----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:31:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.133573490036293 0.000000000000000 0.000000000000000 b 0.000000000000000 7.664756219999998 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): *1 O 0.24002151275877 0.68145786398187 0.07345450843664 15.999 2 O 0.75997848724123 0.18145786398187 0.42654549156336 15.999 3 O 0.75997848724123 0.31854213601813 0.92654549156336 15.999 4 O 0.24002151275877 0.81854213601813 0.57345450843664 15.999 *5 O 0.35924182181716 0.67287642537846 0.86311208988588 15.999 6 O 0.64075817818284 0.17287642537846 0.63688791011412 15.999 7 O 0.64075817818284 0.32712357462154 0.13688791011412 15.999 8 O 0.35924182181716 0.82712357462154 0.36311208988588 15.999 *9 O 0.83273251378112 0.74026137209502 0.81110071012593 15.999 10 O 0.16726748621888 0.24026137209502 0.68889928987407 15.999 11 O 0.16726748621888 0.25973862790498 0.18889928987407 15.999 12 O 0.83273251378112 0.75973862790498 0.31110071012593 15.999 *13 O 0.77593985083527 0.99102399278263 0.06584840121913 15.999 14 O 0.22406014916473 0.49102399278263 0.43415159878087 15.999 15 O 0.22406014916473 0.00897600721737 0.93415159878087 15.999 16 O 0.77593985083527 0.50897600721737 0.56584840121913 15.999 *17 Ti 0.15671911184794 0.77949579480190 0.91729399452528 47.867 18 Ti 0.84328088815206 0.27949579480190 0.58270600547472 47.867 19 Ti 0.84328088815206 0.22050420519810 0.08270600547472 47.867 20 Ti 0.15671911184794 0.72050420519810 0.41729399452528 47.867 *21 Ba 0.52378993898131 0.00043143900274 0.80167546178300 137.327 22 Ba 0.47621006101869 0.50043143900274 0.69832453821700 137.327 23 Ba 0.47621006101869 0.99956856099726 0.19832453821700 137.327 24 Ba 0.52378993898131 0.49956856099726 0.30167546178300 137.327 *25 Ba 0.19442853701867 0.34233969781106 0.92603962511589 137.327 26 Ba 0.80557146298133 0.84233969781106 0.57396037488411 137.327 27 Ba 0.80557146298133 0.65766030218894 0.07396037488411 137.327 28 Ba 0.19442853701867 0.15766030218894 0.42603962511589 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.133573490036293 0.000000000000000 0.000000000000000 b 0.000000000000000 7.664756219999998 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): *1 O 0.24002151275877 0.68145786398187 0.07345450843664 15.999 > 1 2 O 0.75997848724123 0.18145786398187 0.42654549156336 15.999 > 2 3 O 0.75997848724123 0.31854213601813 0.92654549156336 15.999 > 3 4 O 0.24002151275877 0.81854213601813 0.57345450843664 15.999 > 4 *5 O 0.35924182181716 0.67287642537846 0.86311208988588 15.999 > 5 6 O 0.64075817818284 0.17287642537846 0.63688791011412 15.999 > 6 7 O 0.64075817818284 0.32712357462154 0.13688791011412 15.999 > 7 8 O 0.35924182181716 0.82712357462154 0.36311208988588 15.999 > 8 *9 O 0.83273251378112 0.74026137209502 0.81110071012593 15.999 > 9 10 O 0.16726748621888 0.24026137209502 0.68889928987407 15.999 > 10 11 O 0.16726748621888 0.25973862790498 0.18889928987407 15.999 > 11 12 O 0.83273251378112 0.75973862790498 0.31110071012593 15.999 > 12 *13 O 0.77593985083527 0.99102399278263 0.06584840121913 15.999 > 13 14 O 0.22406014916473 0.49102399278263 0.43415159878087 15.999 > 14 15 O 0.22406014916473 0.00897600721737 0.93415159878087 15.999 > 15 16 O 0.77593985083527 0.50897600721737 0.56584840121913 15.999 > 16 *17 Ti 0.15671911184794 0.77949579480190 0.91729399452528 47.867 > 17 18 Ti 0.84328088815206 0.27949579480190 0.58270600547472 47.867 > 18 19 Ti 0.84328088815206 0.22050420519810 0.08270600547472 47.867 > 19 20 Ti 0.15671911184794 0.72050420519810 0.41729399452528 47.867 > 20 *21 Ba 0.52378993898131 0.00043143900274 0.80167546178300 137.327 > 21 22 Ba 0.47621006101869 0.50043143900274 0.69832453821700 137.327 > 22 23 Ba 0.47621006101869 0.99956856099726 0.19832453821700 137.327 > 23 24 Ba 0.52378993898131 0.49956856099726 0.30167546178300 137.327 > 24 *25 Ba 0.19442853701867 0.34233969781106 0.92603962511589 137.327 > 25 26 Ba 0.80557146298133 0.84233969781106 0.57396037488411 137.327 > 26 27 Ba 0.80557146298133 0.65766030218894 0.07396037488411 137.327 > 27 28 Ba 0.19442853701867 0.15766030218894 0.42603962511589 137.327 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.267146980072585 0.000000000000000 0.000000000000000 b 0.000000000000000 15.329512439999997 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): *1 O 0.12001075637939 0.34072893199094 0.07345450843664 15.999 > 1 2 O 0.62001075637938 0.34072893199094 0.07345450843664 15.999 > 1 3 O 0.12001075637939 0.84072893199094 0.07345450843664 15.999 > 1 4 O 0.62001075637938 0.84072893199094 0.07345450843664 15.999 > 1 5 O 0.37998924362061 0.09072893199094 0.42654549156336 15.999 > 2 6 O 0.87998924362061 0.09072893199094 0.42654549156336 15.999 > 2 7 O 0.37998924362061 0.59072893199094 0.42654549156336 15.999 > 2 8 O 0.87998924362061 0.59072893199094 0.42654549156336 15.999 > 2 9 O 0.37998924362061 0.15927106800906 0.92654549156336 15.999 > 3 10 O 0.87998924362061 0.15927106800906 0.92654549156336 15.999 > 3 11 O 0.37998924362061 0.65927106800906 0.92654549156336 15.999 > 3 12 O 0.87998924362061 0.65927106800906 0.92654549156336 15.999 > 3 13 O 0.12001075637939 0.40927106800906 0.57345450843664 15.999 > 4 14 O 0.62001075637938 0.40927106800906 0.57345450843664 15.999 > 4 15 O 0.12001075637939 0.90927106800906 0.57345450843664 15.999 > 4 16 O 0.62001075637938 0.90927106800906 0.57345450843664 15.999 > 4 *17 O 0.17962091090858 0.33643821268923 0.86311208988588 15.999 > 5 18 O 0.67962091090858 0.33643821268923 0.86311208988588 15.999 > 5 19 O 0.17962091090858 0.83643821268923 0.86311208988588 15.999 > 5 20 O 0.67962091090858 0.83643821268923 0.86311208988588 15.999 > 5 21 O 0.32037908909142 0.08643821268923 0.63688791011412 15.999 > 6 22 O 0.82037908909142 0.08643821268923 0.63688791011412 15.999 > 6 23 O 0.32037908909142 0.58643821268923 0.63688791011412 15.999 > 6 24 O 0.82037908909142 0.58643821268923 0.63688791011412 15.999 > 6 25 O 0.32037908909142 0.16356178731077 0.13688791011412 15.999 > 7 26 O 0.82037908909142 0.16356178731077 0.13688791011412 15.999 > 7 27 O 0.32037908909142 0.66356178731077 0.13688791011412 15.999 > 7 28 O 0.82037908909142 0.66356178731077 0.13688791011412 15.999 > 7 29 O 0.17962091090858 0.41356178731077 0.36311208988588 15.999 > 8 30 O 0.67962091090858 0.41356178731077 0.36311208988588 15.999 > 8 31 O 0.17962091090858 0.91356178731077 0.36311208988588 15.999 > 8 32 O 0.67962091090858 0.91356178731077 0.36311208988588 15.999 > 8 *33 O 0.41636625689056 0.37013068604751 0.81110071012593 15.999 > 9 34 O 0.91636625689056 0.37013068604751 0.81110071012593 15.999 > 9 35 O 0.41636625689056 0.87013068604751 0.81110071012593 15.999 > 9 36 O 0.91636625689056 0.87013068604751 0.81110071012593 15.999 > 9 37 O 0.08363374310944 0.12013068604751 0.68889928987407 15.999 > 10 38 O 0.58363374310944 0.12013068604751 0.68889928987407 15.999 > 10 39 O 0.08363374310944 0.62013068604751 0.68889928987407 15.999 > 10 40 O 0.58363374310944 0.62013068604751 0.68889928987407 15.999 > 10 41 O 0.08363374310944 0.12986931395249 0.18889928987407 15.999 > 11 42 O 0.58363374310944 0.12986931395249 0.18889928987407 15.999 > 11 43 O 0.08363374310944 0.62986931395249 0.18889928987407 15.999 > 11 44 O 0.58363374310944 0.62986931395249 0.18889928987407 15.999 > 11 45 O 0.41636625689056 0.37986931395249 0.31110071012593 15.999 > 12 46 O 0.91636625689056 0.37986931395249 0.31110071012593 15.999 > 12 47 O 0.41636625689056 0.87986931395249 0.31110071012593 15.999 > 12 48 O 0.91636625689056 0.87986931395249 0.31110071012593 15.999 > 12 *49 O 0.38796992541763 0.49551199639131 0.06584840121913 15.999 > 13 50 O 0.88796992541763 0.49551199639131 0.06584840121913 15.999 > 13 51 O 0.38796992541763 0.99551199639131 0.06584840121913 15.999 > 13 52 O 0.88796992541763 0.99551199639131 0.06584840121913 15.999 > 13 53 O 0.11203007458236 0.24551199639131 0.43415159878087 15.999 > 14 54 O 0.61203007458237 0.24551199639131 0.43415159878087 15.999 > 14 55 O 0.11203007458236 0.74551199639131 0.43415159878087 15.999 > 14 56 O 0.61203007458237 0.74551199639131 0.43415159878087 15.999 > 14 57 O 0.11203007458236 0.00448800360869 0.93415159878087 15.999 > 15 58 O 0.61203007458237 0.00448800360869 0.93415159878087 15.999 > 15 59 O 0.11203007458236 0.50448800360869 0.93415159878087 15.999 > 15 60 O 0.61203007458237 0.50448800360869 0.93415159878087 15.999 > 15 61 O 0.38796992541763 0.25448800360869 0.56584840121913 15.999 > 16 62 O 0.88796992541763 0.25448800360869 0.56584840121913 15.999 > 16 63 O 0.38796992541763 0.75448800360869 0.56584840121913 15.999 > 16 64 O 0.88796992541763 0.75448800360869 0.56584840121913 15.999 > 16 *65 Ti 0.07835955592397 0.38974789740095 0.91729399452528 47.867 > 17 66 Ti 0.57835955592397 0.38974789740095 0.91729399452528 47.867 > 17 67 Ti 0.07835955592397 0.88974789740095 0.91729399452528 47.867 > 17 68 Ti 0.57835955592397 0.88974789740095 0.91729399452528 47.867 > 17 69 Ti 0.42164044407603 0.13974789740095 0.58270600547472 47.867 > 18 70 Ti 0.92164044407603 0.13974789740095 0.58270600547472 47.867 > 18 71 Ti 0.42164044407603 0.63974789740095 0.58270600547472 47.867 > 18 72 Ti 0.92164044407603 0.63974789740095 0.58270600547472 47.867 > 18 73 Ti 0.42164044407603 0.11025210259905 0.08270600547472 47.867 > 19 74 Ti 0.92164044407603 0.11025210259905 0.08270600547472 47.867 > 19 75 Ti 0.42164044407603 0.61025210259905 0.08270600547472 47.867 > 19 76 Ti 0.92164044407603 0.61025210259905 0.08270600547472 47.867 > 19 77 Ti 0.07835955592397 0.36025210259905 0.41729399452528 47.867 > 20 78 Ti 0.57835955592397 0.36025210259905 0.41729399452528 47.867 > 20 79 Ti 0.07835955592397 0.86025210259905 0.41729399452528 47.867 > 20 80 Ti 0.57835955592397 0.86025210259905 0.41729399452528 47.867 > 20 *81 Ba 0.26189496949065 0.00021571950137 0.80167546178300 137.327 > 21 82 Ba 0.76189496949065 0.00021571950137 0.80167546178300 137.327 > 21 83 Ba 0.26189496949065 0.50021571950137 0.80167546178300 137.327 > 21 84 Ba 0.76189496949065 0.50021571950137 0.80167546178300 137.327 > 21 85 Ba 0.23810503050935 0.25021571950137 0.69832453821700 137.327 > 22 86 Ba 0.73810503050935 0.25021571950137 0.69832453821700 137.327 > 22 87 Ba 0.23810503050935 0.75021571950137 0.69832453821700 137.327 > 22 88 Ba 0.73810503050935 0.75021571950137 0.69832453821700 137.327 > 22 89 Ba 0.23810503050935 0.49978428049863 0.19832453821700 137.327 > 23 90 Ba 0.73810503050935 0.49978428049863 0.19832453821700 137.327 > 23 91 Ba 0.23810503050935 0.99978428049863 0.19832453821700 137.327 > 23 92 Ba 0.73810503050935 0.99978428049863 0.19832453821700 137.327 > 23 93 Ba 0.26189496949065 0.24978428049863 0.30167546178300 137.327 > 24 94 Ba 0.76189496949065 0.24978428049863 0.30167546178300 137.327 > 24 95 Ba 0.26189496949065 0.74978428049863 0.30167546178300 137.327 > 24 96 Ba 0.76189496949065 0.74978428049863 0.30167546178300 137.327 > 24 *97 Ba 0.09721426850934 0.17116984890553 0.92603962511589 137.327 > 25 98 Ba 0.59721426850934 0.17116984890553 0.92603962511589 137.327 > 25 99 Ba 0.09721426850934 0.67116984890553 0.92603962511589 137.327 > 25 100 Ba 0.59721426850934 0.67116984890553 0.92603962511589 137.327 > 25 101 Ba 0.40278573149066 0.42116984890553 0.57396037488411 137.327 > 26 102 Ba 0.90278573149066 0.42116984890553 0.57396037488411 137.327 > 26 103 Ba 0.40278573149066 0.92116984890553 0.57396037488411 137.327 > 26 104 Ba 0.90278573149066 0.92116984890553 0.57396037488411 137.327 > 26 105 Ba 0.40278573149066 0.32883015109447 0.07396037488411 137.327 > 27 106 Ba 0.90278573149066 0.32883015109447 0.07396037488411 137.327 > 27 107 Ba 0.40278573149066 0.82883015109447 0.07396037488411 137.327 > 27 108 Ba 0.90278573149066 0.82883015109447 0.07396037488411 137.327 > 27 109 Ba 0.09721426850934 0.07883015109447 0.42603962511589 137.327 > 28 110 Ba 0.59721426850934 0.07883015109447 0.42603962511589 137.327 > 28 111 Ba 0.09721426850934 0.57883015109447 0.42603962511589 137.327 > 28 112 Ba 0.59721426850934 0.57883015109447 0.42603962511589 137.327 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9748407 0.0000000 0.0410520 0.0000000 4.0602872 0.0000000 0.0410480 0.0000000 3.8554651 -------------------------- Born effective charges -------------------------- 1 O -1.8063270 -0.1994447 0.2649683 -0.1815977 -1.8903064 0.6499245 0.2174261 0.5258367 -2.7595093 2 O -1.8063270 0.1994447 0.2649683 0.1815977 -1.8903064 -0.6499245 0.2174261 -0.5258367 -2.7595093 3 O -1.8063270 -0.1994447 0.2649683 -0.1815977 -1.8903064 0.6499245 0.2174261 0.5258367 -2.7595093 4 O -1.8063270 0.1994447 0.2649683 0.1815977 -1.8903064 -0.6499245 0.2174261 -0.5258367 -2.7595093 5 O -2.8791369 0.6209415 0.4547640 0.5845807 -2.0326153 -0.3025232 0.4233791 -0.2102616 -1.6850619 6 O -2.8791369 -0.6209415 0.4547640 -0.5845807 -2.0326153 0.3025232 0.4233791 0.2102616 -1.6850619 7 O -2.8791369 0.6209415 0.4547640 0.5845807 -2.0326153 -0.3025232 0.4233791 -0.2102616 -1.6850619 8 O -2.8791369 -0.6209415 0.4547640 -0.5845807 -2.0326153 0.3025232 0.4233791 0.2102616 -1.6850619 9 O -2.7416492 -0.2352932 -0.8982880 -0.2000293 -1.5784750 -0.3167126 -0.9074733 -0.1144928 -2.3257770 10 O -2.7416492 0.2352932 -0.8982880 0.2000293 -1.5784750 0.3167126 -0.9074733 0.1144928 -2.3257770 11 O -2.7416492 -0.2352932 -0.8982880 -0.2000293 -1.5784750 -0.3167126 -0.9074733 -0.1144928 -2.3257770 12 O -2.7416492 0.2352932 -0.8982880 0.2000293 -1.5784750 0.3167126 -0.9074733 0.1144928 -2.3257770 13 O -1.3463876 -0.3044388 0.0670572 -0.3608569 -3.6310057 -0.2641077 0.0885854 -0.1793108 -1.4949279 14 O -1.3463876 0.3044388 0.0670572 0.3608569 -3.6310057 0.2641077 0.0885854 0.1793108 -1.4949279 15 O -1.3463876 -0.3044388 0.0670572 -0.3608569 -3.6310057 -0.2641077 0.0885854 -0.1793108 -1.4949279 16 O -1.3463876 0.3044388 0.0670572 0.3608569 -3.6310057 0.2641077 0.0885854 0.1793108 -1.4949279 17 Ti 3.3004832 0.0076771 0.0978000 0.0437484 3.3594665 0.0461039 0.2238398 0.0047768 2.8327542 18 Ti 3.3004832 -0.0076771 0.0978000 -0.0437484 3.3594665 -0.0461039 0.2238398 -0.0047768 2.8327542 19 Ti 3.3004832 0.0076771 0.0978000 0.0437484 3.3594665 0.0461039 0.2238398 0.0047768 2.8327542 20 Ti 3.3004832 -0.0076771 0.0978000 -0.0437484 3.3594665 -0.0461039 0.2238398 -0.0047768 2.8327542 21 Ba 2.7700082 -0.1273769 -0.1336265 0.0510827 2.6355842 -0.0377897 0.0253201 -0.1771975 2.9879643 22 Ba 2.7700082 0.1273769 -0.1336265 -0.0510827 2.6355842 0.0377897 0.0253201 0.1771975 2.9879643 23 Ba 2.7700082 -0.1273769 -0.1336265 0.0510827 2.6355842 -0.0377897 0.0253201 -0.1771975 2.9879643 24 Ba 2.7700082 0.1273769 -0.1336265 -0.0510827 2.6355842 0.0377897 0.0253201 0.1771975 2.9879643 25 Ba 2.7030093 0.0757363 0.1473250 0.0659318 3.1373517 0.0076760 -0.0710772 0.0763805 2.4445576 26 Ba 2.7030093 -0.0757363 0.1473250 -0.0659318 3.1373517 -0.0076760 -0.0710772 -0.0763805 2.4445576 27 Ba 2.7030093 0.0757363 0.1473250 0.0659318 3.1373517 0.0076760 -0.0710772 0.0763805 2.4445576 28 Ba 2.7030093 -0.0757363 0.1473250 -0.0659318 3.1373517 -0.0076760 -0.0710772 -0.0763805 2.4445576 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.904 Solver_block: 200 / 880 - Time: 0.807 Solver_block: 300 / 880 - Time: 0.814 Solver_block: 400 / 880 - Time: 0.817 Solver_block: 500 / 880 - Time: 0.813 Solver_block: 600 / 880 - Time: 0.817 Solver_block: 700 / 880 - Time: 0.824 Solver_block: 800 / 880 - Time: 0.821 Solver_block: 880 / 880 - Time: 0.673 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.464 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:31:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:50]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.133573490036293 0.000000000000000 0.000000000000000 b 0.000000000000000 7.664756219999998 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): 1 O 0.24002151275877 0.68145786398187 0.07345450843664 15.999 2 O 0.75997848724123 0.18145786398187 0.42654549156336 15.999 3 O 0.75997848724123 0.31854213601813 0.92654549156336 15.999 4 O 0.24002151275877 0.81854213601813 0.57345450843664 15.999 5 O 0.35924182181716 0.67287642537846 0.86311208988588 15.999 6 O 0.64075817818284 0.17287642537846 0.63688791011412 15.999 7 O 0.64075817818284 0.32712357462154 0.13688791011412 15.999 8 O 0.35924182181716 0.82712357462154 0.36311208988588 15.999 9 O 0.83273251378112 0.74026137209502 0.81110071012593 15.999 10 O 0.16726748621888 0.24026137209502 0.68889928987407 15.999 11 O 0.16726748621888 0.25973862790498 0.18889928987407 15.999 12 O 0.83273251378112 0.75973862790498 0.31110071012593 15.999 13 O 0.77593985083527 0.99102399278263 0.06584840121913 15.999 14 O 0.22406014916473 0.49102399278263 0.43415159878087 15.999 15 O 0.22406014916473 0.00897600721737 0.93415159878087 15.999 16 O 0.77593985083527 0.50897600721737 0.56584840121913 15.999 17 Ti 0.15671911184794 0.77949579480190 0.91729399452528 47.867 18 Ti 0.84328088815206 0.27949579480190 0.58270600547472 47.867 19 Ti 0.84328088815206 0.22050420519810 0.08270600547472 47.867 20 Ti 0.15671911184794 0.72050420519810 0.41729399452528 47.867 21 Ba 0.52378993898131 0.00043143900274 0.80167546178300 137.327 22 Ba 0.47621006101869 0.50043143900274 0.69832453821700 137.327 23 Ba 0.47621006101869 0.99956856099726 0.19832453821700 137.327 24 Ba 0.52378993898131 0.49956856099726 0.30167546178300 137.327 25 Ba 0.19442853701867 0.34233969781106 0.92603962511589 137.327 26 Ba 0.80557146298133 0.84233969781106 0.57396037488411 137.327 27 Ba 0.80557146298133 0.65766030218894 0.07396037488411 137.327 28 Ba 0.19442853701867 0.15766030218894 0.42603962511589 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.267146980072585 0.000000000000000 0.000000000000000 b 0.000000000000000 15.329512439999997 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): 1 O 0.12001075637939 0.34072893199094 0.07345450843664 15.999 > 1 2 O 0.62001075637938 0.34072893199094 0.07345450843664 15.999 > 1 3 O 0.12001075637939 0.84072893199094 0.07345450843664 15.999 > 1 4 O 0.62001075637938 0.84072893199094 0.07345450843664 15.999 > 1 5 O 0.37998924362061 0.09072893199094 0.42654549156336 15.999 > 5 6 O 0.87998924362061 0.09072893199094 0.42654549156336 15.999 > 5 7 O 0.37998924362061 0.59072893199094 0.42654549156336 15.999 > 5 8 O 0.87998924362061 0.59072893199094 0.42654549156336 15.999 > 5 9 O 0.37998924362061 0.15927106800906 0.92654549156336 15.999 > 9 10 O 0.87998924362061 0.15927106800906 0.92654549156336 15.999 > 9 11 O 0.37998924362061 0.65927106800906 0.92654549156336 15.999 > 9 12 O 0.87998924362061 0.65927106800906 0.92654549156336 15.999 > 9 13 O 0.12001075637939 0.40927106800906 0.57345450843664 15.999 > 13 14 O 0.62001075637938 0.40927106800906 0.57345450843664 15.999 > 13 15 O 0.12001075637939 0.90927106800906 0.57345450843664 15.999 > 13 16 O 0.62001075637938 0.90927106800906 0.57345450843664 15.999 > 13 17 O 0.17962091090858 0.33643821268923 0.86311208988588 15.999 > 17 18 O 0.67962091090858 0.33643821268923 0.86311208988588 15.999 > 17 19 O 0.17962091090858 0.83643821268923 0.86311208988588 15.999 > 17 20 O 0.67962091090858 0.83643821268923 0.86311208988588 15.999 > 17 21 O 0.32037908909142 0.08643821268923 0.63688791011412 15.999 > 21 22 O 0.82037908909142 0.08643821268923 0.63688791011412 15.999 > 21 23 O 0.32037908909142 0.58643821268923 0.63688791011412 15.999 > 21 24 O 0.82037908909142 0.58643821268923 0.63688791011412 15.999 > 21 25 O 0.32037908909142 0.16356178731077 0.13688791011412 15.999 > 25 26 O 0.82037908909142 0.16356178731077 0.13688791011412 15.999 > 25 27 O 0.32037908909142 0.66356178731077 0.13688791011412 15.999 > 25 28 O 0.82037908909142 0.66356178731077 0.13688791011412 15.999 > 25 29 O 0.17962091090858 0.41356178731077 0.36311208988588 15.999 > 29 30 O 0.67962091090858 0.41356178731077 0.36311208988588 15.999 > 29 31 O 0.17962091090858 0.91356178731077 0.36311208988588 15.999 > 29 32 O 0.67962091090858 0.91356178731077 0.36311208988588 15.999 > 29 33 O 0.41636625689056 0.37013068604751 0.81110071012593 15.999 > 33 34 O 0.91636625689056 0.37013068604751 0.81110071012593 15.999 > 33 35 O 0.41636625689056 0.87013068604751 0.81110071012593 15.999 > 33 36 O 0.91636625689056 0.87013068604751 0.81110071012593 15.999 > 33 37 O 0.08363374310944 0.12013068604751 0.68889928987407 15.999 > 37 38 O 0.58363374310944 0.12013068604751 0.68889928987407 15.999 > 37 39 O 0.08363374310944 0.62013068604751 0.68889928987407 15.999 > 37 40 O 0.58363374310944 0.62013068604751 0.68889928987407 15.999 > 37 41 O 0.08363374310944 0.12986931395249 0.18889928987407 15.999 > 41 42 O 0.58363374310944 0.12986931395249 0.18889928987407 15.999 > 41 43 O 0.08363374310944 0.62986931395249 0.18889928987407 15.999 > 41 44 O 0.58363374310944 0.62986931395249 0.18889928987407 15.999 > 41 45 O 0.41636625689056 0.37986931395249 0.31110071012593 15.999 > 45 46 O 0.91636625689056 0.37986931395249 0.31110071012593 15.999 > 45 47 O 0.41636625689056 0.87986931395249 0.31110071012593 15.999 > 45 48 O 0.91636625689056 0.87986931395249 0.31110071012593 15.999 > 45 49 O 0.38796992541763 0.49551199639131 0.06584840121913 15.999 > 49 50 O 0.88796992541763 0.49551199639131 0.06584840121913 15.999 > 49 51 O 0.38796992541763 0.99551199639131 0.06584840121913 15.999 > 49 52 O 0.88796992541763 0.99551199639131 0.06584840121913 15.999 > 49 53 O 0.11203007458236 0.24551199639131 0.43415159878087 15.999 > 53 54 O 0.61203007458237 0.24551199639131 0.43415159878087 15.999 > 53 55 O 0.11203007458236 0.74551199639131 0.43415159878087 15.999 > 53 56 O 0.61203007458237 0.74551199639131 0.43415159878087 15.999 > 53 57 O 0.11203007458236 0.00448800360869 0.93415159878087 15.999 > 57 58 O 0.61203007458237 0.00448800360869 0.93415159878087 15.999 > 57 59 O 0.11203007458236 0.50448800360869 0.93415159878087 15.999 > 57 60 O 0.61203007458237 0.50448800360869 0.93415159878087 15.999 > 57 61 O 0.38796992541763 0.25448800360869 0.56584840121913 15.999 > 61 62 O 0.88796992541763 0.25448800360869 0.56584840121913 15.999 > 61 63 O 0.38796992541763 0.75448800360869 0.56584840121913 15.999 > 61 64 O 0.88796992541763 0.75448800360869 0.56584840121913 15.999 > 61 65 Ti 0.07835955592397 0.38974789740095 0.91729399452528 47.867 > 65 66 Ti 0.57835955592397 0.38974789740095 0.91729399452528 47.867 > 65 67 Ti 0.07835955592397 0.88974789740095 0.91729399452528 47.867 > 65 68 Ti 0.57835955592397 0.88974789740095 0.91729399452528 47.867 > 65 69 Ti 0.42164044407603 0.13974789740095 0.58270600547472 47.867 > 69 70 Ti 0.92164044407603 0.13974789740095 0.58270600547472 47.867 > 69 71 Ti 0.42164044407603 0.63974789740095 0.58270600547472 47.867 > 69 72 Ti 0.92164044407603 0.63974789740095 0.58270600547472 47.867 > 69 73 Ti 0.42164044407603 0.11025210259905 0.08270600547472 47.867 > 73 74 Ti 0.92164044407603 0.11025210259905 0.08270600547472 47.867 > 73 75 Ti 0.42164044407603 0.61025210259905 0.08270600547472 47.867 > 73 76 Ti 0.92164044407603 0.61025210259905 0.08270600547472 47.867 > 73 77 Ti 0.07835955592397 0.36025210259905 0.41729399452528 47.867 > 77 78 Ti 0.57835955592397 0.36025210259905 0.41729399452528 47.867 > 77 79 Ti 0.07835955592397 0.86025210259905 0.41729399452528 47.867 > 77 80 Ti 0.57835955592397 0.86025210259905 0.41729399452528 47.867 > 77 81 Ba 0.26189496949065 0.00021571950137 0.80167546178300 137.327 > 81 82 Ba 0.76189496949065 0.00021571950137 0.80167546178300 137.327 > 81 83 Ba 0.26189496949065 0.50021571950137 0.80167546178300 137.327 > 81 84 Ba 0.76189496949065 0.50021571950137 0.80167546178300 137.327 > 81 85 Ba 0.23810503050935 0.25021571950137 0.69832453821700 137.327 > 85 86 Ba 0.73810503050935 0.25021571950137 0.69832453821700 137.327 > 85 87 Ba 0.23810503050935 0.75021571950137 0.69832453821700 137.327 > 85 88 Ba 0.73810503050935 0.75021571950137 0.69832453821700 137.327 > 85 89 Ba 0.23810503050935 0.49978428049863 0.19832453821700 137.327 > 89 90 Ba 0.73810503050935 0.49978428049863 0.19832453821700 137.327 > 89 91 Ba 0.23810503050935 0.99978428049863 0.19832453821700 137.327 > 89 92 Ba 0.73810503050935 0.99978428049863 0.19832453821700 137.327 > 89 93 Ba 0.26189496949065 0.24978428049863 0.30167546178300 137.327 > 93 94 Ba 0.76189496949065 0.24978428049863 0.30167546178300 137.327 > 93 95 Ba 0.26189496949065 0.74978428049863 0.30167546178300 137.327 > 93 96 Ba 0.76189496949065 0.74978428049863 0.30167546178300 137.327 > 93 97 Ba 0.09721426850934 0.17116984890553 0.92603962511589 137.327 > 97 98 Ba 0.59721426850934 0.17116984890553 0.92603962511589 137.327 > 97 99 Ba 0.09721426850934 0.67116984890553 0.92603962511589 137.327 > 97 100 Ba 0.59721426850934 0.67116984890553 0.92603962511589 137.327 > 97 101 Ba 0.40278573149066 0.42116984890553 0.57396037488411 137.327 > 101 102 Ba 0.90278573149066 0.42116984890553 0.57396037488411 137.327 > 101 103 Ba 0.40278573149066 0.92116984890553 0.57396037488411 137.327 > 101 104 Ba 0.90278573149066 0.92116984890553 0.57396037488411 137.327 > 101 105 Ba 0.40278573149066 0.32883015109447 0.07396037488411 137.327 > 105 106 Ba 0.90278573149066 0.32883015109447 0.07396037488411 137.327 > 105 107 Ba 0.40278573149066 0.82883015109447 0.07396037488411 137.327 > 105 108 Ba 0.90278573149066 0.82883015109447 0.07396037488411 137.327 > 105 109 Ba 0.09721426850934 0.07883015109447 0.42603962511589 137.327 > 109 110 Ba 0.59721426850934 0.07883015109447 0.42603962511589 137.327 > 109 111 Ba 0.09721426850934 0.57883015109447 0.42603962511589 137.327 > 109 112 Ba 0.59721426850934 0.57883015109447 0.42603962511589 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9748407 0.0000000 0.0410520 0.0000000 4.0602872 0.0000000 0.0410480 0.0000000 3.8554651 -------------------------- Born effective charges -------------------------- 1 O -1.8063270 -0.1994447 0.2649683 -0.1815977 -1.8903064 0.6499245 0.2174261 0.5258367 -2.7595093 2 O -1.8063270 0.1994447 0.2649683 0.1815977 -1.8903064 -0.6499245 0.2174261 -0.5258367 -2.7595093 3 O -1.8063270 -0.1994447 0.2649683 -0.1815977 -1.8903064 0.6499245 0.2174261 0.5258367 -2.7595093 4 O -1.8063270 0.1994447 0.2649683 0.1815977 -1.8903064 -0.6499245 0.2174261 -0.5258367 -2.7595093 5 O -2.8791369 0.6209415 0.4547640 0.5845807 -2.0326153 -0.3025232 0.4233791 -0.2102616 -1.6850619 6 O -2.8791369 -0.6209415 0.4547640 -0.5845807 -2.0326153 0.3025232 0.4233791 0.2102616 -1.6850619 7 O -2.8791369 0.6209415 0.4547640 0.5845807 -2.0326153 -0.3025232 0.4233791 -0.2102616 -1.6850619 8 O -2.8791369 -0.6209415 0.4547640 -0.5845807 -2.0326153 0.3025232 0.4233791 0.2102616 -1.6850619 9 O -2.7416492 -0.2352932 -0.8982880 -0.2000293 -1.5784750 -0.3167126 -0.9074733 -0.1144928 -2.3257770 10 O -2.7416492 0.2352932 -0.8982880 0.2000293 -1.5784750 0.3167126 -0.9074733 0.1144928 -2.3257770 11 O -2.7416492 -0.2352932 -0.8982880 -0.2000293 -1.5784750 -0.3167126 -0.9074733 -0.1144928 -2.3257770 12 O -2.7416492 0.2352932 -0.8982880 0.2000293 -1.5784750 0.3167126 -0.9074733 0.1144928 -2.3257770 13 O -1.3463876 -0.3044388 0.0670572 -0.3608569 -3.6310057 -0.2641077 0.0885854 -0.1793108 -1.4949279 14 O -1.3463876 0.3044388 0.0670572 0.3608569 -3.6310057 0.2641077 0.0885854 0.1793108 -1.4949279 15 O -1.3463876 -0.3044388 0.0670572 -0.3608569 -3.6310057 -0.2641077 0.0885854 -0.1793108 -1.4949279 16 O -1.3463876 0.3044388 0.0670572 0.3608569 -3.6310057 0.2641077 0.0885854 0.1793108 -1.4949279 17 Ti 3.3004832 0.0076771 0.0978000 0.0437484 3.3594665 0.0461039 0.2238398 0.0047768 2.8327542 18 Ti 3.3004832 -0.0076771 0.0978000 -0.0437484 3.3594665 -0.0461039 0.2238398 -0.0047768 2.8327542 19 Ti 3.3004832 0.0076771 0.0978000 0.0437484 3.3594665 0.0461039 0.2238398 0.0047768 2.8327542 20 Ti 3.3004832 -0.0076771 0.0978000 -0.0437484 3.3594665 -0.0461039 0.2238398 -0.0047768 2.8327542 21 Ba 2.7700082 -0.1273769 -0.1336265 0.0510827 2.6355842 -0.0377897 0.0253201 -0.1771975 2.9879643 22 Ba 2.7700082 0.1273769 -0.1336265 -0.0510827 2.6355842 0.0377897 0.0253201 0.1771975 2.9879643 23 Ba 2.7700082 -0.1273769 -0.1336265 0.0510827 2.6355842 -0.0377897 0.0253201 -0.1771975 2.9879643 24 Ba 2.7700082 0.1273769 -0.1336265 -0.0510827 2.6355842 0.0377897 0.0253201 0.1771975 2.9879643 25 Ba 2.7030093 0.0757363 0.1473250 0.0659318 3.1373517 0.0076760 -0.0710772 0.0763805 2.4445576 26 Ba 2.7030093 -0.0757363 0.1473250 -0.0659318 3.1373517 -0.0076760 -0.0710772 -0.0763805 2.4445576 27 Ba 2.7030093 0.0757363 0.1473250 0.0659318 3.1373517 0.0076760 -0.0710772 0.0763805 2.4445576 28 Ba 2.7030093 -0.0757363 0.1473250 -0.0659318 3.1373517 -0.0076760 -0.0710772 -0.0763805 2.4445576 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (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 2026-01-07 19:32:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:32:22]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.133573490036293 0.000000000000000 0.000000000000000 b 0.000000000000000 7.664756219999998 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): 1 O 0.24002151275877 0.68145786398187 0.07345450843664 15.999 2 O 0.75997848724123 0.18145786398187 0.42654549156336 15.999 3 O 0.75997848724123 0.31854213601813 0.92654549156336 15.999 4 O 0.24002151275877 0.81854213601813 0.57345450843664 15.999 5 O 0.35924182181716 0.67287642537846 0.86311208988588 15.999 6 O 0.64075817818284 0.17287642537846 0.63688791011412 15.999 7 O 0.64075817818284 0.32712357462154 0.13688791011412 15.999 8 O 0.35924182181716 0.82712357462154 0.36311208988588 15.999 9 O 0.83273251378112 0.74026137209502 0.81110071012593 15.999 10 O 0.16726748621888 0.24026137209502 0.68889928987407 15.999 11 O 0.16726748621888 0.25973862790498 0.18889928987407 15.999 12 O 0.83273251378112 0.75973862790498 0.31110071012593 15.999 13 O 0.77593985083527 0.99102399278263 0.06584840121913 15.999 14 O 0.22406014916473 0.49102399278263 0.43415159878087 15.999 15 O 0.22406014916473 0.00897600721737 0.93415159878087 15.999 16 O 0.77593985083527 0.50897600721737 0.56584840121913 15.999 17 Ti 0.15671911184794 0.77949579480190 0.91729399452528 47.867 18 Ti 0.84328088815206 0.27949579480190 0.58270600547472 47.867 19 Ti 0.84328088815206 0.22050420519810 0.08270600547472 47.867 20 Ti 0.15671911184794 0.72050420519810 0.41729399452528 47.867 21 Ba 0.52378993898131 0.00043143900274 0.80167546178300 137.327 22 Ba 0.47621006101869 0.50043143900274 0.69832453821700 137.327 23 Ba 0.47621006101869 0.99956856099726 0.19832453821700 137.327 24 Ba 0.52378993898131 0.49956856099726 0.30167546178300 137.327 25 Ba 0.19442853701867 0.34233969781106 0.92603962511589 137.327 26 Ba 0.80557146298133 0.84233969781106 0.57396037488411 137.327 27 Ba 0.80557146298133 0.65766030218894 0.07396037488411 137.327 28 Ba 0.19442853701867 0.15766030218894 0.42603962511589 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.267146980072585 0.000000000000000 0.000000000000000 b 0.000000000000000 15.329512439999997 0.000000000000000 c -5.394270086501500 0.000000000000000 10.481279903326856 Atomic positions (fractional): 1 O 0.12001075637939 0.34072893199094 0.07345450843664 15.999 > 1 2 O 0.62001075637938 0.34072893199094 0.07345450843664 15.999 > 1 3 O 0.12001075637939 0.84072893199094 0.07345450843664 15.999 > 1 4 O 0.62001075637938 0.84072893199094 0.07345450843664 15.999 > 1 5 O 0.37998924362061 0.09072893199094 0.42654549156336 15.999 > 5 6 O 0.87998924362061 0.09072893199094 0.42654549156336 15.999 > 5 7 O 0.37998924362061 0.59072893199094 0.42654549156336 15.999 > 5 8 O 0.87998924362061 0.59072893199094 0.42654549156336 15.999 > 5 9 O 0.37998924362061 0.15927106800906 0.92654549156336 15.999 > 9 10 O 0.87998924362061 0.15927106800906 0.92654549156336 15.999 > 9 11 O 0.37998924362061 0.65927106800906 0.92654549156336 15.999 > 9 12 O 0.87998924362061 0.65927106800906 0.92654549156336 15.999 > 9 13 O 0.12001075637939 0.40927106800906 0.57345450843664 15.999 > 13 14 O 0.62001075637938 0.40927106800906 0.57345450843664 15.999 > 13 15 O 0.12001075637939 0.90927106800906 0.57345450843664 15.999 > 13 16 O 0.62001075637938 0.90927106800906 0.57345450843664 15.999 > 13 17 O 0.17962091090858 0.33643821268923 0.86311208988588 15.999 > 17 18 O 0.67962091090858 0.33643821268923 0.86311208988588 15.999 > 17 19 O 0.17962091090858 0.83643821268923 0.86311208988588 15.999 > 17 20 O 0.67962091090858 0.83643821268923 0.86311208988588 15.999 > 17 21 O 0.32037908909142 0.08643821268923 0.63688791011412 15.999 > 21 22 O 0.82037908909142 0.08643821268923 0.63688791011412 15.999 > 21 23 O 0.32037908909142 0.58643821268923 0.63688791011412 15.999 > 21 24 O 0.82037908909142 0.58643821268923 0.63688791011412 15.999 > 21 25 O 0.32037908909142 0.16356178731077 0.13688791011412 15.999 > 25 26 O 0.82037908909142 0.16356178731077 0.13688791011412 15.999 > 25 27 O 0.32037908909142 0.66356178731077 0.13688791011412 15.999 > 25 28 O 0.82037908909142 0.66356178731077 0.13688791011412 15.999 > 25 29 O 0.17962091090858 0.41356178731077 0.36311208988588 15.999 > 29 30 O 0.67962091090858 0.41356178731077 0.36311208988588 15.999 > 29 31 O 0.17962091090858 0.91356178731077 0.36311208988588 15.999 > 29 32 O 0.67962091090858 0.91356178731077 0.36311208988588 15.999 > 29 33 O 0.41636625689056 0.37013068604751 0.81110071012593 15.999 > 33 34 O 0.91636625689056 0.37013068604751 0.81110071012593 15.999 > 33 35 O 0.41636625689056 0.87013068604751 0.81110071012593 15.999 > 33 36 O 0.91636625689056 0.87013068604751 0.81110071012593 15.999 > 33 37 O 0.08363374310944 0.12013068604751 0.68889928987407 15.999 > 37 38 O 0.58363374310944 0.12013068604751 0.68889928987407 15.999 > 37 39 O 0.08363374310944 0.62013068604751 0.68889928987407 15.999 > 37 40 O 0.58363374310944 0.62013068604751 0.68889928987407 15.999 > 37 41 O 0.08363374310944 0.12986931395249 0.18889928987407 15.999 > 41 42 O 0.58363374310944 0.12986931395249 0.18889928987407 15.999 > 41 43 O 0.08363374310944 0.62986931395249 0.18889928987407 15.999 > 41 44 O 0.58363374310944 0.62986931395249 0.18889928987407 15.999 > 41 45 O 0.41636625689056 0.37986931395249 0.31110071012593 15.999 > 45 46 O 0.91636625689056 0.37986931395249 0.31110071012593 15.999 > 45 47 O 0.41636625689056 0.87986931395249 0.31110071012593 15.999 > 45 48 O 0.91636625689056 0.87986931395249 0.31110071012593 15.999 > 45 49 O 0.38796992541763 0.49551199639131 0.06584840121913 15.999 > 49 50 O 0.88796992541763 0.49551199639131 0.06584840121913 15.999 > 49 51 O 0.38796992541763 0.99551199639131 0.06584840121913 15.999 > 49 52 O 0.88796992541763 0.99551199639131 0.06584840121913 15.999 > 49 53 O 0.11203007458236 0.24551199639131 0.43415159878087 15.999 > 53 54 O 0.61203007458237 0.24551199639131 0.43415159878087 15.999 > 53 55 O 0.11203007458236 0.74551199639131 0.43415159878087 15.999 > 53 56 O 0.61203007458237 0.74551199639131 0.43415159878087 15.999 > 53 57 O 0.11203007458236 0.00448800360869 0.93415159878087 15.999 > 57 58 O 0.61203007458237 0.00448800360869 0.93415159878087 15.999 > 57 59 O 0.11203007458236 0.50448800360869 0.93415159878087 15.999 > 57 60 O 0.61203007458237 0.50448800360869 0.93415159878087 15.999 > 57 61 O 0.38796992541763 0.25448800360869 0.56584840121913 15.999 > 61 62 O 0.88796992541763 0.25448800360869 0.56584840121913 15.999 > 61 63 O 0.38796992541763 0.75448800360869 0.56584840121913 15.999 > 61 64 O 0.88796992541763 0.75448800360869 0.56584840121913 15.999 > 61 65 Ti 0.07835955592397 0.38974789740095 0.91729399452528 47.867 > 65 66 Ti 0.57835955592397 0.38974789740095 0.91729399452528 47.867 > 65 67 Ti 0.07835955592397 0.88974789740095 0.91729399452528 47.867 > 65 68 Ti 0.57835955592397 0.88974789740095 0.91729399452528 47.867 > 65 69 Ti 0.42164044407603 0.13974789740095 0.58270600547472 47.867 > 69 70 Ti 0.92164044407603 0.13974789740095 0.58270600547472 47.867 > 69 71 Ti 0.42164044407603 0.63974789740095 0.58270600547472 47.867 > 69 72 Ti 0.92164044407603 0.63974789740095 0.58270600547472 47.867 > 69 73 Ti 0.42164044407603 0.11025210259905 0.08270600547472 47.867 > 73 74 Ti 0.92164044407603 0.11025210259905 0.08270600547472 47.867 > 73 75 Ti 0.42164044407603 0.61025210259905 0.08270600547472 47.867 > 73 76 Ti 0.92164044407603 0.61025210259905 0.08270600547472 47.867 > 73 77 Ti 0.07835955592397 0.36025210259905 0.41729399452528 47.867 > 77 78 Ti 0.57835955592397 0.36025210259905 0.41729399452528 47.867 > 77 79 Ti 0.07835955592397 0.86025210259905 0.41729399452528 47.867 > 77 80 Ti 0.57835955592397 0.86025210259905 0.41729399452528 47.867 > 77 81 Ba 0.26189496949065 0.00021571950137 0.80167546178300 137.327 > 81 82 Ba 0.76189496949065 0.00021571950137 0.80167546178300 137.327 > 81 83 Ba 0.26189496949065 0.50021571950137 0.80167546178300 137.327 > 81 84 Ba 0.76189496949065 0.50021571950137 0.80167546178300 137.327 > 81 85 Ba 0.23810503050935 0.25021571950137 0.69832453821700 137.327 > 85 86 Ba 0.73810503050935 0.25021571950137 0.69832453821700 137.327 > 85 87 Ba 0.23810503050935 0.75021571950137 0.69832453821700 137.327 > 85 88 Ba 0.73810503050935 0.75021571950137 0.69832453821700 137.327 > 85 89 Ba 0.23810503050935 0.49978428049863 0.19832453821700 137.327 > 89 90 Ba 0.73810503050935 0.49978428049863 0.19832453821700 137.327 > 89 91 Ba 0.23810503050935 0.99978428049863 0.19832453821700 137.327 > 89 92 Ba 0.73810503050935 0.99978428049863 0.19832453821700 137.327 > 89 93 Ba 0.26189496949065 0.24978428049863 0.30167546178300 137.327 > 93 94 Ba 0.76189496949065 0.24978428049863 0.30167546178300 137.327 > 93 95 Ba 0.26189496949065 0.74978428049863 0.30167546178300 137.327 > 93 96 Ba 0.76189496949065 0.74978428049863 0.30167546178300 137.327 > 93 97 Ba 0.09721426850934 0.17116984890553 0.92603962511589 137.327 > 97 98 Ba 0.59721426850934 0.17116984890553 0.92603962511589 137.327 > 97 99 Ba 0.09721426850934 0.67116984890553 0.92603962511589 137.327 > 97 100 Ba 0.59721426850934 0.67116984890553 0.92603962511589 137.327 > 97 101 Ba 0.40278573149066 0.42116984890553 0.57396037488411 137.327 > 101 102 Ba 0.90278573149066 0.42116984890553 0.57396037488411 137.327 > 101 103 Ba 0.40278573149066 0.92116984890553 0.57396037488411 137.327 > 101 104 Ba 0.90278573149066 0.92116984890553 0.57396037488411 137.327 > 101 105 Ba 0.40278573149066 0.32883015109447 0.07396037488411 137.327 > 105 106 Ba 0.90278573149066 0.32883015109447 0.07396037488411 137.327 > 105 107 Ba 0.40278573149066 0.82883015109447 0.07396037488411 137.327 > 105 108 Ba 0.90278573149066 0.82883015109447 0.07396037488411 137.327 > 105 109 Ba 0.09721426850934 0.07883015109447 0.42603962511589 137.327 > 109 110 Ba 0.59721426850934 0.07883015109447 0.42603962511589 137.327 > 109 111 Ba 0.09721426850934 0.57883015109447 0.42603962511589 137.327 > 109 112 Ba 0.59721426850934 0.57883015109447 0.42603962511589 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9748407 0.0000000 0.0410520 0.0000000 4.0602872 0.0000000 0.0410480 0.0000000 3.8554651 -------------------------- Born effective charges -------------------------- 1 O -1.8063270 -0.1994447 0.2649683 -0.1815977 -1.8903064 0.6499245 0.2174261 0.5258367 -2.7595093 2 O -1.8063270 0.1994447 0.2649683 0.1815977 -1.8903064 -0.6499245 0.2174261 -0.5258367 -2.7595093 3 O -1.8063270 -0.1994447 0.2649683 -0.1815977 -1.8903064 0.6499245 0.2174261 0.5258367 -2.7595093 4 O -1.8063270 0.1994447 0.2649683 0.1815977 -1.8903064 -0.6499245 0.2174261 -0.5258367 -2.7595093 5 O -2.8791369 0.6209415 0.4547640 0.5845807 -2.0326153 -0.3025232 0.4233791 -0.2102616 -1.6850619 6 O -2.8791369 -0.6209415 0.4547640 -0.5845807 -2.0326153 0.3025232 0.4233791 0.2102616 -1.6850619 7 O -2.8791369 0.6209415 0.4547640 0.5845807 -2.0326153 -0.3025232 0.4233791 -0.2102616 -1.6850619 8 O -2.8791369 -0.6209415 0.4547640 -0.5845807 -2.0326153 0.3025232 0.4233791 0.2102616 -1.6850619 9 O -2.7416492 -0.2352932 -0.8982880 -0.2000293 -1.5784750 -0.3167126 -0.9074733 -0.1144928 -2.3257770 10 O -2.7416492 0.2352932 -0.8982880 0.2000293 -1.5784750 0.3167126 -0.9074733 0.1144928 -2.3257770 11 O -2.7416492 -0.2352932 -0.8982880 -0.2000293 -1.5784750 -0.3167126 -0.9074733 -0.1144928 -2.3257770 12 O -2.7416492 0.2352932 -0.8982880 0.2000293 -1.5784750 0.3167126 -0.9074733 0.1144928 -2.3257770 13 O -1.3463876 -0.3044388 0.0670572 -0.3608569 -3.6310057 -0.2641077 0.0885854 -0.1793108 -1.4949279 14 O -1.3463876 0.3044388 0.0670572 0.3608569 -3.6310057 0.2641077 0.0885854 0.1793108 -1.4949279 15 O -1.3463876 -0.3044388 0.0670572 -0.3608569 -3.6310057 -0.2641077 0.0885854 -0.1793108 -1.4949279 16 O -1.3463876 0.3044388 0.0670572 0.3608569 -3.6310057 0.2641077 0.0885854 0.1793108 -1.4949279 17 Ti 3.3004832 0.0076771 0.0978000 0.0437484 3.3594665 0.0461039 0.2238398 0.0047768 2.8327542 18 Ti 3.3004832 -0.0076771 0.0978000 -0.0437484 3.3594665 -0.0461039 0.2238398 -0.0047768 2.8327542 19 Ti 3.3004832 0.0076771 0.0978000 0.0437484 3.3594665 0.0461039 0.2238398 0.0047768 2.8327542 20 Ti 3.3004832 -0.0076771 0.0978000 -0.0437484 3.3594665 -0.0461039 0.2238398 -0.0047768 2.8327542 21 Ba 2.7700082 -0.1273769 -0.1336265 0.0510827 2.6355842 -0.0377897 0.0253201 -0.1771975 2.9879643 22 Ba 2.7700082 0.1273769 -0.1336265 -0.0510827 2.6355842 0.0377897 0.0253201 0.1771975 2.9879643 23 Ba 2.7700082 -0.1273769 -0.1336265 0.0510827 2.6355842 -0.0377897 0.0253201 -0.1771975 2.9879643 24 Ba 2.7700082 0.1273769 -0.1336265 -0.0510827 2.6355842 0.0377897 0.0253201 0.1771975 2.9879643 25 Ba 2.7030093 0.0757363 0.1473250 0.0659318 3.1373517 0.0076760 -0.0710772 0.0763805 2.4445576 26 Ba 2.7030093 -0.0757363 0.1473250 -0.0659318 3.1373517 -0.0076760 -0.0710772 -0.0763805 2.4445576 27 Ba 2.7030093 0.0757363 0.1473250 0.0659318 3.1373517 0.0076760 -0.0710772 0.0763805 2.4445576 28 Ba 2.7030093 -0.0757363 0.1473250 -0.0659318 3.1373517 -0.0076760 -0.0710772 -0.0763805 2.4445576 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 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: 303, Lambda: 0.11 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-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 1.405 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.546 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.655 ( 0.000 0.000 0.000) 0.000 10.800 ( 0.000 0.000 0.000) 0.000 10.904 ( 0.000 0.000 0.000) 0.000 19.911 ( 0.000 0.000 0.000) 0.000 20.165 ( 0.000 0.000 0.000) 0.000 20.213 ( 0.000 0.000 0.000) 0.000 20.333 ( 0.000 0.000 0.000) 0.000 20.341 ( 0.000 0.000 0.000) 0.000 20.490 ( 0.000 0.000 0.000) 0.000 20.759 ( 0.000 0.000 0.000) 0.000 20.999 ( 0.000 0.000 0.000) 0.000 21.315 ( 0.000 0.000 0.000) 0.000 21.471 ( 0.000 0.000 0.000) 0.000 22.202 ( 0.000 0.000 0.000) 0.000 22.298 ( 0.000 0.000 0.000) 0.000 22.515 ( 0.000 0.000 0.000) 0.000 22.556 ( 0.000 0.000 0.000) 0.000 22.789 ( 0.000 0.000 0.000) 0.000 22.937 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 21.193 0.000 10.079) 23.467 0.497 ( 19.474 0.000 13.774) 23.853 0.822 ( 32.436 0.000 18.126) 37.157 1.432 ( 4.888 0.000 -1.251) 5.046 1.653 ( 3.759 0.000 -4.289) 5.703 1.801 ( 3.171 0.000 8.019) 8.623 1.921 ( 1.250 0.000 4.586) 4.753 2.084 ( -12.494 0.000 3.097) 12.873 2.249 ( -1.620 0.000 3.514) 3.870 2.316 ( -1.770 0.000 -3.293) 3.739 2.489 ( -0.115 0.000 -1.328) 1.333 2.492 ( -7.382 0.000 1.005) 7.450 2.580 ( -2.667 0.000 0.469) 2.708 2.611 ( 2.789 0.000 -1.843) 3.343 2.690 ( 2.430 0.000 -5.270) 5.803 2.697 ( -4.261 0.000 0.007) 4.261 2.754 ( -5.234 0.000 4.021) 6.601 2.950 ( -6.321 0.000 -1.760) 6.562 2.966 ( 1.290 0.000 0.924) 1.587 3.179 ( 0.263 0.000 1.358) 1.383 3.220 ( 0.716 0.000 -3.251) 3.328 3.291 ( -1.575 0.000 -4.185) 4.471 3.409 ( 2.865 0.000 2.324) 3.689 3.839 ( -1.834 0.000 4.065) 4.460 3.857 ( -1.576 0.000 -2.382) 2.857 3.889 ( 5.235 0.000 -4.055) 6.622 4.015 ( 8.512 0.000 -1.209) 8.598 4.177 ( 0.301 0.000 -5.318) 5.327 4.245 ( 5.955 0.000 -5.575) 8.157 4.421 ( 2.881 0.000 6.002) 6.658 4.564 ( -1.613 0.000 -3.573) 3.920 4.693 ( -4.271 0.000 -1.388) 4.491 4.852 ( 2.356 0.000 6.153) 6.589 4.888 ( 1.106 0.000 -1.335) 1.734 4.939 ( 3.759 0.000 0.262) 3.768 4.984 ( 0.858 0.000 -0.995) 1.314 5.086 ( 0.444 0.000 -4.387) 4.409 5.200 ( 0.894 0.000 1.967) 2.160 5.201 ( -6.879 0.000 3.563) 7.747 5.280 ( -0.893 0.000 3.128) 3.253 5.407 ( 1.919 0.000 1.370) 2.358 5.640 ( 2.621 0.000 -2.623) 3.708 5.679 ( 3.329 0.000 -3.866) 5.102 5.815 ( 3.577 0.000 -0.363) 3.595 6.129 ( 4.434 0.000 1.038) 4.554 6.137 ( -9.272 0.000 -4.512) 10.311 6.234 ( -8.069 0.000 4.403) 9.192 6.927 ( -7.407 0.000 -3.305) 8.111 8.149 ( -4.384 0.000 1.323) 4.579 8.393 ( 6.177 0.000 0.046) 6.177 8.442 ( -5.589 0.000 -2.610) 6.169 8.588 ( 7.831 0.000 -0.762) 7.868 8.914 ( 5.504 0.000 8.568) 10.184 9.002 ( -3.841 0.000 -6.205) 7.298 9.102 ( -6.690 0.000 2.026) 6.990 9.200 ( -1.956 0.000 -0.205) 1.967 9.233 ( -1.381 0.000 -0.433) 1.447 9.429 ( -3.317 0.000 -4.724) 5.772 9.542 ( -6.133 0.000 -1.618) 6.343 9.968 ( 12.390 0.000 1.538) 12.485 10.076 ( -5.410 0.000 -2.255) 5.862 10.118 ( 12.163 0.000 8.409) 14.787 10.305 ( 0.765 0.000 -0.116) 0.774 10.324 ( -10.164 0.000 -1.021) 10.215 10.611 ( -1.473 0.000 1.374) 2.014 10.774 ( 9.136 0.000 3.750) 9.875 10.840 ( 3.550 0.000 1.001) 3.688 10.995 ( 8.979 0.000 -3.323) 9.574 19.913 ( 0.209 0.000 -0.044) 0.214 20.216 ( 3.568 0.000 -5.549) 6.597 20.227 ( 1.501 0.000 -0.009) 1.501 20.402 ( 6.795 0.000 0.554) 6.818 20.513 ( 2.000 0.000 0.950) 2.214 20.706 ( -3.488 0.000 -3.958) 5.276 21.034 ( 2.011 0.000 3.212) 3.789 21.192 ( 3.190 0.000 -4.529) 5.539 21.444 ( -3.558 0.000 1.354) 3.807 22.137 ( -7.488 0.000 1.517) 7.640 22.296 ( 2.840 0.000 -5.975) 6.616 22.512 ( -0.081 0.000 -0.437) 0.445 22.552 ( -0.003 0.000 -0.635) 0.635 22.727 ( -2.578 0.000 3.906) 4.680 22.780 ( -1.548 0.000 1.111) 1.905 23.477 ( 1.032 0.000 -1.394) 1.734 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 16.885 0.000 7.240) 18.372 0.941 ( 17.109 0.000 8.817) 19.247 1.447 ( 18.099 0.000 15.453) 23.798 1.539 ( 3.989 0.000 3.607) 5.378 1.726 ( 9.281 0.000 -4.687) 10.397 1.826 ( -11.290 0.000 -4.137) 12.024 1.905 ( -3.731 0.000 9.210) 9.937 1.988 ( -0.316 0.000 6.425) 6.432 2.250 ( -5.216 0.000 -0.967) 5.305 2.261 ( -1.189 0.000 3.340) 3.545 2.343 ( -7.307 0.000 -0.311) 7.314 2.431 ( -5.458 0.000 -1.746) 5.731 2.522 ( -4.805 0.000 0.965) 4.901 2.608 ( -2.282 0.000 -0.541) 2.345 2.612 ( -2.860 0.000 -0.150) 2.864 2.649 ( -0.403 0.000 -7.569) 7.580 2.724 ( 0.810 0.000 0.074) 0.814 2.894 ( -0.944 0.000 4.416) 4.516 2.977 ( -0.086 0.000 -0.243) 0.258 3.139 ( -4.374 0.000 -0.627) 4.419 3.197 ( 1.141 0.000 -5.232) 5.355 3.300 ( 9.442 0.000 -8.206) 12.509 3.512 ( 4.761 0.000 4.014) 6.227 3.767 ( -5.775 0.000 -3.557) 6.782 3.798 ( -4.553 0.000 0.268) 4.561 3.952 ( 2.692 0.000 0.718) 2.787 4.143 ( -0.958 0.000 -2.283) 2.476 4.157 ( 10.953 0.000 -2.732) 11.289 4.335 ( 5.949 0.000 -3.499) 6.902 4.470 ( -0.864 0.000 -7.850) 7.897 4.475 ( -2.784 0.000 6.334) 6.919 4.702 ( 3.958 0.000 2.319) 4.587 4.943 ( 5.991 0.000 -0.010) 5.991 4.987 ( 5.160 0.000 3.910) 6.474 5.020 ( 4.220 0.000 -0.265) 4.228 5.047 ( 6.472 0.000 -1.307) 6.603 5.063 ( 2.387 0.000 -1.443) 2.789 5.131 ( -4.002 0.000 4.559) 6.066 5.241 ( 1.642 0.000 2.716) 3.174 5.336 ( 3.555 0.000 5.856) 6.851 5.381 ( -6.158 0.000 -0.512) 6.179 5.491 ( -7.595 0.000 -7.892) 10.953 5.725 ( 4.150 0.000 -1.247) 4.333 5.929 ( -1.559 0.000 -1.775) 2.363 6.058 ( 10.473 0.000 0.512) 10.485 6.105 ( -10.717 0.000 6.382) 12.473 6.163 ( -2.144 0.000 -1.884) 2.854 6.720 ( -10.287 0.000 -4.820) 11.360 8.114 ( -1.490 0.000 3.100) 3.439 8.313 ( -5.012 0.000 -4.115) 6.484 8.490 ( 2.991 0.000 1.316) 3.268 8.655 ( -0.746 0.000 -2.807) 2.904 8.831 ( -7.433 0.000 -5.854) 9.462 8.980 ( -4.704 0.000 -4.819) 6.734 9.036 ( -3.421 0.000 8.350) 9.024 9.125 ( -2.293 0.000 -3.665) 4.323 9.228 ( 2.076 0.000 -1.171) 2.383 9.367 ( -1.397 0.000 0.363) 1.444 9.463 ( -2.363 0.000 1.007) 2.569 9.956 ( -5.349 0.000 -1.349) 5.516 10.132 ( -8.296 0.000 -2.222) 8.588 10.137 ( 5.281 0.000 -2.047) 5.664 10.391 ( 3.221 0.000 5.907) 6.728 10.436 ( 12.966 0.000 8.027) 15.250 10.661 ( 8.458 0.000 1.989) 8.689 10.941 ( 5.475 0.000 3.138) 6.311 10.988 ( 9.612 0.000 3.358) 10.181 11.109 ( 7.425 0.000 -5.187) 9.058 19.917 ( 0.331 0.000 0.003) 0.331 20.231 ( 1.742 0.000 -1.988) 2.643 20.265 ( 2.397 0.000 0.274) 2.413 20.549 ( 7.206 0.000 -2.897) 7.766 20.578 ( 4.119 0.000 1.071) 4.256 20.584 ( -3.638 0.000 -2.705) 4.534 21.121 ( 3.207 0.000 4.676) 5.670 21.209 ( 2.662 0.000 -3.366) 4.291 21.375 ( -5.734 0.000 2.382) 6.209 21.976 ( -10.463 0.000 -0.102) 10.464 22.301 ( 4.448 0.000 -6.291) 7.705 22.506 ( 0.074 0.000 -0.600) 0.605 22.551 ( 0.786 0.000 -0.792) 1.116 22.708 ( -2.385 0.000 1.515) 2.826 22.756 ( -2.577 0.000 1.790) 3.138 23.486 ( 0.772 0.000 -0.367) 0.855 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 1.937 0.000 -1.470) 2.432 1.245 ( 10.515 0.000 0.714) 10.540 1.486 ( -13.242 0.000 2.023) 13.396 1.744 ( 8.964 0.000 -4.484) 10.023 1.765 ( 5.358 0.000 7.006) 8.820 1.867 ( -8.867 0.000 9.025) 12.652 1.884 ( 11.767 0.000 -4.863) 12.732 2.005 ( -4.424 0.000 10.164) 11.085 2.113 ( -3.586 0.000 -5.415) 6.495 2.241 ( -3.941 0.000 0.759) 4.014 2.255 ( -0.686 0.000 0.951) 1.173 2.343 ( -6.133 0.000 6.301) 8.793 2.433 ( -3.276 0.000 0.460) 3.308 2.512 ( -5.350 0.000 -2.648) 5.969 2.604 ( -1.750 0.000 1.739) 2.467 2.615 ( 1.749 0.000 -0.256) 1.768 2.765 ( 2.906 0.000 -0.581) 2.964 2.959 ( -1.309 0.000 -0.396) 1.368 2.959 ( -0.979 0.000 3.394) 3.532 3.055 ( -0.852 0.000 -1.533) 1.754 3.145 ( -0.514 0.000 -6.001) 6.023 3.432 ( 11.051 0.000 -9.557) 14.611 3.615 ( -0.360 0.000 4.598) 4.612 3.619 ( -5.979 0.000 -0.906) 6.047 3.737 ( 1.148 0.000 -0.246) 1.175 3.987 ( 0.905 0.000 -0.924) 1.294 4.066 ( -5.251 0.000 -1.083) 5.361 4.338 ( 8.040 0.000 -4.588) 9.257 4.408 ( 6.750 0.000 0.066) 6.750 4.437 ( 4.533 0.000 -6.598) 8.005 4.489 ( -1.091 0.000 5.984) 6.082 4.732 ( -3.916 0.000 1.917) 4.360 5.010 ( -0.544 0.000 1.803) 1.883 5.050 ( 1.484 0.000 -2.882) 3.242 5.088 ( -0.855 0.000 -4.191) 4.277 5.099 ( 2.041 0.000 3.523) 4.072 5.181 ( 7.276 0.000 -0.192) 7.279 5.210 ( 7.257 0.000 0.641) 7.286 5.295 ( 2.169 0.000 5.217) 5.650 5.347 ( 5.704 0.000 6.270) 8.476 5.362 ( 1.692 0.000 -2.288) 2.846 5.529 ( 10.308 0.000 6.132) 11.995 5.783 ( 3.059 0.000 -2.255) 3.800 5.859 ( -4.359 0.000 1.369) 4.569 6.001 ( -4.622 0.000 3.375) 5.723 6.002 ( -11.636 0.000 -3.795) 12.239 6.263 ( 7.652 0.000 -0.312) 7.658 6.484 ( -10.083 0.000 -5.627) 11.547 8.144 ( 0.399 0.000 4.382) 4.400 8.188 ( -3.562 0.000 -5.140) 6.254 8.483 ( -4.919 0.000 -0.367) 4.932 8.531 ( -7.992 0.000 -2.359) 8.332 8.690 ( -2.115 0.000 -3.229) 3.860 8.856 ( -3.197 0.000 -5.460) 6.327 8.918 ( -8.885 0.000 -0.558) 8.903 9.103 ( -1.170 0.000 0.240) 1.194 9.270 ( 5.433 0.000 -6.415) 8.406 9.383 ( 1.395 0.000 2.487) 2.851 9.470 ( -1.106 0.000 6.815) 6.905 9.866 ( -3.298 0.000 -1.064) 3.465 10.001 ( -3.949 0.000 -1.699) 4.298 10.106 ( -5.287 0.000 -2.365) 5.792 10.517 ( 6.514 0.000 3.350) 7.325 10.703 ( 8.935 0.000 5.104) 10.290 10.910 ( 11.744 0.000 4.278) 12.499 11.085 ( 5.911 0.000 4.328) 7.326 11.151 ( 5.170 0.000 0.201) 5.174 11.172 ( 5.201 0.000 -2.982) 5.996 19.925 ( 0.476 0.000 0.112) 0.489 20.237 ( 0.284 0.000 -0.752) 0.804 20.311 ( 2.037 0.000 0.457) 2.088 20.443 ( -3.892 0.000 -4.682) 6.088 20.675 ( 5.341 0.000 0.626) 5.377 20.684 ( 6.098 0.000 -1.409) 6.258 21.221 ( 1.146 0.000 -1.816) 2.147 21.224 ( 2.817 0.000 4.702) 5.482 21.291 ( -5.302 0.000 1.772) 5.590 21.781 ( -9.479 0.000 -1.424) 9.585 22.345 ( 5.298 0.000 -3.666) 6.443 22.505 ( 0.344 0.000 -0.508) 0.614 22.569 ( 1.857 0.000 -0.549) 1.936 22.672 ( -2.404 0.000 0.483) 2.452 22.721 ( -3.097 0.000 1.775) 3.570 23.497 ( 0.594 0.000 -0.042) 0.596 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -8.711 0.000 -6.911) 11.120 1.291 ( -6.774 0.000 -0.246) 6.779 1.328 ( 1.142 0.000 -2.100) 2.391 1.808 ( 0.654 0.000 1.583) 1.713 1.817 ( 1.562 0.000 -1.997) 2.536 1.946 ( 4.686 0.000 7.262) 8.643 2.022 ( 6.974 0.000 -2.991) 7.589 2.043 ( 1.202 0.000 -7.532) 7.627 2.090 ( -1.583 0.000 13.282) 13.375 2.207 ( -1.965 0.000 2.251) 2.988 2.219 ( -2.901 0.000 -2.251) 3.672 2.285 ( -3.144 0.000 1.978) 3.715 2.398 ( -3.939 0.000 -1.405) 4.182 2.486 ( 3.429 0.000 3.676) 5.027 2.594 ( -1.376 0.000 1.854) 2.309 2.644 ( 1.367 0.000 -0.146) 1.375 2.778 ( -0.723 0.000 -1.715) 1.861 2.913 ( -1.433 0.000 -1.580) 2.133 2.916 ( -1.213 0.000 0.016) 1.213 3.063 ( -0.566 0.000 -0.199) 0.600 3.094 ( -0.267 0.000 -2.380) 2.395 3.455 ( 0.725 0.000 -3.877) 3.945 3.594 ( 1.233 0.000 0.320) 1.274 3.605 ( -1.481 0.000 1.656) 2.222 3.827 ( 5.112 0.000 1.206) 5.253 3.944 ( -4.665 0.000 0.062) 4.666 3.996 ( -0.306 0.000 -1.943) 1.967 4.390 ( 4.316 0.000 -4.310) 6.100 4.449 ( -2.572 0.000 3.365) 4.235 4.475 ( 2.958 0.000 -2.143) 3.652 4.585 ( 4.404 0.000 -2.270) 4.955 4.660 ( -4.227 0.000 3.972) 5.801 4.963 ( -2.309 0.000 -1.455) 2.730 5.048 ( 0.409 0.000 -0.929) 1.015 5.053 ( 0.888 0.000 -1.387) 1.647 5.124 ( -0.607 0.000 1.422) 1.546 5.202 ( -2.338 0.000 -0.149) 2.343 5.352 ( 10.153 0.000 -0.131) 10.154 5.480 ( 8.825 0.000 0.557) 8.843 5.517 ( 6.467 0.000 1.734) 6.695 5.531 ( 5.735 0.000 7.813) 9.692 5.704 ( -3.975 0.000 0.462) 4.002 5.736 ( -9.488 0.000 1.566) 9.617 5.793 ( -5.829 0.000 5.081) 7.733 5.809 ( 7.000 0.000 -6.608) 9.626 6.044 ( 5.163 0.000 4.577) 6.899 6.269 ( -3.210 0.000 -5.909) 6.724 6.277 ( -6.788 0.000 -2.733) 7.318 8.111 ( -0.810 0.000 -2.378) 2.512 8.190 ( 0.467 0.000 2.848) 2.886 8.373 ( -3.712 0.000 -1.807) 4.128 8.392 ( -4.087 0.000 -1.103) 4.233 8.665 ( 0.276 0.000 -0.876) 0.918 8.777 ( -1.516 0.000 -1.843) 2.386 8.788 ( -3.938 0.000 -0.351) 3.954 9.076 ( -1.024 0.000 -0.455) 1.121 9.292 ( 1.876 0.000 -2.690) 3.280 9.431 ( 1.115 0.000 1.169) 1.615 9.524 ( 0.691 0.000 3.336) 3.407 9.820 ( -1.010 0.000 -0.453) 1.106 9.953 ( -0.687 0.000 -0.399) 0.795 9.986 ( -3.909 0.000 -1.444) 4.168 10.638 ( 3.283 0.000 1.188) 3.491 10.836 ( 2.604 0.000 1.304) 2.912 11.091 ( 4.351 0.000 1.914) 4.753 11.195 ( 2.043 0.000 -1.092) 2.317 11.201 ( 2.619 0.000 1.980) 3.283 11.236 ( 1.610 0.000 0.062) 1.611 19.934 ( 0.280 0.000 0.083) 0.292 20.231 ( -0.170 0.000 -0.227) 0.284 20.339 ( 0.709 0.000 0.078) 0.714 20.363 ( -1.493 0.000 -1.583) 2.176 20.753 ( 2.644 0.000 -1.007) 2.829 20.761 ( 2.955 0.000 0.116) 2.957 21.210 ( -2.376 0.000 2.020) 3.119 21.238 ( -0.005 0.000 -1.830) 1.830 21.292 ( 0.772 0.000 2.248) 2.377 21.640 ( -3.899 0.000 -1.033) 4.034 22.401 ( 2.507 0.000 -1.058) 2.721 22.508 ( 0.282 0.000 -0.211) 0.352 22.601 ( 1.744 0.000 -0.352) 1.779 22.640 ( -1.144 0.000 0.088) 1.147 22.682 ( -2.223 0.000 0.982) 2.430 23.505 ( 0.226 0.000 0.012) 0.227 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 0.000 23.544 0.000) 23.544 0.487 ( 0.000 25.792 0.000) 25.792 0.949 ( 0.000 48.898 0.000) 48.898 1.420 ( 0.000 1.653 0.000) 1.653 1.547 ( 0.000 -4.749 0.000) 4.749 1.855 ( 0.000 9.130 0.000) 9.130 2.056 ( 0.000 17.036 0.000) 17.036 2.188 ( 0.000 -1.625 0.000) 1.625 2.217 ( 0.000 -3.917 0.000) 3.917 2.363 ( 0.000 0.717 0.000) 0.717 2.458 ( 0.000 -2.488 0.000) 2.488 2.498 ( 0.000 -2.885 0.000) 2.885 2.624 ( 0.000 -1.027 0.000) 1.027 2.705 ( 0.000 6.899 0.000) 6.899 2.759 ( 0.000 8.743 0.000) 8.743 2.785 ( 0.000 3.518 0.000) 3.518 2.829 ( 0.000 7.291 0.000) 7.291 2.980 ( 0.000 2.656 0.000) 2.656 3.112 ( 0.000 3.601 0.000) 3.601 3.118 ( 0.000 2.070 0.000) 2.070 3.207 ( 0.000 3.878 0.000) 3.878 3.257 ( 0.000 -8.638 0.000) 8.638 3.522 ( 0.000 12.014 0.000) 12.014 3.775 ( 0.000 -1.125 0.000) 1.125 3.830 ( 0.000 -0.981 0.000) 0.981 3.932 ( 0.000 3.303 0.000) 3.303 3.974 ( 0.000 5.777 0.000) 5.777 4.081 ( 0.000 0.326 0.000) 0.326 4.303 ( 0.000 -0.654 0.000) 0.654 4.378 ( 0.000 3.652 0.000) 3.652 4.623 ( 0.000 4.335 0.000) 4.335 4.647 ( 0.000 -3.992 0.000) 3.992 4.697 ( 0.000 -1.313 0.000) 1.313 4.885 ( 0.000 -1.850 0.000) 1.850 4.927 ( 0.000 -2.543 0.000) 2.543 4.994 ( 0.000 -0.820 0.000) 0.820 5.040 ( 0.000 -9.799 0.000) 9.799 5.179 ( 0.000 4.854 0.000) 4.854 5.225 ( 0.000 -2.245 0.000) 2.245 5.343 ( 0.000 0.009 0.000) 0.009 5.353 ( 0.000 2.111 0.000) 2.111 5.530 ( 0.000 -0.107 0.000) 0.107 5.732 ( 0.000 3.926 0.000) 3.926 5.840 ( 0.000 2.552 0.000) 2.552 6.139 ( 0.000 6.217 0.000) 6.217 6.239 ( 0.000 -4.337 0.000) 4.337 6.285 ( 0.000 0.483 0.000) 0.483 7.135 ( 0.000 -9.757 0.000) 9.757 8.183 ( 0.000 -1.194 0.000) 1.194 8.311 ( 0.000 2.263 0.000) 2.263 8.600 ( 0.000 0.875 0.000) 0.875 8.657 ( 0.000 10.435 0.000) 10.435 8.705 ( 0.000 -7.190 0.000) 7.190 9.044 ( 0.000 -2.899 0.000) 2.899 9.144 ( 0.000 -0.542 0.000) 0.542 9.198 ( 0.000 -1.123 0.000) 1.123 9.287 ( 0.000 3.308 0.000) 3.308 9.531 ( 0.000 0.763 0.000) 0.763 9.694 ( 0.000 -7.806 0.000) 7.806 9.727 ( 0.000 2.362 0.000) 2.362 9.805 ( 0.000 0.112 0.000) 0.112 9.949 ( 0.000 3.096 0.000) 3.096 10.322 ( 0.000 -0.674 0.000) 0.674 10.365 ( 0.000 -10.704 0.000) 10.704 10.572 ( 0.000 -5.574 0.000) 5.574 10.645 ( 0.000 -14.835 0.000) 14.835 10.811 ( 0.000 -9.667 0.000) 9.667 10.899 ( 0.000 -6.172 0.000) 6.172 19.917 ( 0.000 0.620 0.000) 0.620 20.106 ( 0.000 -3.788 0.000) 3.788 20.263 ( 0.000 2.628 0.000) 2.628 20.339 ( 0.000 -0.354 0.000) 0.354 20.364 ( 0.000 2.422 0.000) 2.422 20.487 ( 0.000 -0.392 0.000) 0.392 20.721 ( 0.000 -1.970 0.000) 1.970 21.428 ( 0.000 -4.542 0.000) 4.542 21.434 ( 0.000 10.346 0.000) 10.346 22.027 ( 0.000 -0.219 0.000) 0.219 22.206 ( 0.000 0.367 0.000) 0.367 22.415 ( 0.000 -4.237 0.000) 4.237 22.565 ( 0.000 4.896 0.000) 4.896 22.594 ( 0.000 4.115 0.000) 4.115 23.064 ( 0.000 13.043 0.000) 13.043 24.401 ( 0.000 -3.717 0.000) 3.717 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 13.328 13.926 11.575) 22.485 0.682 ( 13.758 17.308 8.696) 23.759 1.248 ( 21.678 36.732 9.497) 43.697 1.448 ( 4.655 1.881 0.236) 5.026 1.636 ( 4.819 -1.098 3.403) 6.000 1.884 ( 1.429 7.502 2.522) 8.043 2.063 ( 0.502 12.461 -0.156) 12.472 2.092 ( -10.372 -0.404 2.881) 10.772 2.220 ( -1.033 -3.280 2.676) 4.357 2.324 ( -1.786 0.661 -6.749) 7.013 2.435 ( -4.795 -1.889 4.372) 6.758 2.493 ( -0.715 -0.610 2.000) 2.209 2.588 ( -1.713 -0.471 -3.064) 3.541 2.708 ( 0.023 7.370 -2.707) 7.852 2.741 ( -2.085 5.189 2.052) 5.957 2.758 ( -2.004 2.292 0.408) 3.071 2.807 ( -2.076 8.835 -3.538) 9.741 2.951 ( -2.996 1.955 -0.807) 3.668 3.032 ( -1.360 6.538 0.214) 6.681 3.139 ( -0.328 -5.131 -1.974) 5.507 3.223 ( 0.939 3.762 -0.760) 3.951 3.270 ( 2.138 0.805 -1.373) 2.666 3.552 ( 2.206 10.427 1.689) 10.791 3.744 ( -2.254 -5.470 -1.916) 6.219 3.821 ( 1.596 -2.477 -1.873) 3.492 3.967 ( -1.265 4.736 0.487) 4.926 4.047 ( 6.471 2.747 0.129) 7.031 4.135 ( 5.036 -0.811 -1.624) 5.354 4.285 ( 4.576 2.804 -5.199) 7.471 4.451 ( 0.681 1.833 4.295) 4.719 4.583 ( -1.435 -0.526 -1.371) 2.053 4.624 ( -3.213 -3.709 -0.530) 4.936 4.725 ( 3.642 -3.171 2.140) 5.282 4.923 ( -0.484 -0.789 -0.898) 1.289 4.945 ( 2.795 -2.081 -0.384) 3.506 4.980 ( 3.097 -1.557 -1.008) 3.610 5.042 ( 2.347 -3.839 -3.219) 5.532 5.192 ( 0.047 0.806 2.402) 2.534 5.246 ( 0.746 -0.291 2.488) 2.614 5.264 ( -4.493 3.872 3.669) 6.974 5.477 ( 4.402 4.094 1.336) 6.159 5.581 ( 4.180 -4.089 -1.088) 5.948 5.712 ( -0.258 2.496 -1.410) 2.878 5.808 ( -0.267 1.238 -2.451) 2.759 6.147 ( -6.977 2.306 -2.177) 7.664 6.186 ( -5.568 -2.312 3.498) 6.970 6.204 ( -0.044 3.216 0.011) 3.216 6.978 ( -10.354 -2.261 -5.254) 11.829 8.142 ( -2.724 0.431 0.848) 2.885 8.384 ( 5.078 0.746 0.207) 5.137 8.522 ( -5.986 4.592 -2.600) 7.980 8.621 ( 4.208 3.453 -0.930) 5.522 8.824 ( 3.093 -6.791 2.257) 7.796 9.047 ( -7.177 -3.108 2.256) 8.140 9.086 ( 0.224 5.773 -1.167) 5.894 9.165 ( -2.035 -2.833 1.002) 3.629 9.316 ( 0.205 4.882 1.639) 5.154 9.464 ( -2.270 3.411 -4.401) 6.013 9.594 ( -6.050 4.163 -2.661) 7.811 9.872 ( 7.566 -9.347 3.326) 12.477 9.980 ( 8.557 -6.741 2.945) 11.284 10.079 ( 8.292 -2.168 4.920) 9.883 10.266 ( -7.219 -5.292 -4.797) 10.156 10.322 ( 1.093 -1.593 2.022) 2.796 10.533 ( -2.967 -9.267 -1.841) 9.903 10.679 ( 1.382 -10.444 3.672) 11.156 10.718 ( -0.602 -8.966 -1.053) 9.047 10.923 ( 9.703 -7.032 -3.552) 12.498 19.918 ( 0.340 0.614 -0.189) 0.727 20.142 ( 3.333 -4.644 -3.488) 6.696 20.279 ( 0.947 2.126 -1.009) 2.536 20.384 ( 6.116 -2.066 0.840) 6.510 20.510 ( 2.119 -0.387 1.068) 2.405 20.676 ( -0.951 -0.314 -2.018) 2.253 20.728 ( 14.278 -11.948 9.010) 20.684 21.373 ( 0.594 4.206 -6.922) 8.121 21.463 ( -2.164 5.200 5.667) 7.990 22.131 ( -6.242 -2.474 6.030) 9.025 22.169 ( 6.328 -4.607 -4.318) 8.939 22.431 ( 1.833 -6.409 0.426) 6.679 22.593 ( 1.272 4.523 0.819) 4.769 22.603 ( 2.207 3.282 0.654) 4.009 23.024 ( -3.802 14.305 -0.726) 14.819 23.933 ( -22.154 19.984 -11.427) 31.949 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 15.561 8.622 3.942) 18.221 1.053 ( 12.897 8.471 15.488) 21.863 1.556 ( 3.396 2.461 3.780) 5.646 1.687 ( 11.140 21.729 7.779) 25.627 1.745 ( 4.274 1.484 2.649) 5.243 1.871 ( -5.173 4.142 -2.689) 7.152 1.947 ( -4.259 4.099 6.079) 8.479 2.065 ( 0.432 6.341 -2.738) 6.920 2.221 ( -1.590 -1.730 0.147) 2.354 2.232 ( -2.764 -1.675 -0.778) 3.324 2.373 ( -5.029 2.753 2.629) 6.307 2.468 ( -7.015 3.426 0.050) 7.807 2.535 ( -2.319 0.696 1.543) 2.871 2.593 ( -3.964 -0.519 -2.231) 4.578 2.710 ( -4.540 8.439 -1.399) 9.685 2.741 ( 0.829 2.748 0.757) 2.969 2.765 ( 0.043 8.769 -2.776) 9.198 2.914 ( -0.915 3.223 2.359) 4.098 3.026 ( 1.298 4.367 -1.077) 4.681 3.147 ( 0.370 2.047 -0.967) 2.294 3.213 ( 0.467 0.559 -3.897) 3.965 3.295 ( 5.840 3.397 -4.091) 7.898 3.617 ( 3.792 8.201 -1.288) 9.127 3.717 ( -1.682 -6.302 2.827) 7.109 3.773 ( -5.030 -0.370 -2.353) 5.565 3.946 ( 0.531 0.155 -1.170) 1.294 4.128 ( 3.493 1.701 -1.443) 4.145 4.220 ( 7.155 0.792 -3.011) 7.804 4.357 ( 5.243 1.832 -2.716) 6.182 4.400 ( -4.071 0.842 -1.919) 4.579 4.548 ( -2.569 1.432 1.847) 3.473 4.664 ( 5.042 -3.310 1.875) 6.316 4.838 ( 4.851 -6.023 2.454) 8.114 4.920 ( 2.630 -4.699 -0.265) 5.391 5.012 ( 3.737 -2.587 0.919) 4.637 5.051 ( 5.857 -0.655 -3.045) 6.633 5.087 ( 5.045 2.776 -0.702) 5.801 5.228 ( -3.017 5.609 3.497) 7.266 5.237 ( 3.071 0.017 1.831) 3.576 5.311 ( 3.705 1.982 4.321) 6.027 5.483 ( -7.014 4.166 -1.882) 8.372 5.508 ( -2.700 3.521 -3.257) 5.504 5.713 ( 2.388 -1.214 -1.132) 2.908 5.934 ( 7.924 -1.815 2.350) 8.462 6.017 ( -3.197 -0.205 2.122) 3.843 6.065 ( -8.142 -2.818 3.846) 9.435 6.230 ( 0.369 5.289 -3.181) 6.183 6.715 ( -12.269 -2.633 -6.206) 13.999 8.125 ( -0.387 1.234 1.478) 1.964 8.374 ( -5.765 5.953 -2.063) 8.539 8.478 ( 2.016 -0.943 0.731) 2.343 8.667 ( 0.523 0.656 -3.132) 3.243 8.818 ( -3.498 -2.144 -2.176) 4.645 8.907 ( -6.011 -2.682 -3.719) 7.560 9.075 ( -5.333 2.636 6.106) 8.525 9.133 ( -1.258 -0.403 -2.225) 2.588 9.322 ( 0.252 7.978 -2.333) 8.316 9.371 ( -2.654 0.404 0.229) 2.695 9.508 ( -2.666 4.641 -1.457) 5.547 9.883 ( -3.758 -7.348 -2.046) 8.503 10.073 ( -5.063 -5.357 -0.258) 7.376 10.139 ( 1.899 -1.921 -1.314) 3.004 10.300 ( 7.331 -6.633 5.005) 11.081 10.405 ( 2.652 -8.319 5.639) 10.394 10.551 ( 11.301 -8.941 0.741) 14.429 10.805 ( 6.271 -12.064 5.048) 14.503 10.859 ( 10.895 -11.074 3.012) 15.824 11.044 ( 7.407 -6.701 -4.535) 10.970 19.924 ( 0.390 0.724 -0.008) 0.822 20.169 ( 2.080 -4.499 -1.462) 5.168 20.294 ( 1.222 1.110 0.195) 1.662 20.508 ( 1.327 -6.029 0.850) 6.232 20.548 ( 4.232 0.485 -1.489) 4.513 20.629 ( 3.376 4.062 -4.499) 6.938 20.997 ( 7.618 -5.546 6.378) 11.379 21.329 ( 0.405 5.072 -4.525) 6.809 21.458 ( -3.357 7.734 3.673) 9.197 21.982 ( -10.161 0.526 0.615) 10.193 22.227 ( 3.945 -6.613 -4.760) 9.053 22.474 ( 1.766 -4.040 0.758) 4.474 22.608 ( 1.651 5.371 -1.216) 5.749 22.686 ( 2.430 1.602 3.764) 4.758 22.930 ( -5.381 14.800 -0.593) 15.759 23.606 ( -8.157 9.906 -3.870) 13.403 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.402 6.504 0.059) 9.126 1.353 ( 5.013 9.330 4.868) 11.657 1.508 ( -12.163 2.375 2.055) 12.562 1.694 ( 4.753 -0.275 -3.876) 6.140 1.813 ( -5.525 -0.874 3.524) 6.611 1.922 ( 2.824 2.969 2.796) 4.960 1.993 ( 5.070 10.782 6.832) 13.735 2.057 ( -1.898 2.932 -1.566) 3.828 2.135 ( 0.696 7.947 -1.449) 8.108 2.232 ( -1.288 0.195 -1.419) 1.926 2.275 ( -2.664 1.466 -1.663) 3.466 2.376 ( -4.875 2.692 8.550) 10.203 2.504 ( -3.936 4.002 2.233) 6.042 2.562 ( -1.920 1.324 -0.555) 2.397 2.602 ( -4.267 4.653 -0.349) 6.323 2.717 ( -1.050 9.264 -1.717) 9.481 2.780 ( 1.961 2.242 1.112) 3.179 2.948 ( 0.686 2.451 1.304) 2.860 3.073 ( 1.259 3.217 -1.822) 3.906 3.099 ( -0.845 10.940 -0.019) 10.973 3.173 ( 0.198 1.900 -4.640) 5.018 3.412 ( 8.145 -0.225 -3.906) 9.036 3.571 ( -5.108 -1.260 -3.714) 6.440 3.655 ( -5.162 -1.407 0.328) 5.361 3.774 ( 4.868 5.196 2.389) 7.510 3.968 ( 1.582 -1.728 -0.943) 2.525 4.117 ( -3.416 4.901 -1.436) 6.145 4.313 ( 3.553 -7.304 -1.555) 8.270 4.386 ( 6.792 2.300 -1.757) 7.383 4.408 ( 3.629 1.412 -3.786) 5.431 4.555 ( 0.156 2.604 3.099) 4.051 4.701 ( -2.397 -2.509 -0.092) 3.472 4.915 ( 1.858 -6.112 0.938) 6.457 5.000 ( 4.156 -3.917 -1.596) 5.930 5.046 ( -1.225 -1.232 1.491) 2.290 5.145 ( 2.242 -1.185 -1.271) 2.837 5.189 ( 8.099 2.993 2.984) 9.135 5.249 ( 5.566 4.164 -1.072) 7.034 5.303 ( -1.036 -0.921 -0.970) 1.692 5.374 ( 3.881 2.807 1.302) 4.963 5.468 ( 6.874 7.719 6.078) 11.991 5.551 ( 7.276 2.854 5.124) 9.345 5.745 ( 0.164 -3.115 0.195) 3.125 5.889 ( -5.429 0.805 1.244) 5.627 6.003 ( -1.774 3.070 0.993) 3.682 6.039 ( -8.045 0.844 -0.390) 8.099 6.256 ( 7.259 1.042 -0.687) 7.366 6.441 ( -11.014 -4.997 -6.077) 13.535 8.139 ( 0.269 0.204 -0.200) 0.392 8.257 ( -4.435 5.823 -1.213) 7.419 8.472 ( -4.039 -0.483 1.367) 4.292 8.574 ( -7.622 3.245 -3.978) 9.189 8.695 ( -2.866 0.916 -3.467) 4.590 8.769 ( -5.812 -4.713 -2.987) 8.057 9.000 ( -4.633 4.208 -1.542) 6.446 9.103 ( -0.917 -0.206 -0.283) 0.982 9.307 ( 3.322 3.179 -5.320) 7.031 9.385 ( 0.123 0.484 2.067) 2.127 9.475 ( -1.608 0.953 5.093) 5.425 9.799 ( -2.735 -6.575 -1.671) 7.315 9.946 ( -5.454 -5.509 -3.820) 8.642 10.114 ( -3.617 -0.520 0.599) 3.703 10.434 ( 5.595 -8.203 1.959) 10.121 10.577 ( 7.301 -13.993 5.198) 16.618 10.809 ( 11.507 -10.787 2.972) 16.050 10.971 ( 5.796 -8.005 3.683) 10.548 11.074 ( 8.707 -7.970 2.749) 12.119 11.119 ( 5.335 -5.634 -2.265) 8.083 19.932 ( 0.359 0.706 0.175) 0.811 20.187 ( 0.881 -4.224 -0.519) 4.347 20.321 ( 0.890 0.266 0.827) 1.244 20.431 ( -3.210 -1.359 -3.651) 5.048 20.673 ( 5.131 -0.001 0.528) 5.158 20.692 ( 7.182 1.282 -2.730) 7.789 21.143 ( 3.164 -2.053 3.023) 4.833 21.301 ( -0.589 6.309 -0.982) 6.412 21.411 ( -4.130 6.426 1.204) 7.733 21.815 ( -7.574 3.529 0.036) 8.355 22.263 ( 4.180 -7.888 -3.002) 9.418 22.507 ( 1.364 -1.119 0.167) 1.772 22.636 ( 2.688 6.382 -1.177) 7.024 22.730 ( -0.738 5.393 2.271) 5.898 22.835 ( -4.649 12.310 0.241) 13.161 23.498 ( -2.489 0.537 -0.911) 2.704 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -6.389 16.347 -4.765) 18.186 1.304 ( -5.353 1.570 -0.666) 5.618 1.384 ( -0.814 5.658 -2.280) 6.154 1.664 ( -2.391 -5.829 -0.093) 6.302 1.913 ( 2.613 -1.138 7.543) 8.063 1.974 ( 6.093 2.749 -4.967) 8.328 2.061 ( 1.549 1.368 4.272) 4.746 2.123 ( -1.689 4.477 6.647) 8.190 2.142 ( 0.086 6.288 -1.602) 6.490 2.213 ( 3.069 5.352 -1.781) 6.421 2.250 ( -0.555 3.859 -1.543) 4.193 2.385 ( -0.672 6.695 2.821) 7.296 2.450 ( -5.262 5.581 -0.717) 7.704 2.514 ( 0.623 2.763 2.989) 4.118 2.577 ( -0.932 -1.297 0.713) 1.749 2.708 ( 0.468 6.970 -0.287) 6.992 2.812 ( 0.449 3.343 -0.089) 3.375 2.954 ( 0.538 4.801 -1.469) 5.049 3.001 ( -2.722 8.744 -0.504) 9.172 3.115 ( 0.471 3.475 -1.584) 3.848 3.141 ( -1.180 7.172 -1.313) 7.386 3.449 ( -0.337 -0.211 -2.690) 2.720 3.501 ( -0.356 -5.601 1.355) 5.773 3.614 ( 0.242 -1.745 -0.540) 1.843 3.887 ( 4.825 5.345 1.985) 7.469 3.966 ( -1.197 0.715 0.168) 1.405 4.023 ( -3.593 4.093 -2.824) 6.135 4.357 ( 2.119 -6.221 -0.379) 6.583 4.423 ( 1.042 1.084 -1.474) 2.105 4.506 ( 6.542 0.647 -2.293) 6.962 4.579 ( -2.151 -0.360 2.976) 3.689 4.631 ( -2.640 0.079 -0.291) 2.657 4.942 ( 0.920 -2.537 0.532) 2.750 4.984 ( -0.992 -2.788 -3.177) 4.342 5.059 ( 1.445 0.171 1.733) 2.262 5.116 ( -2.887 0.473 -0.989) 3.088 5.272 ( -0.423 2.731 -0.210) 2.772 5.359 ( 6.090 -0.324 -0.915) 6.167 5.420 ( 9.372 -2.813 3.305) 10.328 5.525 ( 7.698 3.283 1.416) 8.488 5.634 ( 3.087 3.930 5.672) 7.559 5.703 ( -3.980 -1.752 0.359) 4.363 5.771 ( 4.922 3.984 3.916) 7.446 5.789 ( -9.953 2.865 -2.599) 10.678 5.833 ( 0.288 0.397 -0.208) 0.533 6.062 ( 1.863 1.918 1.571) 3.101 6.237 ( -4.053 -2.733 -2.274) 5.392 6.298 ( -1.913 2.428 -3.207) 4.454 8.112 ( -0.609 0.332 -2.126) 2.237 8.218 ( -1.210 2.330 1.857) 3.216 8.378 ( -4.129 0.569 -1.928) 4.592 8.434 ( -2.890 3.471 -0.613) 4.558 8.653 ( -2.285 -3.990 -2.184) 5.091 8.663 ( -1.312 -0.889 0.224) 1.600 8.926 ( -1.323 7.085 -1.523) 7.367 9.081 ( -0.857 0.360 -0.397) 1.011 9.317 ( 1.191 2.594 -2.018) 3.495 9.412 ( 0.784 -1.993 1.597) 2.672 9.509 ( 0.142 -1.470 2.242) 2.685 9.765 ( -0.255 -5.852 0.189) 5.860 9.827 ( -3.270 -7.973 -2.838) 9.073 10.075 ( -1.026 3.834 0.524) 4.003 10.520 ( 2.098 -12.102 0.565) 12.296 10.702 ( 2.560 -14.309 1.674) 14.632 10.984 ( 5.101 -11.093 2.035) 12.378 11.036 ( 0.577 -9.562 -0.927) 9.624 11.196 ( 3.070 -4.401 0.672) 5.408 11.209 ( 3.055 -3.171 1.403) 4.621 19.939 ( 0.168 0.523 0.114) 0.561 20.192 ( 0.149 -3.661 -0.136) 3.667 20.336 ( -0.015 -0.301 0.778) 0.834 20.363 ( -1.010 0.043 -1.974) 2.218 20.735 ( 2.482 -1.398 -0.695) 2.932 20.801 ( 4.264 4.398 -0.198) 6.129 21.158 ( -1.509 -3.775 0.021) 4.065 21.302 ( 0.213 7.063 1.221) 7.171 21.347 ( -2.530 2.644 -0.479) 3.690 21.731 ( -1.973 8.522 0.214) 8.750 22.306 ( 1.955 -8.898 -0.826) 9.148 22.526 ( 0.653 -0.023 -0.044) 0.655 22.677 ( 2.105 7.460 -0.638) 7.777 22.725 ( 0.019 8.296 0.548) 8.314 22.765 ( -3.583 9.406 0.580) 10.082 23.471 ( -0.466 -3.038 -0.076) 3.074 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 22.831 0.000) 22.831 0.956 ( 0.000 24.338 0.000) 24.338 1.460 ( 0.000 2.417 0.000) 2.417 1.479 ( 0.000 -1.797 0.000) 1.797 1.776 ( 0.000 34.036 0.000) 34.036 1.939 ( 0.000 -2.641 0.000) 2.641 2.064 ( 0.000 -8.491 0.000) 8.491 2.181 ( 0.000 2.200 0.000) 2.200 2.327 ( 0.000 4.324 0.000) 4.324 2.429 ( 0.000 10.487 0.000) 10.487 2.452 ( 0.000 0.415 0.000) 0.415 2.503 ( 0.000 5.289 0.000) 5.289 2.577 ( 0.000 -2.871 0.000) 2.871 2.800 ( 0.000 0.296 0.000) 0.296 2.809 ( 0.000 4.425 0.000) 4.425 2.919 ( 0.000 2.623 0.000) 2.623 2.932 ( 0.000 2.540 0.000) 2.540 2.997 ( 0.000 0.570 0.000) 0.570 3.086 ( 0.000 -6.504 0.000) 6.504 3.235 ( 0.000 9.075 0.000) 9.075 3.262 ( 0.000 9.862 0.000) 9.862 3.430 ( 0.000 17.646 0.000) 17.646 3.721 ( 0.000 -10.704 0.000) 10.704 3.758 ( 0.000 12.472 0.000) 12.472 3.786 ( 0.000 2.201 0.000) 2.201 4.004 ( 0.000 3.871 0.000) 3.871 4.069 ( 0.000 3.610 0.000) 3.610 4.110 ( 0.000 1.484 0.000) 1.484 4.304 ( 0.000 1.006 0.000) 1.006 4.438 ( 0.000 0.178 0.000) 0.178 4.542 ( 0.000 -1.114 0.000) 1.114 4.714 ( 0.000 3.326 0.000) 3.326 4.749 ( 0.000 4.148 0.000) 4.148 4.794 ( 0.000 -5.212 0.000) 5.212 4.860 ( 0.000 -3.739 0.000) 3.739 4.932 ( 0.000 -1.709 0.000) 1.709 4.993 ( 0.000 0.704 0.000) 0.704 5.118 ( 0.000 -8.393 0.000) 8.393 5.239 ( 0.000 1.532 0.000) 1.532 5.336 ( 0.000 0.290 0.000) 0.290 5.441 ( 0.000 6.409 0.000) 6.409 5.556 ( 0.000 1.219 0.000) 1.219 5.801 ( 0.000 3.346 0.000) 3.346 5.923 ( 0.000 6.642 0.000) 6.642 6.128 ( 0.000 -7.162 0.000) 7.162 6.261 ( 0.000 6.290 0.000) 6.290 6.313 ( 0.000 2.650 0.000) 2.650 6.869 ( 0.000 -18.459 0.000) 18.459 8.196 ( 0.000 2.835 0.000) 2.835 8.374 ( 0.000 4.324 0.000) 4.324 8.557 ( 0.000 -7.817 0.000) 7.817 8.621 ( 0.000 1.341 0.000) 1.341 8.772 ( 0.000 0.203 0.000) 0.203 8.963 ( 0.000 -5.402 0.000) 5.402 9.136 ( 0.000 0.112 0.000) 0.112 9.307 ( 0.000 14.073 0.000) 14.073 9.349 ( 0.000 2.573 0.000) 2.573 9.515 ( 0.000 -9.652 0.000) 9.652 9.544 ( 0.000 0.666 0.000) 0.666 9.766 ( 0.000 0.473 0.000) 0.473 9.803 ( 0.000 -0.478 0.000) 0.478 10.049 ( 0.000 7.100 0.000) 7.100 10.068 ( 0.000 -16.999 0.000) 16.999 10.139 ( 0.000 -20.477 0.000) 20.477 10.439 ( 0.000 -4.794 0.000) 4.794 10.500 ( 0.000 -3.220 0.000) 3.220 10.577 ( 0.000 -13.168 0.000) 13.168 10.736 ( 0.000 -10.462 0.000) 10.462 19.934 ( 0.000 1.163 0.000) 1.163 20.043 ( 0.000 -2.973 0.000) 2.973 20.296 ( 0.000 1.069 0.000) 1.069 20.330 ( 0.000 -0.522 0.000) 0.522 20.410 ( 0.000 1.905 0.000) 1.905 20.475 ( 0.000 -0.838 0.000) 0.838 20.748 ( 0.000 5.417 0.000) 5.417 21.305 ( 0.000 -8.616 0.000) 8.616 21.628 ( 0.000 9.728 0.000) 9.728 22.000 ( 0.000 -2.933 0.000) 2.933 22.213 ( 0.000 0.401 0.000) 0.401 22.326 ( 0.000 -4.651 0.000) 4.651 22.677 ( 0.000 6.349 0.000) 6.349 22.694 ( 0.000 5.754 0.000) 5.754 23.385 ( 0.000 20.122 0.000) 20.122 24.290 ( 0.000 -8.392 0.000) 8.392 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 5.723 18.140 7.441) 20.425 1.050 ( 7.917 20.735 3.403) 22.455 1.490 ( 5.039 2.934 3.007) 6.561 1.625 ( 5.969 -0.490 5.966) 8.454 1.897 ( 4.778 7.371 2.031) 9.016 1.960 ( 3.576 9.640 3.937) 11.010 2.051 ( -1.504 2.431 0.977) 3.021 2.141 ( -3.442 2.213 2.473) 4.781 2.294 ( 0.059 5.868 -7.069) 9.187 2.360 ( -1.821 3.443 -5.132) 6.442 2.461 ( -5.082 4.781 4.334) 8.214 2.531 ( 1.665 4.918 4.343) 6.769 2.564 ( 0.225 -1.192 -2.529) 2.805 2.761 ( -1.911 1.459 -4.139) 4.786 2.835 ( 1.832 4.927 -0.077) 5.257 2.854 ( -5.203 4.879 2.737) 7.640 2.948 ( -2.658 3.189 -1.297) 4.350 2.978 ( -0.170 0.451 -0.247) 0.542 3.056 ( -0.711 -2.706 -3.035) 4.128 3.218 ( -0.541 10.672 -0.184) 10.688 3.264 ( 2.802 1.320 -0.905) 3.227 3.446 ( 0.517 16.208 -0.105) 16.216 3.614 ( -5.522 -6.808 -2.327) 9.069 3.752 ( -1.977 5.600 4.595) 7.509 3.837 ( 4.615 6.924 -6.233) 10.397 4.052 ( -3.224 3.571 0.956) 4.905 4.104 ( 4.492 3.117 0.457) 5.487 4.120 ( 4.866 -1.469 -1.337) 5.256 4.332 ( 4.010 2.061 -1.514) 4.756 4.466 ( 1.454 -3.160 2.159) 4.094 4.518 ( -2.490 1.033 1.159) 2.935 4.636 ( -3.728 1.251 -1.337) 4.153 4.730 ( 0.226 2.373 1.427) 2.779 4.862 ( 2.764 -5.128 -2.749) 6.441 4.904 ( 1.166 -1.177 0.133) 1.662 4.916 ( 4.223 -0.896 -1.652) 4.622 5.042 ( 4.232 0.351 0.970) 4.356 5.171 ( 2.996 -4.347 -1.624) 5.524 5.241 ( 2.242 0.444 2.532) 3.411 5.326 ( -0.762 2.187 2.060) 3.100 5.539 ( 6.753 4.705 1.647) 8.393 5.569 ( 1.109 1.251 0.143) 1.678 5.756 ( -3.756 2.389 -0.930) 4.547 5.870 ( -3.396 5.357 -2.929) 6.986 6.080 ( -7.398 -6.604 4.309) 10.812 6.221 ( -6.327 4.760 -1.417) 8.044 6.300 ( 2.545 5.000 -0.129) 5.612 6.792 ( -6.787 -16.263 -3.262) 17.922 8.178 ( -1.126 3.430 -0.346) 3.627 8.424 ( 4.479 2.828 -1.031) 5.396 8.538 ( -0.704 -2.610 -2.077) 3.409 8.665 ( 3.190 0.237 -0.508) 3.239 8.742 ( -2.622 -1.316 1.586) 3.335 9.015 ( -0.113 -4.128 5.289) 6.710 9.065 ( -3.368 -0.322 -3.401) 4.797 9.277 ( -1.691 12.239 -0.486) 12.365 9.373 ( 0.479 1.512 2.394) 2.872 9.531 ( 2.021 3.126 -0.671) 3.782 9.622 ( -1.241 -5.693 -0.730) 5.873 9.690 ( -0.981 -6.101 1.109) 6.278 9.898 ( 5.930 -1.621 3.476) 7.062 10.042 ( -1.860 -8.475 -2.007) 8.906 10.062 ( 0.802 -8.289 -0.658) 8.353 10.193 ( 5.507 -16.140 0.460) 17.060 10.330 ( -7.626 -5.852 3.478) 10.222 10.508 ( -3.439 -8.803 1.689) 9.600 10.574 ( 3.347 -4.111 -5.561) 7.683 10.764 ( 8.273 -8.982 -2.549) 12.474 19.936 ( 0.476 1.234 -0.309) 1.358 20.062 ( 2.346 -3.758 -1.816) 4.788 20.299 ( -0.226 0.341 -0.230) 0.469 20.342 ( 2.622 -1.950 1.483) 3.588 20.504 ( 2.495 0.017 1.321) 2.823 20.599 ( 9.621 -4.081 6.358) 12.233 20.761 ( 4.909 8.556 -1.909) 10.047 21.324 ( 3.911 -6.257 -3.440) 8.142 21.627 ( -1.498 8.997 2.126) 9.365 22.035 ( -0.006 -5.975 2.936) 6.657 22.163 ( -3.369 0.979 -2.036) 4.056 22.320 ( 0.446 -5.286 -0.274) 5.312 22.698 ( 1.787 5.951 0.828) 6.269 22.702 ( 1.208 6.071 -0.259) 6.195 23.350 ( -3.957 19.597 0.167) 19.993 24.087 ( -15.006 -0.461 -6.839) 16.497 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 9.798 10.633 7.948) 16.500 1.261 ( 8.399 13.207 8.277) 17.705 1.616 ( 1.840 3.677 6.100) 7.356 1.743 ( 0.588 -0.155 4.488) 4.529 1.880 ( -4.291 -7.334 1.156) 8.576 1.948 ( -5.412 5.322 -4.453) 8.800 2.040 ( -1.321 -1.843 5.616) 6.057 2.203 ( -3.246 1.597 -5.471) 6.559 2.263 ( 6.528 11.945 -4.401) 14.306 2.307 ( 4.995 13.800 -0.398) 14.682 2.438 ( -3.747 4.511 5.966) 8.366 2.527 ( -4.223 -1.062 0.791) 4.426 2.564 ( -5.045 6.557 -2.032) 8.519 2.621 ( -2.921 3.785 0.191) 4.785 2.813 ( -1.210 3.212 -0.330) 3.448 2.826 ( -6.776 2.715 -0.793) 7.343 2.894 ( 2.476 7.263 -0.420) 7.685 2.985 ( 1.331 3.534 1.245) 3.976 3.069 ( 4.462 -1.891 -3.204) 5.809 3.254 ( 3.155 9.389 -1.745) 10.057 3.281 ( 0.237 3.204 -0.159) 3.217 3.438 ( 0.846 11.821 -1.273) 11.919 3.574 ( 0.897 -5.543 1.684) 5.862 3.774 ( -0.872 2.757 4.406) 5.270 3.808 ( -0.657 7.592 -6.881) 10.267 3.970 ( -3.482 2.084 -1.687) 4.395 4.157 ( 4.158 -0.438 -2.467) 4.855 4.192 ( 2.300 -0.738 -2.260) 3.308 4.402 ( 2.986 2.524 -0.957) 4.025 4.477 ( 0.177 2.692 -0.642) 2.773 4.533 ( 1.355 0.316 4.399) 4.614 4.629 ( 3.045 0.532 -0.487) 3.129 4.782 ( 3.065 0.123 1.407) 3.375 4.845 ( 1.025 -3.181 -0.581) 3.393 4.960 ( 3.165 -2.857 -0.979) 4.375 5.026 ( 8.811 -1.318 -0.583) 8.929 5.122 ( 4.963 0.550 -1.914) 5.348 5.209 ( 4.124 -1.366 1.422) 4.571 5.330 ( -1.586 3.090 1.588) 3.819 5.361 ( 4.914 -0.074 3.338) 5.941 5.545 ( -1.788 7.516 -4.403) 8.892 5.602 ( -2.360 4.306 3.251) 5.889 5.701 ( -1.631 0.919 -0.698) 1.998 5.881 ( 6.634 -2.373 4.652) 8.443 5.966 ( -8.679 -4.788 4.133) 10.740 6.123 ( -2.785 6.691 -0.397) 7.258 6.328 ( 1.340 4.489 -2.269) 5.205 6.573 ( -11.791 -12.555 -6.382) 18.368 8.164 ( -0.118 3.221 -0.109) 3.225 8.441 ( -2.270 -2.031 -2.478) 3.927 8.515 ( -0.655 6.682 1.161) 6.814 8.663 ( -0.273 -0.875 -2.807) 2.952 8.772 ( 1.415 -0.795 1.962) 2.546 8.925 ( -4.897 3.507 -3.792) 7.117 9.069 ( -1.245 -5.155 1.705) 5.570 9.174 ( -10.557 6.663 -0.306) 12.487 9.369 ( -2.893 -0.775 0.195) 3.001 9.458 ( -1.337 5.025 -2.778) 5.895 9.604 ( -1.158 4.053 -2.238) 4.772 9.707 ( -1.119 -9.712 -1.371) 9.872 9.945 ( -3.189 -7.558 -1.219) 8.293 10.004 ( -1.392 -13.658 0.677) 13.746 10.106 ( 3.450 -12.839 2.852) 13.597 10.235 ( -1.263 -8.972 2.046) 9.289 10.343 ( 10.136 -9.343 1.701) 13.890 10.621 ( 11.091 -7.467 6.717) 14.963 10.698 ( 9.773 -4.131 1.545) 10.722 10.883 ( 6.987 -9.577 -3.064) 12.244 19.944 ( 0.527 1.352 -0.071) 1.453 20.086 ( 1.803 -4.113 -1.129) 4.631 20.302 ( 0.251 0.101 0.985) 1.021 20.405 ( 0.803 -4.488 2.123) 5.029 20.570 ( 5.039 1.698 -0.319) 5.327 20.688 ( 4.019 0.797 -5.590) 6.931 20.982 ( 11.814 4.839 5.649) 13.960 21.376 ( 5.329 -0.027 -4.413) 6.919 21.595 ( -4.702 6.265 1.961) 8.075 21.968 ( -8.152 -4.406 2.170) 9.517 22.111 ( 0.158 -2.813 -3.502) 4.495 22.368 ( 3.228 -6.541 2.073) 7.583 22.728 ( 2.429 6.746 -0.705) 7.205 22.764 ( 3.531 5.379 2.152) 6.784 23.252 ( -6.691 18.348 0.042) 19.530 23.754 ( -13.583 4.435 -5.235) 15.218 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 4.518 7.045 0.947) 8.423 1.495 ( 0.975 4.791 8.862) 10.121 1.580 ( -5.793 5.541 3.679) 8.820 1.731 ( 0.883 1.892 -1.579) 2.618 1.800 ( -6.589 1.255 -2.267) 7.081 1.918 ( 3.165 -0.403 4.318) 5.369 2.057 ( -4.540 -1.206 -2.890) 5.515 2.106 ( 2.180 -2.763 4.420) 5.651 2.274 ( -5.203 4.389 -2.690) 7.319 2.318 ( -2.737 3.655 -1.442) 4.789 2.357 ( -1.148 6.061 -1.096) 6.265 2.483 ( 1.122 7.777 5.609) 9.654 2.561 ( 0.717 5.941 1.099) 6.084 2.586 ( -3.235 2.837 -1.538) 4.569 2.697 ( -3.988 3.660 0.318) 5.422 2.834 ( 0.632 3.116 1.025) 3.341 2.884 ( -1.262 7.181 -0.970) 7.355 3.031 ( 2.219 4.839 -0.523) 5.349 3.148 ( 5.668 -0.506 -2.924) 6.398 3.228 ( 0.538 8.638 -1.979) 8.878 3.333 ( 1.045 11.236 1.323) 11.362 3.480 ( 2.014 7.530 -0.002) 7.794 3.559 ( -2.684 0.007 -1.932) 3.307 3.654 ( -7.818 3.190 -2.781) 8.890 3.856 ( 4.559 1.878 1.921) 5.292 3.951 ( 2.185 1.063 -1.353) 2.781 4.182 ( -1.209 -0.139 -1.040) 1.601 4.204 ( 3.433 -3.533 -1.776) 5.236 4.396 ( -0.144 3.977 -2.230) 4.562 4.512 ( 3.680 5.143 -2.254) 6.714 4.607 ( 2.396 3.929 2.961) 5.472 4.659 ( 0.577 -1.858 -1.877) 2.703 4.838 ( 1.702 -1.642 1.289) 2.693 4.930 ( 6.498 -3.041 0.372) 7.184 4.995 ( 1.716 -4.391 0.392) 4.730 5.153 ( 4.180 2.835 -1.594) 5.296 5.225 ( 5.364 -3.123 0.074) 6.207 5.292 ( 0.419 4.708 0.767) 4.789 5.341 ( 3.611 2.092 -0.543) 4.208 5.412 ( 5.331 0.542 0.985) 5.448 5.550 ( 3.299 3.125 2.188) 5.044 5.655 ( 4.910 6.002 5.105) 9.284 5.690 ( -2.394 -1.684 4.434) 5.313 5.873 ( -4.042 -1.465 1.530) 4.563 5.997 ( -2.307 -4.053 2.772) 5.425 6.117 ( 1.832 7.609 -0.259) 7.831 6.292 ( -10.908 -10.340 -5.624) 16.048 6.338 ( 3.496 5.904 -1.419) 7.006 8.161 ( -0.106 2.274 -1.155) 2.553 8.344 ( -5.200 1.558 -1.877) 5.744 8.486 ( -4.604 2.927 2.679) 6.078 8.604 ( -6.180 0.109 -3.807) 7.259 8.734 ( -4.137 1.404 -2.501) 5.034 8.750 ( -7.273 4.648 -4.312) 9.648 9.031 ( 0.069 -1.138 0.927) 1.469 9.087 ( -0.126 -1.829 -1.047) 2.111 9.336 ( 0.270 0.008 -1.391) 1.417 9.427 ( -2.684 3.746 -1.191) 4.760 9.515 ( -3.312 2.427 0.983) 4.222 9.652 ( -1.977 -8.082 -2.477) 8.681 9.803 ( -6.161 -9.200 -6.067) 12.626 10.031 ( 1.500 -8.823 2.945) 9.422 10.216 ( 2.374 -15.991 3.437) 16.528 10.288 ( 4.212 -12.511 2.523) 13.440 10.574 ( 10.891 -9.598 3.075) 14.839 10.844 ( 4.756 -6.992 2.164) 8.729 10.920 ( 11.385 -7.088 3.071) 13.759 10.990 ( 7.363 -6.657 1.440) 10.030 19.952 ( 0.247 1.396 0.182) 1.429 20.105 ( 1.058 -4.243 -0.421) 4.393 20.321 ( 0.118 0.059 1.757) 1.762 20.395 ( -1.704 -2.195 -0.603) 2.843 20.683 ( 5.213 1.183 -0.400) 5.360 20.732 ( 8.309 2.200 -4.246) 9.587 21.171 ( 4.125 5.135 -0.110) 6.588 21.411 ( 2.232 4.432 -2.278) 5.460 21.490 ( -7.874 2.775 1.185) 8.433 21.881 ( -2.364 0.558 2.489) 3.478 22.096 ( 0.821 -6.801 -1.758) 7.072 22.438 ( 2.242 -6.254 1.476) 6.806 22.778 ( 3.699 8.095 -0.430) 8.910 22.848 ( 3.043 6.345 2.000) 7.316 23.121 ( -7.111 16.454 -0.350) 17.928 23.523 ( -8.087 1.640 -2.034) 8.499 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -4.980 2.896 -0.888) 5.829 1.438 ( 0.686 8.357 0.716) 8.416 1.535 ( -5.015 8.595 -3.633) 10.594 1.598 ( -5.467 1.133 -2.486) 6.111 1.908 ( 4.519 0.892 8.253) 9.451 1.999 ( 4.857 1.080 -2.926) 5.772 2.059 ( 1.061 -0.609 7.323) 7.425 2.139 ( -1.345 -0.180 -0.992) 1.681 2.168 ( -3.377 -1.123 -1.208) 3.759 2.279 ( -0.689 -2.151 4.644) 5.164 2.435 ( 7.550 10.660 -4.395) 13.782 2.452 ( -3.056 0.123 -1.926) 3.614 2.532 ( -3.028 -0.900 1.561) 3.523 2.583 ( -2.423 6.682 -0.115) 7.109 2.667 ( 0.693 11.451 2.081) 11.659 2.834 ( -0.108 4.670 0.412) 4.689 2.885 ( 0.469 4.161 0.279) 4.197 3.079 ( 4.305 3.862 -0.617) 5.817 3.165 ( 0.148 6.375 -3.034) 7.061 3.208 ( -3.081 8.677 -0.045) 9.208 3.350 ( 0.334 13.584 -1.691) 13.693 3.432 ( -3.672 -0.813 0.836) 3.853 3.478 ( -3.810 3.799 0.076) 5.381 3.590 ( 2.070 0.885 -2.039) 3.037 3.955 ( 2.297 -0.159 2.301) 3.256 3.984 ( 3.257 2.701 -0.272) 4.240 4.111 ( -4.548 3.432 -2.193) 6.105 4.262 ( 2.909 -2.905 0.425) 4.133 4.387 ( 0.622 0.192 -1.510) 1.645 4.554 ( 2.505 4.233 -0.932) 5.006 4.630 ( -1.012 -0.293 -0.832) 1.342 4.657 ( 0.346 4.587 1.144) 4.740 4.875 ( 1.072 -2.568 1.039) 2.970 4.963 ( 0.523 -0.458 -2.584) 2.676 5.044 ( 0.288 -2.850 0.868) 2.993 5.162 ( -0.243 4.679 -0.439) 4.706 5.267 ( 2.333 -1.685 0.669) 2.954 5.339 ( 1.209 -0.069 -1.547) 1.964 5.435 ( 6.092 2.123 1.584) 6.643 5.573 ( 7.406 -0.261 1.401) 7.542 5.601 ( -0.039 -2.040 0.749) 2.173 5.724 ( 0.960 1.534 4.214) 4.586 5.803 ( -6.766 -2.558 0.196) 7.236 5.819 ( 5.118 0.620 2.122) 5.575 5.883 ( -2.820 4.233 0.617) 5.123 6.068 ( -6.659 -3.772 -3.541) 8.433 6.222 ( 4.614 4.371 1.601) 6.554 6.388 ( 0.734 6.390 -0.581) 6.459 8.130 ( -1.076 1.685 -1.848) 2.723 8.249 ( -3.497 0.401 0.083) 3.520 8.392 ( -5.323 0.790 -2.019) 5.747 8.444 ( -2.925 -2.244 -0.409) 3.709 8.665 ( -0.365 2.892 -1.696) 3.372 8.676 ( -2.235 3.934 0.320) 4.536 9.036 ( 0.769 4.453 -1.798) 4.864 9.084 ( -0.180 -0.101 -0.166) 0.264 9.355 ( 2.038 -2.782 0.436) 3.476 9.388 ( -1.467 3.633 1.886) 4.349 9.476 ( -2.066 -1.929 -1.195) 3.069 9.620 ( 0.160 -9.086 -0.237) 9.090 9.670 ( -3.013 -8.231 -3.277) 9.358 10.093 ( 2.645 -2.831 1.130) 4.036 10.227 ( -1.736 -17.112 0.627) 17.211 10.385 ( 2.556 -16.890 1.432) 17.142 10.748 ( 4.906 -10.309 1.842) 11.564 10.878 ( 0.206 -8.290 -0.949) 8.347 11.084 ( 4.269 -6.101 0.919) 7.503 11.132 ( 3.668 -4.665 2.383) 6.395 19.955 ( 0.039 1.325 0.114) 1.331 20.115 ( 0.358 -4.209 -0.082) 4.225 20.333 ( -0.277 0.088 1.242) 1.276 20.361 ( -0.677 -0.334 -1.126) 1.355 20.737 ( 2.535 2.102 -1.179) 3.498 20.899 ( 9.537 4.383 0.662) 10.517 21.111 ( -6.679 -0.023 -2.693) 7.202 21.366 ( -3.528 -0.619 -1.532) 3.896 21.449 ( 0.670 7.982 1.771) 8.203 21.908 ( 1.255 9.039 1.608) 9.266 22.096 ( 0.268 -12.276 -0.667) 12.297 22.474 ( 0.742 -5.848 0.467) 5.913 22.847 ( 3.431 9.705 -0.118) 10.294 22.899 ( 1.099 9.036 0.977) 9.155 23.004 ( -4.758 14.318 -0.559) 15.099 23.417 ( -2.606 -2.363 -0.280) 3.529 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 17.852 0.000) 17.852 1.388 ( 0.000 21.800 0.000) 21.800 1.443 ( 0.000 -2.915 0.000) 2.915 1.515 ( 0.000 4.501 0.000) 4.501 1.709 ( 0.000 -14.696 0.000) 14.696 1.760 ( 0.000 -17.495 0.000) 17.495 2.262 ( 0.000 4.996 0.000) 4.996 2.328 ( 0.000 -2.007 0.000) 2.007 2.392 ( 0.000 18.890 0.000) 18.890 2.479 ( 0.000 2.539 0.000) 2.539 2.511 ( 0.000 -2.164 0.000) 2.164 2.572 ( 0.000 -0.354 0.000) 0.354 2.636 ( 0.000 7.019 0.000) 7.019 2.760 ( 0.000 -5.666 0.000) 5.666 2.887 ( 0.000 2.383 0.000) 2.383 2.903 ( 0.000 -1.220 0.000) 1.220 2.995 ( 0.000 5.200 0.000) 5.200 3.030 ( 0.000 -0.985 0.000) 0.985 3.049 ( 0.000 9.439 0.000) 9.439 3.329 ( 0.000 -6.958 0.000) 6.958 3.408 ( 0.000 5.011 0.000) 5.011 3.476 ( 0.000 -8.849 0.000) 8.849 3.726 ( 0.000 11.537 0.000) 11.537 3.827 ( 0.000 0.119 0.000) 0.119 3.962 ( 0.000 8.879 0.000) 8.879 4.065 ( 0.000 2.632 0.000) 2.632 4.083 ( 0.000 -3.929 0.000) 3.929 4.099 ( 0.000 -0.830 0.000) 0.830 4.341 ( 0.000 2.759 0.000) 2.759 4.394 ( 0.000 -2.690 0.000) 2.690 4.616 ( 0.000 4.826 0.000) 4.826 4.669 ( 0.000 -2.536 0.000) 2.536 4.801 ( 0.000 1.496 0.000) 1.496 4.822 ( 0.000 1.743 0.000) 1.743 4.844 ( 0.000 2.465 0.000) 2.465 4.911 ( 0.000 -2.992 0.000) 2.992 4.980 ( 0.000 -3.037 0.000) 3.037 4.996 ( 0.000 -1.089 0.000) 1.089 5.272 ( 0.000 2.608 0.000) 2.608 5.324 ( 0.000 -2.105 0.000) 2.105 5.539 ( 0.000 3.238 0.000) 3.238 5.564 ( 0.000 -0.152 0.000) 0.152 5.874 ( 0.000 4.984 0.000) 4.984 5.990 ( 0.000 -7.207 0.000) 7.207 6.117 ( 0.000 15.109 0.000) 15.109 6.352 ( 0.000 2.758 0.000) 2.758 6.363 ( 0.000 1.764 0.000) 1.764 6.479 ( 0.000 -21.793 0.000) 21.793 8.282 ( 0.000 5.837 0.000) 5.837 8.393 ( 0.000 -5.325 0.000) 5.325 8.506 ( 0.000 5.155 0.000) 5.155 8.611 ( 0.000 -4.020 0.000) 4.020 8.767 ( 0.000 2.531 0.000) 2.531 8.857 ( 0.000 -5.758 0.000) 5.758 9.184 ( 0.000 5.451 0.000) 5.451 9.314 ( 0.000 -6.856 0.000) 6.856 9.438 ( 0.000 2.577 0.000) 2.577 9.533 ( 0.000 -2.648 0.000) 2.648 9.588 ( 0.000 6.488 0.000) 6.488 9.699 ( 0.000 2.313 0.000) 2.313 9.729 ( 0.000 -11.348 0.000) 11.348 9.815 ( 0.000 -6.515 0.000) 6.515 9.949 ( 0.000 5.169 0.000) 5.169 10.159 ( 0.000 -7.001 0.000) 7.001 10.259 ( 0.000 -0.349 0.000) 0.349 10.408 ( 0.000 -7.830 0.000) 7.830 10.497 ( 0.000 1.491 0.000) 1.491 10.563 ( 0.000 -6.384 0.000) 6.384 19.960 ( 0.000 1.641 0.000) 1.641 19.995 ( 0.000 -2.191 0.000) 2.191 20.310 ( 0.000 0.597 0.000) 0.597 20.320 ( 0.000 -0.533 0.000) 0.533 20.436 ( 0.000 1.130 0.000) 1.130 20.457 ( 0.000 -1.097 0.000) 1.097 20.906 ( 0.000 10.639 0.000) 10.639 21.116 ( 0.000 -11.235 0.000) 11.235 21.789 ( 0.000 7.650 0.000) 7.650 21.916 ( 0.000 -5.863 0.000) 5.863 22.226 ( 0.000 1.064 0.000) 1.064 22.258 ( 0.000 -2.586 0.000) 2.586 22.771 ( 0.000 3.039 0.000) 3.039 22.777 ( 0.000 2.440 0.000) 2.440 23.764 ( 0.000 19.406 0.000) 19.406 24.081 ( 0.000 -14.192 0.000) 14.192 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 1.607 16.536 3.845) 17.053 1.419 ( 2.037 16.101 2.140) 16.370 1.527 ( 5.453 0.048 4.135) 6.844 1.619 ( 5.946 1.402 5.211) 8.029 1.720 ( 0.535 -11.104 0.978) 11.159 1.786 ( 2.671 -15.258 1.666) 15.579 2.216 ( -5.172 5.214 0.223) 7.348 2.295 ( -3.208 -2.976 -1.496) 4.625 2.432 ( 1.024 5.259 -3.141) 6.211 2.449 ( 1.517 7.577 -2.054) 7.996 2.524 ( 2.013 3.143 0.854) 3.829 2.583 ( -0.238 3.431 -2.107) 4.033 2.642 ( 0.098 5.328 4.308) 6.852 2.755 ( -1.329 -3.600 0.026) 3.838 2.915 ( -2.552 1.803 2.745) 4.159 2.923 ( 3.279 0.972 0.726) 3.496 2.963 ( -3.400 1.499 -1.828) 4.141 3.009 ( 1.276 -2.807 -1.933) 3.639 3.050 ( 2.143 12.424 -2.422) 12.838 3.279 ( -2.180 -3.254 -5.058) 6.397 3.362 ( -2.324 3.551 -0.265) 4.253 3.434 ( -0.169 -9.394 0.797) 9.430 3.716 ( -2.901 10.270 0.756) 10.699 3.806 ( -4.512 -0.008 4.137) 6.121 3.993 ( 1.798 5.941 -6.021) 8.647 4.060 ( -0.270 -2.201 -2.045) 3.016 4.115 ( 5.124 2.567 0.275) 5.738 4.154 ( 3.408 0.635 1.521) 3.785 4.363 ( 1.869 1.405 0.943) 2.521 4.397 ( 0.607 -2.636 1.330) 3.015 4.593 ( -1.894 4.528 -0.779) 4.969 4.642 ( -1.391 -0.634 0.090) 1.532 4.767 ( 0.396 2.221 3.221) 3.932 4.817 ( -1.339 -1.632 -0.340) 2.138 4.909 ( 2.462 0.142 -1.467) 2.869 4.915 ( 4.948 0.315 -2.055) 5.367 5.013 ( 3.989 -0.244 -0.492) 4.027 5.081 ( 6.402 -4.789 -2.192) 8.290 5.276 ( 0.267 3.301 1.716) 3.729 5.336 ( -0.405 -1.874 2.892) 3.470 5.595 ( 4.108 1.886 -1.025) 4.636 5.614 ( 7.219 1.198 0.758) 7.357 5.829 ( -5.395 5.959 0.795) 8.078 5.952 ( -5.538 -6.827 3.019) 9.295 6.038 ( -6.193 13.778 -2.625) 15.332 6.285 ( -6.222 -1.872 -0.204) 6.500 6.367 ( 0.648 1.760 0.181) 1.885 6.446 ( -2.955 -15.882 -2.266) 16.313 8.269 ( -0.580 6.097 -1.006) 6.206 8.390 ( 0.074 -6.250 -1.419) 6.410 8.555 ( 5.144 5.184 -1.359) 7.429 8.646 ( 3.609 -3.375 -2.199) 5.408 8.762 ( -0.652 4.228 1.566) 4.556 8.880 ( 1.025 -7.737 2.800) 8.292 9.156 ( -2.676 8.384 -1.443) 8.918 9.336 ( 0.021 -7.476 1.145) 7.563 9.457 ( 2.080 0.282 -0.957) 2.307 9.537 ( -1.585 -5.827 2.946) 6.720 9.572 ( -7.201 7.116 -2.307) 10.384 9.609 ( 2.052 3.776 0.987) 4.410 9.794 ( 1.273 -7.960 2.195) 8.355 9.871 ( 3.433 -12.001 0.479) 12.492 9.959 ( -2.426 3.745 1.445) 4.691 10.033 ( -7.193 -3.157 -1.756) 8.049 10.282 ( -1.388 -0.955 2.457) 2.979 10.329 ( 0.260 -7.153 -0.083) 7.159 10.563 ( 6.404 1.351 -2.940) 7.175 10.624 ( 6.496 -5.477 -2.169) 8.769 19.964 ( 0.683 1.792 -0.423) 1.964 20.004 ( 1.223 -2.541 -0.810) 2.934 20.303 ( -0.540 0.326 0.407) 0.750 20.315 ( 0.210 -0.971 1.075) 1.463 20.514 ( 4.182 1.035 2.226) 4.849 20.544 ( 6.244 -2.169 3.843) 7.646 20.956 ( 7.619 11.544 -2.503) 14.056 21.166 ( 7.278 -10.358 -3.032) 13.017 21.779 ( -2.458 7.446 1.345) 7.956 21.913 ( -2.293 -7.000 1.485) 7.514 22.191 ( -2.648 2.004 -0.875) 3.434 22.240 ( -1.047 -3.366 -0.261) 3.535 22.787 ( 1.611 2.884 0.223) 3.311 22.790 ( 1.527 2.619 0.097) 3.033 23.707 ( -5.689 17.651 -0.604) 18.555 23.977 ( -9.029 -10.680 -2.944) 14.291 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 3.806 10.925 6.678) 13.358 1.481 ( 1.164 7.012 4.842) 8.600 1.662 ( 2.390 0.059 6.726) 7.139 1.726 ( -2.050 -5.290 3.091) 6.460 1.753 ( 4.362 1.589 2.887) 5.467 1.877 ( 3.609 -9.338 4.033) 10.793 2.080 ( -6.928 5.854 -4.453) 10.104 2.172 ( -6.101 -3.652 -5.632) 9.071 2.410 ( 0.895 4.240 -2.458) 4.982 2.457 ( 2.070 0.299 -2.429) 3.205 2.510 ( -6.214 3.672 1.002) 7.287 2.558 ( -4.464 2.215 -1.964) 5.356 2.683 ( -1.160 2.011 -1.002) 2.529 2.691 ( -1.240 2.768 -0.194) 3.039 2.849 ( -7.110 2.921 2.113) 7.972 2.878 ( -2.389 1.512 3.127) 4.215 2.996 ( 0.868 1.076 -2.205) 2.603 3.012 ( 3.928 -1.788 -2.799) 5.144 3.108 ( 5.566 10.143 -1.390) 11.653 3.254 ( 3.560 -4.500 -1.662) 5.974 3.402 ( 5.380 6.226 2.789) 8.688 3.508 ( 5.277 -2.863 2.270) 6.418 3.651 ( -3.660 7.609 -0.094) 8.444 3.749 ( -4.851 -4.092 2.952) 6.999 3.957 ( -0.151 5.815 -5.229) 7.822 4.002 ( -1.702 0.508 -3.361) 3.801 4.160 ( 0.906 1.509 -3.072) 3.540 4.184 ( 0.208 -0.766 -1.474) 1.674 4.431 ( 2.935 1.233 3.591) 4.799 4.464 ( 3.287 -1.721 3.810) 5.318 4.609 ( 3.969 5.118 -0.088) 6.478 4.660 ( 2.847 0.643 -1.740) 3.398 4.797 ( 0.151 0.018 1.102) 1.112 4.812 ( 1.696 -0.888 1.115) 2.215 4.952 ( 2.866 3.475 -3.564) 5.744 5.011 ( 7.358 -0.970 0.791) 7.464 5.100 ( 7.289 -0.994 -2.554) 7.787 5.160 ( 6.986 -5.090 -3.531) 9.337 5.326 ( 1.650 0.786 3.485) 3.935 5.360 ( -0.551 -1.080 4.615) 4.771 5.665 ( 0.595 3.207 3.156) 4.539 5.692 ( -6.035 1.965 0.804) 6.398 5.789 ( 5.447 6.558 1.684) 8.690 5.865 ( -4.845 -2.347 2.862) 6.097 5.906 ( -4.456 7.084 -2.114) 8.632 6.180 ( -5.001 -9.957 -1.417) 11.232 6.333 ( -4.650 -1.457 -2.071) 5.295 6.379 ( 0.979 -1.583 -2.214) 2.893 8.249 ( -0.869 5.734 -0.533) 5.824 8.362 ( -1.788 -5.817 -1.050) 6.175 8.625 ( 2.177 4.101 -0.463) 4.666 8.655 ( -0.172 -0.051 -1.613) 1.623 8.804 ( 2.995 4.316 1.949) 5.603 8.934 ( 1.225 -8.401 2.932) 8.982 9.037 ( -6.493 8.835 -5.716) 12.365 9.212 ( -12.729 -6.699 -7.534) 16.238 9.418 ( -4.309 6.222 -0.174) 7.571 9.468 ( 0.672 -1.769 -1.967) 2.729 9.529 ( -2.782 -2.109 2.176) 4.113 9.707 ( 1.567 -9.604 0.634) 9.752 9.744 ( -5.940 2.171 0.114) 6.325 9.871 ( -2.617 1.192 -1.422) 3.208 9.909 ( 0.376 -9.997 1.670) 10.143 9.982 ( 1.839 -11.147 1.946) 11.464 10.358 ( 8.202 6.072 3.240) 10.707 10.494 ( 10.632 -7.263 4.827) 13.751 10.673 ( 7.813 0.887 0.389) 7.873 10.731 ( 7.175 -5.697 -1.028) 9.219 19.975 ( 0.786 1.996 -0.280) 2.164 20.020 ( 1.255 -2.932 -0.664) 3.258 20.311 ( 0.046 0.984 1.873) 2.116 20.342 ( 0.310 -2.413 2.451) 3.453 20.609 ( 5.376 2.517 -0.233) 5.941 20.661 ( 5.268 -2.729 -1.452) 6.108 21.144 ( 13.634 10.584 -1.370) 17.314 21.316 ( 12.080 -6.661 -4.575) 14.534 21.699 ( -8.119 5.498 1.714) 9.954 21.824 ( -8.606 -8.200 1.850) 12.031 22.146 ( -1.294 4.518 -0.198) 4.703 22.248 ( 1.367 -6.138 1.354) 6.432 22.830 ( 3.181 3.482 0.054) 4.717 22.842 ( 3.623 2.186 0.903) 4.327 23.564 ( -8.920 14.063 -0.732) 16.669 23.748 ( -11.887 -5.220 -3.088) 13.345 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.739 4.861 1.686) 5.198 1.535 ( -3.861 -0.278 3.866) 5.470 1.682 ( -2.464 3.924 4.997) 6.815 1.723 ( -2.235 -1.378 4.434) 5.153 1.861 ( 4.571 4.515 0.228) 6.429 1.962 ( -0.642 4.579 -0.781) 4.690 1.977 ( 3.480 -6.634 1.444) 7.629 2.044 ( -1.488 -3.218 -0.211) 3.552 2.327 ( -12.215 1.779 0.496) 12.354 2.341 ( -10.752 -0.009 2.355) 11.007 2.454 ( 3.902 3.550 -4.688) 7.057 2.493 ( 1.566 -1.391 -1.668) 2.677 2.627 ( -3.412 1.512 -2.632) 4.566 2.653 ( -0.584 -0.433 -1.463) 1.634 2.821 ( -1.087 7.209 4.294) 8.462 2.883 ( 0.303 0.924 0.835) 1.282 2.976 ( -0.504 2.716 -1.621) 3.203 3.023 ( 1.534 -3.321 -3.498) 5.062 3.230 ( 6.295 7.510 0.338) 9.805 3.314 ( 2.290 -0.366 -0.026) 2.319 3.495 ( 0.328 6.762 1.299) 6.894 3.575 ( -1.362 0.743 -0.144) 1.558 3.627 ( 1.246 4.562 -0.321) 4.740 3.679 ( -3.580 -2.075 -1.741) 4.490 3.907 ( 0.339 5.173 -0.912) 5.264 3.974 ( 1.314 -0.583 -2.759) 3.111 4.162 ( 1.459 -0.007 -0.688) 1.613 4.175 ( 1.446 -0.883 -0.317) 1.723 4.502 ( 1.090 5.276 1.500) 5.593 4.557 ( 2.870 -0.235 2.901) 4.088 4.633 ( -0.106 0.853 -2.968) 3.090 4.666 ( 0.928 -0.903 -2.974) 3.243 4.853 ( 3.731 3.002 1.079) 4.908 4.903 ( 5.440 -1.512 0.152) 5.648 4.972 ( 3.668 4.571 -1.964) 6.181 5.109 ( 3.431 -7.579 -2.171) 8.598 5.225 ( 7.746 3.413 -1.390) 8.578 5.301 ( 9.196 -3.926 -0.028) 9.999 5.382 ( -0.210 2.673 4.800) 5.499 5.410 ( 2.145 -0.655 3.872) 4.475 5.605 ( -1.204 3.615 0.030) 3.810 5.669 ( -1.813 -2.298 4.068) 5.012 5.794 ( -3.047 9.508 0.272) 9.988 5.864 ( -1.255 0.809 2.885) 3.249 5.921 ( 0.858 -3.137 3.206) 4.567 6.043 ( -6.300 -13.139 -2.052) 14.715 6.298 ( 2.652 8.712 -1.364) 9.208 6.400 ( 3.350 -0.928 -0.901) 3.591 8.225 ( -1.454 4.382 -0.577) 4.653 8.309 ( -3.403 -4.071 -0.436) 5.324 8.565 ( -8.217 4.271 0.098) 9.261 8.611 ( -8.321 -0.096 -0.598) 8.343 8.789 ( -4.217 3.344 -4.994) 7.342 8.818 ( -7.690 1.209 -5.378) 9.462 8.990 ( 4.181 -1.013 0.596) 4.343 9.030 ( 1.964 -3.853 -0.753) 4.389 9.356 ( -1.680 3.078 -3.152) 4.715 9.455 ( 0.486 -5.429 -3.225) 6.333 9.486 ( -3.263 -0.423 1.325) 3.547 9.545 ( -7.239 -5.103 -1.471) 8.978 9.711 ( -3.179 3.629 -3.972) 6.249 9.865 ( 1.752 -9.085 -1.808) 9.427 9.989 ( 3.379 -4.076 6.155) 8.119 10.068 ( 3.020 -9.835 3.895) 11.001 10.543 ( 7.841 4.610 2.438) 9.417 10.683 ( 5.181 -9.319 1.304) 10.742 10.854 ( 9.681 -0.069 3.126) 10.174 10.894 ( 8.791 -3.848 3.629) 10.260 19.985 ( 0.421 2.189 -0.006) 2.229 20.035 ( 0.802 -3.218 -0.259) 3.326 20.330 ( -0.235 1.010 2.214) 2.445 20.357 ( -0.748 -1.787 1.572) 2.495 20.715 ( 6.626 2.045 -1.391) 7.072 20.746 ( 7.939 -0.823 -2.979) 8.519 21.316 ( 5.262 8.886 -7.504) 12.765 21.431 ( 3.813 -2.576 -8.673) 9.819 21.562 ( -7.554 5.867 7.348) 12.062 21.733 ( -1.737 -11.885 5.721) 13.304 22.134 ( -0.658 7.424 0.607) 7.478 22.292 ( 1.449 -8.774 1.493) 9.017 22.904 ( 4.743 4.605 0.302) 6.617 22.931 ( 4.841 1.824 1.085) 5.286 23.389 ( -9.150 11.218 -0.716) 14.494 23.521 ( -10.158 -2.968 -1.649) 10.710 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -4.622 3.233 -0.764) 5.692 1.462 ( -2.861 -2.605 -0.358) 3.886 1.636 ( -2.664 5.601 0.945) 6.274 1.694 ( -2.886 1.048 -2.756) 4.126 1.977 ( 3.145 6.679 6.580) 9.889 2.019 ( 4.475 1.084 -0.437) 4.625 2.042 ( 2.739 -1.129 2.565) 3.918 2.095 ( 2.505 -4.638 0.014) 5.271 2.174 ( -5.714 1.563 1.779) 6.185 2.219 ( -4.102 -3.296 2.979) 6.047 2.449 ( -1.714 0.817 -2.820) 3.400 2.484 ( -0.205 -2.310 -2.723) 3.577 2.590 ( 1.780 4.938 0.181) 5.253 2.642 ( -0.348 -0.400 -0.318) 0.618 2.855 ( 1.228 6.781 2.111) 7.208 2.901 ( 1.926 2.326 -0.919) 3.156 2.947 ( -2.273 2.468 0.263) 3.365 3.023 ( 1.153 -5.563 -1.838) 5.971 3.280 ( -1.109 4.657 -0.528) 4.817 3.330 ( 1.290 0.624 1.416) 2.015 3.449 ( -6.031 4.701 -1.923) 7.885 3.518 ( 1.054 0.333 -2.121) 2.392 3.602 ( -2.124 8.038 -0.036) 8.314 3.646 ( 0.920 2.742 -1.655) 3.332 3.954 ( 2.119 1.183 1.216) 2.714 3.995 ( 2.401 -1.646 -0.144) 2.914 4.165 ( -1.068 3.684 -0.035) 3.835 4.229 ( 2.593 -2.195 0.488) 3.432 4.489 ( -0.970 8.739 -1.561) 8.930 4.609 ( 0.797 1.118 1.160) 1.797 4.619 ( 0.147 -0.364 -0.352) 0.527 4.648 ( -0.349 -6.022 -0.982) 6.111 4.895 ( 1.046 3.740 -0.363) 3.900 4.951 ( 1.434 -1.429 -1.588) 2.573 5.029 ( 1.588 2.985 -0.353) 3.400 5.134 ( 1.369 -6.518 -0.451) 6.676 5.332 ( 3.640 6.664 -0.041) 7.593 5.378 ( -0.565 3.626 0.008) 3.669 5.447 ( 4.073 -1.246 1.919) 4.672 5.498 ( 2.771 -5.262 2.261) 6.362 5.630 ( 2.901 3.587 -0.262) 4.621 5.722 ( -2.120 -5.353 0.448) 5.775 5.760 ( 0.415 2.514 1.287) 2.854 5.807 ( -0.074 -1.957 0.345) 1.989 5.926 ( -1.984 1.041 2.320) 3.225 5.968 ( -3.755 -4.531 0.168) 5.887 6.371 ( 4.155 8.751 0.528) 9.701 6.464 ( 2.507 -0.038 0.286) 2.523 8.174 ( -2.597 2.844 -1.503) 4.134 8.226 ( -4.225 -2.479 -0.807) 4.965 8.404 ( -5.897 0.501 -2.230) 6.324 8.413 ( -4.565 -0.754 -0.750) 4.687 8.717 ( -0.652 3.379 -0.842) 3.542 8.749 ( -1.007 1.231 -0.025) 1.591 9.073 ( 2.403 0.015 -0.116) 2.406 9.083 ( 2.577 -0.348 0.509) 2.649 9.316 ( 0.272 0.910 -0.948) 1.342 9.410 ( -2.420 -6.899 -3.035) 7.916 9.447 ( -1.369 -0.040 -0.266) 1.395 9.460 ( -1.342 -3.730 0.408) 3.985 9.635 ( -1.541 7.316 -1.497) 7.625 9.875 ( 0.995 -16.048 -1.184) 16.122 10.072 ( 0.621 -1.023 2.822) 3.065 10.140 ( 1.605 -8.518 1.620) 8.818 10.664 ( 3.328 0.717 1.027) 3.556 10.737 ( 1.057 -6.343 -0.204) 6.434 11.015 ( 4.239 -0.768 1.592) 4.593 11.049 ( 3.799 -3.781 2.230) 5.805 19.989 ( 0.099 2.339 0.037) 2.341 20.043 ( 0.270 -3.428 -0.045) 3.439 20.340 ( -0.329 0.577 1.034) 1.229 20.352 ( -0.451 -0.629 0.210) 0.803 20.807 ( 4.233 4.885 -0.906) 6.527 20.896 ( 8.154 -3.843 0.320) 9.020 21.197 ( -6.669 7.590 -4.417) 11.027 21.319 ( -4.195 -4.607 -3.386) 7.091 21.605 ( 1.537 9.348 2.857) 9.895 21.815 ( 2.889 -12.967 2.252) 13.475 22.125 ( -0.694 10.275 0.284) 10.303 22.319 ( 0.483 -10.026 0.596) 10.056 22.995 ( 4.191 5.246 0.196) 6.717 23.018 ( 3.009 2.944 0.668) 4.262 23.240 ( -5.604 10.074 -0.552) 11.541 23.368 ( -4.945 -3.933 -0.389) 6.330 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -9.021 0.000 20.618) 22.505 0.475 ( -1.181 0.000 24.297) 24.326 0.877 ( 2.819 0.000 43.339) 43.430 1.328 ( 0.730 0.000 -7.319) 7.355 1.564 ( -1.203 0.000 -7.836) 7.928 1.838 ( 3.591 0.000 11.515) 12.062 1.931 ( -0.956 0.000 4.492) 4.593 2.053 ( 8.133 0.000 -8.739) 11.938 2.257 ( 3.345 0.000 0.865) 3.455 2.397 ( -4.541 0.000 -1.802) 4.885 2.498 ( -0.118 0.000 0.716) 0.726 2.571 ( 0.812 0.000 3.681) 3.770 2.603 ( 1.039 0.000 -0.027) 1.039 2.616 ( -1.669 0.000 1.680) 2.368 2.707 ( -8.348 0.000 1.216) 8.436 2.759 ( -0.858 0.000 2.251) 2.409 2.937 ( 2.539 0.000 0.178) 2.545 2.942 ( -3.818 0.000 -8.545) 9.359 3.120 ( -2.358 0.000 -2.742) 3.616 3.128 ( 3.466 0.000 -1.890) 3.948 3.169 ( -0.148 0.000 -5.150) 5.152 3.282 ( -3.000 0.000 -9.555) 10.015 3.460 ( -2.313 0.000 8.243) 8.561 3.815 ( 2.418 0.000 -3.389) 4.163 3.817 ( -6.055 0.000 0.644) 6.089 3.942 ( -1.514 0.000 1.053) 1.844 4.005 ( -7.440 0.000 2.323) 7.794 4.111 ( 0.675 0.000 -9.345) 9.370 4.178 ( -4.139 0.000 2.104) 4.644 4.396 ( 3.050 0.000 1.968) 3.630 4.593 ( -3.304 0.000 1.202) 3.516 4.691 ( 1.898 0.000 -4.611) 4.986 4.866 ( 6.851 0.000 0.228) 6.854 4.889 ( -1.379 0.000 -0.433) 1.445 4.921 ( 7.984 0.000 0.735) 8.018 4.974 ( -1.050 0.000 -1.625) 1.935 4.988 ( -7.666 0.000 1.334) 7.781 5.199 ( 0.856 0.000 2.660) 2.794 5.284 ( 6.182 0.000 -3.543) 7.125 5.302 ( 2.106 0.000 2.777) 3.485 5.359 ( -2.860 0.000 4.426) 5.269 5.558 ( 0.105 0.000 -3.118) 3.120 5.580 ( -0.963 0.000 1.760) 2.006 5.755 ( 1.501 0.000 -5.885) 6.073 6.058 ( 3.741 0.000 -0.718) 3.810 6.227 ( -4.719 0.000 -5.097) 6.946 6.350 ( 3.228 0.000 7.795) 8.437 6.988 ( -3.494 0.000 -6.321) 7.222 8.214 ( 3.888 0.000 1.389) 4.129 8.324 ( -2.857 0.000 2.677) 3.915 8.469 ( 1.158 0.000 -1.584) 1.962 8.539 ( -5.073 0.000 -2.425) 5.623 8.842 ( 8.751 0.000 6.529) 10.919 9.145 ( -4.282 0.000 -0.926) 4.381 9.203 ( 1.480 0.000 0.664) 1.622 9.291 ( -2.422 0.000 2.834) 3.728 9.330 ( -10.698 0.000 1.540) 10.808 9.481 ( -9.855 0.000 -4.008) 10.639 9.710 ( -8.523 0.000 2.949) 9.019 9.804 ( 5.163 0.000 3.966) 6.510 9.846 ( 18.090 0.000 -2.009) 18.201 10.056 ( 4.226 0.000 1.589) 4.515 10.308 ( -1.362 0.000 -0.732) 1.546 10.409 ( -4.479 0.000 -3.928) 5.957 10.620 ( 1.735 0.000 -0.196) 1.746 10.654 ( 2.765 0.000 -0.195) 2.772 10.817 ( -0.164 0.000 1.568) 1.576 10.932 ( -2.427 0.000 -2.861) 3.752 19.939 ( -1.459 0.000 2.833) 3.187 20.183 ( 1.429 0.000 -2.988) 3.312 20.230 ( -9.140 0.000 1.571) 9.274 20.331 ( 1.116 0.000 -0.330) 1.163 20.498 ( 0.733 0.000 0.857) 1.127 20.692 ( -0.518 0.000 -5.612) 5.636 21.045 ( 0.714 0.000 3.640) 3.709 21.186 ( -6.341 0.000 -1.143) 6.444 21.525 ( -1.784 0.000 5.423) 5.709 22.048 ( 4.774 0.000 -10.234) 11.292 22.416 ( -6.799 0.000 5.803) 8.939 22.506 ( 0.290 0.000 -0.843) 0.892 22.572 ( -2.877 0.000 2.393) 3.742 22.729 ( 19.048 0.000 0.077) 19.048 22.801 ( 0.622 0.000 1.129) 1.289 22.952 ( 15.651 0.000 -2.446) 15.841 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 15.986 0.000 11.575) 19.737 0.794 ( 10.553 0.000 18.727) 21.496 1.371 ( 12.336 0.000 17.944) 21.776 1.381 ( 10.176 0.000 -6.005) 11.816 1.540 ( 4.785 0.000 2.052) 5.206 1.937 ( -2.047 0.000 3.625) 4.163 2.003 ( 4.236 0.000 5.082) 6.616 2.090 ( -1.859 0.000 2.481) 3.100 2.295 ( -3.413 0.000 -3.135) 4.634 2.310 ( -0.103 0.000 2.309) 2.311 2.485 ( -2.267 0.000 0.940) 2.454 2.496 ( -8.934 0.000 -0.576) 8.953 2.594 ( -2.223 0.000 0.280) 2.240 2.605 ( -2.751 0.000 2.477) 3.702 2.638 ( 0.805 0.000 0.106) 0.812 2.689 ( -6.023 0.000 -1.437) 6.192 2.792 ( -5.376 0.000 1.365) 5.547 2.974 ( 1.384 0.000 -0.834) 1.616 2.980 ( -5.467 0.000 3.002) 6.237 3.081 ( -2.147 0.000 -14.496) 14.654 3.132 ( 1.632 0.000 -7.391) 7.569 3.171 ( 0.587 0.000 -1.962) 2.048 3.529 ( 0.573 0.000 9.316) 9.334 3.804 ( 1.645 0.000 -3.261) 3.653 3.839 ( -3.605 0.000 0.547) 3.647 3.942 ( 6.819 0.000 -4.979) 8.443 4.039 ( -1.240 0.000 11.370) 11.437 4.122 ( -1.270 0.000 -1.225) 1.764 4.146 ( 9.409 0.000 -4.729) 10.530 4.492 ( 5.987 0.000 1.091) 6.085 4.499 ( -7.087 0.000 -2.667) 7.572 4.670 ( -0.857 0.000 -0.133) 0.867 4.857 ( 0.852 0.000 -1.445) 1.678 4.924 ( 4.501 0.000 -0.074) 4.502 4.941 ( 1.822 0.000 2.109) 2.787 4.971 ( 1.443 0.000 -0.654) 1.584 5.023 ( 2.139 0.000 -0.716) 2.256 5.242 ( -3.415 0.000 -1.608) 3.774 5.253 ( 0.769 0.000 4.126) 4.197 5.362 ( 0.519 0.000 5.237) 5.263 5.412 ( 0.472 0.000 0.308) 0.564 5.526 ( -2.537 0.000 -8.921) 9.275 5.634 ( 4.844 0.000 -0.968) 4.940 5.776 ( 9.750 0.000 -3.148) 10.246 6.032 ( -7.672 0.000 -5.571) 9.481 6.148 ( 3.303 0.000 1.002) 3.451 6.398 ( -8.338 0.000 12.026) 14.634 6.786 ( -7.838 0.000 -10.905) 13.430 8.197 ( -3.852 0.000 4.073) 5.606 8.370 ( -6.573 0.000 -5.650) 8.668 8.429 ( 6.539 0.000 3.726) 7.526 8.556 ( 6.805 0.000 -2.149) 7.137 8.949 ( -11.137 0.000 -2.083) 11.330 9.082 ( 5.977 0.000 6.873) 9.109 9.105 ( -12.577 0.000 -1.497) 12.666 9.162 ( -4.568 0.000 -0.001) 4.568 9.322 ( -2.707 0.000 8.069) 8.511 9.394 ( 0.101 0.000 0.466) 0.477 9.521 ( -7.059 0.000 -1.078) 7.141 10.012 ( -0.007 0.000 -2.611) 2.611 10.019 ( 8.480 0.000 3.663) 9.237 10.232 ( 3.988 0.000 -5.481) 6.778 10.244 ( 2.115 0.000 1.246) 2.455 10.334 ( 5.820 0.000 3.311) 6.696 10.616 ( -0.904 0.000 -0.975) 1.330 10.797 ( 11.991 0.000 -2.142) 12.181 10.878 ( 4.423 0.000 2.694) 5.178 10.931 ( 4.764 0.000 -2.465) 5.364 19.946 ( -1.119 0.000 3.235) 3.423 20.199 ( 3.229 0.000 -2.914) 4.350 20.200 ( 0.623 0.000 2.334) 2.416 20.405 ( 6.287 0.000 -0.480) 6.305 20.537 ( 2.028 0.000 1.515) 2.532 20.604 ( -2.803 0.000 -5.468) 6.144 21.110 ( 2.482 0.000 4.060) 4.758 21.146 ( 0.723 0.000 -1.444) 1.615 21.520 ( -5.066 0.000 6.152) 7.970 22.000 ( 0.757 0.000 -10.837) 10.863 22.327 ( -7.209 0.000 4.293) 8.391 22.500 ( -0.004 0.000 -0.635) 0.635 22.548 ( -0.900 0.000 0.080) 0.903 22.769 ( -2.474 0.000 1.154) 2.730 22.811 ( -1.136 0.000 2.084) 2.374 23.267 ( 16.536 0.000 -13.203) 21.160 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 13.617 0.000 4.413) 14.315 1.116 ( 7.038 0.000 11.161) 13.195 1.502 ( 10.370 0.000 -9.192) 13.857 1.563 ( 13.114 0.000 -10.621) 16.876 1.753 ( 4.521 0.000 7.256) 8.549 1.805 ( -14.910 0.000 3.377) 15.288 2.071 ( -3.876 0.000 5.680) 6.877 2.142 ( -8.135 0.000 -9.246) 12.316 2.149 ( 2.846 0.000 6.282) 6.897 2.280 ( -5.012 0.000 3.520) 6.124 2.345 ( -6.528 0.000 1.780) 6.766 2.427 ( -1.899 0.000 0.160) 1.906 2.559 ( -3.080 0.000 -2.341) 3.869 2.565 ( -5.115 0.000 3.395) 6.139 2.620 ( -0.883 0.000 1.789) 1.995 2.674 ( -0.429 0.000 5.657) 5.673 2.766 ( -0.909 0.000 6.600) 6.662 2.968 ( -1.284 0.000 -0.627) 1.429 2.994 ( 1.386 0.000 6.161) 6.315 3.046 ( 13.624 0.000 -15.515) 20.647 3.079 ( 0.614 0.000 -7.786) 7.811 3.115 ( -4.508 0.000 -1.374) 4.713 3.647 ( 2.818 0.000 9.125) 9.550 3.730 ( -6.619 0.000 0.003) 6.619 3.762 ( -2.624 0.000 -2.372) 3.537 4.055 ( -4.288 0.000 6.631) 7.897 4.086 ( 12.140 0.000 -5.068) 13.155 4.166 ( 0.068 0.000 4.529) 4.530 4.271 ( 7.910 0.000 -2.403) 8.267 4.333 ( -4.370 0.000 -5.461) 6.994 4.577 ( -1.139 0.000 3.123) 3.325 4.699 ( 4.965 0.000 -1.994) 5.351 4.942 ( 7.161 0.000 0.186) 7.163 4.986 ( 2.003 0.000 -3.300) 3.860 5.014 ( 6.268 0.000 -0.894) 6.332 5.019 ( 6.554 0.000 0.108) 6.555 5.106 ( 4.743 0.000 4.016) 6.215 5.162 ( -4.689 0.000 -2.128) 5.149 5.327 ( 3.066 0.000 6.747) 7.411 5.342 ( -3.866 0.000 -6.825) 7.844 5.374 ( -3.450 0.000 -0.563) 3.496 5.439 ( 3.443 0.000 4.625) 5.765 5.721 ( 4.334 0.000 0.394) 4.352 5.898 ( -2.205 0.000 -0.733) 2.324 5.979 ( 10.414 0.000 -4.886) 11.504 6.125 ( -5.698 0.000 -2.234) 6.121 6.325 ( -10.016 0.000 12.699) 16.174 6.541 ( -6.341 0.000 -12.944) 14.414 8.203 ( -4.908 0.000 -7.002) 8.551 8.206 ( -1.123 0.000 7.068) 7.157 8.553 ( 0.740 0.000 4.488) 4.549 8.605 ( -0.871 0.000 -2.333) 2.491 8.736 ( -7.738 0.000 -4.160) 8.785 8.911 ( -6.650 0.000 -1.722) 6.869 9.056 ( -3.916 0.000 -2.158) 4.471 9.166 ( -3.915 0.000 4.217) 5.754 9.192 ( -7.008 0.000 -2.396) 7.406 9.405 ( -0.520 0.000 2.513) 2.566 9.558 ( 1.015 0.000 8.246) 8.308 9.936 ( -5.623 0.000 -0.923) 5.699 10.044 ( -4.321 0.000 -6.237) 7.587 10.143 ( 1.914 0.000 2.467) 3.123 10.456 ( 1.702 0.000 0.154) 1.709 10.525 ( 13.714 0.000 1.507) 13.797 10.720 ( 13.120 0.000 4.467) 13.860 10.964 ( 10.565 0.000 -8.237) 13.396 11.012 ( 6.452 0.000 3.775) 7.475 11.030 ( 7.398 0.000 -0.592) 7.422 19.957 ( -1.285 0.000 3.915) 4.120 20.240 ( 4.091 0.000 -3.081) 5.122 20.242 ( 0.626 0.000 3.053) 3.116 20.445 ( -1.079 0.000 -5.169) 5.280 20.574 ( 4.286 0.000 -0.134) 4.288 20.600 ( 3.634 0.000 1.199) 3.826 21.156 ( 2.290 0.000 -2.485) 3.379 21.206 ( 3.672 0.000 3.931) 5.379 21.459 ( -7.784 0.000 6.108) 9.895 21.869 ( -4.800 0.000 -9.220) 10.394 22.286 ( -0.254 0.000 3.233) 3.243 22.496 ( 0.100 0.000 -0.410) 0.422 22.546 ( 0.727 0.000 0.121) 0.736 22.727 ( -2.950 0.000 0.479) 2.989 22.798 ( -2.704 0.000 2.614) 3.761 23.370 ( 8.354 0.000 -10.095) 13.103 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -10.139 0.000 -1.002) 10.189 1.241 ( 7.201 0.000 0.684) 7.233 1.525 ( -10.535 0.000 0.195) 10.536 1.635 ( 5.232 0.000 -5.268) 7.425 1.682 ( 9.199 0.000 -10.220) 13.750 1.830 ( 5.107 0.000 -1.293) 5.268 1.941 ( -0.515 0.000 -7.684) 7.701 2.068 ( -3.646 0.000 10.548) 11.160 2.137 ( -0.120 0.000 -10.623) 10.624 2.260 ( -4.672 0.000 7.159) 8.549 2.288 ( -3.645 0.000 1.946) 4.132 2.422 ( -1.219 0.000 -2.061) 2.395 2.467 ( -4.468 0.000 -1.666) 4.769 2.527 ( -3.263 0.000 10.909) 11.387 2.630 ( 0.125 0.000 1.664) 1.669 2.682 ( -4.091 0.000 3.661) 5.490 2.842 ( -2.008 0.000 9.036) 9.256 2.908 ( -1.729 0.000 -4.811) 5.112 3.002 ( -5.068 0.000 3.188) 5.987 3.050 ( 1.968 0.000 -2.790) 3.415 3.097 ( 0.232 0.000 5.322) 5.327 3.195 ( 15.996 0.000 -13.426) 20.884 3.641 ( -4.302 0.000 2.616) 5.035 3.694 ( -4.075 0.000 1.108) 4.223 3.786 ( 3.062 0.000 8.040) 8.603 4.038 ( -3.367 0.000 5.066) 6.083 4.092 ( -8.984 0.000 3.322) 9.579 4.204 ( 8.472 0.000 -8.598) 12.071 4.347 ( 7.348 0.000 -2.317) 7.704 4.419 ( 7.400 0.000 0.150) 7.401 4.552 ( -2.251 0.000 0.319) 2.274 4.727 ( 0.299 0.000 -1.690) 1.716 4.989 ( 2.218 0.000 -3.302) 3.978 5.006 ( 2.190 0.000 -1.663) 2.750 5.026 ( -5.334 0.000 -1.161) 5.459 5.137 ( 7.544 0.000 -0.537) 7.563 5.185 ( 1.650 0.000 1.861) 2.487 5.208 ( 2.970 0.000 -3.090) 4.285 5.297 ( 7.474 0.000 -0.334) 7.481 5.402 ( 6.342 0.000 1.191) 6.452 5.499 ( 5.640 0.000 7.580) 9.448 5.575 ( 9.339 0.000 -1.219) 9.418 5.758 ( -0.910 0.000 -0.217) 0.935 5.936 ( 3.854 0.000 6.939) 7.937 5.940 ( -10.016 0.000 -2.261) 10.268 6.013 ( -1.742 0.000 -1.154) 2.089 6.284 ( -5.114 0.000 2.130) 5.540 6.331 ( -4.863 0.000 -9.447) 10.625 8.086 ( -1.153 0.000 -4.675) 4.815 8.255 ( -2.154 0.000 7.206) 7.521 8.466 ( -7.544 0.000 -1.899) 7.780 8.496 ( -7.125 0.000 -1.057) 7.203 8.656 ( -1.240 0.000 -0.037) 1.240 8.846 ( -2.660 0.000 4.312) 5.067 8.912 ( -9.207 0.000 -0.215) 9.210 9.119 ( 1.116 0.000 -1.354) 1.754 9.163 ( 0.802 0.000 -1.234) 1.472 9.428 ( 0.566 0.000 1.813) 1.899 9.624 ( -2.023 0.000 8.405) 8.645 9.827 ( -2.542 0.000 -4.041) 4.774 9.973 ( -1.450 0.000 0.100) 1.454 10.078 ( -7.583 0.000 -1.055) 7.656 10.550 ( 7.340 0.000 0.175) 7.342 10.728 ( 8.574 0.000 -2.354) 8.891 10.987 ( 9.772 0.000 3.330) 10.323 11.059 ( 8.576 0.000 -6.460) 10.737 11.143 ( 6.123 0.000 -3.085) 6.856 11.152 ( 4.849 0.000 2.366) 5.395 19.972 ( -1.500 0.000 4.491) 4.735 20.267 ( -1.468 0.000 3.855) 4.125 20.274 ( 3.172 0.000 -4.239) 5.294 20.383 ( -1.157 0.000 -1.268) 1.716 20.659 ( 5.178 0.000 -1.121) 5.298 20.689 ( 4.821 0.000 0.987) 4.921 21.179 ( 2.828 0.000 -2.725) 3.928 21.298 ( 2.295 0.000 2.923) 3.716 21.360 ( -8.620 0.000 5.199) 10.066 21.684 ( -5.691 0.000 -7.765) 9.627 22.360 ( 3.142 0.000 4.369) 5.381 22.497 ( 0.407 0.000 -0.295) 0.503 22.575 ( 1.671 0.000 0.941) 1.918 22.677 ( -2.602 0.000 0.055) 2.602 22.764 ( -3.881 0.000 2.999) 4.905 23.407 ( 5.781 0.000 -8.751) 10.488 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -1.523 0.000 6.624) 6.796 1.333 ( 2.803 0.000 2.459) 3.728 1.355 ( -8.724 0.000 6.603) 10.941 1.660 ( 5.327 0.000 -11.956) 13.089 1.742 ( 6.915 0.000 -5.120) 8.604 1.942 ( 5.671 0.000 -5.623) 7.986 1.951 ( 2.895 0.000 -1.957) 3.494 1.987 ( -0.401 0.000 -14.856) 14.861 2.137 ( -1.375 0.000 8.897) 9.003 2.201 ( -4.215 0.000 -1.030) 4.339 2.206 ( -4.446 0.000 -2.903) 5.309 2.352 ( -2.718 0.000 -1.595) 3.151 2.396 ( -1.662 0.000 1.229) 2.067 2.571 ( -5.769 0.000 6.701) 8.842 2.609 ( -3.795 0.000 -0.582) 3.839 2.648 ( 0.446 0.000 0.066) 0.451 2.818 ( -1.998 0.000 2.328) 3.068 2.879 ( 2.255 0.000 -1.729) 2.841 3.018 ( -5.260 0.000 11.845) 12.960 3.084 ( 2.492 0.000 1.209) 2.770 3.100 ( -2.640 0.000 3.943) 4.745 3.353 ( 11.482 0.000 -6.359) 13.125 3.607 ( -1.758 0.000 0.777) 1.922 3.626 ( -3.970 0.000 0.185) 3.975 3.893 ( 1.459 0.000 6.371) 6.536 3.966 ( -7.331 0.000 1.996) 7.597 4.058 ( -1.257 0.000 7.770) 7.871 4.280 ( 8.315 0.000 -7.451) 11.165 4.470 ( 0.490 0.000 -2.579) 2.625 4.471 ( 5.440 0.000 1.492) 5.641 4.523 ( 0.823 0.000 -2.561) 2.689 4.712 ( -2.987 0.000 1.399) 3.298 4.958 ( -0.381 0.000 1.029) 1.097 5.009 ( 2.898 0.000 -2.516) 3.838 5.050 ( 1.166 0.000 1.404) 1.825 5.163 ( 0.458 0.000 -3.511) 3.541 5.170 ( -2.509 0.000 2.683) 3.673 5.335 ( 11.273 0.000 -1.419) 11.362 5.449 ( 8.000 0.000 -3.076) 8.571 5.509 ( 2.935 0.000 -2.676) 3.972 5.548 ( -5.852 0.000 -8.168) 10.048 5.595 ( 3.374 0.000 -7.360) 8.096 5.707 ( -5.976 0.000 2.064) 6.322 5.906 ( -13.147 0.000 5.543) 14.268 5.933 ( 4.696 0.000 11.022) 11.981 6.058 ( -1.534 0.000 -5.142) 5.366 6.200 ( -0.923 0.000 -5.196) 5.277 6.232 ( 5.534 0.000 4.304) 7.010 8.083 ( 2.868 0.000 -0.513) 2.914 8.221 ( -4.796 0.000 -0.175) 4.799 8.379 ( -1.729 0.000 2.697) 3.203 8.398 ( -2.945 0.000 1.626) 3.364 8.659 ( 0.806 0.000 1.056) 1.329 8.788 ( -3.514 0.000 0.104) 3.516 8.856 ( -2.862 0.000 8.649) 9.110 9.113 ( -2.056 0.000 3.571) 4.121 9.211 ( 5.740 0.000 -3.408) 6.675 9.437 ( -0.559 0.000 -0.622) 0.836 9.633 ( -5.513 0.000 6.422) 8.464 9.786 ( 1.577 0.000 -2.983) 3.375 9.963 ( -1.011 0.000 1.382) 1.712 9.964 ( -1.618 0.000 -0.990) 1.897 10.644 ( 2.221 0.000 -0.750) 2.345 10.798 ( 3.340 0.000 -4.894) 5.925 11.106 ( 1.487 0.000 -0.146) 1.494 11.150 ( 5.764 0.000 -3.509) 6.748 11.192 ( 3.511 0.000 -4.177) 5.456 11.205 ( 0.219 0.000 -1.349) 1.367 19.982 ( -2.177 0.000 4.669) 5.152 20.269 ( -2.015 0.000 3.947) 4.431 20.286 ( 2.721 0.000 -3.800) 4.674 20.376 ( 0.164 0.000 1.022) 1.035 20.740 ( 4.051 0.000 -0.277) 4.061 20.770 ( 2.285 0.000 0.853) 2.439 21.196 ( 0.934 0.000 -2.533) 2.699 21.273 ( -4.523 0.000 4.407) 6.315 21.314 ( -2.523 0.000 -0.006) 2.523 21.566 ( 0.996 0.000 -6.007) 6.089 22.442 ( 0.949 0.000 4.079) 4.187 22.504 ( 0.596 0.000 -0.150) 0.614 22.615 ( 1.363 0.000 1.415) 1.965 22.641 ( -1.223 0.000 0.056) 1.224 22.719 ( -4.558 0.000 4.009) 6.070 23.421 ( 4.634 0.000 -8.529) 9.707 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 6.181 0.000 13.210) 14.585 1.353 ( 2.306 0.000 5.135) 5.629 1.360 ( -4.293 0.000 -2.608) 5.023 1.639 ( 4.703 0.000 -9.507) 10.607 1.785 ( -0.764 0.000 -6.316) 6.362 1.839 ( 3.975 0.000 -4.614) 6.090 1.914 ( -5.829 0.000 0.304) 5.837 1.960 ( 2.379 0.000 -9.997) 10.276 2.091 ( -0.549 0.000 -3.945) 3.983 2.164 ( 1.681 0.000 -3.402) 3.795 2.186 ( 0.986 0.000 0.909) 1.342 2.312 ( -1.160 0.000 0.009) 1.160 2.435 ( -7.360 0.000 -0.267) 7.365 2.457 ( 3.946 0.000 4.545) 6.019 2.586 ( 0.847 0.000 2.032) 2.201 2.643 ( -0.769 0.000 -0.947) 1.219 2.842 ( -0.780 0.000 1.797) 1.959 2.924 ( 2.923 0.000 -0.546) 2.974 2.964 ( -6.572 0.000 5.117) 8.330 3.110 ( -2.592 0.000 4.147) 4.891 3.165 ( 3.139 0.000 4.408) 5.412 3.497 ( 8.112 0.000 0.540) 8.130 3.575 ( -0.461 0.000 -1.285) 1.365 3.584 ( -0.867 0.000 -1.031) 1.347 3.844 ( -7.673 0.000 3.169) 8.302 3.999 ( 2.854 0.000 6.427) 7.032 4.104 ( -2.644 0.000 8.426) 8.832 4.338 ( 4.937 0.000 -8.092) 9.479 4.450 ( -0.779 0.000 1.052) 1.309 4.548 ( -0.218 0.000 5.043) 5.047 4.555 ( 6.555 0.000 -6.299) 9.091 4.592 ( -9.214 0.000 -2.287) 9.494 4.992 ( -0.478 0.000 0.252) 0.540 5.042 ( 2.555 0.000 -1.480) 2.953 5.083 ( 3.692 0.000 3.419) 5.032 5.136 ( -3.389 0.000 1.648) 3.768 5.194 ( 2.605 0.000 0.308) 2.623 5.301 ( -7.750 0.000 -6.375) 10.035 5.408 ( -5.506 0.000 -3.120) 6.329 5.431 ( -7.513 0.000 -3.436) 8.262 5.456 ( -7.098 0.000 -4.263) 8.280 5.566 ( -0.764 0.000 -8.344) 8.379 5.727 ( 1.460 0.000 -2.024) 2.496 5.766 ( 12.015 0.000 1.966) 12.174 5.961 ( -7.664 0.000 6.154) 9.829 5.985 ( -2.330 0.000 -0.742) 2.445 6.316 ( 11.701 0.000 1.871) 11.850 6.351 ( -0.076 0.000 1.611) 1.613 8.135 ( -2.705 0.000 -2.609) 3.758 8.157 ( 4.194 0.000 1.920) 4.613 8.421 ( 2.989 0.000 2.566) 3.939 8.430 ( 4.207 0.000 2.327) 4.807 8.687 ( 0.830 0.000 1.871) 2.047 8.803 ( 4.315 0.000 0.778) 4.385 8.917 ( -0.510 0.000 10.707) 10.720 9.116 ( -1.029 0.000 2.438) 2.646 9.294 ( 5.015 0.000 0.383) 5.030 9.396 ( -2.019 0.000 -2.193) 2.980 9.537 ( -9.098 0.000 3.013) 9.584 9.818 ( 3.300 0.000 -0.517) 3.340 9.959 ( 0.543 0.000 -0.397) 0.673 10.019 ( 6.030 0.000 1.711) 6.268 10.605 ( -5.055 0.000 -2.002) 5.437 10.751 ( -3.053 0.000 -6.876) 7.523 11.045 ( -6.513 0.000 -2.257) 6.893 11.138 ( -4.391 0.000 -3.924) 5.889 11.183 ( 0.508 0.000 -2.751) 2.798 11.207 ( 1.662 0.000 -1.642) 2.336 19.978 ( -2.838 0.000 4.425) 5.257 20.274 ( -1.438 0.000 3.784) 4.048 20.296 ( 1.604 0.000 -3.448) 3.802 20.414 ( 2.749 0.000 2.316) 3.595 20.761 ( -3.755 0.000 -0.051) 3.755 20.776 ( -1.215 0.000 1.302) 1.781 21.194 ( 1.789 0.000 0.379) 1.829 21.231 ( -3.569 0.000 -3.904) 5.290 21.276 ( -0.241 0.000 2.488) 2.499 21.603 ( 7.611 0.000 -4.401) 8.792 22.465 ( -2.023 0.000 3.564) 4.098 22.512 ( 0.142 0.000 0.183) 0.231 22.637 ( 0.819 0.000 -0.159) 0.835 22.647 ( -0.244 0.000 2.724) 2.735 22.681 ( -3.409 0.000 4.112) 5.341 23.417 ( 3.953 0.000 -9.060) 9.885 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -13.590 0.000 -14.382) 19.787 1.199 ( -13.439 0.000 3.058) 13.783 1.451 ( 4.259 0.000 -1.865) 4.649 1.665 ( -11.300 0.000 -0.957) 11.341 1.691 ( 6.601 0.000 -4.932) 8.240 1.812 ( -0.553 0.000 -4.456) 4.491 1.851 ( -1.470 0.000 2.336) 2.760 1.971 ( 0.701 0.000 -2.664) 2.754 2.139 ( 7.089 0.000 0.698) 7.123 2.175 ( 3.570 0.000 -6.152) 7.113 2.234 ( 4.351 0.000 -0.440) 4.373 2.330 ( 5.411 0.000 4.915) 7.310 2.419 ( 3.519 0.000 -0.781) 3.605 2.567 ( 3.376 0.000 3.247) 4.684 2.606 ( -1.104 0.000 -2.639) 2.861 2.678 ( 4.053 0.000 7.417) 8.452 2.792 ( -4.320 0.000 1.777) 4.671 2.876 ( -5.062 0.000 -3.132) 5.953 2.960 ( 1.872 0.000 -1.201) 2.224 3.100 ( -0.018 0.000 1.896) 1.897 3.245 ( 0.891 0.000 3.810) 3.913 3.517 ( -6.690 0.000 0.308) 6.697 3.575 ( -1.348 0.000 0.703) 1.521 3.685 ( 8.694 0.000 4.497) 9.788 3.770 ( -2.511 0.000 3.861) 4.606 4.063 ( -4.415 0.000 6.077) 7.512 4.157 ( 1.486 0.000 8.444) 8.574 4.317 ( 0.584 0.000 -6.708) 6.733 4.351 ( -8.165 0.000 -5.318) 9.745 4.453 ( -1.824 0.000 1.535) 2.384 4.576 ( -2.483 0.000 7.338) 7.746 4.626 ( 6.551 0.000 -9.629) 11.647 4.946 ( -0.799 0.000 -3.904) 3.985 5.033 ( -3.759 0.000 -2.940) 4.772 5.091 ( -0.456 0.000 0.621) 0.771 5.124 ( -7.279 0.000 0.710) 7.313 5.155 ( -3.782 0.000 -2.138) 4.344 5.187 ( -7.068 0.000 -4.510) 8.384 5.277 ( -5.188 0.000 -1.928) 5.535 5.278 ( 3.755 0.000 6.846) 7.808 5.395 ( -8.347 0.000 -6.392) 10.513 5.423 ( 5.456 0.000 2.914) 6.185 5.834 ( -5.777 0.000 3.026) 6.522 5.841 ( 8.642 0.000 -0.967) 8.696 5.951 ( -0.658 0.000 -0.461) 0.803 6.081 ( 10.888 0.000 4.609) 11.823 6.249 ( -8.912 0.000 -2.899) 9.371 6.524 ( 10.953 0.000 -1.694) 11.083 8.077 ( -0.785 0.000 -2.827) 2.934 8.260 ( 4.756 0.000 2.437) 5.344 8.498 ( 2.268 0.000 1.039) 2.494 8.573 ( 8.554 0.000 1.630) 8.708 8.757 ( 5.183 0.000 3.637) 6.332 8.893 ( 4.435 0.000 -4.650) 6.426 9.006 ( 0.110 0.000 7.042) 7.043 9.129 ( 0.717 0.000 2.745) 2.837 9.363 ( -0.040 0.000 1.431) 1.432 9.386 ( -9.827 0.000 3.616) 10.471 9.397 ( 4.569 0.000 1.837) 4.925 9.882 ( 3.734 0.000 0.301) 3.747 10.001 ( 5.745 0.000 -1.981) 6.077 10.164 ( 6.656 0.000 2.496) 7.109 10.437 ( -9.898 0.000 -3.517) 10.504 10.560 ( -9.792 0.000 -7.975) 12.629 10.847 ( -12.189 0.000 -1.770) 12.317 11.010 ( -5.292 0.000 -2.918) 6.043 11.103 ( -6.031 0.000 -3.102) 6.782 11.217 ( -1.108 0.000 0.777) 1.353 19.967 ( -2.762 0.000 4.154) 4.989 20.275 ( -0.352 0.000 -3.141) 3.160 20.285 ( -1.231 0.000 3.650) 3.852 20.513 ( 5.457 0.000 1.459) 5.648 20.661 ( -5.783 0.000 -0.863) 5.847 20.714 ( -6.880 0.000 1.841) 7.122 21.129 ( -3.006 0.000 -4.631) 5.521 21.266 ( 2.317 0.000 3.466) 4.169 21.291 ( 0.978 0.000 1.438) 1.739 21.738 ( 11.491 0.000 -5.139) 12.588 22.454 ( -2.813 0.000 4.459) 5.272 22.513 ( -0.158 0.000 0.276) 0.318 22.637 ( -5.770 0.000 8.729) 10.464 22.659 ( 1.682 0.000 -0.900) 1.908 22.694 ( 2.349 0.000 -0.893) 2.513 23.392 ( 3.506 0.000 -10.985) 11.531 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -17.953 0.000 -8.942) 20.057 0.878 ( -22.317 0.000 2.451) 22.451 1.386 ( -23.310 0.000 4.284) 23.700 1.471 ( 1.123 0.000 -2.791) 3.009 1.719 ( -5.170 0.000 -1.037) 5.273 1.766 ( 3.053 0.000 -4.239) 5.224 1.847 ( 3.162 0.000 -2.420) 3.982 1.933 ( -2.217 0.000 -0.961) 2.416 2.136 ( 3.021 0.000 -8.201) 8.739 2.288 ( 6.321 0.000 4.304) 7.647 2.346 ( 7.174 0.000 0.813) 7.220 2.492 ( 2.952 0.000 2.985) 4.198 2.504 ( 3.233 0.000 -1.339) 3.499 2.609 ( 6.371 0.000 -0.256) 6.376 2.631 ( 1.301 0.000 1.203) 1.773 2.771 ( -1.139 0.000 5.138) 5.263 2.814 ( 0.606 0.000 7.982) 8.005 2.828 ( 5.321 0.000 -2.479) 5.870 2.962 ( -0.000 0.000 -2.418) 2.418 3.129 ( 2.297 0.000 -2.066) 3.090 3.263 ( -1.305 0.000 1.242) 1.801 3.367 ( -7.724 0.000 0.088) 7.725 3.515 ( -6.517 0.000 4.662) 8.012 3.818 ( 1.905 0.000 3.365) 3.867 3.832 ( 3.598 0.000 2.075) 4.154 4.015 ( -5.417 0.000 6.068) 8.135 4.161 ( -7.066 0.000 -3.068) 7.703 4.262 ( 0.078 0.000 9.848) 9.848 4.341 ( 3.963 0.000 -6.299) 7.442 4.401 ( -5.197 0.000 0.980) 5.288 4.598 ( 3.207 0.000 -8.295) 8.893 4.601 ( -1.370 0.000 4.977) 5.162 4.912 ( -6.252 0.000 -3.557) 7.193 4.921 ( 0.301 0.000 -2.313) 2.333 5.032 ( -7.970 0.000 -1.504) 8.111 5.034 ( -3.565 0.000 0.985) 3.699 5.069 ( 0.643 0.000 -0.563) 0.855 5.105 ( 0.448 0.000 0.582) 0.735 5.203 ( -1.536 0.000 -1.116) 1.899 5.248 ( -1.558 0.000 -2.430) 2.887 5.397 ( 1.707 0.000 2.265) 2.836 5.604 ( 8.037 0.000 3.183) 8.645 5.767 ( -4.360 0.000 2.587) 5.070 5.913 ( -5.696 0.000 -3.667) 6.774 5.989 ( 9.152 0.000 -1.375) 9.254 6.102 ( 0.375 0.000 0.922) 0.996 6.190 ( -2.103 0.000 0.158) 2.109 6.723 ( 14.042 0.000 -3.308) 14.426 8.066 ( 2.425 0.000 -2.189) 3.267 8.375 ( 5.167 0.000 3.210) 6.083 8.499 ( -3.356 0.000 1.616) 3.725 8.706 ( 0.045 0.000 2.187) 2.187 8.838 ( 1.245 0.000 -11.307) 11.376 8.932 ( 8.778 0.000 3.519) 9.457 9.053 ( 1.813 0.000 2.296) 2.925 9.149 ( -0.701 0.000 -3.016) 3.097 9.296 ( -3.093 0.000 6.479) 7.180 9.424 ( 2.723 0.000 4.162) 4.973 9.505 ( 3.203 0.000 4.969) 5.911 9.952 ( 4.828 0.000 -3.499) 5.962 10.130 ( 8.610 0.000 -0.561) 8.628 10.197 ( -13.048 0.000 0.387) 13.053 10.282 ( 4.021 0.000 -1.522) 4.299 10.290 ( -11.203 0.000 -3.238) 11.662 10.641 ( -7.786 0.000 0.229) 7.789 10.907 ( -4.376 0.000 -0.290) 4.385 10.921 ( -10.320 0.000 -2.977) 10.741 11.161 ( -5.858 0.000 0.254) 5.864 19.957 ( -2.451 0.000 3.869) 4.580 20.235 ( -0.773 0.000 -2.830) 2.933 20.301 ( -0.803 0.000 4.146) 4.223 20.530 ( -6.270 0.000 -2.908) 6.911 20.561 ( -4.116 0.000 -0.527) 4.150 20.662 ( 2.415 0.000 2.599) 3.547 21.048 ( -2.165 0.000 -2.231) 3.109 21.275 ( -1.589 0.000 2.469) 2.936 21.391 ( 4.037 0.000 4.796) 6.270 21.898 ( 11.629 0.000 -6.676) 13.409 22.454 ( -2.450 0.000 5.495) 6.017 22.512 ( -0.014 0.000 -0.193) 0.194 22.617 ( -5.417 0.000 8.697) 10.246 22.666 ( 0.569 0.000 -3.114) 3.166 22.731 ( 2.549 0.000 -0.779) 2.666 23.323 ( 2.200 0.000 -16.845) 16.988 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -12.280 0.000 19.936) 23.415 0.520 ( -21.614 0.000 12.345) 24.891 0.904 ( -36.431 0.000 18.582) 40.897 1.437 ( -3.600 0.000 -2.876) 4.608 1.645 ( -1.754 0.000 -2.766) 3.275 1.719 ( -0.200 0.000 1.177) 1.194 1.911 ( -1.127 0.000 3.826) 3.988 1.955 ( 10.422 0.000 -6.856) 12.475 2.181 ( 6.281 0.000 -3.186) 7.043 2.429 ( 2.194 0.000 3.724) 4.322 2.469 ( 5.870 0.000 0.918) 5.941 2.485 ( 0.224 0.000 -0.745) 0.778 2.571 ( 2.914 0.000 -0.388) 2.940 2.640 ( -1.375 0.000 1.383) 1.950 2.713 ( 3.387 0.000 1.423) 3.674 2.812 ( -6.871 0.000 6.351) 9.357 2.867 ( 6.360 0.000 7.672) 9.965 2.926 ( -0.127 0.000 -3.426) 3.428 2.992 ( 10.162 0.000 0.914) 10.203 3.123 ( 0.575 0.000 -4.396) 4.434 3.230 ( -1.909 0.000 -2.667) 3.280 3.310 ( 1.634 0.000 -0.675) 1.768 3.459 ( -5.406 0.000 7.223) 9.022 3.861 ( -0.927 0.000 3.625) 3.742 3.875 ( 0.791 0.000 -3.473) 3.562 3.989 ( -7.628 0.000 -0.997) 7.693 4.036 ( 1.435 0.000 8.013) 8.141 4.244 ( -3.810 0.000 -10.112) 10.806 4.341 ( -2.473 0.000 7.178) 7.592 4.352 ( -0.795 0.000 2.428) 2.555 4.603 ( 0.023 0.000 0.248) 0.249 4.660 ( 6.883 0.000 -5.158) 8.601 4.715 ( -9.581 0.000 -2.389) 9.874 4.903 ( -0.837 0.000 0.350) 0.907 4.924 ( -3.061 0.000 -0.693) 3.138 5.007 ( -1.124 0.000 0.426) 1.202 5.101 ( -0.801 0.000 -2.581) 2.702 5.159 ( 8.277 0.000 -1.881) 8.488 5.193 ( -0.515 0.000 1.973) 2.040 5.252 ( 2.021 0.000 -0.240) 2.035 5.394 ( -3.434 0.000 3.000) 4.560 5.653 ( -5.431 0.000 -1.376) 5.603 5.696 ( -5.961 0.000 -1.742) 6.210 5.772 ( 0.519 0.000 -4.987) 5.013 6.087 ( -4.069 0.000 -3.961) 5.678 6.162 ( 10.206 0.000 0.364) 10.213 6.233 ( 6.719 0.000 1.719) 6.935 6.933 ( 10.834 0.000 -1.627) 10.956 8.116 ( 4.811 0.000 -1.803) 5.137 8.419 ( -7.110 0.000 2.333) 7.483 8.510 ( 4.937 0.000 5.133) 7.122 8.563 ( -8.013 0.000 -3.891) 8.908 8.795 ( -1.700 0.000 -3.847) 4.206 9.071 ( 6.871 0.000 -0.188) 6.873 9.142 ( 4.752 0.000 -3.559) 5.937 9.218 ( 10.500 0.000 11.491) 15.566 9.312 ( -2.586 0.000 4.740) 5.400 9.483 ( 1.744 0.000 -4.215) 4.562 9.609 ( 3.454 0.000 5.955) 6.884 9.908 ( -5.197 0.000 -5.857) 7.830 9.958 ( -12.737 0.000 0.210) 12.739 10.078 ( -3.594 0.000 -2.097) 4.161 10.322 ( 0.302 0.000 1.064) 1.106 10.400 ( 9.577 0.000 5.966) 11.283 10.586 ( 0.907 0.000 -0.438) 1.007 10.705 ( -8.768 0.000 -2.900) 9.235 10.842 ( -3.275 0.000 1.057) 3.441 11.026 ( -7.241 0.000 -0.793) 7.284 19.948 ( -2.264 0.000 3.221) 3.937 20.200 ( -0.087 0.000 -2.806) 2.808 20.340 ( 0.847 0.000 2.308) 2.458 20.383 ( -5.643 0.000 -1.537) 5.849 20.510 ( -1.799 0.000 0.522) 1.874 20.716 ( 2.433 0.000 -2.856) 3.752 21.018 ( -0.730 0.000 1.650) 1.805 21.288 ( 1.272 0.000 0.942) 1.583 21.499 ( 1.269 0.000 6.436) 6.560 22.014 ( 8.677 0.000 -8.526) 12.165 22.455 ( -3.669 0.000 5.759) 6.828 22.504 ( -0.407 0.000 -2.745) 2.775 22.573 ( -5.786 0.000 -9.156) 10.831 22.599 ( -4.512 0.000 6.414) 7.842 22.770 ( 2.024 0.000 0.046) 2.024 23.095 ( -7.868 0.000 -21.175) 22.590 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -3.508 19.310 12.777) 23.419 0.728 ( 1.005 16.360 19.989) 25.850 1.224 ( -0.111 32.571 23.633) 40.242 1.368 ( 0.934 4.608 -3.871) 6.091 1.601 ( 1.339 2.070 1.699) 2.994 1.901 ( 0.902 6.967 6.032) 9.260 2.029 ( -0.081 6.860 -1.744) 7.079 2.085 ( 7.219 4.768 -7.642) 11.543 2.220 ( 2.912 -4.299 0.509) 5.218 2.330 ( -2.732 -4.619 -2.137) 5.777 2.498 ( 2.215 -0.599 1.660) 2.832 2.577 ( -3.737 0.486 6.472) 7.489 2.645 ( -3.624 -2.418 1.767) 4.701 2.690 ( -0.402 6.005 -0.890) 6.084 2.774 ( 1.039 12.496 1.184) 12.595 2.826 ( -3.617 -4.307 -1.938) 5.949 2.866 ( -3.849 6.586 2.757) 8.111 2.980 ( -1.205 3.288 -1.396) 3.770 3.093 ( 0.160 0.609 -2.022) 2.118 3.109 ( -0.008 0.601 -0.691) 0.916 3.177 ( 0.623 0.828 -4.015) 4.146 3.255 ( -1.287 -0.259 -2.446) 2.776 3.554 ( -0.811 7.978 2.740) 8.474 3.743 ( -2.775 -3.922 -2.356) 5.351 3.816 ( -2.039 -1.713 -2.880) 3.923 3.960 ( 4.343 1.964 4.086) 6.278 4.034 ( -3.230 4.515 4.230) 6.980 4.081 ( 0.016 0.247 -2.375) 2.387 4.188 ( -0.041 2.964 -2.941) 4.175 4.445 ( 2.394 2.248 1.624) 3.663 4.628 ( -3.120 3.436 0.210) 4.646 4.640 ( -0.439 -6.965 -1.708) 7.185 4.719 ( 0.990 -0.906 3.249) 3.515 4.894 ( 2.204 -2.577 0.523) 3.431 4.932 ( 0.138 -2.851 0.525) 2.902 4.952 ( -1.210 -1.826 -2.601) 3.400 5.010 ( -2.305 -1.544 -2.341) 3.630 5.210 ( 0.849 -2.644 -0.273) 2.790 5.247 ( 0.960 -0.002 2.661) 2.829 5.314 ( 8.928 3.121 -0.089) 9.458 5.382 ( -5.406 0.944 3.663) 6.598 5.515 ( 1.276 0.056 -2.613) 2.908 5.715 ( -1.542 6.339 -1.944) 6.807 5.754 ( 1.120 1.751 -7.200) 7.494 6.122 ( 2.546 5.324 -1.535) 6.098 6.234 ( -2.747 1.038 -4.102) 5.045 6.308 ( 2.304 -4.271 7.542) 8.968 6.988 ( 0.160 -4.902 -10.674) 11.747 8.199 ( 0.218 -0.631 1.854) 1.971 8.322 ( -0.954 1.129 0.862) 1.711 8.565 ( 1.196 6.027 -1.707) 6.377 8.641 ( -7.094 6.522 -1.792) 9.802 8.803 ( 5.880 -3.300 7.055) 9.759 9.092 ( -1.510 -4.336 0.502) 4.619 9.205 ( 0.199 0.454 1.594) 1.669 9.267 ( -8.667 -7.588 9.025) 14.634 9.313 ( 1.679 2.775 2.126) 3.879 9.447 ( -1.709 1.094 -4.592) 5.020 9.740 ( -5.250 -1.678 1.416) 5.691 9.749 ( 3.773 -1.083 1.421) 4.175 9.840 ( 6.859 -0.911 3.073) 7.571 9.989 ( 3.109 -1.527 3.886) 5.205 10.326 ( -3.191 -4.507 -1.477) 5.716 10.335 ( -1.083 -4.962 -2.250) 5.555 10.545 ( -0.685 -8.563 -3.405) 9.241 10.636 ( 5.770 -8.260 -1.685) 10.215 10.699 ( 0.416 -7.086 -4.622) 8.471 10.822 ( -4.097 -9.572 -4.145) 11.207 19.944 ( -1.779 0.688 2.877) 3.452 20.145 ( -4.209 -3.157 0.067) 5.262 20.258 ( -2.678 1.916 -0.168) 3.298 20.327 ( 0.708 -0.346 -0.513) 0.940 20.475 ( 2.796 -2.097 1.696) 3.885 20.620 ( 5.211 -7.106 4.805) 10.037 20.733 ( -2.423 -6.220 10.021) 12.041 21.295 ( 0.167 1.613 -6.902) 7.089 21.574 ( -2.380 4.252 7.673) 9.089 22.022 ( 5.112 -0.342 -4.057) 6.536 22.230 ( 1.602 -4.567 5.252) 7.142 22.435 ( -1.990 -5.663 0.627) 6.035 22.577 ( 1.423 4.187 1.150) 4.569 22.609 ( -2.096 3.740 1.533) 4.553 23.068 ( -1.020 14.485 0.807) 14.543 23.800 ( 8.367 31.965 -36.152) 48.977 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 11.339 13.487 10.846) 20.691 0.996 ( 8.541 14.023 16.423) 23.223 1.425 ( 9.373 4.751 -4.799) 11.552 1.550 ( 10.495 16.468 4.473) 20.033 1.674 ( 4.767 14.032 10.731) 18.297 1.949 ( -1.887 2.231 2.513) 3.854 2.034 ( 2.146 1.738 0.514) 2.809 2.113 ( -2.573 2.465 2.502) 4.354 2.242 ( -1.279 -4.610 -1.609) 5.048 2.269 ( -1.888 -3.200 -0.372) 3.734 2.507 ( -6.789 1.807 1.829) 7.260 2.551 ( 0.005 2.556 3.771) 4.555 2.577 ( -4.934 -0.792 2.628) 5.646 2.628 ( -3.138 2.012 -4.283) 5.678 2.750 ( -1.452 5.554 -0.706) 5.784 2.769 ( -2.565 8.887 -0.340) 9.256 2.825 ( -3.704 7.111 5.572) 9.764 2.939 ( -0.591 1.458 -1.597) 2.242 3.037 ( -3.827 -0.356 -1.808) 4.248 3.070 ( 1.537 2.247 -4.474) 5.237 3.162 ( 1.621 3.433 -4.696) 6.039 3.217 ( 0.458 5.734 -5.294) 7.817 3.571 ( 0.661 3.658 2.355) 4.400 3.773 ( 1.577 -6.756 4.321) 8.173 3.786 ( 0.676 -0.596 -1.504) 1.753 3.962 ( -1.312 4.512 -3.330) 5.759 4.060 ( 4.551 -0.442 -4.686) 6.548 4.114 ( -1.969 3.155 7.909) 8.740 4.224 ( 6.532 4.365 -1.867) 8.075 4.480 ( -3.863 1.281 0.044) 4.070 4.547 ( 2.126 0.960 -3.071) 3.856 4.631 ( -0.565 -2.912 1.685) 3.411 4.785 ( 2.672 -3.523 3.064) 5.380 4.906 ( -1.104 -3.720 -0.564) 3.921 4.932 ( 2.304 -2.657 -1.982) 4.037 4.954 ( 2.945 -1.908 0.340) 3.525 5.009 ( 3.434 1.337 -0.302) 3.697 5.216 ( 1.164 -3.216 -1.750) 3.842 5.291 ( 0.735 2.944 3.431) 4.580 5.347 ( -2.550 1.412 4.711) 5.540 5.473 ( 0.687 -0.422 -5.153) 5.215 5.519 ( 3.051 4.453 -0.522) 5.423 5.676 ( -0.209 1.863 -3.233) 3.737 5.745 ( 9.102 -0.655 -3.424) 9.747 6.075 ( -6.600 4.403 -4.153) 8.954 6.186 ( 2.706 3.613 -0.486) 4.540 6.345 ( -8.318 -5.418 11.300) 15.041 6.793 ( -7.838 -2.091 -12.690) 15.062 8.175 ( -2.859 -0.597 2.699) 3.977 8.405 ( 6.221 -1.140 0.974) 6.399 8.475 ( -7.360 7.379 -2.030) 10.618 8.611 ( 3.152 4.374 0.089) 5.392 8.901 ( -5.567 -4.521 2.758) 7.683 9.003 ( -6.276 -4.528 -2.127) 8.026 9.146 ( -2.865 1.937 2.544) 4.293 9.208 ( -2.693 2.940 3.555) 5.342 9.361 ( -0.496 4.711 3.468) 5.871 9.426 ( -0.788 2.659 1.139) 2.998 9.546 ( -7.811 1.912 -2.858) 8.534 9.927 ( 0.086 -6.328 2.461) 6.790 10.022 ( 11.654 -3.638 2.493) 12.461 10.145 ( -1.444 -7.619 -4.651) 9.042 10.191 ( 4.735 -4.016 2.044) 6.536 10.356 ( 5.445 -0.158 0.142) 5.449 10.476 ( -2.842 -11.797 -2.229) 12.338 10.731 ( 5.036 -9.134 1.272) 10.507 10.733 ( 5.659 -13.236 2.734) 14.652 10.824 ( 8.703 -7.866 -6.205) 13.271 19.949 ( -1.018 0.441 3.187) 3.374 20.133 ( 1.188 -3.521 1.118) 3.881 20.257 ( 1.736 2.528 -1.223) 3.302 20.395 ( 6.405 -1.015 0.090) 6.485 20.533 ( 1.361 -0.878 0.860) 1.834 20.575 ( -2.055 -0.937 -5.120) 5.596 20.937 ( 6.416 -7.983 9.766) 14.151 21.250 ( 1.810 1.617 -6.219) 6.676 21.584 ( -4.149 6.136 7.039) 10.218 22.021 ( 0.944 2.061 -8.720) 9.009 22.247 ( -5.419 -6.425 4.179) 9.386 22.445 ( 2.187 -6.375 0.513) 6.759 22.591 ( -0.284 4.461 -0.119) 4.472 22.662 ( 4.509 -0.191 3.934) 5.987 23.020 ( -4.731 16.643 0.690) 17.316 23.581 ( -0.367 20.707 -18.997) 28.103 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 10.471 8.657 6.607) 15.108 1.294 ( 8.485 12.680 10.496) 18.519 1.514 ( 7.790 4.098 -9.061) 12.633 1.679 ( 9.135 7.696 -9.198) 15.075 1.825 ( -12.603 2.421 2.120) 13.008 1.854 ( 3.151 9.135 1.317) 9.752 2.077 ( -3.818 0.368 5.440) 6.656 2.127 ( -5.171 1.228 -5.958) 7.984 2.143 ( 1.583 0.100 4.818) 5.072 2.217 ( -2.479 -4.253 2.539) 5.539 2.388 ( -8.040 4.274 -0.285) 9.110 2.485 ( -2.173 3.057 2.067) 4.282 2.588 ( -2.593 0.905 0.047) 2.746 2.601 ( -0.673 2.709 3.903) 4.798 2.710 ( -4.191 5.539 2.961) 7.551 2.739 ( -0.986 9.641 0.433) 9.701 2.825 ( -2.310 5.472 8.280) 10.190 2.957 ( 1.083 1.612 1.195) 2.280 3.009 ( 3.128 1.170 -0.883) 3.454 3.084 ( 2.197 2.010 -6.388) 7.048 3.148 ( 4.259 7.655 -2.753) 9.183 3.164 ( 0.934 6.828 -6.894) 9.748 3.611 ( -0.307 -1.084 2.629) 2.860 3.737 ( -3.382 -2.585 -1.678) 4.575 3.802 ( -3.110 4.504 4.628) 7.168 3.982 ( 2.429 -4.425 3.938) 6.402 4.125 ( 2.056 1.768 0.447) 2.748 4.154 ( 7.409 0.017 -2.988) 7.989 4.298 ( 2.691 1.796 -3.335) 4.646 4.356 ( -4.692 3.172 -0.521) 5.688 4.604 ( 0.841 1.355 -0.596) 1.703 4.650 ( 2.224 -4.071 -0.131) 4.641 4.877 ( 4.573 -4.943 1.584) 6.917 4.912 ( 2.380 -4.594 -1.629) 5.424 5.004 ( 7.156 -0.580 -1.101) 7.264 5.038 ( 4.792 -1.635 0.894) 5.142 5.092 ( 5.480 0.662 1.859) 5.824 5.217 ( 0.821 2.866 -2.936) 4.185 5.306 ( -3.466 0.462 -1.076) 3.658 5.353 ( -0.398 1.558 1.453) 2.167 5.409 ( 3.933 3.715 3.515) 6.452 5.527 ( -0.084 5.733 -0.540) 5.759 5.707 ( 4.155 -1.341 0.013) 4.366 5.944 ( 6.070 -0.284 0.823) 6.132 5.969 ( 1.072 3.861 -3.875) 5.575 6.161 ( -3.517 3.989 -3.868) 6.576 6.272 ( -9.319 -5.213 12.933) 16.771 6.519 ( -8.071 -3.253 -13.214) 15.822 8.161 ( -1.984 -0.073 1.444) 2.455 8.331 ( -4.714 6.975 -1.094) 8.489 8.529 ( 1.699 -0.537 3.650) 4.062 8.626 ( -1.819 1.315 -0.362) 2.273 8.757 ( -6.688 2.334 -4.617) 8.455 8.868 ( -7.131 -3.128 0.528) 7.805 9.107 ( -3.242 2.911 -0.486) 4.384 9.165 ( -7.986 -0.134 2.215) 8.289 9.237 ( -3.616 4.623 -4.175) 7.203 9.416 ( -0.701 1.371 2.542) 2.972 9.565 ( 0.251 0.912 6.935) 6.999 9.861 ( -5.826 -7.430 -0.404) 9.450 9.993 ( -4.260 -5.062 -5.725) 8.749 10.165 ( 0.761 0.171 2.443) 2.564 10.344 ( 4.809 -8.594 -1.770) 10.006 10.482 ( 6.530 -10.762 3.269) 13.006 10.582 ( 15.038 -10.225 2.105) 18.307 10.877 ( 6.981 -8.739 -0.841) 11.217 10.906 ( 10.763 -11.047 1.086) 15.461 10.939 ( 9.819 -6.057 -2.765) 11.864 19.963 ( -1.128 0.610 3.838) 4.046 20.175 ( 1.575 -4.082 1.573) 4.650 20.285 ( 2.276 1.944 -1.109) 3.192 20.441 ( -2.342 -0.461 -5.453) 5.953 20.542 ( 6.893 -2.192 0.946) 7.295 20.602 ( 3.146 0.289 0.205) 3.166 21.100 ( 4.714 -2.739 3.645) 6.559 21.249 ( 2.947 2.069 -3.271) 4.865 21.548 ( -6.404 6.999 5.469) 10.950 21.906 ( -4.805 3.673 -7.129) 9.349 22.210 ( -0.141 -6.867 1.927) 7.134 22.481 ( 1.467 -2.262 0.086) 2.697 22.596 ( 1.159 5.183 -0.310) 5.320 22.763 ( 1.496 1.207 4.143) 4.567 22.928 ( -5.503 15.318 0.527) 16.285 23.456 ( 1.020 8.064 -10.220) 13.059 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.010 9.899 3.564) 10.570 1.313 ( -3.165 9.511 -5.597) 11.481 1.554 ( -11.318 2.973 2.144) 11.897 1.632 ( 4.002 0.291 -4.401) 5.956 1.772 ( 9.077 6.766 -6.045) 12.834 1.842 ( 1.135 1.346 -6.360) 6.599 2.048 ( 2.806 7.716 -2.191) 8.498 2.071 ( 1.038 1.553 -1.710) 2.532 2.141 ( -1.567 1.366 0.610) 2.167 2.254 ( -0.077 0.395 3.109) 3.135 2.279 ( -5.691 1.380 2.867) 6.520 2.466 ( -2.775 -0.443 0.119) 2.813 2.513 ( -3.659 5.432 -0.617) 6.578 2.604 ( -3.350 6.759 4.815) 8.950 2.672 ( -4.815 -1.161 5.003) 7.041 2.715 ( -1.643 9.532 1.897) 9.856 2.890 ( -2.127 2.546 8.211) 8.856 2.933 ( -0.894 4.346 -1.401) 4.652 3.037 ( -1.066 3.361 -1.977) 4.042 3.079 ( 1.560 2.874 1.175) 3.475 3.164 ( 0.877 8.151 2.187) 8.485 3.257 ( 12.088 6.687 -10.092) 17.108 3.579 ( -4.533 -3.818 3.321) 6.793 3.659 ( -4.111 -3.341 0.229) 5.302 3.852 ( 2.232 4.855 6.205) 8.189 4.019 ( -2.444 -2.103 5.764) 6.604 4.116 ( -5.209 3.031 0.488) 6.047 4.271 ( 8.526 2.250 -5.628) 10.461 4.283 ( 3.377 -0.757 -2.532) 4.288 4.398 ( 5.603 -3.063 0.325) 6.394 4.586 ( 0.101 1.809 -2.252) 2.890 4.662 ( -0.266 -3.962 -1.627) 4.291 4.922 ( 1.780 -2.344 -1.295) 3.216 4.946 ( 1.887 -4.605 -0.122) 4.978 5.080 ( -0.968 1.989 -0.051) 2.213 5.136 ( 2.014 -2.386 -0.335) 3.141 5.202 ( 7.152 4.537 -1.004) 8.529 5.248 ( 1.527 -1.008 -3.176) 3.665 5.266 ( 7.335 0.274 1.508) 7.494 5.445 ( 4.960 2.678 3.476) 6.622 5.557 ( 6.060 3.406 1.850) 7.194 5.591 ( 8.301 4.389 0.600) 9.409 5.759 ( 1.353 -0.258 0.378) 1.429 5.927 ( -7.859 -1.346 0.684) 8.003 6.001 ( 4.845 3.789 0.196) 6.154 6.019 ( -7.429 2.307 0.234) 7.782 6.270 ( -4.194 -1.713 -4.102) 6.111 6.300 ( -2.915 -2.414 -1.771) 4.179 8.107 ( -1.767 2.004 -2.501) 3.660 8.294 ( -3.142 3.238 5.079) 6.793 8.484 ( -8.886 1.976 -2.223) 9.371 8.509 ( -4.944 1.725 -0.924) 5.318 8.674 ( -1.914 2.078 1.453) 3.177 8.767 ( -5.681 -4.799 3.129) 8.068 8.980 ( -5.856 3.738 0.033) 6.947 9.121 ( -0.473 -0.091 1.172) 1.267 9.206 ( 2.083 4.411 -3.597) 6.060 9.426 ( -0.516 -0.018 1.466) 1.554 9.610 ( -2.558 -1.425 7.921) 8.445 9.770 ( -1.939 -5.993 -2.345) 6.721 9.878 ( -4.839 -7.731 -1.577) 9.256 10.120 ( -3.705 1.389 -0.235) 3.964 10.445 ( 6.408 -9.757 -1.032) 11.718 10.633 ( 5.831 -12.738 0.490) 14.018 10.841 ( 11.361 -12.108 0.078) 16.604 10.954 ( 5.701 -8.494 -4.971) 11.373 11.084 ( 8.458 -7.399 -1.158) 11.297 11.111 ( 7.646 -3.452 0.702) 8.419 19.977 ( -1.574 0.555 4.312) 4.624 20.208 ( 0.043 -4.257 2.178) 4.782 20.300 ( 1.212 1.226 -3.148) 3.590 20.377 ( -0.984 -0.530 -0.796) 1.372 20.646 ( 5.292 -0.892 -1.606) 5.602 20.702 ( 6.218 1.319 2.067) 6.684 21.173 ( 1.990 -1.876 -0.881) 2.873 21.273 ( 0.711 2.484 -0.222) 2.594 21.467 ( -6.884 6.107 3.914) 10.000 21.757 ( -3.940 7.078 -5.434) 9.755 22.270 ( 3.016 -8.196 3.196) 9.300 22.503 ( 1.228 -0.442 -0.391) 1.363 22.628 ( 2.380 6.004 0.071) 6.459 22.783 ( -2.995 7.386 3.384) 8.658 22.846 ( -3.991 10.324 0.957) 11.110 23.409 ( 2.611 0.747 -7.842) 8.299 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.380 14.811 2.779) 15.074 1.366 ( -3.186 3.456 6.417) 7.955 1.399 ( -3.050 4.481 4.151) 6.828 1.619 ( 1.229 -2.305 -5.059) 5.694 1.798 ( 3.772 2.628 -7.215) 8.555 1.949 ( 5.389 2.358 -6.527) 8.786 1.968 ( 2.494 1.913 -12.991) 13.366 2.089 ( 0.279 4.609 -3.001) 5.507 2.168 ( -2.822 2.253 4.373) 5.671 2.213 ( -1.211 3.064 -0.774) 3.384 2.260 ( 0.689 7.956 -1.832) 8.193 2.414 ( -1.696 1.443 0.254) 2.241 2.441 ( -2.738 5.365 -1.247) 6.151 2.554 ( -5.328 -0.666 1.519) 5.581 2.640 ( -3.361 2.655 4.464) 6.187 2.716 ( -1.407 8.165 1.895) 8.499 2.874 ( -1.936 4.380 2.173) 5.258 2.938 ( 2.535 7.093 -0.297) 7.538 3.055 ( -3.153 3.831 7.971) 9.389 3.121 ( 1.004 4.000 2.925) 5.056 3.156 ( -1.618 6.356 2.604) 7.057 3.375 ( 7.960 2.499 -4.727) 9.589 3.541 ( -3.626 -4.720 2.428) 6.428 3.607 ( -0.492 -2.678 -0.391) 2.751 3.937 ( 0.940 3.696 4.420) 5.838 3.999 ( -6.691 3.452 0.696) 7.561 4.059 ( -0.222 0.386 8.165) 8.177 4.324 ( 4.978 2.474 -4.898) 7.409 4.372 ( 5.973 -3.924 -2.884) 7.707 4.468 ( 2.054 -1.751 -1.412) 3.046 4.594 ( 2.478 2.483 -1.097) 3.676 4.623 ( -3.117 -3.853 -0.239) 4.961 4.945 ( 0.623 -1.837 0.115) 1.943 4.988 ( 1.751 -2.312 3.578) 4.606 5.067 ( 0.344 0.476 -1.554) 1.661 5.101 ( -1.688 0.352 -0.200) 1.736 5.254 ( 0.702 2.503 -1.420) 2.962 5.342 ( 7.656 0.312 -0.699) 7.694 5.424 ( 8.175 -1.782 -2.314) 8.681 5.528 ( 1.648 2.274 -2.059) 3.482 5.597 ( -0.556 1.815 -6.732) 6.995 5.630 ( -0.885 4.694 -6.101) 7.748 5.748 ( -3.973 3.935 -0.375) 5.604 5.879 ( -4.542 -2.650 4.861) 7.161 5.933 ( -2.087 -0.376 7.079) 7.390 6.043 ( -0.427 -1.076 -2.746) 2.980 6.197 ( -0.313 -0.360 -4.040) 4.068 6.265 ( 3.187 3.730 2.271) 5.406 8.100 ( 2.062 1.695 0.699) 2.759 8.241 ( -4.860 1.347 0.036) 5.043 8.376 ( -1.738 0.104 2.593) 3.124 8.443 ( -2.291 4.399 0.944) 5.049 8.654 ( -1.243 -0.105 1.927) 2.296 8.717 ( -3.459 -3.800 4.602) 6.898 8.951 ( -0.658 6.284 4.413) 7.707 9.118 ( -1.966 0.492 3.651) 4.176 9.232 ( 4.533 2.265 -4.375) 6.695 9.417 ( -0.843 -2.021 -0.837) 2.344 9.613 ( -5.114 -2.084 6.395) 8.449 9.745 ( 0.986 -4.411 -2.163) 5.011 9.817 ( -0.453 -8.535 1.628) 8.701 10.073 ( -1.425 4.252 -0.816) 4.558 10.513 ( 2.260 -13.080 -1.349) 13.342 10.688 ( 1.569 -13.021 -2.996) 13.453 10.980 ( 4.017 -8.444 -3.048) 9.835 10.995 ( 3.361 -13.282 -2.135) 13.866 11.174 ( 3.298 -5.019 -3.003) 6.714 11.190 ( 2.087 -2.232 -2.765) 4.121 19.984 ( -2.188 0.204 4.311) 4.839 20.219 ( -0.898 -3.989 2.096) 4.595 20.293 ( 1.490 0.130 -2.588) 2.989 20.373 ( 0.197 -0.452 0.906) 1.032 20.730 ( 3.951 -0.739 0.297) 4.031 20.811 ( 3.030 4.780 1.279) 5.802 21.169 ( -0.941 -3.772 0.329) 3.902 21.267 ( -0.295 2.459 -2.020) 3.196 21.390 ( -4.192 5.686 3.035) 7.689 21.680 ( 0.516 10.035 -5.129) 11.282 22.344 ( 0.756 -9.052 4.110) 9.970 22.518 ( 0.928 -0.219 -0.742) 1.208 22.675 ( 2.253 7.209 0.300) 7.559 22.746 ( -2.267 8.940 0.750) 9.254 22.797 ( -4.176 8.340 3.887) 10.105 23.393 ( 3.572 -2.357 -7.802) 8.899 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 4.129 9.810 9.338) 14.159 1.373 ( -0.405 2.706 4.390) 5.172 1.419 ( -2.620 5.739 -1.903) 6.589 1.622 ( 5.240 -0.582 -4.041) 6.642 1.776 ( -0.978 -0.670 -2.879) 3.114 1.850 ( 3.132 1.654 -6.405) 7.319 1.979 ( 0.955 0.890 -7.885) 7.992 2.045 ( 1.209 9.301 -4.245) 10.295 2.105 ( -1.065 0.476 -4.697) 4.840 2.188 ( 0.320 0.046 -1.192) 1.235 2.243 ( -0.311 9.626 -4.010) 10.433 2.368 ( -1.772 4.896 -0.148) 5.209 2.461 ( -1.869 3.947 0.857) 4.450 2.516 ( 3.357 2.850 2.593) 5.111 2.609 ( -2.730 3.334 3.918) 5.824 2.714 ( 0.584 7.235 0.655) 7.288 2.858 ( -3.569 2.805 1.895) 4.919 3.005 ( -5.740 4.585 3.479) 8.129 3.019 ( 4.172 8.886 1.419) 9.919 3.157 ( -1.687 5.672 2.922) 6.599 3.205 ( 1.850 4.084 4.172) 6.124 3.475 ( 4.579 -1.976 0.238) 4.993 3.499 ( 0.405 -4.053 1.046) 4.205 3.624 ( 1.510 0.739 -0.112) 1.685 3.876 ( -6.734 3.459 1.511) 7.719 4.010 ( 0.850 0.383 4.527) 4.622 4.131 ( -0.680 3.041 7.987) 8.573 4.331 ( 0.548 -3.089 -4.159) 5.209 4.447 ( 1.842 -1.329 0.654) 2.364 4.491 ( 4.596 1.549 -4.383) 6.537 4.530 ( -5.505 -3.244 -1.569) 6.580 4.622 ( 0.950 2.061 -0.512) 2.326 4.936 ( -1.692 -4.204 -0.124) 4.534 5.028 ( -0.844 -2.116 -1.120) 2.539 5.071 ( 1.263 -1.739 4.868) 5.322 5.139 ( 2.093 4.063 2.010) 4.993 5.253 ( 1.421 0.206 -2.221) 2.645 5.324 ( -8.665 1.410 -5.692) 10.463 5.379 ( -4.685 0.721 1.181) 4.885 5.461 ( -7.015 3.255 -4.373) 8.884 5.527 ( -3.833 4.367 -4.664) 7.451 5.579 ( -0.145 1.243 -8.090) 8.186 5.723 ( -2.138 0.523 -1.815) 2.853 5.826 ( 11.003 4.715 0.822) 11.999 5.883 ( -4.484 -4.747 2.225) 6.898 6.063 ( -3.946 5.075 2.305) 6.829 6.261 ( 10.058 -5.565 0.130) 11.496 6.345 ( 0.448 -0.227 1.094) 1.204 8.158 ( -0.723 1.603 0.979) 2.012 8.196 ( 2.993 4.114 0.486) 5.111 8.405 ( 2.217 -0.497 1.491) 2.718 8.475 ( 4.815 3.631 2.335) 6.467 8.690 ( 1.781 0.380 2.796) 3.336 8.740 ( 1.593 -3.698 5.348) 6.694 8.996 ( -0.237 5.458 4.810) 7.279 9.124 ( -0.950 0.685 3.082) 3.297 9.297 ( 5.459 0.441 -0.318) 5.486 9.382 ( -1.567 -1.448 -1.350) 2.525 9.540 ( -7.391 0.285 3.239) 8.075 9.769 ( 2.542 -5.048 0.434) 5.668 9.886 ( 4.251 -5.870 2.711) 7.738 10.049 ( 1.355 1.065 -2.325) 2.894 10.501 ( -2.648 -11.046 -0.892) 11.394 10.628 ( -3.965 -13.132 -5.598) 14.816 10.928 ( -5.030 -11.892 -2.986) 13.253 11.009 ( -1.708 -8.730 -3.764) 9.659 11.146 ( -2.958 -5.144 -4.102) 7.214 11.165 ( -0.196 -5.000 -2.097) 5.426 19.979 ( -2.553 0.157 4.053) 4.793 20.220 ( -0.922 -4.103 1.641) 4.514 20.301 ( 1.103 -0.489 -1.485) 1.913 20.404 ( 2.235 -1.335 1.227) 2.878 20.754 ( -2.965 0.020 1.234) 3.211 20.816 ( -2.837 4.341 1.312) 5.349 21.166 ( -1.919 -1.990 -0.126) 2.768 21.251 ( 2.808 4.372 -1.713) 5.471 21.382 ( 0.084 6.236 1.992) 6.547 21.676 ( 4.603 7.313 -4.971) 9.969 22.370 ( -2.305 -8.960 4.846) 10.444 22.518 ( -0.232 -1.173 -0.967) 1.538 22.693 ( -0.826 6.331 0.505) 6.405 22.740 ( -0.273 6.869 0.978) 6.943 22.773 ( -1.100 11.251 3.504) 11.835 23.394 ( 4.810 -1.894 -7.982) 9.510 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -12.517 5.541 -13.222) 19.031 1.276 ( -13.665 6.471 3.514) 15.522 1.467 ( 3.955 2.418 -2.677) 5.353 1.678 ( 2.969 0.191 -4.285) 5.217 1.800 ( -0.536 4.167 1.937) 4.626 1.828 ( 1.948 4.036 -5.276) 6.922 1.917 ( -3.650 9.614 0.975) 10.330 2.101 ( 1.911 7.278 -3.623) 8.352 2.140 ( 7.995 1.199 0.028) 8.084 2.185 ( 1.338 4.425 -5.477) 7.167 2.270 ( 9.442 2.174 1.270) 9.772 2.350 ( -1.662 4.038 5.369) 6.921 2.462 ( 2.788 3.361 -1.339) 4.567 2.569 ( 0.047 -1.374 -0.584) 1.494 2.656 ( 3.782 6.367 3.495) 8.189 2.761 ( 1.668 4.040 1.538) 4.634 2.806 ( -2.213 5.669 3.330) 6.937 2.912 ( -5.036 4.631 -1.167) 6.941 3.076 ( -0.816 10.357 -1.777) 10.540 3.122 ( -0.209 3.529 2.068) 4.096 3.258 ( -0.011 0.228 2.819) 2.828 3.462 ( -4.787 -1.289 2.682) 5.637 3.648 ( 2.035 2.399 -0.598) 3.202 3.661 ( 7.183 -2.710 4.055) 8.683 3.774 ( -5.586 2.884 3.203) 7.055 4.030 ( -3.562 -2.797 4.660) 6.499 4.187 ( -0.656 2.686 5.331) 6.005 4.293 ( 0.203 -4.078 -4.055) 5.755 4.378 ( -4.550 4.000 -1.049) 6.148 4.471 ( -2.201 2.440 0.927) 3.415 4.530 ( 0.470 -2.962 -0.614) 3.061 4.633 ( 2.972 -0.193 -6.023) 6.719 4.886 ( -2.854 -3.950 -0.982) 4.972 4.993 ( -5.063 -5.877 -1.266) 7.860 5.040 ( -2.438 -1.628 0.640) 3.000 5.131 ( -1.788 3.941 -1.414) 4.553 5.211 ( -4.714 -0.521 1.368) 4.936 5.256 ( -6.886 6.410 -1.175) 9.481 5.287 ( -2.258 -1.360 1.197) 2.895 5.359 ( -1.718 8.280 -4.321) 9.496 5.374 ( -2.473 0.986 -2.843) 3.895 5.476 ( 1.399 3.882 1.127) 4.277 5.768 ( 0.959 -4.575 2.167) 5.152 5.850 ( 2.354 -1.978 -1.868) 3.598 5.978 ( -0.331 4.474 -0.517) 4.516 6.059 ( 1.025 -4.130 0.555) 4.291 6.269 ( -1.254 3.709 0.116) 3.917 6.495 ( 12.586 -4.058 -0.522) 13.235 8.118 ( -1.340 3.583 -1.902) 4.272 8.302 ( 5.210 4.520 2.556) 7.356 8.470 ( 2.509 -1.712 1.070) 3.221 8.623 ( 7.569 4.237 0.999) 8.732 8.774 ( 5.025 1.755 3.907) 6.602 8.839 ( 3.976 -4.282 1.363) 6.000 9.002 ( -1.314 -0.758 0.114) 1.521 9.152 ( 0.373 1.240 3.602) 3.828 9.344 ( -0.263 -0.848 -1.247) 1.530 9.415 ( -2.786 2.726 5.010) 6.348 9.454 ( 2.628 4.986 2.848) 6.315 9.837 ( 3.683 -4.952 1.783) 6.424 9.970 ( 4.538 -3.061 -1.649) 5.717 10.111 ( 5.602 -5.831 -0.028) 8.086 10.398 ( -7.842 -4.404 -0.773) 9.027 10.450 ( -7.886 -12.115 -6.693) 15.930 10.756 ( -11.264 -9.979 -1.640) 15.138 10.867 ( -6.572 -11.108 -5.696) 14.107 11.012 ( -8.122 -8.739 -2.821) 12.259 11.151 ( -1.634 -6.774 0.648) 6.998 19.970 ( -2.453 0.428 3.906) 4.632 20.216 ( -0.990 -4.080 1.227) 4.374 20.299 ( -0.166 -0.349 -0.552) 0.674 20.466 ( 3.350 -4.436 -0.307) 5.567 20.658 ( -6.477 0.337 -0.937) 6.553 20.771 ( -5.259 5.171 4.888) 8.848 21.063 ( -5.750 -2.507 -4.896) 7.958 21.331 ( 3.534 5.624 3.342) 7.436 21.407 ( 1.126 7.512 -0.237) 7.600 21.764 ( 9.690 3.000 -4.456) 11.079 22.364 ( -3.621 -8.499 6.032) 11.033 22.492 ( -1.263 -3.082 -1.390) 3.609 22.676 ( -1.490 3.541 0.673) 3.900 22.707 ( -4.630 5.830 2.733) 7.930 22.838 ( 4.927 13.362 0.550) 14.252 23.430 ( 7.800 3.896 -7.874) 11.748 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -14.447 11.166 -5.895) 19.187 0.994 ( -18.617 10.746 2.984) 21.702 1.466 ( 0.493 1.604 -4.727) 5.016 1.642 ( -10.405 17.544 0.415) 20.401 1.691 ( -9.403 4.043 0.977) 10.282 1.839 ( 5.833 2.959 -4.579) 7.984 1.906 ( -0.891 6.998 0.702) 7.089 2.070 ( 1.125 6.754 -4.204) 8.035 2.155 ( 0.246 6.193 -3.637) 7.187 2.293 ( 6.857 -0.408 2.051) 7.169 2.337 ( 3.047 1.429 2.297) 4.075 2.462 ( 0.786 -2.052 0.440) 2.241 2.538 ( 5.265 2.938 0.546) 6.054 2.640 ( 8.719 1.863 1.444) 9.032 2.744 ( 1.834 8.139 2.028) 8.586 2.767 ( 0.076 0.821 1.963) 2.129 2.804 ( 0.499 3.603 1.085) 3.796 2.916 ( 2.321 5.125 2.766) 6.269 3.037 ( -1.293 7.622 -0.631) 7.756 3.143 ( 0.701 1.887 -1.002) 2.249 3.257 ( -1.754 -0.179 0.681) 1.890 3.360 ( -7.102 2.247 1.996) 7.712 3.611 ( -4.419 6.640 0.674) 8.005 3.732 ( 1.300 -7.514 3.646) 8.453 3.838 ( 3.005 1.047 2.923) 4.321 4.001 ( -3.447 -0.926 3.892) 5.281 4.161 ( -5.373 0.772 0.693) 5.473 4.255 ( -4.357 -1.068 0.616) 4.528 4.369 ( 3.695 2.051 -3.503) 5.489 4.412 ( -4.368 2.097 2.022) 5.250 4.542 ( 2.743 -4.914 -4.851) 7.430 4.590 ( -0.278 -0.388 -0.981) 1.091 4.814 ( -5.480 -3.602 0.956) 6.627 4.928 ( -0.704 -2.793 -0.239) 2.890 5.019 ( -2.480 -1.766 1.600) 3.439 5.066 ( -4.809 1.432 -0.936) 5.104 5.128 ( -3.326 0.368 1.985) 3.891 5.183 ( 0.126 5.302 -2.907) 6.048 5.186 ( -4.592 4.424 -2.366) 6.801 5.232 ( -2.237 -0.153 -1.475) 2.683 5.443 ( 3.587 4.073 -0.265) 5.434 5.620 ( 4.796 1.365 2.981) 5.809 5.760 ( -2.853 -1.243 3.744) 4.869 5.835 ( -4.345 -5.840 -4.785) 8.711 5.978 ( 6.767 -1.151 -2.235) 7.218 6.068 ( 3.943 -0.790 1.492) 4.289 6.260 ( -2.973 4.876 -0.611) 5.744 6.746 ( 15.468 -0.992 -2.366) 15.680 8.098 ( 1.161 3.192 -1.400) 3.673 8.422 ( 4.048 5.004 3.314) 7.239 8.487 ( -0.718 -0.571 0.999) 1.357 8.718 ( -0.844 1.266 2.037) 2.543 8.814 ( 1.510 -2.943 -4.846) 5.867 8.959 ( 3.660 -1.214 1.307) 4.071 9.017 ( 5.879 1.725 1.788) 6.382 9.160 ( -1.313 0.483 -1.153) 1.813 9.323 ( -1.432 1.801 2.094) 3.111 9.427 ( 2.989 1.675 2.124) 4.031 9.582 ( 3.178 5.793 4.230) 7.846 9.910 ( 2.154 -4.901 -1.132) 5.472 10.047 ( 1.563 -8.890 0.558) 9.043 10.130 ( -4.189 -6.269 -1.786) 7.749 10.232 ( -1.930 -0.973 -6.757) 7.095 10.327 ( -2.601 -2.412 3.938) 5.300 10.556 ( -7.510 -8.331 1.326) 11.295 10.710 ( -5.905 -16.139 -4.356) 17.729 10.826 ( -9.243 -9.622 -0.211) 13.343 11.087 ( -6.106 -7.382 0.037) 9.580 19.963 ( -2.324 0.665 3.810) 4.512 20.208 ( -0.782 -2.904 0.556) 3.059 20.296 ( -0.192 -0.508 1.449) 1.548 20.473 ( -2.574 -6.119 -2.534) 7.106 20.544 ( -3.764 -0.409 -0.812) 3.872 20.724 ( -4.063 6.983 2.401) 8.428 20.893 ( -8.744 -10.041 -2.216) 13.498 21.397 ( 0.525 3.697 -1.937) 4.206 21.433 ( 1.594 7.780 5.493) 9.656 21.913 ( 10.623 1.502 -5.236) 11.938 22.331 ( -6.354 -9.546 3.128) 11.887 22.457 ( -1.051 -5.225 -0.145) 5.331 22.626 ( -3.066 3.721 -2.084) 5.252 22.662 ( -3.740 3.309 4.741) 6.886 22.944 ( 5.713 14.587 0.687) 15.681 23.547 ( 14.905 16.529 -10.198) 24.482 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -8.500 17.238 12.996) 23.201 0.722 ( -15.748 17.296 9.011) 25.067 1.282 ( -22.237 32.042 10.697) 40.442 1.461 ( -4.112 3.415 -0.332) 5.356 1.573 ( -3.276 -2.964 -0.210) 4.422 1.872 ( -0.910 9.827 1.868) 10.045 1.963 ( 9.524 0.938 -5.698) 11.138 2.068 ( 1.005 14.342 -2.574) 14.606 2.162 ( 4.124 -1.297 -2.778) 5.139 2.362 ( 2.098 -6.240 -2.069) 6.901 2.455 ( 1.566 -1.362 -0.836) 2.237 2.502 ( 3.674 1.398 8.702) 9.549 2.631 ( 3.484 2.047 0.773) 4.114 2.704 ( 0.643 5.276 -1.751) 5.596 2.758 ( -1.403 8.184 2.809) 8.766 2.815 ( 2.236 -2.683 2.617) 4.365 2.891 ( -1.123 5.104 4.862) 7.138 2.975 ( 2.773 2.378 1.398) 3.911 3.027 ( 3.650 5.866 -1.699) 7.114 3.143 ( -0.149 2.180 -1.231) 2.508 3.210 ( -2.145 2.111 -1.772) 3.493 3.287 ( -1.767 -1.945 -0.174) 2.633 3.557 ( -3.139 7.844 3.224) 9.043 3.821 ( 3.050 -4.726 4.687) 7.321 3.850 ( -3.332 -3.295 0.257) 4.693 3.951 ( -4.398 0.039 -3.238) 5.462 4.069 ( -4.019 3.346 4.725) 7.048 4.135 ( -7.197 -2.372 -1.034) 7.648 4.294 ( -3.167 0.144 -10.025) 10.514 4.393 ( -0.312 2.606 3.540) 4.407 4.585 ( 5.107 -3.357 -0.312) 6.119 4.648 ( 2.052 0.333 1.078) 2.342 4.722 ( -4.585 -0.344 1.619) 4.874 4.905 ( -1.672 -0.007 -1.934) 2.557 4.966 ( -3.881 -1.788 0.642) 4.321 4.993 ( -2.135 0.824 0.531) 2.350 5.070 ( -3.126 -8.982 -1.891) 9.697 5.170 ( 4.022 5.399 -0.958) 6.801 5.188 ( 2.074 1.475 -0.978) 2.727 5.242 ( 1.506 1.590 1.239) 2.516 5.462 ( -2.713 5.271 2.350) 6.377 5.567 ( -6.156 -5.876 -1.975) 8.736 5.746 ( -1.333 2.216 1.095) 2.808 5.786 ( 1.629 2.604 -4.944) 5.820 6.121 ( 8.012 -1.816 -1.749) 8.400 6.173 ( -1.351 4.145 -2.220) 4.892 6.213 ( 6.914 -0.603 1.995) 7.221 6.957 ( 11.079 -3.705 -6.246) 13.247 8.136 ( 3.440 2.460 0.354) 4.243 8.398 ( -5.575 0.032 1.194) 5.701 8.584 ( 3.438 4.284 3.589) 6.562 8.633 ( -2.833 6.376 -0.283) 6.983 8.807 ( -1.912 -2.162 -2.581) 3.871 9.017 ( 4.153 -5.537 2.516) 7.365 9.138 ( 4.362 -1.583 -2.236) 5.151 9.183 ( 3.529 2.162 7.544) 8.605 9.313 ( -2.033 0.556 1.389) 2.525 9.489 ( 2.606 0.839 -3.516) 4.457 9.670 ( 3.467 4.336 5.033) 7.493 9.844 ( -8.468 -6.580 3.000) 11.135 9.894 ( -7.899 -7.651 -5.937) 12.497 10.039 ( -7.524 0.920 0.728) 7.615 10.295 ( 5.156 -2.193 0.326) 5.613 10.365 ( 0.491 -6.908 3.539) 7.777 10.533 ( 1.288 -11.391 -0.967) 11.504 10.595 ( 1.069 -8.217 -4.526) 9.442 10.742 ( -0.146 -6.799 0.599) 6.827 10.941 ( -7.848 -8.048 -1.756) 11.377 19.955 ( -2.288 0.747 3.336) 4.114 20.198 ( -0.146 -1.135 -1.319) 1.746 20.331 ( 1.229 -0.940 1.776) 2.355 20.379 ( -3.383 -1.368 0.777) 3.731 20.504 ( -2.350 -0.718 -0.137) 2.461 20.549 ( -14.747 -13.916 -0.946) 20.298 20.774 ( -5.636 -3.311 4.929) 8.187 21.360 ( -0.374 2.229 -5.458) 5.908 21.519 ( 0.176 4.013 8.219) 9.149 22.002 ( 3.748 0.127 -6.321) 7.350 22.208 ( -4.576 -4.993 0.481) 6.790 22.454 ( -1.132 -4.774 1.984) 5.293 22.573 ( -1.188 4.638 -0.430) 4.807 22.637 ( -3.349 2.991 3.527) 5.710 23.038 ( 3.404 13.799 0.752) 14.232 23.770 ( 24.938 30.255 -24.574) 46.273 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -1.255 20.237 8.821) 22.112 1.059 ( -0.473 19.577 11.752) 22.838 1.435 ( 0.537 4.191 -0.710) 4.285 1.575 ( 5.353 0.386 5.188) 7.465 1.902 ( -0.948 15.938 9.279) 18.466 1.975 ( -0.124 2.765 4.712) 5.465 2.049 ( 1.671 1.845 -2.618) 3.612 2.105 ( 3.091 -2.438 -2.379) 4.600 2.272 ( 2.520 9.927 -7.104) 12.464 2.288 ( -0.697 0.234 -4.815) 4.871 2.540 ( 0.534 4.945 5.794) 7.636 2.576 ( -1.706 -0.688 2.318) 2.959 2.625 ( -4.084 1.716 4.387) 6.234 2.746 ( -1.356 0.919 -3.485) 3.851 2.824 ( -0.740 3.117 0.818) 3.307 2.931 ( 2.105 2.439 -0.077) 3.223 2.960 ( -0.970 0.834 1.543) 2.004 3.022 ( -2.670 2.052 0.942) 3.496 3.060 ( -2.363 -4.574 -1.253) 5.298 3.206 ( 0.080 7.168 -2.491) 7.589 3.268 ( -1.338 11.345 -0.130) 11.424 3.431 ( 0.059 15.755 0.016) 15.755 3.668 ( 3.909 4.074 -6.780) 8.823 3.697 ( -4.981 -5.913 -4.186) 8.792 3.817 ( -0.767 6.589 2.875) 7.230 4.001 ( 5.272 1.993 1.630) 5.868 4.110 ( -2.203 1.694 0.477) 2.819 4.130 ( -2.271 4.372 2.430) 5.493 4.260 ( 1.617 3.968 -1.351) 4.493 4.444 ( 1.247 -4.077 -0.540) 4.298 4.551 ( 0.804 0.982 0.943) 1.581 4.697 ( -3.527 2.237 -2.073) 4.663 4.744 ( 1.995 1.617 -0.261) 2.581 4.804 ( -1.981 -2.948 0.230) 3.560 4.862 ( 0.284 -4.291 1.038) 4.424 4.925 ( -1.185 -0.519 0.065) 1.295 5.003 ( 1.297 0.709 -0.033) 1.479 5.106 ( -0.326 -6.906 -1.165) 7.011 5.262 ( -0.461 1.544 3.932) 4.249 5.367 ( 0.716 2.282 1.956) 3.089 5.454 ( 1.967 5.427 1.376) 5.934 5.541 ( -1.018 1.375 -1.388) 2.203 5.765 ( 0.990 2.242 -4.299) 4.949 5.855 ( -0.109 6.996 -6.695) 9.684 6.180 ( 2.488 -7.889 5.310) 9.830 6.232 ( 1.990 5.959 -2.204) 6.658 6.288 ( -1.251 3.264 -1.810) 3.937 6.780 ( 1.629 -16.509 -8.318) 18.558 8.216 ( -1.811 2.749 2.086) 3.897 8.372 ( -0.480 4.012 -0.559) 4.079 8.607 ( -5.285 -7.447 3.404) 9.746 8.635 ( 0.145 1.540 1.343) 2.048 8.804 ( 0.375 -0.053 3.033) 3.057 9.012 ( 2.577 -4.969 3.158) 6.427 9.134 ( -1.425 -2.627 1.438) 3.317 9.300 ( -1.932 7.805 0.033) 8.041 9.380 ( 0.314 3.821 2.853) 4.779 9.480 ( 0.299 2.147 -0.616) 2.253 9.623 ( 4.559 -5.718 3.597) 8.149 9.772 ( -3.594 -1.535 -0.062) 3.909 9.826 ( -0.401 -0.620 2.989) 3.078 9.996 ( 1.846 -5.768 -4.170) 7.353 10.074 ( 0.429 -7.340 0.306) 7.359 10.183 ( -1.581 -17.801 3.987) 18.310 10.387 ( 8.420 -3.440 -5.935) 10.861 10.489 ( -8.849 -10.024 -2.888) 13.679 10.541 ( 6.580 -6.500 -1.878) 9.438 10.654 ( -5.113 -7.852 -5.903) 11.074 19.964 ( -2.096 1.396 3.067) 3.969 20.085 ( -4.034 -3.001 2.610) 5.665 20.286 ( -0.539 1.086 -0.754) 1.428 20.320 ( 0.258 -0.445 -0.859) 1.002 20.451 ( 5.287 -0.196 2.419) 5.817 20.533 ( 4.628 -2.873 5.419) 7.683 20.740 ( -3.572 4.621 0.847) 5.901 21.230 ( 0.255 -7.325 -6.901) 10.067 21.696 ( -1.298 7.747 6.181) 9.995 22.017 ( 2.490 -1.423 0.531) 2.917 22.191 ( 0.310 -0.648 -0.987) 1.221 22.324 ( -1.603 -5.573 -0.703) 5.842 22.681 ( 0.637 6.132 0.499) 6.186 22.703 ( -0.945 5.529 0.759) 5.660 23.399 ( -0.396 19.573 1.849) 19.664 24.069 ( 2.721 2.489 -19.197) 19.548 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 6.025 17.016 8.256) 19.849 1.240 ( 5.690 13.454 13.411) 19.830 1.538 ( 8.678 6.740 -0.521) 11.001 1.713 ( 5.773 2.664 1.006) 6.437 1.917 ( -0.492 -5.844 -1.957) 6.183 1.992 ( -2.144 -0.599 -1.828) 2.881 2.090 ( 0.438 -1.482 -1.363) 2.060 2.177 ( 4.613 14.437 6.605) 16.532 2.201 ( -3.725 5.313 -0.676) 6.524 2.279 ( -0.130 5.739 -1.478) 5.927 2.548 ( -2.850 -1.340 2.998) 4.348 2.557 ( -3.307 2.972 4.003) 5.983 2.614 ( 0.097 4.854 3.020) 5.717 2.672 ( -3.307 3.254 -3.368) 5.733 2.821 ( -0.598 2.926 -1.500) 3.342 2.901 ( -2.538 4.561 -1.146) 5.344 2.937 ( -2.739 2.446 3.277) 4.921 2.998 ( -0.301 2.265 -0.372) 2.315 3.021 ( -1.650 0.043 1.701) 2.370 3.192 ( 1.036 6.153 -2.898) 6.880 3.254 ( 1.167 7.327 -0.393) 7.430 3.426 ( -0.015 15.078 -3.016) 15.377 3.598 ( -1.072 -4.493 -1.092) 4.747 3.685 ( 3.924 4.215 -4.490) 7.302 3.856 ( -0.755 6.096 5.023) 7.935 4.028 ( -0.739 1.168 -4.489) 4.697 4.084 ( -2.370 3.027 -1.934) 4.304 4.152 ( 1.939 -0.038 5.582) 5.910 4.305 ( 4.028 4.811 -1.367) 6.422 4.484 ( 3.222 -4.214 -0.590) 5.337 4.535 ( -3.323 2.704 -0.379) 4.301 4.619 ( -0.504 0.531 0.066) 0.735 4.765 ( 0.562 1.184 1.957) 2.355 4.825 ( 1.786 -3.034 -0.947) 3.646 4.890 ( 2.778 -1.587 -0.436) 3.229 4.914 ( 1.469 -1.667 1.320) 2.585 5.037 ( 2.330 0.130 -1.493) 2.771 5.134 ( 4.264 -5.796 -2.439) 7.598 5.329 ( 1.384 0.955 6.798) 7.003 5.384 ( 0.970 3.778 3.274) 5.093 5.503 ( -0.328 3.284 -3.577) 4.867 5.603 ( 6.963 3.931 1.776) 8.190 5.712 ( -1.947 3.016 -4.294) 5.596 5.776 ( 2.084 3.682 -5.895) 7.256 6.180 ( -4.262 5.690 -1.973) 7.378 6.200 ( -7.526 -8.116 7.114) 13.158 6.274 ( 1.967 4.236 -1.376) 4.869 6.648 ( -6.185 -13.461 -10.799) 18.332 8.195 ( -1.950 2.826 2.417) 4.199 8.406 ( 2.998 1.088 -1.103) 3.374 8.554 ( -2.389 0.905 3.079) 4.001 8.666 ( 0.334 -0.062 0.493) 0.598 8.817 ( -2.377 -3.003 5.498) 6.701 8.974 ( -4.889 1.472 -5.539) 7.533 9.126 ( -2.274 -3.830 6.056) 7.518 9.310 ( -1.179 8.500 3.186) 9.154 9.422 ( 0.121 0.411 2.390) 2.428 9.514 ( -4.045 5.616 -2.646) 7.410 9.540 ( -2.340 -3.101 -4.253) 5.760 9.763 ( -2.113 -9.997 4.433) 11.138 9.925 ( 8.040 -6.988 -0.604) 10.670 9.980 ( -2.713 -7.561 -3.226) 8.657 10.101 ( 2.024 -5.036 2.668) 6.047 10.214 ( 3.433 -15.579 1.935) 16.070 10.324 ( -5.076 -3.827 -5.175) 8.197 10.498 ( 4.946 -12.083 -0.456) 13.064 10.545 ( 6.912 -4.285 2.057) 8.389 10.692 ( 9.045 -6.812 -4.246) 12.093 19.964 ( -1.049 1.184 3.093) 3.474 20.073 ( -0.187 -2.838 2.168) 3.576 20.290 ( 1.152 1.156 -0.717) 1.782 20.368 ( 4.726 -1.771 1.145) 5.175 20.520 ( -0.029 0.349 -0.769) 0.845 20.591 ( 1.743 1.151 -3.883) 4.409 20.853 ( 9.134 -0.604 9.100) 12.908 21.205 ( 5.071 -5.602 -8.190) 11.143 21.714 ( -3.547 7.128 6.138) 10.053 22.056 ( 2.027 0.084 -3.403) 3.962 22.134 ( -6.860 -4.156 1.342) 8.132 22.322 ( 2.831 -6.002 0.245) 6.640 22.697 ( 0.596 6.169 -0.045) 6.198 22.727 ( 2.666 5.016 1.666) 5.919 23.370 ( -5.108 19.291 2.444) 20.105 23.846 ( -6.632 7.258 -15.325) 18.207 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 6.312 11.821 6.615) 14.945 1.479 ( 8.476 8.424 9.795) 15.452 1.650 ( 4.896 8.821 -4.767) 11.158 1.773 ( -2.093 2.612 -2.848) 4.395 1.866 ( -3.214 -0.181 -3.435) 4.708 1.905 ( -3.676 -2.512 1.794) 4.800 2.042 ( 0.407 -5.093 -5.541) 7.537 2.109 ( -2.014 -3.401 -3.099) 5.022 2.222 ( -3.021 7.946 3.650) 9.251 2.310 ( 2.336 8.539 -2.548) 9.212 2.506 ( -6.740 1.808 0.188) 6.981 2.538 ( -3.496 10.634 1.094) 11.247 2.604 ( -0.135 0.694 7.369) 7.403 2.647 ( -1.889 3.021 2.046) 4.108 2.775 ( -3.005 1.235 -0.698) 3.323 2.856 ( -1.334 3.515 1.233) 3.957 2.941 ( -2.631 6.054 4.960) 8.257 3.018 ( 0.138 -0.030 0.069) 0.158 3.037 ( 3.686 2.916 1.479) 4.928 3.172 ( 1.158 7.656 -3.232) 8.390 3.323 ( 6.117 9.305 0.885) 11.171 3.380 ( -0.225 14.623 -4.337) 15.254 3.613 ( -0.512 -0.629 0.987) 1.278 3.714 ( 0.009 2.974 -1.784) 3.468 3.854 ( -1.864 1.342 4.430) 4.990 3.964 ( -2.220 1.700 1.172) 3.032 4.098 ( 5.232 -1.231 -2.437) 5.902 4.184 ( -0.960 -0.050 1.480) 1.765 4.352 ( 3.332 4.122 -3.984) 6.630 4.453 ( -2.516 6.960 -1.384) 7.529 4.553 ( 5.213 -3.295 -5.244) 8.095 4.639 ( -0.586 0.294 3.862) 3.918 4.813 ( 3.262 -1.338 1.536) 3.846 4.848 ( 1.934 -2.308 -0.304) 3.026 4.945 ( 2.872 -4.741 -0.034) 5.543 5.026 ( 8.054 0.452 1.287) 8.168 5.094 ( 6.793 -2.164 -1.099) 7.214 5.202 ( 5.412 -2.304 -2.622) 6.440 5.382 ( -2.290 3.389 -0.123) 4.092 5.399 ( -2.835 4.263 5.441) 7.471 5.529 ( 5.582 10.029 2.418) 11.730 5.602 ( -0.011 2.642 -2.566) 3.683 5.704 ( 3.469 2.050 -0.591) 4.072 5.890 ( 6.106 -4.009 -1.571) 7.471 6.080 ( -4.398 2.915 0.960) 5.362 6.153 ( -5.288 -4.415 8.133) 10.659 6.261 ( 0.898 5.124 -4.799) 7.077 6.393 ( -9.146 -10.019 -10.459) 17.129 8.190 ( -1.939 3.184 2.847) 4.691 8.395 ( -1.975 0.355 -1.579) 2.553 8.590 ( -1.264 6.029 5.543) 8.286 8.648 ( -1.157 1.226 1.180) 2.057 8.816 ( -6.787 0.148 -2.678) 7.297 8.828 ( -3.067 2.854 -0.187) 4.194 9.116 ( -2.772 -1.729 1.563) 3.622 9.150 ( -13.337 -3.021 -1.961) 13.815 9.322 ( -1.467 3.703 -3.185) 5.100 9.454 ( -0.556 1.722 1.771) 2.532 9.608 ( -1.963 4.062 2.763) 5.290 9.687 ( -4.821 -9.823 -0.550) 10.956 9.862 ( -5.539 -8.989 -4.593) 11.514 10.004 ( 2.369 -15.824 -2.226) 16.155 10.185 ( 3.868 -13.952 3.381) 14.868 10.257 ( 1.371 -6.342 0.365) 6.499 10.384 ( 11.610 -7.649 2.466) 14.120 10.689 ( 13.908 -9.905 -0.742) 17.091 10.752 ( 7.975 -4.564 2.278) 9.467 10.816 ( 10.734 -6.514 -1.644) 12.663 19.979 ( -0.919 1.100 3.543) 3.822 20.100 ( 0.532 -3.704 2.255) 4.369 20.314 ( 1.583 1.319 0.042) 2.061 20.418 ( -2.303 -1.955 -1.801) 3.517 20.536 ( 8.648 1.598 -1.695) 8.956 20.609 ( 2.496 0.353 -2.137) 3.304 21.079 ( 7.197 0.542 4.235) 8.368 21.257 ( 7.732 -1.414 -6.913) 10.468 21.669 ( -7.108 5.891 5.130) 10.561 21.982 ( -5.818 2.783 -2.470) 6.906 22.072 ( -0.025 -5.919 0.770) 5.969 22.395 ( 3.491 -6.725 0.644) 7.604 22.720 ( 2.229 7.257 -0.268) 7.596 22.810 ( 3.936 3.603 2.398) 5.850 23.263 ( -8.257 18.271 1.300) 20.092 23.609 ( -6.678 6.789 -8.366) 12.676 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 1.263 7.088 2.268) 7.549 1.541 ( -8.889 9.541 -2.638) 13.304 1.618 ( -9.603 4.019 -0.652) 10.430 1.663 ( 0.845 3.523 -1.546) 3.938 1.849 ( 6.908 2.730 1.690) 7.618 1.871 ( 0.649 0.773 -4.486) 4.598 2.055 ( 4.329 -2.582 -7.299) 8.870 2.100 ( 1.232 -2.036 0.884) 2.539 2.232 ( -0.562 7.631 2.695) 8.113 2.297 ( -0.531 2.395 1.455) 2.852 2.356 ( -4.421 0.751 -2.317) 5.047 2.507 ( -2.394 7.348 -2.042) 7.994 2.584 ( -5.037 0.853 0.732) 5.161 2.644 ( -3.169 0.069 5.292) 6.169 2.719 ( -1.989 5.899 1.021) 6.309 2.873 ( -0.198 2.940 3.295) 4.421 2.940 ( -2.835 5.456 4.842) 7.826 3.023 ( 1.199 1.496 0.743) 2.056 3.106 ( 3.137 5.249 -0.720) 6.157 3.202 ( 2.143 9.890 0.128) 10.120 3.361 ( -1.044 10.761 0.642) 10.831 3.431 ( 7.166 10.020 -4.644) 13.166 3.560 ( -4.653 2.428 2.015) 5.622 3.609 ( -7.660 -0.773 -1.717) 7.888 3.930 ( 3.755 3.089 5.554) 7.382 3.982 ( -0.828 -1.371 5.167) 5.410 4.163 ( -0.031 0.729 -1.439) 1.613 4.194 ( 3.283 -2.797 1.460) 4.554 4.353 ( 1.487 2.039 -2.153) 3.317 4.436 ( 3.727 8.702 -5.100) 10.753 4.572 ( 3.346 -1.628 -5.793) 6.885 4.668 ( 0.384 1.963 2.061) 2.872 4.869 ( 1.111 -2.998 0.540) 3.242 4.899 ( 4.053 -0.538 -0.163) 4.092 5.018 ( 3.445 -6.098 0.288) 7.010 5.150 ( 2.758 0.537 -0.808) 2.924 5.190 ( 5.367 -2.620 -1.164) 6.084 5.295 ( 7.473 4.755 -0.368) 8.866 5.324 ( -1.464 5.149 -0.866) 5.422 5.478 ( 5.291 1.129 3.411) 6.396 5.576 ( 1.962 -0.076 1.626) 2.550 5.706 ( 3.443 3.506 0.992) 5.013 5.781 ( 6.336 4.764 0.996) 7.990 5.865 ( -4.141 -5.090 -0.582) 6.588 6.022 ( -9.676 -2.944 -3.987) 10.871 6.095 ( 3.375 6.288 -0.652) 7.167 6.177 ( -5.114 -7.232 -2.927) 9.329 6.330 ( 4.258 4.502 0.765) 6.244 8.158 ( -2.925 3.591 0.280) 4.640 8.338 ( -4.373 1.195 2.066) 4.982 8.530 ( -12.318 2.706 -4.311) 13.329 8.571 ( -5.310 3.985 5.324) 8.510 8.688 ( -3.156 -1.296 0.574) 3.459 8.748 ( -3.882 3.652 2.472) 5.875 9.027 ( -1.305 1.246 -0.348) 1.838 9.108 ( -0.454 -1.445 2.935) 3.302 9.289 ( 1.222 3.215 -3.183) 4.686 9.435 ( -3.140 0.823 0.712) 3.323 9.575 ( -4.030 -2.380 5.089) 6.914 9.621 ( -1.228 -9.043 -0.670) 9.151 9.711 ( -5.352 -9.311 -3.049) 11.164 10.037 ( 3.306 -11.511 -2.047) 12.150 10.257 ( -0.239 -10.716 0.650) 10.739 10.320 ( 5.035 -14.981 0.370) 15.809 10.617 ( 10.692 -9.047 0.969) 14.040 10.811 ( 4.275 -7.562 -4.703) 9.879 10.933 ( 11.080 -6.693 -1.321) 13.012 11.028 ( 9.091 -5.014 0.917) 10.423 19.991 ( -1.547 0.999 3.750) 4.178 20.127 ( -0.111 -4.173 2.450) 4.840 20.321 ( 0.283 1.121 -3.120) 3.327 20.368 ( -0.799 -0.452 -0.700) 1.154 20.648 ( 5.476 1.416 -1.680) 5.900 20.729 ( 9.893 1.149 2.726) 10.325 21.159 ( -0.081 0.888 -1.108) 1.423 21.312 ( 3.313 0.340 -4.750) 5.801 21.577 ( -7.389 6.190 5.243) 10.972 21.898 ( -0.962 6.378 -1.603) 6.646 22.097 ( 0.822 -8.690 2.144) 8.989 22.445 ( 2.120 -6.249 -0.724) 6.638 22.773 ( 3.814 8.573 -0.109) 9.384 22.894 ( 2.358 4.908 2.473) 5.980 23.116 ( -7.842 15.943 -0.116) 17.768 23.449 ( -4.322 3.083 -4.925) 7.241 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -2.464 6.171 1.978) 6.933 1.477 ( -4.004 7.736 1.825) 8.900 1.507 ( 0.568 5.949 5.350) 8.021 1.602 ( -2.335 2.182 1.163) 3.401 1.838 ( 2.064 2.030 -8.565) 9.041 1.959 ( 0.988 1.364 -10.906) 11.036 2.031 ( 2.909 1.708 -2.807) 4.389 2.120 ( -0.300 -0.840 -1.047) 1.376 2.158 ( -4.384 -0.741 -0.873) 4.532 2.320 ( -3.676 4.647 -2.629) 6.482 2.385 ( 2.130 -1.919 -3.301) 4.372 2.418 ( 3.936 1.964 3.623) 5.699 2.533 ( -0.510 6.049 -2.607) 6.607 2.598 ( -3.548 5.302 1.685) 6.598 2.717 ( -1.766 6.128 2.717) 6.932 2.891 ( -3.985 7.515 4.534) 9.639 2.923 ( -0.820 0.966 2.048) 2.409 3.089 ( 4.766 3.604 1.169) 6.088 3.167 ( 2.439 8.087 3.728) 9.233 3.218 ( -2.305 6.876 2.068) 7.542 3.330 ( -0.020 11.041 0.061) 11.041 3.424 ( -3.585 0.297 -1.889) 4.063 3.513 ( -3.156 4.392 3.075) 6.221 3.580 ( 4.292 2.062 0.796) 4.828 3.982 ( -0.891 0.630 1.959) 2.243 4.052 ( -2.052 0.794 4.034) 4.595 4.104 ( -1.099 4.577 3.517) 5.876 4.269 ( 1.849 -1.909 0.075) 2.659 4.397 ( 2.463 -0.852 2.446) 3.574 4.465 ( 5.988 5.926 -7.900) 11.550 4.583 ( 2.180 -0.002 -3.538) 4.156 4.670 ( -0.827 2.425 -0.190) 2.569 4.881 ( 0.162 -2.725 -0.323) 2.749 4.978 ( 2.337 -0.040 4.067) 4.690 5.033 ( 0.463 -2.455 -1.400) 2.864 5.167 ( 0.169 3.733 -0.325) 3.751 5.261 ( 1.861 -0.445 -1.353) 2.344 5.322 ( 3.572 -0.314 0.209) 3.592 5.441 ( 5.520 2.574 -0.616) 6.121 5.562 ( 1.462 0.555 -2.434) 2.893 5.601 ( 1.169 -0.646 -1.159) 1.768 5.704 ( -3.784 1.767 -4.733) 6.312 5.806 ( 0.003 -1.555 -2.811) 3.212 5.818 ( -1.518 -1.362 1.252) 2.394 5.919 ( -2.771 -0.755 -0.395) 2.899 6.024 ( -2.119 -1.819 1.099) 3.001 6.219 ( 3.156 4.487 -1.988) 5.835 6.364 ( 1.471 6.030 -1.409) 6.365 8.138 ( 0.477 2.204 2.352) 3.258 8.252 ( -4.379 -0.213 -0.219) 4.390 8.385 ( -2.182 0.981 2.969) 3.812 8.511 ( -5.725 0.666 5.061) 7.671 8.667 ( -0.435 1.780 2.543) 3.135 8.709 ( -2.845 3.935 2.478) 5.452 9.057 ( 1.718 5.004 4.328) 6.835 9.126 ( -1.501 0.228 3.817) 4.108 9.291 ( 2.535 3.827 -5.693) 7.313 9.369 ( -2.107 -2.838 -1.405) 3.804 9.556 ( -3.890 -4.526 6.064) 8.508 9.623 ( 0.200 -8.106 -0.211) 8.111 9.658 ( 1.123 -7.692 2.297) 8.106 10.086 ( 2.612 -6.017 -1.532) 6.736 10.214 ( -2.157 -14.729 -2.112) 15.035 10.378 ( 1.483 -16.897 -2.108) 17.093 10.752 ( 3.069 -10.241 -1.335) 10.774 10.833 ( 3.436 -7.548 -3.486) 8.996 11.054 ( 4.581 -6.265 -3.824) 8.652 11.117 ( 1.877 -4.919 -3.419) 6.277 19.993 ( -1.974 0.896 3.558) 4.166 20.140 ( -0.835 -4.212 2.284) 4.864 20.297 ( 0.881 0.467 -3.367) 3.511 20.358 ( 0.145 -1.114 -0.497) 1.228 20.748 ( 3.931 3.088 2.294) 5.500 20.929 ( 7.784 6.705 2.023) 10.471 21.094 ( -4.317 -3.388 1.006) 5.579 21.297 ( 0.995 -0.146 -3.914) 4.041 21.519 ( -4.266 7.779 4.216) 9.823 21.880 ( 0.877 10.860 -4.465) 11.774 22.131 ( -0.504 -13.055 4.175) 13.716 22.460 ( 0.924 -6.450 -1.978) 6.810 22.847 ( 3.785 9.940 0.170) 10.637 22.925 ( -1.865 8.847 1.425) 9.153 23.006 ( -3.502 12.947 1.152) 13.462 23.360 ( 0.044 -0.925 -5.375) 5.454 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.040 3.364 5.584) 6.602 1.485 ( -2.741 6.149 5.339) 8.593 1.529 ( -1.465 3.801 -2.923) 5.014 1.677 ( 3.545 7.180 -4.418) 9.145 1.763 ( 2.365 -0.316 3.436) 4.184 1.891 ( 0.229 2.476 -6.082) 6.571 1.974 ( 2.397 -0.662 -6.774) 7.216 2.089 ( 0.170 -1.434 -6.426) 6.586 2.155 ( -1.681 0.461 -6.081) 6.326 2.169 ( 4.383 -1.090 -0.138) 4.518 2.427 ( 2.291 2.358 -2.180) 3.945 2.465 ( -1.305 8.258 -5.307) 9.902 2.560 ( 2.947 4.569 4.551) 7.090 2.605 ( 1.275 8.157 2.147) 8.531 2.675 ( -4.636 4.362 2.740) 6.930 2.855 ( -1.658 5.403 0.614) 5.685 2.924 ( -2.296 4.095 4.497) 6.501 3.120 ( -4.738 5.908 3.417) 8.308 3.196 ( 1.289 4.916 -0.756) 5.138 3.251 ( 0.092 4.723 4.306) 6.392 3.371 ( 2.028 12.027 0.300) 12.200 3.449 ( -1.470 1.917 2.843) 3.731 3.480 ( 5.990 3.329 -0.008) 6.853 3.650 ( 0.929 3.178 3.428) 4.766 3.938 ( -4.867 1.517 0.605) 5.134 4.017 ( -2.245 1.513 2.926) 3.987 4.178 ( 0.838 0.604 4.663) 4.776 4.255 ( -1.799 -2.508 -0.460) 3.121 4.445 ( -1.446 1.208 3.779) 4.223 4.496 ( 3.947 2.457 -6.156) 7.715 4.582 ( 3.602 2.530 -5.033) 6.686 4.658 ( -1.012 2.363 0.146) 2.575 4.869 ( -1.817 -1.638 0.728) 2.552 5.003 ( -2.349 -1.018 -2.620) 3.663 5.033 ( -1.623 -1.804 3.565) 4.312 5.191 ( 2.893 0.138 1.316) 3.181 5.254 ( -1.252 2.507 0.401) 2.831 5.344 ( -6.590 1.258 -2.886) 7.304 5.413 ( 0.165 1.843 1.304) 2.264 5.507 ( -5.948 -0.622 -3.996) 7.192 5.578 ( -1.894 1.711 -1.763) 3.102 5.615 ( -0.580 3.243 -6.010) 6.854 5.752 ( -8.319 1.542 -3.823) 9.285 5.798 ( 0.139 -4.184 0.122) 4.188 5.881 ( 7.692 0.254 -0.446) 7.709 6.116 ( 8.068 -8.807 0.176) 11.945 6.185 ( -2.691 7.533 -0.601) 8.022 6.375 ( 0.039 3.641 -1.902) 4.108 8.190 ( -0.046 1.862 3.176) 3.682 8.264 ( 4.650 2.035 1.422) 5.271 8.414 ( 1.917 1.808 2.108) 3.374 8.528 ( 4.241 0.339 4.766) 6.389 8.710 ( 1.600 3.195 3.870) 5.267 8.726 ( 1.275 1.956 4.609) 5.167 9.070 ( -3.990 2.066 -0.396) 4.511 9.130 ( -1.600 -0.398 3.803) 4.145 9.326 ( 6.562 3.058 -1.325) 7.360 9.353 ( -0.061 -0.906 1.627) 1.863 9.538 ( -2.939 -1.185 3.030) 4.385 9.644 ( 1.697 -7.821 1.580) 8.158 9.758 ( 5.062 -7.366 5.341) 10.412 10.030 ( -3.343 -3.020 -5.707) 7.271 10.205 ( 0.915 -19.077 -0.733) 19.113 10.331 ( -3.164 -16.343 -3.809) 17.076 10.697 ( -5.728 -9.410 -2.725) 11.348 10.858 ( 0.654 -7.819 -3.419) 8.559 11.031 ( -4.588 -6.807 -4.277) 9.256 11.044 ( -2.394 -6.120 -4.916) 8.207 19.989 ( -1.994 1.020 3.402) 4.073 20.141 ( -1.215 -4.127 2.075) 4.777 20.289 ( 1.025 -0.402 -2.491) 2.724 20.365 ( 1.354 -2.527 -1.074) 3.062 20.783 ( -3.667 3.105 3.133) 5.736 20.914 ( -6.774 4.527 2.200) 8.440 21.164 ( 5.165 2.469 1.040) 5.819 21.327 ( 5.928 2.921 -2.393) 7.028 21.484 ( -3.171 5.122 3.296) 6.867 21.840 ( 0.329 8.989 -4.949) 10.267 22.151 ( -1.993 -13.320 5.023) 14.374 22.441 ( -0.426 -7.095 -2.975) 7.705 22.850 ( -3.808 9.393 0.229) 10.138 22.897 ( -1.801 8.609 0.811) 8.832 23.021 ( 3.228 13.820 1.294) 14.250 23.369 ( 6.787 -0.590 -5.027) 8.466 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -10.447 8.932 -9.078) 16.472 1.406 ( -9.159 7.135 3.458) 12.114 1.535 ( 2.194 4.341 -2.263) 5.365 1.678 ( 2.675 -0.446 -2.595) 3.754 1.817 ( -0.087 -1.252 -3.908) 4.105 1.903 ( 4.423 4.679 3.585) 7.369 1.983 ( -0.742 -3.315 -6.646) 7.464 2.125 ( 8.740 -1.007 2.309) 9.096 2.252 ( 11.431 2.467 -2.627) 11.986 2.297 ( 8.396 1.538 0.585) 8.556 2.386 ( -1.269 16.031 -4.700) 16.754 2.457 ( 1.374 4.292 3.940) 5.987 2.559 ( -5.094 4.135 1.309) 6.691 2.597 ( -0.592 7.829 -0.142) 7.853 2.723 ( 5.429 0.743 2.263) 5.929 2.819 ( -2.008 2.780 -0.564) 3.475 2.956 ( -0.210 7.647 5.291) 9.301 3.043 ( -5.853 9.043 0.795) 10.801 3.206 ( -6.175 -1.997 2.434) 6.931 3.236 ( 3.252 5.055 -1.316) 6.153 3.327 ( -3.524 12.807 0.509) 13.293 3.478 ( -0.175 1.629 -0.153) 1.646 3.605 ( 1.977 -1.353 2.569) 3.513 3.703 ( 2.315 4.724 1.205) 5.397 3.860 ( -3.301 4.390 3.212) 6.363 4.006 ( -2.322 1.648 4.033) 4.937 4.209 ( 0.441 -1.072 1.429) 1.839 4.232 ( -1.300 -1.488 0.845) 2.149 4.427 ( -1.595 0.460 -0.088) 1.662 4.482 ( -0.376 -0.354 -3.889) 3.924 4.586 ( -4.542 7.251 -1.078) 8.624 4.629 ( 2.266 0.789 -3.850) 4.536 4.831 ( -2.442 -1.778 0.657) 3.091 4.901 ( -5.192 -3.237 -1.108) 6.218 5.014 ( -2.042 -1.359 2.116) 3.239 5.164 ( -7.112 -1.534 -4.122) 8.362 5.227 ( -3.983 2.431 3.800) 6.018 5.273 ( 2.036 0.606 -1.490) 2.595 5.324 ( -7.407 0.773 -1.086) 7.526 5.421 ( -4.734 3.484 -1.009) 5.964 5.521 ( 0.431 7.367 -5.033) 8.932 5.561 ( 0.839 4.808 4.394) 6.567 5.670 ( 1.019 -4.109 0.621) 4.279 5.805 ( 1.610 -2.130 -4.139) 4.925 5.954 ( -0.516 -5.758 -2.226) 6.195 6.106 ( -2.576 8.259 -1.109) 8.722 6.350 ( 14.502 -11.019 0.601) 18.223 6.361 ( 0.530 4.524 0.570) 4.590 8.183 ( -1.498 3.280 0.288) 3.617 8.372 ( 5.714 -0.114 0.383) 5.727 8.492 ( 2.901 6.058 3.438) 7.545 8.696 ( 4.431 1.286 4.306) 6.311 8.775 ( 1.001 1.577 2.333) 2.988 8.842 ( 8.445 3.922 3.545) 9.964 8.979 ( -1.365 -1.116 -3.134) 3.595 9.147 ( -0.986 -1.670 4.809) 5.186 9.335 ( 0.341 0.034 -1.452) 1.492 9.480 ( 0.675 3.293 2.881) 4.427 9.542 ( 5.909 3.021 2.648) 7.145 9.701 ( 2.182 -8.863 2.219) 9.393 9.891 ( 2.197 -5.162 -1.484) 5.803 9.946 ( 2.402 -11.650 -1.163) 11.952 10.154 ( -4.779 -16.278 -2.783) 17.192 10.246 ( -2.370 -13.236 -0.632) 13.462 10.522 ( -10.541 -8.775 -1.679) 13.818 10.730 ( -8.604 -5.180 -7.639) 12.618 10.851 ( -8.939 -6.762 -2.964) 11.593 10.988 ( -2.782 -9.707 0.387) 10.105 19.985 ( -1.962 1.266 3.532) 4.234 20.138 ( -1.397 -4.057 2.491) 4.961 20.283 ( 0.580 -0.825 -1.831) 2.090 20.377 ( 1.217 -4.507 -2.149) 5.139 20.684 ( -7.298 2.316 -0.203) 7.659 20.842 ( -6.088 0.598 6.275) 8.763 21.115 ( -6.984 9.095 -6.424) 13.144 21.439 ( 1.187 5.297 4.372) 6.970 21.499 ( 5.227 2.407 -1.788) 6.026 21.840 ( 3.870 3.674 -1.437) 5.527 22.162 ( -1.802 -11.547 5.215) 12.797 22.389 ( -1.892 -7.475 -3.526) 8.478 22.787 ( -3.167 7.222 0.132) 7.887 22.830 ( -5.284 6.578 0.657) 8.463 23.126 ( 6.931 16.126 0.028) 17.552 23.512 ( 12.908 3.729 -3.140) 13.798 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -8.782 15.505 -1.414) 17.876 1.234 ( -11.415 14.174 2.754) 18.406 1.510 ( -0.698 3.167 -3.913) 5.082 1.674 ( -3.058 -0.218 -1.609) 3.462 1.821 ( 4.749 -3.735 -3.509) 6.987 1.968 ( 3.587 -4.248 -2.377) 6.047 1.995 ( 1.949 5.659 0.066) 5.986 2.218 ( -6.503 15.711 -3.787) 17.420 2.275 ( 2.009 2.327 -0.970) 3.224 2.336 ( 3.655 8.336 2.311) 9.391 2.447 ( -2.569 4.216 5.190) 7.163 2.507 ( 0.167 9.832 -1.750) 9.988 2.559 ( 3.213 0.117 0.457) 3.247 2.668 ( 10.932 2.409 2.950) 11.577 2.789 ( -0.055 1.844 -1.382) 2.305 2.867 ( 6.532 0.550 1.504) 6.726 2.915 ( -5.833 9.343 1.197) 11.079 3.004 ( -0.315 5.261 2.556) 5.857 3.126 ( -4.734 -2.074 2.060) 5.564 3.227 ( -1.506 10.211 -1.285) 10.401 3.327 ( -0.491 2.174 1.105) 2.488 3.447 ( -0.720 6.892 0.295) 6.936 3.609 ( -1.821 -2.838 4.477) 5.604 3.684 ( -0.255 1.144 -4.331) 4.487 3.929 ( 1.494 8.389 5.650) 10.224 4.017 ( -0.383 3.360 2.514) 4.214 4.187 ( -4.078 1.129 1.369) 4.448 4.221 ( -2.939 -2.161 -0.573) 3.693 4.371 ( -0.906 -1.327 -4.879) 5.137 4.441 ( 0.500 -4.233 -4.025) 5.863 4.497 ( -2.633 5.176 0.488) 5.827 4.615 ( -0.002 2.375 -1.037) 2.591 4.774 ( -4.526 -0.626 1.089) 4.697 4.868 ( 0.882 -3.628 1.196) 3.920 4.999 ( -3.513 -0.944 3.184) 4.834 5.017 ( -5.496 -2.628 -2.015) 6.417 5.135 ( -6.348 -0.453 -0.850) 6.420 5.223 ( -3.285 0.227 -1.566) 3.646 5.254 ( -1.434 3.817 0.551) 4.114 5.345 ( -3.391 5.934 0.631) 6.864 5.527 ( 3.646 4.728 -2.131) 6.339 5.638 ( -3.794 1.292 1.859) 4.418 5.717 ( 1.685 -1.726 1.172) 2.682 5.791 ( 5.473 1.142 -1.823) 5.880 5.923 ( 2.746 -4.086 -2.192) 5.389 6.118 ( 4.230 5.288 -0.582) 6.797 6.336 ( -2.003 2.727 -1.453) 3.682 6.617 ( 12.622 -12.404 -1.499) 17.760 8.172 ( 0.349 4.600 0.389) 4.630 8.476 ( 3.022 -1.519 1.569) 3.728 8.550 ( 0.829 7.986 3.581) 8.791 8.735 ( -1.041 -2.769 2.336) 3.770 8.757 ( -4.007 1.387 1.204) 4.408 8.939 ( 2.080 1.021 -1.413) 2.714 9.051 ( 3.911 -1.587 -1.084) 4.358 9.210 ( 5.401 7.217 3.359) 9.620 9.343 ( 1.055 0.185 -0.765) 1.316 9.485 ( 1.880 3.318 -2.028) 4.319 9.657 ( 1.293 0.735 2.657) 3.045 9.741 ( -1.729 -11.824 2.365) 12.181 9.848 ( 1.194 -10.991 -7.659) 13.450 10.022 ( 1.303 -8.482 2.841) 9.039 10.103 ( 4.707 -10.822 -3.533) 12.319 10.227 ( -2.672 -10.593 5.010) 12.019 10.316 ( -9.563 -9.671 -1.265) 13.660 10.504 ( -7.348 -6.050 -4.296) 10.443 10.690 ( -6.224 -3.034 0.773) 6.967 10.914 ( -6.350 -10.186 0.265) 12.006 19.983 ( -2.187 1.439 3.821) 4.631 20.139 ( -1.600 -4.024 3.492) 5.563 20.282 ( 0.891 -0.808 -0.750) 1.417 20.359 ( -0.798 -5.013 -2.367) 5.601 20.558 ( -5.276 1.485 -1.273) 5.627 20.743 ( -10.494 -6.130 -2.110) 12.335 20.906 ( -8.305 11.950 0.028) 14.553 21.409 ( -3.887 -1.358 -1.323) 4.325 21.596 ( 3.146 7.719 2.228) 8.628 21.939 ( 6.598 0.258 -0.876) 6.660 22.170 ( -1.774 -7.160 1.817) 7.597 22.332 ( -0.918 -7.209 -0.738) 7.305 22.730 ( -2.832 6.391 -1.024) 7.065 22.756 ( -3.645 5.758 1.992) 7.101 23.253 ( 6.602 17.814 0.074) 18.998 23.765 ( 18.189 5.718 -4.385) 19.565 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -4.804 20.241 7.780) 22.210 1.080 ( -9.163 20.066 5.841) 22.820 1.480 ( -0.285 2.079 1.723) 2.715 1.542 ( -7.453 -0.031 -2.288) 7.797 1.898 ( -0.407 2.266 1.804) 2.925 1.948 ( -3.542 14.584 3.327) 15.372 2.010 ( 3.630 1.313 -3.408) 5.149 2.099 ( -1.509 3.741 0.476) 4.062 2.271 ( 3.809 0.071 -7.132) 8.086 2.381 ( -1.716 9.387 -7.231) 11.973 2.465 ( 1.129 5.264 6.352) 8.327 2.535 ( 2.399 3.546 4.828) 6.453 2.628 ( 0.379 -0.610 2.961) 3.047 2.781 ( 0.515 -0.840 -1.791) 2.044 2.834 ( 0.691 6.398 -0.294) 6.442 2.858 ( 2.199 2.321 2.976) 4.367 2.948 ( 1.517 -0.887 -0.196) 1.768 3.027 ( -0.145 2.043 2.415) 3.167 3.105 ( -0.868 0.008 2.060) 2.235 3.216 ( 0.417 9.594 -0.786) 9.636 3.273 ( -1.842 3.375 -0.280) 3.856 3.446 ( -1.117 16.777 0.309) 16.817 3.665 ( 1.874 1.524 -3.869) 4.561 3.695 ( 4.566 -6.995 4.880) 9.675 3.890 ( -7.092 7.480 -0.559) 10.323 4.011 ( -1.700 4.895 -4.736) 7.020 4.110 ( -3.794 0.735 2.873) 4.816 4.152 ( -2.125 1.939 2.729) 3.965 4.302 ( -1.904 0.874 -5.870) 6.233 4.433 ( 0.861 -2.179 -0.573) 2.412 4.511 ( 2.648 1.215 0.319) 2.930 4.666 ( 4.372 -0.048 1.000) 4.485 4.722 ( -1.327 -0.131 1.266) 1.839 4.894 ( -5.893 -3.406 -0.660) 6.838 4.902 ( 0.419 -2.228 0.051) 2.267 4.941 ( -4.519 -1.354 0.430) 4.737 5.024 ( -4.631 1.522 0.454) 4.895 5.161 ( -2.399 -3.719 -1.763) 4.764 5.258 ( -1.144 2.341 2.696) 3.749 5.312 ( 0.630 4.389 0.769) 4.500 5.517 ( -6.566 3.088 -0.322) 7.263 5.560 ( 0.048 3.818 0.455) 3.846 5.762 ( 2.210 0.324 -1.243) 2.556 5.866 ( 3.425 5.612 -3.122) 7.279 6.033 ( 9.217 -6.551 -0.267) 11.311 6.227 ( 6.503 2.468 -1.501) 7.116 6.273 ( -1.884 4.986 -1.462) 5.527 6.761 ( 7.323 -16.031 -5.816) 18.559 8.200 ( 1.020 4.341 1.917) 4.854 8.440 ( -5.217 4.090 0.178) 6.631 8.622 ( -1.358 -2.669 5.207) 6.007 8.688 ( -4.505 -1.741 1.797) 5.154 8.756 ( 1.588 1.331 2.035) 2.904 8.939 ( 1.662 -3.399 -1.378) 4.026 9.093 ( 3.576 -0.571 -0.538) 3.661 9.318 ( 0.605 9.039 2.488) 9.394 9.347 ( 1.689 4.226 0.232) 4.557 9.499 ( 2.165 -0.042 -3.250) 3.905 9.623 ( -9.062 -12.088 1.542) 15.186 9.739 ( 3.435 -0.184 4.074) 5.332 9.827 ( 0.620 -0.174 -2.440) 2.524 10.056 ( 1.594 -11.582 -0.852) 11.722 10.086 ( -6.956 -7.513 0.097) 10.239 10.210 ( -5.631 -17.025 3.221) 18.219 10.260 ( 8.951 -5.286 -3.287) 10.903 10.452 ( 4.750 -7.207 -3.876) 9.462 10.652 ( -3.093 -3.523 1.853) 5.041 10.770 ( -6.837 -8.981 -2.024) 11.468 19.975 ( -2.437 1.450 3.629) 4.605 20.136 ( -3.102 -4.582 3.596) 6.600 20.310 ( 2.023 -1.029 0.711) 2.379 20.323 ( -1.762 -2.318 1.338) 3.205 20.463 ( -9.842 -0.007 -5.828) 11.438 20.487 ( -2.177 -0.884 -0.524) 2.407 20.817 ( -5.494 6.420 2.733) 8.881 21.312 ( -3.198 -5.914 -4.326) 7.994 21.655 ( 0.218 8.387 4.675) 9.605 21.997 ( 0.716 -1.685 -1.100) 2.135 22.167 ( 2.396 -0.529 -1.256) 2.757 22.339 ( -0.080 -6.603 1.315) 6.733 22.685 ( -1.203 6.519 -0.300) 6.636 22.722 ( -2.215 5.238 1.563) 5.898 23.354 ( 3.867 19.064 0.741) 19.466 24.032 ( 16.965 2.426 -11.942) 20.888 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.911 16.582 6.564) 17.857 1.433 ( -0.326 19.300 4.733) 19.875 1.493 ( 1.837 0.975 4.174) 4.663 1.575 ( 3.449 1.057 5.221) 6.346 1.728 ( -0.608 -13.787 1.655) 13.899 1.784 ( -1.004 -16.248 2.983) 16.550 2.158 ( 4.436 4.853 -8.590) 10.817 2.244 ( 2.983 -3.865 -7.790) 9.194 2.395 ( 1.645 10.830 -0.845) 10.987 2.453 ( -0.660 5.640 -0.604) 5.710 2.564 ( -2.157 1.205 3.199) 4.042 2.603 ( -1.313 0.501 3.087) 3.392 2.694 ( -2.058 3.865 3.384) 5.534 2.752 ( 0.044 -1.565 0.437) 1.625 2.904 ( -0.776 3.469 2.946) 4.617 2.932 ( 1.466 -0.759 1.800) 2.442 2.987 ( 1.024 4.123 -2.826) 5.102 3.008 ( -2.665 0.907 0.845) 2.939 3.064 ( -2.124 4.791 0.553) 5.270 3.272 ( -2.468 -5.603 -4.209) 7.430 3.426 ( -2.930 4.351 0.785) 5.304 3.485 ( -2.501 -6.355 0.719) 6.867 3.725 ( 0.773 9.082 -1.128) 9.184 3.783 ( 5.503 3.834 -5.132) 8.445 3.947 ( 0.095 6.042 0.387) 6.055 4.016 ( 2.033 -1.030 -0.713) 2.388 4.129 ( -3.910 1.148 1.638) 4.392 4.161 ( -1.631 -1.069 3.545) 4.046 4.320 ( 2.450 2.611 -0.917) 3.696 4.370 ( 1.521 -3.017 -1.963) 3.908 4.619 ( -0.312 4.112 0.035) 4.124 4.669 ( -0.159 -1.948 -0.184) 1.964 4.782 ( -0.676 1.286 -3.241) 3.551 4.803 ( 3.702 -1.686 -0.590) 4.110 4.834 ( -1.697 3.317 0.063) 3.727 4.903 ( 1.017 -3.327 -0.597) 3.530 5.000 ( -2.120 0.195 1.740) 2.750 5.028 ( -3.772 -1.496 2.562) 4.799 5.313 ( 0.195 3.935 4.464) 5.954 5.380 ( 1.649 -1.903 4.405) 5.074 5.528 ( -0.963 2.797 -0.813) 3.068 5.559 ( -2.760 0.070 -0.442) 2.796 5.841 ( 2.804 6.535 -3.146) 7.776 5.984 ( 2.671 -4.232 -2.297) 5.507 6.073 ( 0.586 9.353 -2.548) 9.712 6.323 ( 0.792 2.421 -2.520) 3.583 6.341 ( 2.320 0.784 -2.180) 3.279 6.419 ( 0.515 -19.333 -5.500) 20.107 8.301 ( -2.263 6.061 2.061) 6.790 8.419 ( -2.530 -4.352 1.937) 5.394 8.510 ( -1.343 3.150 0.693) 3.494 8.614 ( -1.565 -4.652 0.021) 4.909 8.806 ( -0.578 2.780 3.839) 4.775 8.900 ( 0.892 -6.250 4.349) 7.667 9.178 ( -0.765 6.892 -0.837) 6.984 9.340 ( -0.575 -7.381 0.732) 7.439 9.410 ( 2.389 3.925 -0.466) 4.618 9.547 ( 1.751 -9.154 -1.703) 9.475 9.599 ( 2.331 4.427 2.060) 5.411 9.669 ( -4.863 3.118 -0.450) 5.794 9.772 ( 3.519 -5.490 3.020) 7.186 9.829 ( -0.984 -5.120 1.495) 5.423 9.982 ( -0.353 2.445 2.837) 3.762 10.129 ( -0.534 -2.535 -2.747) 3.776 10.232 ( 3.660 -5.122 -2.547) 6.791 10.327 ( 4.165 -6.680 -7.708) 11.017 10.505 ( -3.771 0.339 0.372) 3.805 10.541 ( -3.225 -3.775 -1.658) 5.234 19.995 ( -2.397 1.903 3.346) 4.535 20.035 ( -2.988 -2.383 3.373) 5.097 20.301 ( -0.069 0.611 -0.814) 1.020 20.311 ( 0.180 -0.495 -0.864) 1.011 20.462 ( 4.442 1.145 2.402) 5.178 20.490 ( 3.932 -1.873 3.342) 5.490 20.875 ( -2.085 9.199 -2.685) 9.807 21.061 ( -0.691 -10.142 -5.341) 11.483 21.836 ( -0.789 7.035 4.511) 8.394 21.953 ( 0.170 -5.216 3.356) 6.205 22.199 ( 0.285 1.362 -2.586) 2.936 22.241 ( -0.180 -3.281 -1.844) 3.768 22.774 ( 0.125 3.109 0.359) 3.132 22.782 ( -0.333 2.251 0.463) 2.322 23.748 ( 0.242 16.772 -1.245) 16.820 23.995 ( 1.041 -9.245 -7.899) 12.204 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.335 15.016 6.983) 16.724 1.516 ( 2.949 15.777 6.653) 17.374 1.632 ( 5.922 -2.362 5.530) 8.440 1.694 ( 3.668 -1.388 2.187) 4.490 1.762 ( 2.305 -6.507 2.682) 7.406 1.819 ( 2.974 -13.295 1.380) 13.693 2.111 ( -0.945 3.561 -9.071) 9.791 2.175 ( -1.747 -2.800 -9.074) 9.655 2.397 ( -2.164 4.950 -0.674) 5.444 2.437 ( -1.731 2.529 0.161) 3.069 2.557 ( -0.680 3.548 1.279) 3.832 2.602 ( -0.672 0.517 2.053) 2.221 2.687 ( -0.674 2.990 0.019) 3.065 2.730 ( -2.497 0.016 -0.138) 2.501 2.929 ( -0.641 3.339 1.158) 3.591 2.959 ( -2.162 6.507 -1.590) 7.038 2.974 ( 0.505 -0.603 2.114) 2.255 3.013 ( 0.184 -0.867 3.028) 3.155 3.037 ( 0.039 6.763 2.902) 7.360 3.201 ( -0.153 -4.646 -2.386) 5.225 3.381 ( -0.732 4.843 2.449) 5.476 3.471 ( 0.969 -5.594 3.008) 6.425 3.701 ( -1.525 10.192 -2.574) 10.622 3.796 ( 2.826 1.431 -6.807) 7.508 3.947 ( -4.226 5.077 2.315) 7.000 4.049 ( -4.593 -3.128 0.038) 5.557 4.096 ( 3.903 3.260 -1.216) 5.228 4.152 ( 1.244 -0.779 -0.121) 1.473 4.386 ( 3.580 3.192 0.833) 4.868 4.427 ( 3.919 -1.815 1.137) 4.466 4.584 ( -1.018 2.424 -0.059) 2.629 4.620 ( -1.141 -0.893 -2.395) 2.799 4.808 ( 1.149 1.346 -0.027) 1.770 4.816 ( -0.091 1.750 0.972) 2.004 4.877 ( 3.163 1.031 -1.641) 3.710 4.902 ( 2.033 0.150 1.383) 2.463 5.002 ( 0.321 -2.991 -2.930) 4.199 5.016 ( 4.129 -5.478 -0.967) 6.927 5.376 ( -0.227 3.991 8.020) 8.961 5.435 ( -1.103 -0.628 6.547) 6.669 5.567 ( 7.263 4.151 -2.174) 8.644 5.634 ( 9.504 -1.779 0.761) 9.699 5.811 ( -3.281 8.556 -2.560) 9.514 5.932 ( -2.891 12.432 -7.295) 14.702 6.010 ( -6.359 -8.980 2.697) 11.329 6.248 ( -4.920 -8.820 -4.279) 10.968 6.328 ( 0.252 1.138 -4.518) 4.666 6.373 ( -1.623 -6.586 -3.238) 7.516 8.281 ( -1.796 6.180 2.602) 6.941 8.394 ( -2.001 -4.326 1.494) 4.995 8.561 ( 4.831 2.443 2.022) 5.779 8.628 ( 2.126 -3.368 -0.008) 3.983 8.828 ( -1.216 4.378 5.222) 6.922 8.949 ( 0.231 -6.701 3.555) 7.589 9.116 ( -5.027 6.408 -1.734) 8.327 9.307 ( -4.362 -11.832 -5.430) 13.730 9.439 ( 0.581 2.853 -0.461) 2.948 9.507 ( -4.910 -1.517 -1.553) 5.369 9.598 ( 0.243 4.069 -0.128) 4.079 9.654 ( -0.941 1.275 4.123) 4.417 9.806 ( -0.047 -1.938 -0.529) 2.010 9.906 ( 4.092 -9.490 0.233) 10.337 9.949 ( -4.888 -2.633 -0.033) 5.552 10.009 ( -6.887 -5.533 -0.562) 8.852 10.287 ( 2.187 0.028 -1.774) 2.816 10.335 ( 9.387 -4.990 -0.056) 10.631 10.531 ( 6.654 1.185 0.154) 6.761 10.582 ( 6.444 -4.466 -1.427) 7.969 19.991 ( -1.203 1.703 2.999) 3.652 20.027 ( -1.046 -2.148 2.749) 3.642 20.310 ( 1.262 1.158 0.247) 1.730 20.336 ( 2.447 -1.596 1.005) 3.089 20.544 ( 1.801 1.974 0.187) 2.678 20.583 ( 2.539 -1.813 -0.440) 3.151 20.919 ( 9.284 6.827 -0.049) 11.524 21.068 ( 8.020 -8.396 -6.230) 13.177 21.843 ( -3.958 6.799 4.845) 9.239 21.969 ( -3.292 -6.689 3.747) 8.343 22.150 ( -1.566 3.305 -3.152) 4.829 22.224 ( 0.973 -4.561 -1.372) 4.861 22.791 ( 1.330 3.188 0.281) 3.465 22.801 ( 1.914 2.108 0.765) 2.948 23.689 ( -5.479 13.988 -0.715) 15.040 23.866 ( -6.334 -4.623 -7.362) 10.756 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.365 11.009 6.191) 12.704 1.633 ( 1.973 6.405 8.124) 10.532 1.737 ( 0.894 -5.083 0.106) 5.162 1.782 ( 3.650 -3.054 4.287) 6.406 1.812 ( 1.606 4.797 0.519) 5.085 1.900 ( 4.714 -4.259 -2.513) 6.832 1.957 ( -6.173 1.928 -7.086) 9.594 2.041 ( -2.002 -4.612 -5.935) 7.778 2.352 ( -0.523 5.041 -0.959) 5.158 2.390 ( -1.311 1.116 -4.547) 4.862 2.519 ( -5.323 2.050 -1.583) 5.920 2.584 ( -5.055 -2.864 3.363) 6.713 2.657 ( -1.865 0.855 -0.676) 2.160 2.679 ( -3.036 -0.694 1.018) 3.276 2.888 ( -2.351 6.991 -1.426) 7.513 2.909 ( -2.258 2.476 1.474) 3.661 2.993 ( -0.481 -0.879 0.889) 1.340 3.005 ( -1.686 -0.115 2.989) 3.434 3.137 ( 4.593 8.118 4.125) 10.199 3.241 ( 4.127 -1.234 1.072) 4.439 3.467 ( 5.380 6.538 3.226) 9.061 3.567 ( 3.018 -2.399 2.489) 4.589 3.630 ( -2.386 8.659 -2.242) 9.258 3.749 ( -3.739 -3.342 -3.090) 5.890 3.903 ( 0.019 5.031 0.687) 5.078 3.974 ( -2.451 -1.788 0.605) 3.094 4.126 ( 0.863 3.407 0.122) 3.517 4.169 ( -0.198 -0.826 0.294) 0.899 4.446 ( 4.165 4.647 -2.657) 6.782 4.494 ( 4.345 -1.279 -1.618) 4.809 4.583 ( 0.383 3.763 -4.081) 5.564 4.629 ( 1.600 -1.399 2.537) 3.309 4.817 ( 1.208 0.521 -0.548) 1.425 4.833 ( 2.141 -0.353 0.245) 2.184 4.886 ( 2.310 1.659 -1.684) 3.305 4.994 ( 5.084 -6.817 -3.155) 9.070 5.062 ( 8.764 2.737 1.076) 9.244 5.137 ( 8.643 -4.555 1.220) 9.846 5.446 ( -0.723 2.898 7.288) 7.876 5.459 ( -2.205 1.633 4.729) 5.468 5.671 ( -3.052 5.270 -3.075) 6.822 5.732 ( 3.428 4.897 3.137) 6.751 5.789 ( 3.531 5.672 -1.409) 6.829 5.834 ( 0.526 5.703 -4.991) 7.597 5.938 ( -2.180 -10.389 4.394) 11.489 6.112 ( -5.042 -15.730 -6.309) 17.682 6.256 ( -1.252 6.466 -3.831) 7.619 6.334 ( 0.619 -0.627 -2.282) 2.446 8.277 ( -2.324 5.766 3.467) 7.119 8.371 ( -2.415 -3.305 1.896) 4.511 8.672 ( 0.995 2.110 2.992) 3.794 8.686 ( 3.228 1.677 5.786) 6.834 8.842 ( -5.373 5.596 0.587) 7.780 8.922 ( -3.228 5.984 -3.519) 7.656 9.012 ( -9.776 -10.204 0.217) 14.132 9.048 ( -6.499 -6.059 -3.913) 9.709 9.390 ( -4.524 2.756 -2.176) 5.726 9.431 ( -1.121 -3.285 -1.511) 3.785 9.553 ( -3.618 -0.910 -0.463) 3.760 9.665 ( -6.626 -9.988 -3.394) 12.457 9.731 ( -1.612 6.750 -1.114) 7.029 9.817 ( -1.307 -3.058 -4.221) 5.373 9.979 ( 1.828 -6.600 3.725) 7.796 10.034 ( 4.538 -11.402 3.726) 12.825 10.412 ( 8.673 5.844 1.597) 10.579 10.540 ( 11.568 -7.243 -1.243) 13.705 10.695 ( 8.314 -0.741 1.447) 8.472 10.724 ( 11.271 -3.323 1.155) 11.807 20.004 ( -0.737 1.629 3.090) 3.570 20.042 ( -0.303 -2.525 2.655) 3.676 20.342 ( 0.922 1.753 1.132) 2.281 20.379 ( -0.162 -2.129 0.927) 2.328 20.576 ( 6.201 2.193 -3.116) 7.278 20.607 ( 3.636 -0.873 -3.392) 5.049 21.121 ( 10.126 3.716 -0.389) 10.794 21.201 ( 10.787 -4.253 -5.902) 13.011 21.776 ( -7.914 5.892 5.360) 11.228 21.897 ( -7.429 -7.097 4.662) 11.283 22.119 ( 0.905 6.434 -2.583) 6.992 22.254 ( 2.713 -7.767 -0.764) 8.262 22.834 ( 3.225 4.231 0.221) 5.325 22.863 ( 3.864 1.104 1.014) 4.145 23.548 ( -8.996 11.325 -0.574) 14.475 23.666 ( -8.873 -1.325 -4.451) 10.015 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -4.375 4.925 2.504) 7.048 1.593 ( -9.411 -1.032 2.611) 9.821 1.722 ( -4.451 3.858 -4.490) 7.407 1.736 ( -6.523 2.651 -0.773) 7.084 1.870 ( 7.948 1.892 -1.399) 8.289 1.939 ( 6.434 3.140 -2.163) 7.479 1.969 ( 4.784 -2.818 1.608) 5.780 2.055 ( 1.943 -3.879 -0.833) 4.417 2.319 ( -2.662 1.239 0.442) 2.969 2.334 ( -3.336 -0.701 -3.336) 4.770 2.384 ( -2.773 6.664 0.594) 7.242 2.501 ( -7.421 -5.629 1.593) 9.449 2.612 ( -1.246 2.715 -0.175) 2.992 2.659 ( -0.594 -1.345 1.423) 2.046 2.851 ( 0.044 5.885 -1.860) 6.172 2.893 ( -0.539 0.167 1.435) 1.542 3.000 ( -0.136 -0.277 1.750) 1.777 3.007 ( -1.559 -0.207 2.664) 3.094 3.247 ( 3.636 7.943 1.897) 8.939 3.322 ( 2.077 1.088 1.149) 2.611 3.508 ( -3.721 4.712 -0.030) 6.004 3.545 ( -0.924 1.301 -2.615) 3.063 3.627 ( -2.750 2.679 -0.689) 3.901 3.636 ( -0.651 2.389 -1.627) 2.963 3.959 ( 1.705 0.854 5.865) 6.167 3.973 ( -0.164 -0.327 3.018) 3.040 4.176 ( 3.597 1.084 1.949) 4.232 4.186 ( 1.201 0.952 1.455) 2.113 4.468 ( 1.249 7.795 -4.143) 8.916 4.539 ( 3.596 0.215 -6.989) 7.863 4.566 ( 2.269 2.773 -0.989) 3.717 4.654 ( -0.468 -4.690 0.747) 4.772 4.852 ( 2.836 1.053 -1.005) 3.188 4.884 ( 3.929 -1.599 -0.614) 4.286 4.962 ( 5.287 2.156 0.017) 5.710 5.060 ( 4.968 -6.878 -2.075) 8.735 5.233 ( 7.173 5.052 1.631) 8.924 5.325 ( 8.783 -2.892 2.229) 9.511 5.435 ( -2.273 5.610 1.140) 6.160 5.501 ( 0.626 -0.185 3.896) 3.950 5.582 ( -0.568 3.799 -2.131) 4.393 5.723 ( -2.450 -8.392 -0.315) 8.748 5.778 ( -2.000 5.203 -1.893) 5.887 5.881 ( -1.889 -0.422 -2.049) 2.818 5.931 ( 1.093 -1.058 -1.815) 2.368 6.031 ( -1.155 -7.500 2.046) 7.859 6.258 ( 5.047 9.364 -1.979) 10.820 6.373 ( 5.140 -1.685 -1.487) 5.610 8.244 ( -4.344 5.428 1.710) 7.159 8.329 ( -5.002 -2.682 2.108) 6.055 8.577 ( -14.894 1.906 -2.919) 15.296 8.597 ( -12.946 -0.441 2.007) 13.108 8.739 ( -0.822 5.446 2.078) 5.886 8.797 ( -1.197 0.435 3.979) 4.178 9.029 ( 4.453 -0.355 3.318) 5.565 9.063 ( 1.123 -3.325 3.642) 5.058 9.315 ( -1.432 1.020 -0.854) 1.954 9.398 ( -0.182 -6.975 -1.513) 7.140 9.486 ( -3.920 -0.918 -1.398) 4.263 9.522 ( -4.259 -2.667 -0.719) 5.077 9.650 ( -3.207 3.282 -2.860) 5.407 9.794 ( 2.569 -11.599 -5.914) 13.271 10.079 ( 3.392 -4.115 3.036) 6.136 10.123 ( 1.867 -7.775 1.745) 8.185 10.570 ( 7.258 2.736 0.172) 7.759 10.668 ( 5.282 -7.071 -2.724) 9.236 10.879 ( 9.959 0.726 -0.776) 10.016 10.935 ( 9.309 -4.571 0.157) 10.371 20.016 ( -1.164 1.760 3.089) 3.741 20.060 ( -0.569 -2.951 2.650) 4.007 20.341 ( -0.480 1.014 -2.110) 2.390 20.358 ( -0.795 -0.689 -1.244) 1.629 20.691 ( 7.677 2.685 -0.369) 8.141 20.731 ( 10.460 -1.170 1.619) 10.649 21.206 ( 0.970 3.891 -3.678) 5.441 21.281 ( 3.002 -3.374 -5.435) 7.067 21.702 ( -5.595 7.302 6.585) 11.313 21.853 ( -2.289 -8.605 6.231) 10.868 22.111 ( 0.657 8.308 -3.077) 8.884 22.287 ( 2.127 -9.760 -2.003) 10.188 22.910 ( 4.855 5.252 0.173) 7.154 22.952 ( 4.793 0.762 0.859) 4.929 23.371 ( -9.157 10.206 -0.930) 13.743 23.477 ( -8.328 -1.336 -2.290) 8.740 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -5.274 3.148 5.260) 8.087 1.504 ( -3.607 -1.953 4.020) 5.743 1.621 ( -1.766 5.586 -1.444) 6.034 1.677 ( 0.509 0.768 0.598) 1.099 1.908 ( 2.121 6.217 -8.009) 10.359 2.005 ( 1.794 3.102 -5.979) 6.971 2.018 ( 0.573 -3.789 -5.471) 6.680 2.063 ( 2.823 -3.373 -0.823) 4.475 2.190 ( -8.071 3.419 -0.152) 8.766 2.274 ( -8.967 -5.152 -0.278) 10.345 2.412 ( 4.560 1.272 -2.322) 5.273 2.419 ( 2.766 -0.158 1.059) 2.966 2.626 ( 0.897 3.952 1.613) 4.362 2.665 ( -0.949 0.533 2.278) 2.524 2.850 ( 0.253 6.399 -1.933) 6.690 2.919 ( 0.903 -1.249 0.346) 1.580 2.979 ( -3.058 2.757 4.273) 5.934 3.046 ( 2.107 -4.742 4.042) 6.577 3.269 ( -0.914 4.377 -0.904) 4.562 3.340 ( 0.126 -2.425 -1.125) 2.676 3.427 ( -3.342 7.571 1.370) 8.389 3.498 ( 1.410 2.444 0.467) 2.860 3.635 ( -0.518 5.457 2.639) 6.083 3.655 ( 2.215 3.182 1.968) 4.348 3.993 ( -0.951 1.630 2.858) 3.425 4.037 ( -0.442 -2.077 4.389) 4.875 4.191 ( -2.037 4.546 2.522) 5.583 4.252 ( 0.990 -1.575 1.684) 2.510 4.468 ( 2.368 7.080 -0.350) 7.474 4.540 ( 3.810 1.160 -6.937) 7.999 4.584 ( 1.541 0.343 -3.249) 3.613 4.642 ( -0.440 -5.354 -0.521) 5.397 4.890 ( 1.982 3.347 -0.218) 3.896 4.956 ( 2.936 -2.568 1.954) 4.362 5.031 ( 2.007 3.071 0.646) 3.725 5.127 ( 2.504 -6.014 -0.419) 6.528 5.335 ( 3.354 6.937 0.069) 7.706 5.384 ( -1.065 5.149 0.751) 5.311 5.464 ( 2.095 -1.201 -0.301) 2.434 5.521 ( -1.734 -4.736 -0.024) 5.043 5.611 ( 4.510 2.308 -1.535) 5.294 5.687 ( -3.409 -4.144 -3.605) 6.465 5.741 ( 1.680 0.039 -2.537) 3.043 5.794 ( 1.743 -3.237 -1.985) 4.178 5.924 ( -3.716 1.545 -2.662) 4.825 5.969 ( -4.887 -3.145 0.090) 5.812 6.356 ( 4.335 7.868 -1.851) 9.172 6.436 ( 2.948 0.211 -2.768) 4.050 8.185 ( -1.660 2.862 2.198) 3.972 8.233 ( -3.710 -1.902 0.794) 4.244 8.416 ( -3.697 2.388 4.302) 6.154 8.472 ( -6.241 -3.383 6.585) 9.682 8.736 ( -1.234 4.623 2.308) 5.313 8.779 ( -2.939 1.274 2.369) 3.984 9.114 ( 0.236 0.728 4.130) 4.201 9.130 ( 0.277 -0.293 3.853) 3.874 9.321 ( 1.257 0.957 1.372) 2.092 9.392 ( -0.650 5.116 -4.023) 6.541 9.418 ( 0.191 -8.182 3.602) 8.942 9.489 ( -1.134 -5.681 1.892) 6.094 9.609 ( 1.169 3.857 -1.071) 4.170 9.810 ( 5.031 -16.057 -5.039) 17.565 10.097 ( -2.851 -1.953 -0.598) 3.507 10.141 ( -0.040 -7.479 -1.508) 7.629 10.661 ( 2.546 -0.159 -1.183) 2.812 10.711 ( 2.624 -5.046 -2.291) 6.131 10.985 ( 3.880 -0.545 -4.379) 5.876 11.027 ( 2.496 -4.260 -4.192) 6.477 20.020 ( -1.494 2.026 2.915) 3.852 20.069 ( -1.041 -3.289 2.534) 4.280 20.312 ( 0.350 1.088 -3.292) 3.484 20.335 ( 0.112 -1.315 -2.229) 2.591 20.837 ( 4.626 5.942 3.892) 8.477 20.946 ( 7.736 -4.855 4.576) 10.215 21.135 ( -2.497 7.121 -2.015) 7.811 21.253 ( 1.143 -4.608 -3.010) 5.622 21.677 ( -4.120 9.524 4.531) 11.323 21.884 ( -2.172 -12.562 4.772) 13.612 22.085 ( 0.893 11.024 -4.477) 11.932 22.292 ( 1.257 -10.749 -3.536) 11.385 23.001 ( 4.163 5.620 0.309) 7.001 23.034 ( 2.184 2.232 0.844) 3.235 23.225 ( -4.757 9.379 -0.785) 10.546 23.336 ( -3.803 -2.765 -2.566) 5.357 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.672 2.738 6.145) 6.761 1.517 ( -1.252 -1.066 4.675) 4.956 1.621 ( 0.618 5.285 -0.274) 5.328 1.701 ( -2.375 -3.124 -3.655) 5.363 1.873 ( 5.037 8.306 -1.262) 9.795 1.939 ( -4.199 3.015 -5.766) 7.744 1.956 ( 2.348 -1.565 -5.797) 6.447 2.033 ( -2.947 -5.163 -6.086) 8.508 2.134 ( 3.638 0.272 -3.168) 4.832 2.156 ( 4.412 -1.417 -2.808) 5.418 2.470 ( 2.586 2.077 -0.424) 3.344 2.500 ( 3.264 -0.981 0.024) 3.408 2.646 ( -0.302 3.084 3.913) 4.991 2.681 ( -0.361 0.142 3.091) 3.115 2.804 ( -2.433 7.278 -2.388) 8.037 2.891 ( -1.554 -1.435 -1.884) 2.832 3.012 ( -0.383 4.796 6.047) 7.727 3.101 ( -1.710 -4.844 5.529) 7.547 3.274 ( 2.472 3.560 -1.911) 4.736 3.304 ( -1.252 0.016 -1.468) 1.929 3.484 ( 2.749 5.680 2.606) 6.827 3.558 ( 2.546 0.373 1.961) 3.235 3.630 ( -1.668 9.316 1.869) 9.647 3.704 ( -0.114 0.726 2.647) 2.747 3.973 ( -3.642 3.885 3.755) 6.516 4.036 ( -2.140 -1.235 4.327) 4.983 4.188 ( -1.451 2.028 1.969) 3.177 4.233 ( -2.866 -1.479 0.831) 3.330 4.495 ( -0.512 3.284 -2.687) 4.274 4.532 ( 1.094 0.335 -5.244) 5.367 4.599 ( 4.417 1.076 -1.949) 4.946 4.653 ( 2.591 -3.546 -0.807) 4.466 4.913 ( -1.347 5.401 1.609) 5.794 4.993 ( -2.639 -2.190 1.288) 3.664 5.037 ( -2.113 4.169 0.810) 4.743 5.140 ( 0.454 -5.154 -0.093) 5.175 5.345 ( -3.159 5.703 1.150) 6.620 5.374 ( -2.880 2.462 -1.024) 3.925 5.419 ( -1.388 -1.740 0.543) 2.291 5.449 ( -6.156 -4.581 -2.315) 8.015 5.619 ( -0.701 3.361 -1.073) 3.597 5.692 ( -5.684 0.394 -2.533) 6.236 5.710 ( 6.907 -0.039 -2.466) 7.334 5.771 ( -1.855 -1.286 -3.355) 4.043 5.863 ( 2.864 -0.139 -3.483) 4.511 5.943 ( 4.089 -8.266 -2.517) 9.559 6.346 ( -2.018 8.076 -1.546) 8.467 6.428 ( -0.400 0.033 -2.998) 3.025 8.229 ( 1.033 2.305 3.170) 4.053 8.266 ( 2.912 -1.309 2.205) 3.880 8.461 ( 4.243 2.510 5.061) 7.065 8.501 ( 4.270 -2.014 6.640) 8.148 8.775 ( 2.424 2.601 4.706) 5.898 8.784 ( 1.292 2.394 3.197) 4.197 9.083 ( -6.000 0.323 -0.582) 6.037 9.107 ( -3.532 -1.804 2.618) 4.752 9.363 ( 1.424 3.183 0.231) 3.494 9.409 ( 3.289 4.037 1.699) 5.478 9.470 ( 2.221 -6.034 1.134) 6.529 9.498 ( -0.420 -6.649 2.658) 7.173 9.683 ( 4.802 2.499 4.349) 6.945 9.870 ( 3.684 -15.570 -0.124) 16.000 9.990 ( -4.971 0.613 -5.936) 7.767 10.081 ( -3.120 -9.286 -4.518) 10.788 10.631 ( -3.837 1.692 -1.825) 4.573 10.719 ( -0.433 -6.764 -1.956) 7.054 10.939 ( -3.708 -2.028 -5.400) 6.857 10.956 ( -3.744 -3.294 -6.364) 8.085 20.019 ( -1.573 2.200 2.928) 3.986 20.071 ( -1.375 -3.338 2.571) 4.432 20.293 ( 0.845 0.910 -3.184) 3.418 20.321 ( 0.862 -2.021 -2.725) 3.501 20.859 ( -6.117 4.538 3.900) 8.557 20.931 ( -8.646 -2.433 3.555) 9.660 21.265 ( 12.581 6.544 0.438) 14.188 21.343 ( 10.055 -1.450 -1.333) 10.246 21.604 ( -8.490 8.858 3.891) 12.871 21.823 ( -8.233 -12.907 3.790) 15.772 22.080 ( 2.715 8.737 -4.033) 9.999 22.271 ( 0.638 -10.460 -4.440) 11.381 22.995 ( -5.117 5.018 0.112) 7.168 23.014 ( -4.034 3.058 0.293) 5.070 23.242 ( 6.347 9.071 -0.348) 11.076 23.348 ( 7.746 -2.650 -2.180) 8.472 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -6.466 7.419 -3.304) 10.380 1.508 ( -3.082 1.819 2.557) 4.398 1.606 ( 0.598 2.934 -2.654) 4.002 1.655 ( 1.560 -2.043 -1.147) 2.815 1.801 ( -4.312 1.436 -4.707) 6.543 1.885 ( -3.343 -6.153 -6.469) 9.533 1.999 ( 6.125 5.124 1.892) 8.207 2.082 ( 7.920 -3.561 1.844) 8.877 2.285 ( 12.656 1.669 -1.008) 12.806 2.307 ( 11.407 -0.420 -0.499) 11.425 2.521 ( 3.544 2.373 2.360) 4.875 2.530 ( 0.410 1.567 0.904) 1.855 2.692 ( -0.596 2.950 -0.251) 3.020 2.701 ( -0.155 0.762 2.223) 2.355 2.736 ( -0.117 7.480 -0.492) 7.497 2.846 ( -1.285 -1.418 -2.531) 3.173 3.054 ( -0.940 3.201 5.194) 6.173 3.115 ( -2.489 -3.763 5.393) 7.031 3.230 ( -4.997 6.086 0.059) 7.875 3.289 ( 0.791 0.124 -3.004) 3.109 3.478 ( -4.650 6.121 -0.076) 7.687 3.564 ( -2.179 3.318 -1.031) 4.101 3.635 ( -0.286 3.003 0.547) 3.066 3.699 ( -1.260 -3.975 -0.021) 4.170 3.990 ( 0.234 7.741 7.332) 10.664 4.054 ( -1.392 1.162 5.306) 5.607 4.187 ( 0.414 -0.616 1.648) 1.807 4.207 ( -1.351 -1.788 2.556) 3.399 4.429 ( -1.801 1.335 -5.466) 5.908 4.469 ( -2.143 -1.825 -5.780) 6.429 4.662 ( 1.691 2.498 -0.704) 3.098 4.689 ( 0.541 1.172 -1.260) 1.804 4.820 ( -5.210 2.519 -1.664) 6.022 4.880 ( -7.261 -1.590 -1.311) 7.547 5.025 ( -1.654 3.411 2.436) 4.506 5.103 ( -4.417 -4.178 -2.742) 6.669 5.276 ( -8.643 2.519 0.032) 9.003 5.296 ( -3.006 2.414 2.241) 4.459 5.335 ( -1.675 -0.137 -0.552) 1.768 5.390 ( -5.774 -6.285 3.987) 9.420 5.587 ( 2.361 1.703 -2.363) 3.750 5.601 ( -0.579 1.019 -2.628) 2.877 5.770 ( 4.167 6.449 -3.029) 8.254 5.807 ( 4.223 7.196 -0.669) 8.370 5.854 ( -0.612 -4.424 -3.251) 5.524 6.071 ( 8.929 -15.008 1.090) 17.497 6.295 ( -1.037 8.273 -1.500) 8.471 6.399 ( -0.452 -1.657 -0.899) 1.939 8.248 ( 0.132 3.908 0.871) 4.006 8.324 ( 3.139 -3.868 0.339) 4.993 8.620 ( 5.041 5.608 5.815) 9.522 8.682 ( 3.778 -1.377 6.815) 7.913 8.848 ( -0.686 3.164 0.509) 3.277 8.891 ( 4.653 -0.258 0.815) 4.731 9.009 ( 2.111 5.483 1.936) 6.186 9.103 ( 2.095 -3.081 6.552) 7.537 9.369 ( 0.652 4.712 -2.083) 5.193 9.487 ( 1.251 -2.545 1.209) 3.082 9.500 ( 0.727 -5.470 2.029) 5.879 9.541 ( 6.076 -9.592 -2.859) 11.709 9.789 ( -2.165 0.359 -0.431) 2.237 9.843 ( -0.431 0.981 -4.699) 4.819 9.927 ( 0.439 -8.582 4.477) 9.689 9.979 ( -1.884 -11.342 -4.138) 12.219 10.499 ( -8.735 4.310 -1.490) 9.854 10.619 ( -7.832 -7.107 -4.668) 11.561 10.787 ( -6.472 -0.210 -2.893) 7.092 10.836 ( -4.589 -5.577 -1.462) 7.369 20.018 ( -1.724 2.256 3.330) 4.377 20.069 ( -1.641 -3.252 3.112) 4.791 20.280 ( 0.761 0.671 -2.752) 2.933 20.310 ( 0.721 -2.589 -2.948) 3.989 20.739 ( -8.370 3.528 0.982) 9.136 20.807 ( -8.539 -3.352 2.778) 9.585 21.348 ( -4.714 13.112 -7.316) 15.737 21.487 ( -1.577 -1.912 -4.104) 4.794 21.549 ( 6.324 5.827 8.233) 11.905 21.751 ( -2.364 -13.200 9.182) 16.252 22.096 ( 2.704 5.240 -3.029) 6.629 22.236 ( 0.047 -8.451 -4.095) 9.391 22.901 ( -4.689 4.083 -0.012) 6.217 22.919 ( -5.450 2.268 0.034) 5.903 23.392 ( 9.749 11.389 -0.502) 15.000 23.527 ( 12.632 -2.931 -1.056) 13.011 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -3.890 14.046 1.429) 14.645 1.472 ( -3.185 6.724 3.071) 8.049 1.563 ( -1.966 3.084 -2.849) 4.636 1.652 ( -2.112 -2.363 -2.153) 3.831 1.716 ( -0.868 -3.823 -2.080) 4.438 1.805 ( -1.274 -10.047 -2.121) 10.347 2.104 ( 4.349 5.516 -1.585) 7.201 2.198 ( 4.677 -4.397 -3.170) 7.159 2.430 ( 5.034 4.134 1.353) 6.653 2.496 ( 4.222 -2.685 2.138) 5.441 2.561 ( -1.418 9.961 -0.040) 10.062 2.577 ( -0.397 9.135 -0.072) 9.144 2.654 ( -1.463 0.693 1.458) 2.178 2.699 ( 4.546 -1.283 -0.007) 4.724 2.808 ( 1.916 0.401 -3.535) 4.041 2.832 ( 6.486 -2.275 -0.649) 6.904 3.056 ( -4.432 2.205 3.174) 5.880 3.104 ( -3.132 -0.879 5.722) 6.582 3.157 ( -5.148 12.261 2.781) 13.585 3.291 ( 1.195 -2.300 2.264) 3.441 3.366 ( -3.750 4.274 -1.170) 5.805 3.480 ( -4.841 -4.474 -1.225) 6.704 3.653 ( 1.679 3.763 0.350) 4.135 3.684 ( 2.752 -0.479 -2.846) 3.988 4.072 ( -0.428 4.604 6.670) 8.116 4.092 ( 0.203 2.401 5.546) 6.047 4.201 ( -1.676 1.045 0.222) 1.988 4.205 ( -3.358 1.076 -0.321) 3.541 4.350 ( -0.110 -0.642 -4.314) 4.363 4.371 ( -0.998 -2.848 -5.098) 5.924 4.606 ( -2.784 5.318 -0.631) 6.035 4.647 ( -2.185 0.718 -2.169) 3.161 4.770 ( -2.483 0.006 -1.274) 2.791 4.804 ( -0.244 -3.034 0.226) 3.052 4.981 ( -4.089 -0.274 -1.251) 4.284 4.996 ( -3.007 -1.652 -0.933) 3.556 5.136 ( -7.249 3.555 2.725) 8.521 5.221 ( -7.050 -2.700 1.023) 7.619 5.310 ( -2.051 2.626 2.883) 4.406 5.360 ( -2.878 -2.307 3.611) 5.162 5.611 ( 3.522 4.105 -2.263) 5.863 5.668 ( 6.547 -1.676 -1.485) 6.920 5.733 ( -3.800 4.566 -3.056) 6.681 5.816 ( 2.180 -3.623 -1.709) 4.560 5.933 ( 6.508 11.664 0.432) 13.364 6.185 ( 3.693 -5.590 -0.676) 6.734 6.325 ( 5.006 -2.141 -2.140) 5.850 6.389 ( 0.979 -6.096 -1.630) 6.386 8.273 ( 1.166 6.285 1.522) 6.570 8.397 ( 2.928 -6.420 2.256) 7.408 8.704 ( -5.237 7.613 6.046) 11.043 8.728 ( -0.062 2.202 3.665) 4.276 8.780 ( -3.607 0.462 0.675) 3.698 8.886 ( -2.555 -7.554 -1.840) 8.184 9.116 ( 3.375 10.132 1.924) 10.851 9.289 ( 6.277 -4.423 0.218) 7.682 9.403 ( 6.906 6.554 -1.061) 9.580 9.490 ( 0.543 0.705 0.445) 0.995 9.514 ( 0.342 -10.614 0.276) 10.623 9.627 ( -0.331 -3.971 -6.530) 7.649 9.702 ( 7.093 -3.178 -2.531) 8.175 9.809 ( 0.621 -9.039 -7.065) 11.489 9.982 ( -0.951 -6.426 4.623) 7.973 9.990 ( 2.233 -4.501 4.924) 7.035 10.313 ( -9.089 4.214 -1.188) 10.088 10.410 ( -8.827 -5.177 -3.215) 10.726 10.683 ( -4.301 1.495 1.323) 4.742 10.751 ( -5.548 -6.327 1.068) 8.482 20.017 ( -2.221 2.296 4.004) 5.122 20.069 ( -2.196 -3.298 4.138) 5.729 20.274 ( 1.193 0.183 -1.789) 2.158 20.294 ( 0.542 -2.098 -2.353) 3.199 20.594 ( -7.064 2.465 -1.578) 7.646 20.652 ( -9.168 -3.846 -2.075) 10.156 21.143 ( -10.249 12.466 -1.592) 16.216 21.333 ( -8.839 -7.206 -2.709) 11.722 21.724 ( 4.758 6.707 4.123) 9.199 21.862 ( 3.365 -7.685 5.367) 9.959 22.129 ( 3.553 2.561 -1.989) 4.810 22.211 ( 1.083 -5.633 -2.105) 6.110 22.828 ( -3.271 3.377 -0.182) 4.705 22.839 ( -3.590 2.328 0.655) 4.329 23.565 ( 9.448 14.514 -0.716) 17.332 23.760 ( 13.853 -5.844 -1.910) 15.156 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -2.491 16.957 5.674) 18.054 1.437 ( -3.840 15.495 3.548) 16.354 1.507 ( -3.857 0.926 2.190) 4.531 1.554 ( -4.293 2.526 -0.846) 5.052 1.718 ( 0.325 -12.249 1.318) 12.324 1.784 ( -1.016 -14.955 1.579) 15.072 2.139 ( 4.516 5.226 -6.228) 9.301 2.226 ( 4.876 -3.578 -6.522) 8.895 2.431 ( -3.768 13.572 -3.186) 14.441 2.488 ( -0.571 3.458 -1.836) 3.956 2.553 ( 1.052 0.344 2.251) 2.509 2.592 ( -1.643 0.235 2.181) 2.741 2.672 ( 0.096 4.529 5.663) 7.252 2.742 ( 0.222 -3.180 0.375) 3.210 2.880 ( 4.578 1.701 -1.097) 5.005 2.911 ( 2.125 -1.333 -0.981) 2.693 2.995 ( -2.666 5.875 1.262) 6.574 3.064 ( -5.159 -1.711 2.594) 6.023 3.097 ( -3.455 10.231 2.216) 11.024 3.344 ( -2.318 -1.593 -1.256) 3.080 3.375 ( 4.737 4.692 2.846) 7.249 3.456 ( 3.391 -11.375 2.941) 12.228 3.695 ( 2.486 7.399 -0.589) 7.828 3.734 ( 4.448 1.984 -3.047) 5.745 4.035 ( -7.200 6.284 -3.692) 10.245 4.083 ( -4.787 1.678 -4.506) 6.785 4.126 ( -0.933 0.862 5.193) 5.346 4.147 ( -1.905 -1.993 4.803) 5.538 4.334 ( -0.327 2.190 -3.233) 3.918 4.371 ( 2.122 -2.185 -1.987) 3.636 4.596 ( 1.280 4.247 -0.130) 4.438 4.639 ( 2.365 -1.711 -0.088) 2.920 4.730 ( 0.732 2.526 -0.011) 2.630 4.818 ( 1.574 -4.609 -0.137) 4.872 4.911 ( -2.814 0.648 -1.668) 3.335 4.925 ( -4.159 -1.239 -1.773) 4.688 5.048 ( -5.767 2.574 3.477) 7.209 5.106 ( -6.319 -2.537 1.304) 6.933 5.300 ( -2.173 2.396 3.424) 4.710 5.338 ( -1.661 -1.061 2.814) 3.436 5.607 ( -5.502 3.977 -0.121) 6.790 5.625 ( -3.790 2.355 2.220) 4.984 5.784 ( 6.522 3.297 -3.703) 8.193 5.895 ( 8.019 -7.445 -2.210) 11.164 6.033 ( 5.798 13.188 -3.087) 14.733 6.263 ( 6.571 -2.212 -2.230) 7.283 6.338 ( 0.104 1.692 -2.325) 2.878 6.427 ( 4.017 -15.515 -3.986) 16.514 8.303 ( -0.198 6.686 2.324) 7.081 8.439 ( -1.414 -7.049 3.043) 7.807 8.593 ( -7.979 5.844 1.727) 10.040 8.700 ( -7.796 -2.578 2.361) 8.544 8.773 ( 0.960 2.649 2.610) 3.841 8.850 ( 1.283 -5.076 0.037) 5.235 9.169 ( 1.978 7.950 -0.206) 8.195 9.328 ( 0.347 -5.704 1.617) 5.939 9.430 ( -0.981 -0.926 -3.630) 3.873 9.489 ( 2.608 -2.671 -1.787) 4.139 9.576 ( 0.964 4.870 -1.300) 5.132 9.647 ( 6.861 -2.692 3.477) 8.149 9.731 ( -0.290 -8.043 -4.182) 9.070 9.857 ( 2.404 -5.098 -0.378) 5.649 9.979 ( -2.620 -0.218 3.750) 4.580 10.066 ( 2.611 -3.884 2.359) 5.241 10.221 ( 1.875 0.548 -4.224) 4.654 10.299 ( 0.986 -7.537 -3.237) 8.262 10.616 ( -6.962 -0.340 1.885) 7.221 10.646 ( -5.620 -3.932 -0.027) 6.859 20.009 ( -2.788 2.222 4.028) 5.380 20.061 ( -3.342 -3.354 4.397) 6.462 20.297 ( 2.172 -0.323 -0.195) 2.205 20.299 ( 1.228 -0.573 -0.150) 1.363 20.468 ( -5.990 0.314 -3.555) 6.973 20.475 ( -3.418 -0.455 -1.593) 3.798 20.979 ( -7.133 10.097 -0.321) 12.367 21.166 ( -6.297 -9.402 -2.866) 11.674 21.801 ( 0.620 7.288 3.546) 8.129 21.925 ( 0.172 -5.713 2.558) 6.262 22.181 ( 3.606 1.860 -1.874) 4.469 22.236 ( 2.056 -4.183 -0.716) 4.716 22.784 ( -1.511 3.409 0.073) 3.730 22.797 ( -1.842 2.050 0.668) 2.836 23.701 ( 6.013 16.994 -1.151) 18.063 23.954 ( 9.928 -9.577 -5.006) 14.675 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -7.898 0.000 19.761) 21.281 0.914 ( -0.861 0.000 21.307) 21.324 1.118 ( 5.109 0.000 -14.843) 15.697 1.264 ( 0.411 0.000 -13.071) 13.077 1.677 ( -2.156 0.000 26.583) 26.670 1.930 ( 7.344 0.000 -4.758) 8.751 2.006 ( 0.630 0.000 3.989) 4.039 2.046 ( 1.187 0.000 6.240) 6.352 2.282 ( 4.706 0.000 1.611) 4.974 2.332 ( -4.489 0.000 -3.672) 5.799 2.534 ( -1.058 0.000 1.643) 1.954 2.565 ( 2.500 0.000 -3.601) 4.384 2.606 ( 1.991 0.000 2.050) 2.858 2.640 ( -4.942 0.000 0.981) 5.039 2.747 ( -4.002 0.000 -6.233) 7.407 2.755 ( -1.867 0.000 -1.334) 2.295 2.870 ( -1.003 0.000 5.621) 5.709 2.925 ( -4.335 0.000 -1.296) 4.525 3.010 ( 4.762 0.000 -6.562) 8.108 3.011 ( 1.400 0.000 -9.146) 9.253 3.097 ( -4.822 0.000 -3.588) 6.011 3.103 ( 3.432 0.000 -1.924) 3.935 3.655 ( -2.150 0.000 11.426) 11.627 3.798 ( 5.681 0.000 0.426) 5.697 3.820 ( -7.798 0.000 -0.315) 7.805 3.876 ( 0.636 0.000 -9.440) 9.462 4.004 ( -1.315 0.000 0.252) 1.339 4.024 ( 3.844 0.000 -0.640) 3.897 4.264 ( -6.283 0.000 6.463) 9.014 4.376 ( 4.489 0.000 -4.099) 6.079 4.611 ( -5.550 0.000 0.596) 5.582 4.630 ( 4.437 0.000 -1.795) 4.786 4.884 ( -2.704 0.000 0.299) 2.721 4.888 ( 2.024 0.000 1.178) 2.342 4.915 ( 1.801 0.000 -0.372) 1.839 4.939 ( 0.456 0.000 -1.900) 1.954 5.051 ( -3.840 0.000 5.369) 6.601 5.178 ( 4.347 0.000 -6.952) 8.199 5.289 ( 1.092 0.000 6.608) 6.698 5.384 ( 2.885 0.000 5.319) 6.051 5.429 ( -0.669 0.000 -3.073) 3.145 5.445 ( -1.845 0.000 -3.384) 3.854 5.598 ( -3.258 0.000 -0.014) 3.258 5.632 ( 2.601 0.000 -5.375) 5.971 6.061 ( 6.923 0.000 1.542) 7.092 6.124 ( -7.234 0.000 -4.857) 8.713 6.566 ( 4.660 0.000 13.466) 14.250 6.814 ( -4.110 0.000 -11.637) 12.341 8.284 ( 3.487 0.000 5.994) 6.934 8.380 ( -1.905 0.000 3.048) 3.595 8.416 ( 3.112 0.000 -5.496) 6.316 8.444 ( -6.321 0.000 -4.879) 7.985 8.998 ( 10.757 0.000 8.064) 13.444 9.108 ( -7.369 0.000 -3.428) 8.128 9.256 ( 1.666 0.000 4.513) 4.811 9.339 ( 4.699 0.000 -1.920) 5.076 9.342 ( 1.664 0.000 2.329) 2.862 9.389 ( -17.423 0.000 -4.199) 17.922 9.756 ( -15.029 0.000 2.063) 15.170 9.799 ( 17.685 0.000 -2.540) 17.866 9.936 ( 4.575 0.000 8.748) 9.872 10.062 ( 2.645 0.000 -2.593) 3.704 10.292 ( 1.238 0.000 -0.656) 1.401 10.317 ( -7.039 0.000 -4.116) 8.154 10.623 ( -0.581 0.000 0.667) 0.884 10.642 ( 3.735 0.000 -1.035) 3.876 10.849 ( 0.557 0.000 1.544) 1.641 10.881 ( -1.438 0.000 -2.126) 2.567 20.013 ( -2.346 0.000 4.754) 5.302 20.107 ( 2.294 0.000 -4.744) 5.269 20.270 ( -4.641 0.000 2.431) 5.239 20.312 ( 2.790 0.000 -1.732) 3.284 20.526 ( 1.335 0.000 2.171) 2.549 20.589 ( -1.263 0.000 -4.573) 4.744 21.110 ( 1.475 0.000 2.986) 3.330 21.157 ( -2.681 0.000 -1.926) 3.302 21.665 ( -2.875 0.000 8.835) 9.291 21.850 ( 3.752 0.000 -10.298) 10.960 22.473 ( -2.636 0.000 1.106) 2.859 22.489 ( 0.948 0.000 -0.835) 1.264 22.654 ( -10.859 0.000 4.874) 11.903 22.718 ( 13.999 0.000 -1.680) 14.099 22.832 ( 0.836 0.000 2.291) 2.438 22.891 ( 3.517 0.000 -3.579) 5.018 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 4.716 0.000 14.152) 14.917 1.146 ( 4.726 0.000 14.830) 15.565 1.171 ( 12.989 0.000 -12.965) 18.353 1.219 ( 10.775 0.000 -14.152) 17.788 1.768 ( -2.068 0.000 4.459) 4.915 1.973 ( 0.864 0.000 -4.223) 4.311 2.040 ( 2.850 0.000 -9.564) 9.979 2.111 ( 2.247 0.000 -2.017) 3.020 2.203 ( -6.241 0.000 -4.493) 7.690 2.366 ( 2.372 0.000 4.754) 5.313 2.483 ( -3.292 0.000 1.943) 3.822 2.494 ( -7.398 0.000 0.004) 7.398 2.596 ( -0.653 0.000 -1.724) 1.844 2.653 ( -2.064 0.000 5.426) 5.806 2.686 ( -1.761 0.000 2.318) 2.911 2.750 ( -4.522 0.000 7.324) 8.607 2.791 ( 0.418 0.000 -5.112) 5.129 2.879 ( -2.494 0.000 7.561) 7.961 2.988 ( 1.380 0.000 -7.109) 7.242 3.017 ( -3.564 0.000 1.329) 3.804 3.033 ( 1.843 0.000 2.628) 3.210 3.133 ( 0.978 0.000 -0.274) 1.016 3.704 ( -2.375 0.000 3.379) 4.130 3.787 ( 1.375 0.000 7.101) 7.233 3.808 ( 2.104 0.000 -6.335) 6.675 3.889 ( 0.193 0.000 0.735) 0.760 4.073 ( 10.441 0.000 -1.990) 10.629 4.079 ( 2.886 0.000 -2.524) 3.834 4.243 ( -3.347 0.000 8.318) 8.966 4.452 ( 8.579 0.000 -4.826) 9.843 4.487 ( -9.214 0.000 1.737) 9.376 4.691 ( 1.589 0.000 1.539) 2.212 4.837 ( 0.396 0.000 -1.072) 1.143 4.926 ( 2.122 0.000 -0.486) 2.177 4.937 ( 1.638 0.000 0.116) 1.642 4.952 ( 2.153 0.000 -1.441) 2.591 5.080 ( 1.177 0.000 4.176) 4.338 5.157 ( 0.746 0.000 -5.343) 5.395 5.347 ( -2.444 0.000 -8.233) 8.589 5.363 ( 0.758 0.000 7.413) 7.451 5.381 ( -2.088 0.000 -4.867) 5.296 5.474 ( 0.768 0.000 6.036) 6.084 5.619 ( 5.248 0.000 -0.606) 5.283 5.737 ( 10.888 0.000 -1.005) 10.934 5.957 ( -5.421 0.000 -1.160) 5.543 6.173 ( 0.825 0.000 1.619) 1.817 6.537 ( -9.995 0.000 -14.327) 17.469 6.644 ( -8.810 0.000 12.579) 15.357 8.236 ( -6.582 0.000 -7.356) 9.870 8.307 ( -1.892 0.000 7.139) 7.385 8.513 ( 6.807 0.000 -2.354) 7.203 8.525 ( 7.208 0.000 5.829) 9.270 8.868 ( -11.209 0.000 -6.393) 12.904 9.085 ( -12.985 0.000 -0.237) 12.987 9.115 ( -4.515 0.000 -0.780) 4.582 9.239 ( -0.885 0.000 5.615) 5.684 9.407 ( 2.624 0.000 0.126) 2.627 9.449 ( -17.738 0.000 -1.074) 17.770 9.564 ( 8.637 0.000 10.317) 13.455 9.971 ( 4.450 0.000 -3.187) 5.474 10.027 ( -3.067 0.000 -10.817) 11.243 10.087 ( 5.831 0.000 2.668) 6.413 10.303 ( 8.620 0.000 2.244) 8.907 10.417 ( 7.314 0.000 4.210) 8.439 10.595 ( 0.599 0.000 -0.014) 0.599 10.710 ( 7.101 0.000 -5.689) 9.099 10.902 ( 4.871 0.000 -1.288) 5.038 10.930 ( 5.726 0.000 2.653) 6.311 20.028 ( -1.360 0.000 5.074) 5.254 20.122 ( 4.070 0.000 -4.884) 6.357 20.266 ( 0.513 0.000 4.007) 4.040 20.377 ( 4.139 0.000 -2.171) 4.673 20.531 ( -0.090 0.000 -1.941) 1.943 20.574 ( 1.330 0.000 2.536) 2.863 21.115 ( -0.229 0.000 -1.967) 1.980 21.180 ( 2.918 0.000 3.340) 4.436 21.665 ( -6.388 0.000 8.732) 10.819 21.796 ( 1.022 0.000 -10.139) 10.190 22.394 ( -6.898 0.000 2.720) 7.415 22.492 ( 0.131 0.000 -0.150) 0.199 22.549 ( -1.941 0.000 -0.145) 1.946 22.780 ( -2.057 0.000 0.015) 2.057 22.857 ( -0.685 0.000 2.648) 2.735 23.028 ( 14.803 0.000 -12.101) 19.120 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 7.889 0.000 2.823) 8.379 1.190 ( 5.025 0.000 -14.682) 15.518 1.358 ( 12.052 0.000 -7.478) 14.183 1.362 ( 4.381 0.000 5.568) 7.084 1.766 ( 1.972 0.000 -2.235) 2.981 1.863 ( -9.884 0.000 0.335) 9.890 1.941 ( -5.165 0.000 -7.060) 8.748 2.037 ( -0.825 0.000 -11.134) 11.165 2.139 ( 4.327 0.000 -1.934) 4.739 2.374 ( -5.483 0.000 0.559) 5.511 2.380 ( -3.032 0.000 -0.455) 3.066 2.449 ( -4.966 0.000 1.020) 5.070 2.533 ( -4.186 0.000 -0.556) 4.222 2.630 ( -0.710 0.000 2.154) 2.268 2.705 ( -2.655 0.000 8.370) 8.781 2.739 ( 3.165 0.000 -1.323) 3.430 2.831 ( 1.891 0.000 -2.449) 3.094 2.898 ( -2.301 0.000 -6.870) 7.245 2.959 ( -0.089 0.000 6.128) 6.128 3.007 ( 1.042 0.000 1.209) 1.596 3.107 ( -0.661 0.000 5.088) 5.131 3.162 ( 0.651 0.000 10.258) 10.278 3.712 ( 0.919 0.000 1.543) 1.796 3.752 ( -4.146 0.000 0.796) 4.222 3.887 ( -0.864 0.000 12.085) 12.116 3.950 ( 8.599 0.000 -8.006) 11.749 4.110 ( 2.552 0.000 -0.002) 2.552 4.258 ( 9.772 0.000 -0.357) 9.779 4.272 ( -1.244 0.000 4.437) 4.608 4.331 ( -10.962 0.000 5.903) 12.450 4.550 ( 4.615 0.000 -4.173) 6.222 4.666 ( -0.779 0.000 -2.228) 2.360 4.926 ( 0.897 0.000 -2.710) 2.855 4.940 ( 5.379 0.000 -1.094) 5.489 5.008 ( 4.723 0.000 0.506) 4.750 5.019 ( 10.047 0.000 -0.457) 10.057 5.092 ( -3.235 0.000 -3.338) 4.649 5.146 ( 3.843 0.000 -0.450) 3.870 5.248 ( -1.663 0.000 -2.900) 3.343 5.324 ( 1.459 0.000 -4.462) 4.694 5.484 ( 3.726 0.000 7.009) 7.938 5.521 ( -0.561 0.000 5.365) 5.395 5.723 ( 4.957 0.000 -0.090) 4.958 5.855 ( 5.577 0.000 -3.301) 6.480 5.991 ( 4.529 0.000 5.975) 7.497 6.069 ( -8.754 0.000 -4.053) 9.647 6.291 ( -3.567 0.000 -11.130) 11.688 6.537 ( -13.213 0.000 8.790) 15.869 8.081 ( -3.643 0.000 -4.855) 6.070 8.382 ( -0.533 0.000 10.828) 10.841 8.565 ( -0.187 0.000 -1.868) 1.878 8.569 ( -6.881 0.000 -4.471) 8.205 8.715 ( -2.194 0.000 2.478) 3.309 8.930 ( -3.640 0.000 3.922) 5.351 9.006 ( -2.470 0.000 -2.991) 3.879 9.145 ( -12.683 0.000 -2.189) 12.870 9.258 ( -3.234 0.000 5.575) 6.445 9.437 ( 0.676 0.000 0.439) 0.806 9.725 ( -0.069 0.000 8.260) 8.261 9.835 ( -4.797 0.000 -9.734) 10.852 10.003 ( -0.364 0.000 2.642) 2.667 10.201 ( -1.426 0.000 2.319) 2.723 10.406 ( 2.357 0.000 -4.513) 5.091 10.502 ( 11.667 0.000 -3.853) 12.287 10.799 ( 10.275 0.000 -8.031) 13.041 10.813 ( 13.162 0.000 4.413) 13.882 10.991 ( 6.370 0.000 -3.174) 7.117 11.077 ( 6.454 0.000 3.074) 7.149 20.053 ( -1.434 0.000 5.744) 5.920 20.154 ( 4.453 0.000 -5.424) 7.018 20.332 ( 0.633 0.000 5.896) 5.930 20.378 ( -0.120 0.000 -2.007) 2.010 20.570 ( 3.756 0.000 -0.299) 3.767 20.628 ( 2.822 0.000 1.796) 3.345 21.105 ( 1.608 0.000 -2.930) 3.342 21.268 ( 3.302 0.000 2.496) 4.139 21.596 ( -9.618 0.000 7.974) 12.493 21.687 ( -3.447 0.000 -9.160) 9.787 22.375 ( 0.876 0.000 5.675) 5.742 22.492 ( -0.024 0.000 0.013) 0.027 22.553 ( 1.558 0.000 0.708) 1.711 22.728 ( -3.024 0.000 -0.176) 3.029 22.860 ( -2.318 0.000 4.271) 4.860 23.138 ( 10.940 0.000 -13.662) 17.503 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -2.482 0.000 -6.694) 7.139 1.282 ( 5.446 0.000 2.934) 6.186 1.417 ( 3.637 0.000 -3.151) 4.811 1.491 ( 12.310 0.000 -8.875) 15.176 1.680 ( -12.203 0.000 7.152) 14.144 1.811 ( 3.965 0.000 -0.920) 4.070 1.891 ( 1.872 0.000 1.235) 2.243 1.893 ( -2.999 0.000 -12.292) 12.652 2.216 ( 1.986 0.000 -1.944) 2.779 2.263 ( -6.249 0.000 -3.798) 7.312 2.283 ( -5.771 0.000 3.214) 6.605 2.363 ( -2.843 0.000 -3.990) 4.900 2.456 ( -4.014 0.000 0.541) 4.051 2.643 ( 0.097 0.000 0.051) 0.110 2.677 ( -5.803 0.000 -5.157) 7.763 2.751 ( -3.228 0.000 10.064) 10.570 2.808 ( 2.854 0.000 -3.545) 4.551 2.894 ( -5.656 0.000 -2.166) 6.057 2.982 ( 15.816 0.000 -7.328) 17.431 3.051 ( 2.254 0.000 1.745) 2.850 3.168 ( -0.591 0.000 7.495) 7.519 3.275 ( -2.877 0.000 13.930) 14.224 3.685 ( -4.449 0.000 0.711) 4.505 3.713 ( -3.987 0.000 1.396) 4.224 3.986 ( -1.495 0.000 11.377) 11.475 4.029 ( 9.195 0.000 -9.138) 12.963 4.141 ( -3.096 0.000 5.904) 6.666 4.185 ( -7.088 0.000 6.238) 9.442 4.357 ( 4.941 0.000 -7.080) 8.634 4.357 ( 5.617 0.000 3.212) 6.470 4.519 ( -1.457 0.000 -4.536) 4.764 4.707 ( 4.022 0.000 0.491) 4.052 4.931 ( 2.624 0.000 -2.567) 3.671 4.973 ( 0.863 0.000 -1.934) 2.117 5.034 ( 0.610 0.000 2.185) 2.268 5.121 ( 8.159 0.000 -0.533) 8.177 5.128 ( -0.490 0.000 -3.567) 3.601 5.205 ( 3.028 0.000 -0.709) 3.110 5.301 ( 7.111 0.000 0.158) 7.113 5.359 ( 7.629 0.000 -4.408) 8.811 5.492 ( -0.974 0.000 -3.180) 3.326 5.564 ( -2.480 0.000 -4.714) 5.327 5.810 ( 0.310 0.000 5.331) 5.340 5.927 ( 0.070 0.000 1.167) 1.169 5.944 ( 5.847 0.000 -2.586) 6.393 6.158 ( 5.710 0.000 10.427) 11.888 6.172 ( -1.012 0.000 -5.924) 6.009 6.301 ( -18.209 0.000 0.193) 18.210 8.031 ( 1.143 0.000 -1.065) 1.562 8.348 ( -8.453 0.000 -0.821) 8.493 8.476 ( -4.086 0.000 5.925) 7.197 8.495 ( -5.042 0.000 0.750) 5.098 8.677 ( -1.132 0.000 2.184) 2.459 8.893 ( -7.932 0.000 -2.219) 8.236 8.988 ( -0.653 0.000 9.036) 9.059 9.055 ( 4.035 0.000 -1.856) 4.441 9.249 ( -3.655 0.000 7.236) 8.107 9.442 ( -0.364 0.000 -0.586) 0.690 9.708 ( 0.582 0.000 -7.803) 7.824 9.767 ( -2.164 0.000 6.333) 6.692 10.019 ( -1.955 0.000 4.407) 4.821 10.045 ( -9.231 0.000 -2.917) 9.681 10.523 ( 8.992 0.000 -2.827) 9.426 10.626 ( 8.458 0.000 -7.726) 11.455 10.938 ( 11.505 0.000 -5.752) 12.862 11.032 ( 7.537 0.000 1.527) 7.690 11.060 ( 5.364 0.000 -4.759) 7.171 11.181 ( 2.159 0.000 1.130) 2.437 20.080 ( -1.968 0.000 6.322) 6.621 20.178 ( 3.970 0.000 -5.539) 6.815 20.370 ( -2.878 0.000 6.304) 6.930 20.370 ( 0.575 0.000 -0.541) 0.789 20.645 ( 5.126 0.000 -0.367) 5.139 20.716 ( 4.630 0.000 1.715) 4.938 21.118 ( 3.034 0.000 -3.307) 4.487 21.332 ( 1.689 0.000 0.599) 1.792 21.479 ( -10.494 0.000 6.947) 12.585 21.522 ( -4.403 0.000 -8.610) 9.670 22.459 ( 1.435 0.000 4.528) 4.750 22.493 ( 0.286 0.000 -0.109) 0.306 22.603 ( 1.735 0.000 2.007) 2.653 22.676 ( -2.458 0.000 -0.024) 2.458 22.864 ( -3.641 0.000 8.803) 9.527 23.184 ( 8.686 0.000 -14.100) 16.561 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 9.716 0.000 4.567) 10.736 1.388 ( 1.396 0.000 2.227) 2.628 1.480 ( -0.133 0.000 5.759) 5.760 1.579 ( -6.347 0.000 7.726) 9.999 1.623 ( 8.945 0.000 -8.768) 12.526 1.692 ( -0.807 0.000 -10.128) 10.160 1.901 ( 3.102 0.000 -0.521) 3.145 1.941 ( 1.477 0.000 1.087) 1.834 2.086 ( -5.475 0.000 -8.761) 10.331 2.114 ( -3.992 0.000 -6.668) 7.771 2.256 ( -4.843 0.000 3.544) 6.002 2.284 ( -0.520 0.000 -4.221) 4.253 2.440 ( 1.945 0.000 2.711) 3.336 2.592 ( 0.136 0.000 -0.612) 0.627 2.613 ( -4.151 0.000 -2.563) 4.878 2.677 ( -7.864 0.000 1.798) 8.067 2.850 ( 3.747 0.000 -1.154) 3.921 2.850 ( 0.005 0.000 1.869) 1.869 3.128 ( 4.104 0.000 2.687) 4.906 3.193 ( -3.336 0.000 4.687) 5.753 3.228 ( 16.810 0.000 -6.453) 18.006 3.271 ( -11.521 0.000 12.294) 16.848 3.605 ( -3.342 0.000 -1.288) 3.582 3.606 ( -4.563 0.000 -2.039) 4.998 4.024 ( -4.900 0.000 5.550) 7.403 4.092 ( -5.067 0.000 12.767) 13.736 4.112 ( 9.220 0.000 -9.493) 13.234 4.240 ( -1.141 0.000 10.284) 10.347 4.361 ( 3.805 0.000 -7.705) 8.593 4.449 ( 0.424 0.000 -6.859) 6.872 4.516 ( 7.568 0.000 2.652) 8.019 4.713 ( -4.143 0.000 -1.648) 4.459 4.972 ( 3.547 0.000 -1.070) 3.705 5.012 ( 2.082 0.000 4.735) 5.172 5.068 ( -1.173 0.000 -1.535) 1.932 5.130 ( 5.274 0.000 2.351) 5.775 5.213 ( -1.853 0.000 1.516) 2.394 5.294 ( 6.761 0.000 -3.518) 7.622 5.388 ( -2.501 0.000 -5.952) 6.456 5.392 ( 5.834 0.000 -2.279) 6.263 5.441 ( 2.329 0.000 -3.156) 3.923 5.470 ( 1.327 0.000 -5.450) 5.609 5.722 ( -5.671 0.000 -0.518) 5.695 5.906 ( -17.508 0.000 -5.597) 18.381 6.013 ( -0.294 0.000 1.787) 1.811 6.096 ( 2.300 0.000 -5.232) 5.716 6.151 ( 5.481 0.000 10.772) 12.086 6.326 ( 3.335 0.000 3.704) 4.984 8.083 ( 4.304 0.000 0.381) 4.321 8.199 ( -6.213 0.000 -1.368) 6.361 8.439 ( -2.207 0.000 1.957) 2.950 8.440 ( -2.701 0.000 2.559) 3.721 8.711 ( -0.265 0.000 4.043) 4.052 8.778 ( -1.825 0.000 -1.442) 2.326 9.043 ( -1.871 0.000 8.846) 9.042 9.116 ( 2.916 0.000 -1.367) 3.220 9.279 ( -0.503 0.000 7.606) 7.622 9.407 ( -1.653 0.000 -2.287) 2.821 9.710 ( 5.494 0.000 -5.267) 7.610 9.730 ( -7.880 0.000 3.303) 8.544 9.945 ( 1.760 0.000 -0.878) 1.967 9.997 ( -3.824 0.000 2.070) 4.348 10.614 ( 2.901 0.000 -1.523) 3.277 10.678 ( 4.153 0.000 -6.601) 7.799 11.075 ( 7.710 0.000 -3.715) 8.558 11.105 ( -0.608 0.000 0.423) 0.741 11.111 ( 5.015 0.000 -3.519) 6.127 11.172 ( -2.660 0.000 -1.197) 2.917 20.094 ( -3.216 0.000 6.467) 7.222 20.199 ( 3.920 0.000 -5.389) 6.664 20.361 ( -3.357 0.000 4.877) 5.921 20.385 ( 1.632 0.000 -0.418) 1.685 20.743 ( 4.897 0.000 0.508) 4.923 20.791 ( 1.090 0.000 1.072) 1.529 21.152 ( 3.242 0.000 -1.446) 3.550 21.288 ( -5.458 0.000 -2.731) 6.104 21.374 ( -6.957 0.000 6.062) 9.227 21.442 ( 3.922 0.000 -6.285) 7.408 22.500 ( 0.059 0.000 1.596) 1.597 22.502 ( 0.759 0.000 -0.090) 0.764 22.632 ( 0.534 0.000 0.267) 0.598 22.643 ( -1.264 0.000 0.137) 1.271 22.889 ( -5.625 0.000 13.515) 14.639 23.196 ( 7.303 0.000 -14.450) 16.190 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -12.983 0.000 -7.505) 14.997 1.400 ( 9.489 0.000 1.854) 9.669 1.441 ( -8.667 0.000 8.742) 12.310 1.575 ( -1.950 0.000 3.185) 3.735 1.690 ( -0.202 0.000 -11.798) 11.799 1.741 ( 13.629 0.000 -7.693) 15.650 1.882 ( -2.999 0.000 8.326) 8.850 1.923 ( -4.374 0.000 -0.635) 4.420 2.020 ( 5.628 0.000 0.122) 5.629 2.045 ( 2.887 0.000 -7.120) 7.683 2.214 ( -1.099 0.000 2.647) 2.866 2.299 ( 4.566 0.000 -1.344) 4.760 2.460 ( -7.077 0.000 1.197) 7.178 2.544 ( 3.991 0.000 4.275) 5.848 2.605 ( -2.185 0.000 -2.146) 3.063 2.653 ( 4.825 0.000 3.569) 6.002 2.844 ( -2.055 0.000 -0.458) 2.106 2.895 ( 2.613 0.000 -2.347) 3.512 3.088 ( -13.341 0.000 6.785) 14.968 3.169 ( -5.692 0.000 0.943) 5.769 3.230 ( 3.664 0.000 1.353) 3.906 3.451 ( 13.501 0.000 -6.125) 14.825 3.571 ( 1.270 0.000 1.272) 1.798 3.574 ( 1.468 0.000 0.688) 1.621 3.945 ( -8.521 0.000 7.340) 11.247 4.165 ( 5.660 0.000 -8.998) 10.631 4.179 ( -0.630 0.000 10.964) 10.982 4.282 ( -3.539 0.000 9.576) 10.209 4.346 ( 5.022 0.000 -11.990) 12.999 4.419 ( 2.304 0.000 -7.783) 8.117 4.555 ( -9.820 0.000 -1.449) 9.926 4.647 ( 2.624 0.000 4.842) 5.507 4.973 ( -3.843 0.000 -1.096) 3.997 5.030 ( 2.750 0.000 0.558) 2.806 5.131 ( -6.181 0.000 -4.545) 7.672 5.184 ( -3.455 0.000 -3.305) 4.781 5.185 ( 5.017 0.000 6.563) 8.261 5.216 ( 0.956 0.000 1.120) 1.473 5.366 ( -7.617 0.000 -2.621) 8.056 5.375 ( -5.515 0.000 -0.698) 5.559 5.411 ( -1.901 0.000 0.509) 1.968 5.441 ( -1.760 0.000 -3.714) 4.110 5.710 ( 3.370 0.000 0.124) 3.372 5.814 ( 14.067 0.000 3.521) 14.501 6.013 ( -3.072 0.000 3.222) 4.452 6.026 ( -4.166 0.000 0.975) 4.279 6.313 ( -3.385 0.000 -5.607) 6.550 6.350 ( 6.767 0.000 0.988) 6.838 8.098 ( -3.837 0.000 -1.270) 4.042 8.180 ( 5.621 0.000 0.799) 5.678 8.453 ( 2.372 0.000 0.575) 2.440 8.460 ( 3.669 0.000 0.415) 3.692 8.735 ( 0.620 0.000 2.797) 2.865 8.787 ( 3.035 0.000 -2.937) 4.223 9.081 ( -1.662 0.000 4.339) 4.646 9.132 ( 0.760 0.000 -0.833) 1.128 9.356 ( 2.356 0.000 3.798) 4.469 9.368 ( -0.033 0.000 -1.211) 1.211 9.602 ( -8.847 0.000 4.586) 9.965 9.784 ( 6.678 0.000 -3.009) 7.325 9.942 ( -1.947 0.000 -0.680) 2.062 10.031 ( 6.853 0.000 -0.849) 6.905 10.591 ( -5.514 0.000 1.673) 5.762 10.631 ( -3.888 0.000 -4.066) 5.626 11.029 ( -7.882 0.000 0.860) 7.928 11.083 ( -5.231 0.000 -1.032) 5.332 11.128 ( 0.756 0.000 -2.157) 2.286 11.177 ( 4.258 0.000 -1.421) 4.489 20.085 ( -4.119 0.000 6.212) 7.454 20.211 ( 2.736 0.000 -5.465) 6.111 20.349 ( -2.098 0.000 3.352) 3.954 20.426 ( 3.844 0.000 -1.451) 4.109 20.755 ( -4.775 0.000 -0.601) 4.812 20.797 ( -0.358 0.000 0.617) 0.713 21.162 ( -4.750 0.000 -2.615) 5.422 21.227 ( 4.536 0.000 2.929) 5.399 21.340 ( -2.841 0.000 4.358) 5.203 21.496 ( 8.204 0.000 -6.369) 10.386 22.498 ( -0.925 0.000 0.514) 1.058 22.513 ( 0.349 0.000 -0.138) 0.375 22.634 ( 0.277 0.000 -0.134) 0.307 22.647 ( 1.496 0.000 -0.380) 1.543 22.902 ( -7.756 0.000 15.220) 17.082 23.177 ( 5.763 0.000 -15.131) 16.192 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -12.476 0.000 2.494) 12.723 1.278 ( -15.268 0.000 4.425) 15.896 1.413 ( -2.330 0.000 -1.435) 2.736 1.511 ( -2.659 0.000 -10.167) 10.509 1.686 ( 5.610 0.000 5.338) 7.744 1.848 ( 6.555 0.000 -8.499) 10.733 1.849 ( -2.780 0.000 -1.823) 3.324 1.907 ( -3.013 0.000 3.462) 4.590 2.081 ( -0.135 0.000 2.438) 2.442 2.181 ( 8.325 0.000 3.863) 9.177 2.277 ( 3.615 0.000 4.373) 5.674 2.377 ( 4.811 0.000 -2.984) 5.661 2.473 ( 6.599 0.000 2.852) 7.189 2.552 ( -2.070 0.000 2.134) 2.973 2.621 ( 1.380 0.000 2.159) 2.562 2.788 ( -2.804 0.000 -0.902) 2.945 2.810 ( 6.307 0.000 5.473) 8.351 2.890 ( -10.591 0.000 3.257) 11.080 2.903 ( 2.017 0.000 -4.877) 5.278 3.098 ( -1.413 0.000 -2.079) 2.514 3.263 ( 0.835 0.000 -2.322) 2.468 3.473 ( -2.713 0.000 -5.574) 6.200 3.639 ( 1.228 0.000 4.737) 4.893 3.732 ( 9.381 0.000 0.132) 9.382 3.877 ( -5.722 0.000 6.806) 8.892 4.168 ( 3.934 0.000 -7.935) 8.856 4.200 ( -5.896 0.000 8.152) 10.060 4.252 ( -5.653 0.000 -5.379) 7.803 4.357 ( 0.583 0.000 11.121) 11.136 4.378 ( 6.341 0.000 -13.285) 14.721 4.439 ( -0.983 0.000 -4.320) 4.431 4.692 ( -2.539 0.000 3.889) 4.645 4.903 ( -2.554 0.000 -0.136) 2.558 4.977 ( -4.975 0.000 -2.719) 5.669 5.079 ( 1.133 0.000 -0.983) 1.500 5.113 ( -1.383 0.000 -2.541) 2.893 5.126 ( -7.245 0.000 -1.182) 7.341 5.163 ( -6.160 0.000 2.519) 6.655 5.273 ( -5.076 0.000 2.323) 5.583 5.322 ( -8.166 0.000 -1.445) 8.293 5.422 ( 2.190 0.000 7.556) 7.867 5.462 ( 8.394 0.000 1.662) 8.557 5.840 ( 7.210 0.000 0.739) 7.248 5.892 ( -5.866 0.000 2.923) 6.554 5.965 ( -4.582 0.000 0.225) 4.588 6.159 ( -5.224 0.000 -4.729) 7.046 6.177 ( 8.228 0.000 4.897) 9.575 6.421 ( 9.539 0.000 -8.596) 12.841 8.036 ( -1.303 0.000 -1.343) 1.871 8.302 ( 6.295 0.000 2.432) 6.749 8.509 ( 2.858 0.000 -0.225) 2.867 8.575 ( 9.129 0.000 -2.168) 9.383 8.763 ( -0.916 0.000 -7.094) 7.153 8.830 ( 6.375 0.000 3.883) 7.465 9.054 ( -2.135 0.000 -0.529) 2.200 9.130 ( 0.254 0.000 -4.313) 4.321 9.379 ( 2.791 0.000 -3.582) 4.541 9.406 ( -0.669 0.000 2.377) 2.470 9.544 ( -2.765 0.000 8.961) 9.378 9.859 ( 2.818 0.000 -3.079) 4.174 9.979 ( 7.663 0.000 2.049) 7.932 10.126 ( 5.647 0.000 -5.845) 8.128 10.472 ( -10.546 0.000 6.946) 12.628 10.479 ( -10.091 0.000 0.134) 10.092 10.855 ( -12.124 0.000 2.597) 12.399 10.994 ( -4.751 0.000 1.515) 4.987 11.057 ( -6.486 0.000 -1.559) 6.671 11.207 ( -0.230 0.000 -1.418) 1.436 20.067 ( -4.003 0.000 5.885) 7.117 20.194 ( 1.086 0.000 -5.267) 5.377 20.347 ( -1.082 0.000 2.280) 2.523 20.480 ( 4.172 0.000 -4.497) 6.134 20.646 ( -5.649 0.000 -0.541) 5.675 20.739 ( -5.350 0.000 -0.014) 5.350 21.079 ( -3.019 0.000 -0.026) 3.019 21.320 ( -1.247 0.000 1.668) 2.083 21.371 ( 4.358 0.000 6.854) 8.122 21.615 ( 11.469 0.000 -7.134) 13.507 22.489 ( -0.390 0.000 0.486) 0.623 22.509 ( -0.240 0.000 -1.029) 1.057 22.638 ( 0.211 0.000 -1.373) 1.389 22.679 ( 2.344 0.000 -0.366) 2.373 22.893 ( -9.011 0.000 15.585) 18.002 23.115 ( 3.247 0.000 -16.068) 16.393 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -11.736 0.000 19.223) 22.522 1.009 ( -19.468 0.000 10.057) 21.912 1.396 ( 2.138 0.000 -5.846) 6.225 1.439 ( -3.254 0.000 0.112) 3.256 1.737 ( -2.997 0.000 0.174) 3.002 1.790 ( -15.135 0.000 4.970) 15.930 1.850 ( 2.444 0.000 5.888) 6.375 1.911 ( 6.185 0.000 -0.551) 6.209 2.050 ( -0.309 0.000 2.070) 2.093 2.354 ( 6.084 0.000 1.725) 6.324 2.404 ( 6.087 0.000 4.589) 7.623 2.426 ( 4.554 0.000 -4.777) 6.600 2.523 ( 2.105 0.000 0.509) 2.166 2.645 ( 0.454 0.000 0.150) 0.478 2.686 ( 1.911 0.000 5.962) 6.261 2.792 ( 9.164 0.000 -0.544) 9.180 2.843 ( 0.622 0.000 1.574) 1.693 2.869 ( 0.661 0.000 -7.167) 7.198 2.937 ( 1.165 0.000 4.677) 4.820 3.064 ( 0.434 0.000 -3.957) 3.981 3.224 ( -1.214 0.000 -5.061) 5.205 3.334 ( -5.072 0.000 -4.432) 6.736 3.664 ( -5.368 0.000 9.119) 10.582 3.804 ( 2.070 0.000 -5.525) 5.900 3.870 ( 0.241 0.000 1.393) 1.414 4.072 ( -3.607 0.000 -5.322) 6.429 4.170 ( -5.985 0.000 8.651) 10.520 4.175 ( -1.509 0.000 -9.440) 9.560 4.368 ( 1.263 0.000 -4.921) 5.080 4.449 ( 8.679 0.000 -6.111) 10.614 4.464 ( -0.952 0.000 8.494) 8.547 4.625 ( -3.980 0.000 -0.889) 4.078 4.892 ( -6.098 0.000 2.296) 6.516 4.895 ( 1.105 0.000 0.230) 1.129 5.011 ( -8.387 0.000 -0.338) 8.393 5.029 ( -2.683 0.000 -1.259) 2.964 5.078 ( 0.785 0.000 -1.425) 1.627 5.103 ( -2.621 0.000 3.054) 4.024 5.221 ( 0.250 0.000 0.900) 0.934 5.243 ( -2.006 0.000 2.804) 3.448 5.488 ( -1.135 0.000 5.393) 5.511 5.610 ( 5.190 0.000 -2.058) 5.583 5.800 ( -7.402 0.000 -7.950) 10.862 5.808 ( -6.073 0.000 1.903) 6.364 5.989 ( 8.336 0.000 2.642) 8.744 6.128 ( -5.817 0.000 -6.662) 8.845 6.153 ( 3.885 0.000 4.313) 5.805 6.652 ( 16.350 0.000 -3.894) 16.808 8.037 ( 2.429 0.000 -0.196) 2.437 8.458 ( 6.866 0.000 5.484) 8.787 8.532 ( -1.724 0.000 1.671) 2.401 8.604 ( -2.492 0.000 -11.673) 11.936 8.743 ( 4.694 0.000 0.086) 4.695 8.964 ( 4.079 0.000 1.155) 4.240 9.045 ( -1.139 0.000 -6.921) 7.014 9.098 ( 9.116 0.000 2.656) 9.495 9.384 ( 3.052 0.000 -6.894) 7.539 9.406 ( -2.267 0.000 3.968) 4.570 9.644 ( 2.516 0.000 9.251) 9.587 9.857 ( 1.789 0.000 -5.579) 5.859 10.094 ( -2.198 0.000 -6.392) 6.760 10.186 ( 5.055 0.000 4.013) 6.455 10.316 ( -4.641 0.000 4.127) 6.211 10.387 ( -6.727 0.000 7.505) 10.079 10.681 ( -9.371 0.000 4.127) 10.239 10.875 ( -11.250 0.000 -2.328) 11.489 10.931 ( -4.644 0.000 2.599) 5.322 11.132 ( -5.730 0.000 -2.637) 6.307 20.049 ( -3.898 0.000 5.362) 6.629 20.159 ( 0.534 0.000 -4.976) 5.005 20.352 ( -0.250 0.000 1.321) 1.344 20.447 ( -2.787 0.000 -5.602) 6.257 20.562 ( -3.464 0.000 0.468) 3.495 20.665 ( -1.079 0.000 -1.665) 1.984 21.052 ( -1.214 0.000 2.206) 2.518 21.295 ( -1.756 0.000 -0.206) 1.768 21.525 ( 3.897 0.000 7.969) 8.871 21.753 ( 10.913 0.000 -8.170) 13.633 22.481 ( -0.790 0.000 -3.976) 4.054 22.492 ( 0.089 0.000 0.285) 0.299 22.590 ( -2.908 0.000 -3.761) 4.754 22.725 ( 2.811 0.000 0.069) 2.812 22.863 ( -10.044 0.000 14.683) 17.790 23.002 ( -0.128 0.000 -12.404) 12.405 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -12.062 0.000 20.151) 23.485 0.839 ( -12.270 0.000 18.229) 21.973 1.276 ( -5.123 0.000 -12.748) 13.739 1.345 ( -9.046 0.000 10.712) 14.020 1.582 ( -11.152 0.000 9.462) 14.625 1.784 ( 7.860 0.000 1.473) 7.997 1.951 ( 0.830 0.000 8.321) 8.362 2.007 ( 0.241 0.000 3.416) 3.424 2.154 ( 7.605 0.000 0.579) 7.627 2.410 ( 0.094 0.000 -1.717) 1.720 2.475 ( 3.850 0.000 0.341) 3.865 2.528 ( 3.141 0.000 0.791) 3.239 2.573 ( 1.659 0.000 0.595) 1.762 2.666 ( 1.244 0.000 1.077) 1.645 2.772 ( 4.466 0.000 3.757) 5.836 2.814 ( 0.133 0.000 -6.383) 6.384 2.862 ( 1.452 0.000 -5.498) 5.686 2.933 ( -3.234 0.000 3.681) 4.899 2.960 ( 7.427 0.000 -3.913) 8.395 3.046 ( 2.606 0.000 -2.257) 3.448 3.135 ( -2.546 0.000 -6.937) 7.389 3.233 ( -1.878 0.000 -8.314) 8.523 3.638 ( -6.630 0.000 10.255) 12.211 3.743 ( 0.497 0.000 -5.578) 5.600 3.902 ( 1.757 0.000 0.404) 1.803 4.014 ( -0.405 0.000 -11.857) 11.864 4.024 ( -4.361 0.000 1.944) 4.775 4.086 ( -8.471 0.000 -2.058) 8.718 4.353 ( 1.658 0.000 -2.944) 3.379 4.356 ( -10.010 0.000 3.004) 10.451 4.554 ( 7.547 0.000 -4.864) 8.978 4.687 ( -0.316 0.000 3.003) 3.019 4.781 ( -1.204 0.000 5.459) 5.590 4.907 ( -0.531 0.000 0.462) 0.704 4.924 ( -2.689 0.000 0.913) 2.839 4.977 ( -1.368 0.000 -2.835) 3.147 5.085 ( -1.314 0.000 1.577) 2.053 5.128 ( 3.757 0.000 -1.172) 3.936 5.237 ( -1.252 0.000 3.032) 3.280 5.282 ( 2.939 0.000 4.072) 5.022 5.476 ( -2.847 0.000 0.956) 3.003 5.565 ( -5.744 0.000 -6.151) 8.416 5.660 ( 0.723 0.000 -5.491) 5.539 5.703 ( -7.525 0.000 2.121) 7.818 6.000 ( -0.375 0.000 -4.500) 4.516 6.195 ( 5.907 0.000 0.329) 5.916 6.296 ( 8.166 0.000 8.545) 11.820 6.845 ( 10.027 0.000 -7.887) 12.758 8.127 ( 5.885 0.000 3.366) 6.780 8.450 ( -2.527 0.000 -7.283) 7.709 8.467 ( -6.992 0.000 2.527) 7.435 8.599 ( -1.437 0.000 0.890) 1.690 8.760 ( 4.389 0.000 1.980) 4.815 9.090 ( 7.584 0.000 1.602) 7.752 9.093 ( 9.475 0.000 -1.318) 9.567 9.347 ( 1.548 0.000 -4.095) 4.378 9.380 ( 14.418 0.000 3.224) 14.774 9.385 ( -3.716 0.000 2.571) 4.519 9.775 ( 1.383 0.000 11.149) 11.234 9.775 ( -5.175 0.000 -9.861) 11.137 9.968 ( -8.663 0.000 0.791) 8.699 10.096 ( -6.835 0.000 1.815) 7.072 10.329 ( -3.267 0.000 -0.476) 3.301 10.454 ( 2.507 0.000 0.194) 2.514 10.615 ( -2.240 0.000 3.571) 4.216 10.642 ( -7.087 0.000 -3.877) 8.078 10.872 ( -3.880 0.000 1.810) 4.281 10.982 ( -6.534 0.000 -2.861) 7.133 20.026 ( -3.709 0.000 4.802) 6.067 20.125 ( 0.856 0.000 -4.786) 4.861 20.338 ( -2.950 0.000 -3.247) 4.386 20.346 ( -2.639 0.000 0.577) 2.702 20.515 ( -2.042 0.000 0.237) 2.056 20.638 ( 0.361 0.000 -4.205) 4.220 21.068 ( 0.237 0.000 2.862) 2.872 21.243 ( -2.791 0.000 -3.413) 4.409 21.625 ( -1.132 0.000 7.579) 7.663 21.841 ( 7.574 0.000 -9.397) 12.069 22.436 ( 3.939 0.000 -1.933) 4.388 22.492 ( -0.444 0.000 0.131) 0.463 22.539 ( 0.565 0.000 0.681) 0.885 22.769 ( -1.831 0.000 2.615) 3.192 22.803 ( -7.201 0.000 9.847) 12.199 22.915 ( -1.001 0.000 -3.907) 4.033 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -5.438 12.284 16.505) 21.281 1.101 ( -0.243 13.903 18.289) 22.974 1.192 ( 3.827 7.719 -12.400) 15.099 1.402 ( 1.849 11.388 -10.976) 15.924 1.819 ( -3.858 14.480 18.146) 23.534 1.961 ( 4.063 2.232 -3.216) 5.642 2.028 ( 0.976 2.139 3.966) 4.610 2.074 ( 3.242 4.452 6.000) 8.145 2.237 ( 3.914 -4.495 1.243) 6.088 2.277 ( -3.056 -4.293 -2.931) 6.029 2.566 ( 3.223 2.830 4.315) 6.084 2.620 ( -2.997 -0.553 -0.351) 3.067 2.645 ( -3.656 4.610 -3.365) 6.778 2.682 ( 1.071 1.197 -0.426) 1.661 2.769 ( -1.670 2.694 -1.152) 3.373 2.816 ( -2.164 8.210 0.568) 8.509 2.886 ( -0.535 2.479 -2.634) 3.656 2.952 ( -2.456 0.441 -2.171) 3.307 3.004 ( -1.006 7.472 -1.034) 7.610 3.083 ( -1.412 0.840 -3.463) 3.833 3.093 ( 2.937 2.523 -1.465) 4.140 3.133 ( 0.721 5.663 -6.533) 8.676 3.658 ( -4.124 -3.431 7.661) 9.353 3.739 ( 3.343 -3.453 0.598) 4.843 3.772 ( -1.116 -0.573 -0.318) 1.294 3.895 ( 0.039 3.295 -9.537) 10.090 4.057 ( -1.752 4.570 2.530) 5.510 4.089 ( 3.889 4.724 -0.002) 6.119 4.278 ( -4.086 1.493 8.231) 9.309 4.413 ( 3.379 2.355 -4.882) 6.387 4.611 ( 2.492 -2.856 -0.712) 3.856 4.617 ( -5.202 0.558 -1.029) 5.332 4.798 ( 0.937 -3.794 4.133) 5.688 4.864 ( 0.891 -4.336 -3.078) 5.392 4.929 ( -1.164 0.836 0.945) 1.717 4.956 ( 0.877 1.402 -1.565) 2.277 5.002 ( -2.923 -4.224 4.665) 6.939 5.126 ( 2.657 -4.319 -6.801) 8.483 5.323 ( 1.973 3.413 4.429) 5.929 5.384 ( 0.885 -1.285 3.673) 3.991 5.433 ( 2.364 2.178 -0.034) 3.215 5.491 ( -3.308 4.206 3.457) 6.371 5.602 ( 1.442 -0.585 -7.377) 7.539 5.636 ( -1.590 2.155 -5.785) 6.375 6.110 ( 5.107 4.388 0.839) 6.786 6.155 ( -5.252 2.987 -3.627) 7.047 6.518 ( 3.144 -5.248 13.161) 14.513 6.769 ( -1.740 -5.576 -12.508) 13.804 8.258 ( -0.476 -0.850 4.081) 4.195 8.322 ( 0.243 -1.102 -1.642) 1.993 8.546 ( 3.894 8.477 -0.008) 9.329 8.580 ( -6.451 8.697 -3.459) 11.367 8.949 ( 8.396 -4.367 7.378) 12.000 9.061 ( -6.281 -4.592 -3.885) 8.697 9.268 ( 3.439 1.282 4.241) 5.609 9.325 ( -2.590 -0.362 -0.870) 2.756 9.377 ( -7.265 0.716 1.953) 7.557 9.395 ( 0.083 2.705 -1.115) 2.927 9.756 ( 3.439 -3.325 1.023) 4.891 9.771 ( -0.793 -0.374 -0.024) 0.877 9.926 ( 2.823 -0.915 6.750) 7.374 10.034 ( 1.764 -3.042 -1.476) 3.814 10.252 ( -3.694 -7.016 -2.865) 8.431 10.277 ( 0.477 -2.189 -3.916) 4.512 10.526 ( -3.605 -9.414 2.372) 10.356 10.589 ( 6.947 -5.555 -3.173) 9.444 10.698 ( 0.059 -13.402 1.937) 13.541 10.748 ( -2.447 -11.609 -3.304) 12.315 20.019 ( -2.586 0.642 4.608) 5.323 20.104 ( 1.585 -0.296 -3.820) 4.147 20.273 ( -3.897 0.329 1.665) 4.251 20.308 ( 2.682 -0.437 -1.589) 3.148 20.509 ( 2.535 -1.212 2.308) 3.636 20.569 ( -1.781 -1.364 -3.948) 4.541 20.985 ( 0.128 -8.317 11.054) 13.834 21.158 ( 0.169 -2.499 -7.713) 8.110 21.728 ( -2.962 5.281 8.435) 10.383 21.891 ( 3.627 3.920 -8.304) 9.873 22.349 ( 2.466 -9.081 5.348) 10.823 22.419 ( -2.041 -6.977 -2.186) 7.591 22.607 ( 2.663 2.587 1.870) 4.157 22.630 ( -3.298 1.899 -0.021) 3.806 23.123 ( -2.970 19.301 5.847) 20.385 23.322 ( 6.184 27.531 -15.954) 32.415 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 5.188 10.132 12.932) 17.228 1.220 ( 9.819 7.501 -11.583) 16.937 1.297 ( 5.550 11.446 8.990) 15.577 1.380 ( 8.702 12.275 -12.402) 19.499 1.835 ( -1.847 7.130 1.908) 7.609 1.992 ( -1.055 0.545 2.113) 2.424 2.111 ( 0.320 0.759 -2.138) 2.291 2.119 ( 4.003 9.018 -8.597) 13.086 2.161 ( -5.305 -3.166 -3.995) 7.357 2.293 ( -0.025 -6.538 2.842) 7.130 2.510 ( -5.389 4.382 -0.482) 6.962 2.559 ( -4.146 3.038 2.806) 5.855 2.647 ( -0.345 2.618 3.608) 4.471 2.668 ( -4.203 -0.414 1.539) 4.496 2.752 ( -1.414 5.448 -0.741) 5.677 2.796 ( -0.822 4.173 3.456) 5.480 2.814 ( 1.331 6.082 -1.024) 6.309 2.964 ( 0.317 4.915 5.788) 7.600 3.003 ( 0.087 7.656 1.030) 7.725 3.030 ( -2.505 1.854 0.696) 3.194 3.117 ( 0.085 3.367 0.708) 3.442 3.120 ( 2.420 3.724 -3.893) 5.906 3.657 ( -1.517 -3.203 4.167) 5.471 3.769 ( -0.645 -4.407 -0.419) 4.474 3.855 ( 5.673 2.645 -5.128) 8.092 3.880 ( 4.448 1.301 6.329) 7.844 3.997 ( -0.051 0.285 -2.057) 2.077 4.166 ( 2.009 4.928 -3.181) 6.200 4.286 ( -2.304 2.896 7.344) 8.224 4.443 ( 3.776 -0.853 -7.404) 8.355 4.503 ( -5.115 -0.122 2.736) 5.802 4.679 ( 2.300 -1.034 2.499) 3.551 4.813 ( 0.993 -1.919 -0.860) 2.326 4.861 ( 0.951 -4.150 -1.673) 4.574 4.933 ( 1.267 -1.319 0.708) 1.962 4.984 ( 2.550 1.910 1.215) 3.409 5.029 ( 2.273 -3.132 2.136) 4.420 5.140 ( 3.141 -2.534 -3.947) 5.645 5.328 ( -1.055 0.458 -4.489) 4.634 5.384 ( -1.303 2.297 1.289) 2.939 5.430 ( -1.429 4.269 1.070) 4.627 5.514 ( 0.781 2.733 1.862) 3.398 5.612 ( 4.034 -0.901 -2.692) 4.933 5.720 ( 11.794 -0.566 1.088) 11.858 6.023 ( -4.694 5.999 -0.571) 7.638 6.186 ( -0.140 1.480 0.377) 1.533 6.515 ( -9.011 -3.866 -12.052) 15.537 6.590 ( -8.333 -5.294 9.771) 13.891 8.221 ( -3.420 0.533 0.064) 3.462 8.375 ( 0.695 0.792 -0.777) 1.309 8.500 ( 2.142 6.405 3.018) 7.397 8.635 ( 2.779 5.336 2.687) 6.589 8.845 ( -9.068 -1.670 -6.050) 11.028 9.037 ( -7.125 -4.292 3.080) 8.869 9.159 ( -5.620 3.665 -1.023) 6.787 9.263 ( -2.302 2.583 2.541) 4.292 9.415 ( -1.416 1.188 0.804) 2.016 9.450 ( -13.662 -0.458 -3.766) 14.179 9.561 ( 8.484 -0.352 8.845) 12.261 9.947 ( 1.826 -2.252 -1.290) 3.173 9.989 ( -4.287 -4.007 -8.853) 10.622 10.097 ( 9.150 -1.171 4.035) 10.069 10.208 ( 4.644 -8.276 -0.844) 9.527 10.372 ( 9.604 -7.184 2.577) 12.267 10.472 ( -3.076 -9.700 1.149) 10.240 10.675 ( 7.469 -4.624 -6.843) 11.136 10.755 ( 5.398 -12.986 -0.260) 14.065 10.802 ( 7.253 -11.219 3.696) 13.861 20.030 ( -1.298 0.349 5.037) 5.213 20.121 ( 3.599 -0.340 -3.226) 4.846 20.264 ( 0.235 0.152 2.408) 2.424 20.378 ( 4.730 0.189 -1.798) 5.064 20.494 ( -1.061 -3.166 -1.678) 3.737 20.569 ( 1.517 -0.302 1.568) 2.203 21.066 ( 1.147 -3.290 -0.269) 3.495 21.152 ( 4.904 -4.115 -0.040) 6.402 21.723 ( -5.755 5.304 6.794) 10.364 21.855 ( 0.989 5.193 -7.962) 9.557 22.284 ( -5.447 -7.734 -0.424) 9.469 22.455 ( 2.042 -4.587 0.701) 5.069 22.585 ( -0.504 4.377 -0.552) 4.440 22.725 ( 6.055 -2.573 2.036) 6.887 23.065 ( -7.588 21.175 3.743) 22.803 23.297 ( 4.018 18.630 -9.629) 21.353 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 5.072 8.173 2.574) 9.958 1.265 ( 7.309 8.339 -13.794) 17.698 1.427 ( 8.543 6.596 -12.872) 16.798 1.483 ( 6.046 9.736 7.797) 13.862 1.826 ( -1.310 5.810 -2.437) 6.435 1.881 ( -10.293 0.694 1.351) 10.405 2.002 ( -2.810 2.150 -6.678) 7.557 2.026 ( -1.862 4.044 -5.205) 6.849 2.189 ( 4.354 5.430 0.821) 7.008 2.271 ( -2.069 -5.896 -0.858) 6.307 2.427 ( -6.333 3.233 0.405) 7.122 2.521 ( -3.411 1.650 1.773) 4.183 2.569 ( -4.008 4.286 -1.840) 6.149 2.663 ( -0.044 2.710 2.739) 3.853 2.743 ( 0.305 4.549 -0.232) 4.565 2.788 ( -1.748 4.188 1.688) 4.843 2.904 ( 5.977 7.068 0.015) 9.256 2.924 ( -4.181 4.818 -5.517) 8.434 3.001 ( 0.020 2.217 -1.573) 2.719 3.085 ( -0.701 8.482 11.351) 14.188 3.109 ( -0.967 -0.626 2.373) 2.638 3.196 ( 3.572 6.157 6.138) 9.399 3.682 ( -1.175 -2.711 4.375) 5.279 3.714 ( -3.182 -2.751 -0.409) 4.227 3.923 ( -1.381 2.128 7.603) 8.015 3.974 ( 9.188 2.140 -5.246) 10.794 4.116 ( 5.862 -1.309 0.294) 6.013 4.170 ( 2.473 -2.473 3.652) 5.056 4.301 ( -2.362 2.462 3.905) 5.186 4.353 ( -4.310 1.327 -2.164) 5.002 4.503 ( 2.392 -5.093 -5.100) 7.594 4.668 ( -2.009 0.246 -1.496) 2.517 4.869 ( 1.386 -3.009 -0.135) 3.315 4.919 ( 5.718 -2.790 1.034) 6.445 4.992 ( 6.367 -0.622 -0.267) 6.403 5.045 ( 2.710 1.521 -0.122) 3.110 5.120 ( 6.079 -1.848 -0.196) 6.356 5.160 ( 3.661 2.029 -1.750) 4.537 5.231 ( -3.114 2.650 -3.284) 5.245 5.391 ( 1.959 5.267 -5.344) 7.754 5.486 ( 4.431 -0.041 7.118) 8.384 5.549 ( -0.315 3.282 4.055) 5.226 5.703 ( 5.079 -2.085 -0.226) 5.495 5.874 ( 6.384 0.598 -3.974) 7.543 6.032 ( 2.769 4.068 5.661) 7.500 6.064 ( -8.523 -0.018 -6.408) 10.663 6.275 ( -4.603 -1.416 -9.477) 10.630 6.503 ( -11.386 -4.195 10.150) 15.820 8.128 ( -3.703 4.376 -3.502) 6.717 8.404 ( -0.489 1.185 7.060) 7.175 8.567 ( -2.345 3.233 0.992) 4.115 8.620 ( -7.170 3.278 -3.605) 8.669 8.717 ( 0.478 0.397 2.699) 2.769 8.910 ( -7.404 -1.258 3.616) 8.336 9.068 ( -0.131 3.440 -4.051) 5.316 9.142 ( -12.087 0.844 -1.396) 12.197 9.259 ( -2.635 0.450 4.679) 5.388 9.443 ( 0.219 0.800 -0.091) 0.834 9.715 ( -0.331 -1.081 7.444) 7.529 9.803 ( -5.883 -3.460 -6.807) 9.639 9.956 ( -1.864 -4.968 3.563) 6.392 10.195 ( -4.410 -5.806 -0.733) 7.327 10.267 ( 9.224 -6.468 -4.583) 12.162 10.513 ( 6.994 -4.042 -0.682) 8.106 10.619 ( 12.107 -17.466 1.541) 21.307 10.742 ( 8.509 -5.351 -8.422) 13.114 10.891 ( 9.748 -10.103 -2.107) 14.196 10.991 ( 8.239 -7.195 3.816) 11.585 20.058 ( -1.397 0.385 5.670) 5.852 20.157 ( 3.908 0.056 -4.418) 5.898 20.299 ( -0.275 -2.378 3.186) 3.985 20.378 ( -0.128 -0.153 -0.918) 0.939 20.551 ( 3.836 -1.306 -0.208) 4.057 20.622 ( 4.762 -1.030 2.065) 5.291 21.077 ( 3.816 -1.581 -5.338) 6.749 21.261 ( 3.385 -1.214 3.899) 5.305 21.644 ( -7.511 4.537 2.719) 9.186 21.771 ( -3.811 7.404 -4.892) 9.658 22.258 ( 1.901 -8.509 2.730) 9.136 22.482 ( 0.883 -1.814 0.000) 2.017 22.593 ( 1.543 4.898 0.022) 5.135 22.831 ( 3.250 -1.177 2.083) 4.036 22.949 ( -7.247 17.131 1.334) 18.649 23.274 ( 1.729 12.515 -6.688) 14.295 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.417 8.315 -8.737) 12.069 1.351 ( 4.222 6.574 1.668) 7.989 1.457 ( 6.622 4.891 -6.499) 10.489 1.624 ( 0.579 8.778 1.106) 8.867 1.722 ( -2.797 5.042 3.378) 6.682 1.792 ( -0.597 1.551 0.454) 1.723 1.865 ( -2.866 -2.036 -11.753) 12.268 2.047 ( 2.078 11.316 1.420) 11.592 2.221 ( -0.874 -0.807 -4.800) 4.945 2.253 ( -3.328 1.401 -2.528) 4.408 2.284 ( -4.223 2.331 4.679) 6.720 2.469 ( -2.991 4.487 -1.543) 5.609 2.478 ( -5.216 3.073 -1.147) 6.162 2.658 ( -2.769 1.390 -4.254) 5.263 2.695 ( -2.312 0.711 4.062) 4.727 2.793 ( -3.358 8.503 -0.892) 9.186 2.871 ( 3.467 3.506 1.997) 5.320 2.945 ( -2.684 5.811 -2.525) 6.881 3.044 ( 11.026 6.050 -4.925) 13.506 3.101 ( 1.288 5.161 2.276) 5.786 3.192 ( 1.304 3.350 5.504) 6.574 3.305 ( -1.674 3.643 11.435) 12.118 3.640 ( -4.048 -3.739 2.033) 5.873 3.677 ( -5.038 -3.618 1.702) 6.432 4.010 ( -0.483 2.426 9.327) 9.650 4.065 ( 7.785 3.367 -7.179) 11.113 4.136 ( -1.363 -0.734 3.742) 4.050 4.199 ( -5.282 1.162 2.697) 6.043 4.296 ( 1.067 -2.068 3.163) 3.927 4.375 ( 6.207 -0.487 -3.462) 7.124 4.511 ( 3.658 -3.471 -3.208) 5.977 4.634 ( 0.286 -0.883 -2.245) 2.430 4.914 ( 2.788 -2.473 1.397) 3.980 4.985 ( 2.479 -0.592 1.680) 3.052 5.040 ( 0.662 -0.859 -2.516) 2.740 5.105 ( 1.362 1.652 -1.961) 2.904 5.199 ( 4.459 3.436 -0.214) 5.634 5.207 ( 3.991 0.753 -1.213) 4.239 5.266 ( 6.231 -1.922 0.012) 6.521 5.426 ( 7.057 6.084 -4.914) 10.534 5.542 ( -1.395 3.985 -2.130) 4.729 5.582 ( -0.172 2.361 -4.300) 4.908 5.803 ( 5.339 -2.233 5.454) 7.952 5.876 ( -4.570 -2.693 -3.646) 6.437 5.951 ( 6.002 0.590 -1.872) 6.315 6.095 ( -3.133 -5.342 -3.488) 7.108 6.211 ( 2.886 3.715 7.017) 8.448 6.336 ( -13.749 1.416 1.671) 13.922 8.074 ( 0.410 4.063 -0.579) 4.125 8.374 ( -8.847 1.529 -0.083) 8.978 8.474 ( -2.842 0.840 2.888) 4.138 8.514 ( -5.396 2.938 2.523) 6.642 8.716 ( -2.679 3.681 2.292) 5.097 8.855 ( -6.166 -3.427 3.419) 7.839 9.011 ( -0.509 1.097 3.094) 3.322 9.088 ( 2.641 3.732 -1.262) 4.743 9.257 ( -3.371 0.930 6.583) 7.454 9.432 ( -1.085 -0.912 -0.659) 1.563 9.677 ( -0.295 -2.973 -5.535) 6.290 9.752 ( -1.904 -2.126 5.271) 5.994 9.908 ( -7.020 -8.120 3.389) 11.257 10.105 ( -2.704 1.565 -1.055) 3.298 10.391 ( 8.173 -11.076 -4.372) 14.443 10.595 ( 4.499 -7.757 -4.366) 9.974 10.814 ( 9.506 -14.509 -2.316) 17.500 10.844 ( 9.466 -8.884 -5.438) 14.075 11.035 ( 8.101 -7.318 -3.311) 11.408 11.125 ( 3.561 -4.672 0.821) 5.931 20.079 ( -2.221 -0.088 5.824) 6.234 20.175 ( 3.175 -0.315 -5.176) 6.080 20.312 ( -1.190 -3.753 3.475) 5.252 20.378 ( -0.538 -0.887 0.663) 1.231 20.626 ( 5.984 -0.711 -0.265) 6.032 20.758 ( 5.488 3.424 3.711) 7.458 21.100 ( 4.089 -1.364 -5.335) 6.859 21.318 ( -1.353 -0.500 3.650) 3.925 21.523 ( -6.541 4.905 0.160) 8.177 21.649 ( -4.325 10.097 -3.733) 11.602 22.354 ( 3.084 -9.065 4.812) 10.717 22.492 ( 0.821 -1.160 -0.836) 1.648 22.635 ( 2.441 5.383 0.689) 5.951 22.832 ( -5.741 12.124 0.714) 13.434 22.895 ( 0.143 2.601 4.234) 4.971 23.236 ( 1.861 6.105 -8.288) 10.461 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 9.582 7.813 1.356) 12.438 1.445 ( 2.133 5.737 0.936) 6.192 1.540 ( 0.742 5.016 5.684) 7.617 1.587 ( -5.974 1.723 8.828) 10.798 1.684 ( -0.641 1.856 -11.357) 11.526 1.745 ( 2.740 6.308 -1.669) 7.077 1.849 ( 3.656 -0.809 -3.567) 5.171 2.049 ( -1.627 6.214 -0.913) 6.488 2.105 ( -4.611 -1.146 -6.851) 8.337 2.146 ( -1.250 6.616 -6.283) 9.209 2.272 ( -2.916 1.967 0.693) 3.585 2.351 ( -3.340 4.911 -3.959) 7.138 2.469 ( 2.174 2.632 2.469) 4.213 2.565 ( -3.951 -0.044 -0.071) 3.951 2.714 ( -1.406 4.901 1.849) 5.424 2.725 ( -2.383 7.428 -0.854) 7.848 2.911 ( 1.192 7.257 0.909) 7.411 2.924 ( 0.741 6.917 0.799) 7.002 3.158 ( 3.227 3.372 2.696) 5.390 3.201 ( 2.669 1.977 1.200) 3.532 3.270 ( 3.906 3.784 1.896) 5.760 3.318 ( -4.743 4.661 6.099) 9.023 3.569 ( -4.358 -2.896 -0.100) 5.234 3.590 ( -2.068 -1.698 -1.299) 2.974 4.040 ( -4.851 1.880 4.278) 6.735 4.075 ( -2.726 -0.645 6.856) 7.406 4.172 ( 7.958 4.638 -6.950) 11.539 4.241 ( 0.294 -0.233 8.842) 8.850 4.321 ( 1.194 -3.567 -2.566) 4.553 4.426 ( 3.225 0.141 -3.910) 5.070 4.567 ( 4.869 1.930 -2.091) 5.639 4.614 ( -2.660 -4.769 -0.052) 5.461 4.963 ( 0.609 -3.639 0.960) 3.812 5.013 ( 0.188 -1.375 -2.810) 3.134 5.090 ( 2.382 0.212 6.222) 6.666 5.104 ( 3.180 2.696 0.913) 4.268 5.218 ( 0.496 -0.201 -2.461) 2.518 5.342 ( 5.733 3.124 0.221) 6.533 5.377 ( 3.284 0.079 -1.585) 3.648 5.433 ( -0.053 2.105 -5.325) 5.726 5.493 ( 2.290 3.171 -5.723) 6.932 5.510 ( 0.252 6.668 -3.957) 7.757 5.729 ( -4.124 0.730 -1.546) 4.465 5.898 ( -13.354 -1.307 -4.113) 14.034 5.975 ( 2.825 -4.196 1.625) 5.313 6.105 ( -2.039 0.030 -2.198) 2.998 6.131 ( 4.724 -0.220 6.386) 7.947 6.322 ( 1.316 -0.323 2.156) 2.547 8.122 ( 3.918 3.656 1.256) 5.504 8.233 ( -5.599 2.483 -0.536) 6.148 8.445 ( -3.842 0.937 3.518) 5.293 8.460 ( -1.286 2.875 0.426) 3.178 8.712 ( -0.623 0.666 3.911) 4.016 8.781 ( -2.431 -0.144 1.019) 2.640 9.080 ( -1.237 3.764 7.064) 8.099 9.115 ( 2.899 -0.049 -2.367) 3.743 9.272 ( -0.396 -0.693 6.056) 6.109 9.399 ( -1.889 -0.699 -0.164) 2.021 9.674 ( 2.920 -3.269 -2.986) 5.304 9.720 ( -5.370 -1.664 1.540) 5.829 9.866 ( 0.885 -6.334 3.575) 7.327 10.038 ( -3.184 1.981 -3.008) 4.807 10.483 ( 4.344 -12.738 -0.733) 13.478 10.604 ( 1.078 -10.184 -5.184) 11.478 10.920 ( 4.299 -11.194 -2.177) 12.187 10.944 ( 4.739 -12.310 -3.026) 13.533 11.106 ( 3.208 -5.642 -2.997) 7.149 11.140 ( -0.801 -3.586 -1.774) 4.081 20.085 ( -3.104 -0.748 5.763) 6.588 20.182 ( 2.828 -1.471 -4.843) 5.798 20.324 ( -1.449 -3.078 3.986) 5.241 20.375 ( 0.741 -1.696 -0.824) 2.026 20.748 ( 5.784 1.298 1.385) 6.088 20.840 ( -0.126 4.988 1.276) 5.150 21.143 ( 5.332 -0.733 -2.032) 5.753 21.267 ( -6.510 -0.882 0.869) 6.627 21.449 ( -2.860 7.029 3.056) 8.181 21.564 ( 0.156 10.014 -5.843) 11.595 22.428 ( 0.476 -7.381 3.999) 8.409 22.497 ( 0.859 -1.928 -1.544) 2.615 22.684 ( 2.274 6.873 0.612) 7.265 22.747 ( -3.522 9.123 -0.277) 9.783 22.934 ( -3.632 4.746 9.871) 11.539 23.194 ( 4.367 0.697 -11.947) 12.739 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -12.536 5.804 -6.412) 15.230 1.440 ( 6.515 4.074 1.178) 7.774 1.512 ( -6.720 5.706 7.911) 11.845 1.599 ( -3.368 2.554 3.096) 5.239 1.728 ( 3.141 2.673 -5.928) 7.222 1.787 ( 12.235 3.510 -7.926) 14.994 1.873 ( -4.461 0.270 0.191) 4.474 1.996 ( 7.169 -0.265 -0.278) 7.180 2.032 ( -1.075 6.938 2.520) 7.460 2.100 ( 2.194 5.626 -5.050) 7.872 2.235 ( -2.467 2.316 2.152) 4.010 2.341 ( 5.409 3.250 -1.602) 6.510 2.492 ( -3.911 3.983 0.627) 5.618 2.552 ( 3.160 1.213 1.284) 3.620 2.675 ( -2.848 6.168 2.630) 7.285 2.734 ( 2.362 6.911 0.884) 7.357 2.881 ( -4.021 6.106 1.399) 7.444 2.988 ( 4.347 7.477 -2.995) 9.153 3.115 ( -11.257 4.299 5.510) 13.250 3.211 ( -5.115 4.845 1.280) 7.161 3.255 ( 1.841 2.401 1.111) 3.223 3.454 ( 10.799 0.307 -3.646) 11.402 3.533 ( 0.867 -2.881 2.518) 3.924 3.595 ( 3.655 1.705 -2.014) 4.508 3.965 ( -8.361 2.288 7.748) 11.627 4.110 ( 0.142 -3.043 2.251) 3.788 4.216 ( 0.840 0.480 -3.104) 3.251 4.302 ( -3.043 1.740 7.849) 8.596 4.334 ( 8.248 -1.075 -9.192) 12.397 4.428 ( 1.569 1.159 -6.511) 6.797 4.523 ( -6.994 -1.457 2.094) 7.445 4.619 ( 1.198 -1.182 -0.181) 1.692 4.946 ( -3.233 -2.263 1.358) 4.174 5.008 ( 1.637 -3.010 -1.140) 3.611 5.124 ( -4.362 -3.008 0.189) 5.302 5.179 ( -1.842 2.014 0.603) 2.795 5.204 ( -1.982 1.369 -4.387) 5.005 5.271 ( 5.189 4.935 3.927) 8.167 5.390 ( -4.507 0.605 -0.375) 4.563 5.419 ( -5.660 2.635 -0.288) 6.250 5.435 ( -5.730 4.376 -3.574) 8.047 5.480 ( -0.453 4.567 -1.255) 4.757 5.706 ( 1.172 -0.255 0.324) 1.243 5.837 ( 13.077 1.320 1.525) 13.232 5.943 ( -6.871 -3.635 3.722) 8.618 6.090 ( 2.642 3.080 -0.112) 4.060 6.242 ( -3.206 -5.532 -3.130) 7.119 6.341 ( 5.211 -1.537 -0.567) 5.463 8.145 ( -3.564 4.254 -1.182) 5.674 8.221 ( 5.451 3.762 0.958) 6.692 8.443 ( 1.150 0.090 1.953) 2.268 8.490 ( 5.155 2.727 -0.894) 5.900 8.749 ( 0.921 1.612 2.698) 3.275 8.784 ( 2.107 -0.122 -1.395) 2.530 9.070 ( -3.463 -0.959 3.065) 4.723 9.151 ( 2.273 1.407 -0.781) 2.784 9.344 ( -0.957 -0.697 0.428) 1.258 9.384 ( 3.875 1.330 2.427) 4.763 9.597 ( -7.728 -0.656 3.277) 8.419 9.752 ( 6.062 -3.419 -2.042) 7.253 9.924 ( -1.041 -2.041 0.204) 2.301 9.995 ( 5.201 -3.872 -1.435) 6.641 10.516 ( -2.972 -8.526 1.675) 9.183 10.521 ( -4.453 -11.865 -3.198) 13.071 10.899 ( -5.111 -13.113 0.316) 14.077 10.931 ( -3.883 -10.202 -2.850) 11.282 11.088 ( -3.026 -5.939 -1.306) 6.792 11.134 ( 2.334 -5.077 -0.952) 5.668 20.077 ( -3.595 -0.636 5.698) 6.767 20.187 ( 2.377 -2.079 -4.382) 5.402 20.328 ( -1.680 -2.320 2.947) 4.110 20.396 ( 2.880 -3.123 -2.110) 4.744 20.768 ( -6.021 1.930 -0.250) 6.328 20.843 ( 1.532 4.812 1.049) 5.158 21.136 ( -6.741 -1.239 -1.530) 7.023 21.262 ( 7.341 2.925 1.373) 8.020 21.431 ( -3.283 7.125 3.587) 8.626 21.569 ( 6.408 7.445 -5.372) 11.196 22.452 ( -1.353 -5.721 3.216) 6.701 22.488 ( -0.089 -3.587 -2.139) 4.178 22.694 ( -1.792 6.530 -0.284) 6.778 22.743 ( 3.536 8.948 0.088) 9.622 22.928 ( -7.949 3.777 11.018) 14.101 23.190 ( 7.758 1.889 -12.023) 14.433 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -11.056 8.390 3.104) 14.222 1.358 ( -15.432 5.529 4.754) 17.068 1.400 ( -1.509 3.598 -3.809) 5.452 1.663 ( 0.049 4.882 1.242) 5.037 1.718 ( 4.823 7.881 -2.546) 9.584 1.806 ( -1.606 -0.906 -2.035) 2.746 1.881 ( 5.908 2.495 -7.649) 9.981 2.069 ( 0.347 11.957 2.644) 12.251 2.115 ( 1.163 3.840 0.433) 4.035 2.176 ( 8.021 -0.237 3.507) 8.757 2.315 ( 3.123 3.768 2.805) 5.641 2.431 ( 5.264 4.374 -0.040) 6.844 2.487 ( 5.103 1.838 2.276) 5.882 2.555 ( -3.715 1.261 2.903) 4.880 2.723 ( 3.228 6.952 3.732) 8.525 2.755 ( 0.610 0.080 -2.133) 2.220 2.875 ( -1.515 7.562 3.966) 8.672 2.920 ( -6.742 3.482 0.314) 7.594 3.024 ( 0.164 9.506 -2.775) 9.904 3.137 ( -1.863 4.993 -0.784) 5.387 3.266 ( 0.037 0.304 -1.933) 1.957 3.471 ( -2.606 -0.012 -3.818) 4.622 3.644 ( 2.083 -0.122 0.778) 2.227 3.703 ( 9.082 -3.133 -0.104) 9.608 3.895 ( -7.274 3.123 8.793) 11.832 4.105 ( -2.604 -3.604 1.303) 4.633 4.196 ( 2.944 -1.367 -4.508) 5.555 4.273 ( -5.666 1.078 2.348) 6.227 4.363 ( -0.193 -0.614 -5.088) 5.129 4.393 ( 5.152 3.244 -7.171) 9.407 4.459 ( -2.221 0.485 0.612) 2.354 4.603 ( -2.378 -3.689 0.880) 4.476 4.912 ( -2.785 -1.133 3.541) 4.645 4.960 ( -4.289 -3.549 -1.662) 5.810 5.072 ( -0.780 0.662 1.811) 2.080 5.102 ( -2.377 0.711 -4.018) 4.722 5.165 ( -2.568 0.437 -0.427) 2.639 5.232 ( -7.444 5.282 -2.144) 9.376 5.293 ( -4.194 0.977 -2.054) 4.771 5.328 ( -7.737 4.561 3.389) 9.599 5.429 ( 2.351 0.510 7.535) 7.910 5.523 ( 5.786 5.577 2.223) 8.338 5.814 ( 5.129 -2.915 2.584) 6.440 5.856 ( -4.774 -4.996 1.509) 7.073 5.967 ( -6.209 2.676 -2.088) 7.076 6.043 ( 0.413 -6.715 -0.324) 6.735 6.276 ( 2.929 5.283 0.524) 6.063 6.425 ( 12.389 -1.416 -6.318) 13.979 8.084 ( -1.421 4.451 -1.394) 4.876 8.342 ( 6.906 3.537 1.911) 7.991 8.491 ( 1.642 -0.319 0.515) 1.750 8.605 ( 8.454 3.088 -3.509) 9.660 8.770 ( 0.581 0.879 -3.898) 4.038 8.852 ( 6.580 1.564 2.471) 7.201 9.026 ( -2.902 -2.492 0.733) 3.895 9.158 ( -0.560 2.574 -4.188) 4.948 9.334 ( 2.457 -1.903 0.228) 3.116 9.456 ( -1.144 2.100 -3.316) 4.088 9.546 ( 0.646 0.398 7.269) 7.308 9.837 ( 3.210 -2.647 -2.678) 4.948 9.941 ( 6.865 -5.025 -0.076) 8.508 10.103 ( 4.843 -2.145 -0.673) 5.340 10.333 ( -11.193 -11.033 -0.876) 15.741 10.484 ( -5.737 -3.860 6.181) 9.275 10.766 ( -11.022 -9.583 2.572) 14.831 10.795 ( -6.915 -15.266 -1.261) 16.806 10.990 ( -7.661 -8.271 0.779) 11.301 11.145 ( -1.117 -6.161 -1.032) 6.346 20.066 ( -3.429 0.027 5.679) 6.634 20.182 ( 1.390 -1.296 -4.209) 4.618 20.324 ( -0.944 -2.243 1.860) 3.063 20.426 ( 2.772 -4.953 -3.438) 6.636 20.637 ( -6.703 0.261 -1.121) 6.801 20.822 ( -4.323 7.480 -1.305) 8.737 21.016 ( -5.852 -4.636 1.835) 7.688 21.380 ( 1.949 3.739 -2.357) 4.831 21.434 ( 2.155 5.821 6.581) 9.046 21.675 ( 9.573 6.185 -4.238) 12.159 22.427 ( -3.203 -7.734 -1.505) 8.505 22.470 ( -0.436 -3.457 0.824) 3.580 22.654 ( -2.108 4.670 -1.298) 5.285 22.817 ( 1.422 6.826 3.461) 7.784 22.875 ( -4.136 4.687 5.260) 8.170 23.242 ( 8.426 10.577 -9.173) 16.340 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -10.154 10.462 16.615) 22.105 1.127 ( -16.928 10.567 10.463) 22.532 1.383 ( 3.086 2.495 -4.049) 5.670 1.609 ( -4.519 8.058 -4.305) 10.193 1.761 ( -3.291 8.695 3.850) 10.063 1.832 ( 4.077 -0.740 5.249) 6.688 1.933 ( 5.986 1.122 -2.527) 6.593 2.005 ( -9.328 17.146 1.799) 19.602 2.118 ( -2.206 6.631 2.386) 7.385 2.282 ( 2.956 -4.425 -1.741) 5.599 2.402 ( 6.918 0.911 2.334) 7.358 2.515 ( 1.198 3.507 3.609) 5.173 2.541 ( 4.366 1.470 -0.140) 4.609 2.664 ( 4.434 3.564 1.771) 5.958 2.765 ( -0.922 1.732 -0.912) 2.164 2.783 ( 2.753 2.132 0.583) 3.531 2.838 ( 5.382 6.990 2.611) 9.200 2.957 ( 1.422 1.598 -0.442) 2.184 2.992 ( -0.306 7.318 -2.039) 7.603 3.129 ( 1.035 6.211 -0.650) 6.330 3.225 ( -1.460 2.314 -4.188) 5.002 3.336 ( -5.976 0.561 -4.651) 7.593 3.676 ( -1.762 -0.496 4.267) 4.643 3.778 ( 3.118 -4.337 -2.468) 5.884 3.871 ( -2.908 3.542 2.948) 5.449 4.031 ( -4.394 -2.611 -2.211) 5.569 4.197 ( -0.161 1.641 -6.308) 6.520 4.207 ( -6.294 2.318 3.725) 7.672 4.277 ( -4.291 -7.866 -2.790) 9.384 4.398 ( 2.448 2.673 -4.552) 5.818 4.472 ( 4.286 -3.574 0.202) 5.584 4.610 ( 1.915 -0.262 2.529) 3.183 4.876 ( -6.442 -1.806 3.952) 7.771 4.903 ( -1.092 -0.469 -1.696) 2.071 5.020 ( -2.607 -1.799 -3.088) 4.424 5.049 ( -2.501 2.448 -0.057) 3.500 5.104 ( -3.805 0.004 -0.331) 3.819 5.157 ( -4.834 -0.589 -0.727) 4.924 5.182 ( -0.616 6.354 2.098) 6.719 5.277 ( -2.074 3.454 4.700) 6.191 5.518 ( -0.229 1.794 5.708) 5.987 5.616 ( 1.758 0.903 -2.799) 3.427 5.746 ( -4.911 -3.885 -4.958) 7.987 5.822 ( -4.866 0.430 2.038) 5.293 5.953 ( 7.548 -2.231 1.966) 8.113 6.112 ( 3.583 -2.269 1.458) 4.485 6.206 ( -2.768 5.118 -3.252) 6.665 6.659 ( 14.767 -1.804 -6.294) 16.154 8.085 ( 2.274 4.705 0.568) 5.256 8.483 ( -2.292 -0.315 0.254) 2.327 8.514 ( 7.845 3.728 3.854) 9.502 8.673 ( 1.802 3.622 -7.990) 8.955 8.748 ( 0.743 1.182 0.409) 1.455 8.966 ( 4.019 -0.833 -0.446) 4.129 9.041 ( 2.010 -2.287 -1.772) 3.522 9.119 ( 5.544 4.701 0.254) 7.274 9.372 ( -0.523 -0.923 -5.441) 5.543 9.406 ( 0.999 0.137 3.039) 3.202 9.666 ( 4.164 2.021 6.136) 7.686 9.838 ( 1.745 -2.597 -5.362) 6.208 10.069 ( -4.535 -4.229 -6.151) 8.734 10.123 ( 5.065 -12.741 3.466) 14.142 10.186 ( -3.613 -1.278 5.309) 6.548 10.447 ( -4.797 0.317 6.022) 7.705 10.609 ( -8.407 -8.738 4.330) 12.875 10.651 ( -7.739 -17.625 -1.714) 19.325 10.846 ( -8.506 -9.287 2.103) 12.768 11.057 ( -6.598 -7.176 -2.836) 10.152 20.055 ( -3.621 0.729 5.476) 6.605 20.160 ( 0.867 -0.126 -4.568) 4.652 20.331 ( 0.217 -2.192 0.680) 2.306 20.412 ( -1.019 -3.260 -3.650) 4.999 20.540 ( -2.738 -1.431 0.522) 3.133 20.682 ( -6.972 0.672 -4.026) 8.079 20.957 ( -5.528 -5.190 6.376) 9.907 21.340 ( -1.930 2.005 -3.745) 4.666 21.565 ( 3.414 4.379 7.381) 9.236 21.808 ( 9.159 5.353 -5.334) 11.874 22.314 ( -6.014 -10.211 -2.981) 12.220 22.476 ( -0.205 -2.889 0.875) 3.025 22.600 ( -2.240 4.581 -0.765) 5.157 22.789 ( -6.794 -2.167 6.653) 9.752 22.953 ( 6.377 15.043 0.445) 16.345 23.310 ( 8.820 21.574 -10.519) 25.572 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -10.763 10.668 16.768) 22.601 1.002 ( -9.052 13.064 18.068) 24.064 1.334 ( -3.897 6.011 -9.855) 12.184 1.468 ( -4.267 7.569 -1.292) 8.784 1.743 ( -10.008 16.445 20.079) 27.817 1.880 ( 3.526 10.413 -3.213) 11.454 1.965 ( 0.796 3.120 7.878) 8.511 2.036 ( 2.754 0.883 0.022) 2.892 2.134 ( 3.956 -0.653 -0.135) 4.012 2.325 ( 1.508 -7.436 -1.549) 7.744 2.476 ( 1.867 2.490 2.463) 3.969 2.616 ( 4.295 2.370 -1.992) 5.294 2.633 ( 3.388 0.600 4.301) 5.508 2.690 ( -0.213 6.951 -0.449) 6.969 2.779 ( 4.556 -2.669 -3.339) 6.247 2.816 ( 0.084 6.912 1.643) 7.106 2.919 ( -1.117 3.664 -5.685) 6.855 2.980 ( 4.153 2.436 -1.424) 5.021 3.002 ( 1.019 4.773 3.606) 6.068 3.105 ( -2.470 7.551 -2.418) 8.305 3.143 ( -1.438 2.272 -5.183) 5.839 3.224 ( -1.286 0.657 -7.763) 7.896 3.662 ( -4.416 0.677 6.694) 8.048 3.749 ( -0.710 0.037 -6.607) 6.645 3.849 ( -2.848 -3.653 -0.838) 4.707 3.959 ( -1.947 -3.985 2.014) 4.871 4.047 ( -2.931 2.790 -9.732) 10.540 4.122 ( -3.458 3.982 0.355) 5.286 4.258 ( -3.000 -1.517 8.802) 9.422 4.405 ( 1.804 2.542 -2.523) 4.010 4.565 ( 5.458 -4.385 -2.795) 7.539 4.681 ( 0.950 0.467 2.629) 2.834 4.767 ( -5.546 -0.221 2.427) 6.058 4.868 ( -0.072 -1.049 -1.530) 1.856 4.959 ( -1.754 -1.957 -1.585) 3.069 4.993 ( -3.544 1.983 -0.128) 4.063 5.037 ( -3.093 -5.042 -0.330) 5.924 5.118 ( 2.071 2.124 -0.853) 3.087 5.253 ( 3.165 0.857 3.403) 4.726 5.301 ( -1.245 2.806 5.687) 6.463 5.496 ( -2.829 -1.437 -4.702) 5.673 5.543 ( -6.217 2.074 3.133) 7.264 5.653 ( 0.675 0.495 -7.367) 7.414 5.745 ( -4.739 2.193 -1.256) 5.371 6.061 ( 1.035 5.382 -3.972) 6.769 6.180 ( 7.146 -1.510 1.814) 7.526 6.284 ( 6.118 -1.175 7.883) 10.048 6.799 ( 8.971 -5.938 -9.867) 14.597 8.169 ( 4.282 3.841 3.192) 6.579 8.404 ( -4.733 -1.697 -1.224) 5.175 8.564 ( -4.068 7.341 -3.931) 9.267 8.680 ( 2.413 6.125 1.996) 6.880 8.752 ( 2.946 -1.360 -0.131) 3.247 9.072 ( 4.321 -1.712 0.185) 4.652 9.117 ( 9.979 0.750 1.994) 10.204 9.315 ( 0.470 -0.819 -1.154) 1.492 9.335 ( 9.136 -2.907 6.135) 11.382 9.426 ( -0.267 2.453 -0.900) 2.626 9.746 ( -6.292 -3.776 -9.095) 11.686 9.795 ( 2.482 1.928 8.405) 8.973 9.929 ( -6.968 -4.185 3.148) 8.716 10.084 ( -6.698 -0.533 3.431) 7.544 10.262 ( 3.152 -6.868 -4.463) 8.777 10.402 ( -5.500 -9.208 0.338) 10.731 10.513 ( 0.541 -9.454 -2.727) 9.855 10.563 ( -3.407 -6.848 3.606) 8.457 10.748 ( -4.302 -9.827 0.351) 10.733 10.878 ( -7.877 -9.232 -4.081) 12.804 20.035 ( -3.740 0.965 4.806) 6.166 20.129 ( 0.606 0.177 -4.865) 4.906 20.318 ( -1.130 -1.470 -2.155) 2.843 20.358 ( -3.033 0.968 -0.682) 3.256 20.486 ( -3.458 -3.098 -0.418) 4.662 20.591 ( 0.501 -4.452 0.020) 4.480 20.928 ( -5.238 -7.591 9.825) 13.476 21.249 ( -2.553 -0.740 -6.138) 6.688 21.676 ( 0.442 3.989 8.053) 8.998 21.880 ( 5.122 4.460 -6.690) 9.533 22.244 ( 0.557 -7.735 2.994) 8.313 22.468 ( -1.149 -3.780 -0.396) 3.971 22.574 ( -0.254 4.576 0.430) 4.603 22.716 ( -6.437 -1.386 3.257) 7.346 23.068 ( 3.976 16.396 2.707) 17.087 23.347 ( 7.960 30.247 -15.143) 34.749 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -3.396 16.321 10.902) 19.919 1.326 ( 1.143 11.206 10.395) 15.328 1.380 ( 0.801 10.937 -2.576) 11.265 1.572 ( 4.671 6.078 -7.183) 10.504 1.934 ( -3.029 -4.943 -0.254) 5.803 1.970 ( 2.003 -1.155 -2.881) 3.694 2.104 ( 0.709 -8.824 3.173) 9.404 2.179 ( 0.107 -3.573 -3.103) 4.734 2.225 ( 3.118 11.298 5.885) 13.115 2.251 ( -0.091 14.565 4.128) 15.139 2.598 ( 1.364 -0.638 2.163) 2.636 2.645 ( -2.659 1.320 -1.812) 3.478 2.685 ( -1.841 3.143 6.723) 7.646 2.729 ( -2.922 6.574 3.666) 8.074 2.818 ( 1.155 2.480 -2.269) 3.554 2.903 ( -1.344 1.480 -4.779) 5.181 2.951 ( 1.782 0.678 -0.320) 1.933 2.989 ( -0.921 5.318 -3.783) 6.590 3.080 ( -1.705 0.043 2.762) 3.246 3.148 ( 1.075 3.845 -3.543) 5.338 3.266 ( -2.118 14.775 1.490) 15.000 3.360 ( 0.592 15.148 -7.588) 16.953 3.582 ( -0.545 -0.935 1.924) 2.208 3.645 ( -0.686 -4.275 -3.121) 5.337 3.883 ( 1.763 8.177 4.625) 9.559 3.985 ( -1.472 5.093 -5.033) 7.311 4.122 ( 6.287 1.480 3.149) 7.186 4.163 ( -5.364 2.569 -0.285) 5.954 4.311 ( -1.429 2.105 5.433) 5.999 4.407 ( 2.725 -3.317 -3.579) 5.589 4.570 ( 2.471 0.534 1.514) 2.946 4.629 ( -4.419 0.490 -4.233) 6.138 4.760 ( 1.865 -1.213 1.726) 2.816 4.793 ( -0.912 -1.670 -1.327) 2.320 4.904 ( -1.987 -4.067 2.847) 5.347 4.938 ( 2.169 -1.961 0.159) 2.928 4.995 ( -2.763 2.409 1.001) 3.800 5.061 ( 1.515 -1.561 -3.916) 4.480 5.377 ( -2.022 0.530 4.389) 4.861 5.403 ( 4.343 4.387 2.370) 6.612 5.477 ( -0.894 2.254 2.789) 3.696 5.553 ( -1.642 2.301 3.821) 4.753 5.642 ( 1.920 5.014 -8.038) 9.666 5.692 ( -0.154 4.630 -8.916) 10.047 6.202 ( 2.323 4.809 -0.049) 5.341 6.223 ( -0.944 3.600 -1.745) 4.111 6.371 ( 0.336 -9.841 10.534) 14.420 6.587 ( 0.804 -13.883 -11.295) 17.916 8.274 ( -2.484 2.661 3.744) 5.222 8.341 ( 1.172 3.021 -2.780) 4.269 8.643 ( -2.598 -0.389 1.109) 2.851 8.657 ( -0.029 -0.540 0.062) 0.544 8.884 ( 2.762 -1.648 5.174) 6.092 8.984 ( -2.667 -1.960 -4.670) 5.724 9.251 ( -1.462 -5.393 7.637) 9.463 9.318 ( 2.142 1.339 0.562) 2.588 9.436 ( -0.255 4.422 2.528) 5.100 9.471 ( -0.542 5.437 -1.015) 5.557 9.658 ( 7.329 -4.811 1.594) 8.911 9.729 ( -7.914 -6.999 -4.600) 11.522 9.905 ( -2.248 -1.743 3.735) 4.694 9.941 ( 3.349 -6.166 -1.117) 7.105 10.091 ( -0.396 -6.526 2.796) 7.111 10.217 ( 4.979 -4.864 -9.443) 11.731 10.283 ( -4.204 -13.939 5.794) 15.670 10.397 ( 3.552 -13.531 -5.671) 15.095 10.540 ( 0.143 -3.393 0.928) 3.520 10.572 ( -3.271 -5.472 -2.691) 6.919 20.037 ( -2.750 1.285 4.098) 5.100 20.097 ( 0.047 -0.455 -1.560) 1.625 20.280 ( -2.300 0.393 0.435) 2.373 20.299 ( 2.203 -0.402 -1.242) 2.561 20.498 ( 4.142 0.258 2.835) 5.026 20.556 ( -1.155 -0.143 -2.559) 2.811 20.865 ( -0.016 -4.023 10.621) 11.358 21.067 ( -0.149 -6.631 -9.860) 11.883 21.834 ( -1.969 5.857 7.687) 9.862 21.967 ( 2.488 3.690 -5.591) 7.146 22.220 ( 1.516 -5.294 3.538) 6.545 22.289 ( -2.051 -6.366 -3.018) 7.338 22.697 ( 0.997 5.707 0.991) 5.878 22.711 ( -1.234 5.282 -0.229) 5.429 23.483 ( -1.454 17.759 7.680) 19.403 23.710 ( 2.786 13.518 -16.151) 21.245 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 4.504 13.043 7.070) 15.504 1.416 ( 5.494 11.848 -4.823) 13.922 1.481 ( 6.568 8.735 4.560) 11.842 1.579 ( 6.851 8.883 -12.872) 17.074 1.897 ( -1.206 -2.966 1.467) 3.522 1.973 ( -1.474 -2.980 -0.437) 3.353 2.083 ( -3.262 -5.085 0.861) 6.103 2.126 ( -3.706 -7.025 -3.431) 8.652 2.244 ( 0.442 8.691 -3.934) 9.550 2.319 ( 1.362 9.314 2.078) 9.639 2.567 ( -4.117 -1.635 -0.825) 4.506 2.654 ( 1.417 2.833 4.335) 5.369 2.678 ( -5.228 7.388 1.356) 9.152 2.698 ( -3.446 5.232 4.494) 7.710 2.824 ( -1.558 -0.535 4.149) 4.464 2.835 ( 1.194 4.022 -5.326) 6.780 2.964 ( 1.537 7.022 -1.906) 7.437 2.996 ( 1.768 1.690 1.842) 3.062 3.088 ( -1.437 2.573 4.331) 5.239 3.140 ( 1.179 2.308 -2.333) 3.487 3.253 ( -1.093 14.604 1.918) 14.770 3.354 ( 2.116 15.193 -0.712) 15.356 3.615 ( 1.189 -2.967 3.199) 4.522 3.662 ( 4.023 -0.999 -0.845) 4.230 3.910 ( -0.236 3.314 -2.504) 4.160 3.991 ( 3.611 7.971 4.739) 9.952 4.024 ( -5.614 1.161 -3.727) 6.838 4.258 ( 4.273 2.422 -0.836) 4.982 4.298 ( -4.668 -0.694 5.491) 7.241 4.411 ( 3.037 -1.821 -7.036) 7.877 4.511 ( -4.200 2.626 -0.756) 5.011 4.659 ( 2.408 -1.207 3.073) 4.086 4.778 ( 1.404 -1.636 -1.454) 2.600 4.813 ( 1.839 -0.911 0.684) 2.163 4.896 ( 0.562 -2.053 0.337) 2.155 4.982 ( 1.912 -1.476 0.443) 2.455 4.998 ( 2.356 -2.821 2.664) 4.539 5.088 ( 3.820 -0.957 -1.621) 4.258 5.387 ( 4.376 4.711 -2.428) 6.873 5.461 ( -2.140 6.065 0.014) 6.431 5.512 ( -2.296 3.548 7.904) 8.963 5.575 ( 1.251 4.798 -4.494) 6.692 5.606 ( 3.960 1.968 -3.539) 5.664 5.717 ( 8.169 -0.460 0.200) 8.185 6.146 ( -3.680 6.803 -0.577) 7.756 6.225 ( -0.869 1.753 -2.443) 3.130 6.357 ( -7.968 -12.527 0.142) 14.847 6.456 ( -5.737 -9.246 -1.401) 10.971 8.260 ( -2.003 3.573 2.949) 5.047 8.378 ( 2.651 1.283 -0.899) 3.079 8.630 ( 1.029 4.284 4.267) 6.133 8.679 ( -0.194 -0.975 0.915) 1.351 8.848 ( -4.392 2.746 -4.419) 6.809 8.950 ( -2.819 -3.838 4.973) 6.885 9.204 ( -6.290 0.246 -0.726) 6.337 9.321 ( -2.523 -0.911 -4.174) 4.962 9.405 ( -13.869 0.235 -1.392) 13.941 9.468 ( 0.671 1.983 1.872) 2.808 9.558 ( 7.668 0.986 2.893) 8.254 9.851 ( -5.447 -12.688 4.964) 14.673 9.893 ( 0.785 -7.832 -2.012) 8.124 9.917 ( -0.183 -6.684 -3.786) 7.684 10.119 ( 5.243 -5.665 -0.805) 7.761 10.210 ( 2.477 -5.677 -2.980) 6.873 10.290 ( 0.792 -9.820 3.907) 10.599 10.446 ( 7.889 -13.780 -5.487) 16.800 10.617 ( 9.574 -5.100 4.283) 11.663 10.642 ( 6.044 -4.025 -0.189) 7.264 20.042 ( -1.359 0.859 4.664) 4.933 20.106 ( 1.432 -1.138 0.127) 1.833 20.279 ( 1.129 1.386 -0.003) 1.788 20.381 ( 7.314 -0.489 0.065) 7.331 20.451 ( -4.196 -0.314 -3.759) 5.642 20.565 ( 0.925 -0.388 -0.735) 1.244 21.010 ( 4.625 -2.751 -0.028) 5.381 21.051 ( 7.709 -5.598 -0.314) 9.532 21.829 ( -5.047 5.667 4.322) 8.733 21.956 ( 1.727 5.219 -4.994) 7.427 22.158 ( -5.661 -5.797 0.064) 8.103 22.333 ( 3.878 -7.409 1.048) 8.429 22.693 ( 0.341 6.450 -0.364) 6.469 22.754 ( 3.668 3.810 0.917) 5.367 23.450 ( -8.818 18.091 3.982) 20.516 23.602 ( -1.543 12.822 -6.626) 14.515 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 3.534 9.514 -3.380) 10.697 1.468 ( 5.165 11.465 -5.505) 13.727 1.570 ( 5.041 8.144 -12.265) 15.562 1.646 ( 9.187 7.904 2.677) 12.412 1.838 ( -9.723 -2.697 0.507) 10.103 1.918 ( 1.200 -2.024 -5.203) 5.710 1.984 ( -7.610 -0.841 1.902) 7.889 2.086 ( 0.605 -3.024 0.275) 3.096 2.249 ( 3.775 5.466 0.870) 6.700 2.328 ( -3.090 5.947 3.254) 7.450 2.470 ( -5.940 -0.530 -1.820) 6.235 2.561 ( -6.395 7.202 -0.291) 9.636 2.688 ( -2.695 5.867 1.708) 6.678 2.701 ( 0.285 1.664 0.824) 1.879 2.793 ( -3.771 0.178 -0.683) 3.837 2.839 ( 2.024 0.071 -0.422) 2.068 2.998 ( 2.912 7.548 -0.855) 8.136 3.021 ( -0.302 0.589 0.622) 0.908 3.111 ( -0.453 5.868 6.104) 8.479 3.199 ( 5.450 6.286 0.965) 8.375 3.218 ( -1.483 12.628 -1.328) 12.784 3.413 ( 0.920 13.301 3.642) 13.822 3.634 ( -2.678 -2.743 0.709) 3.899 3.685 ( -1.304 0.875 -1.084) 1.908 3.938 ( 2.089 0.354 3.845) 4.390 4.008 ( 6.203 1.851 2.656) 6.997 4.105 ( 2.964 2.689 3.855) 5.557 4.230 ( -2.925 3.215 0.664) 4.397 4.290 ( -1.066 -1.857 0.293) 2.162 4.386 ( 1.559 0.398 -7.844) 8.007 4.459 ( -0.189 3.559 -0.880) 3.671 4.671 ( -0.207 -0.023 -1.551) 1.565 4.839 ( 2.479 -0.480 1.886) 3.152 4.847 ( 2.946 -4.062 1.053) 5.127 4.944 ( 4.341 -4.021 -0.896) 5.985 5.061 ( 5.501 -5.351 -1.939) 7.915 5.084 ( 3.979 1.184 3.897) 5.694 5.167 ( 5.793 2.649 -0.978) 6.444 5.353 ( -2.326 7.054 -1.769) 7.635 5.476 ( -0.513 3.476 -2.034) 4.060 5.558 ( 8.478 8.566 -0.244) 12.055 5.604 ( 0.239 1.798 5.481) 5.773 5.679 ( 3.864 1.170 -0.544) 4.074 5.840 ( 5.533 -4.566 -3.605) 8.028 6.052 ( -7.016 -2.485 -10.769) 13.091 6.098 ( -2.266 2.123 0.120) 3.107 6.277 ( -1.161 2.484 -1.383) 3.071 6.366 ( -7.457 -10.413 9.708) 16.071 8.219 ( -3.483 5.245 -0.985) 6.373 8.422 ( -0.167 1.270 4.604) 4.779 8.653 ( -2.527 4.321 2.141) 5.445 8.704 ( -8.395 5.449 -4.744) 11.075 8.746 ( 2.669 3.715 5.839) 7.418 8.886 ( -8.704 -1.425 3.108) 9.351 9.035 ( -1.722 -4.891 -5.623) 7.649 9.196 ( -7.214 1.613 3.472) 8.167 9.295 ( -2.496 3.548 0.696) 4.393 9.475 ( -0.673 2.450 -0.741) 2.647 9.665 ( -1.182 -5.781 1.584) 6.109 9.721 ( -8.407 -4.448 3.925) 10.289 9.808 ( -5.856 -11.227 0.683) 12.681 9.919 ( 4.326 -16.869 -5.919) 18.393 10.229 ( 4.482 -12.285 1.495) 13.162 10.239 ( 2.997 -8.476 -2.515) 9.336 10.420 ( 9.993 -5.170 0.880) 11.285 10.594 ( 12.306 -10.123 -7.693) 17.694 10.741 ( 7.051 -3.781 -1.098) 8.076 10.859 ( 10.706 -6.348 2.965) 12.795 20.065 ( -1.371 0.444 5.043) 5.245 20.139 ( 1.674 -1.933 0.262) 2.570 20.283 ( -0.276 0.941 -2.458) 2.646 20.374 ( -1.065 -0.317 -1.129) 1.584 20.537 ( 5.181 -0.160 -0.087) 5.185 20.590 ( 7.891 -2.034 0.968) 8.206 21.071 ( 5.809 0.864 -5.693) 8.179 21.222 ( 5.787 -2.778 4.468) 7.821 21.746 ( -6.278 6.046 1.043) 8.778 21.912 ( -2.859 7.327 -2.552) 8.268 22.111 ( -0.122 -7.222 2.412) 7.616 22.392 ( 2.454 -7.827 -0.934) 8.256 22.716 ( 2.368 7.388 -0.130) 7.759 22.838 ( 4.785 2.073 0.047) 5.215 23.284 ( -9.863 17.168 -0.285) 19.801 23.509 ( -6.226 10.631 0.278) 12.323 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.635 9.536 -7.313) 12.034 1.507 ( 4.706 9.726 -3.680) 11.414 1.566 ( 3.256 5.902 -3.585) 7.635 1.676 ( -8.624 -0.626 4.170) 9.600 1.801 ( -3.234 -0.664 -2.019) 3.870 1.831 ( 5.753 1.808 -4.932) 7.790 1.943 ( -1.379 9.742 -0.785) 9.871 2.104 ( 1.154 -3.640 0.588) 3.864 2.262 ( -3.204 0.639 -3.545) 4.821 2.312 ( -9.106 5.642 0.360) 10.719 2.379 ( 4.654 6.131 5.069) 9.217 2.470 ( -4.248 1.184 -1.001) 4.522 2.567 ( -7.993 2.662 -2.768) 8.867 2.686 ( -4.053 1.275 -0.579) 4.289 2.736 ( 0.839 3.244 1.700) 3.758 2.893 ( 2.942 1.358 -3.483) 4.757 2.996 ( -0.962 7.916 3.289) 8.626 3.054 ( 1.072 3.410 2.060) 4.126 3.167 ( 0.945 4.495 3.784) 5.951 3.212 ( 3.000 9.863 -1.235) 10.383 3.338 ( 5.825 10.129 0.650) 11.703 3.412 ( -1.154 6.748 1.832) 7.086 3.596 ( -4.373 -1.763 2.050) 5.141 3.616 ( -4.034 0.263 2.108) 4.559 4.064 ( -1.595 2.331 8.004) 8.488 4.101 ( 4.221 0.352 3.636) 5.583 4.133 ( 0.055 1.171 -1.167) 1.654 4.230 ( 1.465 2.885 -0.237) 3.245 4.314 ( 1.970 0.217 -0.162) 1.989 4.349 ( 2.634 1.999 -1.765) 3.748 4.483 ( 3.790 1.831 -2.603) 4.949 4.666 ( 1.036 1.738 -1.938) 2.801 4.862 ( 0.796 -2.697 0.155) 2.816 4.960 ( 4.946 -1.470 3.354) 6.154 4.985 ( 2.184 -4.236 -2.079) 5.199 5.112 ( 3.236 -2.570 -1.790) 4.503 5.192 ( 3.999 0.715 -0.207) 4.067 5.280 ( 6.366 5.335 -1.630) 8.465 5.315 ( 0.872 5.713 1.707) 6.026 5.512 ( 4.174 2.029 -0.744) 4.700 5.581 ( -1.880 -0.207 -4.201) 4.607 5.674 ( 0.801 4.191 -2.796) 5.102 5.741 ( 6.543 -0.370 -1.689) 6.768 5.839 ( -4.217 -3.374 -3.587) 6.483 5.917 ( 2.705 -4.495 -2.903) 5.996 6.077 ( -0.397 5.424 -0.778) 5.494 6.226 ( -5.256 -4.260 5.347) 8.623 6.353 ( -1.864 1.802 1.126) 2.826 8.159 ( -1.405 4.751 0.201) 4.958 8.379 ( -8.582 -0.637 -0.228) 8.608 8.507 ( -6.087 2.661 3.665) 7.587 8.639 ( -2.918 9.631 2.253) 10.312 8.776 ( -5.058 -3.597 6.307) 8.849 8.806 ( -5.602 4.499 2.743) 7.691 9.027 ( 4.695 1.570 -0.630) 4.991 9.152 ( -0.749 1.665 1.221) 2.196 9.291 ( -2.215 2.638 4.976) 6.052 9.418 ( -3.710 -0.365 -1.749) 4.118 9.601 ( -1.305 -5.534 -1.987) 6.023 9.678 ( -1.374 -5.448 3.042) 6.390 9.718 ( -6.540 -12.070 4.697) 14.509 9.987 ( 6.196 -15.740 -1.598) 16.991 10.228 ( -1.320 -5.390 -4.484) 7.134 10.303 ( 3.501 -17.380 -1.320) 17.778 10.607 ( 10.222 -7.273 -1.994) 12.703 10.697 ( 7.003 -6.748 -6.204) 11.535 10.880 ( 9.131 -6.671 -3.667) 11.888 11.019 ( 5.595 -6.401 -1.273) 8.597 20.078 ( -2.310 0.043 4.741) 5.274 20.159 ( 0.948 -1.766 -1.473) 2.487 20.259 ( -0.084 -1.169 -0.489) 1.270 20.348 ( -0.500 -2.090 -1.929) 2.887 20.643 ( 7.774 2.602 1.001) 8.259 20.810 ( 9.826 1.263 5.664) 11.411 21.095 ( 2.371 1.509 -5.296) 5.996 21.306 ( -1.170 -1.389 3.758) 4.174 21.644 ( -4.984 7.569 0.512) 9.077 21.834 ( -2.286 9.475 -3.471) 10.346 22.168 ( 1.740 -10.374 4.734) 11.535 22.409 ( 1.617 -8.188 -3.152) 8.921 22.774 ( 3.858 8.380 0.177) 9.227 22.922 ( 4.416 2.400 -0.360) 5.039 23.116 ( -8.039 15.328 0.044) 17.309 23.380 ( -7.356 7.463 -0.964) 10.523 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 7.079 8.640 -0.546) 11.183 1.578 ( 2.250 6.881 0.133) 7.241 1.613 ( 0.668 2.644 4.717) 5.448 1.641 ( -5.425 4.254 8.851) 11.219 1.691 ( 2.254 -0.795 -6.689) 7.103 1.830 ( -0.805 3.669 0.206) 3.762 1.884 ( -1.082 2.353 -9.513) 9.859 2.066 ( -4.223 -2.748 -5.949) 7.796 2.138 ( -3.700 1.905 -0.845) 4.246 2.249 ( -11.170 1.251 -4.700) 12.183 2.305 ( 6.113 4.043 -1.662) 7.515 2.453 ( -2.506 3.874 -3.405) 5.734 2.528 ( 4.120 5.203 4.237) 7.874 2.624 ( -2.331 5.726 0.547) 6.206 2.777 ( -0.886 2.661 3.627) 4.584 2.863 ( 0.102 4.571 -4.453) 6.382 3.029 ( -2.593 4.639 5.892) 7.934 3.090 ( 3.008 7.535 -1.579) 8.266 3.236 ( 3.004 0.340 3.549) 4.662 3.302 ( 6.173 9.744 2.125) 11.729 3.351 ( -0.123 4.743 0.466) 4.768 3.406 ( -9.681 4.323 3.159) 11.063 3.547 ( 4.026 3.246 0.009) 5.172 3.609 ( -2.046 4.963 1.929) 5.704 4.057 ( -4.065 -0.909 4.976) 6.490 4.094 ( -3.071 3.570 2.164) 5.183 4.221 ( 3.524 0.078 0.844) 3.625 4.260 ( 3.855 2.064 -2.812) 5.199 4.312 ( -0.751 3.177 0.809) 3.363 4.431 ( 4.256 0.385 -2.550) 4.976 4.532 ( 2.677 -0.409 0.884) 2.849 4.649 ( -0.896 2.102 -1.959) 3.010 4.886 ( 1.589 -3.008 0.998) 3.546 4.993 ( 1.054 -0.328 -3.040) 3.234 5.079 ( 1.435 -0.989 5.563) 5.829 5.138 ( 2.033 -0.012 -2.111) 2.931 5.236 ( 3.477 2.631 -0.377) 4.376 5.353 ( 4.655 0.516 2.877) 5.497 5.435 ( -2.531 3.101 -1.674) 4.339 5.460 ( 3.341 2.258 -5.303) 6.662 5.554 ( 1.494 1.914 -2.296) 3.342 5.640 ( -2.968 5.797 -3.431) 7.361 5.736 ( 0.129 -0.931 -3.737) 3.853 5.830 ( 2.041 -5.937 -1.035) 6.363 5.877 ( -3.060 -4.906 -0.242) 5.787 6.066 ( -8.180 -4.676 0.219) 9.425 6.189 ( 5.055 6.236 0.741) 8.061 6.339 ( -0.594 2.592 -1.333) 2.975 8.192 ( 3.031 3.193 2.528) 5.077 8.256 ( -3.477 0.129 0.933) 3.602 8.476 ( -3.981 2.602 5.138) 7.001 8.561 ( -4.824 6.329 -0.398) 7.968 8.751 ( -1.664 3.284 3.736) 5.245 8.771 ( -1.007 -0.217 4.554) 4.669 9.117 ( 4.261 0.609 -4.924) 6.540 9.161 ( -3.893 3.744 2.880) 6.121 9.263 ( 0.621 0.384 4.403) 4.464 9.387 ( -1.741 -0.219 3.802) 4.187 9.596 ( 2.449 -5.042 -2.214) 6.027 9.647 ( -4.841 -6.861 2.106) 8.657 9.732 ( 3.100 -7.076 5.396) 9.423 10.035 ( -2.627 -3.973 -5.304) 7.129 10.172 ( 2.556 -18.211 0.079) 18.390 10.318 ( 0.296 -16.828 -3.615) 17.214 10.723 ( 2.099 -8.869 -0.773) 9.147 10.752 ( 5.650 -6.946 -4.693) 10.109 10.970 ( 4.661 -7.251 -3.597) 9.340 11.039 ( -0.471 -6.517 -3.730) 7.524 20.075 ( -2.611 -0.099 4.569) 5.264 20.153 ( 0.842 -1.622 -2.560) 3.146 20.266 ( -0.049 -2.502 1.570) 2.955 20.328 ( 0.610 -2.966 -2.423) 3.878 20.809 ( 7.072 5.198 3.217) 9.348 20.964 ( -0.747 7.772 1.408) 7.934 21.114 ( 6.636 -2.592 -0.184) 7.126 21.259 ( -5.385 -0.674 0.926) 5.506 21.600 ( -2.525 8.741 3.925) 9.909 21.759 ( -0.331 10.529 -7.125) 12.717 22.237 ( -0.202 -12.361 6.355) 13.901 22.396 ( 1.081 -9.114 -4.774) 10.346 22.851 ( 4.330 9.746 0.208) 10.667 22.939 ( -4.044 9.409 -0.124) 10.242 23.056 ( 0.989 8.383 3.422) 9.108 23.243 ( -3.504 3.951 -5.318) 7.495 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -10.364 8.412 -4.224) 14.001 1.530 ( 2.530 4.795 1.900) 5.745 1.601 ( -5.146 3.667 4.680) 7.863 1.658 ( -3.866 3.194 5.496) 7.440 1.768 ( 1.490 1.748 -4.763) 5.288 1.836 ( 10.260 1.157 -7.822) 12.954 1.876 ( -1.742 0.566 -0.683) 1.955 1.977 ( 7.918 -1.282 0.500) 8.036 2.106 ( 0.497 0.357 0.843) 1.041 2.172 ( 6.955 -0.316 1.809) 7.193 2.353 ( -3.375 9.283 -5.433) 11.274 2.409 ( 4.690 4.231 0.689) 6.354 2.588 ( -1.630 5.192 -1.471) 5.637 2.623 ( 2.872 5.776 0.364) 6.461 2.764 ( -4.039 3.778 5.508) 7.806 2.838 ( -0.164 2.839 -2.184) 3.586 3.024 ( -2.455 6.771 4.830) 8.672 3.120 ( 2.275 6.397 -3.272) 7.537 3.243 ( -7.753 3.796 4.367) 9.675 3.297 ( -2.718 0.143 0.360) 2.746 3.359 ( 1.198 11.302 -1.258) 11.435 3.472 ( 9.803 4.261 -1.308) 10.769 3.517 ( -5.102 3.433 3.230) 6.946 3.660 ( 5.103 4.613 -2.793) 7.424 4.018 ( -6.180 2.791 8.051) 10.526 4.082 ( -1.355 1.203 2.792) 3.329 4.204 ( -1.788 0.049 -2.928) 3.431 4.295 ( -1.050 -1.731 2.266) 3.039 4.355 ( 5.334 1.972 -3.406) 6.629 4.440 ( 2.798 -0.218 -6.903) 7.452 4.547 ( -3.720 2.951 2.422) 5.330 4.636 ( 1.526 1.898 -1.858) 3.063 4.901 ( -3.825 -1.439 1.455) 4.338 4.951 ( -0.624 -1.451 -1.283) 2.035 5.090 ( -3.352 -1.051 2.357) 4.230 5.172 ( 2.737 -1.538 -3.094) 4.407 5.265 ( -6.773 3.333 -3.219) 8.207 5.316 ( 1.053 2.037 5.039) 5.536 5.426 ( -4.168 0.515 -3.341) 5.366 5.458 ( 1.261 3.358 0.057) 3.588 5.533 ( -4.673 4.204 -0.908) 6.351 5.579 ( 1.553 5.727 1.820) 6.207 5.698 ( -4.783 -0.881 -0.743) 4.920 5.799 ( 1.027 -5.041 0.530) 5.172 5.890 ( 0.440 -3.519 0.762) 3.627 6.070 ( 13.260 -6.997 -2.361) 15.178 6.210 ( -7.611 4.391 0.746) 8.818 6.333 ( 3.540 1.817 -1.517) 4.258 8.218 ( -2.408 3.036 -0.133) 3.877 8.276 ( 4.085 1.254 -0.571) 4.311 8.488 ( 1.325 4.914 4.467) 6.772 8.560 ( 6.843 4.174 -1.110) 8.092 8.791 ( 1.251 2.084 2.959) 3.829 8.797 ( 0.518 2.640 0.446) 2.727 9.049 ( -5.982 -1.020 0.939) 6.141 9.165 ( 4.117 -0.218 -0.063) 4.124 9.337 ( -2.492 0.086 0.974) 2.677 9.415 ( 5.434 1.823 1.424) 5.905 9.570 ( -4.297 -2.650 0.320) 5.058 9.654 ( 4.240 -7.061 0.115) 8.237 9.864 ( -1.093 -4.069 -1.324) 4.417 9.895 ( 2.786 -6.219 0.384) 6.825 10.220 ( -3.861 -17.981 -0.478) 18.397 10.263 ( 0.292 -17.408 -0.706) 17.425 10.679 ( -6.448 -7.926 1.508) 10.328 10.764 ( -1.076 -7.088 -4.737) 8.593 10.954 ( -5.194 -7.167 -2.050) 9.086 11.001 ( 1.109 -8.084 -0.054) 8.159 20.071 ( -2.576 0.243 4.804) 5.457 20.149 ( 1.230 -1.818 -2.257) 3.148 20.275 ( -0.742 -2.764 1.634) 3.296 20.325 ( 1.657 -3.960 -2.809) 5.130 20.832 ( -8.351 4.740 1.200) 9.677 20.964 ( 2.474 6.971 1.983) 7.658 21.125 ( -6.162 0.201 -2.779) 6.763 21.303 ( 10.451 0.849 -1.932) 10.662 21.572 ( -6.229 8.053 6.126) 11.882 21.737 ( 5.029 9.775 -4.977) 12.067 22.273 ( -2.756 -12.883 6.657) 14.761 22.361 ( 0.429 -9.642 -5.113) 10.922 22.853 ( -4.311 9.383 0.032) 10.326 22.923 ( 0.987 8.653 1.454) 8.829 23.059 ( -3.011 9.661 2.618) 10.452 23.253 ( 10.405 4.126 -5.831) 12.621 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -7.911 11.994 3.513) 14.791 1.460 ( -7.413 6.804 1.031) 10.115 1.517 ( -6.288 5.996 1.821) 8.877 1.677 ( 2.325 -0.492 2.068) 3.150 1.786 ( -1.615 -0.438 0.099) 1.676 1.840 ( 5.881 -0.709 -5.396) 8.013 1.948 ( 4.309 4.432 -0.302) 6.189 2.134 ( 5.556 -2.053 -1.116) 6.028 2.233 ( 0.995 6.939 -1.911) 7.265 2.276 ( 9.647 7.194 1.889) 12.181 2.394 ( 6.670 5.151 3.511) 9.130 2.502 ( 4.226 1.904 0.169) 4.638 2.522 ( 1.111 2.986 -2.221) 3.883 2.647 ( -2.337 7.002 3.165) 8.032 2.770 ( 0.565 3.187 0.768) 3.326 2.813 ( -0.310 0.559 1.745) 1.859 3.027 ( -1.451 6.849 0.610) 7.028 3.068 ( -6.319 11.429 1.940) 13.203 3.190 ( -1.516 4.562 -2.221) 5.295 3.224 ( -1.677 2.607 -0.932) 3.237 3.343 ( -1.422 10.232 0.851) 10.365 3.460 ( -1.694 -1.039 -2.020) 2.834 3.634 ( 6.708 -2.391 -0.152) 7.123 3.670 ( -1.124 2.631 -3.720) 4.693 4.000 ( -4.332 7.315 9.794) 12.969 4.087 ( -2.054 2.516 3.866) 5.049 4.181 ( 3.312 0.416 -3.900) 5.134 4.267 ( -2.846 -1.560 0.329) 3.263 4.348 ( -2.460 -0.688 -5.113) 5.716 4.404 ( -0.969 -3.478 -5.164) 6.301 4.505 ( 1.073 6.649 -4.710) 8.219 4.622 ( -2.595 2.770 2.072) 4.324 4.858 ( -0.562 -4.074 1.264) 4.303 4.904 ( -5.042 -1.668 2.190) 5.745 5.068 ( -2.619 -1.081 0.524) 2.881 5.081 ( -4.586 -2.536 -2.835) 5.958 5.188 ( -1.661 2.430 -1.914) 3.512 5.284 ( -6.556 2.437 -1.364) 7.126 5.353 ( -4.392 3.127 1.190) 5.522 5.446 ( 0.012 4.020 3.735) 5.488 5.459 ( -2.296 4.731 2.662) 5.894 5.647 ( 3.371 6.634 1.843) 7.666 5.727 ( -0.783 -4.352 3.571) 5.684 5.759 ( -0.857 -5.451 1.238) 5.656 5.910 ( -1.362 -5.680 -1.845) 6.125 6.082 ( -2.178 7.969 -1.066) 8.330 6.319 ( 8.427 -8.697 -3.643) 12.646 6.364 ( 6.030 2.491 -0.122) 6.525 8.172 ( -0.918 4.484 -0.970) 4.679 8.368 ( 7.412 -1.126 -0.073) 7.498 8.560 ( 2.048 6.832 1.127) 7.221 8.697 ( 5.794 7.038 -3.523) 9.773 8.804 ( 0.566 2.515 0.783) 2.694 8.869 ( 8.230 0.384 -1.202) 8.326 8.979 ( -4.157 -1.553 2.880) 5.290 9.211 ( -1.565 2.534 -1.714) 3.436 9.318 ( 3.984 0.041 1.799) 4.371 9.473 ( -2.850 0.309 -5.632) 6.320 9.553 ( 6.570 -0.516 1.509) 6.760 9.742 ( 2.392 -8.294 0.234) 8.635 9.769 ( 2.043 -12.237 -4.766) 13.290 10.018 ( -1.150 -11.739 -0.699) 11.815 10.106 ( -2.447 -8.459 3.684) 9.546 10.278 ( -0.658 -16.567 1.965) 16.696 10.538 ( -11.102 -6.352 3.704) 13.316 10.639 ( -8.381 -5.826 -0.974) 10.253 10.828 ( -7.826 -6.851 0.929) 10.442 10.998 ( -2.645 -8.844 0.747) 9.261 20.073 ( -2.397 0.862 5.253) 5.838 20.152 ( 1.176 -1.616 -2.015) 2.838 20.275 ( -0.289 -2.635 0.762) 2.759 20.329 ( 1.170 -4.809 -1.902) 5.302 20.670 ( -8.334 3.104 -1.278) 8.985 20.922 ( -10.923 -3.960 -2.600) 11.907 21.005 ( -1.829 10.259 0.672) 10.443 21.409 ( 2.724 -0.707 -6.051) 6.674 21.567 ( 1.243 8.166 7.114) 10.901 21.817 ( 6.038 8.186 -0.999) 10.221 22.243 ( -3.896 -11.788 -0.501) 12.425 22.341 ( -0.330 -9.479 1.515) 9.605 22.780 ( -3.615 7.740 -0.493) 8.557 22.876 ( -6.185 3.783 3.441) 8.026 23.121 ( 7.089 15.348 -0.439) 16.911 23.426 ( 13.235 7.627 -4.782) 16.006 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -6.878 14.897 12.256) 20.480 1.346 ( -10.454 12.271 9.118) 18.520 1.467 ( 0.833 5.736 -1.154) 5.910 1.678 ( -7.730 1.549 0.518) 7.900 1.798 ( 6.065 -2.829 2.091) 7.011 1.913 ( 5.451 -2.023 -3.634) 6.857 2.004 ( 2.165 8.955 1.139) 9.283 2.109 ( 0.289 -4.558 -4.758) 6.595 2.299 ( -2.172 6.934 2.747) 7.769 2.358 ( -2.695 11.121 -6.091) 12.963 2.437 ( 5.089 4.556 3.235) 7.558 2.546 ( 3.788 2.143 0.648) 4.400 2.638 ( -1.383 8.574 7.030) 11.173 2.704 ( 8.250 0.872 0.837) 8.338 2.753 ( 0.086 -0.173 -1.629) 1.641 2.874 ( 3.834 -1.264 -0.967) 4.151 2.953 ( -5.051 8.963 2.711) 10.639 3.037 ( 0.159 4.741 0.048) 4.744 3.142 ( -1.312 6.354 0.897) 6.550 3.203 ( -0.016 7.859 -2.486) 8.243 3.306 ( -2.441 0.036 -3.198) 4.023 3.452 ( 0.578 12.168 -0.394) 12.188 3.624 ( 0.928 -4.331 -0.151) 4.432 3.690 ( 0.822 -2.942 1.121) 3.254 3.998 ( -3.919 7.917 -0.671) 8.859 4.036 ( -6.304 3.898 -0.283) 7.417 4.199 ( -2.754 -0.186 0.606) 2.827 4.225 ( 1.751 -0.149 -4.191) 4.544 4.247 ( -3.681 2.290 0.925) 4.433 4.362 ( 2.976 -5.980 -3.946) 7.758 4.485 ( 1.131 5.495 -2.327) 6.074 4.621 ( 0.728 0.657 2.206) 2.414 4.830 ( -6.519 -3.102 3.576) 8.056 4.874 ( 1.120 -2.585 -0.701) 2.903 4.953 ( -3.398 -3.287 -3.313) 5.773 5.044 ( -4.376 -3.541 0.611) 5.662 5.139 ( -6.464 4.082 1.236) 7.744 5.150 ( -0.962 1.477 -2.674) 3.202 5.318 ( -1.086 4.821 2.181) 5.401 5.393 ( -5.929 7.306 4.366) 10.372 5.543 ( 0.645 2.256 2.239) 3.243 5.640 ( -3.954 1.964 1.636) 4.708 5.716 ( 2.659 -0.132 -3.510) 4.405 5.795 ( -0.710 -2.099 1.042) 2.449 5.904 ( 3.976 -3.326 2.440) 5.729 6.113 ( 4.312 2.854 -0.153) 5.173 6.290 ( -1.459 3.256 -2.477) 4.343 6.532 ( 10.061 -11.591 -7.012) 16.874 8.187 ( 2.126 5.824 1.454) 6.368 8.493 ( 1.198 0.772 -1.051) 1.771 8.614 ( 5.636 5.697 3.681) 8.819 8.712 ( 1.688 1.541 -3.628) 4.287 8.803 ( -2.857 4.107 1.694) 5.282 8.918 ( -0.441 -2.899 -0.469) 2.969 9.006 ( 4.231 -0.154 -3.008) 5.193 9.234 ( 7.085 5.692 -0.569) 9.106 9.360 ( -2.675 -0.314 -3.654) 4.540 9.423 ( 3.626 2.311 2.225) 4.841 9.701 ( 7.566 0.107 0.188) 7.569 9.730 ( 0.931 -8.837 -2.254) 9.167 9.809 ( -3.771 -16.453 4.741) 17.533 9.938 ( 4.521 -13.966 -9.129) 17.287 10.149 ( -1.417 -4.717 6.252) 7.959 10.263 ( -3.346 -15.149 -1.978) 15.639 10.382 ( -9.100 -5.460 6.448) 12.418 10.477 ( -9.838 -7.752 1.930) 12.673 10.716 ( -4.827 -2.689 1.552) 5.739 10.901 ( -7.823 -8.534 -1.452) 11.668 20.076 ( -3.103 1.412 5.355) 6.348 20.149 ( 0.864 -0.994 -2.924) 3.207 20.282 ( 1.136 -2.480 -0.809) 2.845 20.344 ( 0.936 -3.785 1.863) 4.322 20.533 ( -4.870 0.731 -0.755) 4.982 20.653 ( -13.330 -3.121 -4.961) 14.561 20.965 ( -5.836 5.504 4.697) 9.296 21.331 ( -3.773 -2.700 -5.846) 7.463 21.681 ( 3.017 7.373 5.725) 9.810 21.918 ( 5.722 5.794 -1.539) 8.287 22.158 ( -2.618 -7.255 -2.323) 8.055 22.358 ( -0.504 -9.011 2.451) 9.352 22.717 ( -2.664 7.083 -0.330) 7.575 22.807 ( -4.729 3.209 2.854) 6.388 23.260 ( 7.424 17.048 1.006) 18.622 23.620 ( 14.427 10.308 -8.960) 19.866 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -6.445 15.354 12.189) 20.637 1.270 ( -8.010 15.200 13.454) 21.822 1.469 ( -3.750 7.356 -3.891) 9.127 1.543 ( -1.039 2.353 0.773) 2.686 1.926 ( 4.646 -0.425 0.858) 4.744 1.964 ( 2.101 -6.097 -1.129) 6.547 2.059 ( -0.215 -0.577 4.354) 4.398 2.108 ( 3.697 3.974 0.023) 5.428 2.212 ( -2.597 3.046 -2.345) 4.639 2.268 ( -5.091 16.685 2.652) 17.645 2.547 ( 3.246 -0.344 1.316) 3.519 2.619 ( 1.428 6.686 5.118) 8.541 2.680 ( 0.423 3.011 2.031) 3.657 2.741 ( 0.675 0.025 -1.250) 1.421 2.810 ( 2.878 3.515 -3.042) 5.467 2.918 ( 2.054 -2.519 -2.501) 4.101 2.921 ( 0.213 3.764 2.458) 4.500 3.037 ( -0.210 2.216 -1.281) 2.568 3.125 ( -3.616 1.314 -0.362) 3.865 3.175 ( 0.256 7.836 -3.598) 8.627 3.258 ( 1.162 9.167 -0.229) 9.243 3.436 ( -0.797 17.172 -3.753) 17.596 3.621 ( -3.053 -3.082 0.268) 4.346 3.708 ( -0.270 -3.478 -4.393) 5.610 3.876 ( -4.857 4.840 0.379) 6.867 3.955 ( 1.453 2.392 1.398) 3.128 4.129 ( -2.664 5.659 -7.382) 9.675 4.199 ( -1.413 3.596 4.399) 5.855 4.265 ( -0.349 0.981 6.199) 6.285 4.399 ( 2.540 -5.829 -3.530) 7.273 4.513 ( 3.079 3.189 -0.467) 4.457 4.679 ( 2.583 -1.086 0.890) 2.940 4.754 ( -3.218 -1.270 0.916) 3.579 4.852 ( -3.624 -0.871 -2.937) 4.746 4.900 ( 1.362 -2.979 -0.235) 3.284 4.940 ( -5.311 -4.420 1.082) 6.994 5.055 ( -4.337 3.998 1.227) 6.025 5.112 ( -1.597 -2.436 -3.922) 4.886 5.331 ( -0.408 4.749 4.289) 6.412 5.357 ( -2.385 4.601 4.959) 7.173 5.513 ( -2.827 4.244 0.926) 5.182 5.599 ( -4.276 3.153 1.345) 5.481 5.675 ( 0.814 1.228 -7.059) 7.211 5.771 ( 0.132 1.917 -5.743) 6.056 6.110 ( 9.816 -5.931 7.931) 13.944 6.170 ( 2.678 4.622 -2.873) 6.065 6.278 ( 1.304 1.153 1.620) 2.378 6.607 ( 7.025 -14.331 -9.498) 18.572 8.248 ( 1.509 4.544 2.819) 5.556 8.414 ( -4.501 2.859 -2.927) 6.083 8.684 ( -4.231 4.793 -0.461) 6.410 8.694 ( -0.956 -4.839 -0.016) 4.933 8.785 ( 3.105 4.280 1.215) 5.426 9.007 ( 1.591 -4.606 3.746) 6.146 9.075 ( 9.696 -3.550 3.022) 10.759 9.317 ( 0.049 1.206 -1.678) 2.067 9.383 ( 6.427 6.429 1.996) 9.307 9.478 ( 0.824 3.909 0.569) 4.035 9.618 ( -6.213 -9.169 -2.494) 11.353 9.820 ( 0.986 -4.486 4.639) 6.528 9.847 ( 2.456 -0.397 3.095) 3.971 9.976 ( 4.782 -20.878 -6.300) 22.326 10.091 ( -8.480 -0.279 0.892) 8.531 10.208 ( 2.488 -7.914 -1.961) 8.524 10.316 ( -7.417 -14.870 6.935) 18.007 10.372 ( 2.196 -7.660 -4.199) 9.008 10.652 ( -5.366 -1.950 -1.193) 5.832 10.706 ( -8.636 -7.734 -4.126) 12.306 20.058 ( -3.608 1.422 4.382) 5.852 20.125 ( -0.010 -0.583 -3.530) 3.578 20.296 ( 0.732 -0.684 -1.230) 1.586 20.385 ( -3.604 1.936 -1.238) 4.274 20.407 ( -3.792 -4.637 2.331) 6.428 20.518 ( 1.565 -2.950 3.789) 5.050 20.883 ( -7.667 1.757 5.248) 9.456 21.191 ( -3.959 -5.071 -7.642) 9.989 21.774 ( 0.787 6.255 6.925) 9.365 21.966 ( 2.059 3.778 -2.819) 5.144 22.149 ( 2.758 -3.410 0.066) 4.386 22.350 ( -1.784 -7.810 -0.309) 8.017 22.686 ( -0.722 6.619 0.327) 6.666 22.752 ( -3.405 3.873 1.153) 5.284 23.395 ( 4.485 17.692 4.071) 18.700 23.743 ( 10.476 11.973 -15.068) 21.912 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -1.785 13.098 5.964) 14.502 1.536 ( 2.398 9.585 0.639) 9.901 1.552 ( -0.957 6.531 4.889) 8.214 1.633 ( 4.217 -0.006 -1.290) 4.410 1.798 ( -2.777 -6.542 6.922) 9.921 1.877 ( -1.826 -10.648 5.320) 12.043 1.990 ( 3.092 0.841 -7.399) 8.063 2.068 ( 2.437 -6.167 -9.575) 11.647 2.401 ( 1.956 7.330 2.626) 8.028 2.454 ( -0.454 3.916 -1.029) 4.075 2.576 ( 1.018 -0.837 -0.324) 1.357 2.610 ( -1.300 -2.944 -2.407) 4.019 2.773 ( -4.316 4.231 5.129) 7.927 2.819 ( -2.642 0.010 4.779) 5.461 2.887 ( 2.461 3.228 -3.801) 5.561 2.932 ( 3.852 -1.170 -3.554) 5.370 3.012 ( -2.802 8.051 4.857) 9.811 3.057 ( -0.396 0.418 0.893) 1.063 3.075 ( -1.124 3.214 4.306) 5.489 3.190 ( -1.532 -1.844 -4.842) 5.403 3.445 ( -1.913 4.763 2.121) 5.553 3.498 ( -1.099 -1.034 -0.596) 1.622 3.645 ( 3.769 6.453 -4.271) 8.608 3.678 ( -1.768 4.386 -4.687) 6.659 3.997 ( 3.289 2.885 3.304) 5.483 4.027 ( 1.670 -0.659 0.424) 1.844 4.138 ( -2.615 1.548 0.421) 3.067 4.172 ( -4.495 -1.233 -2.139) 5.128 4.345 ( 2.175 1.171 2.765) 3.708 4.362 ( 3.539 -0.822 1.054) 3.782 4.603 ( -0.548 2.015 -1.226) 2.422 4.629 ( -2.702 -0.571 -3.690) 4.608 4.763 ( 2.279 1.722 1.696) 3.322 4.795 ( 0.923 -0.054 -0.525) 1.063 4.843 ( -0.180 -0.868 1.264) 1.544 4.883 ( 1.526 -3.399 -1.821) 4.147 5.040 ( -4.983 2.197 2.183) 5.867 5.062 ( -1.230 0.139 0.414) 1.305 5.392 ( 0.427 1.361 2.301) 2.708 5.427 ( 4.111 -1.536 -0.960) 4.492 5.547 ( -3.968 3.685 4.515) 7.050 5.578 ( -2.212 0.097 2.136) 3.076 5.779 ( 3.106 10.739 -1.912) 11.342 5.855 ( 1.378 10.971 -8.703) 14.072 6.107 ( 0.953 -11.015 5.089) 12.171 6.232 ( 0.629 -12.712 -7.067) 14.558 6.311 ( 1.915 1.837 -0.266) 2.667 6.332 ( -0.552 -3.026 -2.555) 3.999 8.359 ( -2.428 6.156 3.681) 7.572 8.421 ( 0.070 3.627 -2.122) 4.203 8.549 ( -1.800 -4.897 3.071) 6.054 8.599 ( -0.329 -5.810 -1.757) 6.079 8.902 ( 0.015 3.626 5.710) 6.764 8.976 ( -0.173 -1.880 0.494) 1.951 9.168 ( -0.045 0.527 2.620) 2.673 9.283 ( -0.376 -6.807 -6.080) 9.135 9.455 ( -0.727 -1.322 2.713) 3.104 9.487 ( 2.472 -5.138 -1.928) 6.019 9.649 ( 4.405 4.276 2.144) 6.503 9.674 ( -3.538 5.130 -0.243) 6.237 9.832 ( 3.049 -4.747 2.785) 6.292 9.857 ( -2.979 -4.627 0.563) 5.532 10.036 ( -3.476 0.708 3.049) 4.678 10.099 ( -2.220 -3.058 0.410) 3.801 10.158 ( 3.871 -3.995 -6.778) 8.769 10.174 ( 5.126 -7.704 -4.367) 10.232 10.509 ( -2.255 -0.461 0.163) 2.307 10.517 ( -1.388 -1.375 -0.805) 2.113 20.063 ( -2.366 1.362 3.012) 4.065 20.085 ( -1.433 -0.922 1.037) 1.995 20.287 ( -0.492 0.323 -0.376) 0.699 20.293 ( 1.135 -0.309 -0.859) 1.456 20.518 ( 3.856 1.651 3.140) 5.239 20.548 ( 1.843 -1.124 1.120) 2.432 20.848 ( -1.291 2.321 1.389) 2.997 20.937 ( -1.066 -6.586 -6.741) 9.485 21.940 ( -1.176 5.224 5.617) 7.761 22.005 ( 0.828 -0.665 0.320) 1.109 22.152 ( 0.093 -1.037 -0.786) 1.305 22.190 ( -0.062 -4.128 -3.257) 5.258 22.783 ( 0.231 2.878 0.514) 2.932 22.789 ( -0.374 2.342 0.063) 2.372 23.747 ( -0.196 9.917 1.926) 10.104 23.837 ( 0.995 0.596 -7.340) 7.431 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 3.685 11.347 2.229) 12.137 1.595 ( 2.942 5.666 0.405) 6.397 1.647 ( 8.323 7.623 -2.738) 11.614 1.702 ( 6.314 2.329 -5.834) 8.907 1.812 ( -2.423 -2.305 5.286) 6.255 1.873 ( -2.452 -6.866 2.157) 7.603 1.971 ( -0.415 -4.378 -1.503) 4.647 1.997 ( -0.493 -6.124 -7.995) 10.083 2.399 ( -2.329 5.925 -3.732) 7.379 2.428 ( -2.609 2.641 2.628) 4.548 2.543 ( -2.323 0.551 -1.211) 2.677 2.617 ( 1.587 -5.132 1.148) 5.493 2.729 ( -4.854 2.683 4.063) 6.875 2.784 ( -4.781 -2.816 3.942) 6.806 2.885 ( 0.398 6.404 -3.681) 7.397 2.925 ( -0.264 2.820 -3.593) 4.575 3.031 ( -0.828 2.734 3.323) 4.382 3.063 ( -0.104 0.458 2.044) 2.097 3.147 ( 1.690 4.424 6.028) 7.666 3.177 ( 3.992 1.802 -0.948) 4.481 3.438 ( -0.464 5.732 1.604) 5.971 3.521 ( 3.286 -2.787 1.689) 4.628 3.621 ( 0.161 9.292 -3.274) 9.853 3.717 ( 3.656 1.111 0.248) 3.829 3.953 ( -3.677 2.067 -1.223) 4.392 4.010 ( -2.904 -2.880 -3.055) 5.105 4.135 ( 1.432 5.918 4.886) 7.807 4.202 ( 0.391 -2.960 4.405) 5.322 4.355 ( 1.367 2.873 -4.501) 5.511 4.389 ( 1.595 -1.105 -5.557) 5.886 4.580 ( -0.933 3.805 1.039) 4.053 4.632 ( 1.495 -1.749 3.284) 4.010 4.777 ( 0.284 1.867 -3.539) 4.011 4.810 ( 1.341 -0.226 -0.524) 1.457 4.864 ( 0.480 -1.180 -0.277) 1.304 4.894 ( 2.646 -4.739 -2.892) 6.150 5.003 ( 0.132 2.424 5.484) 5.997 5.064 ( 1.063 -2.938 3.735) 4.869 5.482 ( 8.154 5.202 -1.911) 9.859 5.540 ( 2.683 0.204 1.970) 3.335 5.567 ( -0.128 2.630 5.464) 6.065 5.610 ( 6.247 -1.836 -2.632) 7.023 5.759 ( -1.123 11.738 -3.694) 12.357 5.796 ( -0.663 12.959 -2.214) 13.163 6.075 ( -7.638 -15.792 -0.935) 17.567 6.122 ( -3.650 -14.493 -2.262) 15.116 6.268 ( -2.288 5.566 -1.289) 6.155 6.336 ( -1.145 -2.290 -0.836) 2.693 8.354 ( -1.821 6.057 3.455) 7.207 8.417 ( -0.235 1.086 1.104) 1.566 8.621 ( 5.261 -2.907 1.840) 6.286 8.637 ( 5.189 -2.681 2.510) 6.357 8.928 ( -2.063 4.577 -4.175) 6.529 8.945 ( -1.391 2.906 4.894) 5.859 9.146 ( -8.074 -4.873 -6.773) 11.610 9.195 ( -4.132 -7.978 6.788) 11.261 9.429 ( -2.583 -0.018 -0.582) 2.648 9.494 ( -2.787 -5.236 -0.860) 5.994 9.563 ( -1.782 5.666 -3.375) 6.832 9.695 ( -1.920 -3.354 -0.649) 3.919 9.782 ( -4.587 -0.173 -2.217) 5.098 9.858 ( -4.150 -2.764 -1.305) 5.154 10.001 ( -0.870 -4.075 4.168) 5.893 10.051 ( -2.681 -8.280 3.830) 9.508 10.234 ( 10.068 0.839 -3.436) 10.671 10.278 ( 11.009 -4.543 -5.445) 13.095 10.568 ( 7.297 -0.320 2.994) 7.894 10.589 ( 5.907 -2.120 1.874) 6.550 20.061 ( -1.351 1.138 3.734) 4.131 20.083 ( -0.565 -1.231 2.361) 2.722 20.311 ( 2.671 1.974 -0.256) 3.331 20.351 ( 4.786 -2.174 0.422) 5.274 20.488 ( -2.258 3.242 -5.047) 6.410 20.543 ( -0.647 -2.177 -3.635) 4.286 20.969 ( 8.013 -1.413 0.325) 8.143 20.973 ( 9.222 -2.254 1.543) 9.618 21.931 ( -4.261 5.263 2.856) 7.349 22.015 ( -0.075 -1.975 -0.348) 2.007 22.097 ( -3.464 2.396 -0.818) 4.290 22.199 ( 1.973 -6.769 -0.635) 7.079 22.794 ( 1.277 3.590 -0.044) 3.811 22.813 ( 2.290 1.535 0.341) 2.778 23.699 ( -6.913 8.209 1.022) 10.781 23.750 ( -4.480 2.739 -2.654) 5.883 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.079 9.904 -2.202) 10.146 1.659 ( 6.410 8.249 -5.380) 11.751 1.710 ( 1.320 4.333 -8.168) 9.340 1.754 ( 3.051 0.035 -3.401) 4.569 1.761 ( -0.628 -2.735 -2.667) 3.871 1.847 ( -3.038 -4.975 -3.182) 6.641 1.927 ( 2.160 0.202 5.649) 6.051 2.020 ( 1.770 -5.573 2.962) 6.555 2.338 ( -2.355 3.588 0.528) 4.324 2.371 ( -4.374 -0.104 1.921) 4.778 2.512 ( -1.806 5.430 2.065) 6.084 2.641 ( -0.710 -4.224 0.115) 4.285 2.664 ( -5.676 -0.449 2.809) 6.348 2.713 ( -7.119 -2.964 1.887) 7.939 2.830 ( -1.185 5.918 -3.522) 6.988 2.883 ( 0.504 0.965 -4.305) 4.441 3.039 ( -1.390 2.287 3.469) 4.381 3.079 ( -1.495 -0.477 3.946) 4.247 3.243 ( 1.906 6.704 5.544) 8.905 3.285 ( 5.897 3.669 2.456) 7.367 3.438 ( 2.513 8.423 -6.376) 10.859 3.563 ( 1.318 -4.666 -3.887) 6.214 3.606 ( -1.581 6.991 1.509) 7.325 3.696 ( -3.850 -2.077 -2.027) 4.821 3.973 ( 3.315 3.647 6.311) 8.008 4.037 ( 3.112 -1.453 5.707) 6.661 4.161 ( -2.449 2.936 2.861) 4.775 4.200 ( -1.780 -0.816 2.818) 3.431 4.364 ( 3.653 3.527 -4.962) 7.100 4.382 ( 4.847 0.230 -7.741) 9.136 4.565 ( -1.445 6.137 0.444) 6.320 4.656 ( 0.300 -2.521 -1.189) 2.803 4.787 ( 3.095 -0.728 -0.717) 3.260 4.836 ( 1.506 -4.070 1.676) 4.652 4.876 ( 2.807 1.364 -0.736) 3.206 4.950 ( 4.636 -5.556 -1.146) 7.326 5.127 ( 6.742 3.682 4.772) 9.043 5.189 ( 8.060 -1.618 3.126) 8.795 5.490 ( -3.943 7.117 -1.180) 8.221 5.544 ( -0.329 3.469 -2.935) 4.556 5.601 ( -2.246 -0.150 0.905) 2.426 5.687 ( 5.069 -4.346 -7.504) 10.044 5.763 ( 1.980 5.961 -2.344) 6.704 5.812 ( 2.876 11.677 4.597) 12.875 5.918 ( -2.923 -9.339 -7.259) 12.184 6.082 ( -2.413 -12.785 5.142) 13.991 6.229 ( -2.260 3.864 0.874) 4.561 6.304 ( 0.815 -1.417 -0.473) 1.701 8.330 ( -3.115 6.547 0.517) 7.269 8.426 ( -2.363 -2.351 3.335) 4.715 8.722 ( 2.832 3.613 0.924) 4.683 8.777 ( -6.341 1.532 -3.157) 7.247 8.826 ( 2.308 0.397 4.360) 4.949 8.869 ( -8.941 0.010 -0.588) 8.960 8.992 ( 0.539 5.331 4.997) 7.327 9.164 ( -7.182 -6.350 7.408) 12.115 9.351 ( -3.536 1.482 -1.706) 4.196 9.428 ( -3.196 -10.098 1.479) 10.695 9.518 ( -0.770 -1.453 -1.972) 2.567 9.610 ( -6.242 -7.266 -2.277) 9.846 9.683 ( -0.967 0.027 -4.321) 4.427 9.732 ( -6.055 -2.976 -3.179) 7.458 10.044 ( 1.869 -3.402 2.911) 4.852 10.094 ( 2.669 -7.717 1.543) 8.310 10.403 ( 10.405 1.550 -2.089) 10.725 10.456 ( 13.000 -4.495 -6.385) 15.165 10.714 ( 6.824 0.742 0.606) 6.890 10.763 ( 9.450 -4.063 1.588) 10.408 20.077 ( -1.159 0.909 4.038) 4.298 20.102 ( -0.326 -1.776 2.871) 3.392 20.318 ( -0.564 2.371 -4.329) 4.968 20.358 ( -1.536 -1.583 -2.949) 3.682 20.542 ( 7.548 0.544 -0.220) 7.571 20.558 ( 9.052 -1.269 -0.243) 9.143 21.105 ( 6.992 2.711 -1.586) 7.665 21.164 ( 7.287 -3.338 2.756) 8.476 21.861 ( -5.393 6.298 2.280) 8.600 21.979 ( -4.416 -6.147 3.638) 8.398 22.057 ( 0.499 7.681 -3.209) 8.339 22.221 ( 1.777 -9.575 -2.374) 10.023 22.834 ( 3.312 4.588 -0.177) 5.661 22.872 ( 4.078 0.475 -0.179) 4.110 23.542 ( -9.719 9.625 -0.375) 13.684 23.624 ( -8.845 1.060 1.048) 8.969 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.936 7.686 -4.475) 8.943 1.629 ( -4.189 -4.454 -1.366) 6.265 1.659 ( -1.697 3.892 -0.571) 4.284 1.675 ( 0.733 5.246 -4.134) 6.719 1.778 ( 0.965 1.725 -3.589) 4.098 1.861 ( 6.262 -1.882 -6.197) 9.009 2.016 ( -2.742 -0.458 -1.067) 2.978 2.042 ( 0.784 -1.917 2.578) 3.307 2.309 ( -0.429 4.422 1.735) 4.769 2.373 ( -4.440 -1.188 2.279) 5.131 2.428 ( -6.898 4.107 3.602) 8.799 2.508 ( -12.077 -2.252 -1.328) 12.356 2.603 ( 0.901 4.154 -0.112) 4.252 2.684 ( 1.135 -2.627 1.253) 3.124 2.810 ( 1.710 4.871 -1.567) 5.395 2.888 ( 2.298 -2.580 -2.257) 4.127 3.054 ( -0.130 1.217 3.766) 3.960 3.080 ( -2.232 -0.713 4.901) 5.432 3.278 ( -1.000 5.529 -0.829) 5.680 3.327 ( -0.940 1.248 -1.474) 2.148 3.505 ( 2.773 5.575 0.071) 6.227 3.513 ( 1.999 3.701 -0.135) 4.209 3.596 ( -3.668 2.739 0.423) 4.597 3.647 ( 2.552 -0.322 0.934) 2.737 4.074 ( -3.500 0.768 6.429) 7.360 4.100 ( 0.919 -1.314 8.027) 8.186 4.207 ( 3.335 4.371 1.441) 5.684 4.242 ( 2.520 -0.101 3.597) 4.393 4.375 ( 3.747 3.710 -7.576) 9.231 4.389 ( 3.918 1.383 -6.175) 7.443 4.554 ( -0.546 5.016 0.727) 5.097 4.651 ( 0.028 -3.967 -0.799) 4.047 4.831 ( 2.603 0.610 -1.072) 2.880 4.896 ( 4.107 -4.986 0.492) 6.479 4.963 ( 5.780 2.384 1.167) 6.361 5.036 ( 5.712 -4.756 -0.451) 7.446 5.271 ( 3.953 6.943 1.790) 8.188 5.367 ( 8.129 0.093 0.548) 8.148 5.433 ( -2.580 7.424 0.099) 7.860 5.512 ( 1.971 0.822 -2.700) 3.443 5.551 ( 0.217 -2.744 -1.710) 3.240 5.641 ( -0.380 -9.302 -5.664) 10.897 5.730 ( -2.395 3.357 -2.498) 4.821 5.817 ( -4.064 -3.814 -2.429) 6.080 5.911 ( 2.506 7.020 -1.786) 7.665 6.076 ( -4.853 -9.565 1.888) 10.890 6.239 ( 4.722 9.214 -0.018) 10.354 6.360 ( 3.232 -2.722 0.222) 4.231 8.253 ( -4.218 5.406 -0.394) 6.868 8.343 ( -7.569 -3.558 -1.169) 8.445 8.579 ( -7.382 4.974 4.735) 10.082 8.680 ( -5.616 -5.364 6.073) 9.858 8.833 ( -6.600 8.624 5.094) 11.996 8.886 ( -4.544 2.497 3.079) 6.030 9.087 ( 6.431 3.528 0.266) 7.340 9.147 ( 0.617 -1.687 5.204) 5.505 9.337 ( 0.358 2.176 4.990) 5.456 9.385 ( -2.867 -3.821 -2.050) 5.199 9.498 ( -3.181 -5.573 3.566) 7.341 9.518 ( -1.213 -2.734 0.615) 3.054 9.598 ( -2.207 -3.343 -1.729) 4.363 9.662 ( 3.089 -14.246 -6.042) 15.780 10.101 ( 2.313 -4.016 -0.925) 4.725 10.121 ( -0.233 -5.041 -2.229) 5.517 10.552 ( 7.767 0.303 -1.742) 7.966 10.592 ( 7.574 -4.024 -4.494) 9.683 10.830 ( 6.999 1.271 -3.726) 8.030 10.903 ( 6.146 -5.672 -3.049) 8.902 20.086 ( -1.793 0.996 3.685) 4.218 20.117 ( -0.845 -2.199 2.410) 3.370 20.268 ( 0.159 1.615 -4.147) 4.453 20.306 ( -0.313 -2.297 -3.872) 4.513 20.713 ( 10.494 4.366 2.047) 11.548 20.789 ( 12.327 -3.237 3.657) 13.259 21.163 ( 0.265 5.172 -0.588) 5.212 21.255 ( -0.290 -4.061 2.631) 4.847 21.797 ( -3.745 8.834 2.543) 9.927 21.966 ( -1.547 -6.933 5.387) 8.915 22.023 ( -0.125 6.948 -5.440) 8.825 22.217 ( 1.531 -11.264 -5.048) 12.438 22.909 ( 5.028 5.266 -0.265) 7.285 22.955 ( 5.445 0.239 -0.665) 5.490 23.362 ( -9.638 9.855 0.069) 13.784 23.457 ( -9.964 -0.167 0.466) 9.976 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 3.299 6.098 0.658) 6.964 1.600 ( -1.078 -2.455 3.985) 4.803 1.667 ( -1.855 1.393 5.762) 6.211 1.677 ( 2.309 -0.204 1.519) 2.772 1.766 ( 2.900 7.593 -5.861) 10.021 1.870 ( 2.337 -2.570 -9.115) 9.755 1.920 ( -3.762 4.133 -1.966) 5.925 2.002 ( -3.263 -4.112 -4.253) 6.756 2.154 ( -8.143 1.216 -3.311) 8.874 2.200 ( -10.254 -3.509 -5.159) 12.003 2.416 ( 1.856 4.757 2.353) 5.622 2.467 ( 0.562 -1.080 1.740) 2.123 2.650 ( 2.443 6.043 1.677) 6.731 2.707 ( -0.165 1.133 1.442) 1.842 2.822 ( -0.196 3.006 -0.161) 3.017 2.881 ( 0.168 -2.121 -3.337) 3.958 3.093 ( -1.193 2.773 6.067) 6.777 3.146 ( 3.140 -2.302 5.446) 6.695 3.229 ( -1.344 2.484 -3.148) 4.229 3.293 ( 0.080 -4.136 -3.310) 5.298 3.512 ( -0.443 7.127 5.957) 9.299 3.539 ( -0.392 5.192 3.550) 6.302 3.652 ( 4.828 4.985 -1.339) 7.068 3.689 ( 0.048 1.279 0.591) 1.410 4.080 ( -2.330 3.894 5.978) 7.505 4.149 ( -3.195 -0.874 6.448) 7.249 4.230 ( -0.489 3.028 0.432) 3.097 4.281 ( -0.834 -0.226 0.365) 0.938 4.386 ( 4.851 3.350 -6.827) 9.020 4.429 ( 4.703 -1.207 -5.327) 7.208 4.550 ( -0.116 2.369 1.538) 2.827 4.625 ( -1.634 -4.287 -1.138) 4.727 4.900 ( 4.672 4.640 1.559) 6.767 4.990 ( 4.090 -2.341 0.347) 4.725 5.059 ( 1.889 0.691 2.585) 3.275 5.110 ( 2.262 -3.030 -1.281) 3.992 5.332 ( 3.565 7.384 -0.319) 8.205 5.400 ( 0.700 4.622 0.651) 4.720 5.445 ( -0.406 -2.417 -2.117) 3.239 5.493 ( -1.885 -2.126 -1.699) 3.311 5.586 ( 2.508 3.541 0.593) 4.380 5.663 ( 0.507 -3.262 -0.759) 3.387 5.683 ( 0.573 -1.960 -1.373) 2.461 5.733 ( 2.565 -4.706 -3.464) 6.381 5.848 ( -4.333 3.070 -4.414) 6.905 5.948 ( -7.899 -6.765 -2.459) 10.687 6.325 ( 3.551 6.642 -0.737) 7.567 6.384 ( 0.494 0.607 -2.054) 2.198 8.234 ( 1.247 1.533 2.425) 3.128 8.253 ( -0.944 -0.447 1.344) 1.702 8.540 ( -5.086 4.026 6.853) 9.436 8.608 ( -8.071 -2.009 4.759) 9.582 8.795 ( 0.191 3.401 4.039) 5.284 8.820 ( -2.214 1.845 2.129) 3.583 9.136 ( 1.620 1.427 -3.829) 4.396 9.178 ( -4.915 -1.930 -0.962) 5.367 9.325 ( 1.408 6.211 2.061) 6.693 9.423 ( 0.433 4.872 4.831) 6.875 9.467 ( -0.612 -8.424 -0.122) 8.447 9.522 ( -0.954 -4.365 0.748) 4.530 9.632 ( 5.028 -2.423 4.693) 7.292 9.764 ( 7.705 -16.590 3.489) 18.622 10.032 ( -4.850 -1.168 -6.188) 7.948 10.083 ( -1.669 -7.373 -4.659) 8.880 10.639 ( 2.094 -0.896 -0.347) 2.304 10.660 ( 4.143 -2.943 -2.765) 5.786 10.883 ( 3.237 -1.298 -4.840) 5.966 10.924 ( 0.786 -5.026 -5.211) 7.283 20.085 ( -1.825 1.220 3.427) 4.069 20.118 ( -0.868 -2.063 1.432) 2.657 20.247 ( 0.688 0.493 -2.271) 2.423 20.276 ( 0.614 -2.358 -3.294) 4.097 20.925 ( 8.337 6.656 3.780) 11.318 21.038 ( 9.557 -5.004 3.341) 11.293 21.113 ( -3.804 7.100 0.104) 8.055 21.219 ( -3.754 -3.883 0.465) 5.421 21.776 ( -3.270 10.412 5.386) 12.171 21.951 ( -1.173 6.618 -6.478) 9.335 22.006 ( -0.290 -8.059 5.311) 9.656 22.186 ( 1.650 -12.285 -7.163) 14.316 23.004 ( 5.109 5.683 -0.076) 7.643 23.043 ( 3.060 1.683 -0.174) 3.497 23.220 ( -4.468 7.429 0.374) 8.677 23.291 ( -6.788 -0.016 -1.396) 6.930 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -6.257 5.348 -1.583) 8.382 1.588 ( -0.685 0.617 1.895) 2.107 1.658 ( -5.678 2.803 4.154) 7.573 1.693 ( -2.664 -0.097 6.952) 7.446 1.799 ( -1.033 1.738 -7.532) 7.798 1.830 ( 3.490 -1.197 -8.104) 8.904 1.904 ( 3.612 1.990 0.522) 4.157 1.945 ( 6.580 -2.143 0.363) 6.930 2.103 ( 4.529 0.538 0.969) 4.662 2.136 ( 6.870 -2.552 1.001) 7.396 2.465 ( 1.510 2.907 -1.233) 3.500 2.478 ( 2.712 1.786 -1.005) 3.400 2.694 ( -1.456 4.814 -2.042) 5.428 2.703 ( 1.234 2.746 1.615) 3.416 2.811 ( -2.186 1.357 3.348) 4.223 2.849 ( -0.834 -1.458 -2.280) 2.832 3.124 ( -1.385 4.388 4.956) 6.763 3.196 ( 0.763 -0.187 0.010) 0.785 3.219 ( 0.233 -1.511 0.478) 1.602 3.256 ( -0.818 -2.278 -3.545) 4.293 3.549 ( -1.096 7.210 2.873) 7.838 3.592 ( 0.463 3.969 0.500) 4.027 3.638 ( -2.474 6.287 -0.970) 6.825 3.698 ( 1.521 -0.924 -1.998) 2.675 4.106 ( -2.117 5.957 9.068) 11.055 4.139 ( -2.061 3.631 3.205) 5.263 4.219 ( -1.696 -0.089 2.111) 2.710 4.257 ( -1.847 -2.445 0.527) 3.109 4.381 ( 0.383 1.829 -5.195) 5.521 4.425 ( 1.282 -1.674 -6.274) 6.619 4.581 ( 1.747 1.161 -0.367) 2.129 4.624 ( 3.840 -3.006 -1.663) 5.153 4.937 ( -6.361 4.616 -0.735) 7.893 4.978 ( -2.248 2.053 -0.230) 3.053 5.074 ( -1.868 -0.131 2.011) 2.748 5.118 ( -0.015 -3.584 -2.238) 4.226 5.340 ( -4.716 4.181 -1.488) 6.475 5.376 ( -0.713 2.333 2.396) 3.419 5.423 ( -4.873 0.653 -0.560) 4.949 5.473 ( 2.062 -2.298 2.797) 4.166 5.593 ( -1.908 3.193 -0.686) 3.782 5.665 ( -4.162 -3.355 -2.581) 5.937 5.681 ( 4.175 3.857 1.167) 5.803 5.708 ( -2.011 -2.340 -1.510) 3.435 5.817 ( 1.165 -1.768 -1.494) 2.592 5.905 ( 9.389 -9.003 0.386) 13.013 6.327 ( -3.000 5.995 -0.484) 6.721 6.377 ( 1.483 0.943 -1.570) 2.357 8.260 ( -0.872 1.588 -0.070) 1.813 8.279 ( 1.158 -0.507 -0.828) 1.511 8.578 ( 4.298 3.528 4.864) 7.388 8.608 ( 6.709 0.389 2.833) 7.293 8.842 ( 0.583 2.636 1.316) 3.003 8.851 ( 1.377 1.851 1.106) 2.558 9.061 ( -4.926 3.205 0.582) 5.905 9.137 ( 1.967 -3.134 1.036) 3.842 9.361 ( -1.359 3.267 2.201) 4.167 9.435 ( 2.294 -0.602 -3.275) 4.043 9.490 ( -0.050 -4.864 1.515) 5.095 9.511 ( 0.967 -6.519 -0.069) 6.591 9.799 ( -1.099 -2.256 -1.972) 3.192 9.810 ( 0.038 -1.589 -2.205) 2.718 9.961 ( 0.385 -7.887 3.554) 8.660 9.977 ( -0.957 -9.998 -2.168) 10.275 10.618 ( -4.435 0.724 0.903) 4.583 10.668 ( -1.370 -3.762 -2.908) 4.948 10.854 ( -3.721 -2.701 -2.262) 5.124 10.874 ( -0.839 -4.620 -0.753) 4.755 20.087 ( -1.606 1.366 3.640) 4.206 20.117 ( -0.410 -1.712 1.120) 2.086 20.243 ( 0.417 -0.353 -1.085) 1.215 20.263 ( 1.033 -2.393 -2.808) 3.831 20.931 ( -10.361 5.384 2.798) 12.007 21.011 ( -8.860 -2.394 4.206) 10.096 21.190 ( 7.715 6.263 -6.198) 11.711 21.283 ( 11.013 -3.077 -4.641) 12.341 21.743 ( -7.656 10.660 9.015) 15.922 21.902 ( 0.056 3.715 -0.461) 3.744 22.033 ( -1.229 -7.518 3.215) 8.268 22.159 ( 2.794 -11.218 -6.623) 13.323 22.999 ( -5.599 5.283 0.317) 7.704 23.028 ( -4.462 2.269 1.044) 5.114 23.232 ( 5.282 7.295 -0.617) 9.027 23.301 ( 9.594 -0.036 -2.169) 9.836 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -3.860 9.738 2.701) 10.818 1.559 ( -2.150 -2.757 2.923) 4.557 1.602 ( -4.827 7.719 2.238) 9.375 1.694 ( -1.447 3.479 0.874) 3.868 1.735 ( -3.350 -5.184 1.714) 6.405 1.783 ( 1.474 -4.473 -2.743) 5.450 2.013 ( 5.262 3.420 -0.219) 6.279 2.080 ( 5.536 -3.506 -1.531) 6.729 2.319 ( 9.060 2.461 2.658) 9.757 2.338 ( 12.286 0.446 3.236) 12.712 2.509 ( 4.113 2.925 -2.681) 5.715 2.525 ( 7.401 1.339 -3.227) 8.184 2.613 ( -3.063 7.420 -2.063) 8.288 2.710 ( -1.499 -0.536 -1.140) 1.958 2.805 ( -1.987 0.276 -0.780) 2.152 2.820 ( -1.668 -0.382 4.359) 4.683 3.114 ( -1.725 3.007 -0.785) 3.554 3.169 ( -1.345 -2.211 -2.622) 3.684 3.233 ( 0.879 3.291 1.303) 3.647 3.263 ( 2.115 -0.040 3.631) 4.203 3.489 ( -8.949 6.961 1.040) 11.385 3.540 ( -1.974 5.229 -1.577) 5.808 3.633 ( 1.949 1.480 -1.445) 2.842 3.673 ( -2.275 -2.701 -2.041) 4.079 4.139 ( 0.438 5.037 1.985) 5.432 4.168 ( -1.701 5.576 9.521) 11.164 4.215 ( -0.869 -1.196 -0.577) 1.587 4.230 ( -0.821 0.788 -0.558) 1.267 4.330 ( -2.051 -0.994 -2.251) 3.204 4.349 ( -2.717 -2.228 -5.919) 6.883 4.609 ( 2.390 3.557 -4.263) 6.045 4.648 ( -1.241 -0.277 -1.193) 1.744 4.812 ( -3.330 1.149 0.691) 3.590 4.878 ( -6.471 -2.841 1.111) 7.154 5.027 ( -4.221 -1.334 -4.080) 6.021 5.041 ( -4.221 -1.973 -0.865) 4.739 5.277 ( -3.290 6.424 1.161) 7.311 5.333 ( -5.185 1.667 1.251) 5.589 5.401 ( -2.228 2.760 6.582) 7.477 5.493 ( -4.176 -3.135 2.750) 5.902 5.502 ( -1.609 2.470 -2.688) 3.989 5.586 ( 1.261 -6.241 0.317) 6.375 5.714 ( 2.776 2.801 -1.385) 4.179 5.805 ( 4.031 -4.239 -1.046) 5.943 5.852 ( 1.641 9.949 3.609) 10.709 6.089 ( 8.035 -13.752 0.503) 15.936 6.257 ( -2.284 9.149 -1.868) 9.612 6.376 ( -0.561 -2.651 -1.267) 2.991 8.251 ( 1.541 4.172 -0.186) 4.451 8.324 ( 5.337 -3.403 0.258) 6.334 8.681 ( 3.454 6.042 -2.835) 7.514 8.786 ( 3.395 -4.522 -1.694) 5.903 8.842 ( 1.986 6.388 2.671) 7.203 8.894 ( 4.377 0.457 1.145) 4.548 9.040 ( 0.581 9.466 2.243) 9.745 9.220 ( 0.607 -4.405 1.916) 4.841 9.337 ( 2.546 3.083 0.255) 4.006 9.471 ( -0.567 -1.010 -4.291) 4.444 9.479 ( 2.845 -7.094 -0.412) 7.654 9.549 ( 1.130 -8.516 2.594) 8.973 9.616 ( -1.760 -0.762 -8.853) 9.059 9.737 ( -2.461 -12.864 -9.920) 16.430 10.019 ( 0.893 -2.167 6.793) 7.186 10.051 ( 0.311 -6.446 5.391) 8.409 10.505 ( -9.366 1.380 2.264) 9.734 10.555 ( -8.129 -3.560 -1.160) 8.950 10.771 ( -4.699 0.800 1.520) 5.003 10.846 ( -3.471 -6.699 2.204) 7.860 20.096 ( -1.365 1.484 4.053) 4.527 20.124 ( -0.043 -1.457 1.108) 1.831 20.242 ( 0.476 -0.584 -0.699) 1.027 20.259 ( 0.699 -2.466 -1.220) 2.839 20.743 ( -10.497 4.565 -0.761) 11.472 20.834 ( -11.834 -4.993 -0.411) 12.851 21.209 ( -0.264 10.198 -5.560) 11.618 21.355 ( 1.750 -5.235 -7.111) 9.002 21.739 ( -0.781 10.525 8.571) 13.596 21.929 ( -0.826 -2.910 6.609) 7.269 22.039 ( 2.068 -2.399 -2.438) 3.997 22.162 ( 1.769 -9.153 -1.851) 9.505 22.903 ( -4.948 4.559 0.224) 6.732 22.933 ( -5.743 1.290 1.243) 6.016 23.374 ( 9.929 10.646 -1.075) 14.597 23.489 ( 12.649 -1.322 -2.417) 12.946 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -2.552 13.767 8.981) 16.635 1.557 ( -2.195 8.760 4.586) 10.129 1.573 ( -2.631 4.274 4.439) 6.700 1.669 ( -6.920 -2.964 3.552) 8.324 1.709 ( 2.595 -4.902 2.149) 5.948 1.804 ( 0.713 -8.547 1.418) 8.693 2.049 ( 0.085 1.728 -4.351) 4.683 2.095 ( 2.095 -1.702 -5.882) 6.472 2.402 ( 3.537 5.187 -4.439) 7.689 2.447 ( 0.414 0.950 -5.772) 5.864 2.540 ( 0.401 4.329 0.403) 4.366 2.616 ( 2.475 1.909 1.662) 3.540 2.694 ( 6.878 -0.014 1.155) 6.975 2.743 ( 6.750 -1.780 0.920) 7.041 2.771 ( 0.778 2.800 1.932) 3.490 2.812 ( -0.990 -1.936 -0.049) 2.175 3.084 ( -1.003 3.348 -0.491) 3.530 3.138 ( -1.224 1.102 -1.920) 2.529 3.249 ( -7.297 10.462 5.523) 13.899 3.327 ( -1.260 5.668 -0.480) 5.827 3.351 ( 2.125 2.170 0.595) 3.095 3.479 ( -3.899 -8.643 2.612) 9.835 3.639 ( 1.852 3.980 -1.542) 4.652 3.670 ( 2.437 -0.333 0.681) 2.553 4.117 ( -5.840 4.068 -7.247) 10.157 4.138 ( -6.138 4.399 -2.947) 8.106 4.197 ( 2.066 -1.005 0.366) 2.327 4.218 ( -1.508 -0.086 5.953) 6.142 4.285 ( 2.205 -0.028 -1.762) 2.823 4.299 ( -1.083 0.991 -0.855) 1.698 4.584 ( 0.022 4.154 -1.662) 4.474 4.621 ( -0.553 -0.547 0.814) 1.126 4.777 ( -3.608 -0.838 1.131) 3.873 4.822 ( -1.679 -3.539 1.939) 4.370 4.923 ( -1.874 0.133 -4.131) 4.538 4.962 ( -2.988 -4.041 -2.177) 5.477 5.193 ( -6.621 3.436 0.343) 7.467 5.213 ( -7.071 1.909 -0.421) 7.336 5.404 ( -2.378 3.983 5.787) 7.416 5.449 ( -3.767 -0.279 5.477) 6.653 5.584 ( 6.102 1.253 0.329) 6.238 5.648 ( 4.755 -5.007 -0.771) 6.948 5.718 ( -2.573 5.446 1.642) 6.243 5.813 ( -1.232 -3.829 1.772) 4.395 5.908 ( 3.283 11.532 -3.162) 12.400 6.157 ( 2.419 -6.186 -2.382) 7.056 6.275 ( 6.018 -2.712 -2.897) 7.209 6.331 ( -1.612 -4.145 -3.335) 5.559 8.307 ( 2.501 7.231 2.001) 7.909 8.443 ( 4.106 -6.333 1.898) 7.783 8.713 ( 2.406 4.863 -0.522) 5.450 8.759 ( 0.071 1.963 -1.533) 2.491 8.850 ( -5.289 1.216 2.843) 6.126 8.894 ( -6.592 -0.945 0.860) 6.715 9.095 ( 3.977 10.320 -4.150) 11.813 9.264 ( 9.107 -3.407 -2.440) 10.025 9.356 ( -0.754 0.044 -3.255) 3.342 9.468 ( 2.187 -13.415 -3.204) 13.964 9.512 ( 3.393 4.767 1.213) 5.975 9.576 ( 1.638 -7.636 1.095) 7.887 9.657 ( 2.347 -8.030 -4.920) 9.706 9.696 ( 9.816 -3.629 0.666) 10.487 10.058 ( -0.020 -2.693 2.619) 3.756 10.080 ( -1.208 -5.800 2.553) 6.451 10.334 ( -12.455 0.767 4.117) 13.140 10.381 ( -9.952 -3.620 0.310) 10.595 10.710 ( -3.892 1.454 1.080) 4.293 10.770 ( -6.695 -5.098 0.643) 8.440 20.104 ( -2.138 1.485 3.614) 4.454 20.128 ( -0.359 -1.184 -0.012) 1.237 20.256 ( 1.717 -0.062 0.306) 1.745 20.281 ( 1.303 -2.607 2.911) 4.119 20.558 ( -7.861 1.754 -1.889) 8.272 20.598 ( -11.434 -2.569 -3.118) 12.127 21.106 ( -6.580 8.405 -1.517) 10.781 21.247 ( -5.892 -6.244 -5.241) 10.058 21.826 ( 1.878 8.173 5.191) 9.863 21.969 ( -0.964 -4.778 4.390) 6.560 22.073 ( 4.779 2.555 -3.560) 6.484 22.189 ( 1.788 -8.186 0.305) 8.384 22.829 ( -3.333 4.189 0.242) 5.359 22.857 ( -3.897 1.137 1.121) 4.211 23.545 ( 9.452 12.402 -0.895) 15.619 23.690 ( 12.400 -2.471 -4.650) 13.472 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -4.308 13.817 7.415) 16.262 1.542 ( -4.669 11.796 6.476) 14.244 1.564 ( -5.895 1.608 3.155) 6.877 1.594 ( -0.552 4.375 4.347) 6.192 1.780 ( -0.296 -10.238 4.629) 11.240 1.845 ( 0.098 -11.583 4.797) 12.538 1.997 ( 2.902 3.423 -8.013) 9.184 2.092 ( 3.742 -5.271 -7.709) 10.061 2.364 ( -0.019 9.041 -1.551) 9.173 2.451 ( 1.193 0.529 -0.797) 1.529 2.560 ( 1.824 2.463 -1.604) 3.459 2.633 ( -0.137 -4.492 0.561) 4.529 2.774 ( 0.537 2.633 2.168) 3.453 2.786 ( -0.189 2.082 4.070) 4.576 2.853 ( 4.600 2.550 -0.721) 5.309 2.880 ( 4.584 -0.730 -1.714) 4.948 3.046 ( -4.723 5.173 3.783) 7.961 3.080 ( -2.629 3.774 -0.953) 4.697 3.123 ( -5.848 4.590 1.055) 7.509 3.277 ( -2.162 0.276 -5.206) 5.643 3.426 ( 3.111 4.976 1.929) 6.177 3.502 ( 0.528 -7.573 1.864) 7.817 3.666 ( 1.673 6.950 -3.977) 8.181 3.719 ( 0.586 1.688 1.343) 2.235 3.959 ( -2.853 3.975 -2.717) 5.597 4.001 ( -2.384 0.737 -2.706) 3.681 4.225 ( -4.173 4.156 -0.656) 5.927 4.245 ( -2.434 0.737 4.289) 4.986 4.264 ( 2.837 -0.435 2.149) 3.585 4.307 ( 2.179 -2.990 -3.510) 5.100 4.600 ( 1.839 4.487 -0.037) 4.849 4.652 ( 1.788 -1.528 1.374) 2.724 4.743 ( -0.141 1.217 0.524) 1.332 4.812 ( -2.170 -4.333 -0.917) 4.931 4.869 ( -0.043 -0.415 -1.774) 1.823 4.878 ( -3.489 -1.722 -1.194) 4.070 5.089 ( -3.356 1.350 -1.409) 3.882 5.112 ( -3.239 0.383 -0.987) 3.407 5.399 ( -4.599 2.892 5.777) 7.930 5.429 ( -5.098 1.078 7.356) 9.014 5.610 ( -3.217 4.449 0.277) 5.497 5.649 ( -4.704 0.589 -1.491) 4.970 5.714 ( 4.472 6.487 -1.612) 8.042 5.866 ( 4.380 1.331 -3.777) 5.935 5.972 ( 7.604 0.005 1.114) 7.685 6.210 ( 6.231 -9.589 -3.968) 12.105 6.284 ( 0.456 1.115 -3.178) 3.399 6.346 ( 3.399 -6.508 -2.435) 7.735 8.351 ( 0.154 6.714 2.371) 7.121 8.462 ( -1.301 -1.761 -1.540) 2.677 8.615 ( -7.352 0.584 0.930) 7.433 8.704 ( -8.523 -4.113 -2.231) 9.722 8.837 ( 1.671 3.233 4.075) 5.463 8.912 ( 3.678 -4.715 6.269) 8.663 9.130 ( 4.558 10.020 -3.955) 11.697 9.342 ( 0.503 -0.778 -5.546) 5.622 9.410 ( 2.246 -9.339 5.088) 10.870 9.451 ( 3.278 -6.254 -1.534) 7.226 9.541 ( 3.090 2.243 -1.764) 4.206 9.666 ( 4.100 -8.288 0.818) 9.283 9.729 ( 4.983 4.061 2.905) 7.054 9.860 ( 5.279 -3.766 -0.175) 6.487 10.057 ( -2.423 -1.682 3.517) 4.590 10.108 ( 4.589 -3.565 -5.183) 7.787 10.158 ( -9.180 -0.924 4.906) 10.450 10.228 ( -4.830 -6.742 -3.094) 8.852 10.621 ( -8.136 -1.394 -1.846) 8.458 10.625 ( -5.719 -1.283 -1.497) 6.050 20.085 ( -2.779 1.416 2.617) 4.072 20.109 ( -1.256 -1.102 -0.452) 1.731 20.298 ( 0.497 0.942 0.695) 1.272 20.334 ( -2.222 -2.957 2.699) 4.579 20.428 ( -1.251 2.401 0.122) 2.710 20.471 ( 0.178 -2.292 2.026) 3.064 20.958 ( -7.977 5.725 -1.066) 9.876 21.078 ( -6.489 -6.674 -5.691) 10.910 21.893 ( 0.416 6.154 5.160) 8.041 21.985 ( -0.473 -2.716 2.762) 3.902 22.128 ( 4.100 2.095 -3.094) 5.547 22.213 ( 0.913 -6.367 -1.524) 6.610 22.789 ( -1.420 3.745 0.361) 4.021 22.810 ( -2.209 1.447 0.562) 2.700 23.684 ( 5.860 12.291 0.055) 13.617 23.825 ( 7.984 -2.258 -7.155) 10.956 =================== 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 3/26460 10.0 295.692 516.488 401.914 0.000 5.645 0.000 3/26460 20.0 46.607 78.158 56.950 0.000 -1.651 0.000 3/26460 30.0 17.179 28.564 20.428 0.000 -0.816 0.000 3/26460 40.0 9.164 15.109 10.752 0.000 -0.472 0.000 3/26460 50.0 5.964 9.768 6.927 0.000 -0.325 0.000 3/26460 60.0 4.367 7.108 5.027 0.000 -0.248 0.000 3/26460 70.0 3.443 5.570 3.931 0.000 -0.200 0.000 3/26460 80.0 2.849 4.585 3.228 0.000 -0.168 0.000 3/26460 90.0 2.439 3.907 2.743 0.000 -0.145 0.000 3/26460 100.0 2.139 3.412 2.390 0.000 -0.127 0.000 3/26460 110.0 1.910 3.037 2.121 0.000 -0.113 0.000 3/26460 120.0 1.730 2.743 1.909 0.000 -0.102 0.000 3/26460 130.0 1.584 2.506 1.738 0.000 -0.093 0.000 3/26460 140.0 1.463 2.311 1.598 0.000 -0.086 0.000 3/26460 150.0 1.362 2.148 1.480 0.000 -0.080 0.000 3/26460 160.0 1.276 2.009 1.380 0.000 -0.075 0.000 3/26460 170.0 1.201 1.890 1.294 0.000 -0.070 0.000 3/26460 180.0 1.136 1.787 1.218 0.000 -0.067 0.000 3/26460 190.0 1.079 1.697 1.153 0.000 -0.064 0.000 3/26460 200.0 1.028 1.616 1.094 0.000 -0.061 0.000 3/26460 210.0 0.983 1.545 1.042 0.000 -0.058 0.000 3/26460 220.0 0.942 1.481 0.995 0.000 -0.056 0.000 3/26460 230.0 0.905 1.423 0.953 0.000 -0.055 0.000 3/26460 240.0 0.871 1.370 0.914 0.000 -0.053 0.000 3/26460 250.0 0.840 1.322 0.879 0.000 -0.051 0.000 3/26460 260.0 0.811 1.278 0.847 0.000 -0.050 0.000 3/26460 270.0 0.785 1.237 0.817 0.000 -0.049 0.000 3/26460 280.0 0.760 1.199 0.789 0.000 -0.048 0.000 3/26460 290.0 0.737 1.163 0.764 0.000 -0.047 0.000 3/26460 300.0 0.716 1.130 0.740 0.000 -0.046 0.000 3/26460 310.0 0.696 1.099 0.718 0.000 -0.045 0.000 3/26460 320.0 0.677 1.070 0.697 0.000 -0.044 0.000 3/26460 330.0 0.659 1.043 0.677 0.000 -0.043 0.000 3/26460 340.0 0.642 1.017 0.659 0.000 -0.042 0.000 3/26460 350.0 0.626 0.992 0.641 0.000 -0.042 0.000 3/26460 360.0 0.611 0.969 0.624 0.000 -0.041 0.000 3/26460 370.0 0.597 0.946 0.609 0.000 -0.040 0.000 3/26460 380.0 0.583 0.925 0.594 0.000 -0.039 0.000 3/26460 390.0 0.570 0.905 0.580 0.000 -0.039 0.000 3/26460 400.0 0.557 0.886 0.566 0.000 -0.038 0.000 3/26460 410.0 0.545 0.867 0.553 0.000 -0.038 0.000 3/26460 420.0 0.534 0.849 0.541 0.000 -0.037 0.000 3/26460 430.0 0.523 0.832 0.530 0.000 -0.036 0.000 3/26460 440.0 0.513 0.816 0.518 0.000 -0.036 0.000 3/26460 450.0 0.502 0.800 0.508 0.000 -0.035 0.000 3/26460 460.0 0.493 0.785 0.497 0.000 -0.035 0.000 3/26460 470.0 0.483 0.771 0.487 0.000 -0.034 0.000 3/26460 480.0 0.474 0.757 0.478 0.000 -0.034 0.000 3/26460 490.0 0.466 0.743 0.469 0.000 -0.033 0.000 3/26460 500.0 0.457 0.730 0.460 0.000 -0.033 0.000 3/26460 510.0 0.449 0.718 0.451 0.000 -0.032 0.000 3/26460 520.0 0.441 0.705 0.443 0.000 -0.032 0.000 3/26460 530.0 0.434 0.694 0.435 0.000 -0.031 0.000 3/26460 540.0 0.427 0.682 0.428 0.000 -0.031 0.000 3/26460 550.0 0.420 0.671 0.421 0.000 -0.031 0.000 3/26460 560.0 0.413 0.660 0.413 0.000 -0.030 0.000 3/26460 570.0 0.406 0.650 0.407 0.000 -0.030 0.000 3/26460 580.0 0.400 0.640 0.400 0.000 -0.029 0.000 3/26460 590.0 0.394 0.630 0.394 0.000 -0.029 0.000 3/26460 600.0 0.388 0.621 0.387 0.000 -0.029 0.000 3/26460 610.0 0.382 0.612 0.381 0.000 -0.028 0.000 3/26460 620.0 0.376 0.603 0.375 0.000 -0.028 0.000 3/26460 630.0 0.371 0.594 0.370 0.000 -0.027 0.000 3/26460 640.0 0.365 0.586 0.364 0.000 -0.027 0.000 3/26460 650.0 0.360 0.577 0.359 0.000 -0.027 0.000 3/26460 660.0 0.355 0.569 0.354 0.000 -0.026 0.000 3/26460 670.0 0.350 0.562 0.349 0.000 -0.026 0.000 3/26460 680.0 0.345 0.554 0.344 0.000 -0.026 0.000 3/26460 690.0 0.341 0.547 0.339 0.000 -0.026 0.000 3/26460 700.0 0.336 0.540 0.334 0.000 -0.025 0.000 3/26460 710.0 0.332 0.533 0.330 0.000 -0.025 0.000 3/26460 720.0 0.327 0.526 0.325 0.000 -0.025 0.000 3/26460 730.0 0.323 0.519 0.321 0.000 -0.024 0.000 3/26460 740.0 0.319 0.513 0.317 0.000 -0.024 0.000 3/26460 750.0 0.315 0.506 0.313 0.000 -0.024 0.000 3/26460 760.0 0.311 0.500 0.309 0.000 -0.024 0.000 3/26460 770.0 0.307 0.494 0.305 0.000 -0.023 0.000 3/26460 780.0 0.304 0.488 0.301 0.000 -0.023 0.000 3/26460 790.0 0.300 0.482 0.298 0.000 -0.023 0.000 3/26460 800.0 0.296 0.477 0.294 0.000 -0.023 0.000 3/26460 810.0 0.293 0.471 0.291 0.000 -0.022 0.000 3/26460 820.0 0.290 0.466 0.287 0.000 -0.022 0.000 3/26460 830.0 0.286 0.461 0.284 0.000 -0.022 0.000 3/26460 840.0 0.283 0.455 0.281 0.000 -0.022 0.000 3/26460 850.0 0.280 0.450 0.277 0.000 -0.021 0.000 3/26460 860.0 0.277 0.446 0.274 0.000 -0.021 0.000 3/26460 870.0 0.274 0.441 0.271 0.000 -0.021 0.000 3/26460 880.0 0.271 0.436 0.268 0.000 -0.021 0.000 3/26460 890.0 0.268 0.431 0.265 0.000 -0.021 0.000 3/26460 900.0 0.265 0.427 0.262 0.000 -0.020 0.000 3/26460 910.0 0.262 0.422 0.260 0.000 -0.020 0.000 3/26460 920.0 0.260 0.418 0.257 0.000 -0.020 0.000 3/26460 930.0 0.257 0.414 0.254 0.000 -0.020 0.000 3/26460 940.0 0.254 0.410 0.252 0.000 -0.020 0.000 3/26460 950.0 0.252 0.406 0.249 0.000 -0.019 0.000 3/26460 960.0 0.249 0.402 0.246 0.000 -0.019 0.000 3/26460 970.0 0.247 0.398 0.244 0.000 -0.019 0.000 3/26460 980.0 0.244 0.394 0.242 0.000 -0.019 0.000 3/26460 990.0 0.242 0.390 0.239 0.000 -0.019 0.000 3/26460 1000.0 0.240 0.386 0.237 0.000 -0.019 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:36:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|