754 ( 0.369 -2.011 -0.550) 2.117 97.754 ( 0.369 2.011 -0.550) 2.117 98.746 ( 1.286 -0.699 0.104) 1.468 98.746 ( 1.286 0.699 0.104) 1.468 98.869 ( -2.659 -0.494 0.550) 2.760 98.869 ( -2.659 0.494 0.550) 2.760 99.685 ( 0.550 -2.147 2.466) 3.316 99.685 ( 0.550 2.147 2.466) 3.316 99.977 ( 0.495 -5.865 -2.808) 6.521 99.977 ( 0.495 5.865 -2.808) 6.521 ======================= Grid point 163 (89/92) ======================= q-point: (-0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -7.502 -4.360 0.619) 8.699 1.530 ( -7.502 4.360 0.619) 8.699 1.695 ( 2.040 -4.411 -4.650) 6.726 1.695 ( 2.040 4.411 -4.650) 6.726 1.987 ( -0.137 -2.761 0.791) 2.876 1.987 ( -0.137 2.761 0.791) 2.876 2.053 ( 2.537 -1.969 -4.470) 5.504 2.053 ( 2.537 1.969 -4.470) 5.504 2.351 ( -3.300 -3.994 0.996) 5.276 2.351 ( -3.300 3.994 0.996) 5.276 2.416 ( 3.725 -1.396 2.105) 4.500 2.416 ( 3.725 1.396 2.105) 4.500 2.577 ( -0.358 -0.349 -0.707) 0.866 2.577 ( -0.358 0.349 -0.707) 0.866 2.714 ( 0.774 -2.633 0.004) 2.744 2.714 ( 0.774 2.633 0.004) 2.744 2.966 ( -2.555 -2.405 0.500) 3.544 2.966 ( -2.555 2.405 0.500) 3.544 3.167 ( 1.105 -1.622 1.624) 2.548 3.167 ( 1.105 1.622 1.624) 2.548 3.430 ( -3.494 -1.862 3.128) 5.046 3.430 ( -3.494 1.862 3.128) 5.046 3.665 ( 3.154 -1.895 -1.511) 3.978 3.665 ( 3.154 1.895 -1.511) 3.978 4.377 ( 0.348 -1.801 0.479) 1.896 4.377 ( 0.348 1.801 0.479) 1.896 4.522 ( -1.098 -2.284 0.797) 2.657 4.522 ( -1.098 2.284 0.797) 2.657 4.743 ( -1.047 -2.579 1.231) 3.043 4.743 ( -1.047 2.579 1.231) 3.043 5.058 ( 6.110 -0.941 -2.883) 6.821 5.058 ( 6.110 0.941 -2.883) 6.821 5.257 ( -2.721 -2.617 -0.805) 3.860 5.257 ( -2.721 2.617 -0.805) 3.860 5.306 ( 4.310 -2.354 1.328) 5.087 5.306 ( 4.310 2.354 1.328) 5.087 5.483 ( 1.060 -0.321 0.593) 1.256 5.483 ( 1.060 0.321 0.593) 1.256 5.675 ( 1.354 -0.596 -0.375) 1.526 5.675 ( 1.354 0.596 -0.375) 1.526 5.998 ( -6.565 -4.048 2.867) 8.228 5.998 ( -6.565 4.048 2.867) 8.228 6.164 ( 10.382 -4.724 -0.883) 11.440 6.164 ( 10.382 4.724 -0.883) 11.440 6.533 ( -2.707 -1.932 0.826) 3.427 6.533 ( -2.707 1.932 0.826) 3.427 6.615 ( 0.087 -3.937 0.542) 3.975 6.615 ( 0.087 3.937 0.542) 3.975 6.909 ( 2.435 -1.893 0.287) 3.097 6.909 ( 2.435 1.893 0.287) 3.097 7.083 ( 0.847 -2.393 -2.343) 3.454 7.083 ( 0.847 2.393 -2.343) 3.454 7.713 ( -3.954 -1.702 -0.789) 4.376 7.713 ( -3.954 1.702 -0.789) 4.376 7.949 ( 4.655 -3.836 -0.598) 6.062 7.949 ( 4.655 3.836 -0.598) 6.062 8.435 ( 0.358 -4.568 2.468) 5.204 8.435 ( 0.358 4.568 2.468) 5.204 8.688 ( -0.386 -0.713 -0.938) 1.239 8.688 ( -0.386 0.713 -0.938) 1.239 9.121 ( 0.067 -2.532 -0.400) 2.564 9.121 ( 0.067 2.532 -0.400) 2.564 9.349 ( -3.389 -2.428 0.687) 4.225 9.349 ( -3.389 2.428 0.687) 4.225 9.696 ( -5.230 -3.318 1.590) 6.395 9.696 ( -5.230 3.318 1.590) 6.395 9.832 ( 3.972 -0.565 -3.046) 5.038 9.832 ( 3.972 0.565 -3.046) 5.038 10.576 ( -2.711 -5.134 3.310) 6.683 10.576 ( -2.711 5.134 3.310) 6.683 10.715 ( 0.792 -6.057 -3.120) 6.859 10.715 ( 0.792 6.057 -3.120) 6.859 20.553 ( 0.540 -0.379 0.039) 0.661 20.553 ( 0.540 0.379 0.039) 0.661 20.834 ( 0.923 -0.191 -0.055) 0.944 20.834 ( 0.923 0.191 -0.055) 0.944 22.851 ( -0.196 -0.301 0.218) 0.420 22.851 ( -0.196 0.301 0.218) 0.420 23.049 ( 0.192 -0.538 -0.382) 0.687 23.049 ( 0.192 0.538 -0.382) 0.687 24.586 ( 0.273 -0.366 0.381) 0.595 24.586 ( 0.273 0.366 0.381) 0.595 25.015 ( -0.732 -0.289 -0.254) 0.827 25.015 ( -0.732 0.289 -0.254) 0.827 25.681 ( 1.664 -0.345 -0.044) 1.700 25.681 ( 1.664 0.345 -0.044) 1.700 26.019 ( 1.361 -0.234 0.113) 1.386 26.019 ( 1.361 0.234 0.113) 1.386 28.380 ( -2.142 -0.534 1.547) 2.696 28.380 ( -2.142 0.534 1.547) 2.696 28.510 ( 2.153 -0.716 -1.373) 2.652 28.510 ( 2.153 0.716 -1.373) 2.652 28.642 ( -0.474 -0.754 0.008) 0.891 28.642 ( -0.474 0.754 0.008) 0.891 28.791 ( -0.028 -0.423 -0.343) 0.545 28.791 ( -0.028 0.423 -0.343) 0.545 32.369 ( -0.106 -0.298 0.179) 0.363 32.369 ( -0.106 0.298 0.179) 0.363 32.510 ( 0.177 -0.549 -0.323) 0.661 32.510 ( 0.177 0.549 -0.323) 0.661 35.441 ( -0.649 -0.354 0.286) 0.793 35.441 ( -0.649 0.354 0.286) 0.793 35.558 ( 0.399 -0.300 -0.156) 0.523 35.558 ( 0.399 0.300 -0.156) 0.523 88.862 ( -0.939 -0.777 1.478) 1.916 88.862 ( -0.939 0.777 1.478) 1.916 89.198 ( -1.338 -0.870 -0.821) 1.795 89.198 ( -1.338 0.870 -0.821) 1.795 97.708 ( -0.590 -0.487 0.318) 0.829 97.708 ( -0.590 0.487 0.318) 0.829 97.748 ( -0.491 -0.566 -0.174) 0.769 97.748 ( -0.491 0.566 -0.174) 0.769 98.747 ( -1.351 -0.080 -0.003) 1.353 98.747 ( -1.351 0.080 -0.003) 1.353 98.873 ( 2.792 -0.559 0.260) 2.859 98.873 ( 2.792 0.559 0.260) 2.859 99.713 ( 0.257 -0.393 0.700) 0.843 99.713 ( 0.257 0.393 0.700) 0.843 99.952 ( -0.610 -1.889 -1.208) 2.324 99.952 ( -0.610 1.889 -1.208) 2.324 ======================= Grid point 165 (90/92) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -7.522 -7.024 3.472) 10.862 1.404 ( -7.522 7.024 3.472) 10.862 1.698 ( -3.733 -6.141 4.382) 8.417 1.698 ( -3.733 6.141 4.382) 8.417 1.973 ( -0.589 -4.476 -2.304) 5.069 1.973 ( -0.589 4.476 -2.304) 5.069 2.057 ( 2.241 -2.951 -1.998) 4.210 2.057 ( 2.241 2.951 -1.998) 4.210 2.352 ( 1.370 -3.276 2.626) 4.416 2.352 ( 1.370 3.276 2.626) 4.416 2.493 ( 1.760 -4.771 0.428) 5.104 2.493 ( 1.760 4.771 0.428) 5.104 2.573 ( 2.324 -1.301 0.404) 2.694 2.573 ( 2.324 1.301 0.404) 2.694 2.718 ( -2.767 -6.720 1.139) 7.356 2.718 ( -2.767 6.720 1.139) 7.356 2.923 ( -1.928 -4.269 0.894) 4.768 2.923 ( -1.928 4.269 0.894) 4.768 3.231 ( 3.927 -3.879 1.787) 5.802 3.231 ( 3.927 3.879 1.787) 5.802 3.360 ( -4.646 -2.360 -2.540) 5.797 3.360 ( -4.646 2.360 -2.540) 5.797 3.676 ( 1.189 -2.151 -3.820) 4.542 3.676 ( 1.189 2.151 -3.820) 4.542 4.366 ( -1.574 -2.734 -0.253) 3.165 4.366 ( -1.574 2.734 -0.253) 3.165 4.529 ( 1.310 -3.473 0.257) 3.721 4.529 ( 1.310 3.473 0.257) 3.721 4.797 ( 4.408 -4.516 3.435) 7.185 4.797 ( 4.408 4.516 3.435) 7.185 5.107 ( 1.369 -3.321 -2.951) 4.648 5.107 ( 1.369 3.321 -2.951) 4.648 5.232 ( 3.571 -1.106 -0.887) 3.842 5.232 ( 3.571 1.106 -0.887) 3.842 5.371 ( 3.423 -0.758 -2.482) 4.296 5.371 ( 3.423 0.758 -2.482) 4.296 5.507 ( 1.479 -2.974 -0.220) 3.329 5.507 ( 1.479 2.974 -0.220) 3.329 5.743 ( 6.865 -1.325 1.760) 7.210 5.743 ( 6.865 1.325 1.760) 7.210 5.934 ( -4.534 -2.065 1.158) 5.115 5.934 ( -4.534 2.065 1.158) 5.115 6.342 ( 9.369 -7.278 -3.017) 12.241 6.342 ( 9.369 7.278 -3.017) 12.241 6.457 ( -3.534 -3.883 -1.480) 5.455 6.457 ( -3.534 3.883 -1.480) 5.455 6.620 ( 1.943 -4.432 -0.136) 4.841 6.620 ( 1.943 4.432 -0.136) 4.841 7.005 ( 5.286 -6.215 2.675) 8.586 7.005 ( 5.286 6.215 2.675) 8.586 7.119 ( 4.315 -2.472 1.918) 5.330 7.119 ( 4.315 2.472 1.918) 5.330 7.631 ( -4.600 -3.343 0.429) 5.703 7.631 ( -4.600 3.343 0.429) 5.703 8.031 ( 5.400 -5.610 -1.100) 7.864 8.031 ( 5.400 5.610 -1.100) 7.864 8.502 ( 3.245 -3.880 4.126) 6.527 8.502 ( 3.245 3.880 4.126) 6.527 8.656 ( -1.290 -0.671 -2.466) 2.863 8.656 ( -1.290 0.671 -2.466) 2.863 9.082 ( -1.857 -2.950 -3.505) 4.943 9.082 ( -1.857 2.950 -3.505) 4.943 9.312 ( -6.050 -3.849 6.698) 9.812 9.312 ( -6.050 3.849 6.698) 9.812 9.603 ( -6.123 -2.507 -0.280) 6.622 9.603 ( -6.123 2.507 -0.280) 6.622 9.834 ( -0.119 -0.829 -3.273) 3.378 9.834 ( -0.119 0.829 -3.273) 3.378 10.546 ( -3.645 -8.843 1.042) 9.621 10.546 ( -3.645 8.843 1.042) 9.621 10.690 ( -0.896 -6.485 -1.360) 6.686 10.690 ( -0.896 6.485 -1.360) 6.686 20.569 ( 1.495 -0.953 -0.326) 1.803 20.569 ( 1.495 0.953 -0.326) 1.803 20.861 ( 2.269 -0.255 -0.009) 2.283 20.861 ( 2.269 0.255 -0.009) 2.283 22.829 ( -1.079 -1.933 -1.386) 2.612 22.829 ( -1.079 1.933 -1.386) 2.612 23.067 ( 0.906 -1.893 1.185) 2.410 23.067 ( 0.906 1.893 1.185) 2.410 24.601 ( 0.991 -0.130 0.238) 1.028 24.601 ( 0.991 0.130 0.238) 1.028 24.996 ( -1.628 -0.364 0.513) 1.745 24.996 ( -1.628 0.364 0.513) 1.745 25.730 ( 4.148 -0.813 -0.192) 4.231 25.730 ( 4.148 0.813 -0.192) 4.231 26.061 ( 3.512 -1.047 -0.112) 3.666 26.061 ( 3.512 1.047 -0.112) 3.666 28.355 ( -2.606 -0.316 1.458) 3.003 28.355 ( -2.606 0.316 1.458) 3.003 28.539 ( 2.866 -0.986 -1.350) 3.318 28.539 ( 2.866 0.986 -1.350) 3.318 28.632 ( -1.048 -1.274 0.575) 1.747 28.632 ( -1.048 1.274 0.575) 1.747 28.782 ( -0.638 -1.445 -0.384) 1.625 28.782 ( -0.638 1.445 -0.384) 1.625 32.372 ( -0.014 -0.864 0.504) 1.000 32.372 ( -0.014 0.864 0.504) 1.000 32.509 ( 0.166 -1.289 -0.412) 1.363 32.509 ( 0.166 1.289 -0.412) 1.363 35.430 ( -0.998 -0.936 0.428) 1.434 35.430 ( -0.998 0.936 0.428) 1.434 35.564 ( 0.592 -0.207 -0.325) 0.707 35.564 ( 0.592 0.207 -0.325) 0.707 88.851 ( -1.435 -0.975 0.463) 1.796 88.851 ( -1.435 0.975 0.463) 1.796 89.154 ( -3.831 -2.193 0.561) 4.450 89.154 ( -3.831 2.193 0.561) 4.450 97.689 ( -1.420 -0.221 -0.318) 1.472 97.689 ( -1.420 0.221 -0.318) 1.472 97.735 ( -1.287 -1.472 0.304) 1.979 97.735 ( -1.287 1.472 0.304) 1.979 98.720 ( -1.476 -0.362 0.048) 1.520 98.720 ( -1.476 0.362 0.048) 1.520 98.945 ( 5.336 -1.519 -0.420) 5.564 98.945 ( 5.336 1.519 -0.420) 5.564 99.703 ( -0.265 -2.201 -1.911) 2.927 99.703 ( -0.265 2.201 -1.911) 2.927 99.937 ( -1.436 -3.056 1.330) 3.629 99.937 ( -1.436 3.056 1.330) 3.629 ======================= Grid point 167 (91/92) ======================= q-point: (-0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -3.161 -5.811 9.816) 11.837 1.386 ( -3.161 5.811 9.816) 11.837 1.669 ( -5.680 -8.222 6.075) 11.694 1.669 ( -5.680 8.222 6.075) 11.694 1.920 ( -0.030 -3.383 -5.144) 6.157 1.920 ( -0.030 3.383 -5.144) 6.157 2.064 ( -0.653 -5.850 -1.686) 6.123 2.064 ( -0.653 5.850 -1.686) 6.123 2.413 ( -0.637 -3.629 3.612) 5.160 2.413 ( -0.637 3.629 3.612) 5.160 2.500 ( 0.897 -2.655 -0.126) 2.806 2.500 ( 0.897 2.655 -0.126) 2.806 2.644 ( 1.746 -3.602 -0.148) 4.006 2.644 ( 1.746 3.602 -0.148) 4.006 2.658 ( -3.106 -4.809 5.934) 8.245 2.658 ( -3.106 4.809 5.934) 8.245 2.951 ( 2.550 -3.701 2.210) 5.009 2.951 ( 2.550 3.701 2.210) 5.009 3.230 ( -3.916 -1.866 -7.197) 8.403 3.230 ( -3.916 1.866 -7.197) 8.403 3.323 ( 4.866 -4.452 -0.172) 6.598 3.323 ( 4.866 4.452 -0.172) 6.598 3.620 ( -1.842 -1.560 -5.455) 5.965 3.620 ( -1.842 1.560 -5.455) 5.965 4.341 ( -1.231 -3.986 0.769) 4.242 4.341 ( -1.231 3.986 0.769) 4.242 4.560 ( 2.515 -3.728 -1.127) 4.636 4.560 ( 2.515 3.728 -1.127) 4.636 4.917 ( 4.035 -5.848 3.065) 7.738 4.917 ( 4.035 5.848 3.065) 7.738 5.110 ( 4.934 -3.490 -1.841) 6.318 5.110 ( 4.934 3.490 -1.841) 6.318 5.300 ( 2.622 -2.015 -1.339) 3.567 5.300 ( 2.622 2.015 -1.339) 3.567 5.389 ( 3.644 -2.962 -1.304) 4.873 5.389 ( 3.644 2.962 -1.304) 4.873 5.543 ( 1.692 -3.785 1.923) 4.570 5.543 ( 1.692 3.785 1.923) 4.570 5.839 ( -4.464 -1.167 1.056) 4.733 5.839 ( -4.464 1.167 1.056) 4.733 5.934 ( 8.805 -3.660 1.208) 9.611 5.934 ( 8.805 3.660 1.208) 9.611 6.276 ( -4.438 -2.683 -4.952) 7.171 6.276 ( -4.438 2.683 -4.952) 7.171 6.480 ( 0.661 -1.238 -0.196) 1.417 6.480 ( 0.661 1.238 -0.196) 1.417 6.697 ( 8.967 -7.055 -3.227) 11.857 6.697 ( 8.967 7.055 -3.227) 11.857 7.086 ( 2.479 -5.802 -1.260) 6.434 7.086 ( 2.479 5.802 -1.260) 6.434 7.268 ( 8.063 -7.207 3.455) 11.353 7.268 ( 8.063 7.207 3.455) 11.353 7.608 ( 0.201 -4.158 5.083) 6.570 7.608 ( 0.201 4.158 5.083) 6.570 8.102 ( 5.094 -6.405 -1.023) 8.248 8.102 ( 5.094 6.405 -1.023) 8.248 8.549 ( -5.820 -3.038 1.032) 6.646 8.549 ( -5.820 3.038 1.032) 6.646 8.654 ( 6.923 -3.153 -0.141) 7.608 8.654 ( 6.923 3.153 -0.141) 7.608 9.009 ( -1.890 -4.335 -3.789) 6.060 9.009 ( -1.890 4.335 -3.789) 6.060 9.282 ( -8.353 -5.544 9.845) 14.051 9.282 ( -8.353 5.544 9.845) 14.051 9.495 ( -6.422 -0.310 -0.746) 6.473 9.495 ( -6.422 0.310 -0.746) 6.473 9.765 ( -2.457 -2.964 -4.678) 6.058 9.765 ( -2.457 2.964 -4.678) 6.058 10.479 ( -3.932 -7.522 -1.410) 8.604 10.479 ( -3.932 7.522 -1.410) 8.604 10.663 ( -1.405 -5.275 0.281) 5.466 10.663 ( -1.405 5.275 0.281) 5.466 20.593 ( 1.958 -1.410 -0.859) 2.561 20.593 ( 1.958 1.410 -0.859) 2.561 20.903 ( 2.541 -0.536 -0.002) 2.597 20.903 ( 2.541 0.536 -0.002) 2.597 22.804 ( -0.272 -2.351 -0.847) 2.514 22.804 ( -0.272 2.351 -0.847) 2.514 23.087 ( 0.099 -2.257 0.628) 2.344 23.087 ( 0.099 2.257 0.628) 2.344 24.622 ( 1.213 -0.277 0.192) 1.259 24.622 ( 1.213 0.277 0.192) 1.259 24.976 ( -1.747 -0.413 1.045) 2.077 24.976 ( -1.747 0.413 1.045) 2.077 25.805 ( 4.920 -0.810 -0.217) 4.990 25.805 ( 4.920 0.810 -0.217) 4.990 26.122 ( 3.920 -2.073 -0.602) 4.475 26.122 ( 3.920 2.073 -0.602) 4.475 28.332 ( -1.818 -0.175 1.577) 2.413 28.332 ( -1.818 0.175 1.577) 2.413 28.573 ( 2.823 -1.098 -1.245) 3.275 28.573 ( 2.823 1.098 -1.245) 3.275 28.621 ( -1.466 -0.729 1.430) 2.174 28.621 ( -1.466 0.729 1.430) 2.174 28.760 ( -1.363 -1.380 -0.691) 2.060 28.760 ( -1.363 1.380 -0.691) 2.060 32.379 ( -0.022 -1.135 0.927) 1.465 32.379 ( -0.022 1.135 0.927) 1.465 32.508 ( 0.277 -1.845 -0.543) 1.943 32.508 ( 0.277 1.845 -0.543) 1.943 35.420 ( -0.760 -1.240 0.554) 1.556 35.420 ( -0.760 1.240 0.554) 1.556 35.568 ( 0.423 -0.641 -0.631) 0.994 35.568 ( 0.423 0.641 -0.631) 0.994 88.832 ( -0.987 -1.223 0.012) 1.572 88.832 ( -0.987 1.223 0.012) 1.572 89.082 ( -5.768 -3.672 0.983) 6.909 89.082 ( -5.768 3.672 0.983) 6.909 97.663 ( -1.198 -0.258 -0.327) 1.268 97.663 ( -1.198 0.258 -0.327) 1.268 97.709 ( -2.012 -1.628 0.100) 2.590 97.709 ( -2.012 1.628 0.100) 2.590 98.705 ( -0.642 -0.564 0.503) 0.992 98.705 ( -0.642 0.564 0.503) 0.992 99.022 ( 5.039 -2.569 -2.147) 6.049 99.022 ( 5.039 2.569 -2.147) 6.049 99.684 ( 0.623 -1.826 -1.363) 2.362 99.684 ( 0.623 1.826 -1.363) 2.362 99.923 ( -2.501 -5.436 1.729) 6.229 99.923 ( -2.501 5.436 1.729) 6.229 ======================= Grid point 169 (92/92) ======================= q-point: (-0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.828 -1.308 10.515) 10.628 1.484 ( 0.828 1.308 10.515) 10.628 1.645 ( -5.351 -8.207 6.060) 11.520 1.645 ( -5.351 8.207 6.060) 11.520 1.884 ( 2.199 -3.201 -4.901) 6.253 1.884 ( 2.199 3.201 -4.901) 6.253 2.007 ( -1.801 -8.610 -2.420) 9.123 2.007 ( -1.801 8.610 -2.420) 9.123 2.342 ( -7.707 -12.032 2.442) 14.495 2.342 ( -7.707 12.032 2.442) 14.495 2.561 ( 2.425 -1.908 1.357) 3.371 2.561 ( 2.425 1.908 1.357) 3.371 2.668 ( 0.896 -6.526 3.526) 7.472 2.668 ( 0.896 6.526 3.526) 7.472 2.741 ( 1.983 -1.622 6.828) 7.293 2.741 ( 1.983 1.622 6.828) 7.293 3.026 ( 2.710 -4.169 1.168) 5.107 3.026 ( 2.710 4.169 1.168) 5.107 3.079 ( -1.631 -1.202 -9.624) 9.835 3.079 ( -1.631 1.202 -9.624) 9.835 3.374 ( 2.100 -3.685 -3.345) 5.402 3.374 ( 2.100 3.685 -3.345) 5.402 3.516 ( -2.701 -0.907 -4.969) 5.728 3.516 ( -2.701 0.907 -4.969) 5.728 4.350 ( 0.241 -4.388 2.448) 5.030 4.350 ( 0.241 4.388 2.448) 5.030 4.570 ( 0.994 -4.206 -3.126) 5.335 4.570 ( 0.994 4.206 -3.126) 5.335 5.001 ( 3.736 -3.932 2.657) 6.040 5.001 ( 3.736 3.932 2.657) 6.040 5.190 ( 4.440 -4.794 -3.129) 7.245 5.190 ( 4.440 4.794 -3.129) 7.245 5.336 ( 4.105 -2.067 1.020) 4.708 5.336 ( 4.105 2.067 1.020) 4.708 5.433 ( 0.470 -3.927 1.909) 4.392 5.433 ( 0.470 3.927 1.909) 4.392 5.584 ( -2.694 -2.799 3.756) 5.404 5.584 ( -2.694 2.799 3.756) 5.404 5.766 ( 0.037 -2.460 -3.372) 4.175 5.766 ( 0.037 2.460 -3.372) 4.175 6.069 ( 3.003 -2.463 1.700) 4.240 6.069 ( 3.003 2.463 1.700) 4.240 6.195 ( 0.010 -2.808 -1.800) 3.336 6.195 ( 0.010 2.808 -1.800) 3.336 6.473 ( -1.222 -2.555 2.621) 3.858 6.473 ( -1.222 2.555 2.621) 3.858 6.802 ( 7.569 -10.461 -5.767) 14.141 6.802 ( 7.569 10.461 -5.767) 14.141 7.062 ( -0.737 -3.632 -3.070) 4.812 7.062 ( -0.737 3.632 -3.070) 4.812 7.344 ( -0.033 -5.904 -2.126) 6.275 7.344 ( -0.033 5.904 -2.126) 6.275 7.788 ( 9.786 -6.463 8.701) 14.603 7.788 ( 9.786 6.463 8.701) 14.603 8.200 ( 7.264 -5.985 -0.497) 9.425 8.200 ( 7.264 5.985 -0.497) 9.425 8.422 ( -7.266 -5.638 0.052) 9.197 8.422 ( -7.266 5.638 0.052) 9.197 8.788 ( 5.640 -3.309 3.506) 7.420 8.788 ( 5.640 3.309 3.506) 7.420 8.924 ( -4.819 -4.556 -3.754) 7.620 8.924 ( -4.819 4.556 -3.754) 7.620 9.231 ( -8.114 -4.087 4.899) 10.322 9.231 ( -8.114 4.087 4.899) 10.322 9.386 ( -5.474 -3.768 1.741) 6.870 9.386 ( -5.474 3.768 1.741) 6.870 9.685 ( -0.221 -4.805 -5.239) 7.113 9.685 ( -0.221 4.805 -5.239) 7.113 10.402 ( -2.793 -3.255 -1.675) 4.605 10.402 ( -2.793 3.255 -1.675) 4.605 10.651 ( -0.514 -2.300 0.410) 2.392 10.651 ( -0.514 2.300 0.410) 2.392 20.610 ( 1.310 -1.468 -1.198) 2.304 20.610 ( 1.310 1.468 -1.198) 2.304 20.939 ( 1.664 -0.594 -0.031) 1.768 20.939 ( 1.664 0.594 -0.031) 1.768 22.804 ( 0.657 -1.904 0.152) 2.020 22.804 ( 0.657 1.904 0.152) 2.020 23.082 ( -0.671 -1.732 -0.365) 1.893 23.082 ( -0.671 1.732 -0.365) 1.893 24.641 ( 0.760 -0.267 0.213) 0.833 24.641 ( 0.760 0.267 0.213) 0.833 24.964 ( -1.060 -0.475 1.130) 1.621 24.964 ( -1.060 0.475 1.130) 1.621 25.876 ( 3.486 -0.482 -0.138) 3.522 25.876 ( 3.486 0.482 -0.138) 3.522 26.166 ( 2.219 -2.385 -1.078) 3.431 26.166 ( 2.219 2.385 -1.078) 3.431 28.331 ( -0.582 -0.548 1.718) 1.895 28.331 ( -0.582 0.548 1.718) 1.895 28.603 ( 1.156 -1.016 0.020) 1.540 28.603 ( 1.156 1.016 0.020) 1.540 28.617 ( -0.143 -0.473 1.263) 1.356 28.617 ( -0.143 0.473 1.263) 1.356 28.723 ( -1.556 -0.805 -1.382) 2.231 28.723 ( -1.556 0.805 -1.382) 2.231 32.390 ( -0.044 -1.147 1.162) 1.633 32.390 ( -0.044 1.147 1.162) 1.633 32.507 ( 0.333 -1.889 -0.641) 2.022 32.507 ( 0.333 1.889 -0.641) 2.022 35.417 ( -0.335 -1.219 0.624) 1.410 35.417 ( -0.335 1.219 0.624) 1.410 35.564 ( 0.081 -0.846 -0.889) 1.229 35.564 ( 0.081 0.846 -0.889) 1.229 88.825 ( -0.235 -1.582 0.570) 1.698 88.825 ( -0.235 1.582 0.570) 1.698 88.993 ( -5.076 -2.942 0.251) 5.872 88.993 ( -5.076 2.942 0.251) 5.872 97.646 ( -0.500 -0.393 -0.188) 0.663 97.646 ( -0.500 0.393 -0.188) 0.663 97.676 ( -1.720 -0.912 -0.124) 1.951 97.676 ( -1.720 0.912 -0.124) 1.951 98.708 ( -0.009 -0.587 0.918) 1.090 98.708 ( -0.009 0.587 0.918) 1.090 99.055 ( 2.504 -2.642 -3.397) 4.978 99.055 ( 2.504 2.642 -3.397) 4.978 99.707 ( 2.580 -1.980 0.592) 3.306 99.707 ( 2.580 1.980 0.592) 3.306 99.888 ( -3.138 -5.469 0.751) 6.349 99.888 ( -3.138 5.469 0.751) 6.349 =================== 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 3/32400 10.0 257.161 246.898 216.398 0.000 -16.227 0.000 3/32400 20.0 53.775 41.601 44.891 0.000 -4.815 0.000 3/32400 30.0 24.308 17.957 20.866 0.000 -2.368 0.000 3/32400 40.0 14.033 10.230 12.312 0.000 -1.349 0.000 3/32400 50.0 9.227 6.693 8.198 0.000 -0.866 0.000 3/32400 60.0 6.627 4.797 5.932 0.000 -0.611 0.000 3/32400 70.0 5.073 3.669 4.562 0.000 -0.461 0.000 3/32400 80.0 4.072 2.943 3.673 0.000 -0.366 0.000 3/32400 90.0 3.387 2.448 3.061 0.000 -0.302 0.000 3/32400 100.0 2.895 2.092 2.620 0.000 -0.256 0.000 3/32400 110.0 2.527 1.826 2.290 0.000 -0.222 0.000 3/32400 120.0 2.243 1.621 2.033 0.000 -0.196 0.000 3/32400 130.0 2.017 1.458 1.830 0.000 -0.176 0.000 3/32400 140.0 1.834 1.325 1.664 0.000 -0.159 0.000 3/32400 150.0 1.682 1.216 1.527 0.000 -0.145 0.000 3/32400 160.0 1.554 1.123 1.411 0.000 -0.134 0.000 3/32400 170.0 1.445 1.045 1.312 0.000 -0.124 0.000 3/32400 180.0 1.351 0.977 1.226 0.000 -0.116 0.000 3/32400 190.0 1.269 0.917 1.152 0.000 -0.109 0.000 3/32400 200.0 1.196 0.865 1.086 0.000 -0.102 0.000 3/32400 210.0 1.132 0.818 1.027 0.000 -0.096 0.000 3/32400 220.0 1.074 0.777 0.975 0.000 -0.091 0.000 3/32400 230.0 1.022 0.739 0.927 0.000 -0.087 0.000 3/32400 240.0 0.975 0.705 0.885 0.000 -0.083 0.000 3/32400 250.0 0.932 0.674 0.846 0.000 -0.079 0.000 3/32400 260.0 0.893 0.646 0.810 0.000 -0.076 0.000 3/32400 270.0 0.857 0.620 0.778 0.000 -0.073 0.000 3/32400 280.0 0.824 0.596 0.748 0.000 -0.070 0.000 3/32400 290.0 0.794 0.574 0.720 0.000 -0.067 0.000 3/32400 300.0 0.765 0.554 0.694 0.000 -0.065 0.000 3/32400 310.0 0.739 0.535 0.670 0.000 -0.062 0.000 3/32400 320.0 0.715 0.517 0.648 0.000 -0.060 0.000 3/32400 330.0 0.692 0.501 0.627 0.000 -0.058 0.000 3/32400 340.0 0.670 0.485 0.608 0.000 -0.057 0.000 3/32400 350.0 0.650 0.470 0.589 0.000 -0.055 0.000 3/32400 360.0 0.631 0.457 0.572 0.000 -0.053 0.000 3/32400 370.0 0.613 0.444 0.556 0.000 -0.052 0.000 3/32400 380.0 0.596 0.432 0.540 0.000 -0.050 0.000 3/32400 390.0 0.580 0.420 0.526 0.000 -0.049 0.000 3/32400 400.0 0.565 0.409 0.512 0.000 -0.048 0.000 3/32400 410.0 0.551 0.399 0.499 0.000 -0.046 0.000 3/32400 420.0 0.537 0.389 0.487 0.000 -0.045 0.000 3/32400 430.0 0.524 0.380 0.475 0.000 -0.044 0.000 3/32400 440.0 0.512 0.371 0.464 0.000 -0.043 0.000 3/32400 450.0 0.500 0.362 0.453 0.000 -0.042 0.000 3/32400 460.0 0.489 0.354 0.443 0.000 -0.041 0.000 3/32400 470.0 0.478 0.346 0.433 0.000 -0.040 0.000 3/32400 480.0 0.468 0.339 0.424 0.000 -0.039 0.000 3/32400 490.0 0.458 0.332 0.415 0.000 -0.039 0.000 3/32400 500.0 0.449 0.325 0.406 0.000 -0.038 0.000 3/32400 510.0 0.440 0.318 0.398 0.000 -0.037 0.000 3/32400 520.0 0.431 0.312 0.390 0.000 -0.036 0.000 3/32400 530.0 0.423 0.306 0.383 0.000 -0.036 0.000 3/32400 540.0 0.415 0.300 0.376 0.000 -0.035 0.000 3/32400 550.0 0.407 0.295 0.369 0.000 -0.034 0.000 3/32400 560.0 0.400 0.289 0.362 0.000 -0.034 0.000 3/32400 570.0 0.392 0.284 0.355 0.000 -0.033 0.000 3/32400 580.0 0.386 0.279 0.349 0.000 -0.032 0.000 3/32400 590.0 0.379 0.274 0.343 0.000 -0.032 0.000 3/32400 600.0 0.372 0.270 0.337 0.000 -0.031 0.000 3/32400 610.0 0.366 0.265 0.332 0.000 -0.031 0.000 3/32400 620.0 0.360 0.261 0.326 0.000 -0.030 0.000 3/32400 630.0 0.354 0.257 0.321 0.000 -0.030 0.000 3/32400 640.0 0.349 0.253 0.316 0.000 -0.029 0.000 3/32400 650.0 0.343 0.249 0.311 0.000 -0.029 0.000 3/32400 660.0 0.338 0.245 0.306 0.000 -0.028 0.000 3/32400 670.0 0.333 0.241 0.301 0.000 -0.028 0.000 3/32400 680.0 0.328 0.238 0.297 0.000 -0.028 0.000 3/32400 690.0 0.323 0.234 0.292 0.000 -0.027 0.000 3/32400 700.0 0.319 0.231 0.288 0.000 -0.027 0.000 3/32400 710.0 0.314 0.227 0.284 0.000 -0.026 0.000 3/32400 720.0 0.310 0.224 0.280 0.000 -0.026 0.000 3/32400 730.0 0.305 0.221 0.276 0.000 -0.026 0.000 3/32400 740.0 0.301 0.218 0.272 0.000 -0.025 0.000 3/32400 750.0 0.297 0.215 0.269 0.000 -0.025 0.000 3/32400 760.0 0.293 0.212 0.265 0.000 -0.025 0.000 3/32400 770.0 0.289 0.210 0.262 0.000 -0.024 0.000 3/32400 780.0 0.286 0.207 0.258 0.000 -0.024 0.000 3/32400 790.0 0.282 0.204 0.255 0.000 -0.024 0.000 3/32400 800.0 0.278 0.202 0.252 0.000 -0.023 0.000 3/32400 810.0 0.275 0.199 0.249 0.000 -0.023 0.000 3/32400 820.0 0.271 0.197 0.246 0.000 -0.023 0.000 3/32400 830.0 0.268 0.194 0.243 0.000 -0.023 0.000 3/32400 840.0 0.265 0.192 0.240 0.000 -0.022 0.000 3/32400 850.0 0.262 0.190 0.237 0.000 -0.022 0.000 3/32400 860.0 0.259 0.187 0.234 0.000 -0.022 0.000 3/32400 870.0 0.256 0.185 0.231 0.000 -0.022 0.000 3/32400 880.0 0.253 0.183 0.229 0.000 -0.021 0.000 3/32400 890.0 0.250 0.181 0.226 0.000 -0.021 0.000 3/32400 900.0 0.247 0.179 0.224 0.000 -0.021 0.000 3/32400 910.0 0.244 0.177 0.221 0.000 -0.021 0.000 3/32400 920.0 0.242 0.175 0.219 0.000 -0.020 0.000 3/32400 930.0 0.239 0.173 0.216 0.000 -0.020 0.000 3/32400 940.0 0.237 0.171 0.214 0.000 -0.020 0.000 3/32400 950.0 0.234 0.170 0.212 0.000 -0.020 0.000 3/32400 960.0 0.232 0.168 0.210 0.000 -0.020 0.000 3/32400 970.0 0.229 0.166 0.207 0.000 -0.019 0.000 3/32400 980.0 0.227 0.164 0.205 0.000 -0.019 0.000 3/32400 990.0 0.225 0.163 0.203 0.000 -0.019 0.000 3/32400 1000.0 0.222 0.161 0.201 0.000 -0.019 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m965.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:57:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|