----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.124947300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): *1 Ca 0.79589472216891 0.10618806349893 0.38347138366605 40.078 *2 Ca 0.27021363700294 0.35480184855560 0.37318886502067 40.078 *3 Ca 0.96210404318887 0.26841420738520 0.97812003346614 40.078 *4 Ca 0.00000000000000 0.43929998490205 0.25000000000000 40.078 5 Ca 0.03789595681113 0.26841420738520 0.52187996653386 40.078 6 Ca 0.50000000000000 0.06070001509795 0.75000000000000 40.078 7 Ca 0.20410527783109 0.10618806349893 0.11652861633395 40.078 8 Ca 0.77021363700294 0.14519815144439 0.62681113497933 40.078 9 Ca 0.72978636299706 0.35480184855560 0.12681113497933 40.078 10 Ca 0.03789595681113 0.73158579261480 0.02187996653386 40.078 11 Ca 0.70410527783109 0.60618806349893 0.38347138366605 40.078 12 Ca 0.27021363700294 0.64519815144439 0.87318886502067 40.078 13 Ca 0.46210404318887 0.23158579261480 0.02187996653386 40.078 14 Ca 0.20410527783109 0.89381193650107 0.61652861633395 40.078 15 Ca 0.70410527783109 0.39381193650107 0.88347138366605 40.078 16 Ca 0.29589472216891 0.60618806349893 0.11652861633395 40.078 17 Ca 0.53789595681113 0.76841420738520 0.97812003346614 40.078 18 Ca 0.22978636299706 0.85480184855561 0.37318886502067 40.078 19 Ca 0.79589472216891 0.89381193650107 0.88347138366605 40.078 20 Ca 0.53789595681113 0.23158579261480 0.47812003346614 40.078 21 Ca 0.50000000000000 0.93929998490205 0.25000000000000 40.078 22 Ca 0.46210404318887 0.76841420738520 0.52187996653386 40.078 23 Ca 0.29589472216891 0.39381193650107 0.61652861633395 40.078 24 Ca 0.96210404318887 0.73158579261480 0.47812003346614 40.078 25 Ca 0.72978636299706 0.64519815144439 0.62681113497933 40.078 26 Ca 0.00000000000000 0.56070001509795 0.75000000000000 40.078 27 Ca 0.22978636299706 0.14519815144439 0.87318886502067 40.078 28 Ca 0.77021363700294 0.85480184855561 0.12681113497933 40.078 *29 Ge 0.00000000000000 0.06872629537474 0.75000000000000 72.640 30 Ge 0.50000000000000 0.56872629537474 0.75000000000000 72.640 31 Ge 0.00000000000000 0.93127370462526 0.25000000000000 72.640 32 Ge 0.50000000000000 0.43127370462526 0.25000000000000 72.640 *33 N 0.95079366167761 0.11019033798166 0.13993153482571 14.007 *34 N 0.86660422644960 0.75063627654253 0.29358761086206 14.007 35 N 0.63339577355040 0.74936372345747 0.79358761086206 14.007 *36 N 0.83354125618391 0.59409338523678 0.00591650484639 14.007 37 N 0.86660422644960 0.24936372345747 0.79358761086206 14.007 38 N 0.13339577355040 0.75063627654253 0.20641238913794 14.007 39 N 0.16645874381609 0.59409338523678 0.49408349515361 14.007 40 N 0.66645874381609 0.09409338523678 0.00591650484639 14.007 41 N 0.36660422644960 0.74936372345747 0.70641238913794 14.007 42 N 0.13339577355040 0.24936372345747 0.70641238913794 14.007 43 N 0.04920633832240 0.11019033798166 0.36006846517429 14.007 44 N 0.66645874381609 0.90590661476322 0.50591650484640 14.007 45 N 0.04920633832240 0.88980966201834 0.86006846517429 14.007 46 N 0.83354125618391 0.40590661476322 0.50591650484640 14.007 47 N 0.95079366167761 0.88980966201834 0.63993153482571 14.007 48 N 0.45079366167760 0.38980966201834 0.86006846517429 14.007 49 N 0.33354125618391 0.90590661476322 0.99408349515360 14.007 50 N 0.63339577355040 0.25063627654253 0.29358761086206 14.007 51 N 0.16645874381609 0.40590661476322 0.99408349515360 14.007 52 N 0.36660422644960 0.25063627654253 0.20641238913794 14.007 53 N 0.33354125618391 0.09409338523678 0.49408349515361 14.007 54 N 0.54920633832239 0.61019033798166 0.13993153482571 14.007 55 N 0.54920633832239 0.38980966201834 0.63993153482571 14.007 56 N 0.45079366167760 0.61019033798166 0.36006846517429 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.124947300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): *1 Ca 0.79589472216891 0.10618806349893 0.38347138366605 40.078 > 1 *2 Ca 0.27021363700294 0.35480184855560 0.37318886502067 40.078 > 2 *3 Ca 0.96210404318887 0.26841420738520 0.97812003346614 40.078 > 3 *4 Ca 0.00000000000000 0.43929998490205 0.25000000000000 40.078 > 4 5 Ca 0.03789595681113 0.26841420738520 0.52187996653386 40.078 > 5 6 Ca 0.50000000000000 0.06070001509795 0.75000000000000 40.078 > 6 7 Ca 0.20410527783109 0.10618806349893 0.11652861633395 40.078 > 7 8 Ca 0.77021363700294 0.14519815144439 0.62681113497933 40.078 > 8 9 Ca 0.72978636299706 0.35480184855560 0.12681113497933 40.078 > 9 10 Ca 0.03789595681113 0.73158579261480 0.02187996653386 40.078 > 10 11 Ca 0.70410527783109 0.60618806349893 0.38347138366605 40.078 > 11 12 Ca 0.27021363700294 0.64519815144439 0.87318886502067 40.078 > 12 13 Ca 0.46210404318887 0.23158579261480 0.02187996653386 40.078 > 13 14 Ca 0.20410527783109 0.89381193650107 0.61652861633395 40.078 > 14 15 Ca 0.70410527783109 0.39381193650107 0.88347138366605 40.078 > 15 16 Ca 0.29589472216891 0.60618806349893 0.11652861633395 40.078 > 16 17 Ca 0.53789595681113 0.76841420738520 0.97812003346614 40.078 > 17 18 Ca 0.22978636299706 0.85480184855561 0.37318886502067 40.078 > 18 19 Ca 0.79589472216891 0.89381193650107 0.88347138366605 40.078 > 19 20 Ca 0.53789595681113 0.23158579261480 0.47812003346614 40.078 > 20 21 Ca 0.50000000000000 0.93929998490205 0.25000000000000 40.078 > 21 22 Ca 0.46210404318887 0.76841420738520 0.52187996653386 40.078 > 22 23 Ca 0.29589472216891 0.39381193650107 0.61652861633395 40.078 > 23 24 Ca 0.96210404318887 0.73158579261480 0.47812003346614 40.078 > 24 25 Ca 0.72978636299706 0.64519815144439 0.62681113497933 40.078 > 25 26 Ca 0.00000000000000 0.56070001509795 0.75000000000000 40.078 > 26 27 Ca 0.22978636299706 0.14519815144439 0.87318886502067 40.078 > 27 28 Ca 0.77021363700294 0.85480184855561 0.12681113497933 40.078 > 28 *29 Ge 0.00000000000000 0.06872629537474 0.75000000000000 72.640 > 29 30 Ge 0.50000000000000 0.56872629537474 0.75000000000000 72.640 > 30 31 Ge 0.00000000000000 0.93127370462526 0.25000000000000 72.640 > 31 32 Ge 0.50000000000000 0.43127370462526 0.25000000000000 72.640 > 32 *33 N 0.95079366167761 0.11019033798166 0.13993153482571 14.007 > 33 *34 N 0.86660422644960 0.75063627654253 0.29358761086206 14.007 > 34 35 N 0.63339577355040 0.74936372345747 0.79358761086206 14.007 > 35 *36 N 0.83354125618391 0.59409338523678 0.00591650484639 14.007 > 36 37 N 0.86660422644960 0.24936372345747 0.79358761086206 14.007 > 37 38 N 0.13339577355040 0.75063627654253 0.20641238913794 14.007 > 38 39 N 0.16645874381609 0.59409338523678 0.49408349515361 14.007 > 39 40 N 0.66645874381609 0.09409338523678 0.00591650484639 14.007 > 40 41 N 0.36660422644960 0.74936372345747 0.70641238913794 14.007 > 41 42 N 0.13339577355040 0.24936372345747 0.70641238913794 14.007 > 42 43 N 0.04920633832240 0.11019033798166 0.36006846517429 14.007 > 43 44 N 0.66645874381609 0.90590661476322 0.50591650484640 14.007 > 44 45 N 0.04920633832240 0.88980966201834 0.86006846517429 14.007 > 45 46 N 0.83354125618391 0.40590661476322 0.50591650484640 14.007 > 46 47 N 0.95079366167761 0.88980966201834 0.63993153482571 14.007 > 47 48 N 0.45079366167760 0.38980966201834 0.86006846517429 14.007 > 48 49 N 0.33354125618391 0.90590661476322 0.99408349515360 14.007 > 49 50 N 0.63339577355040 0.25063627654253 0.29358761086206 14.007 > 50 51 N 0.16645874381609 0.40590661476322 0.99408349515360 14.007 > 51 52 N 0.36660422644960 0.25063627654253 0.20641238913794 14.007 > 52 53 N 0.33354125618391 0.09409338523678 0.49408349515361 14.007 > 53 54 N 0.54920633832239 0.61019033798166 0.13993153482571 14.007 > 54 55 N 0.54920633832239 0.38980966201834 0.63993153482571 14.007 > 55 56 N 0.45079366167760 0.61019033798166 0.36006846517429 14.007 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.249894599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): *1 Ca 0.79589472216891 0.05309403174946 0.38347138366605 40.078 > 1 2 Ca 0.79589472216891 0.55309403174946 0.38347138366605 40.078 > 1 *3 Ca 0.27021363700294 0.17740092427780 0.37318886502067 40.078 > 2 4 Ca 0.27021363700294 0.67740092427780 0.37318886502067 40.078 > 2 *5 Ca 0.96210404318887 0.13420710369260 0.97812003346614 40.078 > 3 6 Ca 0.96210404318887 0.63420710369260 0.97812003346614 40.078 > 3 *7 Ca 0.00000000000000 0.21964999245102 0.25000000000000 40.078 > 4 8 Ca 0.00000000000000 0.71964999245102 0.25000000000000 40.078 > 4 9 Ca 0.03789595681113 0.13420710369260 0.52187996653386 40.078 > 5 10 Ca 0.03789595681113 0.63420710369260 0.52187996653386 40.078 > 5 11 Ca 0.50000000000000 0.03035000754898 0.75000000000000 40.078 > 6 12 Ca 0.50000000000000 0.53035000754898 0.75000000000000 40.078 > 6 13 Ca 0.20410527783109 0.05309403174946 0.11652861633395 40.078 > 7 14 Ca 0.20410527783109 0.55309403174946 0.11652861633395 40.078 > 7 15 Ca 0.77021363700294 0.07259907572220 0.62681113497933 40.078 > 8 16 Ca 0.77021363700294 0.57259907572220 0.62681113497933 40.078 > 8 17 Ca 0.72978636299706 0.17740092427780 0.12681113497933 40.078 > 9 18 Ca 0.72978636299706 0.67740092427780 0.12681113497933 40.078 > 9 19 Ca 0.03789595681113 0.36579289630740 0.02187996653386 40.078 > 10 20 Ca 0.03789595681113 0.86579289630740 0.02187996653386 40.078 > 10 21 Ca 0.70410527783109 0.30309403174946 0.38347138366605 40.078 > 11 22 Ca 0.70410527783109 0.80309403174946 0.38347138366605 40.078 > 11 23 Ca 0.27021363700294 0.32259907572220 0.87318886502067 40.078 > 12 24 Ca 0.27021363700294 0.82259907572220 0.87318886502067 40.078 > 12 25 Ca 0.46210404318887 0.11579289630740 0.02187996653386 40.078 > 13 26 Ca 0.46210404318887 0.61579289630740 0.02187996653386 40.078 > 13 27 Ca 0.20410527783109 0.44690596825054 0.61652861633395 40.078 > 14 28 Ca 0.20410527783109 0.94690596825054 0.61652861633395 40.078 > 14 29 Ca 0.70410527783109 0.19690596825054 0.88347138366605 40.078 > 15 30 Ca 0.70410527783109 0.69690596825054 0.88347138366605 40.078 > 15 31 Ca 0.29589472216891 0.30309403174946 0.11652861633395 40.078 > 16 32 Ca 0.29589472216891 0.80309403174946 0.11652861633395 40.078 > 16 33 Ca 0.53789595681113 0.38420710369260 0.97812003346614 40.078 > 17 34 Ca 0.53789595681113 0.88420710369260 0.97812003346614 40.078 > 17 35 Ca 0.22978636299706 0.42740092427780 0.37318886502067 40.078 > 18 36 Ca 0.22978636299706 0.92740092427780 0.37318886502067 40.078 > 18 37 Ca 0.79589472216891 0.44690596825054 0.88347138366605 40.078 > 19 38 Ca 0.79589472216891 0.94690596825054 0.88347138366605 40.078 > 19 39 Ca 0.53789595681113 0.11579289630740 0.47812003346614 40.078 > 20 40 Ca 0.53789595681113 0.61579289630740 0.47812003346614 40.078 > 20 41 Ca 0.50000000000000 0.46964999245102 0.25000000000000 40.078 > 21 42 Ca 0.50000000000000 0.96964999245102 0.25000000000000 40.078 > 21 43 Ca 0.46210404318887 0.38420710369260 0.52187996653386 40.078 > 22 44 Ca 0.46210404318887 0.88420710369260 0.52187996653386 40.078 > 22 45 Ca 0.29589472216891 0.19690596825054 0.61652861633395 40.078 > 23 46 Ca 0.29589472216891 0.69690596825054 0.61652861633395 40.078 > 23 47 Ca 0.96210404318887 0.36579289630740 0.47812003346614 40.078 > 24 48 Ca 0.96210404318887 0.86579289630740 0.47812003346614 40.078 > 24 49 Ca 0.72978636299706 0.32259907572220 0.62681113497933 40.078 > 25 50 Ca 0.72978636299706 0.82259907572220 0.62681113497933 40.078 > 25 51 Ca 0.00000000000000 0.28035000754898 0.75000000000000 40.078 > 26 52 Ca 0.00000000000000 0.78035000754898 0.75000000000000 40.078 > 26 53 Ca 0.22978636299706 0.07259907572220 0.87318886502067 40.078 > 27 54 Ca 0.22978636299706 0.57259907572220 0.87318886502067 40.078 > 27 55 Ca 0.77021363700294 0.42740092427780 0.12681113497933 40.078 > 28 56 Ca 0.77021363700294 0.92740092427780 0.12681113497933 40.078 > 28 *57 Ge 0.00000000000000 0.03436314768737 0.75000000000000 72.640 > 29 58 Ge 0.00000000000000 0.53436314768737 0.75000000000000 72.640 > 29 59 Ge 0.50000000000000 0.28436314768737 0.75000000000000 72.640 > 30 60 Ge 0.50000000000000 0.78436314768737 0.75000000000000 72.640 > 30 61 Ge 0.00000000000000 0.46563685231263 0.25000000000000 72.640 > 31 62 Ge 0.00000000000000 0.96563685231263 0.25000000000000 72.640 > 31 63 Ge 0.50000000000000 0.21563685231263 0.25000000000000 72.640 > 32 64 Ge 0.50000000000000 0.71563685231263 0.25000000000000 72.640 > 32 *65 N 0.95079366167761 0.05509516899083 0.13993153482571 14.007 > 33 66 N 0.95079366167761 0.55509516899083 0.13993153482571 14.007 > 33 *67 N 0.86660422644960 0.37531813827126 0.29358761086206 14.007 > 34 68 N 0.86660422644960 0.87531813827126 0.29358761086206 14.007 > 34 69 N 0.63339577355040 0.37468186172874 0.79358761086206 14.007 > 35 70 N 0.63339577355040 0.87468186172874 0.79358761086206 14.007 > 35 *71 N 0.83354125618391 0.29704669261839 0.00591650484639 14.007 > 36 72 N 0.83354125618391 0.79704669261839 0.00591650484639 14.007 > 36 73 N 0.86660422644960 0.12468186172874 0.79358761086206 14.007 > 37 74 N 0.86660422644960 0.62468186172874 0.79358761086206 14.007 > 37 75 N 0.13339577355040 0.37531813827126 0.20641238913794 14.007 > 38 76 N 0.13339577355040 0.87531813827126 0.20641238913794 14.007 > 38 77 N 0.16645874381609 0.29704669261839 0.49408349515361 14.007 > 39 78 N 0.16645874381609 0.79704669261839 0.49408349515361 14.007 > 39 79 N 0.66645874381609 0.04704669261839 0.00591650484639 14.007 > 40 80 N 0.66645874381609 0.54704669261839 0.00591650484639 14.007 > 40 81 N 0.36660422644960 0.37468186172874 0.70641238913794 14.007 > 41 82 N 0.36660422644960 0.87468186172874 0.70641238913794 14.007 > 41 83 N 0.13339577355040 0.12468186172874 0.70641238913794 14.007 > 42 84 N 0.13339577355040 0.62468186172874 0.70641238913794 14.007 > 42 85 N 0.04920633832240 0.05509516899083 0.36006846517429 14.007 > 43 86 N 0.04920633832240 0.55509516899083 0.36006846517429 14.007 > 43 87 N 0.66645874381609 0.45295330738161 0.50591650484640 14.007 > 44 88 N 0.66645874381609 0.95295330738161 0.50591650484640 14.007 > 44 89 N 0.04920633832240 0.44490483100917 0.86006846517429 14.007 > 45 90 N 0.04920633832240 0.94490483100917 0.86006846517429 14.007 > 45 91 N 0.83354125618391 0.20295330738161 0.50591650484640 14.007 > 46 92 N 0.83354125618391 0.70295330738161 0.50591650484640 14.007 > 46 93 N 0.95079366167761 0.44490483100917 0.63993153482571 14.007 > 47 94 N 0.95079366167761 0.94490483100917 0.63993153482571 14.007 > 47 95 N 0.45079366167760 0.19490483100917 0.86006846517429 14.007 > 48 96 N 0.45079366167760 0.69490483100917 0.86006846517429 14.007 > 48 97 N 0.33354125618391 0.45295330738161 0.99408349515360 14.007 > 49 98 N 0.33354125618391 0.95295330738161 0.99408349515360 14.007 > 49 99 N 0.63339577355040 0.12531813827126 0.29358761086206 14.007 > 50 100 N 0.63339577355040 0.62531813827126 0.29358761086206 14.007 > 50 101 N 0.16645874381609 0.20295330738161 0.99408349515360 14.007 > 51 102 N 0.16645874381609 0.70295330738161 0.99408349515360 14.007 > 51 103 N 0.36660422644960 0.12531813827126 0.20641238913794 14.007 > 52 104 N 0.36660422644960 0.62531813827126 0.20641238913794 14.007 > 52 105 N 0.33354125618391 0.04704669261839 0.49408349515361 14.007 > 53 106 N 0.33354125618391 0.54704669261839 0.49408349515361 14.007 > 53 107 N 0.54920633832239 0.30509516899083 0.13993153482571 14.007 > 54 108 N 0.54920633832239 0.80509516899083 0.13993153482571 14.007 > 54 109 N 0.54920633832239 0.19490483100917 0.63993153482571 14.007 > 55 110 N 0.54920633832239 0.69490483100917 0.63993153482571 14.007 > 55 111 N 0.45079366167760 0.30509516899083 0.36006846517429 14.007 > 56 112 N 0.45079366167760 0.80509516899083 0.36006846517429 14.007 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2901246 0.0000000 0.0000000 0.0000000 6.1963171 0.0000000 0.0000000 0.0000000 6.1453641 -------------------------- Born effective charges -------------------------- 1 Ca 2.2829519 -0.0710909 -0.0876008 -0.1943420 2.0157869 0.0591657 -0.1507544 0.1210435 2.1541399 2 Ca 2.0505465 0.0036967 -0.2678052 0.0920949 2.1246184 -0.1986304 -0.2833571 -0.1656299 1.9673497 3 Ca 2.3463399 -0.0947134 -0.0042231 -0.0318294 1.9976172 -0.1354518 -0.0301033 0.0141726 2.1235595 4 Ca 1.9446743 0.0000000 -0.0591779 -0.0000000 3.1584964 -0.0000000 -0.0062900 0.0000000 2.4191630 5 Ca 2.3463399 0.0947134 -0.0042231 0.0318294 1.9976172 0.1354518 -0.0301033 -0.0141726 2.1235595 6 Ca 1.9446743 0.0000000 0.0591779 -0.0000000 3.1584964 -0.0000000 0.0062900 0.0000000 2.4191630 7 Ca 2.2829519 0.0710909 -0.0876008 0.1943420 2.0157869 -0.0591657 -0.1507544 -0.1210435 2.1541399 8 Ca 2.0505465 -0.0036967 0.2678052 -0.0920949 2.1246184 -0.1986304 0.2833571 -0.1656299 1.9673497 9 Ca 2.0505465 -0.0036967 -0.2678052 -0.0920949 2.1246184 0.1986304 -0.2833571 0.1656299 1.9673497 10 Ca 2.3463399 -0.0947134 -0.0042231 -0.0318294 1.9976172 -0.1354518 -0.0301033 0.0141726 2.1235595 11 Ca 2.2829519 0.0710909 0.0876008 0.1943420 2.0157869 0.0591657 0.1507544 0.1210435 2.1541399 12 Ca 2.0505465 -0.0036967 -0.2678052 -0.0920949 2.1246184 0.1986304 -0.2833571 0.1656299 1.9673497 13 Ca 2.3463399 0.0947134 0.0042231 0.0318294 1.9976172 -0.1354518 0.0301033 0.0141726 2.1235595 14 Ca 2.2829519 -0.0710909 -0.0876008 -0.1943420 2.0157869 0.0591657 -0.1507544 0.1210435 2.1541399 15 Ca 2.2829519 -0.0710909 0.0876008 -0.1943420 2.0157869 -0.0591657 0.1507544 -0.1210435 2.1541399 16 Ca 2.2829519 -0.0710909 0.0876008 -0.1943420 2.0157869 -0.0591657 0.1507544 -0.1210435 2.1541399 17 Ca 2.3463399 0.0947134 0.0042231 0.0318294 1.9976172 -0.1354518 0.0301033 0.0141726 2.1235595 18 Ca 2.0505465 -0.0036967 0.2678052 -0.0920949 2.1246184 -0.1986304 0.2833571 -0.1656299 1.9673497 19 Ca 2.2829519 0.0710909 -0.0876008 0.1943420 2.0157869 -0.0591657 -0.1507544 -0.1210435 2.1541399 20 Ca 2.3463399 -0.0947134 0.0042231 -0.0318294 1.9976172 0.1354518 0.0301033 -0.0141726 2.1235595 21 Ca 1.9446743 0.0000000 0.0591779 -0.0000000 3.1584964 -0.0000000 0.0062900 0.0000000 2.4191630 22 Ca 2.3463399 -0.0947134 0.0042231 -0.0318294 1.9976172 0.1354518 0.0301033 -0.0141726 2.1235595 23 Ca 2.2829519 0.0710909 0.0876008 0.1943420 2.0157869 0.0591657 0.1507544 0.1210435 2.1541399 24 Ca 2.3463399 0.0947134 -0.0042231 0.0318294 1.9976172 0.1354518 -0.0301033 -0.0141726 2.1235595 25 Ca 2.0505465 0.0036967 -0.2678052 0.0920949 2.1246184 -0.1986304 -0.2833571 -0.1656299 1.9673497 26 Ca 1.9446743 0.0000000 -0.0591779 -0.0000000 3.1584964 -0.0000000 -0.0062900 0.0000000 2.4191630 27 Ca 2.0505465 0.0036967 0.2678052 0.0920949 2.1246184 0.1986304 0.2833571 0.1656299 1.9673497 28 Ca 2.0505465 0.0036967 0.2678052 0.0920949 2.1246184 0.1986304 0.2833571 0.1656299 1.9673497 29 Ge 2.8303033 0.0000000 -0.0745536 -0.0000000 2.5321652 -0.0000000 0.0460262 0.0000000 2.8337540 30 Ge 2.8303033 0.0000000 0.0745536 -0.0000000 2.5321652 -0.0000000 -0.0460262 0.0000000 2.8337540 31 Ge 2.8303033 0.0000000 -0.0745536 -0.0000000 2.5321652 -0.0000000 0.0460262 0.0000000 2.8337540 32 Ge 2.8303033 0.0000000 0.0745536 -0.0000000 2.5321652 -0.0000000 -0.0460262 0.0000000 2.8337540 33 N -2.6706964 0.1886457 -0.2750920 0.0609982 -2.9015891 0.4060831 -0.2040041 0.5648016 -3.1917845 34 N -3.2150935 -0.5800031 0.3668661 -0.3926090 -2.8625694 0.1741955 0.3336363 0.1964018 -2.8649238 35 N -3.2150935 -0.5800031 -0.3668661 -0.3926090 -2.8625694 -0.1741955 -0.3336363 -0.1964018 -2.8649238 36 N -3.1815372 -0.0176143 -0.0051861 0.0153520 -3.2191948 -0.0980303 0.0345270 -0.0787420 -2.8147992 37 N -3.2150935 0.5800031 0.3668661 0.3926090 -2.8625694 -0.1741955 0.3336363 -0.1964018 -2.8649238 38 N -3.2150935 0.5800031 0.3668661 0.3926090 -2.8625694 -0.1741955 0.3336363 -0.1964018 -2.8649238 39 N -3.1815372 0.0176143 -0.0051861 -0.0153520 -3.2191948 0.0980303 0.0345270 0.0787420 -2.8147992 40 N -3.1815372 0.0176143 0.0051861 -0.0153520 -3.2191948 -0.0980303 -0.0345270 -0.0787420 -2.8147992 41 N -3.2150935 0.5800031 -0.3668661 0.3926090 -2.8625694 0.1741955 -0.3336363 0.1964018 -2.8649238 42 N -3.2150935 -0.5800031 0.3668661 -0.3926090 -2.8625694 0.1741955 0.3336363 0.1964018 -2.8649238 43 N -2.6706964 -0.1886457 -0.2750920 -0.0609982 -2.9015891 -0.4060831 -0.2040041 -0.5648016 -3.1917845 44 N -3.1815372 -0.0176143 0.0051861 0.0153520 -3.2191948 0.0980303 -0.0345270 0.0787420 -2.8147992 45 N -2.6706964 0.1886457 -0.2750920 0.0609982 -2.9015891 0.4060831 -0.2040041 0.5648016 -3.1917845 46 N -3.1815372 0.0176143 -0.0051861 -0.0153520 -3.2191948 0.0980303 0.0345270 0.0787420 -2.8147992 47 N -2.6706964 -0.1886457 -0.2750920 -0.0609982 -2.9015891 -0.4060831 -0.2040041 -0.5648016 -3.1917845 48 N -2.6706964 -0.1886457 0.2750920 -0.0609982 -2.9015891 0.4060831 0.2040041 0.5648016 -3.1917845 49 N -3.1815372 0.0176143 0.0051861 -0.0153520 -3.2191948 -0.0980303 -0.0345270 -0.0787420 -2.8147992 50 N -3.2150935 0.5800031 -0.3668661 0.3926090 -2.8625694 0.1741955 -0.3336363 0.1964018 -2.8649238 51 N -3.1815372 -0.0176143 -0.0051861 0.0153520 -3.2191948 -0.0980303 0.0345270 -0.0787420 -2.8147992 52 N -3.2150935 -0.5800031 -0.3668661 -0.3926090 -2.8625694 -0.1741955 -0.3336363 -0.1964018 -2.8649238 53 N -3.1815372 -0.0176143 0.0051861 0.0153520 -3.2191948 0.0980303 -0.0345270 0.0787420 -2.8147992 54 N -2.6706964 -0.1886457 0.2750920 -0.0609982 -2.9015891 0.4060831 0.2040041 0.5648016 -3.1917845 55 N -2.6706964 0.1886457 0.2750920 0.0609982 -2.9015891 -0.4060831 0.2040041 -0.5648016 -3.1917845 56 N -2.6706964 0.1886457 0.2750920 0.0609982 -2.9015891 -0.4060831 0.2040041 -0.5648016 -3.1917845 ---------------------------------------------------------------------------- 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: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 238), data: True |-- (250, 239), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.066 Solver_block: 200 / 880 - Time: 0.886 Solver_block: 300 / 880 - Time: 0.866 Solver_block: 400 / 880 - Time: 0.885 Solver_block: 500 / 880 - Time: 0.881 Solver_block: 600 / 880 - Time: 0.880 Solver_block: 700 / 880 - Time: 0.883 Solver_block: 800 / 880 - Time: 0.883 Solver_block: 880 / 880 - Time: 0.750 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.153 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 238), data: True |-- (250, 239), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:58:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:58:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.124947300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): 1 Ca 0.79589472216891 0.10618806349893 0.38347138366605 40.078 2 Ca 0.27021363700294 0.35480184855560 0.37318886502067 40.078 3 Ca 0.96210404318887 0.26841420738520 0.97812003346614 40.078 4 Ca 0.00000000000000 0.43929998490205 0.25000000000000 40.078 5 Ca 0.03789595681113 0.26841420738520 0.52187996653386 40.078 6 Ca 0.50000000000000 0.06070001509795 0.75000000000000 40.078 7 Ca 0.20410527783109 0.10618806349893 0.11652861633395 40.078 8 Ca 0.77021363700294 0.14519815144439 0.62681113497933 40.078 9 Ca 0.72978636299706 0.35480184855560 0.12681113497933 40.078 10 Ca 0.03789595681113 0.73158579261480 0.02187996653386 40.078 11 Ca 0.70410527783109 0.60618806349893 0.38347138366605 40.078 12 Ca 0.27021363700294 0.64519815144439 0.87318886502067 40.078 13 Ca 0.46210404318887 0.23158579261480 0.02187996653386 40.078 14 Ca 0.20410527783109 0.89381193650107 0.61652861633395 40.078 15 Ca 0.70410527783109 0.39381193650107 0.88347138366605 40.078 16 Ca 0.29589472216891 0.60618806349893 0.11652861633395 40.078 17 Ca 0.53789595681113 0.76841420738520 0.97812003346614 40.078 18 Ca 0.22978636299706 0.85480184855561 0.37318886502067 40.078 19 Ca 0.79589472216891 0.89381193650107 0.88347138366605 40.078 20 Ca 0.53789595681113 0.23158579261480 0.47812003346614 40.078 21 Ca 0.50000000000000 0.93929998490205 0.25000000000000 40.078 22 Ca 0.46210404318887 0.76841420738520 0.52187996653386 40.078 23 Ca 0.29589472216891 0.39381193650107 0.61652861633395 40.078 24 Ca 0.96210404318887 0.73158579261480 0.47812003346614 40.078 25 Ca 0.72978636299706 0.64519815144439 0.62681113497933 40.078 26 Ca 0.00000000000000 0.56070001509795 0.75000000000000 40.078 27 Ca 0.22978636299706 0.14519815144439 0.87318886502067 40.078 28 Ca 0.77021363700294 0.85480184855561 0.12681113497933 40.078 29 Ge 0.00000000000000 0.06872629537474 0.75000000000000 72.640 30 Ge 0.50000000000000 0.56872629537474 0.75000000000000 72.640 31 Ge 0.00000000000000 0.93127370462526 0.25000000000000 72.640 32 Ge 0.50000000000000 0.43127370462526 0.25000000000000 72.640 33 N 0.95079366167761 0.11019033798166 0.13993153482571 14.007 34 N 0.86660422644960 0.75063627654253 0.29358761086206 14.007 35 N 0.63339577355040 0.74936372345747 0.79358761086206 14.007 36 N 0.83354125618391 0.59409338523678 0.00591650484639 14.007 37 N 0.86660422644960 0.24936372345747 0.79358761086206 14.007 38 N 0.13339577355040 0.75063627654253 0.20641238913794 14.007 39 N 0.16645874381609 0.59409338523678 0.49408349515361 14.007 40 N 0.66645874381609 0.09409338523678 0.00591650484639 14.007 41 N 0.36660422644960 0.74936372345747 0.70641238913794 14.007 42 N 0.13339577355040 0.24936372345747 0.70641238913794 14.007 43 N 0.04920633832240 0.11019033798166 0.36006846517429 14.007 44 N 0.66645874381609 0.90590661476322 0.50591650484640 14.007 45 N 0.04920633832240 0.88980966201834 0.86006846517429 14.007 46 N 0.83354125618391 0.40590661476322 0.50591650484640 14.007 47 N 0.95079366167761 0.88980966201834 0.63993153482571 14.007 48 N 0.45079366167760 0.38980966201834 0.86006846517429 14.007 49 N 0.33354125618391 0.90590661476322 0.99408349515360 14.007 50 N 0.63339577355040 0.25063627654253 0.29358761086206 14.007 51 N 0.16645874381609 0.40590661476322 0.99408349515360 14.007 52 N 0.36660422644960 0.25063627654253 0.20641238913794 14.007 53 N 0.33354125618391 0.09409338523678 0.49408349515361 14.007 54 N 0.54920633832239 0.61019033798166 0.13993153482571 14.007 55 N 0.54920633832239 0.38980966201834 0.63993153482571 14.007 56 N 0.45079366167760 0.61019033798166 0.36006846517429 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.249894599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): 1 Ca 0.79589472216891 0.05309403174946 0.38347138366605 40.078 > 1 2 Ca 0.79589472216891 0.55309403174946 0.38347138366605 40.078 > 1 3 Ca 0.27021363700294 0.17740092427780 0.37318886502067 40.078 > 3 4 Ca 0.27021363700294 0.67740092427780 0.37318886502067 40.078 > 3 5 Ca 0.96210404318887 0.13420710369260 0.97812003346614 40.078 > 5 6 Ca 0.96210404318887 0.63420710369260 0.97812003346614 40.078 > 5 7 Ca 0.00000000000000 0.21964999245102 0.25000000000000 40.078 > 7 8 Ca 0.00000000000000 0.71964999245102 0.25000000000000 40.078 > 7 9 Ca 0.03789595681113 0.13420710369260 0.52187996653386 40.078 > 9 10 Ca 0.03789595681113 0.63420710369260 0.52187996653386 40.078 > 9 11 Ca 0.50000000000000 0.03035000754898 0.75000000000000 40.078 > 11 12 Ca 0.50000000000000 0.53035000754898 0.75000000000000 40.078 > 11 13 Ca 0.20410527783109 0.05309403174946 0.11652861633395 40.078 > 13 14 Ca 0.20410527783109 0.55309403174946 0.11652861633395 40.078 > 13 15 Ca 0.77021363700294 0.07259907572220 0.62681113497933 40.078 > 15 16 Ca 0.77021363700294 0.57259907572220 0.62681113497933 40.078 > 15 17 Ca 0.72978636299706 0.17740092427780 0.12681113497933 40.078 > 17 18 Ca 0.72978636299706 0.67740092427780 0.12681113497933 40.078 > 17 19 Ca 0.03789595681113 0.36579289630740 0.02187996653386 40.078 > 19 20 Ca 0.03789595681113 0.86579289630740 0.02187996653386 40.078 > 19 21 Ca 0.70410527783109 0.30309403174946 0.38347138366605 40.078 > 21 22 Ca 0.70410527783109 0.80309403174946 0.38347138366605 40.078 > 21 23 Ca 0.27021363700294 0.32259907572220 0.87318886502067 40.078 > 23 24 Ca 0.27021363700294 0.82259907572220 0.87318886502067 40.078 > 23 25 Ca 0.46210404318887 0.11579289630740 0.02187996653386 40.078 > 25 26 Ca 0.46210404318887 0.61579289630740 0.02187996653386 40.078 > 25 27 Ca 0.20410527783109 0.44690596825054 0.61652861633395 40.078 > 27 28 Ca 0.20410527783109 0.94690596825054 0.61652861633395 40.078 > 27 29 Ca 0.70410527783109 0.19690596825054 0.88347138366605 40.078 > 29 30 Ca 0.70410527783109 0.69690596825054 0.88347138366605 40.078 > 29 31 Ca 0.29589472216891 0.30309403174946 0.11652861633395 40.078 > 31 32 Ca 0.29589472216891 0.80309403174946 0.11652861633395 40.078 > 31 33 Ca 0.53789595681113 0.38420710369260 0.97812003346614 40.078 > 33 34 Ca 0.53789595681113 0.88420710369260 0.97812003346614 40.078 > 33 35 Ca 0.22978636299706 0.42740092427780 0.37318886502067 40.078 > 35 36 Ca 0.22978636299706 0.92740092427780 0.37318886502067 40.078 > 35 37 Ca 0.79589472216891 0.44690596825054 0.88347138366605 40.078 > 37 38 Ca 0.79589472216891 0.94690596825054 0.88347138366605 40.078 > 37 39 Ca 0.53789595681113 0.11579289630740 0.47812003346614 40.078 > 39 40 Ca 0.53789595681113 0.61579289630740 0.47812003346614 40.078 > 39 41 Ca 0.50000000000000 0.46964999245102 0.25000000000000 40.078 > 41 42 Ca 0.50000000000000 0.96964999245102 0.25000000000000 40.078 > 41 43 Ca 0.46210404318887 0.38420710369260 0.52187996653386 40.078 > 43 44 Ca 0.46210404318887 0.88420710369260 0.52187996653386 40.078 > 43 45 Ca 0.29589472216891 0.19690596825054 0.61652861633395 40.078 > 45 46 Ca 0.29589472216891 0.69690596825054 0.61652861633395 40.078 > 45 47 Ca 0.96210404318887 0.36579289630740 0.47812003346614 40.078 > 47 48 Ca 0.96210404318887 0.86579289630740 0.47812003346614 40.078 > 47 49 Ca 0.72978636299706 0.32259907572220 0.62681113497933 40.078 > 49 50 Ca 0.72978636299706 0.82259907572220 0.62681113497933 40.078 > 49 51 Ca 0.00000000000000 0.28035000754898 0.75000000000000 40.078 > 51 52 Ca 0.00000000000000 0.78035000754898 0.75000000000000 40.078 > 51 53 Ca 0.22978636299706 0.07259907572220 0.87318886502067 40.078 > 53 54 Ca 0.22978636299706 0.57259907572220 0.87318886502067 40.078 > 53 55 Ca 0.77021363700294 0.42740092427780 0.12681113497933 40.078 > 55 56 Ca 0.77021363700294 0.92740092427780 0.12681113497933 40.078 > 55 57 Ge 0.00000000000000 0.03436314768737 0.75000000000000 72.640 > 57 58 Ge 0.00000000000000 0.53436314768737 0.75000000000000 72.640 > 57 59 Ge 0.50000000000000 0.28436314768737 0.75000000000000 72.640 > 59 60 Ge 0.50000000000000 0.78436314768737 0.75000000000000 72.640 > 59 61 Ge 0.00000000000000 0.46563685231263 0.25000000000000 72.640 > 61 62 Ge 0.00000000000000 0.96563685231263 0.25000000000000 72.640 > 61 63 Ge 0.50000000000000 0.21563685231263 0.25000000000000 72.640 > 63 64 Ge 0.50000000000000 0.71563685231263 0.25000000000000 72.640 > 63 65 N 0.95079366167761 0.05509516899083 0.13993153482571 14.007 > 65 66 N 0.95079366167761 0.55509516899083 0.13993153482571 14.007 > 65 67 N 0.86660422644960 0.37531813827126 0.29358761086206 14.007 > 67 68 N 0.86660422644960 0.87531813827126 0.29358761086206 14.007 > 67 69 N 0.63339577355040 0.37468186172874 0.79358761086206 14.007 > 69 70 N 0.63339577355040 0.87468186172874 0.79358761086206 14.007 > 69 71 N 0.83354125618391 0.29704669261839 0.00591650484639 14.007 > 71 72 N 0.83354125618391 0.79704669261839 0.00591650484639 14.007 > 71 73 N 0.86660422644960 0.12468186172874 0.79358761086206 14.007 > 73 74 N 0.86660422644960 0.62468186172874 0.79358761086206 14.007 > 73 75 N 0.13339577355040 0.37531813827126 0.20641238913794 14.007 > 75 76 N 0.13339577355040 0.87531813827126 0.20641238913794 14.007 > 75 77 N 0.16645874381609 0.29704669261839 0.49408349515361 14.007 > 77 78 N 0.16645874381609 0.79704669261839 0.49408349515361 14.007 > 77 79 N 0.66645874381609 0.04704669261839 0.00591650484639 14.007 > 79 80 N 0.66645874381609 0.54704669261839 0.00591650484639 14.007 > 79 81 N 0.36660422644960 0.37468186172874 0.70641238913794 14.007 > 81 82 N 0.36660422644960 0.87468186172874 0.70641238913794 14.007 > 81 83 N 0.13339577355040 0.12468186172874 0.70641238913794 14.007 > 83 84 N 0.13339577355040 0.62468186172874 0.70641238913794 14.007 > 83 85 N 0.04920633832240 0.05509516899083 0.36006846517429 14.007 > 85 86 N 0.04920633832240 0.55509516899083 0.36006846517429 14.007 > 85 87 N 0.66645874381609 0.45295330738161 0.50591650484640 14.007 > 87 88 N 0.66645874381609 0.95295330738161 0.50591650484640 14.007 > 87 89 N 0.04920633832240 0.44490483100917 0.86006846517429 14.007 > 89 90 N 0.04920633832240 0.94490483100917 0.86006846517429 14.007 > 89 91 N 0.83354125618391 0.20295330738161 0.50591650484640 14.007 > 91 92 N 0.83354125618391 0.70295330738161 0.50591650484640 14.007 > 91 93 N 0.95079366167761 0.44490483100917 0.63993153482571 14.007 > 93 94 N 0.95079366167761 0.94490483100917 0.63993153482571 14.007 > 93 95 N 0.45079366167760 0.19490483100917 0.86006846517429 14.007 > 95 96 N 0.45079366167760 0.69490483100917 0.86006846517429 14.007 > 95 97 N 0.33354125618391 0.45295330738161 0.99408349515360 14.007 > 97 98 N 0.33354125618391 0.95295330738161 0.99408349515360 14.007 > 97 99 N 0.63339577355040 0.12531813827126 0.29358761086206 14.007 > 99 100 N 0.63339577355040 0.62531813827126 0.29358761086206 14.007 > 99 101 N 0.16645874381609 0.20295330738161 0.99408349515360 14.007 > 101 102 N 0.16645874381609 0.70295330738161 0.99408349515360 14.007 > 101 103 N 0.36660422644960 0.12531813827126 0.20641238913794 14.007 > 103 104 N 0.36660422644960 0.62531813827126 0.20641238913794 14.007 > 103 105 N 0.33354125618391 0.04704669261839 0.49408349515361 14.007 > 105 106 N 0.33354125618391 0.54704669261839 0.49408349515361 14.007 > 105 107 N 0.54920633832239 0.30509516899083 0.13993153482571 14.007 > 107 108 N 0.54920633832239 0.80509516899083 0.13993153482571 14.007 > 107 109 N 0.54920633832239 0.19490483100917 0.63993153482571 14.007 > 109 110 N 0.54920633832239 0.69490483100917 0.63993153482571 14.007 > 109 111 N 0.45079366167760 0.30509516899083 0.36006846517429 14.007 > 111 112 N 0.45079366167760 0.80509516899083 0.36006846517429 14.007 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2901246 0.0000000 0.0000000 0.0000000 6.1963171 0.0000000 0.0000000 0.0000000 6.1453641 -------------------------- Born effective charges -------------------------- 1 Ca 2.2829519 -0.0710909 -0.0876008 -0.1943420 2.0157869 0.0591657 -0.1507544 0.1210435 2.1541399 2 Ca 2.0505465 0.0036967 -0.2678052 0.0920949 2.1246184 -0.1986304 -0.2833571 -0.1656299 1.9673497 3 Ca 2.3463399 -0.0947134 -0.0042231 -0.0318294 1.9976172 -0.1354518 -0.0301033 0.0141726 2.1235595 4 Ca 1.9446743 0.0000000 -0.0591779 -0.0000000 3.1584964 -0.0000000 -0.0062900 0.0000000 2.4191630 5 Ca 2.3463399 0.0947134 -0.0042231 0.0318294 1.9976172 0.1354518 -0.0301033 -0.0141726 2.1235595 6 Ca 1.9446743 0.0000000 0.0591779 -0.0000000 3.1584964 -0.0000000 0.0062900 0.0000000 2.4191630 7 Ca 2.2829519 0.0710909 -0.0876008 0.1943420 2.0157869 -0.0591657 -0.1507544 -0.1210435 2.1541399 8 Ca 2.0505465 -0.0036967 0.2678052 -0.0920949 2.1246184 -0.1986304 0.2833571 -0.1656299 1.9673497 9 Ca 2.0505465 -0.0036967 -0.2678052 -0.0920949 2.1246184 0.1986304 -0.2833571 0.1656299 1.9673497 10 Ca 2.3463399 -0.0947134 -0.0042231 -0.0318294 1.9976172 -0.1354518 -0.0301033 0.0141726 2.1235595 11 Ca 2.2829519 0.0710909 0.0876008 0.1943420 2.0157869 0.0591657 0.1507544 0.1210435 2.1541399 12 Ca 2.0505465 -0.0036967 -0.2678052 -0.0920949 2.1246184 0.1986304 -0.2833571 0.1656299 1.9673497 13 Ca 2.3463399 0.0947134 0.0042231 0.0318294 1.9976172 -0.1354518 0.0301033 0.0141726 2.1235595 14 Ca 2.2829519 -0.0710909 -0.0876008 -0.1943420 2.0157869 0.0591657 -0.1507544 0.1210435 2.1541399 15 Ca 2.2829519 -0.0710909 0.0876008 -0.1943420 2.0157869 -0.0591657 0.1507544 -0.1210435 2.1541399 16 Ca 2.2829519 -0.0710909 0.0876008 -0.1943420 2.0157869 -0.0591657 0.1507544 -0.1210435 2.1541399 17 Ca 2.3463399 0.0947134 0.0042231 0.0318294 1.9976172 -0.1354518 0.0301033 0.0141726 2.1235595 18 Ca 2.0505465 -0.0036967 0.2678052 -0.0920949 2.1246184 -0.1986304 0.2833571 -0.1656299 1.9673497 19 Ca 2.2829519 0.0710909 -0.0876008 0.1943420 2.0157869 -0.0591657 -0.1507544 -0.1210435 2.1541399 20 Ca 2.3463399 -0.0947134 0.0042231 -0.0318294 1.9976172 0.1354518 0.0301033 -0.0141726 2.1235595 21 Ca 1.9446743 0.0000000 0.0591779 -0.0000000 3.1584964 -0.0000000 0.0062900 0.0000000 2.4191630 22 Ca 2.3463399 -0.0947134 0.0042231 -0.0318294 1.9976172 0.1354518 0.0301033 -0.0141726 2.1235595 23 Ca 2.2829519 0.0710909 0.0876008 0.1943420 2.0157869 0.0591657 0.1507544 0.1210435 2.1541399 24 Ca 2.3463399 0.0947134 -0.0042231 0.0318294 1.9976172 0.1354518 -0.0301033 -0.0141726 2.1235595 25 Ca 2.0505465 0.0036967 -0.2678052 0.0920949 2.1246184 -0.1986304 -0.2833571 -0.1656299 1.9673497 26 Ca 1.9446743 0.0000000 -0.0591779 -0.0000000 3.1584964 -0.0000000 -0.0062900 0.0000000 2.4191630 27 Ca 2.0505465 0.0036967 0.2678052 0.0920949 2.1246184 0.1986304 0.2833571 0.1656299 1.9673497 28 Ca 2.0505465 0.0036967 0.2678052 0.0920949 2.1246184 0.1986304 0.2833571 0.1656299 1.9673497 29 Ge 2.8303033 0.0000000 -0.0745536 -0.0000000 2.5321652 -0.0000000 0.0460262 0.0000000 2.8337540 30 Ge 2.8303033 0.0000000 0.0745536 -0.0000000 2.5321652 -0.0000000 -0.0460262 0.0000000 2.8337540 31 Ge 2.8303033 0.0000000 -0.0745536 -0.0000000 2.5321652 -0.0000000 0.0460262 0.0000000 2.8337540 32 Ge 2.8303033 0.0000000 0.0745536 -0.0000000 2.5321652 -0.0000000 -0.0460262 0.0000000 2.8337540 33 N -2.6706964 0.1886457 -0.2750920 0.0609982 -2.9015891 0.4060831 -0.2040041 0.5648016 -3.1917845 34 N -3.2150935 -0.5800031 0.3668661 -0.3926090 -2.8625694 0.1741955 0.3336363 0.1964018 -2.8649238 35 N -3.2150935 -0.5800031 -0.3668661 -0.3926090 -2.8625694 -0.1741955 -0.3336363 -0.1964018 -2.8649238 36 N -3.1815372 -0.0176143 -0.0051861 0.0153520 -3.2191948 -0.0980303 0.0345270 -0.0787420 -2.8147992 37 N -3.2150935 0.5800031 0.3668661 0.3926090 -2.8625694 -0.1741955 0.3336363 -0.1964018 -2.8649238 38 N -3.2150935 0.5800031 0.3668661 0.3926090 -2.8625694 -0.1741955 0.3336363 -0.1964018 -2.8649238 39 N -3.1815372 0.0176143 -0.0051861 -0.0153520 -3.2191948 0.0980303 0.0345270 0.0787420 -2.8147992 40 N -3.1815372 0.0176143 0.0051861 -0.0153520 -3.2191948 -0.0980303 -0.0345270 -0.0787420 -2.8147992 41 N -3.2150935 0.5800031 -0.3668661 0.3926090 -2.8625694 0.1741955 -0.3336363 0.1964018 -2.8649238 42 N -3.2150935 -0.5800031 0.3668661 -0.3926090 -2.8625694 0.1741955 0.3336363 0.1964018 -2.8649238 43 N -2.6706964 -0.1886457 -0.2750920 -0.0609982 -2.9015891 -0.4060831 -0.2040041 -0.5648016 -3.1917845 44 N -3.1815372 -0.0176143 0.0051861 0.0153520 -3.2191948 0.0980303 -0.0345270 0.0787420 -2.8147992 45 N -2.6706964 0.1886457 -0.2750920 0.0609982 -2.9015891 0.4060831 -0.2040041 0.5648016 -3.1917845 46 N -3.1815372 0.0176143 -0.0051861 -0.0153520 -3.2191948 0.0980303 0.0345270 0.0787420 -2.8147992 47 N -2.6706964 -0.1886457 -0.2750920 -0.0609982 -2.9015891 -0.4060831 -0.2040041 -0.5648016 -3.1917845 48 N -2.6706964 -0.1886457 0.2750920 -0.0609982 -2.9015891 0.4060831 0.2040041 0.5648016 -3.1917845 49 N -3.1815372 0.0176143 0.0051861 -0.0153520 -3.2191948 -0.0980303 -0.0345270 -0.0787420 -2.8147992 50 N -3.2150935 0.5800031 -0.3668661 0.3926090 -2.8625694 0.1741955 -0.3336363 0.1964018 -2.8649238 51 N -3.1815372 -0.0176143 -0.0051861 0.0153520 -3.2191948 -0.0980303 0.0345270 -0.0787420 -2.8147992 52 N -3.2150935 -0.5800031 -0.3668661 -0.3926090 -2.8625694 -0.1741955 -0.3336363 -0.1964018 -2.8649238 53 N -3.1815372 -0.0176143 0.0051861 0.0153520 -3.2191948 0.0980303 -0.0345270 0.0787420 -2.8147992 54 N -2.6706964 -0.1886457 0.2750920 -0.0609982 -2.9015891 0.4060831 0.2040041 0.5648016 -3.1917845 55 N -2.6706964 0.1886457 0.2750920 0.0609982 -2.9015891 -0.4060831 0.2040041 -0.5648016 -3.1917845 56 N -2.6706964 0.1886457 0.2750920 0.0609982 -2.9015891 -0.4060831 0.2040041 -0.5648016 -3.1917845 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:58:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:58:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.124947300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): 1 Ca 0.79589472216891 0.10618806349893 0.38347138366605 40.078 2 Ca 0.27021363700294 0.35480184855560 0.37318886502067 40.078 3 Ca 0.96210404318887 0.26841420738520 0.97812003346614 40.078 4 Ca 0.00000000000000 0.43929998490205 0.25000000000000 40.078 5 Ca 0.03789595681113 0.26841420738520 0.52187996653386 40.078 6 Ca 0.50000000000000 0.06070001509795 0.75000000000000 40.078 7 Ca 0.20410527783109 0.10618806349893 0.11652861633395 40.078 8 Ca 0.77021363700294 0.14519815144439 0.62681113497933 40.078 9 Ca 0.72978636299706 0.35480184855560 0.12681113497933 40.078 10 Ca 0.03789595681113 0.73158579261480 0.02187996653386 40.078 11 Ca 0.70410527783109 0.60618806349893 0.38347138366605 40.078 12 Ca 0.27021363700294 0.64519815144439 0.87318886502067 40.078 13 Ca 0.46210404318887 0.23158579261480 0.02187996653386 40.078 14 Ca 0.20410527783109 0.89381193650107 0.61652861633395 40.078 15 Ca 0.70410527783109 0.39381193650107 0.88347138366605 40.078 16 Ca 0.29589472216891 0.60618806349893 0.11652861633395 40.078 17 Ca 0.53789595681113 0.76841420738520 0.97812003346614 40.078 18 Ca 0.22978636299706 0.85480184855561 0.37318886502067 40.078 19 Ca 0.79589472216891 0.89381193650107 0.88347138366605 40.078 20 Ca 0.53789595681113 0.23158579261480 0.47812003346614 40.078 21 Ca 0.50000000000000 0.93929998490205 0.25000000000000 40.078 22 Ca 0.46210404318887 0.76841420738520 0.52187996653386 40.078 23 Ca 0.29589472216891 0.39381193650107 0.61652861633395 40.078 24 Ca 0.96210404318887 0.73158579261480 0.47812003346614 40.078 25 Ca 0.72978636299706 0.64519815144439 0.62681113497933 40.078 26 Ca 0.00000000000000 0.56070001509795 0.75000000000000 40.078 27 Ca 0.22978636299706 0.14519815144439 0.87318886502067 40.078 28 Ca 0.77021363700294 0.85480184855561 0.12681113497933 40.078 29 Ge 0.00000000000000 0.06872629537474 0.75000000000000 72.640 30 Ge 0.50000000000000 0.56872629537474 0.75000000000000 72.640 31 Ge 0.00000000000000 0.93127370462526 0.25000000000000 72.640 32 Ge 0.50000000000000 0.43127370462526 0.25000000000000 72.640 33 N 0.95079366167761 0.11019033798166 0.13993153482571 14.007 34 N 0.86660422644960 0.75063627654253 0.29358761086206 14.007 35 N 0.63339577355040 0.74936372345747 0.79358761086206 14.007 36 N 0.83354125618391 0.59409338523678 0.00591650484639 14.007 37 N 0.86660422644960 0.24936372345747 0.79358761086206 14.007 38 N 0.13339577355040 0.75063627654253 0.20641238913794 14.007 39 N 0.16645874381609 0.59409338523678 0.49408349515361 14.007 40 N 0.66645874381609 0.09409338523678 0.00591650484639 14.007 41 N 0.36660422644960 0.74936372345747 0.70641238913794 14.007 42 N 0.13339577355040 0.24936372345747 0.70641238913794 14.007 43 N 0.04920633832240 0.11019033798166 0.36006846517429 14.007 44 N 0.66645874381609 0.90590661476322 0.50591650484640 14.007 45 N 0.04920633832240 0.88980966201834 0.86006846517429 14.007 46 N 0.83354125618391 0.40590661476322 0.50591650484640 14.007 47 N 0.95079366167761 0.88980966201834 0.63993153482571 14.007 48 N 0.45079366167760 0.38980966201834 0.86006846517429 14.007 49 N 0.33354125618391 0.90590661476322 0.99408349515360 14.007 50 N 0.63339577355040 0.25063627654253 0.29358761086206 14.007 51 N 0.16645874381609 0.40590661476322 0.99408349515360 14.007 52 N 0.36660422644960 0.25063627654253 0.20641238913794 14.007 53 N 0.33354125618391 0.09409338523678 0.49408349515361 14.007 54 N 0.54920633832239 0.61019033798166 0.13993153482571 14.007 55 N 0.54920633832239 0.38980966201834 0.63993153482571 14.007 56 N 0.45079366167760 0.61019033798166 0.36006846517429 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.742844849999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.249894599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.017979559999999 Atomic positions (fractional): 1 Ca 0.79589472216891 0.05309403174946 0.38347138366605 40.078 > 1 2 Ca 0.79589472216891 0.55309403174946 0.38347138366605 40.078 > 1 3 Ca 0.27021363700294 0.17740092427780 0.37318886502067 40.078 > 3 4 Ca 0.27021363700294 0.67740092427780 0.37318886502067 40.078 > 3 5 Ca 0.96210404318887 0.13420710369260 0.97812003346614 40.078 > 5 6 Ca 0.96210404318887 0.63420710369260 0.97812003346614 40.078 > 5 7 Ca 0.00000000000000 0.21964999245102 0.25000000000000 40.078 > 7 8 Ca 0.00000000000000 0.71964999245102 0.25000000000000 40.078 > 7 9 Ca 0.03789595681113 0.13420710369260 0.52187996653386 40.078 > 9 10 Ca 0.03789595681113 0.63420710369260 0.52187996653386 40.078 > 9 11 Ca 0.50000000000000 0.03035000754898 0.75000000000000 40.078 > 11 12 Ca 0.50000000000000 0.53035000754898 0.75000000000000 40.078 > 11 13 Ca 0.20410527783109 0.05309403174946 0.11652861633395 40.078 > 13 14 Ca 0.20410527783109 0.55309403174946 0.11652861633395 40.078 > 13 15 Ca 0.77021363700294 0.07259907572220 0.62681113497933 40.078 > 15 16 Ca 0.77021363700294 0.57259907572220 0.62681113497933 40.078 > 15 17 Ca 0.72978636299706 0.17740092427780 0.12681113497933 40.078 > 17 18 Ca 0.72978636299706 0.67740092427780 0.12681113497933 40.078 > 17 19 Ca 0.03789595681113 0.36579289630740 0.02187996653386 40.078 > 19 20 Ca 0.03789595681113 0.86579289630740 0.02187996653386 40.078 > 19 21 Ca 0.70410527783109 0.30309403174946 0.38347138366605 40.078 > 21 22 Ca 0.70410527783109 0.80309403174946 0.38347138366605 40.078 > 21 23 Ca 0.27021363700294 0.32259907572220 0.87318886502067 40.078 > 23 24 Ca 0.27021363700294 0.82259907572220 0.87318886502067 40.078 > 23 25 Ca 0.46210404318887 0.11579289630740 0.02187996653386 40.078 > 25 26 Ca 0.46210404318887 0.61579289630740 0.02187996653386 40.078 > 25 27 Ca 0.20410527783109 0.44690596825054 0.61652861633395 40.078 > 27 28 Ca 0.20410527783109 0.94690596825054 0.61652861633395 40.078 > 27 29 Ca 0.70410527783109 0.19690596825054 0.88347138366605 40.078 > 29 30 Ca 0.70410527783109 0.69690596825054 0.88347138366605 40.078 > 29 31 Ca 0.29589472216891 0.30309403174946 0.11652861633395 40.078 > 31 32 Ca 0.29589472216891 0.80309403174946 0.11652861633395 40.078 > 31 33 Ca 0.53789595681113 0.38420710369260 0.97812003346614 40.078 > 33 34 Ca 0.53789595681113 0.88420710369260 0.97812003346614 40.078 > 33 35 Ca 0.22978636299706 0.42740092427780 0.37318886502067 40.078 > 35 36 Ca 0.22978636299706 0.92740092427780 0.37318886502067 40.078 > 35 37 Ca 0.79589472216891 0.44690596825054 0.88347138366605 40.078 > 37 38 Ca 0.79589472216891 0.94690596825054 0.88347138366605 40.078 > 37 39 Ca 0.53789595681113 0.11579289630740 0.47812003346614 40.078 > 39 40 Ca 0.53789595681113 0.61579289630740 0.47812003346614 40.078 > 39 41 Ca 0.50000000000000 0.46964999245102 0.25000000000000 40.078 > 41 42 Ca 0.50000000000000 0.96964999245102 0.25000000000000 40.078 > 41 43 Ca 0.46210404318887 0.38420710369260 0.52187996653386 40.078 > 43 44 Ca 0.46210404318887 0.88420710369260 0.52187996653386 40.078 > 43 45 Ca 0.29589472216891 0.19690596825054 0.61652861633395 40.078 > 45 46 Ca 0.29589472216891 0.69690596825054 0.61652861633395 40.078 > 45 47 Ca 0.96210404318887 0.36579289630740 0.47812003346614 40.078 > 47 48 Ca 0.96210404318887 0.86579289630740 0.47812003346614 40.078 > 47 49 Ca 0.72978636299706 0.32259907572220 0.62681113497933 40.078 > 49 50 Ca 0.72978636299706 0.82259907572220 0.62681113497933 40.078 > 49 51 Ca 0.00000000000000 0.28035000754898 0.75000000000000 40.078 > 51 52 Ca 0.00000000000000 0.78035000754898 0.75000000000000 40.078 > 51 53 Ca 0.22978636299706 0.07259907572220 0.87318886502067 40.078 > 53 54 Ca 0.22978636299706 0.57259907572220 0.87318886502067 40.078 > 53 55 Ca 0.77021363700294 0.42740092427780 0.12681113497933 40.078 > 55 56 Ca 0.77021363700294 0.92740092427780 0.12681113497933 40.078 > 55 57 Ge 0.00000000000000 0.03436314768737 0.75000000000000 72.640 > 57 58 Ge 0.00000000000000 0.53436314768737 0.75000000000000 72.640 > 57 59 Ge 0.50000000000000 0.28436314768737 0.75000000000000 72.640 > 59 60 Ge 0.50000000000000 0.78436314768737 0.75000000000000 72.640 > 59 61 Ge 0.00000000000000 0.46563685231263 0.25000000000000 72.640 > 61 62 Ge 0.00000000000000 0.96563685231263 0.25000000000000 72.640 > 61 63 Ge 0.50000000000000 0.21563685231263 0.25000000000000 72.640 > 63 64 Ge 0.50000000000000 0.71563685231263 0.25000000000000 72.640 > 63 65 N 0.95079366167761 0.05509516899083 0.13993153482571 14.007 > 65 66 N 0.95079366167761 0.55509516899083 0.13993153482571 14.007 > 65 67 N 0.86660422644960 0.37531813827126 0.29358761086206 14.007 > 67 68 N 0.86660422644960 0.87531813827126 0.29358761086206 14.007 > 67 69 N 0.63339577355040 0.37468186172874 0.79358761086206 14.007 > 69 70 N 0.63339577355040 0.87468186172874 0.79358761086206 14.007 > 69 71 N 0.83354125618391 0.29704669261839 0.00591650484639 14.007 > 71 72 N 0.83354125618391 0.79704669261839 0.00591650484639 14.007 > 71 73 N 0.86660422644960 0.12468186172874 0.79358761086206 14.007 > 73 74 N 0.86660422644960 0.62468186172874 0.79358761086206 14.007 > 73 75 N 0.13339577355040 0.37531813827126 0.20641238913794 14.007 > 75 76 N 0.13339577355040 0.87531813827126 0.20641238913794 14.007 > 75 77 N 0.16645874381609 0.29704669261839 0.49408349515361 14.007 > 77 78 N 0.16645874381609 0.79704669261839 0.49408349515361 14.007 > 77 79 N 0.66645874381609 0.04704669261839 0.00591650484639 14.007 > 79 80 N 0.66645874381609 0.54704669261839 0.00591650484639 14.007 > 79 81 N 0.36660422644960 0.37468186172874 0.70641238913794 14.007 > 81 82 N 0.36660422644960 0.87468186172874 0.70641238913794 14.007 > 81 83 N 0.13339577355040 0.12468186172874 0.70641238913794 14.007 > 83 84 N 0.13339577355040 0.62468186172874 0.70641238913794 14.007 > 83 85 N 0.04920633832240 0.05509516899083 0.36006846517429 14.007 > 85 86 N 0.04920633832240 0.55509516899083 0.36006846517429 14.007 > 85 87 N 0.66645874381609 0.45295330738161 0.50591650484640 14.007 > 87 88 N 0.66645874381609 0.95295330738161 0.50591650484640 14.007 > 87 89 N 0.04920633832240 0.44490483100917 0.86006846517429 14.007 > 89 90 N 0.04920633832240 0.94490483100917 0.86006846517429 14.007 > 89 91 N 0.83354125618391 0.20295330738161 0.50591650484640 14.007 > 91 92 N 0.83354125618391 0.70295330738161 0.50591650484640 14.007 > 91 93 N 0.95079366167761 0.44490483100917 0.63993153482571 14.007 > 93 94 N 0.95079366167761 0.94490483100917 0.63993153482571 14.007 > 93 95 N 0.45079366167760 0.19490483100917 0.86006846517429 14.007 > 95 96 N 0.45079366167760 0.69490483100917 0.86006846517429 14.007 > 95 97 N 0.33354125618391 0.45295330738161 0.99408349515360 14.007 > 97 98 N 0.33354125618391 0.95295330738161 0.99408349515360 14.007 > 97 99 N 0.63339577355040 0.12531813827126 0.29358761086206 14.007 > 99 100 N 0.63339577355040 0.62531813827126 0.29358761086206 14.007 > 99 101 N 0.16645874381609 0.20295330738161 0.99408349515360 14.007 > 101 102 N 0.16645874381609 0.70295330738161 0.99408349515360 14.007 > 101 103 N 0.36660422644960 0.12531813827126 0.20641238913794 14.007 > 103 104 N 0.36660422644960 0.62531813827126 0.20641238913794 14.007 > 103 105 N 0.33354125618391 0.04704669261839 0.49408349515361 14.007 > 105 106 N 0.33354125618391 0.54704669261839 0.49408349515361 14.007 > 105 107 N 0.54920633832239 0.30509516899083 0.13993153482571 14.007 > 107 108 N 0.54920633832239 0.80509516899083 0.13993153482571 14.007 > 107 109 N 0.54920633832239 0.19490483100917 0.63993153482571 14.007 > 109 110 N 0.54920633832239 0.69490483100917 0.63993153482571 14.007 > 109 111 N 0.45079366167760 0.30509516899083 0.36006846517429 14.007 > 111 112 N 0.45079366167760 0.80509516899083 0.36006846517429 14.007 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2901246 0.0000000 0.0000000 0.0000000 6.1963171 0.0000000 0.0000000 0.0000000 6.1453641 -------------------------- Born effective charges -------------------------- 1 Ca 2.2829519 -0.0710909 -0.0876008 -0.1943420 2.0157869 0.0591657 -0.1507544 0.1210435 2.1541399 2 Ca 2.0505465 0.0036967 -0.2678052 0.0920949 2.1246184 -0.1986304 -0.2833571 -0.1656299 1.9673497 3 Ca 2.3463399 -0.0947134 -0.0042231 -0.0318294 1.9976172 -0.1354518 -0.0301033 0.0141726 2.1235595 4 Ca 1.9446743 0.0000000 -0.0591779 -0.0000000 3.1584964 -0.0000000 -0.0062900 0.0000000 2.4191630 5 Ca 2.3463399 0.0947134 -0.0042231 0.0318294 1.9976172 0.1354518 -0.0301033 -0.0141726 2.1235595 6 Ca 1.9446743 0.0000000 0.0591779 -0.0000000 3.1584964 -0.0000000 0.0062900 0.0000000 2.4191630 7 Ca 2.2829519 0.0710909 -0.0876008 0.1943420 2.0157869 -0.0591657 -0.1507544 -0.1210435 2.1541399 8 Ca 2.0505465 -0.0036967 0.2678052 -0.0920949 2.1246184 -0.1986304 0.2833571 -0.1656299 1.9673497 9 Ca 2.0505465 -0.0036967 -0.2678052 -0.0920949 2.1246184 0.1986304 -0.2833571 0.1656299 1.9673497 10 Ca 2.3463399 -0.0947134 -0.0042231 -0.0318294 1.9976172 -0.1354518 -0.0301033 0.0141726 2.1235595 11 Ca 2.2829519 0.0710909 0.0876008 0.1943420 2.0157869 0.0591657 0.1507544 0.1210435 2.1541399 12 Ca 2.0505465 -0.0036967 -0.2678052 -0.0920949 2.1246184 0.1986304 -0.2833571 0.1656299 1.9673497 13 Ca 2.3463399 0.0947134 0.0042231 0.0318294 1.9976172 -0.1354518 0.0301033 0.0141726 2.1235595 14 Ca 2.2829519 -0.0710909 -0.0876008 -0.1943420 2.0157869 0.0591657 -0.1507544 0.1210435 2.1541399 15 Ca 2.2829519 -0.0710909 0.0876008 -0.1943420 2.0157869 -0.0591657 0.1507544 -0.1210435 2.1541399 16 Ca 2.2829519 -0.0710909 0.0876008 -0.1943420 2.0157869 -0.0591657 0.1507544 -0.1210435 2.1541399 17 Ca 2.3463399 0.0947134 0.0042231 0.0318294 1.9976172 -0.1354518 0.0301033 0.0141726 2.1235595 18 Ca 2.0505465 -0.0036967 0.2678052 -0.0920949 2.1246184 -0.1986304 0.2833571 -0.1656299 1.9673497 19 Ca 2.2829519 0.0710909 -0.0876008 0.1943420 2.0157869 -0.0591657 -0.1507544 -0.1210435 2.1541399 20 Ca 2.3463399 -0.0947134 0.0042231 -0.0318294 1.9976172 0.1354518 0.0301033 -0.0141726 2.1235595 21 Ca 1.9446743 0.0000000 0.0591779 -0.0000000 3.1584964 -0.0000000 0.0062900 0.0000000 2.4191630 22 Ca 2.3463399 -0.0947134 0.0042231 -0.0318294 1.9976172 0.1354518 0.0301033 -0.0141726 2.1235595 23 Ca 2.2829519 0.0710909 0.0876008 0.1943420 2.0157869 0.0591657 0.1507544 0.1210435 2.1541399 24 Ca 2.3463399 0.0947134 -0.0042231 0.0318294 1.9976172 0.1354518 -0.0301033 -0.0141726 2.1235595 25 Ca 2.0505465 0.0036967 -0.2678052 0.0920949 2.1246184 -0.1986304 -0.2833571 -0.1656299 1.9673497 26 Ca 1.9446743 0.0000000 -0.0591779 -0.0000000 3.1584964 -0.0000000 -0.0062900 0.0000000 2.4191630 27 Ca 2.0505465 0.0036967 0.2678052 0.0920949 2.1246184 0.1986304 0.2833571 0.1656299 1.9673497 28 Ca 2.0505465 0.0036967 0.2678052 0.0920949 2.1246184 0.1986304 0.2833571 0.1656299 1.9673497 29 Ge 2.8303033 0.0000000 -0.0745536 -0.0000000 2.5321652 -0.0000000 0.0460262 0.0000000 2.8337540 30 Ge 2.8303033 0.0000000 0.0745536 -0.0000000 2.5321652 -0.0000000 -0.0460262 0.0000000 2.8337540 31 Ge 2.8303033 0.0000000 -0.0745536 -0.0000000 2.5321652 -0.0000000 0.0460262 0.0000000 2.8337540 32 Ge 2.8303033 0.0000000 0.0745536 -0.0000000 2.5321652 -0.0000000 -0.0460262 0.0000000 2.8337540 33 N -2.6706964 0.1886457 -0.2750920 0.0609982 -2.9015891 0.4060831 -0.2040041 0.5648016 -3.1917845 34 N -3.2150935 -0.5800031 0.3668661 -0.3926090 -2.8625694 0.1741955 0.3336363 0.1964018 -2.8649238 35 N -3.2150935 -0.5800031 -0.3668661 -0.3926090 -2.8625694 -0.1741955 -0.3336363 -0.1964018 -2.8649238 36 N -3.1815372 -0.0176143 -0.0051861 0.0153520 -3.2191948 -0.0980303 0.0345270 -0.0787420 -2.8147992 37 N -3.2150935 0.5800031 0.3668661 0.3926090 -2.8625694 -0.1741955 0.3336363 -0.1964018 -2.8649238 38 N -3.2150935 0.5800031 0.3668661 0.3926090 -2.8625694 -0.1741955 0.3336363 -0.1964018 -2.8649238 39 N -3.1815372 0.0176143 -0.0051861 -0.0153520 -3.2191948 0.0980303 0.0345270 0.0787420 -2.8147992 40 N -3.1815372 0.0176143 0.0051861 -0.0153520 -3.2191948 -0.0980303 -0.0345270 -0.0787420 -2.8147992 41 N -3.2150935 0.5800031 -0.3668661 0.3926090 -2.8625694 0.1741955 -0.3336363 0.1964018 -2.8649238 42 N -3.2150935 -0.5800031 0.3668661 -0.3926090 -2.8625694 0.1741955 0.3336363 0.1964018 -2.8649238 43 N -2.6706964 -0.1886457 -0.2750920 -0.0609982 -2.9015891 -0.4060831 -0.2040041 -0.5648016 -3.1917845 44 N -3.1815372 -0.0176143 0.0051861 0.0153520 -3.2191948 0.0980303 -0.0345270 0.0787420 -2.8147992 45 N -2.6706964 0.1886457 -0.2750920 0.0609982 -2.9015891 0.4060831 -0.2040041 0.5648016 -3.1917845 46 N -3.1815372 0.0176143 -0.0051861 -0.0153520 -3.2191948 0.0980303 0.0345270 0.0787420 -2.8147992 47 N -2.6706964 -0.1886457 -0.2750920 -0.0609982 -2.9015891 -0.4060831 -0.2040041 -0.5648016 -3.1917845 48 N -2.6706964 -0.1886457 0.2750920 -0.0609982 -2.9015891 0.4060831 0.2040041 0.5648016 -3.1917845 49 N -3.1815372 0.0176143 0.0051861 -0.0153520 -3.2191948 -0.0980303 -0.0345270 -0.0787420 -2.8147992 50 N -3.2150935 0.5800031 -0.3668661 0.3926090 -2.8625694 0.1741955 -0.3336363 0.1964018 -2.8649238 51 N -3.1815372 -0.0176143 -0.0051861 0.0153520 -3.2191948 -0.0980303 0.0345270 -0.0787420 -2.8147992 52 N -3.2150935 -0.5800031 -0.3668661 -0.3926090 -2.8625694 -0.1741955 -0.3336363 -0.1964018 -2.8649238 53 N -3.1815372 -0.0176143 0.0051861 0.0153520 -3.2191948 0.0980303 -0.0345270 0.0787420 -2.8147992 54 N -2.6706964 -0.1886457 0.2750920 -0.0609982 -2.9015891 0.4060831 0.2040041 0.5648016 -3.1917845 55 N -2.6706964 0.1886457 0.2750920 0.0609982 -2.9015891 -0.4060831 0.2040041 -0.5648016 -3.1917845 56 N -2.6706964 0.1886457 0.2750920 0.0609982 -2.9015891 -0.4060831 0.2040041 -0.5648016 -3.1917845 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (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 ... [ 5 8 4 ] 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: 0.44, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.244 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.170 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.308 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.999 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 11.949 ( 0.000 0.000 0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.936 ( 0.000 0.000 0.000) 0.000 12.953 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.116 ( 0.000 0.000 0.000) 0.000 13.675 ( 0.000 0.000 0.000) 0.000 13.690 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 13.925 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 18.357 ( 0.000 0.000 0.000) 0.000 18.359 ( 0.000 0.000 0.000) 0.000 18.831 ( 0.000 0.000 0.000) 0.000 18.874 ( 0.000 0.000 0.000) 0.000 18.926 ( 0.000 0.000 0.000) 0.000 18.957 ( 0.000 0.000 0.000) 0.000 19.022 ( 0.000 0.000 0.000) 0.000 19.172 ( 0.000 0.000 0.000) 0.000 19.335 ( 0.000 0.000 0.000) 0.000 19.418 ( 0.000 0.000 0.000) 0.000 19.420 ( 0.000 0.000 0.000) 0.000 20.308 ( 0.000 0.000 0.000) 0.000 20.738 ( 0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 20.977 ( 0.000 0.000 0.000) 0.000 21.109 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 37.726 0.000 0.000) 37.726 0.816 ( 42.890 0.000 0.000) 42.890 1.224 ( 63.020 0.000 0.000) 63.020 2.139 ( -5.146 0.000 0.000) 5.146 2.288 ( 2.347 0.000 0.000) 2.347 2.360 ( -4.479 0.000 0.000) 4.479 2.462 ( 7.995 0.000 0.000) 7.995 2.514 ( 14.959 0.000 0.000) 14.959 2.522 ( -5.339 0.000 0.000) 5.339 2.674 ( -19.622 0.000 0.000) 19.622 2.798 ( -3.484 0.000 0.000) 3.484 2.885 ( -10.373 0.000 0.000) 10.373 2.974 ( -19.006 0.000 0.000) 19.006 3.137 ( -20.560 0.000 0.000) 20.560 3.209 ( -9.336 0.000 0.000) 9.336 3.351 ( -17.798 0.000 0.000) 17.798 3.403 ( 4.055 0.000 0.000) 4.055 3.436 ( -24.972 0.000 0.000) 24.972 3.786 ( 13.011 0.000 0.000) 13.011 3.788 ( 6.516 0.000 0.000) 6.516 3.881 ( 8.497 0.000 0.000) 8.497 3.915 ( 13.529 0.000 0.000) 13.529 3.991 ( 2.924 0.000 0.000) 2.924 3.999 ( -6.134 0.000 0.000) 6.134 4.012 ( 8.578 0.000 0.000) 8.578 4.123 ( 5.882 0.000 0.000) 5.882 4.363 ( 4.984 0.000 0.000) 4.984 4.405 ( -3.346 0.000 0.000) 3.346 4.411 ( -16.361 0.000 0.000) 16.361 4.457 ( -11.179 0.000 0.000) 11.179 4.507 ( -1.830 0.000 0.000) 1.830 4.605 ( -5.257 0.000 0.000) 5.257 4.652 ( -9.890 0.000 0.000) 9.890 4.712 ( 19.516 0.000 0.000) 19.516 4.757 ( -4.715 0.000 0.000) 4.715 4.815 ( -11.200 0.000 0.000) 11.200 4.895 ( 6.822 0.000 0.000) 6.822 4.979 ( 8.335 0.000 0.000) 8.335 5.095 ( -5.681 0.000 0.000) 5.681 5.148 ( 21.153 0.000 0.000) 21.153 5.159 ( 12.875 0.000 0.000) 12.875 5.306 ( -10.539 0.000 0.000) 10.539 5.439 ( 7.055 0.000 0.000) 7.055 5.524 ( 2.297 0.000 0.000) 2.297 5.536 ( 8.488 0.000 0.000) 8.488 5.548 ( -1.583 0.000 0.000) 1.583 5.593 ( -3.639 0.000 0.000) 3.639 5.653 ( 0.459 0.000 0.000) 0.459 5.658 ( 6.318 0.000 0.000) 6.318 5.739 ( -2.757 0.000 0.000) 2.757 5.881 ( 1.671 0.000 0.000) 1.671 6.014 ( 8.594 0.000 0.000) 8.594 6.026 ( 7.962 0.000 0.000) 7.962 6.132 ( 7.884 0.000 0.000) 7.884 6.204 ( 2.555 0.000 0.000) 2.555 6.210 ( 6.185 0.000 0.000) 6.185 6.254 ( 6.579 0.000 0.000) 6.579 6.341 ( -8.156 0.000 0.000) 8.156 6.431 ( 10.757 0.000 0.000) 10.757 6.432 ( 6.361 0.000 0.000) 6.361 6.487 ( 3.417 0.000 0.000) 3.417 6.550 ( 4.125 0.000 0.000) 4.125 6.639 ( -10.921 0.000 0.000) 10.921 6.780 ( -9.582 0.000 0.000) 9.582 6.878 ( -10.713 0.000 0.000) 10.713 6.999 ( -1.785 0.000 0.000) 1.785 7.026 ( 6.293 0.000 0.000) 6.293 7.067 ( -12.353 0.000 0.000) 12.353 7.180 ( -0.632 0.000 0.000) 0.632 7.236 ( -12.065 0.000 0.000) 12.065 7.305 ( -11.178 0.000 0.000) 11.178 7.357 ( -10.742 0.000 0.000) 10.742 7.424 ( -8.499 0.000 0.000) 8.499 7.428 ( 11.169 0.000 0.000) 11.169 7.502 ( -9.669 0.000 0.000) 9.669 7.539 ( -11.063 0.000 0.000) 11.063 7.541 ( -7.731 0.000 0.000) 7.731 7.580 ( 0.125 0.000 0.000) 0.125 7.728 ( 0.851 0.000 0.000) 0.851 7.769 ( 0.266 0.000 0.000) 0.266 7.775 ( -6.723 0.000 0.000) 6.723 7.854 ( -0.242 0.000 0.000) 0.242 7.936 ( 18.043 0.000 0.000) 18.043 8.006 ( 2.119 0.000 0.000) 2.119 8.033 ( 4.580 0.000 0.000) 4.580 8.100 ( -17.663 0.000 0.000) 17.663 8.151 ( -0.255 0.000 0.000) 0.255 8.156 ( -1.430 0.000 0.000) 1.430 8.164 ( -1.495 0.000 0.000) 1.495 8.201 ( -0.539 0.000 0.000) 0.539 8.416 ( -1.098 0.000 0.000) 1.098 8.443 ( 7.827 0.000 0.000) 7.827 8.546 ( 2.408 0.000 0.000) 2.408 8.576 ( 0.849 0.000 0.000) 0.849 8.585 ( 2.405 0.000 0.000) 2.405 8.590 ( -0.121 0.000 0.000) 0.121 8.834 ( 4.064 0.000 0.000) 4.064 8.834 ( -0.292 0.000 0.000) 0.292 8.918 ( 1.930 0.000 0.000) 1.930 8.993 ( 5.349 0.000 0.000) 5.349 8.994 ( -0.986 0.000 0.000) 0.986 9.029 ( 3.228 0.000 0.000) 3.228 9.075 ( 10.938 0.000 0.000) 10.938 9.137 ( 8.548 0.000 0.000) 8.548 9.313 ( -3.516 0.000 0.000) 3.516 9.471 ( 11.926 0.000 0.000) 11.926 9.543 ( 1.332 0.000 0.000) 1.332 9.554 ( -6.957 0.000 0.000) 6.957 9.698 ( -3.057 0.000 0.000) 3.057 9.922 ( -2.235 0.000 0.000) 2.235 9.979 ( -5.137 0.000 0.000) 5.137 10.008 ( 7.191 0.000 0.000) 7.191 10.079 ( 2.638 0.000 0.000) 2.638 10.143 ( 4.102 0.000 0.000) 4.102 10.283 ( -4.241 0.000 0.000) 4.241 10.285 ( -0.069 0.000 0.000) 0.069 10.330 ( -5.676 0.000 0.000) 5.676 10.368 ( 0.875 0.000 0.000) 0.875 10.474 ( -3.231 0.000 0.000) 3.231 10.551 ( 0.067 0.000 0.000) 0.067 10.634 ( 2.082 0.000 0.000) 2.082 10.710 ( 0.593 0.000 0.000) 0.593 10.860 ( 1.988 0.000 0.000) 1.988 11.037 ( 2.721 0.000 0.000) 2.721 11.130 ( -0.406 0.000 0.000) 0.406 11.316 ( -10.000 0.000 0.000) 10.000 11.399 ( -10.037 0.000 0.000) 10.037 11.428 ( -3.288 0.000 0.000) 3.288 11.535 ( 0.071 0.000 0.000) 0.071 11.659 ( -12.107 0.000 0.000) 12.107 11.736 ( -2.663 0.000 0.000) 2.663 11.786 ( -5.115 0.000 0.000) 5.115 11.821 ( 8.350 0.000 0.000) 8.350 11.905 ( 14.543 0.000 0.000) 14.543 11.992 ( 5.430 0.000 0.000) 5.430 12.025 ( 4.035 0.000 0.000) 4.035 12.357 ( 8.918 0.000 0.000) 8.918 12.632 ( -3.515 0.000 0.000) 3.515 12.771 ( -2.279 0.000 0.000) 2.279 12.850 ( -8.317 0.000 0.000) 8.317 12.975 ( 3.803 0.000 0.000) 3.803 13.067 ( 0.858 0.000 0.000) 0.858 13.185 ( 4.988 0.000 0.000) 4.988 13.409 ( -3.183 0.000 0.000) 3.183 13.674 ( -1.442 0.000 0.000) 1.442 13.722 ( 4.249 0.000 0.000) 4.249 13.762 ( -2.884 0.000 0.000) 2.884 13.913 ( -1.314 0.000 0.000) 1.314 14.359 ( 0.510 0.000 0.000) 0.510 14.396 ( -0.283 0.000 0.000) 0.283 14.467 ( 3.871 0.000 0.000) 3.871 14.742 ( -2.840 0.000 0.000) 2.840 18.409 ( 5.239 0.000 0.000) 5.239 18.777 ( -4.812 0.000 0.000) 4.812 18.852 ( 0.193 0.000 0.000) 0.193 18.871 ( -0.286 0.000 0.000) 0.286 18.964 ( 3.062 0.000 0.000) 3.062 18.970 ( 1.369 0.000 0.000) 1.369 19.132 ( -3.481 0.000 0.000) 3.481 19.225 ( -6.706 0.000 0.000) 6.706 19.488 ( 6.578 0.000 0.000) 6.578 19.567 ( 10.618 0.000 0.000) 10.618 19.966 ( -6.581 0.000 0.000) 6.581 20.225 ( -8.432 0.000 0.000) 8.432 20.776 ( 3.576 0.000 0.000) 3.576 20.963 ( -1.534 0.000 0.000) 1.534 20.967 ( 2.077 0.000 0.000) 2.077 21.099 ( -1.113 0.000 0.000) 1.113 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 34.487 0.000 0.000) 34.487 1.569 ( 36.717 0.000 0.000) 36.717 1.935 ( -20.544 0.000 0.000) 20.544 2.045 ( -1.748 0.000 0.000) 1.748 2.307 ( 1.573 0.000 0.000) 1.573 2.313 ( 7.108 0.000 0.000) 7.108 2.336 ( -9.476 0.000 0.000) 9.476 2.373 ( -9.072 0.000 0.000) 9.072 2.687 ( 23.725 0.000 0.000) 23.725 2.710 ( -5.245 0.000 0.000) 5.245 2.730 ( -7.083 0.000 0.000) 7.083 2.775 ( 8.507 0.000 0.000) 8.507 2.820 ( 12.804 0.000 0.000) 12.804 2.916 ( -1.881 0.000 0.000) 1.881 2.996 ( -12.329 0.000 0.000) 12.329 3.031 ( -13.233 0.000 0.000) 13.233 3.089 ( -9.851 0.000 0.000) 9.851 3.398 ( -15.588 0.000 0.000) 15.588 3.840 ( -20.807 0.000 0.000) 20.807 3.841 ( -9.080 0.000 0.000) 9.080 3.915 ( 4.410 0.000 0.000) 4.410 3.930 ( 1.898 0.000 0.000) 1.898 4.111 ( 15.330 0.000 0.000) 15.330 4.154 ( 12.403 0.000 0.000) 12.403 4.177 ( 10.813 0.000 0.000) 10.813 4.200 ( 2.882 0.000 0.000) 2.882 4.211 ( 11.468 0.000 0.000) 11.468 4.364 ( -9.832 0.000 0.000) 9.832 4.382 ( 3.055 0.000 0.000) 3.055 4.414 ( 4.094 0.000 0.000) 4.094 4.415 ( -12.296 0.000 0.000) 12.296 4.434 ( -13.541 0.000 0.000) 13.541 4.493 ( 6.168 0.000 0.000) 6.168 4.600 ( -9.426 0.000 0.000) 9.426 4.631 ( -7.475 0.000 0.000) 7.475 4.766 ( -21.664 0.000 0.000) 21.664 5.111 ( 21.449 0.000 0.000) 21.449 5.139 ( 5.656 0.000 0.000) 5.656 5.195 ( 0.505 0.000 0.000) 0.505 5.224 ( 11.499 0.000 0.000) 11.499 5.309 ( 0.243 0.000 0.000) 0.243 5.348 ( 9.455 0.000 0.000) 9.455 5.440 ( -11.099 0.000 0.000) 11.099 5.513 ( -1.590 0.000 0.000) 1.590 5.536 ( -6.573 0.000 0.000) 6.573 5.597 ( -9.955 0.000 0.000) 9.955 5.632 ( 6.805 0.000 0.000) 6.805 5.715 ( 5.894 0.000 0.000) 5.894 5.759 ( 2.054 0.000 0.000) 2.054 5.766 ( -7.826 0.000 0.000) 7.826 5.851 ( 24.910 0.000 0.000) 24.910 6.135 ( -2.017 0.000 0.000) 2.017 6.200 ( 5.806 0.000 0.000) 5.806 6.247 ( 0.104 0.000 0.000) 0.104 6.251 ( 6.839 0.000 0.000) 6.839 6.252 ( -1.443 0.000 0.000) 1.443 6.366 ( -6.747 0.000 0.000) 6.747 6.419 ( 16.663 0.000 0.000) 16.663 6.441 ( -9.349 0.000 0.000) 9.349 6.596 ( 19.440 0.000 0.000) 19.440 6.616 ( 0.087 0.000 0.000) 0.087 6.654 ( 10.019 0.000 0.000) 10.019 6.662 ( 9.857 0.000 0.000) 9.857 6.749 ( 9.969 0.000 0.000) 9.969 6.768 ( 1.388 0.000 0.000) 1.388 6.905 ( -2.207 0.000 0.000) 2.207 6.941 ( -2.032 0.000 0.000) 2.032 6.965 ( -12.470 0.000 0.000) 12.470 7.043 ( -15.603 0.000 0.000) 15.603 7.094 ( -11.253 0.000 0.000) 11.253 7.129 ( -9.655 0.000 0.000) 9.655 7.139 ( -5.304 0.000 0.000) 5.304 7.204 ( -12.605 0.000 0.000) 12.605 7.237 ( -18.786 0.000 0.000) 18.786 7.337 ( -0.464 0.000 0.000) 0.464 7.362 ( 1.610 0.000 0.000) 1.610 7.513 ( -5.539 0.000 0.000) 5.539 7.607 ( 7.710 0.000 0.000) 7.710 7.616 ( -14.081 0.000 0.000) 14.081 7.723 ( -4.742 0.000 0.000) 4.742 7.801 ( 4.065 0.000 0.000) 4.065 7.826 ( 0.847 0.000 0.000) 0.847 7.949 ( 0.515 0.000 0.000) 0.515 7.996 ( -3.179 0.000 0.000) 3.179 8.105 ( 4.101 0.000 0.000) 4.101 8.162 ( -1.087 0.000 0.000) 1.087 8.182 ( 0.576 0.000 0.000) 0.576 8.191 ( 3.079 0.000 0.000) 3.079 8.219 ( 6.045 0.000 0.000) 6.045 8.223 ( 4.767 0.000 0.000) 4.767 8.515 ( -1.864 0.000 0.000) 1.864 8.520 ( 9.949 0.000 0.000) 9.949 8.558 ( -4.829 0.000 0.000) 4.829 8.573 ( -0.770 0.000 0.000) 0.770 8.601 ( 7.628 0.000 0.000) 7.628 8.627 ( 7.376 0.000 0.000) 7.376 8.769 ( -7.335 0.000 0.000) 7.335 8.826 ( -5.393 0.000 0.000) 5.393 8.923 ( -3.336 0.000 0.000) 3.336 8.928 ( -0.835 0.000 0.000) 0.835 9.121 ( 7.240 0.000 0.000) 7.240 9.137 ( 7.863 0.000 0.000) 7.863 9.235 ( -4.898 0.000 0.000) 4.898 9.246 ( 1.716 0.000 0.000) 1.716 9.320 ( 9.208 0.000 0.000) 9.208 9.420 ( -4.622 0.000 0.000) 4.622 9.573 ( 2.403 0.000 0.000) 2.403 9.631 ( -3.684 0.000 0.000) 3.684 9.786 ( 18.266 0.000 0.000) 18.266 9.819 ( -5.647 0.000 0.000) 5.647 9.843 ( -7.194 0.000 0.000) 7.194 10.093 ( -14.172 0.000 0.000) 14.172 10.161 ( 7.704 0.000 0.000) 7.704 10.173 ( 6.095 0.000 0.000) 6.095 10.235 ( 6.132 0.000 0.000) 6.132 10.261 ( -3.690 0.000 0.000) 3.690 10.269 ( -3.208 0.000 0.000) 3.208 10.373 ( -7.271 0.000 0.000) 7.271 10.409 ( 4.205 0.000 0.000) 4.205 10.502 ( -4.776 0.000 0.000) 4.776 10.690 ( 3.547 0.000 0.000) 3.547 10.732 ( 0.122 0.000 0.000) 0.122 10.960 ( 8.161 0.000 0.000) 8.161 11.058 ( 2.592 0.000 0.000) 2.592 11.119 ( -6.425 0.000 0.000) 6.425 11.192 ( -10.713 0.000 0.000) 10.713 11.208 ( 4.813 0.000 0.000) 4.813 11.410 ( -13.650 0.000 0.000) 13.650 11.490 ( 7.802 0.000 0.000) 7.802 11.574 ( 4.145 0.000 0.000) 4.145 11.650 ( -8.563 0.000 0.000) 8.563 11.664 ( -4.830 0.000 0.000) 4.830 11.967 ( 6.810 0.000 0.000) 6.810 12.051 ( -1.664 0.000 0.000) 1.664 12.111 ( 5.686 0.000 0.000) 5.686 12.122 ( 6.469 0.000 0.000) 6.469 12.529 ( 8.864 0.000 0.000) 8.864 12.583 ( 0.347 0.000 0.000) 0.347 12.673 ( -7.274 0.000 0.000) 7.274 12.689 ( -8.622 0.000 0.000) 8.622 13.055 ( 3.916 0.000 0.000) 3.916 13.090 ( 0.407 0.000 0.000) 0.407 13.271 ( 4.144 0.000 0.000) 4.144 13.343 ( -3.727 0.000 0.000) 3.727 13.658 ( 0.391 0.000 0.000) 0.391 13.697 ( -3.463 0.000 0.000) 3.463 13.807 ( 4.350 0.000 0.000) 4.350 13.875 ( -2.848 0.000 0.000) 2.848 14.372 ( 0.847 0.000 0.000) 0.847 14.387 ( -0.700 0.000 0.000) 0.700 14.560 ( 5.756 0.000 0.000) 5.756 14.666 ( -5.172 0.000 0.000) 5.172 18.532 ( 7.407 0.000 0.000) 7.407 18.667 ( -6.786 0.000 0.000) 6.786 18.857 ( 0.347 0.000 0.000) 0.347 18.864 ( -0.404 0.000 0.000) 0.404 19.007 ( 2.595 0.000 0.000) 2.595 19.029 ( 3.958 0.000 0.000) 3.958 19.064 ( -3.479 0.000 0.000) 3.479 19.113 ( -5.220 0.000 0.000) 5.220 19.637 ( 9.058 0.000 0.000) 9.058 19.784 ( 12.555 0.000 0.000) 12.555 19.812 ( -9.300 0.000 0.000) 9.300 20.022 ( -12.537 0.000 0.000) 12.537 20.852 ( 4.126 0.000 0.000) 4.126 20.920 ( -3.044 0.000 0.000) 3.044 21.016 ( 2.895 0.000 0.000) 2.895 21.066 ( -2.344 0.000 0.000) 2.344 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 37.065 0.000) 37.065 0.783 ( 0.000 37.125 0.000) 37.125 1.438 ( 0.000 68.455 0.000) 68.455 2.334 ( 0.000 15.829 0.000) 15.829 2.419 ( 0.000 5.385 0.000) 5.385 2.445 ( 0.000 6.842 0.000) 6.842 2.566 ( 0.000 17.207 0.000) 17.207 2.569 ( 0.000 25.321 0.000) 25.321 2.984 ( 0.000 -2.296 0.000) 2.296 2.998 ( 0.000 21.318 0.000) 21.318 3.054 ( 0.000 14.413 0.000) 14.413 3.113 ( 0.000 -7.181 0.000) 7.181 3.121 ( 0.000 23.207 0.000) 23.207 3.267 ( 0.000 -4.923 0.000) 4.923 3.351 ( 0.000 3.713 0.000) 3.713 3.458 ( 0.000 -2.644 0.000) 2.644 3.469 ( 0.000 7.541 0.000) 7.541 3.681 ( 0.000 -2.062 0.000) 2.062 3.737 ( 0.000 -3.967 0.000) 3.967 3.804 ( 0.000 8.312 0.000) 8.312 3.822 ( 0.000 -0.323 0.000) 0.323 3.900 ( 0.000 11.238 0.000) 11.238 3.926 ( 0.000 19.508 0.000) 19.508 3.975 ( 0.000 4.719 0.000) 4.719 4.109 ( 0.000 7.914 0.000) 7.914 4.235 ( 0.000 0.975 0.000) 0.975 4.313 ( 0.000 5.637 0.000) 5.637 4.362 ( 0.000 3.316 0.000) 3.316 4.431 ( 0.000 -3.769 0.000) 3.769 4.507 ( 0.000 -2.449 0.000) 2.449 4.546 ( 0.000 -1.361 0.000) 1.361 4.575 ( 0.000 -2.019 0.000) 2.019 4.648 ( 0.000 10.938 0.000) 10.938 4.715 ( 0.000 1.371 0.000) 1.371 4.819 ( 0.000 -2.227 0.000) 2.227 4.825 ( 0.000 2.048 0.000) 2.048 4.916 ( 0.000 6.294 0.000) 6.294 4.966 ( 0.000 7.847 0.000) 7.847 4.983 ( 0.000 -2.028 0.000) 2.028 5.057 ( 0.000 9.989 0.000) 9.989 5.303 ( 0.000 -7.314 0.000) 7.314 5.305 ( 0.000 -8.040 0.000) 8.040 5.386 ( 0.000 -1.159 0.000) 1.159 5.388 ( 0.000 -3.755 0.000) 3.755 5.432 ( 0.000 -2.501 0.000) 2.501 5.497 ( 0.000 5.567 0.000) 5.567 5.594 ( 0.000 -1.958 0.000) 1.958 5.605 ( 0.000 -2.007 0.000) 2.007 5.647 ( 0.000 -2.711 0.000) 2.711 5.716 ( 0.000 7.929 0.000) 7.929 5.732 ( 0.000 -1.022 0.000) 1.022 5.875 ( 0.000 2.228 0.000) 2.228 6.051 ( 0.000 4.917 0.000) 4.917 6.080 ( 0.000 -3.282 0.000) 3.282 6.102 ( 0.000 1.195 0.000) 1.195 6.217 ( 0.000 2.786 0.000) 2.786 6.298 ( 0.000 -4.600 0.000) 4.600 6.327 ( 0.000 2.032 0.000) 2.032 6.432 ( 0.000 0.124 0.000) 0.124 6.478 ( 0.000 -2.388 0.000) 2.388 6.556 ( 0.000 5.046 0.000) 5.046 6.559 ( 0.000 8.490 0.000) 8.490 6.831 ( 0.000 -3.787 0.000) 3.787 6.857 ( 0.000 -0.753 0.000) 0.753 6.923 ( 0.000 -4.603 0.000) 4.603 6.975 ( 0.000 2.049 0.000) 2.049 7.037 ( 0.000 5.573 0.000) 5.573 7.053 ( 0.000 -8.856 0.000) 8.856 7.134 ( 0.000 -14.247 0.000) 14.247 7.139 ( 0.000 -11.398 0.000) 11.398 7.290 ( 0.000 -0.750 0.000) 0.750 7.320 ( 0.000 3.719 0.000) 3.719 7.358 ( 0.000 -4.899 0.000) 4.899 7.519 ( 0.000 1.673 0.000) 1.673 7.533 ( 0.000 -1.939 0.000) 1.939 7.591 ( 0.000 -9.285 0.000) 9.285 7.651 ( 0.000 6.751 0.000) 6.751 7.716 ( 0.000 -1.987 0.000) 1.987 7.727 ( 0.000 5.862 0.000) 5.862 7.799 ( 0.000 -5.072 0.000) 5.072 7.851 ( 0.000 8.160 0.000) 8.160 7.918 ( 0.000 15.017 0.000) 15.017 7.947 ( 0.000 -3.475 0.000) 3.475 7.997 ( 0.000 0.658 0.000) 0.658 8.064 ( 0.000 12.546 0.000) 12.546 8.164 ( 0.000 -1.863 0.000) 1.863 8.168 ( 0.000 1.915 0.000) 1.915 8.258 ( 0.000 -4.906 0.000) 4.906 8.309 ( 0.000 3.404 0.000) 3.404 8.319 ( 0.000 1.512 0.000) 1.512 8.470 ( 0.000 -6.497 0.000) 6.497 8.489 ( 0.000 2.145 0.000) 2.145 8.499 ( 0.000 0.987 0.000) 0.987 8.500 ( 0.000 -7.161 0.000) 7.161 8.600 ( 0.000 -6.297 0.000) 6.297 8.606 ( 0.000 4.546 0.000) 4.546 8.717 ( 0.000 -9.694 0.000) 9.694 8.756 ( 0.000 -1.103 0.000) 1.103 8.837 ( 0.000 -6.620 0.000) 6.620 8.844 ( 0.000 -1.522 0.000) 1.522 8.994 ( 0.000 3.410 0.000) 3.410 9.001 ( 0.000 0.938 0.000) 0.938 9.013 ( 0.000 1.149 0.000) 1.149 9.055 ( 0.000 0.935 0.000) 0.935 9.317 ( 0.000 -0.736 0.000) 0.736 9.389 ( 0.000 -1.905 0.000) 1.905 9.488 ( 0.000 -3.014 0.000) 3.014 9.521 ( 0.000 -5.125 0.000) 5.125 9.603 ( 0.000 3.659 0.000) 3.659 9.813 ( 0.000 2.704 0.000) 2.704 9.892 ( 0.000 -2.875 0.000) 2.875 9.934 ( 0.000 0.004 0.000) 0.004 9.968 ( 0.000 -1.842 0.000) 1.842 10.091 ( 0.000 1.042 0.000) 1.042 10.213 ( 0.000 8.565 0.000) 8.565 10.262 ( 0.000 -6.995 0.000) 6.995 10.301 ( 0.000 -8.177 0.000) 8.177 10.370 ( 0.000 0.449 0.000) 0.449 10.478 ( 0.000 -5.327 0.000) 5.327 10.681 ( 0.000 6.562 0.000) 6.562 10.729 ( 0.000 1.543 0.000) 1.543 10.852 ( 0.000 0.349 0.000) 0.349 10.962 ( 0.000 -0.908 0.000) 0.908 10.980 ( 0.000 -0.691 0.000) 0.691 11.031 ( 0.000 -9.958 0.000) 9.958 11.268 ( 0.000 -7.598 0.000) 7.598 11.374 ( 0.000 -14.385 0.000) 14.385 11.459 ( 0.000 -21.486 0.000) 21.486 11.461 ( 0.000 -12.313 0.000) 12.313 11.462 ( 0.000 -4.914 0.000) 4.914 11.495 ( 0.000 -20.839 0.000) 20.839 11.530 ( 0.000 -4.261 0.000) 4.261 11.649 ( 0.000 0.987 0.000) 0.987 11.705 ( 0.000 1.095 0.000) 1.095 11.902 ( 0.000 -3.772 0.000) 3.772 12.004 ( 0.000 9.006 0.000) 9.006 12.526 ( 0.000 13.334 0.000) 13.334 12.667 ( 0.000 11.356 0.000) 11.356 12.810 ( 0.000 -1.796 0.000) 1.796 12.836 ( 0.000 3.646 0.000) 3.646 12.845 ( 0.000 -7.680 0.000) 7.680 13.004 ( 0.000 17.526 0.000) 17.526 13.192 ( 0.000 5.466 0.000) 5.466 13.420 ( 0.000 -11.194 0.000) 11.194 13.612 ( 0.000 -5.800 0.000) 5.800 13.889 ( 0.000 1.052 0.000) 1.052 13.972 ( 0.000 12.078 0.000) 12.078 14.035 ( 0.000 15.338 0.000) 15.338 14.334 ( 0.000 -6.253 0.000) 6.253 14.365 ( 0.000 -5.597 0.000) 5.597 14.593 ( 0.000 -4.936 0.000) 4.936 15.390 ( 0.000 -6.753 0.000) 6.753 18.354 ( 0.000 1.015 0.000) 1.015 18.408 ( 0.000 3.448 0.000) 3.448 18.879 ( 0.000 0.437 0.000) 0.437 18.894 ( 0.000 5.943 0.000) 5.943 18.902 ( 0.000 -2.296 0.000) 2.296 18.973 ( 0.000 1.334 0.000) 1.334 19.048 ( 0.000 2.590 0.000) 2.590 19.146 ( 0.000 -2.302 0.000) 2.302 19.372 ( 0.000 -4.246 0.000) 4.246 19.401 ( 0.000 -1.816 0.000) 1.816 20.218 ( 0.000 -7.100 0.000) 7.100 20.219 ( 0.000 -8.320 0.000) 8.320 20.758 ( 0.000 1.555 0.000) 1.555 20.961 ( 0.000 -1.482 0.000) 1.482 21.041 ( 0.000 -0.500 0.000) 0.500 21.103 ( 0.000 -0.641 0.000) 0.641 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 29.800 24.527 0.000) 38.596 1.202 ( 30.004 29.627 0.000) 42.167 1.765 ( 34.926 47.576 0.000) 59.019 2.345 ( -1.443 17.995 0.000) 18.053 2.381 ( -4.292 4.903 0.000) 6.516 2.452 ( -4.735 7.162 0.000) 8.586 2.633 ( 6.844 15.967 0.000) 17.372 2.651 ( 13.107 21.119 0.000) 24.856 2.810 ( -10.847 18.802 0.000) 21.706 2.882 ( -11.426 12.281 0.000) 16.775 2.902 ( -8.049 3.955 0.000) 8.968 2.949 ( -16.537 3.087 0.000) 16.823 2.983 ( -13.370 11.374 0.000) 17.554 3.200 ( -7.905 12.114 0.000) 14.465 3.248 ( -2.348 -1.679 0.000) 2.886 3.357 ( -7.500 11.100 0.000) 13.396 3.513 ( -18.718 5.900 0.000) 19.626 3.560 ( -11.045 8.786 0.000) 14.113 3.715 ( 1.868 -4.398 0.000) 4.778 3.797 ( 12.163 -6.255 0.000) 13.677 3.861 ( -2.803 -3.719 0.000) 4.657 3.881 ( 4.101 7.097 0.000) 8.197 3.976 ( 8.231 5.648 0.000) 9.982 4.108 ( 2.661 10.084 0.000) 10.429 4.134 ( 6.185 3.012 0.000) 6.879 4.255 ( 3.768 6.196 0.000) 7.252 4.346 ( -3.293 -0.038 0.000) 3.293 4.387 ( -5.710 -2.025 0.000) 6.058 4.418 ( 3.990 5.961 0.000) 7.173 4.504 ( -12.127 5.600 0.000) 13.358 4.562 ( 1.800 1.830 0.000) 2.567 4.608 ( 7.905 1.498 0.000) 8.046 4.677 ( 0.368 0.967 0.000) 1.035 4.688 ( -3.465 6.018 0.000) 6.945 4.856 ( 2.674 3.699 0.000) 4.565 4.876 ( 2.240 5.200 0.000) 5.662 4.951 ( -6.886 4.432 0.000) 8.189 5.029 ( 7.211 0.456 0.000) 7.225 5.049 ( 0.402 2.334 0.000) 2.369 5.120 ( 9.649 0.086 0.000) 9.649 5.146 ( 9.817 -2.792 0.000) 10.207 5.291 ( -4.666 -0.854 0.000) 4.744 5.436 ( 10.950 -1.162 0.000) 11.012 5.492 ( 8.122 -3.182 0.000) 8.723 5.517 ( -1.057 -2.418 0.000) 2.639 5.533 ( -3.580 -4.436 0.000) 5.701 5.546 ( 4.999 1.679 0.000) 5.273 5.594 ( 0.428 -3.682 0.000) 3.707 5.604 ( -0.930 -2.290 0.000) 2.472 5.758 ( 0.990 0.927 0.000) 1.357 5.853 ( -0.488 -1.952 0.000) 2.012 5.941 ( 9.758 -1.434 0.000) 9.862 6.054 ( 4.989 -0.103 0.000) 4.990 6.099 ( 6.499 -3.060 0.000) 7.183 6.144 ( 1.841 -1.329 0.000) 2.271 6.276 ( 4.545 5.125 0.000) 6.850 6.341 ( 2.548 -4.130 0.000) 4.853 6.376 ( 3.892 3.788 0.000) 5.432 6.392 ( -6.062 0.211 0.000) 6.066 6.497 ( 4.954 6.489 0.000) 8.164 6.542 ( 5.269 3.672 0.000) 6.423 6.594 ( 1.826 3.938 0.000) 4.341 6.653 ( -11.376 1.379 0.000) 11.460 6.777 ( -4.930 -0.108 0.000) 4.931 6.856 ( -6.739 -2.661 0.000) 7.245 6.899 ( -6.421 -7.464 0.000) 9.846 6.941 ( -8.276 -7.089 0.000) 10.897 7.061 ( 1.199 -0.291 0.000) 1.234 7.139 ( -4.265 -9.426 0.000) 10.346 7.178 ( -4.648 1.467 0.000) 4.874 7.208 ( 0.699 -3.707 0.000) 3.773 7.301 ( 0.757 -3.203 0.000) 3.291 7.359 ( -6.236 -2.727 0.000) 6.806 7.443 ( -7.065 1.133 0.000) 7.155 7.524 ( -1.545 5.661 0.000) 5.868 7.571 ( -12.139 3.898 0.000) 12.750 7.631 ( -2.302 -1.664 0.000) 2.840 7.726 ( -2.987 2.105 0.000) 3.654 7.738 ( 5.005 -1.832 0.000) 5.330 7.759 ( -7.457 -3.836 0.000) 8.385 7.781 ( -5.567 6.501 0.000) 8.559 7.824 ( -5.647 2.653 0.000) 6.240 7.930 ( -5.877 -6.003 0.000) 8.401 7.995 ( 7.608 4.038 0.000) 8.613 8.040 ( 0.903 0.122 0.000) 0.911 8.136 ( -1.026 0.453 0.000) 1.121 8.187 ( -6.065 4.726 0.000) 7.688 8.198 ( 1.802 2.418 0.000) 3.016 8.246 ( 0.494 7.646 0.000) 7.662 8.321 ( -2.788 1.108 0.000) 3.001 8.372 ( 1.157 -4.329 0.000) 4.480 8.405 ( -0.798 -3.252 0.000) 3.348 8.528 ( 0.644 1.941 0.000) 2.045 8.583 ( 5.933 0.807 0.000) 5.987 8.594 ( 1.206 -1.006 0.000) 1.570 8.619 ( -1.448 1.984 0.000) 2.457 8.789 ( -1.587 -4.134 0.000) 4.428 8.835 ( 5.783 -1.924 0.000) 6.095 8.873 ( 4.153 -4.468 0.000) 6.100 8.982 ( 3.044 -0.865 0.000) 3.165 9.013 ( 4.170 -1.229 0.000) 4.347 9.019 ( 1.687 -0.649 0.000) 1.807 9.092 ( 10.319 2.612 0.000) 10.644 9.114 ( 5.021 -1.207 0.000) 5.164 9.319 ( 0.149 -0.137 0.000) 0.202 9.443 ( 9.684 -2.429 0.000) 9.984 9.484 ( -4.086 -4.254 0.000) 5.899 9.531 ( 3.282 -0.328 0.000) 3.299 9.729 ( -5.124 -1.490 0.000) 5.336 9.878 ( 8.386 -7.734 0.000) 11.408 9.921 ( 6.661 -4.029 0.000) 7.784 9.957 ( -2.178 -0.821 0.000) 2.327 10.008 ( 5.380 -1.075 0.000) 5.487 10.100 ( 2.712 2.744 0.000) 3.858 10.202 ( -6.310 -7.057 0.000) 9.467 10.205 ( 0.803 4.463 0.000) 4.535 10.280 ( -2.307 -6.722 0.000) 7.107 10.381 ( 1.404 0.799 0.000) 1.615 10.499 ( 0.823 -4.301 0.000) 4.379 10.661 ( -2.501 4.950 0.000) 5.545 10.736 ( 1.189 2.273 0.000) 2.565 10.754 ( -11.179 7.614 0.000) 13.525 10.863 ( 1.889 0.696 0.000) 2.013 11.010 ( 0.687 -2.917 0.000) 2.997 11.046 ( -0.247 -8.487 0.000) 8.491 11.163 ( -7.670 -11.148 0.000) 13.531 11.328 ( -0.253 -8.449 0.000) 8.453 11.396 ( -7.734 -2.688 0.000) 8.188 11.445 ( -2.025 -17.254 0.000) 17.373 11.463 ( -4.643 -16.617 0.000) 17.253 11.471 ( -0.867 -6.898 0.000) 6.953 11.509 ( -2.139 -13.687 0.000) 13.853 11.748 ( 10.443 -7.164 0.000) 12.664 11.917 ( 13.168 -2.937 0.000) 13.492 11.933 ( 1.772 -7.466 0.000) 7.673 12.092 ( 8.604 9.966 0.000) 13.166 12.501 ( -1.747 7.406 0.000) 7.610 12.713 ( -8.367 -2.199 0.000) 8.651 12.765 ( 6.223 6.082 0.000) 8.701 12.832 ( -1.307 -7.516 0.000) 7.629 12.902 ( 5.170 -0.164 0.000) 5.173 12.974 ( -2.536 15.240 0.000) 15.450 13.274 ( 6.940 5.494 0.000) 8.851 13.439 ( 3.538 -4.881 0.000) 6.028 13.679 ( 5.735 -4.951 0.000) 7.576 13.843 ( -11.694 12.865 0.000) 17.386 13.858 ( -3.633 2.719 0.000) 4.538 14.011 ( -2.470 12.609 0.000) 12.848 14.346 ( 1.550 -4.417 0.000) 4.681 14.407 ( 4.210 -5.437 0.000) 6.876 14.563 ( -3.116 -0.874 0.000) 3.236 14.957 ( -24.479 13.305 0.000) 27.861 18.433 ( 5.137 2.036 0.000) 5.526 18.673 ( 14.526 -11.276 0.000) 18.389 18.811 ( -5.522 2.201 0.000) 5.944 18.875 ( -0.533 0.097 0.000) 0.542 18.961 ( 3.004 1.024 0.000) 3.174 18.973 ( 0.402 1.174 0.000) 1.241 19.096 ( 2.831 -1.775 0.000) 3.342 19.111 ( -2.909 -1.909 0.000) 3.479 19.430 ( 4.947 -3.589 0.000) 6.112 19.440 ( 6.304 -4.337 0.000) 7.652 20.090 ( -10.451 -1.268 0.000) 10.527 20.142 ( -7.725 -7.739 0.000) 10.935 20.791 ( 3.203 1.209 0.000) 3.423 20.952 ( -1.055 -1.063 0.000) 1.498 21.013 ( -0.769 1.732 0.000) 1.895 21.093 ( -1.048 -0.608 0.000) 1.212 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 31.115 12.678 0.000) 33.599 1.719 ( 26.411 26.275 0.000) 37.254 2.175 ( -14.419 8.703 0.000) 16.842 2.180 ( -19.465 20.457 0.000) 28.238 2.362 ( 1.139 10.368 0.000) 10.430 2.528 ( 13.018 19.365 0.000) 23.334 2.558 ( -0.939 15.164 0.000) 15.193 2.685 ( -4.559 24.066 0.000) 24.494 2.692 ( -2.388 5.932 0.000) 6.395 2.748 ( -4.094 2.640 0.000) 4.871 2.855 ( 4.122 5.053 0.000) 6.521 2.869 ( 9.695 13.840 0.000) 16.898 2.915 ( 4.056 6.869 0.000) 7.977 3.081 ( -11.188 8.676 0.000) 14.158 3.096 ( 2.582 19.000 0.000) 19.174 3.216 ( -4.281 17.644 0.000) 18.156 3.262 ( -6.924 14.022 0.000) 15.638 3.416 ( -10.431 3.678 0.000) 11.060 3.734 ( -4.049 -4.082 0.000) 5.750 3.833 ( -17.881 -0.528 0.000) 17.889 3.847 ( 5.638 -6.863 0.000) 8.882 3.928 ( -1.730 -4.215 0.000) 4.556 4.072 ( 5.670 1.143 0.000) 5.784 4.153 ( -1.713 3.950 0.000) 4.306 4.201 ( 6.786 5.229 0.000) 8.567 4.290 ( 14.401 5.827 0.000) 15.535 4.341 ( -0.934 3.005 0.000) 3.147 4.374 ( 2.936 -3.567 0.000) 4.620 4.416 ( -0.847 2.535 0.000) 2.672 4.438 ( 6.753 10.272 0.000) 12.293 4.514 ( -3.111 10.171 0.000) 10.636 4.531 ( -9.200 8.552 0.000) 12.561 4.589 ( -6.850 10.719 0.000) 12.721 4.670 ( -7.788 4.538 0.000) 9.014 4.776 ( -8.840 2.303 0.000) 9.135 4.804 ( -7.081 11.298 0.000) 13.334 5.084 ( 3.649 -3.621 0.000) 5.141 5.109 ( 1.510 -4.210 0.000) 4.472 5.130 ( 18.210 1.485 0.000) 18.270 5.238 ( 5.001 -2.449 0.000) 5.569 5.261 ( 1.690 -4.943 0.000) 5.224 5.363 ( 11.280 2.715 0.000) 11.602 5.420 ( -9.758 -0.796 0.000) 9.791 5.491 ( -0.610 -1.655 0.000) 1.764 5.539 ( -7.223 -2.914 0.000) 7.789 5.564 ( -4.314 -0.689 0.000) 4.369 5.601 ( 4.178 -4.101 0.000) 5.854 5.682 ( -4.400 -1.863 0.000) 4.778 5.705 ( 7.454 -2.497 0.000) 7.861 5.786 ( -0.429 1.189 0.000) 1.264 5.834 ( 18.083 -1.526 0.000) 18.147 6.059 ( -3.543 -6.224 0.000) 7.162 6.185 ( 9.270 -3.330 0.000) 9.850 6.224 ( 8.321 -1.881 0.000) 8.531 6.251 ( 2.882 -1.038 0.000) 3.063 6.287 ( -1.943 3.237 0.000) 3.775 6.364 ( 0.192 0.944 0.000) 0.963 6.388 ( -3.415 -4.318 0.000) 5.506 6.444 ( 5.485 1.198 0.000) 5.614 6.507 ( 1.586 -8.212 0.000) 8.364 6.624 ( 6.081 2.352 0.000) 6.520 6.642 ( -1.855 -5.009 0.000) 5.342 6.652 ( 3.810 1.077 0.000) 3.959 6.743 ( 0.017 2.621 0.000) 2.621 6.773 ( 0.053 -7.815 0.000) 7.816 6.807 ( 0.117 -4.782 0.000) 4.783 6.865 ( 6.176 6.044 0.000) 8.641 6.979 ( -6.796 -2.242 0.000) 7.156 7.081 ( -7.491 4.907 0.000) 8.955 7.094 ( -4.602 -6.779 0.000) 8.194 7.118 ( -8.479 -0.481 0.000) 8.492 7.201 ( -12.380 2.591 0.000) 12.649 7.234 ( -4.238 6.927 0.000) 8.120 7.286 ( -9.762 5.399 0.000) 11.155 7.415 ( -0.729 6.415 0.000) 6.456 7.429 ( 1.357 4.806 0.000) 4.994 7.577 ( -8.270 4.203 0.000) 9.277 7.580 ( 3.714 -1.945 0.000) 4.193 7.645 ( -9.838 2.550 0.000) 10.163 7.691 ( -5.399 -0.429 0.000) 5.416 7.788 ( -0.102 -4.024 0.000) 4.025 7.789 ( -0.701 -8.056 0.000) 8.087 7.873 ( 5.768 -2.003 0.000) 6.106 7.983 ( -5.359 -4.581 0.000) 7.051 8.129 ( 3.362 3.150 0.000) 4.607 8.167 ( 1.417 3.143 0.000) 3.447 8.201 ( 2.951 -1.830 0.000) 3.472 8.204 ( -0.604 -0.441 0.000) 0.748 8.287 ( 0.979 6.383 0.000) 6.458 8.287 ( 0.675 5.093 0.000) 5.138 8.456 ( 3.490 -7.282 0.000) 8.075 8.466 ( 4.075 -7.476 0.000) 8.514 8.563 ( 5.897 3.630 0.000) 6.925 8.565 ( -1.392 1.453 0.000) 2.013 8.581 ( -1.954 -0.988 0.000) 2.189 8.648 ( -0.410 2.950 0.000) 2.978 8.815 ( 3.032 -2.857 0.000) 4.166 8.846 ( -1.506 2.214 0.000) 2.678 8.891 ( -0.535 -2.054 0.000) 2.123 8.937 ( -5.192 1.146 0.000) 5.316 9.116 ( 5.184 -0.745 0.000) 5.237 9.124 ( 8.109 -1.642 0.000) 8.273 9.180 ( 0.554 -3.286 0.000) 3.333 9.258 ( 0.582 0.800 0.000) 0.989 9.356 ( 3.922 0.724 0.000) 3.988 9.398 ( -1.953 -1.582 0.000) 2.514 9.577 ( 2.708 -0.729 0.000) 2.804 9.627 ( -4.333 -2.916 0.000) 5.223 9.719 ( 14.122 -2.783 0.000) 14.394 9.816 ( -4.912 1.032 0.000) 5.019 9.864 ( -3.934 0.843 0.000) 4.023 10.020 ( -11.558 -6.027 0.000) 13.035 10.098 ( 3.777 -3.596 0.000) 5.215 10.109 ( 3.931 -7.366 0.000) 8.349 10.186 ( 3.358 0.739 0.000) 3.438 10.230 ( -2.464 -3.774 0.000) 4.507 10.296 ( 9.578 3.633 0.000) 10.244 10.419 ( 2.067 1.401 0.000) 2.497 10.479 ( -2.594 -1.544 0.000) 3.019 10.509 ( -10.597 6.531 0.000) 12.448 10.702 ( 1.879 0.782 0.000) 2.035 10.747 ( -1.391 0.433 0.000) 1.457 10.941 ( 6.063 -1.308 0.000) 6.202 11.009 ( 2.013 -4.340 0.000) 4.784 11.031 ( -1.124 -8.589 0.000) 8.662 11.070 ( -3.787 -7.906 0.000) 8.766 11.250 ( -5.337 -0.003 0.000) 5.337 11.295 ( -7.417 -9.998 0.000) 12.449 11.391 ( -2.075 -12.492 0.000) 12.663 11.402 ( -1.719 -17.633 0.000) 17.716 11.446 ( 5.953 -4.316 0.000) 7.353 11.535 ( -1.151 -8.507 0.000) 8.584 11.861 ( 3.661 -8.634 0.000) 9.378 11.927 ( -2.631 -10.597 0.000) 10.919 12.151 ( 11.040 0.893 0.000) 11.076 12.237 ( 3.693 7.289 0.000) 8.171 12.497 ( 0.916 -0.435 0.000) 1.014 12.557 ( -6.910 -2.418 0.000) 7.320 12.806 ( -0.498 5.746 0.000) 5.768 12.807 ( -1.006 -1.647 0.000) 1.930 12.947 ( 0.260 5.455 0.000) 5.461 12.960 ( 0.338 -3.531 0.000) 3.548 13.412 ( 7.849 6.696 0.000) 10.317 13.555 ( 2.174 10.949 0.000) 11.163 13.606 ( -3.907 2.727 0.000) 4.765 13.747 ( -8.066 4.831 0.000) 9.402 13.828 ( 7.002 -1.959 0.000) 7.271 13.943 ( -4.971 5.110 0.000) 7.130 14.398 ( 4.052 1.727 0.000) 4.405 14.486 ( -4.850 5.261 0.000) 7.155 14.510 ( 6.678 -4.783 0.000) 8.214 14.660 ( -10.161 1.134 0.000) 10.224 18.554 ( 7.379 1.798 0.000) 7.595 18.692 ( -7.112 1.829 0.000) 7.344 18.818 ( 3.614 -4.159 0.000) 5.510 18.859 ( -1.281 -0.895 0.000) 1.563 18.992 ( 1.513 -0.022 0.000) 1.513 19.007 ( 1.201 -0.120 0.000) 1.206 19.067 ( -0.846 -0.597 0.000) 1.035 19.094 ( -2.185 -0.995 0.000) 2.401 19.570 ( 6.336 -5.692 0.000) 8.517 19.575 ( 7.188 -8.932 0.000) 11.465 19.920 ( -5.665 0.128 0.000) 5.666 19.970 ( -9.130 -5.222 0.000) 10.518 20.860 ( 3.720 0.574 0.000) 3.764 20.919 ( -2.510 -0.204 0.000) 2.519 21.027 ( 1.748 0.611 0.000) 1.852 21.064 ( -1.967 -0.312 0.000) 1.991 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 31.111 0.000) 31.111 1.492 ( 0.000 31.709 0.000) 31.709 2.452 ( 0.000 -3.848 0.000) 3.848 2.562 ( 0.000 4.383 0.000) 4.383 2.686 ( 0.000 14.388 0.000) 14.388 2.717 ( 0.000 53.158 0.000) 53.158 3.006 ( 0.000 24.564 0.000) 24.564 3.008 ( 0.000 7.943 0.000) 7.943 3.059 ( 0.000 4.298 0.000) 4.298 3.165 ( 0.000 25.495 0.000) 25.495 3.273 ( 0.000 3.294 0.000) 3.294 3.318 ( 0.000 8.435 0.000) 8.435 3.359 ( 0.000 -2.369 0.000) 2.369 3.530 ( 0.000 20.113 0.000) 20.113 3.531 ( 0.000 -12.629 0.000) 12.629 3.570 ( 0.000 18.174 0.000) 18.174 3.636 ( 0.000 30.489 0.000) 30.489 3.638 ( 0.000 8.144 0.000) 8.144 3.725 ( 0.000 4.578 0.000) 4.578 3.966 ( 0.000 15.462 0.000) 15.462 4.001 ( 0.000 6.986 0.000) 6.986 4.123 ( 0.000 1.589 0.000) 1.589 4.161 ( 0.000 8.071 0.000) 8.071 4.167 ( 0.000 8.590 0.000) 8.590 4.214 ( 0.000 10.508 0.000) 10.508 4.256 ( 0.000 3.410 0.000) 3.410 4.381 ( 0.000 -2.510 0.000) 2.510 4.458 ( 0.000 1.254 0.000) 1.254 4.525 ( 0.000 -2.291 0.000) 2.291 4.538 ( 0.000 14.304 0.000) 14.304 4.551 ( 0.000 3.016 0.000) 3.016 4.593 ( 0.000 16.374 0.000) 16.374 4.745 ( 0.000 -8.039 0.000) 8.039 4.772 ( 0.000 -1.761 0.000) 1.761 4.865 ( 0.000 10.428 0.000) 10.428 4.865 ( 0.000 11.044 0.000) 11.044 4.891 ( 0.000 -8.911 0.000) 8.911 5.088 ( 0.000 10.054 0.000) 10.054 5.136 ( 0.000 -5.283 0.000) 5.283 5.140 ( 0.000 -6.955 0.000) 6.955 5.196 ( 0.000 13.917 0.000) 13.917 5.301 ( 0.000 -4.026 0.000) 4.026 5.307 ( 0.000 13.064 0.000) 13.064 5.348 ( 0.000 -6.517 0.000) 6.517 5.356 ( 0.000 -0.277 0.000) 0.277 5.562 ( 0.000 -5.847 0.000) 5.847 5.565 ( 0.000 1.230 0.000) 1.230 5.599 ( 0.000 5.293 0.000) 5.293 5.654 ( 0.000 6.891 0.000) 6.891 5.769 ( 0.000 0.694 0.000) 0.694 5.893 ( 0.000 7.411 0.000) 7.411 5.894 ( 0.000 -1.315 0.000) 1.315 6.002 ( 0.000 -4.243 0.000) 4.243 6.088 ( 0.000 -2.035 0.000) 2.035 6.127 ( 0.000 -0.206 0.000) 0.206 6.168 ( 0.000 -8.446 0.000) 8.446 6.265 ( 0.000 5.037 0.000) 5.037 6.430 ( 0.000 7.448 0.000) 7.448 6.434 ( 0.000 -1.090 0.000) 1.090 6.454 ( 0.000 2.609 0.000) 2.609 6.681 ( 0.000 4.648 0.000) 4.648 6.702 ( 0.000 2.543 0.000) 2.543 6.811 ( 0.000 3.581 0.000) 3.581 6.833 ( 0.000 -1.046 0.000) 1.046 6.836 ( 0.000 -4.107 0.000) 4.107 6.928 ( 0.000 -2.432 0.000) 2.432 6.929 ( 0.000 -3.021 0.000) 3.021 6.979 ( 0.000 -4.061 0.000) 4.061 7.028 ( 0.000 2.783 0.000) 2.783 7.159 ( 0.000 6.461 0.000) 6.461 7.183 ( 0.000 -10.164 0.000) 10.164 7.285 ( 0.000 -14.681 0.000) 14.681 7.318 ( 0.000 3.344 0.000) 3.344 7.429 ( 0.000 5.658 0.000) 5.658 7.484 ( 0.000 -9.290 0.000) 9.290 7.519 ( 0.000 -2.354 0.000) 2.354 7.578 ( 0.000 -10.277 0.000) 10.277 7.638 ( 0.000 -8.485 0.000) 8.485 7.773 ( 0.000 5.239 0.000) 5.239 7.792 ( 0.000 -3.573 0.000) 3.573 7.871 ( 0.000 -3.680 0.000) 3.680 7.921 ( 0.000 -6.330 0.000) 6.330 7.986 ( 0.000 -6.087 0.000) 6.087 8.032 ( 0.000 7.611 0.000) 7.611 8.147 ( 0.000 -8.944 0.000) 8.944 8.220 ( 0.000 -5.659 0.000) 5.659 8.266 ( 0.000 8.323 0.000) 8.323 8.275 ( 0.000 6.325 0.000) 6.325 8.292 ( 0.000 -17.953 0.000) 17.953 8.304 ( 0.000 -10.657 0.000) 10.657 8.347 ( 0.000 0.596 0.000) 0.596 8.398 ( 0.000 5.620 0.000) 5.620 8.404 ( 0.000 8.379 0.000) 8.379 8.483 ( 0.000 -12.081 0.000) 12.081 8.545 ( 0.000 -1.726 0.000) 1.726 8.561 ( 0.000 5.770 0.000) 5.770 8.676 ( 0.000 -6.153 0.000) 6.153 8.742 ( 0.000 6.948 0.000) 6.948 8.795 ( 0.000 4.802 0.000) 4.802 8.804 ( 0.000 -1.953 0.000) 1.953 9.028 ( 0.000 2.603 0.000) 2.603 9.044 ( 0.000 1.040 0.000) 1.040 9.055 ( 0.000 3.493 0.000) 3.493 9.093 ( 0.000 1.611 0.000) 1.611 9.296 ( 0.000 -0.385 0.000) 0.385 9.352 ( 0.000 -1.573 0.000) 1.573 9.404 ( 0.000 -5.367 0.000) 5.367 9.426 ( 0.000 -2.973 0.000) 2.973 9.634 ( 0.000 -12.023 0.000) 12.023 9.767 ( 0.000 2.490 0.000) 2.490 9.807 ( 0.000 -5.090 0.000) 5.090 9.926 ( 0.000 -3.044 0.000) 3.044 9.936 ( 0.000 0.214 0.000) 0.214 10.062 ( 0.000 -11.570 0.000) 11.570 10.137 ( 0.000 3.202 0.000) 3.202 10.224 ( 0.000 1.856 0.000) 1.856 10.324 ( 0.000 0.880 0.000) 0.880 10.358 ( 0.000 -4.949 0.000) 4.949 10.371 ( 0.000 -0.680 0.000) 0.680 10.760 ( 0.000 -3.337 0.000) 3.337 10.803 ( 0.000 -10.746 0.000) 10.746 10.861 ( 0.000 7.512 0.000) 7.512 10.885 ( 0.000 2.818 0.000) 2.818 10.933 ( 0.000 -4.335 0.000) 4.335 10.946 ( 0.000 0.744 0.000) 0.744 10.997 ( 0.000 -18.684 0.000) 18.684 11.115 ( 0.000 -13.044 0.000) 13.044 11.175 ( 0.000 2.548 0.000) 2.548 11.190 ( 0.000 -2.691 0.000) 2.691 11.238 ( 0.000 -9.260 0.000) 9.260 11.333 ( 0.000 -5.160 0.000) 5.160 11.402 ( 0.000 -7.209 0.000) 7.209 11.618 ( 0.000 -5.823 0.000) 5.823 11.760 ( 0.000 -9.099 0.000) 9.099 11.821 ( 0.000 10.479 0.000) 10.479 12.120 ( 0.000 2.614 0.000) 2.614 12.645 ( 0.000 -11.507 0.000) 11.507 12.695 ( 0.000 3.061 0.000) 3.061 12.798 ( 0.000 2.184 0.000) 2.184 12.807 ( 0.000 -7.982 0.000) 7.982 12.879 ( 0.000 6.089 0.000) 6.089 13.249 ( 0.000 -2.304 0.000) 2.304 13.338 ( 0.000 4.122 0.000) 4.122 13.400 ( 0.000 17.658 0.000) 17.658 13.486 ( 0.000 -4.311 0.000) 4.311 13.884 ( 0.000 -0.433 0.000) 0.433 14.154 ( 0.000 -10.619 0.000) 10.619 14.174 ( 0.000 7.533 0.000) 7.533 14.254 ( 0.000 -3.926 0.000) 3.926 14.384 ( 0.000 16.631 0.000) 16.631 14.458 ( 0.000 -7.716 0.000) 7.716 15.233 ( 0.000 -7.942 0.000) 7.942 18.399 ( 0.000 3.381 0.000) 3.381 18.495 ( 0.000 4.989 0.000) 4.989 18.831 ( 0.000 -4.393 0.000) 4.393 18.887 ( 0.000 -0.239 0.000) 0.239 18.999 ( 0.000 1.007 0.000) 1.007 19.051 ( 0.000 6.746 0.000) 6.746 19.100 ( 0.000 0.428 0.000) 0.428 19.129 ( 0.000 5.376 0.000) 5.376 19.266 ( 0.000 -5.384 0.000) 5.384 19.348 ( 0.000 -3.194 0.000) 3.194 19.996 ( 0.000 -12.799 0.000) 12.799 20.031 ( 0.000 -10.769 0.000) 10.769 20.789 ( 0.000 1.326 0.000) 1.326 20.921 ( 0.000 -2.237 0.000) 2.237 21.028 ( 0.000 -0.648 0.000) 0.648 21.082 ( 0.000 -1.350 0.000) 1.350 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 16.364 25.496 0.000) 30.296 1.775 ( 25.790 25.899 0.000) 36.549 2.424 ( -3.368 -2.119 0.000) 3.979 2.564 ( -0.808 4.677 0.000) 4.746 2.719 ( 0.369 34.907 0.000) 34.909 2.742 ( 4.501 15.974 0.000) 16.596 2.911 ( -12.634 2.544 0.000) 12.887 3.001 ( -0.354 16.665 0.000) 16.669 3.039 ( 1.322 17.624 0.000) 17.674 3.103 ( -9.590 9.835 0.000) 13.736 3.140 ( -8.181 13.820 0.000) 16.060 3.218 ( 4.997 15.978 0.000) 16.741 3.407 ( -5.562 17.579 0.000) 18.438 3.430 ( -17.723 26.013 0.000) 31.477 3.464 ( -4.673 -3.744 0.000) 5.988 3.571 ( 0.852 2.954 0.000) 3.075 3.587 ( -2.711 14.329 0.000) 14.583 3.651 ( 3.242 8.009 0.000) 8.640 3.811 ( 0.058 14.470 0.000) 14.470 3.818 ( -0.501 8.922 0.000) 8.936 3.958 ( -2.565 15.954 0.000) 16.159 4.050 ( 1.035 5.913 0.000) 6.003 4.135 ( -8.398 8.612 0.000) 12.029 4.199 ( 5.161 4.092 0.000) 6.586 4.251 ( 3.085 4.726 0.000) 5.644 4.347 ( 5.863 5.512 0.000) 8.047 4.360 ( -6.619 5.176 0.000) 8.403 4.509 ( -1.781 11.578 0.000) 11.714 4.521 ( -4.618 -1.539 0.000) 4.867 4.556 ( 12.306 -2.613 0.000) 12.580 4.640 ( 6.668 8.612 0.000) 10.892 4.645 ( 4.250 8.404 0.000) 9.418 4.805 ( 3.713 1.133 0.000) 3.882 4.840 ( 8.579 -4.552 0.000) 9.712 4.845 ( -0.103 6.347 0.000) 6.348 4.936 ( -2.053 -1.841 0.000) 2.757 4.955 ( -6.002 5.515 0.000) 8.151 5.061 ( 3.670 -2.226 0.000) 4.292 5.080 ( 5.448 5.018 0.000) 7.407 5.229 ( -5.576 10.269 0.000) 11.685 5.237 ( 7.220 7.821 0.000) 10.644 5.293 ( 3.963 4.363 0.000) 5.895 5.363 ( 3.169 -6.246 0.000) 7.004 5.383 ( 13.274 -3.563 0.000) 13.744 5.464 ( 2.027 -1.754 0.000) 2.680 5.528 ( 3.804 3.449 0.000) 5.135 5.549 ( -1.171 -0.317 0.000) 1.213 5.610 ( 0.893 4.198 0.000) 4.292 5.621 ( -10.107 2.647 0.000) 10.448 5.781 ( 8.648 1.420 0.000) 8.764 5.824 ( -4.991 -1.197 0.000) 5.133 5.921 ( -2.751 -1.575 0.000) 3.170 6.009 ( 2.596 -3.284 0.000) 4.186 6.025 ( 2.919 -3.196 0.000) 4.329 6.162 ( -0.975 2.548 0.000) 2.728 6.206 ( 2.945 -8.378 0.000) 8.880 6.380 ( 6.380 0.805 0.000) 6.431 6.387 ( -3.639 -0.715 0.000) 3.708 6.428 ( -0.257 5.688 0.000) 5.694 6.507 ( 5.270 -4.074 0.000) 6.661 6.679 ( -8.184 2.329 0.000) 8.509 6.701 ( -7.290 2.619 0.000) 7.747 6.716 ( 3.003 9.136 0.000) 9.617 6.747 ( -7.600 -5.318 0.000) 9.276 6.781 ( -10.481 0.321 0.000) 10.486 6.832 ( 0.753 6.034 0.000) 6.080 6.916 ( -0.696 1.669 0.000) 1.808 6.967 ( 2.786 -2.442 0.000) 3.705 7.028 ( 2.291 -5.263 0.000) 5.740 7.151 ( -0.576 -4.126 0.000) 4.166 7.204 ( -9.607 -1.958 0.000) 9.804 7.257 ( -0.100 -6.153 0.000) 6.154 7.351 ( 2.806 2.768 0.000) 3.942 7.363 ( 2.380 -2.483 0.000) 3.439 7.521 ( 0.397 -6.721 0.000) 6.732 7.525 ( -5.034 -8.191 0.000) 9.614 7.586 ( 2.649 0.688 0.000) 2.737 7.669 ( -4.065 -4.577 0.000) 6.122 7.726 ( -6.262 -4.456 0.000) 7.685 7.762 ( -2.476 -0.871 0.000) 2.625 7.821 ( 1.031 -0.880 0.000) 1.356 7.830 ( -11.735 -4.026 0.000) 12.407 7.873 ( -14.080 -2.488 0.000) 14.298 7.958 ( -5.702 1.007 0.000) 5.791 8.114 ( -1.460 -9.268 0.000) 9.383 8.115 ( 1.397 1.618 0.000) 2.138 8.167 ( 1.540 -5.848 0.000) 6.047 8.267 ( 1.964 -2.327 0.000) 3.044 8.305 ( 1.332 5.368 0.000) 5.531 8.322 ( -6.392 5.016 0.000) 8.125 8.364 ( 3.415 -3.507 0.000) 4.895 8.383 ( 0.120 3.135 0.000) 3.137 8.478 ( -1.591 -4.194 0.000) 4.486 8.584 ( 11.642 -1.585 0.000) 11.750 8.602 ( 2.354 -5.956 0.000) 6.404 8.620 ( 0.773 4.588 0.000) 4.653 8.711 ( 2.259 -7.602 0.000) 7.931 8.755 ( -1.810 4.618 0.000) 4.960 8.825 ( 8.114 1.101 0.000) 8.189 8.929 ( 9.014 -3.936 0.000) 9.835 8.991 ( -2.625 0.210 0.000) 2.634 9.014 ( -2.705 -0.350 0.000) 2.727 9.118 ( 1.038 0.409 0.000) 1.116 9.148 ( 9.404 2.742 0.000) 9.796 9.289 ( -0.716 -2.586 0.000) 2.683 9.400 ( 7.487 -0.847 0.000) 7.534 9.410 ( -0.936 -3.537 0.000) 3.659 9.539 ( 9.113 0.408 0.000) 9.122 9.560 ( -6.364 -14.258 0.000) 15.614 9.822 ( 2.815 -1.523 0.000) 3.201 9.854 ( 6.039 -2.493 0.000) 6.534 9.936 ( 0.115 -1.691 0.000) 1.695 10.011 ( 5.027 1.641 0.000) 5.288 10.068 ( 0.549 -9.654 0.000) 9.670 10.158 ( 3.235 1.981 0.000) 3.793 10.160 ( -6.105 0.780 0.000) 6.155 10.244 ( -3.153 -0.456 0.000) 3.186 10.387 ( 1.809 -0.588 0.000) 1.902 10.421 ( 3.124 -2.564 0.000) 4.041 10.736 ( -2.297 -5.367 0.000) 5.838 10.764 ( -5.507 -0.421 0.000) 5.523 10.814 ( -3.206 -1.046 0.000) 3.372 10.878 ( -3.648 -2.175 0.000) 4.247 10.908 ( -8.380 -13.492 0.000) 15.883 10.916 ( 1.769 2.522 0.000) 3.081 10.925 ( -0.338 -3.515 0.000) 3.531 11.064 ( -4.186 -14.217 0.000) 14.821 11.197 ( -0.403 -2.425 0.000) 2.458 11.237 ( 6.663 -4.433 0.000) 8.003 11.266 ( 5.568 -1.660 0.000) 5.810 11.303 ( -6.097 -4.324 0.000) 7.475 11.435 ( -1.645 -4.803 0.000) 5.077 11.645 ( 3.587 -2.235 0.000) 4.226 11.733 ( -2.594 -11.118 0.000) 11.417 11.876 ( 8.291 -0.073 0.000) 8.291 12.220 ( 8.901 2.447 0.000) 9.231 12.634 ( -1.104 -11.029 0.000) 11.084 12.637 ( -5.678 4.669 0.000) 7.351 12.692 ( -9.721 1.124 0.000) 9.786 12.770 ( -4.292 -10.445 0.000) 11.292 12.943 ( 7.574 6.524 0.000) 9.996 13.240 ( -1.737 2.222 0.000) 2.820 13.423 ( 2.734 13.293 0.000) 13.571 13.490 ( 13.113 7.657 0.000) 15.185 13.540 ( 6.053 -6.638 0.000) 8.984 13.865 ( -2.246 -1.576 0.000) 2.744 14.046 ( -12.388 6.697 0.000) 14.082 14.170 ( 0.330 -6.144 0.000) 6.152 14.288 ( 2.565 -2.717 0.000) 3.737 14.373 ( 1.226 12.222 0.000) 12.283 14.473 ( 0.649 -5.836 0.000) 5.872 15.049 ( -16.426 -1.441 0.000) 16.489 18.472 ( 5.562 1.729 0.000) 5.824 18.581 ( 8.735 1.228 0.000) 8.821 18.799 ( -3.530 -3.284 0.000) 4.822 18.875 ( -1.319 -0.165 0.000) 1.329 19.000 ( 0.186 0.936 0.000) 0.955 19.045 ( -0.230 2.082 0.000) 2.094 19.080 ( -1.518 3.731 0.000) 4.028 19.131 ( -0.244 4.314 0.000) 4.321 19.334 ( 6.034 -5.364 0.000) 8.074 19.364 ( 2.240 -3.370 0.000) 4.047 19.935 ( -5.961 -11.860 0.000) 13.274 19.964 ( -6.494 -9.288 0.000) 11.333 20.815 ( 2.507 0.979 0.000) 2.692 20.921 ( -0.179 -1.835 0.000) 1.844 21.024 ( -0.209 -0.263 0.000) 0.336 21.073 ( -0.903 -1.284 0.000) 1.570 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 17.774 12.740 0.000) 21.868 2.196 ( 5.719 9.723 0.000) 11.280 2.368 ( 6.810 17.433 0.000) 18.716 2.565 ( 0.733 12.684 0.000) 12.705 2.651 ( -8.087 15.760 0.000) 17.713 2.732 ( -0.238 6.598 0.000) 6.602 2.835 ( -1.101 7.423 0.000) 7.504 2.870 ( -13.287 11.969 0.000) 17.883 3.009 ( 1.394 14.467 0.000) 14.534 3.036 ( -1.469 9.849 0.000) 9.958 3.055 ( 1.162 15.945 0.000) 15.987 3.172 ( -11.414 16.546 0.000) 20.101 3.275 ( -1.787 5.026 0.000) 5.334 3.280 ( -0.864 14.230 0.000) 14.256 3.394 ( 5.117 9.203 0.000) 10.530 3.610 ( -9.549 14.623 0.000) 17.465 3.642 ( 7.094 25.754 0.000) 26.713 3.682 ( 1.271 22.367 0.000) 22.403 3.806 ( 7.773 8.751 0.000) 11.705 3.828 ( -2.636 7.706 0.000) 8.144 3.900 ( 0.996 20.785 0.000) 20.809 3.969 ( -11.127 5.381 0.000) 12.359 4.113 ( 4.647 -0.983 0.000) 4.750 4.221 ( -4.101 2.576 0.000) 4.843 4.331 ( 4.455 8.290 0.000) 9.411 4.384 ( 8.988 6.926 0.000) 11.347 4.389 ( -0.345 4.862 0.000) 4.874 4.456 ( -0.343 11.374 0.000) 11.379 4.478 ( -3.403 4.366 0.000) 5.535 4.625 ( -5.564 -2.151 0.000) 5.965 4.684 ( -5.116 5.690 0.000) 7.652 4.698 ( 0.517 7.762 0.000) 7.779 4.783 ( -0.241 8.473 0.000) 8.476 4.784 ( 2.350 5.080 0.000) 5.598 4.933 ( 2.746 10.108 0.000) 10.474 4.973 ( 0.522 6.626 0.000) 6.646 5.052 ( 7.828 -0.583 0.000) 7.850 5.078 ( -1.209 -0.289 0.000) 1.243 5.147 ( -0.679 -0.867 0.000) 1.102 5.164 ( -2.873 1.130 0.000) 3.087 5.216 ( 7.035 3.733 0.000) 7.964 5.408 ( -7.530 -1.584 0.000) 7.695 5.416 ( 2.709 -1.487 0.000) 3.090 5.461 ( -5.040 -1.984 0.000) 5.416 5.479 ( 6.678 -0.634 0.000) 6.708 5.498 ( 3.584 2.168 0.000) 4.189 5.575 ( -2.840 1.669 0.000) 3.294 5.658 ( -9.238 -0.219 0.000) 9.241 5.738 ( 10.291 5.230 0.000) 11.544 5.762 ( 15.304 -3.523 0.000) 15.704 5.860 ( -2.833 4.985 0.000) 5.733 5.924 ( -0.875 -6.000 0.000) 6.064 6.112 ( 7.273 -4.170 0.000) 8.383 6.158 ( 6.773 -2.895 0.000) 7.366 6.161 ( 8.592 -8.020 0.000) 11.753 6.237 ( -0.076 -6.267 0.000) 6.268 6.347 ( -0.959 -1.235 0.000) 1.564 6.374 ( -4.571 -5.584 0.000) 7.216 6.436 ( -1.143 2.612 0.000) 2.851 6.444 ( -8.933 0.835 0.000) 8.972 6.554 ( -6.871 -5.319 0.000) 8.689 6.556 ( -8.761 1.686 0.000) 8.921 6.696 ( 8.022 0.287 0.000) 8.027 6.755 ( 2.744 3.749 0.000) 4.646 6.762 ( 4.589 -1.102 0.000) 4.719 6.823 ( -2.611 3.229 0.000) 4.152 6.920 ( -0.933 -1.625 0.000) 1.874 6.957 ( -10.500 0.546 0.000) 10.514 7.035 ( 5.784 1.905 0.000) 6.090 7.127 ( 4.378 -1.056 0.000) 4.503 7.169 ( 2.191 6.410 0.000) 6.774 7.198 ( -7.543 -3.905 0.000) 8.494 7.374 ( -7.899 4.424 0.000) 9.053 7.386 ( -4.947 1.527 0.000) 5.178 7.468 ( -2.427 -6.641 0.000) 7.071 7.473 ( 7.108 -2.572 0.000) 7.559 7.524 ( 1.185 2.352 0.000) 2.634 7.562 ( -9.356 -10.344 0.000) 13.947 7.588 ( -1.315 -6.699 0.000) 6.827 7.661 ( -9.444 2.188 0.000) 9.694 7.717 ( 1.431 0.590 0.000) 1.548 7.742 ( -1.606 -2.390 0.000) 2.880 7.853 ( 1.100 -0.177 0.000) 1.114 7.882 ( -2.865 -0.718 0.000) 2.954 8.069 ( -1.287 -9.380 0.000) 9.468 8.107 ( -5.378 -6.359 0.000) 8.328 8.251 ( 2.726 6.684 0.000) 7.219 8.261 ( 3.889 -4.602 0.000) 6.025 8.317 ( 0.656 2.746 0.000) 2.823 8.342 ( 0.940 -3.079 0.000) 3.220 8.399 ( 1.185 3.169 0.000) 3.383 8.405 ( 0.895 1.498 0.000) 1.745 8.492 ( 3.467 -4.212 0.000) 5.455 8.570 ( -3.911 -1.499 0.000) 4.189 8.655 ( 4.035 4.902 0.000) 6.349 8.720 ( -1.547 0.543 0.000) 1.639 8.728 ( 2.519 -1.610 0.000) 2.990 8.735 ( 0.644 -9.102 0.000) 9.125 8.926 ( 0.374 2.218 0.000) 2.249 8.940 ( -2.140 -0.426 0.000) 2.182 9.056 ( 4.265 -5.077 0.000) 6.630 9.059 ( 7.627 -4.479 0.000) 8.845 9.127 ( 1.714 -2.352 0.000) 2.911 9.273 ( -4.774 0.019 0.000) 4.774 9.301 ( 1.961 -5.496 0.000) 5.835 9.349 ( -2.168 -4.888 0.000) 5.347 9.479 ( 1.145 -8.951 0.000) 9.024 9.505 ( 2.359 -5.013 0.000) 5.541 9.753 ( 12.088 3.567 0.000) 12.603 9.827 ( 0.308 -1.995 0.000) 2.019 9.887 ( -4.812 1.964 0.000) 5.198 9.941 ( -4.994 0.809 0.000) 5.059 10.057 ( 1.219 1.598 0.000) 2.011 10.061 ( 1.369 -0.641 0.000) 1.511 10.100 ( 1.774 -8.619 0.000) 8.800 10.151 ( -2.418 -3.232 0.000) 4.036 10.374 ( 12.830 3.169 0.000) 13.216 10.433 ( 2.499 -0.401 0.000) 2.531 10.455 ( 0.340 -0.750 0.000) 0.824 10.612 ( -11.532 2.119 0.000) 11.725 10.691 ( -1.745 -5.841 0.000) 6.096 10.711 ( -4.574 -0.736 0.000) 4.633 10.820 ( 0.825 -8.912 0.000) 8.950 10.874 ( -3.265 -6.964 0.000) 7.692 10.883 ( 1.779 -8.939 0.000) 9.115 10.932 ( -3.094 -4.168 0.000) 5.190 11.061 ( 6.076 -7.794 0.000) 9.883 11.177 ( 0.167 -1.238 0.000) 1.249 11.187 ( -5.715 -4.791 0.000) 7.458 11.257 ( -7.684 0.291 0.000) 7.689 11.406 ( 6.561 1.354 0.000) 6.699 11.416 ( 4.464 -2.632 0.000) 5.182 11.667 ( -1.543 -8.465 0.000) 8.604 11.673 ( -3.125 -13.109 0.000) 13.476 12.129 ( 16.088 -2.971 0.000) 16.360 12.351 ( -0.403 3.306 0.000) 3.330 12.494 ( -6.490 -4.323 0.000) 7.798 12.533 ( -4.886 2.614 0.000) 5.541 12.631 ( 0.882 -9.471 0.000) 9.512 12.682 ( -4.391 -10.749 0.000) 11.611 13.091 ( 6.989 8.620 0.000) 11.097 13.188 ( -3.685 10.197 0.000) 10.843 13.520 ( 8.521 5.356 0.000) 10.064 13.650 ( 6.420 -1.684 0.000) 6.637 13.734 ( -3.950 3.995 0.000) 5.618 13.789 ( -5.890 -2.336 0.000) 6.336 13.829 ( 5.441 6.704 0.000) 8.635 14.064 ( -11.178 6.126 0.000) 12.746 14.379 ( 6.201 -6.687 0.000) 9.119 14.459 ( -2.383 -4.967 0.000) 5.509 14.482 ( 10.025 5.757 0.000) 11.561 14.733 ( -16.042 3.303 0.000) 16.379 18.585 ( 6.497 0.824 0.000) 6.549 18.705 ( -6.130 -1.022 0.000) 6.215 18.742 ( 7.064 -1.754 0.000) 7.279 18.835 ( -3.221 -0.859 0.000) 3.334 19.010 ( 0.949 0.534 0.000) 1.089 19.034 ( -1.381 -1.135 0.000) 1.787 19.073 ( 1.323 5.305 0.000) 5.468 19.108 ( -1.988 3.336 0.000) 3.883 19.436 ( 4.349 -5.289 0.000) 6.847 19.445 ( 4.273 -5.909 0.000) 7.292 19.817 ( -4.734 -9.263 0.000) 10.402 19.833 ( -5.957 -7.558 0.000) 9.624 20.868 ( 2.799 0.170 0.000) 2.804 20.908 ( -1.387 -0.860 0.000) 1.632 21.029 ( 0.806 -0.419 0.000) 0.908 21.051 ( -1.391 -0.984 0.000) 1.704 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 14.261 0.000) 14.261 2.000 ( 0.000 13.665 0.000) 13.665 2.415 ( 0.000 6.837 0.000) 6.837 2.635 ( 0.000 6.098 0.000) 6.098 2.865 ( 0.000 3.167 0.000) 3.167 3.111 ( 0.000 1.680 0.000) 1.680 3.203 ( 0.000 4.642 0.000) 4.642 3.248 ( 0.000 -13.633 0.000) 13.633 3.363 ( 0.000 6.798 0.000) 6.798 3.406 ( 0.000 20.261 0.000) 20.261 3.452 ( 0.000 5.527 0.000) 5.527 3.501 ( 0.000 14.624 0.000) 14.624 3.502 ( 0.000 12.914 0.000) 12.914 3.594 ( 0.000 11.628 0.000) 11.628 3.753 ( 0.000 2.286 0.000) 2.286 3.755 ( 0.000 9.650 0.000) 9.650 3.786 ( 0.000 4.430 0.000) 4.430 3.928 ( 0.000 12.467 0.000) 12.467 4.062 ( 0.000 -0.305 0.000) 0.305 4.129 ( 0.000 -3.342 0.000) 3.342 4.149 ( 0.000 6.518 0.000) 6.518 4.224 ( 0.000 -12.892 0.000) 12.892 4.232 ( 0.000 18.467 0.000) 18.467 4.234 ( 0.000 -2.914 0.000) 2.914 4.396 ( 0.000 -14.471 0.000) 14.471 4.397 ( 0.000 20.134 0.000) 20.134 4.504 ( 0.000 10.600 0.000) 10.600 4.585 ( 0.000 -2.548 0.000) 2.548 4.597 ( 0.000 11.297 0.000) 11.297 4.611 ( 0.000 31.634 0.000) 31.634 4.676 ( 0.000 3.919 0.000) 3.919 4.731 ( 0.000 -3.548 0.000) 3.548 4.762 ( 0.000 0.402 0.000) 0.402 4.832 ( 0.000 11.048 0.000) 11.048 4.952 ( 0.000 16.429 0.000) 16.429 5.061 ( 0.000 13.852 0.000) 13.852 5.072 ( 0.000 -3.145 0.000) 3.145 5.077 ( 0.000 -0.879 0.000) 0.879 5.137 ( 0.000 14.067 0.000) 14.067 5.211 ( 0.000 -4.660 0.000) 4.660 5.268 ( 0.000 2.573 0.000) 2.573 5.269 ( 0.000 6.447 0.000) 6.447 5.328 ( 0.000 -0.344 0.000) 0.344 5.400 ( 0.000 -9.749 0.000) 9.749 5.520 ( 0.000 17.212 0.000) 17.212 5.582 ( 0.000 8.771 0.000) 8.771 5.620 ( 0.000 3.066 0.000) 3.066 5.689 ( 0.000 -8.156 0.000) 8.156 5.790 ( 0.000 3.499 0.000) 3.499 5.825 ( 0.000 8.136 0.000) 8.136 5.863 ( 0.000 -11.773 0.000) 11.773 5.881 ( 0.000 16.108 0.000) 16.108 5.973 ( 0.000 -8.253 0.000) 8.253 5.975 ( 0.000 1.687 0.000) 1.687 5.997 ( 0.000 -6.148 0.000) 6.148 6.174 ( 0.000 8.239 0.000) 8.239 6.424 ( 0.000 9.594 0.000) 9.594 6.480 ( 0.000 -3.411 0.000) 3.411 6.504 ( 0.000 9.428 0.000) 9.428 6.612 ( 0.000 -17.730 0.000) 17.730 6.643 ( 0.000 12.567 0.000) 12.567 6.662 ( 0.000 -14.795 0.000) 14.795 6.704 ( 0.000 1.116 0.000) 1.116 6.739 ( 0.000 -6.364 0.000) 6.364 6.850 ( 0.000 2.235 0.000) 2.235 6.888 ( 0.000 -2.836 0.000) 2.836 6.931 ( 0.000 -4.729 0.000) 4.729 6.985 ( 0.000 -12.984 0.000) 12.984 7.028 ( 0.000 7.114 0.000) 7.114 7.114 ( 0.000 6.687 0.000) 6.687 7.177 ( 0.000 -12.022 0.000) 12.022 7.222 ( 0.000 13.440 0.000) 13.440 7.300 ( 0.000 -17.512 0.000) 17.512 7.346 ( 0.000 7.150 0.000) 7.150 7.437 ( 0.000 -4.433 0.000) 4.433 7.442 ( 0.000 -18.434 0.000) 18.434 7.453 ( 0.000 10.226 0.000) 10.226 7.520 ( 0.000 3.092 0.000) 3.092 7.534 ( 0.000 -15.810 0.000) 15.810 7.736 ( 0.000 -6.133 0.000) 6.133 7.739 ( 0.000 -11.523 0.000) 11.523 7.788 ( 0.000 -6.595 0.000) 6.595 7.807 ( 0.000 -10.998 0.000) 10.998 7.921 ( 0.000 6.681 0.000) 6.681 8.036 ( 0.000 -13.167 0.000) 13.167 8.126 ( 0.000 -1.555 0.000) 1.555 8.199 ( 0.000 5.278 0.000) 5.278 8.201 ( 0.000 0.031 0.000) 0.031 8.237 ( 0.000 -8.524 0.000) 8.524 8.341 ( 0.000 -0.199 0.000) 0.199 8.372 ( 0.000 -0.345 0.000) 0.345 8.392 ( 0.000 5.887 0.000) 5.887 8.417 ( 0.000 -8.407 0.000) 8.407 8.475 ( 0.000 0.716 0.000) 0.716 8.546 ( 0.000 -8.209 0.000) 8.209 8.616 ( 0.000 7.655 0.000) 7.655 8.680 ( 0.000 5.775 0.000) 5.775 8.785 ( 0.000 0.782 0.000) 0.782 8.885 ( 0.000 7.687 0.000) 7.687 8.907 ( 0.000 3.670 0.000) 3.670 9.026 ( 0.000 -1.815 0.000) 1.815 9.027 ( 0.000 -8.015 0.000) 8.015 9.130 ( 0.000 6.822 0.000) 6.822 9.152 ( 0.000 4.590 0.000) 4.590 9.270 ( 0.000 -16.643 0.000) 16.643 9.303 ( 0.000 -3.962 0.000) 3.962 9.318 ( 0.000 -3.255 0.000) 3.255 9.359 ( 0.000 -3.486 0.000) 3.486 9.396 ( 0.000 9.328 0.000) 9.328 9.701 ( 0.000 -5.105 0.000) 5.105 9.831 ( 0.000 -5.261 0.000) 5.261 9.850 ( 0.000 -7.915 0.000) 7.915 9.878 ( 0.000 5.138 0.000) 5.138 9.944 ( 0.000 0.444 0.000) 0.444 10.173 ( 0.000 0.208 0.000) 0.208 10.307 ( 0.000 5.395 0.000) 5.395 10.317 ( 0.000 -4.961 0.000) 4.961 10.335 ( 0.000 3.366 0.000) 3.366 10.378 ( 0.000 6.136 0.000) 6.136 10.626 ( 0.000 -4.579 0.000) 4.579 10.630 ( 0.000 -5.419 0.000) 5.419 10.699 ( 0.000 -10.703 0.000) 10.703 10.782 ( 0.000 -9.030 0.000) 9.030 10.866 ( 0.000 -8.050 0.000) 8.050 10.918 ( 0.000 -1.081 0.000) 1.081 10.947 ( 0.000 -2.230 0.000) 2.230 10.976 ( 0.000 5.208 0.000) 5.208 11.084 ( 0.000 -6.207 0.000) 6.207 11.177 ( 0.000 0.419 0.000) 0.419 11.238 ( 0.000 -7.159 0.000) 7.159 11.404 ( 0.000 3.006 0.000) 3.006 11.413 ( 0.000 -12.725 0.000) 12.725 11.484 ( 0.000 17.074 0.000) 17.074 11.687 ( 0.000 12.402 0.000) 12.402 12.110 ( 0.000 -5.059 0.000) 5.059 12.129 ( 0.000 19.243 0.000) 19.243 12.419 ( 0.000 -8.139 0.000) 8.139 12.575 ( 0.000 -15.501 0.000) 15.501 12.594 ( 0.000 -10.654 0.000) 10.654 12.866 ( 0.000 3.550 0.000) 3.550 12.923 ( 0.000 0.563 0.000) 0.563 13.039 ( 0.000 -17.760 0.000) 17.760 13.501 ( 0.000 9.902 0.000) 9.902 13.501 ( 0.000 4.737 0.000) 4.737 13.640 ( 0.000 3.877 0.000) 3.877 13.929 ( 0.000 6.730 0.000) 6.730 13.929 ( 0.000 -10.966 0.000) 10.966 14.237 ( 0.000 1.784 0.000) 1.784 14.275 ( 0.000 2.439 0.000) 2.439 14.294 ( 0.000 -8.288 0.000) 8.288 14.684 ( 0.000 12.651 0.000) 12.651 15.074 ( 0.000 -7.725 0.000) 7.725 18.488 ( 0.000 5.199 0.000) 5.199 18.609 ( 0.000 6.087 0.000) 6.087 18.726 ( 0.000 -5.719 0.000) 5.719 18.849 ( 0.000 -3.887 0.000) 3.887 19.011 ( 0.000 0.250 0.000) 0.250 19.037 ( 0.000 -1.641 0.000) 1.641 19.190 ( 0.000 -1.427 0.000) 1.427 19.257 ( 0.000 2.991 0.000) 2.991 19.288 ( 0.000 1.720 0.000) 1.720 19.292 ( 0.000 11.802 0.000) 11.802 19.725 ( 0.000 -13.198 0.000) 13.198 19.794 ( 0.000 -12.193 0.000) 12.193 20.813 ( 0.000 1.109 0.000) 1.109 20.876 ( 0.000 -2.112 0.000) 2.112 21.019 ( 0.000 -0.119 0.000) 0.119 21.051 ( 0.000 -1.504 0.000) 1.504 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 5.898 10.003 0.000) 11.612 2.120 ( 8.897 3.431 0.000) 9.536 2.485 ( 9.396 14.261 0.000) 17.078 2.668 ( 3.691 8.008 0.000) 8.818 2.893 ( 0.776 2.818 0.000) 2.923 3.042 ( -5.801 6.836 0.000) 8.965 3.049 ( -12.623 4.366 0.000) 13.357 3.192 ( -9.422 1.590 0.000) 9.555 3.256 ( -1.194 -2.782 0.000) 3.028 3.308 ( -3.692 0.857 0.000) 3.790 3.417 ( -2.225 13.265 0.000) 13.450 3.449 ( -8.375 9.420 0.000) 12.605 3.457 ( -5.952 8.767 0.000) 10.596 3.667 ( 5.397 3.504 0.000) 6.434 3.697 ( -7.184 10.127 0.000) 12.417 3.752 ( -7.595 15.297 0.000) 17.079 3.861 ( 2.338 10.763 0.000) 11.014 3.885 ( -0.072 8.482 0.000) 8.483 4.031 ( 3.054 6.892 0.000) 7.538 4.091 ( 3.367 4.144 0.000) 5.339 4.200 ( 0.968 0.711 0.000) 1.201 4.239 ( 4.425 -0.127 0.000) 4.427 4.298 ( 1.282 14.616 0.000) 14.672 4.342 ( 1.400 3.369 0.000) 3.648 4.356 ( 2.367 5.273 0.000) 5.780 4.434 ( -1.752 8.764 0.000) 8.937 4.455 ( 6.268 -2.764 0.000) 6.850 4.586 ( -5.920 9.727 0.000) 11.387 4.588 ( -1.106 11.780 0.000) 11.831 4.619 ( 2.568 -0.155 0.000) 2.573 4.702 ( 10.324 0.646 0.000) 10.344 4.856 ( 4.019 0.136 0.000) 4.022 4.870 ( 12.811 9.225 0.000) 15.787 4.883 ( 1.909 0.858 0.000) 2.092 4.968 ( -9.432 13.048 0.000) 16.100 4.969 ( -0.089 8.165 0.000) 8.165 5.003 ( -4.648 6.904 0.000) 8.323 5.140 ( 0.410 9.074 0.000) 9.083 5.168 ( 6.004 5.288 0.000) 8.001 5.277 ( 5.840 0.530 0.000) 5.864 5.291 ( 10.214 -6.005 0.000) 11.848 5.343 ( -0.963 -1.389 0.000) 1.690 5.408 ( 9.116 7.759 0.000) 11.971 5.500 ( 3.913 -0.403 0.000) 3.933 5.508 ( -1.265 11.461 0.000) 11.531 5.559 ( -4.426 5.604 0.000) 7.141 5.629 ( -5.404 -3.257 0.000) 6.310 5.644 ( 7.132 7.289 0.000) 10.198 5.746 ( -0.208 2.861 0.000) 2.869 5.787 ( -1.825 5.141 0.000) 5.455 5.862 ( -5.259 -1.427 0.000) 5.449 5.880 ( 2.314 8.634 0.000) 8.938 5.999 ( 0.887 1.019 0.000) 1.351 6.000 ( 4.056 0.475 0.000) 4.084 6.012 ( 5.064 -7.820 0.000) 9.317 6.229 ( 0.068 4.971 0.000) 4.972 6.370 ( -5.286 -0.544 0.000) 5.314 6.389 ( -2.971 -1.421 0.000) 3.294 6.429 ( -5.410 4.704 0.000) 7.169 6.579 ( -5.776 -5.692 0.000) 8.110 6.628 ( -10.369 -10.133 0.000) 14.498 6.659 ( 0.113 4.814 0.000) 4.816 6.682 ( 2.327 -5.765 0.000) 6.217 6.773 ( 2.151 -1.301 0.000) 2.514 6.816 ( -0.356 -4.840 0.000) 4.853 6.891 ( 1.769 -3.367 0.000) 3.804 6.898 ( -2.569 -5.073 0.000) 5.687 7.005 ( -4.925 4.671 0.000) 6.788 7.024 ( -4.063 0.213 0.000) 4.068 7.027 ( -0.048 2.937 0.000) 2.937 7.198 ( -2.106 -7.907 0.000) 8.183 7.206 ( 8.077 8.251 0.000) 11.547 7.255 ( -9.014 -4.341 0.000) 10.005 7.271 ( -2.320 -11.888 0.000) 12.112 7.395 ( -3.890 -6.353 0.000) 7.450 7.460 ( 0.728 -10.441 0.000) 10.466 7.506 ( 6.486 3.983 0.000) 7.612 7.584 ( -6.088 -3.814 0.000) 7.183 7.586 ( 3.140 -3.273 0.000) 4.536 7.662 ( 3.688 0.789 0.000) 3.771 7.739 ( -1.436 -10.682 0.000) 10.778 7.776 ( -11.361 -6.292 0.000) 12.987 7.790 ( -0.518 -2.131 0.000) 2.193 7.872 ( -6.600 -9.045 0.000) 11.197 7.985 ( 4.311 1.525 0.000) 4.573 8.056 ( -4.232 1.616 0.000) 4.530 8.095 ( -3.118 0.223 0.000) 3.126 8.250 ( -0.358 -13.831 0.000) 13.836 8.251 ( 3.388 -3.133 0.000) 4.615 8.338 ( -8.001 -5.388 0.000) 9.646 8.395 ( 2.437 2.676 0.000) 3.619 8.414 ( 3.041 -1.662 0.000) 3.466 8.446 ( 1.180 5.291 0.000) 5.421 8.517 ( 9.005 -2.692 0.000) 9.399 8.575 ( 2.851 0.008 0.000) 2.851 8.636 ( 1.371 6.775 0.000) 6.913 8.732 ( 2.552 4.451 0.000) 5.131 8.831 ( 4.499 -4.819 0.000) 6.593 8.900 ( -1.067 7.057 0.000) 7.138 8.911 ( 3.029 5.407 0.000) 6.198 8.979 ( -4.803 -5.091 0.000) 6.999 8.992 ( -2.555 -1.294 0.000) 2.864 9.073 ( -3.653 -1.319 0.000) 3.884 9.210 ( 3.241 0.437 0.000) 3.270 9.223 ( -2.703 -4.102 0.000) 4.912 9.223 ( -0.536 -13.422 0.000) 13.433 9.332 ( -0.363 -3.666 0.000) 3.683 9.411 ( -1.188 -0.730 0.000) 1.395 9.552 ( 13.932 2.767 0.000) 14.204 9.728 ( 2.316 -4.057 0.000) 4.671 9.863 ( 3.059 -5.890 0.000) 6.637 9.870 ( 3.230 -4.601 0.000) 5.621 9.933 ( 4.762 3.896 0.000) 6.153 10.045 ( 6.407 0.885 0.000) 6.468 10.166 ( 0.945 0.539 0.000) 1.087 10.223 ( -6.924 2.989 0.000) 7.542 10.293 ( -2.095 5.341 0.000) 5.737 10.345 ( 2.065 -2.747 0.000) 3.436 10.418 ( 2.446 2.155 0.000) 3.260 10.599 ( -2.485 -5.162 0.000) 5.729 10.645 ( -3.527 -6.462 0.000) 7.362 10.661 ( 0.650 -7.238 0.000) 7.267 10.781 ( -0.433 -8.245 0.000) 8.256 10.793 ( -6.129 -7.299 0.000) 9.530 10.861 ( -4.458 0.958 0.000) 4.559 10.892 ( -4.069 -1.621 0.000) 4.380 11.012 ( 2.457 5.771 0.000) 6.272 11.108 ( 3.035 -4.035 0.000) 5.050 11.173 ( 0.228 -3.616 0.000) 3.623 11.297 ( 3.086 -3.430 0.000) 4.614 11.368 ( -3.260 0.423 0.000) 3.287 11.426 ( 1.901 -0.906 0.000) 2.106 11.613 ( -5.776 10.085 0.000) 11.622 11.617 ( 11.395 3.304 0.000) 11.865 11.988 ( -10.594 10.943 0.000) 15.231 12.223 ( 9.617 -2.312 0.000) 9.891 12.410 ( -0.911 -8.586 0.000) 8.634 12.537 ( -4.005 -10.456 0.000) 11.196 12.617 ( 0.592 -7.544 0.000) 7.567 12.685 ( -14.358 -4.604 0.000) 15.078 13.027 ( 9.675 2.195 0.000) 9.921 13.151 ( 8.329 -6.651 0.000) 10.658 13.479 ( 2.262 2.254 0.000) 3.193 13.668 ( 12.475 8.238 0.000) 14.949 13.680 ( 1.809 5.827 0.000) 6.101 13.806 ( -7.850 -0.576 0.000) 7.871 14.010 ( 5.850 -6.948 0.000) 9.083 14.101 ( -12.223 -1.574 0.000) 12.324 14.280 ( 2.893 1.756 0.000) 3.384 14.373 ( 2.213 -3.321 0.000) 3.991 14.639 ( -3.971 11.683 0.000) 12.339 14.973 ( -9.911 -5.276 0.000) 11.227 18.525 ( 3.458 3.640 0.000) 5.021 18.651 ( 4.296 4.641 0.000) 6.324 18.713 ( -1.471 -4.696 0.000) 4.921 18.842 ( -0.869 -3.274 0.000) 3.388 19.009 ( -0.185 0.056 0.000) 0.193 19.021 ( -0.943 -0.957 0.000) 1.344 19.231 ( 2.276 0.820 0.000) 2.419 19.257 ( -1.270 7.838 0.000) 7.940 19.287 ( 0.817 7.739 0.000) 7.782 19.293 ( 1.919 -3.350 0.000) 3.860 19.683 ( -3.997 -12.303 0.000) 12.936 19.748 ( -4.607 -11.415 0.000) 12.310 20.832 ( 1.820 0.790 0.000) 1.984 20.882 ( 0.565 -1.807 0.000) 1.893 21.017 ( -0.160 -0.172 0.000) 0.234 21.044 ( -0.701 -1.397 0.000) 1.563 ======================= Grid point 17 (12/45) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 4.070 1.354 0.000) 4.290 2.191 ( -0.821 -3.662 0.000) 3.752 2.777 ( 16.135 16.557 0.000) 23.119 2.784 ( 8.195 9.475 0.000) 12.527 2.836 ( -2.938 5.508 0.000) 6.242 2.861 ( -5.689 4.508 0.000) 7.259 3.007 ( -0.523 5.034 0.000) 5.061 3.020 ( -7.848 4.636 0.000) 9.115 3.242 ( -0.438 -1.509 0.000) 1.571 3.290 ( -1.973 13.225 0.000) 13.371 3.325 ( -3.368 1.943 0.000) 3.889 3.327 ( -3.067 11.882 0.000) 12.271 3.349 ( -3.436 12.076 0.000) 12.555 3.456 ( -14.609 12.134 0.000) 18.991 3.707 ( 1.044 0.427 0.000) 1.128 3.709 ( 1.635 9.706 0.000) 9.843 3.895 ( 0.998 -2.778 0.000) 2.952 3.897 ( 0.365 2.060 0.000) 2.092 4.071 ( 0.914 1.415 0.000) 1.685 4.133 ( -9.140 10.274 0.000) 13.752 4.213 ( 3.347 21.830 0.000) 22.085 4.258 ( 8.604 13.861 0.000) 16.314 4.288 ( -2.415 7.799 0.000) 8.164 4.342 ( -0.131 12.709 0.000) 12.710 4.488 ( 5.689 3.925 0.000) 6.912 4.490 ( 5.943 1.104 0.000) 6.044 4.553 ( 2.691 1.660 0.000) 3.162 4.553 ( -1.376 11.045 0.000) 11.131 4.614 ( 6.350 6.088 0.000) 8.797 4.655 ( 2.146 3.319 0.000) 3.953 4.778 ( -9.074 4.505 0.000) 10.131 4.785 ( -11.660 6.170 0.000) 13.192 4.931 ( 3.411 1.201 0.000) 3.616 4.939 ( 8.468 8.273 0.000) 11.839 4.968 ( 4.799 -4.564 0.000) 6.623 4.996 ( -0.229 -2.396 0.000) 2.407 5.075 ( 10.880 1.935 0.000) 11.051 5.150 ( 1.510 13.842 0.000) 13.924 5.240 ( -1.769 6.883 0.000) 7.107 5.274 ( -0.550 2.458 0.000) 2.519 5.302 ( -4.523 5.016 0.000) 6.754 5.359 ( -13.890 -0.134 0.000) 13.891 5.451 ( 5.960 6.414 0.000) 8.755 5.489 ( -1.791 5.648 0.000) 5.925 5.519 ( 0.877 5.374 0.000) 5.445 5.582 ( 9.260 -4.310 0.000) 10.213 5.627 ( 3.795 3.507 0.000) 5.167 5.685 ( -8.411 1.092 0.000) 8.482 5.778 ( 0.866 9.518 0.000) 9.558 5.825 ( -1.599 1.670 0.000) 2.312 5.906 ( 13.610 7.754 0.000) 15.664 5.976 ( 6.297 1.921 0.000) 6.584 6.034 ( 0.348 -0.612 0.000) 0.704 6.039 ( 4.732 -2.290 0.000) 5.257 6.132 ( 5.633 -2.274 0.000) 6.074 6.154 ( -1.111 2.251 0.000) 2.510 6.233 ( -7.859 -4.020 0.000) 8.827 6.304 ( -9.605 -0.370 0.000) 9.613 6.440 ( -5.425 -2.393 0.000) 5.930 6.445 ( -0.392 -0.241 0.000) 0.460 6.527 ( 5.788 -4.536 0.000) 7.354 6.680 ( 3.406 3.350 0.000) 4.778 6.709 ( -7.275 4.057 0.000) 8.330 6.745 ( -1.577 0.259 0.000) 1.598 6.773 ( 0.511 -0.607 0.000) 0.794 6.829 ( -3.858 -2.274 0.000) 4.478 6.907 ( -1.953 -6.414 0.000) 6.705 6.921 ( -0.239 0.400 0.000) 0.466 7.008 ( -4.116 -2.461 0.000) 4.796 7.021 ( -1.841 -7.502 0.000) 7.725 7.123 ( 1.808 -17.009 0.000) 17.105 7.202 ( -5.190 -15.957 0.000) 16.780 7.216 ( 4.057 5.402 0.000) 6.756 7.326 ( 1.518 4.799 0.000) 5.033 7.386 ( 1.995 -2.102 0.000) 2.898 7.448 ( -2.141 -6.814 0.000) 7.142 7.450 ( -8.768 2.166 0.000) 9.031 7.502 ( -2.503 -4.708 0.000) 5.332 7.573 ( -5.756 -1.995 0.000) 6.092 7.604 ( -3.803 -8.896 0.000) 9.675 7.648 ( 6.947 3.333 0.000) 7.706 7.748 ( -4.000 1.468 0.000) 4.261 7.789 ( 4.256 -5.493 0.000) 6.949 7.901 ( -1.738 -0.371 0.000) 1.778 7.947 ( 0.416 -1.710 0.000) 1.760 8.031 ( -0.982 -2.961 0.000) 3.119 8.134 ( 4.716 -5.740 0.000) 7.429 8.218 ( -4.943 -10.875 0.000) 11.946 8.250 ( 1.691 -11.725 0.000) 11.846 8.315 ( -0.605 1.663 0.000) 1.770 8.368 ( -0.651 1.367 0.000) 1.514 8.413 ( -1.063 4.804 0.000) 4.921 8.566 ( 6.697 5.456 0.000) 8.638 8.602 ( 1.252 2.971 0.000) 3.224 8.648 ( 4.138 2.714 0.000) 4.949 8.698 ( 2.327 2.416 0.000) 3.355 8.763 ( 2.135 5.300 0.000) 5.714 8.828 ( -4.967 5.322 0.000) 7.280 8.881 ( -0.282 -5.638 0.000) 5.645 8.906 ( -3.022 -5.044 0.000) 5.880 8.974 ( 0.786 -2.064 0.000) 2.209 8.983 ( 1.633 -2.725 0.000) 3.177 9.070 ( 5.724 -1.942 0.000) 6.045 9.162 ( -0.741 -9.315 0.000) 9.344 9.192 ( -1.568 -3.993 0.000) 4.290 9.240 ( -7.899 -4.082 0.000) 8.892 9.346 ( 4.166 -5.261 0.000) 6.711 9.379 ( -0.967 -6.994 0.000) 7.061 9.786 ( 4.756 -0.852 0.000) 4.831 9.786 ( 7.592 -0.089 0.000) 7.592 9.916 ( 2.102 -2.675 0.000) 3.402 9.927 ( 2.456 -6.393 0.000) 6.849 10.020 ( -4.364 1.547 0.000) 4.631 10.029 ( 0.214 5.699 0.000) 5.703 10.111 ( 0.079 3.218 0.000) 3.219 10.194 ( -3.259 6.246 0.000) 7.045 10.368 ( 10.018 -3.336 0.000) 10.559 10.394 ( 2.991 -2.999 0.000) 4.235 10.439 ( -0.839 -1.905 0.000) 2.082 10.534 ( -7.247 -6.680 0.000) 9.856 10.569 ( 0.841 -4.411 0.000) 4.490 10.640 ( -5.050 -3.749 0.000) 6.290 10.733 ( 1.249 -5.779 0.000) 5.912 10.763 ( -1.298 -5.906 0.000) 6.047 10.794 ( -1.784 1.650 0.000) 2.430 10.815 ( -3.610 -0.901 0.000) 3.720 11.072 ( 3.855 4.611 0.000) 6.010 11.143 ( -3.373 -0.345 0.000) 3.391 11.198 ( 6.245 1.926 0.000) 6.535 11.306 ( -4.206 2.497 0.000) 4.891 11.358 ( 3.841 -4.466 0.000) 5.890 11.432 ( -2.810 -9.657 0.000) 10.057 11.557 ( 1.858 12.042 0.000) 12.185 11.660 ( -7.453 10.492 0.000) 12.870 12.016 ( 14.851 -8.147 0.000) 16.939 12.316 ( -13.510 -11.615 0.000) 17.816 12.393 ( 6.316 -1.048 0.000) 6.403 12.463 ( -3.470 -8.206 0.000) 8.909 12.482 ( -0.618 -4.014 0.000) 4.061 12.570 ( -5.237 -1.294 0.000) 5.395 13.221 ( 9.546 4.244 0.000) 10.447 13.294 ( 4.109 1.103 0.000) 4.255 13.564 ( 6.021 -3.022 0.000) 6.737 13.656 ( -1.973 5.986 0.000) 6.303 13.691 ( -3.345 -4.777 0.000) 5.832 13.816 ( -10.259 1.727 0.000) 10.403 13.965 ( 11.122 5.709 0.000) 12.502 14.128 ( 1.212 -1.016 0.000) 1.582 14.289 ( 0.374 -0.741 0.000) 0.830 14.364 ( -3.402 -3.637 0.000) 4.980 14.612 ( 3.262 6.206 0.000) 7.012 14.760 ( -11.330 -0.525 0.000) 11.342 18.598 ( 4.087 1.020 0.000) 4.213 18.669 ( -3.269 -1.998 0.000) 3.831 18.744 ( 4.831 1.176 0.000) 4.973 18.812 ( -2.462 -1.679 0.000) 2.980 19.009 ( 0.262 -0.144 0.000) 0.299 19.013 ( -0.103 -0.420 0.000) 0.433 19.224 ( -1.073 8.292 0.000) 8.361 19.226 ( -1.344 7.568 0.000) 7.687 19.346 ( 2.852 -3.479 0.000) 4.498 19.350 ( 3.190 -2.714 0.000) 4.188 19.611 ( -2.195 -10.469 0.000) 10.697 19.647 ( -5.193 -10.059 0.000) 11.321 20.868 ( 1.765 0.000 0.000) 1.765 20.888 ( -0.246 -0.982 0.000) 1.012 21.017 ( 0.266 -0.516 0.000) 0.580 21.028 ( -0.892 -1.044 0.000) 1.373 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.000 -0.097 0.000) 0.097 2.083 ( 0.000 0.097 0.000) 0.097 2.693 ( 0.000 -11.452 0.000) 11.452 2.693 ( 0.000 11.452 0.000) 11.452 2.939 ( 0.000 -12.868 0.000) 12.868 2.939 ( 0.000 12.868 0.000) 12.868 3.186 ( 0.000 -5.223 0.000) 5.223 3.186 ( 0.000 5.223 0.000) 5.223 3.537 ( 0.000 -7.696 0.000) 7.696 3.537 ( 0.000 7.696 0.000) 7.696 3.544 ( 0.000 -3.064 0.000) 3.064 3.544 ( 0.000 3.064 0.000) 3.064 3.700 ( 0.000 -8.115 0.000) 8.115 3.700 ( 0.000 8.115 0.000) 8.115 3.889 ( 0.000 -18.264 0.000) 18.264 3.889 ( 0.000 18.264 0.000) 18.264 3.942 ( 0.000 -7.684 0.000) 7.684 3.942 ( 0.000 7.684 0.000) 7.684 4.018 ( 0.000 -9.647 0.000) 9.647 4.018 ( 0.000 9.647 0.000) 9.647 4.109 ( 0.000 -5.732 0.000) 5.732 4.109 ( 0.000 5.732 0.000) 5.732 4.246 ( 0.000 -0.458 0.000) 0.458 4.246 ( 0.000 0.458 0.000) 0.458 4.471 ( 0.000 -7.667 0.000) 7.667 4.471 ( 0.000 7.667 0.000) 7.667 4.638 ( 0.000 -3.856 0.000) 3.856 4.638 ( 0.000 3.856 0.000) 3.856 4.709 ( 0.000 -8.472 0.000) 8.472 4.709 ( 0.000 8.472 0.000) 8.472 4.767 ( 0.000 -2.369 0.000) 2.369 4.767 ( 0.000 2.369 0.000) 2.369 4.974 ( 0.000 -5.074 0.000) 5.074 4.974 ( 0.000 5.074 0.000) 5.074 4.988 ( 0.000 -8.068 0.000) 8.068 4.988 ( 0.000 8.068 0.000) 8.068 5.194 ( 0.000 -9.925 0.000) 9.925 5.194 ( 0.000 9.925 0.000) 9.925 5.230 ( 0.000 -4.802 0.000) 4.802 5.230 ( 0.000 4.802 0.000) 4.802 5.351 ( 0.000 -0.063 0.000) 0.063 5.351 ( 0.000 0.063 0.000) 0.063 5.456 ( 0.000 -12.974 0.000) 12.974 5.456 ( 0.000 12.974 0.000) 12.974 5.546 ( 0.000 -20.430 0.000) 20.430 5.546 ( 0.000 20.430 0.000) 20.430 5.671 ( 0.000 -0.478 0.000) 0.478 5.671 ( 0.000 0.478 0.000) 0.478 5.800 ( 0.000 -6.911 0.000) 6.911 5.800 ( 0.000 6.911 0.000) 6.911 5.822 ( 0.000 -12.812 0.000) 12.812 5.822 ( 0.000 12.812 0.000) 12.812 6.158 ( 0.000 -20.028 0.000) 20.028 6.158 ( 0.000 20.028 0.000) 20.028 6.229 ( 0.000 -20.318 0.000) 20.318 6.229 ( 0.000 20.318 0.000) 20.318 6.278 ( 0.000 -20.456 0.000) 20.456 6.278 ( 0.000 20.456 0.000) 20.456 6.459 ( 0.000 -19.008 0.000) 19.008 6.459 ( 0.000 19.008 0.000) 19.008 6.668 ( 0.000 -9.068 0.000) 9.068 6.668 ( 0.000 9.068 0.000) 9.068 6.787 ( 0.000 -12.775 0.000) 12.775 6.787 ( 0.000 12.775 0.000) 12.775 6.804 ( 0.000 -15.986 0.000) 15.986 6.804 ( 0.000 15.986 0.000) 15.986 6.913 ( 0.000 -10.754 0.000) 10.754 6.913 ( 0.000 10.754 0.000) 10.754 6.934 ( 0.000 -10.021 0.000) 10.021 6.934 ( 0.000 10.021 0.000) 10.021 7.136 ( 0.000 -5.159 0.000) 5.159 7.136 ( 0.000 5.159 0.000) 5.159 7.322 ( 0.000 -8.970 0.000) 8.970 7.322 ( 0.000 8.970 0.000) 8.970 7.353 ( 0.000 -1.193 0.000) 1.193 7.353 ( 0.000 1.193 0.000) 1.193 7.562 ( 0.000 -11.863 0.000) 11.863 7.562 ( 0.000 11.863 0.000) 11.863 7.657 ( 0.000 -5.785 0.000) 5.785 7.657 ( 0.000 5.785 0.000) 5.785 7.690 ( 0.000 -4.131 0.000) 4.131 7.690 ( 0.000 4.131 0.000) 4.131 7.712 ( 0.000 -15.004 0.000) 15.004 7.712 ( 0.000 15.004 0.000) 15.004 8.054 ( 0.000 -5.590 0.000) 5.590 8.054 ( 0.000 5.590 0.000) 5.590 8.153 ( 0.000 -1.923 0.000) 1.923 8.153 ( 0.000 1.923 0.000) 1.923 8.335 ( 0.000 -0.973 0.000) 0.973 8.335 ( 0.000 0.973 0.000) 0.973 8.342 ( 0.000 -7.272 0.000) 7.272 8.342 ( 0.000 7.272 0.000) 7.272 8.393 ( 0.000 -5.204 0.000) 5.204 8.393 ( 0.000 5.204 0.000) 5.204 8.609 ( 0.000 -8.255 0.000) 8.255 8.609 ( 0.000 8.255 0.000) 8.255 8.806 ( 0.000 -7.028 0.000) 7.028 8.806 ( 0.000 7.028 0.000) 7.028 8.859 ( 0.000 -6.603 0.000) 6.603 8.859 ( 0.000 6.603 0.000) 6.603 9.042 ( 0.000 -7.251 0.000) 7.251 9.042 ( 0.000 7.251 0.000) 7.251 9.129 ( 0.000 -7.127 0.000) 7.127 9.129 ( 0.000 7.127 0.000) 7.127 9.265 ( 0.000 -5.763 0.000) 5.763 9.265 ( 0.000 5.763 0.000) 5.763 9.267 ( 0.000 -1.930 0.000) 1.930 9.267 ( 0.000 1.930 0.000) 1.930 9.583 ( 0.000 -7.353 0.000) 7.353 9.583 ( 0.000 7.353 0.000) 7.353 9.768 ( 0.000 -0.030 0.000) 0.030 9.768 ( 0.000 0.030 0.000) 0.030 9.942 ( 0.000 -1.129 0.000) 1.129 9.942 ( 0.000 1.129 0.000) 1.129 10.208 ( 0.000 -4.063 0.000) 4.063 10.208 ( 0.000 4.063 0.000) 4.063 10.409 ( 0.000 -1.414 0.000) 1.414 10.409 ( 0.000 1.414 0.000) 1.414 10.514 ( 0.000 -6.857 0.000) 6.857 10.514 ( 0.000 6.857 0.000) 6.857 10.594 ( 0.000 -0.291 0.000) 0.291 10.594 ( 0.000 0.291 0.000) 0.291 10.677 ( 0.000 -3.814 0.000) 3.814 10.677 ( 0.000 3.814 0.000) 3.814 10.969 ( 0.000 -4.504 0.000) 4.504 10.969 ( 0.000 4.504 0.000) 4.504 11.054 ( 0.000 -11.354 0.000) 11.354 11.054 ( 0.000 11.354 0.000) 11.354 11.098 ( 0.000 -6.357 0.000) 6.357 11.098 ( 0.000 6.357 0.000) 6.357 11.316 ( 0.000 -4.457 0.000) 4.457 11.316 ( 0.000 4.457 0.000) 4.457 11.861 ( 0.000 -17.469 0.000) 17.469 11.861 ( 0.000 17.469 0.000) 17.469 12.144 ( 0.000 -24.581 0.000) 24.581 12.144 ( 0.000 24.581 0.000) 24.581 12.398 ( 0.000 -3.825 0.000) 3.825 12.398 ( 0.000 3.825 0.000) 3.825 12.602 ( 0.000 -22.093 0.000) 22.093 12.602 ( 0.000 22.093 0.000) 22.093 12.918 ( 0.000 -1.353 0.000) 1.353 12.918 ( 0.000 1.353 0.000) 1.353 13.609 ( 0.000 -4.631 0.000) 4.631 13.609 ( 0.000 4.631 0.000) 4.631 13.711 ( 0.000 -10.487 0.000) 10.487 13.711 ( 0.000 10.487 0.000) 10.487 14.114 ( 0.000 -9.488 0.000) 9.488 14.114 ( 0.000 9.488 0.000) 9.488 14.281 ( 0.000 -1.558 0.000) 1.558 14.281 ( 0.000 1.558 0.000) 1.558 14.905 ( 0.000 -9.248 0.000) 9.248 14.905 ( 0.000 9.248 0.000) 9.248 18.605 ( 0.000 -6.025 0.000) 6.025 18.605 ( 0.000 6.025 0.000) 6.025 18.738 ( 0.000 -6.346 0.000) 6.346 18.738 ( 0.000 6.346 0.000) 6.346 19.016 ( 0.000 -0.457 0.000) 0.457 19.016 ( 0.000 0.457 0.000) 0.457 19.206 ( 0.000 -2.497 0.000) 2.497 19.206 ( 0.000 2.497 0.000) 2.497 19.473 ( 0.000 -11.208 0.000) 11.208 19.473 ( 0.000 11.208 0.000) 11.208 19.541 ( 0.000 -12.427 0.000) 12.427 19.541 ( 0.000 12.427 0.000) 12.427 20.839 ( 0.000 -1.504 0.000) 1.504 20.839 ( 0.000 1.504 0.000) 1.504 21.026 ( 0.000 -0.844 0.000) 0.844 21.026 ( 0.000 0.844 0.000) 0.844 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 2.348 -0.297 0.000) 2.367 2.113 ( 2.348 0.297 0.000) 2.367 2.785 ( 8.716 -6.705 0.000) 10.997 2.785 ( 8.716 6.705 0.000) 10.997 2.957 ( -0.349 -5.890 0.000) 5.900 2.957 ( -0.349 5.890 0.000) 5.900 3.131 ( -1.553 -0.776 0.000) 1.737 3.131 ( -1.553 0.776 0.000) 1.737 3.270 ( -14.182 -0.024 0.000) 14.182 3.270 ( -14.182 0.024 0.000) 14.182 3.558 ( -4.362 -0.144 0.000) 4.364 3.558 ( -4.362 0.144 0.000) 4.364 3.617 ( -6.566 -1.569 0.000) 6.751 3.617 ( -6.566 1.569 0.000) 6.751 3.918 ( 0.583 -4.765 0.000) 4.800 3.918 ( 0.583 4.765 0.000) 4.800 3.984 ( -8.278 -1.170 0.000) 8.361 3.984 ( -8.278 1.170 0.000) 8.361 4.083 ( 2.813 -6.561 0.000) 7.139 4.083 ( 2.813 6.561 0.000) 7.139 4.183 ( 16.284 -4.945 0.000) 17.019 4.183 ( 16.284 4.945 0.000) 17.019 4.300 ( 4.395 -2.917 0.000) 5.275 4.300 ( 4.395 2.917 0.000) 5.275 4.521 ( -3.674 -0.031 0.000) 3.674 4.521 ( -3.674 0.031 0.000) 3.674 4.553 ( 7.968 -2.448 0.000) 8.336 4.553 ( 7.968 2.448 0.000) 8.336 4.705 ( -0.832 -0.237 0.000) 0.865 4.705 ( -0.832 0.237 0.000) 0.865 4.798 ( -1.522 -3.624 0.000) 3.931 4.798 ( -1.522 3.624 0.000) 3.931 4.919 ( 0.146 -0.016 0.000) 0.147 4.919 ( 0.146 0.016 0.000) 0.147 5.100 ( -1.094 -4.833 0.000) 4.956 5.100 ( -1.094 4.833 0.000) 4.956 5.148 ( -1.412 -1.323 0.000) 1.935 5.148 ( -1.412 1.323 0.000) 1.935 5.260 ( 4.959 -4.094 0.000) 6.430 5.260 ( 4.959 4.094 0.000) 6.430 5.393 ( 3.900 -6.023 0.000) 7.175 5.393 ( 3.900 6.023 0.000) 7.175 5.476 ( 1.696 -1.188 0.000) 2.071 5.476 ( 1.696 1.188 0.000) 2.071 5.604 ( 3.319 -4.911 0.000) 5.928 5.604 ( 3.319 4.911 0.000) 5.928 5.675 ( -3.285 -7.826 0.000) 8.487 5.675 ( -3.285 7.826 0.000) 8.487 5.774 ( 8.641 -2.226 0.000) 8.923 5.774 ( 8.641 2.226 0.000) 8.923 5.944 ( 6.376 -1.283 0.000) 6.504 5.944 ( 6.376 1.283 0.000) 6.504 6.039 ( -7.470 -2.044 0.000) 7.745 6.039 ( -7.470 2.044 0.000) 7.745 6.243 ( -1.230 -13.387 0.000) 13.443 6.243 ( -1.230 13.387 0.000) 13.443 6.304 ( 1.496 -2.353 0.000) 2.788 6.304 ( 1.496 2.353 0.000) 2.788 6.464 ( -1.101 -18.341 0.000) 18.374 6.464 ( -1.101 18.341 0.000) 18.374 6.529 ( -10.148 -3.306 0.000) 10.673 6.529 ( -10.148 3.306 0.000) 10.673 6.746 ( -3.776 -7.266 0.000) 8.188 6.746 ( -3.776 7.266 0.000) 8.188 6.788 ( 0.264 -6.220 0.000) 6.226 6.788 ( 0.264 6.220 0.000) 6.226 6.886 ( 0.026 -3.930 0.000) 3.930 6.886 ( 0.026 3.930 0.000) 3.930 6.972 ( -2.113 -0.738 0.000) 2.239 6.972 ( -2.113 0.738 0.000) 2.239 7.083 ( -0.803 -1.349 0.000) 1.570 7.083 ( -0.803 1.349 0.000) 1.570 7.324 ( -1.355 -1.428 0.000) 1.969 7.324 ( -1.355 1.428 0.000) 1.969 7.419 ( 2.686 -7.325 0.000) 7.802 7.419 ( 2.686 7.325 0.000) 7.802 7.542 ( -4.063 -0.001 0.000) 4.063 7.542 ( -4.063 0.001 0.000) 4.063 7.623 ( -6.931 -14.115 0.000) 15.725 7.623 ( -6.931 14.115 0.000) 15.725 7.649 ( 2.402 -5.557 0.000) 6.054 7.649 ( 2.402 5.557 0.000) 6.054 7.774 ( 4.174 -3.160 0.000) 5.235 7.774 ( 4.174 3.160 0.000) 5.235 8.038 ( -2.068 -1.879 0.000) 2.794 8.038 ( -2.068 1.879 0.000) 2.794 8.093 ( -5.540 -6.606 0.000) 8.621 8.093 ( -5.540 6.606 0.000) 8.621 8.212 ( -3.452 -6.172 0.000) 7.072 8.212 ( -3.452 6.172 0.000) 7.072 8.392 ( 5.000 -0.582 0.000) 5.034 8.392 ( 5.000 0.582 0.000) 5.034 8.509 ( 6.366 -0.244 0.000) 6.370 8.509 ( 6.366 0.244 0.000) 6.370 8.685 ( 5.807 -6.721 0.000) 8.883 8.685 ( 5.807 6.721 0.000) 8.883 8.778 ( -1.304 -1.152 0.000) 1.741 8.778 ( -1.304 1.152 0.000) 1.741 8.880 ( 0.846 -2.434 0.000) 2.577 8.880 ( 0.846 2.434 0.000) 2.577 9.021 ( -2.137 -4.547 0.000) 5.024 9.021 ( -2.137 4.547 0.000) 5.024 9.066 ( -3.978 -5.080 0.000) 6.453 9.066 ( -3.978 5.080 0.000) 6.453 9.175 ( -4.043 -2.866 0.000) 4.956 9.175 ( -4.043 2.866 0.000) 4.956 9.349 ( 1.513 -3.546 0.000) 3.856 9.349 ( 1.513 3.546 0.000) 3.856 9.644 ( 5.726 -3.669 0.000) 6.801 9.644 ( 5.726 3.669 0.000) 6.801 9.805 ( 3.613 -0.486 0.000) 3.645 9.805 ( 3.613 0.487 0.000) 3.645 10.023 ( 7.578 -2.830 0.000) 8.089 10.023 ( 7.578 2.830 0.000) 8.089 10.199 ( -1.637 -1.034 0.000) 1.936 10.199 ( -1.637 1.034 0.000) 1.936 10.373 ( -2.469 -1.356 0.000) 2.817 10.373 ( -2.469 1.356 0.000) 2.817 10.492 ( -2.696 -6.410 0.000) 6.954 10.492 ( -2.696 6.410 0.000) 6.954 10.580 ( -1.438 -4.038 0.000) 4.286 10.580 ( -1.438 4.038 0.000) 4.286 10.672 ( 0.042 -0.158 0.000) 0.163 10.672 ( 0.042 0.158 0.000) 0.163 10.896 ( -5.269 -1.060 0.000) 5.375 10.896 ( -5.269 1.060 0.000) 5.375 11.089 ( 3.135 -1.302 0.000) 3.395 11.089 ( 3.135 1.302 0.000) 3.395 11.188 ( 6.658 -8.067 0.000) 10.460 11.188 ( 6.658 8.067 0.000) 10.460 11.315 ( -0.182 -3.701 0.000) 3.706 11.315 ( -0.182 3.701 0.000) 3.706 11.800 ( -3.810 -1.071 0.000) 3.957 11.800 ( -3.810 1.071 0.000) 3.957 12.146 ( -2.965 -0.137 0.000) 2.969 12.146 ( -2.965 0.137 0.000) 2.969 12.407 ( 0.034 -5.283 0.000) 5.283 12.407 ( 0.034 5.283 0.000) 5.283 12.495 ( -5.318 -7.828 0.000) 9.463 12.495 ( -5.318 7.828 0.000) 9.463 13.065 ( 11.913 -0.751 0.000) 11.936 13.065 ( 11.913 0.751 0.000) 11.936 13.593 ( -1.229 -4.948 0.000) 5.098 13.593 ( -1.229 4.948 0.000) 5.098 13.812 ( 9.003 -2.667 0.000) 9.390 13.812 ( 9.003 2.667 0.000) 9.390 14.005 ( -8.451 -2.624 0.000) 8.849 14.005 ( -8.451 2.624 0.000) 8.849 14.325 ( 2.175 -0.438 0.000) 2.219 14.325 ( 2.175 0.438 0.000) 2.219 14.839 ( -6.455 -7.934 0.000) 10.228 14.839 ( -6.455 7.934 0.000) 10.228 18.614 ( 0.898 -4.691 0.000) 4.777 18.614 ( 0.898 4.691 0.000) 4.777 18.753 ( 1.314 -5.018 0.000) 5.187 18.753 ( 1.314 5.018 0.000) 5.187 19.010 ( -0.376 -0.028 0.000) 0.378 19.010 ( -0.376 0.028 0.000) 0.378 19.236 ( 2.970 -0.775 0.000) 3.069 19.236 ( 2.970 0.775 0.000) 3.069 19.447 ( -2.469 -10.488 0.000) 10.775 19.447 ( -2.469 10.488 0.000) 10.775 19.510 ( -3.122 -11.303 0.000) 11.726 19.510 ( -3.122 11.303 0.000) 11.726 20.851 ( 1.187 -1.210 0.000) 1.695 20.851 ( 1.187 1.210 0.000) 1.695 21.022 ( -0.420 -0.693 0.000) 0.811 21.022 ( -0.420 0.693 0.000) 0.811 ======================= Grid point 24 (15/45) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.521 -0.267 0.000) 0.585 2.141 ( 0.521 0.267 0.000) 0.585 2.886 ( -3.576 -0.521 0.000) 3.614 2.886 ( -3.576 0.521 0.000) 3.614 2.934 ( 4.771 -0.217 0.000) 4.776 2.934 ( 4.771 0.217 0.000) 4.776 3.070 ( -5.115 -0.348 0.000) 5.127 3.070 ( -5.115 0.348 0.000) 5.127 3.272 ( 11.454 -4.293 0.000) 12.232 3.272 ( 11.454 4.293 0.000) 12.232 3.481 ( -2.835 -0.840 0.000) 2.957 3.481 ( -2.835 0.840 0.000) 2.957 3.521 ( -3.689 -2.581 0.000) 4.502 3.521 ( -3.689 2.581 0.000) 4.502 3.780 ( -10.120 -0.328 0.000) 10.126 3.780 ( -10.120 0.328 0.000) 10.126 3.873 ( -3.782 -4.013 0.000) 5.514 3.873 ( -3.782 4.013 0.000) 5.514 4.076 ( -1.148 -2.347 0.000) 2.613 4.076 ( -1.148 2.347 0.000) 2.613 4.378 ( 2.416 -0.986 0.000) 2.610 4.378 ( 2.416 0.986 0.000) 2.610 4.508 ( 0.617 -2.772 0.000) 2.839 4.508 ( 0.617 2.772 0.000) 2.839 4.525 ( 17.648 -1.534 0.000) 17.715 4.525 ( 17.648 1.534 0.000) 17.715 4.643 ( -0.709 -1.416 0.000) 1.584 4.643 ( -0.709 1.416 0.000) 1.584 4.703 ( 2.897 -3.124 0.000) 4.260 4.703 ( 2.897 3.124 0.000) 4.260 4.795 ( -4.484 -4.969 0.000) 6.693 4.795 ( -4.484 4.969 0.000) 6.693 4.928 ( -2.346 -3.704 0.000) 4.384 4.928 ( -2.346 3.704 0.000) 4.384 4.993 ( 2.306 -1.727 0.000) 2.881 4.993 ( 2.306 1.727 0.000) 2.881 5.144 ( -3.717 -8.058 0.000) 8.875 5.144 ( -3.717 8.058 0.000) 8.875 5.339 ( 2.920 -3.447 0.000) 4.518 5.339 ( 2.920 3.447 0.000) 4.518 5.456 ( 2.310 -7.848 0.000) 8.181 5.456 ( 2.310 7.848 0.000) 8.181 5.513 ( -3.736 -4.528 0.000) 5.871 5.513 ( -3.736 4.528 0.000) 5.871 5.564 ( 4.924 -0.533 0.000) 4.953 5.564 ( 4.924 0.533 0.000) 4.953 5.670 ( -5.297 -1.489 0.000) 5.503 5.670 ( -5.297 1.489 0.000) 5.503 5.919 ( 6.353 -0.906 0.000) 6.418 5.919 ( 6.353 0.906 0.000) 6.418 5.976 ( -0.108 -1.715 0.000) 1.718 5.976 ( -0.108 1.715 0.000) 1.718 6.074 ( 3.952 -0.027 0.000) 3.952 6.074 ( 3.952 0.027 0.000) 3.952 6.166 ( -4.026 -0.590 0.000) 4.069 6.166 ( -4.026 0.590 0.000) 4.069 6.304 ( -0.703 -1.806 0.000) 1.938 6.304 ( -0.703 1.806 0.000) 1.938 6.389 ( -2.344 -0.954 0.000) 2.530 6.389 ( -2.344 0.954 0.000) 2.530 6.525 ( 7.838 -10.317 0.000) 12.956 6.525 ( 7.838 10.317 0.000) 12.956 6.691 ( -3.173 -4.608 0.000) 5.595 6.691 ( -3.173 4.608 0.000) 5.595 6.780 ( -3.310 -0.047 0.000) 3.310 6.780 ( -3.310 0.047 0.000) 3.310 6.893 ( 0.002 -0.126 0.000) 0.126 6.893 ( 0.002 0.126 0.000) 0.126 6.935 ( 0.902 -4.242 0.000) 4.337 6.935 ( 0.902 4.242 0.000) 4.337 7.057 ( -2.227 -6.017 0.000) 6.416 7.057 ( -2.227 6.017 0.000) 6.416 7.261 ( -4.645 -11.159 0.000) 12.087 7.261 ( -4.645 11.159 0.000) 12.087 7.372 ( -3.593 -3.913 0.000) 5.312 7.372 ( -3.593 3.913 0.000) 5.312 7.417 ( -6.254 -0.007 0.000) 6.254 7.417 ( -6.254 0.007 0.000) 6.254 7.616 ( 5.203 -8.752 0.000) 10.181 7.616 ( 5.203 8.752 0.000) 10.181 7.685 ( -0.903 -4.492 0.000) 4.581 7.685 ( -0.903 4.492 0.000) 4.581 7.788 ( -1.861 -7.446 0.000) 7.675 7.788 ( -1.861 7.446 0.000) 7.675 7.980 ( -0.687 -1.533 0.000) 1.680 7.980 ( -0.687 1.533 0.000) 1.680 8.017 ( -2.883 -4.620 0.000) 5.446 8.017 ( -2.883 4.620 0.000) 5.446 8.295 ( 8.814 -5.408 0.000) 10.341 8.295 ( 8.814 5.408 0.000) 10.341 8.429 ( -3.097 -2.464 0.000) 3.957 8.429 ( -3.097 2.464 0.000) 3.957 8.624 ( 5.943 -0.947 0.000) 6.018 8.624 ( 5.943 0.947 0.000) 6.018 8.762 ( 0.732 -1.351 0.000) 1.537 8.762 ( 0.732 1.351 0.000) 1.537 8.775 ( 1.255 -0.566 0.000) 1.377 8.775 ( 1.255 0.566 0.000) 1.377 8.858 ( -3.361 -2.723 0.000) 4.326 8.858 ( -3.361 2.723 0.000) 4.326 8.960 ( -2.090 -0.021 0.000) 2.090 8.960 ( -2.090 0.021 0.000) 2.090 9.062 ( 3.255 -0.050 0.000) 3.255 9.062 ( 3.255 0.050 0.000) 3.255 9.158 ( 0.758 -1.200 0.000) 1.419 9.158 ( 0.758 1.200 0.000) 1.419 9.283 ( -5.801 -0.311 0.000) 5.810 9.283 ( -5.801 0.311 0.000) 5.810 9.786 ( 7.078 -0.032 0.000) 7.078 9.786 ( 7.078 0.032 0.000) 7.078 9.859 ( 1.648 -0.173 0.000) 1.657 9.859 ( 1.648 0.173 0.000) 1.657 10.080 ( -3.983 -0.397 0.000) 4.003 10.080 ( -3.983 0.397 0.000) 4.003 10.217 ( 5.428 -5.661 0.000) 7.843 10.217 ( 5.428 5.661 0.000) 7.843 10.352 ( 0.119 -1.457 0.000) 1.462 10.352 ( 0.119 1.457 0.000) 1.462 10.422 ( -4.174 -3.293 0.000) 5.317 10.422 ( -4.174 3.293 0.000) 5.317 10.555 ( -0.788 -2.938 0.000) 3.042 10.555 ( -0.788 2.938 0.000) 3.042 10.682 ( 0.604 -0.608 0.000) 0.857 10.682 ( 0.604 0.608 0.000) 0.857 10.817 ( -2.518 -0.375 0.000) 2.546 10.817 ( -2.518 0.375 0.000) 2.546 11.137 ( 1.517 -0.447 0.000) 1.581 11.137 ( 1.517 0.447 0.000) 1.581 11.286 ( 2.851 -4.473 0.000) 5.305 11.286 ( 2.851 4.473 0.000) 5.305 11.309 ( -0.322 -1.531 0.000) 1.565 11.309 ( -0.322 1.531 0.000) 1.565 11.808 ( 5.837 -7.482 0.000) 9.490 11.808 ( 5.837 7.482 0.000) 9.490 11.993 ( -11.453 -17.536 0.000) 20.945 11.993 ( -11.453 17.536 0.000) 20.945 12.367 ( -1.626 -0.088 0.000) 1.628 12.367 ( -1.626 0.088 0.000) 1.628 12.502 ( 1.965 -4.097 0.000) 4.544 12.502 ( 1.965 4.097 0.000) 4.544 13.281 ( 9.080 -0.695 0.000) 9.106 13.281 ( 9.080 0.695 0.000) 9.106 13.573 ( -0.703 -2.800 0.000) 2.887 13.573 ( -0.703 2.800 0.000) 2.887 13.787 ( -7.758 -2.186 0.000) 8.060 13.787 ( -7.758 2.186 0.000) 8.060 14.064 ( 10.637 -1.838 0.000) 10.795 14.064 ( 10.637 1.838 0.000) 10.795 14.312 ( -3.894 -0.500 0.000) 3.926 14.312 ( -3.894 0.500 0.000) 3.926 14.716 ( -4.714 -3.517 0.000) 5.881 14.716 ( -4.714 3.517 0.000) 5.881 18.630 ( 0.524 -1.720 0.000) 1.798 18.630 ( 0.524 1.720 0.000) 1.798 18.774 ( 0.696 -1.745 0.000) 1.879 18.774 ( 0.696 1.745 0.000) 1.879 19.010 ( 0.251 -0.010 0.000) 0.251 19.010 ( 0.251 0.010 0.000) 0.251 19.301 ( 3.211 -0.222 0.000) 3.219 19.301 ( 3.211 0.222 0.000) 3.219 19.402 ( -1.627 -9.098 0.000) 9.242 19.402 ( -1.627 9.098 0.000) 9.242 19.441 ( -3.518 -8.546 0.000) 9.242 19.441 ( -3.518 8.546 0.000) 9.242 20.872 ( 0.772 -0.454 0.000) 0.895 20.872 ( 0.772 0.454 0.000) 0.895 21.014 ( -0.323 -0.271 0.000) 0.422 21.014 ( -0.323 0.271 0.000) 0.422 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 0.000 38.041) 38.041 0.839 ( 0.000 0.000 43.369) 43.369 1.269 ( 0.000 0.000 63.107) 63.107 2.016 ( 0.000 0.000 -22.613) 22.613 2.223 ( 0.000 0.000 3.738) 3.738 2.379 ( 0.000 0.000 0.349) 0.349 2.429 ( 0.000 0.000 -37.363) 37.363 2.501 ( 0.000 0.000 14.083) 14.083 2.539 ( 0.000 0.000 -3.104) 3.104 2.594 ( 0.000 0.000 16.492) 16.492 2.733 ( 0.000 0.000 -5.367) 5.367 2.952 ( 0.000 0.000 -2.455) 2.455 3.233 ( 0.000 0.000 -3.700) 3.700 3.284 ( 0.000 0.000 -16.209) 16.209 3.307 ( 0.000 0.000 -3.143) 3.143 3.518 ( 0.000 0.000 -12.278) 12.278 3.534 ( 0.000 0.000 10.729) 10.729 3.592 ( 0.000 0.000 2.292) 2.292 3.664 ( 0.000 0.000 -4.303) 4.303 3.778 ( 0.000 0.000 -5.438) 5.438 3.812 ( 0.000 0.000 -3.685) 3.685 3.821 ( 0.000 0.000 0.939) 0.939 3.856 ( 0.000 0.000 18.620) 18.620 3.982 ( 0.000 0.000 -0.014) 0.014 4.041 ( 0.000 0.000 2.541) 2.541 4.080 ( 0.000 0.000 -13.356) 13.356 4.164 ( 0.000 0.000 17.267) 17.267 4.304 ( 0.000 0.000 -13.176) 13.176 4.316 ( 0.000 0.000 -8.512) 8.512 4.465 ( 0.000 0.000 1.214) 1.214 4.518 ( 0.000 0.000 1.146) 1.146 4.601 ( 0.000 0.000 -6.648) 6.648 4.617 ( 0.000 0.000 6.483) 6.483 4.693 ( 0.000 0.000 -3.818) 3.818 4.764 ( 0.000 0.000 -1.263) 1.263 4.807 ( 0.000 0.000 8.128) 8.128 4.891 ( 0.000 0.000 3.242) 3.242 4.940 ( 0.000 0.000 4.704) 4.704 5.009 ( 0.000 0.000 -1.058) 1.058 5.097 ( 0.000 0.000 8.260) 8.260 5.166 ( 0.000 0.000 -18.558) 18.558 5.366 ( 0.000 0.000 -2.477) 2.477 5.374 ( 0.000 0.000 -2.679) 2.679 5.386 ( 0.000 0.000 -2.371) 2.371 5.468 ( 0.000 0.000 -3.081) 3.081 5.517 ( 0.000 0.000 0.697) 0.697 5.578 ( 0.000 0.000 -5.308) 5.308 5.640 ( 0.000 0.000 2.676) 2.676 5.712 ( 0.000 0.000 5.216) 5.216 5.719 ( 0.000 0.000 5.753) 5.753 5.832 ( 0.000 0.000 2.285) 2.285 5.922 ( 0.000 0.000 -3.412) 3.412 6.027 ( 0.000 0.000 2.613) 2.613 6.101 ( 0.000 0.000 -1.334) 1.334 6.158 ( 0.000 0.000 -0.043) 0.043 6.191 ( 0.000 0.000 3.919) 3.919 6.248 ( 0.000 0.000 -0.083) 0.083 6.356 ( 0.000 0.000 -4.674) 4.674 6.423 ( 0.000 0.000 3.065) 3.065 6.427 ( 0.000 0.000 10.420) 10.420 6.455 ( 0.000 0.000 -0.985) 0.985 6.711 ( 0.000 0.000 20.050) 20.050 6.732 ( 0.000 0.000 0.676) 0.676 6.928 ( 0.000 0.000 4.449) 4.449 6.995 ( 0.000 0.000 4.483) 4.483 7.001 ( 0.000 0.000 5.264) 5.264 7.063 ( 0.000 0.000 -16.420) 16.420 7.186 ( 0.000 0.000 -4.324) 4.324 7.217 ( 0.000 0.000 1.701) 1.701 7.227 ( 0.000 0.000 -4.272) 4.272 7.310 ( 0.000 0.000 -13.260) 13.260 7.369 ( 0.000 0.000 -1.687) 1.687 7.378 ( 0.000 0.000 12.686) 12.686 7.385 ( 0.000 0.000 -2.921) 2.921 7.493 ( 0.000 0.000 -1.737) 1.737 7.615 ( 0.000 0.000 -6.728) 6.728 7.633 ( 0.000 0.000 -0.122) 0.122 7.669 ( 0.000 0.000 1.181) 1.181 7.671 ( 0.000 0.000 -0.581) 0.581 7.780 ( 0.000 0.000 2.906) 2.906 7.784 ( 0.000 0.000 -1.605) 1.605 7.803 ( 0.000 0.000 -6.121) 6.121 7.832 ( 0.000 0.000 3.587) 3.587 7.916 ( 0.000 0.000 -18.911) 18.911 8.023 ( 0.000 0.000 -5.897) 5.897 8.095 ( 0.000 0.000 6.662) 6.662 8.124 ( 0.000 0.000 -2.555) 2.555 8.164 ( 0.000 0.000 -4.908) 4.908 8.296 ( 0.000 0.000 7.537) 7.537 8.303 ( 0.000 0.000 -1.589) 1.589 8.366 ( 0.000 0.000 -7.114) 7.114 8.461 ( 0.000 0.000 -0.751) 0.751 8.569 ( 0.000 0.000 -2.670) 2.670 8.583 ( 0.000 0.000 -0.336) 0.336 8.637 ( 0.000 0.000 1.585) 1.585 8.647 ( 0.000 0.000 9.842) 9.842 8.728 ( 0.000 0.000 -5.215) 5.215 8.741 ( 0.000 0.000 18.867) 18.867 8.893 ( 0.000 0.000 0.713) 0.713 8.953 ( 0.000 0.000 4.797) 4.797 8.973 ( 0.000 0.000 2.170) 2.170 9.041 ( 0.000 0.000 7.050) 7.050 9.076 ( 0.000 0.000 3.207) 3.207 9.247 ( 0.000 0.000 -5.746) 5.746 9.307 ( 0.000 0.000 -3.220) 3.220 9.358 ( 0.000 0.000 -5.451) 5.451 9.506 ( 0.000 0.000 -0.391) 0.391 9.542 ( 0.000 0.000 -0.002) 0.002 9.659 ( 0.000 0.000 2.304) 2.304 9.738 ( 0.000 0.000 0.120) 0.120 9.921 ( 0.000 0.000 -0.946) 0.946 9.927 ( 0.000 0.000 -0.058) 0.058 10.042 ( 0.000 0.000 3.791) 3.791 10.098 ( 0.000 0.000 1.672) 1.672 10.102 ( 0.000 0.000 -0.040) 0.040 10.331 ( 0.000 0.000 2.136) 2.136 10.336 ( 0.000 0.000 -6.434) 6.434 10.377 ( 0.000 0.000 1.411) 1.411 10.573 ( 0.000 0.000 6.986) 6.986 10.670 ( 0.000 0.000 0.136) 0.136 10.715 ( 0.000 0.000 9.520) 9.520 10.782 ( 0.000 0.000 6.622) 6.622 10.943 ( 0.000 0.000 -2.835) 2.835 10.964 ( 0.000 0.000 -1.723) 1.723 11.085 ( 0.000 0.000 -5.335) 5.335 11.393 ( 0.000 0.000 -17.404) 17.404 11.427 ( 0.000 0.000 -2.807) 2.807 11.509 ( 0.000 0.000 1.024) 1.024 11.558 ( 0.000 0.000 -8.682) 8.682 11.600 ( 0.000 0.000 -3.061) 3.061 11.620 ( 0.000 0.000 5.951) 5.951 11.722 ( 0.000 0.000 3.338) 3.338 11.827 ( 0.000 0.000 -1.215) 1.215 11.839 ( 0.000 0.000 -1.044) 1.044 12.012 ( 0.000 0.000 7.053) 7.053 12.028 ( 0.000 0.000 6.504) 6.504 12.228 ( 0.000 0.000 -2.964) 2.964 12.431 ( 0.000 0.000 -13.815) 13.815 12.895 ( 0.000 0.000 0.115) 0.115 12.912 ( 0.000 0.000 -1.288) 1.288 13.020 ( 0.000 0.000 12.977) 12.977 13.021 ( 0.000 0.000 6.389) 6.389 13.160 ( 0.000 0.000 8.311) 8.311 13.552 ( 0.000 0.000 -10.050) 10.050 13.579 ( 0.000 0.000 -7.041) 7.041 13.668 ( 0.000 0.000 -4.548) 4.548 13.852 ( 0.000 0.000 3.010) 3.010 13.898 ( 0.000 0.000 -1.665) 1.665 14.139 ( 0.000 0.000 8.552) 8.552 14.396 ( 0.000 0.000 -3.497) 3.497 14.662 ( 0.000 0.000 1.776) 1.776 14.750 ( 0.000 0.000 -1.811) 1.811 18.358 ( 0.000 0.000 0.107) 0.107 18.360 ( 0.000 0.000 0.058) 0.058 18.849 ( 0.000 0.000 1.876) 1.876 18.931 ( 0.000 0.000 0.468) 0.468 18.953 ( 0.000 0.000 -0.416) 0.416 18.971 ( 0.000 0.000 -3.859) 3.859 19.234 ( 0.000 0.000 4.936) 4.936 19.344 ( 0.000 0.000 0.877) 0.877 19.392 ( 0.000 0.000 -1.103) 1.103 19.396 ( 0.000 0.000 -2.450) 2.450 20.329 ( 0.000 0.000 2.110) 2.110 20.466 ( 0.000 0.000 -4.102) 4.102 20.787 ( 0.000 0.000 4.077) 4.077 20.926 ( 0.000 0.000 -2.157) 2.157 20.997 ( 0.000 0.000 1.971) 1.971 21.090 ( 0.000 0.000 -1.845) 1.845 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 25.620 0.000 25.012) 35.805 1.019 ( 24.939 0.000 26.388) 36.308 1.815 ( 39.491 0.000 43.098) 58.455 2.065 ( 5.748 0.000 -19.084) 19.931 2.131 ( -7.007 0.000 -5.638) 8.993 2.382 ( -4.761 0.000 -22.606) 23.102 2.387 ( 1.929 0.000 0.491) 1.991 2.464 ( 2.137 0.000 5.150) 5.575 2.491 ( -3.809 0.000 -4.047) 5.557 2.686 ( -1.061 0.000 -3.690) 3.840 2.749 ( -17.020 0.000 -0.859) 17.042 2.774 ( 7.090 0.000 18.050) 19.393 2.969 ( -16.686 0.000 -1.239) 16.732 3.174 ( -12.281 0.000 -3.648) 12.812 3.281 ( -12.165 0.000 2.883) 12.502 3.394 ( -23.175 0.000 -0.045) 23.175 3.428 ( -19.996 0.000 -0.763) 20.010 3.545 ( 3.560 0.000 10.397) 10.990 3.669 ( 9.880 0.000 -8.839) 13.257 3.816 ( 14.447 0.000 -9.120) 17.085 3.883 ( 7.786 0.000 1.868) 8.007 3.937 ( 10.521 0.000 2.749) 10.875 3.960 ( -4.982 0.000 -3.286) 5.968 3.972 ( 10.962 0.000 -4.708) 11.931 4.082 ( -2.124 0.000 10.806) 11.013 4.104 ( 7.863 0.000 -2.739) 8.326 4.179 ( 5.525 0.000 -13.305) 14.407 4.336 ( 2.312 0.000 -4.016) 4.633 4.429 ( -6.497 0.000 0.590) 6.524 4.444 ( 2.743 0.000 -4.833) 5.557 4.519 ( -8.848 0.000 7.201) 11.407 4.555 ( -0.482 0.000 -5.702) 5.723 4.626 ( -9.372 0.000 0.856) 9.411 4.722 ( 9.711 0.000 1.093) 9.772 4.740 ( -0.669 0.000 -1.096) 1.284 4.816 ( -11.488 0.000 -1.578) 11.596 4.865 ( 0.581 0.000 0.536) 0.790 4.922 ( -5.090 0.000 2.870) 5.844 5.028 ( -8.283 0.000 -9.691) 12.748 5.102 ( 15.000 0.000 -0.583) 15.011 5.200 ( 14.472 0.000 1.750) 14.577 5.215 ( -2.529 0.000 -0.277) 2.545 5.408 ( 0.877 0.000 -8.613) 8.657 5.426 ( -0.776 0.000 -7.459) 7.499 5.475 ( 2.643 0.000 -1.344) 2.965 5.552 ( 0.136 0.000 1.324) 1.331 5.672 ( 5.805 0.000 2.124) 6.182 5.708 ( 5.903 0.000 3.370) 6.797 5.792 ( 7.113 0.000 7.435) 10.290 5.831 ( 7.132 0.000 5.474) 8.990 5.939 ( 4.097 0.000 -1.819) 4.482 6.006 ( 9.079 0.000 -1.455) 9.195 6.036 ( 5.509 0.000 6.788) 8.742 6.138 ( -0.094 0.000 -2.220) 2.222 6.148 ( 4.204 0.000 -4.234) 5.967 6.210 ( 3.037 0.000 3.605) 4.714 6.245 ( 0.873 0.000 -0.971) 1.306 6.374 ( -0.759 0.000 -1.845) 1.995 6.407 ( 1.125 0.000 7.075) 7.164 6.455 ( 0.608 0.000 -2.500) 2.573 6.457 ( 2.170 0.000 -2.672) 3.442 6.658 ( -2.334 0.000 9.771) 10.046 6.702 ( -12.130 0.000 6.510) 13.767 6.781 ( 5.304 0.000 7.363) 9.074 6.960 ( -6.756 0.000 -9.882) 11.970 7.023 ( -7.350 0.000 0.468) 7.365 7.056 ( -2.007 0.000 -1.822) 2.711 7.126 ( -14.297 0.000 12.636) 19.080 7.128 ( -1.814 0.000 -0.282) 1.836 7.195 ( -10.063 0.000 -4.692) 11.103 7.240 ( -0.691 0.000 -2.363) 2.462 7.266 ( -11.607 0.000 -7.961) 14.075 7.347 ( -7.267 0.000 -0.736) 7.305 7.360 ( -4.528 0.000 -3.404) 5.665 7.443 ( 6.835 0.000 0.229) 6.838 7.460 ( -4.400 0.000 -7.573) 8.758 7.534 ( -10.567 0.000 -0.396) 10.574 7.545 ( -1.460 0.000 -3.849) 4.116 7.734 ( -0.224 0.000 0.340) 0.407 7.793 ( 0.094 0.000 -3.831) 3.832 7.823 ( -7.017 0.000 -1.314) 7.139 7.919 ( 1.163 0.000 6.806) 6.904 7.939 ( 5.429 0.000 -11.174) 12.423 7.969 ( -4.623 0.000 6.015) 7.586 7.970 ( 16.825 0.000 2.033) 16.948 8.115 ( -0.383 0.000 -1.123) 1.187 8.117 ( -0.242 0.000 -2.208) 2.222 8.166 ( 0.403 0.000 -3.920) 3.940 8.191 ( -0.282 0.000 2.387) 2.404 8.282 ( -1.218 0.000 9.121) 9.202 8.349 ( -0.658 0.000 -6.557) 6.589 8.486 ( 2.132 0.000 -2.912) 3.609 8.499 ( 0.336 0.000 0.278) 0.436 8.543 ( -2.521 0.000 2.544) 3.582 8.656 ( -1.794 0.000 2.818) 3.341 8.719 ( 0.685 0.000 11.977) 11.996 8.736 ( 4.479 0.000 -8.327) 9.455 8.878 ( 8.451 0.000 4.020) 9.359 8.964 ( 0.982 0.000 -0.600) 1.151 8.998 ( 5.198 0.000 2.086) 5.601 9.023 ( 1.063 0.000 2.484) 2.702 9.044 ( 1.906 0.000 3.894) 4.335 9.124 ( -0.976 0.000 3.274) 3.416 9.197 ( 7.642 0.000 3.000) 8.210 9.274 ( -0.548 0.000 -4.104) 4.140 9.430 ( 7.251 0.000 -5.209) 8.928 9.565 ( 5.271 0.000 4.212) 6.747 9.596 ( -5.660 0.000 4.328) 7.125 9.709 ( -2.278 0.000 0.105) 2.281 9.847 ( 5.025 0.000 -9.262) 10.537 9.920 ( 0.282 0.000 -2.901) 2.915 9.968 ( 4.734 0.000 -3.661) 5.984 10.063 ( 2.585 0.000 0.196) 2.593 10.150 ( 4.789 0.000 0.458) 4.811 10.165 ( 7.421 0.000 -1.889) 7.658 10.266 ( -7.022 0.000 -5.310) 8.804 10.303 ( -2.876 0.000 1.248) 3.135 10.383 ( 1.190 0.000 0.210) 1.208 10.545 ( -3.570 0.000 7.028) 7.882 10.599 ( -4.898 0.000 4.201) 6.453 10.711 ( 0.489 0.000 6.707) 6.725 10.777 ( 0.502 0.000 5.957) 5.978 10.851 ( -4.061 0.000 -0.559) 4.100 11.034 ( 4.666 0.000 0.585) 4.703 11.071 ( -1.687 0.000 -7.780) 7.961 11.311 ( -7.635 0.000 -0.714) 7.669 11.348 ( -8.682 0.000 -2.408) 9.010 11.420 ( 2.665 0.000 -12.984) 13.254 11.521 ( -4.523 0.000 6.276) 7.736 11.637 ( -7.366 0.000 0.328) 7.373 11.695 ( 0.885 0.000 -1.954) 2.145 11.742 ( -0.522 0.000 -4.257) 4.289 11.794 ( 5.621 0.000 -5.111) 7.597 11.806 ( 1.492 0.000 -2.977) 3.330 12.088 ( 4.710 0.000 6.459) 7.994 12.115 ( 7.300 0.000 7.043) 10.144 12.336 ( 9.380 0.000 -2.196) 9.634 12.470 ( 3.356 0.000 -10.585) 11.104 12.777 ( -6.667 0.000 -2.208) 7.023 12.802 ( -8.364 0.000 -0.726) 8.395 13.098 ( 4.789 0.000 11.743) 12.682 13.164 ( 0.570 0.000 7.881) 7.902 13.185 ( 8.582 0.000 3.066) 9.113 13.526 ( -9.622 0.000 2.372) 9.910 13.571 ( -0.260 0.000 -6.968) 6.973 13.599 ( 4.638 0.000 -10.796) 11.750 13.815 ( -3.875 0.000 2.553) 4.641 13.874 ( -2.517 0.000 -2.812) 3.774 14.255 ( 7.682 0.000 2.137) 7.973 14.436 ( 4.087 0.000 -3.192) 5.186 14.576 ( -6.119 0.000 6.100) 8.640 14.721 ( -3.098 0.000 -2.153) 3.773 18.417 ( 5.832 0.000 0.870) 5.897 18.546 ( 12.375 0.000 -9.641) 15.687 18.795 ( -4.734 0.000 1.873) 5.091 18.907 ( -3.636 0.000 -2.743) 4.555 18.969 ( 3.015 0.000 0.508) 3.058 18.995 ( 1.692 0.000 -0.407) 1.740 19.171 ( -4.544 0.000 3.123) 5.514 19.225 ( -6.652 0.000 -0.094) 6.653 19.490 ( 8.296 0.000 0.812) 8.335 19.552 ( 10.657 0.000 -1.417) 10.751 20.198 ( -18.661 0.000 8.517) 20.513 20.236 ( -9.311 0.000 1.024) 9.368 20.814 ( 2.917 0.000 3.540) 4.587 20.946 ( 2.094 0.000 -2.144) 2.998 20.984 ( -1.442 0.000 2.096) 2.544 21.080 ( -1.132 0.000 -1.857) 2.175 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 28.992 0.000 14.420) 32.380 1.620 ( 35.813 0.000 7.501) 36.590 1.994 ( -14.395 0.000 5.129) 15.281 2.121 ( -9.940 0.000 5.392) 11.309 2.192 ( 6.109 0.000 -10.981) 12.566 2.253 ( -1.748 0.000 -10.487) 10.632 2.382 ( -13.556 0.000 1.271) 13.615 2.410 ( -12.392 0.000 2.371) 12.617 2.512 ( 2.055 0.000 -9.225) 9.451 2.597 ( 11.710 0.000 -10.739) 15.888 2.681 ( -13.537 0.000 -2.729) 13.809 2.797 ( 5.323 0.000 3.162) 6.191 2.929 ( 0.351 0.000 1.773) 1.808 2.978 ( 13.164 0.000 16.189) 20.866 3.037 ( -8.391 0.000 2.062) 8.641 3.059 ( -9.885 0.000 4.787) 10.983 3.164 ( 1.659 0.000 5.954) 6.180 3.590 ( -6.233 0.000 14.997) 16.241 3.856 ( -4.772 0.000 2.344) 5.317 3.864 ( 8.905 0.000 -3.789) 9.677 3.954 ( -0.838 0.000 0.385) 0.923 3.960 ( -23.739 0.000 10.697) 26.038 4.112 ( 7.135 0.000 -2.507) 7.563 4.114 ( 12.133 0.000 -2.770) 12.445 4.142 ( 5.873 0.000 -3.168) 6.673 4.197 ( 10.234 0.000 -0.715) 10.259 4.234 ( 1.235 0.000 3.029) 3.271 4.297 ( 2.064 0.000 -9.709) 9.926 4.357 ( -1.449 0.000 -0.209) 1.464 4.361 ( -5.851 0.000 -2.147) 6.232 4.449 ( 2.516 0.000 2.234) 3.365 4.471 ( -7.758 0.000 0.417) 7.769 4.524 ( 4.240 0.000 3.907) 5.765 4.543 ( -9.277 0.000 -6.920) 11.574 4.706 ( -11.111 0.000 7.174) 13.225 4.726 ( -17.420 0.000 -1.897) 17.523 4.909 ( 9.827 0.000 -11.194) 14.895 4.933 ( 13.657 0.000 -20.965) 25.021 5.039 ( 0.140 0.000 -7.148) 7.149 5.186 ( -8.637 0.000 -16.614) 18.725 5.285 ( 11.168 0.000 5.859) 12.612 5.378 ( 4.318 0.000 2.426) 4.952 5.421 ( -0.066 0.000 -0.911) 0.913 5.457 ( -0.410 0.000 -0.946) 1.031 5.546 ( 3.034 0.000 3.673) 4.764 5.692 ( 15.252 0.000 -5.527) 16.222 5.712 ( -5.118 0.000 5.879) 7.795 5.798 ( 1.955 0.000 2.605) 3.257 5.826 ( -0.984 0.000 15.961) 15.991 5.900 ( -5.883 0.000 13.582) 14.801 5.947 ( 10.059 0.000 6.813) 12.149 6.124 ( -2.384 0.000 -1.180) 2.660 6.164 ( 4.178 0.000 -0.820) 4.258 6.223 ( 8.186 0.000 -3.352) 8.845 6.231 ( 2.697 0.000 -1.850) 3.270 6.263 ( 2.009 0.000 -1.678) 2.618 6.310 ( -4.386 0.000 -4.195) 6.069 6.393 ( 15.674 0.000 -4.225) 16.233 6.457 ( -5.779 0.000 -1.083) 5.879 6.462 ( 2.364 0.000 -5.235) 5.744 6.527 ( 7.688 0.000 -2.163) 7.986 6.624 ( 2.364 0.000 -3.390) 4.133 6.656 ( 0.090 0.000 -3.049) 3.050 6.811 ( -3.385 0.000 3.830) 5.112 6.826 ( -12.050 0.000 -12.665) 17.481 6.847 ( -4.085 0.000 4.088) 5.779 6.922 ( -4.953 0.000 -0.585) 4.987 6.983 ( -7.716 0.000 -0.962) 7.776 6.986 ( 0.538 0.000 3.234) 3.278 7.064 ( 2.790 0.000 0.582) 2.850 7.067 ( -6.857 0.000 -7.323) 10.032 7.188 ( -12.211 0.000 4.863) 13.144 7.188 ( -6.208 0.000 0.669) 6.244 7.258 ( -15.121 0.000 1.599) 15.205 7.379 ( 3.043 0.000 1.416) 3.356 7.435 ( 4.481 0.000 -1.414) 4.699 7.566 ( -0.460 0.000 0.694) 0.833 7.587 ( 7.264 0.000 -1.123) 7.350 7.696 ( -4.114 0.000 -1.101) 4.259 7.704 ( 1.211 0.000 -0.647) 1.373 7.730 ( -11.518 0.000 13.266) 17.568 7.773 ( -4.303 0.000 -0.504) 4.332 8.023 ( 4.298 0.000 4.905) 6.522 8.058 ( 5.845 0.000 -5.321) 7.905 8.082 ( -1.868 0.000 -0.162) 1.875 8.119 ( -1.044 0.000 -3.314) 3.475 8.126 ( 2.277 0.000 -4.129) 4.716 8.184 ( -1.836 0.000 -2.778) 3.330 8.264 ( 4.254 0.000 7.274) 8.427 8.303 ( 1.102 0.000 7.588) 7.668 8.459 ( 10.165 0.000 -4.414) 11.082 8.482 ( -0.377 0.000 -1.601) 1.644 8.519 ( 0.912 0.000 -3.484) 3.601 8.526 ( -2.224 0.000 1.054) 2.461 8.653 ( 3.489 0.000 0.305) 3.502 8.753 ( 4.667 0.000 9.677) 10.744 8.757 ( -2.757 0.000 -7.290) 7.793 8.875 ( -6.818 0.000 8.289) 10.733 8.969 ( 0.361 0.000 3.488) 3.507 9.010 ( -3.291 0.000 6.323) 7.129 9.100 ( 7.887 0.000 -1.887) 8.109 9.129 ( 7.087 0.000 -4.617) 8.458 9.194 ( 2.522 0.000 -1.088) 2.747 9.230 ( -5.094 0.000 -1.153) 5.223 9.336 ( 6.926 0.000 0.463) 6.941 9.463 ( -7.636 0.000 6.113) 9.781 9.554 ( 4.054 0.000 -3.664) 5.465 9.610 ( -2.260 0.000 -0.337) 2.285 9.800 ( 13.550 0.000 1.314) 13.614 9.812 ( -1.227 0.000 1.277) 1.771 9.873 ( -5.608 0.000 1.039) 5.703 10.038 ( -5.902 0.000 -6.348) 8.668 10.107 ( 2.736 0.000 -4.540) 5.301 10.118 ( -0.025 0.000 -2.982) 2.982 10.179 ( -4.455 0.000 -5.226) 6.867 10.209 ( -4.026 0.000 -3.789) 5.528 10.291 ( 6.299 0.000 4.655) 7.832 10.435 ( -7.685 0.000 6.245) 9.903 10.486 ( 6.840 0.000 2.358) 7.235 10.559 ( -1.224 0.000 3.685) 3.883 10.745 ( 2.840 0.000 4.478) 5.303 10.788 ( -0.732 0.000 4.450) 4.510 10.855 ( 4.466 0.000 -4.997) 6.702 10.987 ( -7.732 0.000 -10.049) 12.679 11.097 ( 4.115 0.000 4.435) 6.050 11.216 ( -7.126 0.000 2.404) 7.521 11.275 ( 5.447 0.000 2.518) 6.000 11.442 ( -8.541 0.000 -3.101) 9.086 11.497 ( 3.406 0.000 0.923) 3.529 11.511 ( 2.627 0.000 -2.615) 3.707 11.609 ( -5.919 0.000 -4.056) 7.175 11.613 ( -7.802 0.000 -3.415) 8.517 11.946 ( 9.357 0.000 -1.318) 9.449 12.015 ( 12.585 0.000 -5.017) 13.548 12.090 ( -4.754 0.000 3.601) 5.964 12.181 ( -2.924 0.000 1.449) 3.263 12.516 ( 9.055 0.000 -1.042) 9.115 12.541 ( 4.772 0.000 -3.118) 5.701 12.653 ( -7.083 0.000 -1.506) 7.241 12.659 ( -6.494 0.000 -2.110) 6.828 13.152 ( 1.821 0.000 8.595) 8.786 13.178 ( -0.219 0.000 7.963) 7.966 13.296 ( 4.351 0.000 2.272) 4.908 13.383 ( -5.715 0.000 2.056) 6.073 13.605 ( 4.461 0.000 -3.714) 5.805 13.704 ( 5.993 0.000 -9.069) 10.870 13.716 ( -6.380 0.000 0.686) 6.416 13.806 ( -4.712 0.000 -5.545) 7.277 14.377 ( 5.645 0.000 3.035) 6.409 14.474 ( -5.037 0.000 5.398) 7.383 14.533 ( 5.886 0.000 -2.796) 6.517 14.640 ( -5.312 0.000 -2.578) 5.905 18.550 ( 7.735 0.000 1.856) 7.955 18.687 ( -6.759 0.000 2.053) 7.064 18.723 ( 7.005 0.000 -7.756) 10.451 18.829 ( -4.765 0.000 -4.416) 6.496 19.032 ( 3.870 0.000 0.352) 3.886 19.035 ( 2.625 0.000 0.991) 2.806 19.094 ( -3.685 0.000 1.868) 4.132 19.115 ( -5.106 0.000 0.141) 5.108 19.671 ( 10.980 0.000 3.039) 11.392 19.771 ( 12.754 0.000 -1.356) 12.825 19.900 ( -13.763 0.000 6.335) 15.151 20.017 ( -13.212 0.000 -0.627) 13.227 20.880 ( 3.755 0.000 2.719) 4.636 20.944 ( -2.896 0.000 2.306) 3.702 20.995 ( 2.943 0.000 -2.058) 3.591 21.047 ( -2.396 0.000 -1.943) 3.085 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 24.241 30.532) 38.985 1.152 ( 0.000 27.852 29.033) 40.233 1.822 ( 0.000 45.756 34.691) 57.420 2.232 ( 0.000 19.483 -18.432) 26.820 2.419 ( 0.000 16.945 0.941) 16.971 2.447 ( 0.000 3.901 -21.177) 21.533 2.586 ( 0.000 10.561 -0.188) 10.562 2.615 ( 0.000 7.173 -0.620) 7.199 2.634 ( 0.000 17.097 12.608) 21.243 2.854 ( 0.000 16.470 -4.524) 17.080 3.011 ( 0.000 23.625 -5.245) 24.200 3.035 ( 0.000 1.456 -9.420) 9.532 3.195 ( 0.000 5.703 6.871) 8.930 3.256 ( 0.000 4.525 -2.129) 5.001 3.398 ( 0.000 8.118 -1.823) 8.320 3.488 ( 0.000 -1.625 4.061) 4.374 3.661 ( 0.000 1.361 -0.777) 1.567 3.665 ( 0.000 6.951 -12.193) 14.035 3.709 ( 0.000 -3.546 -2.957) 4.618 3.733 ( 0.000 4.963 2.645) 5.624 3.827 ( 0.000 -0.163 -11.348) 11.349 3.902 ( 0.000 4.793 14.505) 15.276 3.986 ( 0.000 6.332 1.203) 6.446 4.045 ( 0.000 14.005 5.753) 15.141 4.112 ( 0.000 6.673 -5.411) 8.591 4.218 ( 0.000 4.364 12.225) 12.981 4.234 ( 0.000 10.938 -6.594) 12.772 4.313 ( 0.000 1.714 -9.313) 9.469 4.325 ( 0.000 3.042 -2.900) 4.203 4.492 ( 0.000 -0.977 4.542) 4.646 4.497 ( 0.000 2.448 -0.846) 2.590 4.588 ( 0.000 5.079 -7.391) 8.968 4.691 ( 0.000 7.633 4.832) 9.034 4.725 ( 0.000 0.097 0.933) 0.938 4.808 ( 0.000 0.223 1.815) 1.829 4.868 ( 0.000 8.235 -2.276) 8.544 4.873 ( 0.000 -1.975 2.943) 3.545 4.963 ( 0.000 2.511 3.370) 4.203 5.026 ( 0.000 -6.342 1.981) 6.644 5.117 ( 0.000 10.290 1.209) 10.361 5.179 ( 0.000 0.077 -10.751) 10.752 5.307 ( 0.000 -4.923 -3.490) 6.035 5.325 ( 0.000 -5.495 -1.454) 5.684 5.364 ( 0.000 -0.784 -1.639) 1.817 5.446 ( 0.000 -6.401 5.247) 8.277 5.475 ( 0.000 1.423 -3.977) 4.224 5.507 ( 0.000 -4.136 -7.167) 8.275 5.670 ( 0.000 0.850 -1.703) 1.903 5.673 ( 0.000 -2.152 5.889) 6.270 5.744 ( 0.000 2.372 2.973) 3.804 5.784 ( 0.000 -2.237 5.084) 5.554 5.949 ( 0.000 0.471 -7.018) 7.034 5.971 ( 0.000 -0.182 4.393) 4.397 6.098 ( 0.000 0.162 -2.331) 2.337 6.140 ( 0.000 -3.887 4.404) 5.874 6.259 ( 0.000 7.163 3.992) 8.200 6.294 ( 0.000 -4.951 -2.377) 5.492 6.402 ( 0.000 -0.836 7.240) 7.289 6.402 ( 0.000 -2.180 -4.209) 4.740 6.483 ( 0.000 11.433 -4.817) 12.406 6.532 ( 0.000 5.179 -2.358) 5.691 6.668 ( 0.000 -3.248 17.172) 17.477 6.754 ( 0.000 2.452 4.343) 4.988 6.896 ( 0.000 -2.662 3.641) 4.511 6.948 ( 0.000 -13.018 -13.737) 18.926 6.975 ( 0.000 -1.060 0.641) 1.238 7.024 ( 0.000 -1.994 1.458) 2.470 7.093 ( 0.000 -4.233 -4.309) 6.040 7.110 ( 0.000 -1.254 7.184) 7.293 7.190 ( 0.000 -1.884 4.770) 5.128 7.229 ( 0.000 -6.819 1.431) 6.967 7.372 ( 0.000 -3.770 1.597) 4.095 7.396 ( 0.000 3.089 -0.100) 3.090 7.434 ( 0.000 0.671 -4.548) 4.597 7.454 ( 0.000 6.013 -0.914) 6.082 7.573 ( 0.000 -7.922 -1.208) 8.014 7.626 ( 0.000 1.110 -7.027) 7.114 7.627 ( 0.000 -0.477 -5.685) 5.705 7.720 ( 0.000 -1.921 -3.652) 4.126 7.793 ( 0.000 1.005 -13.072) 13.111 7.806 ( 0.000 -2.561 1.052) 2.768 7.847 ( 0.000 2.477 -3.531) 4.314 7.923 ( 0.000 12.946 2.944) 13.277 8.038 ( 0.000 -4.034 3.496) 5.338 8.071 ( 0.000 13.522 -3.797) 14.044 8.122 ( 0.000 5.702 -2.290) 6.145 8.168 ( 0.000 3.061 1.166) 3.276 8.173 ( 0.000 1.759 -2.380) 2.960 8.236 ( 0.000 -3.440 -1.166) 3.632 8.421 ( 0.000 0.000 -5.595) 5.595 8.452 ( 0.000 3.090 3.434) 4.620 8.473 ( 0.000 -7.313 1.231) 7.416 8.493 ( 0.000 2.919 -0.065) 2.920 8.553 ( 0.000 -1.285 2.607) 2.907 8.588 ( 0.000 -4.925 -1.776) 5.235 8.661 ( 0.000 1.859 6.863) 7.110 8.736 ( 0.000 0.315 4.991) 5.001 8.763 ( 0.000 0.889 1.068) 1.390 8.862 ( 0.000 -3.396 1.609) 3.758 8.880 ( 0.000 -3.806 0.400) 3.827 8.943 ( 0.000 -3.761 -0.052) 3.761 9.049 ( 0.000 -8.298 -1.477) 8.428 9.106 ( 0.000 3.555 9.216) 9.878 9.112 ( 0.000 2.432 3.709) 4.435 9.294 ( 0.000 -1.222 -3.528) 3.734 9.400 ( 0.000 -0.806 -1.254) 1.491 9.461 ( 0.000 -3.520 0.503) 3.556 9.561 ( 0.000 -2.275 -1.909) 2.970 9.619 ( 0.000 1.579 5.387) 5.613 9.802 ( 0.000 1.350 -1.656) 2.136 9.895 ( 0.000 -2.921 -0.080) 2.922 9.916 ( 0.000 -0.781 -1.369) 1.576 10.001 ( 0.000 -2.370 3.190) 3.974 10.111 ( 0.000 2.215 1.259) 2.548 10.192 ( 0.000 5.545 -1.678) 5.794 10.271 ( 0.000 -3.404 -3.000) 4.538 10.282 ( 0.000 -5.426 0.970) 5.512 10.343 ( 0.000 -3.652 -0.157) 3.655 10.554 ( 0.000 -2.457 5.946) 6.434 10.695 ( 0.000 2.498 -5.370) 5.923 10.719 ( 0.000 -0.033 5.077) 5.078 10.779 ( 0.000 0.663 3.464) 3.527 10.947 ( 0.000 -2.032 -2.856) 3.505 10.961 ( 0.000 1.247 0.498) 1.343 10.986 ( 0.000 -9.274 -5.024) 10.547 11.289 ( 0.000 -7.812 2.193) 8.114 11.297 ( 0.000 -8.739 -12.357) 15.134 11.415 ( 0.000 -17.880 -2.336) 18.032 11.420 ( 0.000 -12.860 3.069) 13.221 11.509 ( 0.000 -6.168 1.092) 6.264 11.523 ( 0.000 -15.291 2.292) 15.462 11.547 ( 0.000 -6.898 -0.317) 6.905 11.622 ( 0.000 -8.114 -5.147) 9.609 11.788 ( 0.000 6.583 -13.762) 15.255 11.920 ( 0.000 -3.762 17.933) 18.323 12.041 ( 0.000 0.492 11.084) 11.095 12.452 ( 0.000 7.741 -10.477) 13.027 12.569 ( 0.000 6.333 -14.910) 16.199 12.818 ( 0.000 3.183 11.735) 12.159 12.940 ( 0.000 2.562 5.008) 5.625 12.948 ( 0.000 -2.389 7.197) 7.583 13.153 ( 0.000 10.482 6.635) 12.406 13.240 ( 0.000 4.528 5.602) 7.204 13.402 ( 0.000 -7.696 1.107) 7.775 13.566 ( 0.000 -4.613 -5.499) 7.178 13.779 ( 0.000 3.184 -9.387) 9.913 14.007 ( 0.000 10.486 1.954) 10.667 14.043 ( 0.000 14.540 0.450) 14.547 14.308 ( 0.000 -0.024 -1.850) 1.851 14.346 ( 0.000 -4.375 -1.909) 4.773 14.603 ( 0.000 -4.551 1.550) 4.808 14.927 ( 0.000 10.094 -23.334) 25.423 18.364 ( 0.000 1.442 0.926) 1.714 18.402 ( 0.000 3.151 -0.658) 3.219 18.908 ( 0.000 5.525 1.417) 5.704 18.911 ( 0.000 -1.722 0.992) 1.987 18.962 ( 0.000 0.693 -1.082) 1.285 19.002 ( 0.000 3.020 -3.191) 4.394 19.147 ( 0.000 -10.520 13.098) 16.800 19.209 ( 0.000 -2.226 4.856) 5.342 19.355 ( 0.000 -4.105 -1.777) 4.473 19.375 ( 0.000 -2.008 -2.658) 3.331 20.229 ( 0.000 -9.318 1.576) 9.451 20.270 ( 0.000 -11.156 1.892) 11.315 20.794 ( 0.000 1.040 3.528) 3.678 20.973 ( 0.000 1.357 -5.101) 5.278 20.982 ( 0.000 -1.382 2.089) 2.505 21.082 ( 0.000 -0.788 -2.007) 2.156 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 20.502 21.017 17.646) 34.255 1.457 ( 20.127 30.560 20.501) 41.944 2.130 ( 24.979 26.322 24.569) 43.823 2.263 ( -2.573 13.923 -14.904) 20.558 2.325 ( 4.284 19.563 -8.055) 21.586 2.467 ( -2.037 9.891 5.916) 11.704 2.539 ( 1.020 13.080 -10.582) 16.855 2.579 ( -1.930 8.059 -4.059) 9.227 2.709 ( 0.010 19.420 -0.717) 19.433 2.825 ( -4.596 3.948 2.890) 6.713 2.866 ( -10.713 14.715 2.543) 18.379 2.956 ( -6.365 18.276 1.422) 19.405 3.081 ( -9.019 13.949 2.747) 16.836 3.234 ( -3.690 0.627 5.377) 6.551 3.299 ( -12.087 8.088 -3.956) 15.072 3.410 ( -13.826 2.946 3.141) 14.481 3.503 ( -17.998 4.750 -1.487) 18.674 3.618 ( -3.558 7.841 2.854) 9.072 3.677 ( 1.499 -0.490 -3.599) 3.929 3.792 ( 5.701 -4.311 -6.042) 9.359 3.853 ( 9.176 0.265 -0.003) 9.180 3.899 ( 9.868 -0.608 -3.207) 10.394 4.004 ( -0.300 7.578 7.724) 10.825 4.080 ( 1.144 3.317 -6.409) 7.307 4.140 ( -0.451 6.613 4.823) 8.197 4.193 ( 7.300 5.305 -2.385) 9.334 4.318 ( 1.589 9.561 -4.272) 10.592 4.368 ( 3.696 3.809 -2.646) 5.931 4.426 ( -1.205 0.613 1.394) 1.942 4.480 ( 3.572 4.729 0.339) 5.936 4.549 ( 1.891 5.441 -7.290) 9.291 4.598 ( -5.013 6.614 1.655) 8.462 4.680 ( -11.208 0.016 -2.952) 11.590 4.689 ( 1.254 3.464 3.603) 5.153 4.758 ( 3.149 4.514 1.273) 5.649 4.887 ( -0.912 3.509 1.547) 3.941 4.967 ( -3.077 2.988 -6.732) 7.983 5.008 ( -2.490 5.358 -3.516) 6.875 5.018 ( -2.727 1.578 -4.220) 5.266 5.068 ( 6.347 -5.974 0.609) 8.738 5.124 ( 6.347 3.404 2.046) 7.487 5.241 ( 4.578 -1.945 -0.396) 4.990 5.380 ( 3.470 -2.935 -4.386) 6.316 5.412 ( 1.655 0.416 -5.525) 5.782 5.474 ( 4.174 -1.687 -0.967) 4.604 5.516 ( -0.457 -1.867 -1.752) 2.601 5.637 ( 8.280 -2.971 3.436) 9.444 5.669 ( 5.091 -2.341 4.304) 7.066 5.700 ( 1.367 -6.592 6.559) 9.400 5.828 ( 5.788 -3.142 2.376) 7.002 5.881 ( 9.208 0.092 0.823) 9.245 5.997 ( 1.118 -1.151 5.746) 5.966 6.023 ( 7.325 -1.326 -2.582) 7.879 6.108 ( 0.322 -1.202 -2.476) 2.771 6.139 ( 2.990 -2.992 1.597) 4.522 6.238 ( -0.392 4.846 -1.757) 5.170 6.341 ( 2.875 -4.279 2.149) 5.585 6.355 ( -4.904 -0.048 -2.139) 5.351 6.398 ( 0.631 0.876 0.475) 1.180 6.484 ( 2.226 6.933 -3.028) 7.886 6.524 ( -0.495 4.483 -3.041) 5.439 6.661 ( 1.672 -0.456 9.361) 9.520 6.709 ( -13.409 1.033 5.018) 14.354 6.802 ( -1.419 -0.249 -1.299) 1.940 6.864 ( -0.077 -4.149 2.763) 4.985 6.907 ( -7.010 -9.761 -1.627) 12.127 7.026 ( -10.029 -7.432 -3.143) 12.872 7.059 ( -5.912 -5.262 5.476) 9.625 7.076 ( -3.168 0.264 -5.093) 6.003 7.127 ( -0.253 -2.238 4.819) 5.320 7.255 ( -1.409 3.596 4.324) 5.798 7.297 ( -8.112 4.182 -5.999) 10.921 7.344 ( -5.294 -2.102 -0.999) 5.783 7.386 ( -3.095 0.125 -1.547) 3.462 7.428 ( -4.151 0.433 -3.284) 5.310 7.526 ( 1.798 2.178 -6.889) 7.445 7.551 ( -7.990 4.318 0.239) 9.086 7.680 ( -0.751 -3.138 -3.094) 4.471 7.720 ( 0.006 1.114 -4.257) 4.400 7.755 ( -4.649 2.367 -2.806) 5.924 7.802 ( -4.113 -3.066 -4.544) 6.853 7.890 ( 0.563 -0.202 6.842) 6.868 7.895 ( 1.969 -3.302 -5.069) 6.362 8.021 ( 1.948 6.522 2.288) 7.181 8.036 ( 1.967 1.023 2.664) 3.465 8.096 ( -0.597 -3.132 -0.578) 3.240 8.184 ( 0.775 4.978 -0.155) 5.040 8.225 ( 4.157 5.137 -1.693) 6.822 8.240 ( 0.104 5.889 1.333) 6.039 8.340 ( -6.226 0.536 3.432) 7.129 8.385 ( -0.374 2.677 -2.376) 3.599 8.490 ( 0.286 0.108 -0.274) 0.411 8.531 ( 1.200 0.857 -4.627) 4.856 8.554 ( -1.294 1.294 9.604) 9.777 8.573 ( 3.372 -4.819 0.103) 5.882 8.672 ( -0.475 -1.002 3.442) 3.616 8.712 ( 0.075 -3.677 -1.789) 4.090 8.898 ( 7.344 -0.549 1.200) 7.462 8.927 ( 2.164 -4.216 1.573) 4.993 8.948 ( 6.209 -2.908 -2.924) 7.454 9.000 ( 2.706 -2.570 1.998) 4.233 9.034 ( 0.462 -3.710 -0.197) 3.744 9.120 ( 3.726 3.154 5.313) 7.215 9.189 ( 4.683 -0.415 5.301) 7.086 9.310 ( 1.980 0.803 -2.386) 3.202 9.411 ( 4.524 -1.582 -3.823) 6.130 9.523 ( 2.273 -2.795 3.822) 5.253 9.593 ( 0.480 -0.245 5.943) 5.967 9.722 ( -2.133 -2.439 -1.396) 3.528 9.809 ( 11.012 -2.903 -5.643) 12.710 9.896 ( -0.745 -1.417 -1.525) 2.211 9.964 ( 2.899 -0.711 -1.392) 3.294 10.005 ( 1.738 -3.093 1.070) 3.705 10.113 ( 0.540 -0.033 0.989) 1.127 10.193 ( -4.158 -3.362 -3.104) 6.183 10.195 ( -2.175 0.940 -0.477) 2.417 10.270 ( -1.065 -3.721 1.424) 4.124 10.378 ( 2.986 -0.784 -1.473) 3.421 10.548 ( -0.645 -1.917 5.061) 5.450 10.654 ( -5.427 4.775 -2.885) 7.783 10.716 ( 0.364 0.119 4.248) 4.265 10.763 ( -0.708 -0.879 1.558) 1.924 10.876 ( -4.036 1.191 1.213) 4.379 10.985 ( -0.987 -7.611 -5.633) 9.520 10.994 ( 2.487 -3.251 -0.506) 4.124 11.191 ( -4.856 -11.358 -0.016) 12.353 11.295 ( -2.372 -8.892 -7.745) 12.028 11.321 ( -3.982 -4.890 -1.329) 6.445 11.400 ( -3.654 -14.497 0.302) 14.954 11.499 ( -1.362 -5.080 1.289) 5.415 11.515 ( -3.829 -9.881 3.175) 11.063 11.549 ( -2.109 -15.671 1.093) 15.850 11.686 ( 9.698 -6.401 -3.888) 12.253 11.864 ( 6.749 3.841 -10.049) 12.700 12.054 ( 1.962 -2.994 8.610) 9.325 12.087 ( 11.668 -2.211 8.189) 14.425 12.472 ( 1.435 6.656 -5.279) 8.615 12.570 ( 0.495 1.320 -11.051) 11.140 12.756 ( -5.472 3.757 -0.518) 6.658 12.801 ( -9.179 -0.169 0.143) 9.182 13.014 ( 4.236 -1.231 11.892) 12.684 13.203 ( 1.046 8.223 12.733) 15.193 13.304 ( 5.165 3.328 1.163) 6.253 13.427 ( 4.993 -1.714 0.943) 5.362 13.617 ( 3.464 -2.894 -6.647) 8.035 13.737 ( -3.684 6.429 -7.916) 10.843 13.921 ( -7.703 8.536 3.351) 11.976 14.005 ( -3.546 12.947 -0.627) 13.438 14.336 ( 2.673 -0.443 -0.677) 2.792 14.387 ( 4.150 -4.464 -1.935) 6.395 14.572 ( -3.252 -1.767 1.377) 3.948 14.784 ( -10.731 6.883 -11.290) 17.029 18.438 ( 5.792 1.868 0.653) 6.121 18.531 ( 11.196 -0.716 -5.904) 12.678 18.827 ( -5.328 2.155 1.647) 5.979 18.923 ( -3.992 1.142 -2.128) 4.666 18.970 ( 2.923 1.097 0.761) 3.213 19.001 ( 0.688 0.467 0.440) 0.941 19.129 ( -2.311 -4.516 4.418) 6.727 19.163 ( -3.501 -2.835 2.731) 5.268 19.440 ( 8.178 -4.539 1.129) 9.421 19.465 ( 8.153 -4.978 1.299) 9.641 20.126 ( -11.212 -6.939 2.331) 13.390 20.152 ( -9.305 -7.557 0.821) 12.016 20.823 ( 2.834 0.820 3.110) 4.287 20.968 ( -0.217 0.095 -0.768) 0.804 20.980 ( -0.145 0.196 -0.625) 0.671 21.074 ( -1.015 -0.694 -1.948) 2.304 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 30.528 12.366 6.865) 33.645 1.863 ( 22.967 25.560 12.635) 36.612 2.206 ( -11.757 13.431 3.047) 18.108 2.266 ( -7.831 12.891 1.295) 15.138 2.291 ( -2.423 11.287 -1.811) 11.686 2.515 ( -6.471 15.504 -8.370) 18.770 2.546 ( -8.470 16.793 -4.097) 19.249 2.566 ( -4.685 10.233 -10.918) 15.680 2.668 ( 2.662 16.916 -0.268) 17.126 2.716 ( 0.370 14.034 5.182) 14.965 2.783 ( 6.672 14.251 -4.631) 16.403 2.974 ( 0.564 4.415 4.643) 6.432 2.991 ( 1.655 3.082 10.085) 10.675 2.994 ( -12.126 15.154 -6.653) 20.517 3.183 ( -5.476 11.325 -2.678) 12.861 3.211 ( 1.806 13.601 5.840) 14.911 3.268 ( 3.971 9.528 6.709) 12.311 3.598 ( -6.588 2.695 13.890) 15.607 3.749 ( 6.256 -1.459 1.456) 6.587 3.858 ( 1.705 -0.945 2.897) 3.492 3.959 ( -2.742 -2.616 1.809) 4.199 3.976 ( -10.582 -3.546 10.823) 15.546 4.085 ( 4.410 2.026 1.082) 4.972 4.115 ( 1.331 2.638 -3.134) 4.308 4.197 ( 7.917 4.653 -6.514) 11.259 4.225 ( 2.460 1.922 1.119) 3.316 4.302 ( -3.479 3.314 -5.639) 7.408 4.350 ( -1.838 4.446 -2.095) 5.247 4.374 ( 3.676 4.416 -3.279) 6.616 4.461 ( -2.098 9.055 -0.036) 9.295 4.499 ( -3.159 4.554 -1.958) 5.878 4.551 ( 2.005 7.365 3.545) 8.416 4.611 ( -4.688 8.475 0.398) 9.693 4.656 ( -5.531 7.927 -5.800) 11.272 4.718 ( -4.191 3.440 2.421) 5.938 4.824 ( -8.350 5.819 -0.381) 10.185 4.932 ( 5.158 2.872 -8.905) 10.684 4.973 ( 6.321 4.250 -14.505) 16.383 5.066 ( -0.173 1.325 -7.130) 7.254 5.155 ( -0.788 -1.233 -9.005) 9.123 5.255 ( 8.701 -2.885 3.435) 9.789 5.357 ( 1.725 -4.206 -0.746) 4.607 5.380 ( 2.088 0.898 -0.015) 2.273 5.453 ( -0.338 -0.317 -0.976) 1.080 5.551 ( 2.347 -0.830 2.255) 3.358 5.647 ( -4.415 -5.410 6.491) 9.534 5.664 ( 12.037 -2.991 -2.436) 12.640 5.760 ( 4.130 -2.165 4.642) 6.580 5.808 ( 0.872 -0.910 11.307) 11.377 5.884 ( 0.294 -2.972 8.855) 9.345 5.922 ( 3.769 -1.698 7.867) 8.887 6.039 ( -3.269 -5.029 0.286) 6.005 6.154 ( 9.136 -1.354 -2.343) 9.528 6.199 ( 6.124 -1.895 -1.610) 6.609 6.255 ( 1.058 0.753 -1.810) 2.228 6.269 ( 5.868 -0.007 -0.911) 5.939 6.319 ( 0.791 -0.164 -4.359) 4.433 6.387 ( 0.562 0.514 -1.930) 2.075 6.411 ( 3.811 -4.938 -1.500) 6.416 6.497 ( -2.582 1.494 -4.823) 5.671 6.528 ( -1.244 -4.908 -0.771) 5.121 6.555 ( 2.271 2.502 -5.092) 6.111 6.690 ( -2.239 -1.876 -3.696) 4.711 6.736 ( -3.463 -5.368 -2.134) 6.735 6.776 ( -7.262 -3.062 -4.918) 9.290 6.786 ( -8.674 -5.009 4.803) 11.109 6.892 ( -0.551 1.646 -1.648) 2.393 6.953 ( -0.683 -4.344 -4.109) 6.018 6.998 ( 0.479 -1.711 1.914) 2.612 7.072 ( -10.991 4.444 1.072) 11.904 7.116 ( -3.115 4.289 -8.083) 9.666 7.187 ( -7.839 1.652 -1.803) 8.212 7.231 ( -3.860 2.452 5.731) 7.332 7.289 ( -7.267 3.078 0.438) 7.904 7.441 ( 6.019 2.824 6.384) 9.217 7.500 ( -1.335 4.367 -6.593) 8.020 7.573 ( 1.163 -0.034 -1.358) 1.789 7.587 ( 1.700 0.960 3.384) 3.906 7.670 ( -4.159 -1.910 -1.175) 4.725 7.710 ( -3.641 -3.398 0.781) 5.041 7.747 ( 0.480 2.520 1.274) 2.864 7.807 ( -6.111 3.927 10.529) 12.792 7.953 ( 3.839 -6.878 1.878) 8.098 8.024 ( -3.307 -6.637 0.562) 7.436 8.097 ( 3.063 3.374 -0.735) 4.616 8.129 ( -0.021 1.227 -2.642) 2.913 8.213 ( 2.610 7.079 -4.469) 8.769 8.241 ( -0.219 4.153 -1.055) 4.290 8.278 ( 1.510 0.450 5.767) 5.978 8.312 ( -1.373 2.683 5.546) 6.312 8.441 ( 6.341 -1.927 -1.652) 6.830 8.483 ( -0.166 -0.685 -1.016) 1.236 8.535 ( 0.306 0.358 -1.478) 1.551 8.560 ( -1.965 1.209 0.855) 2.461 8.618 ( 4.469 -3.467 3.774) 6.800 8.673 ( -0.560 -0.962 -0.140) 1.122 8.772 ( 5.901 -0.907 0.024) 5.970 8.874 ( -4.476 0.049 1.936) 4.877 8.975 ( -0.319 -0.880 6.047) 6.119 9.008 ( -1.722 -1.701 2.606) 3.557 9.072 ( 6.951 -2.457 -2.540) 7.797 9.101 ( 7.471 -3.138 -3.203) 8.713 9.161 ( -1.475 -1.520 -1.379) 2.528 9.237 ( -3.774 -0.988 0.171) 3.904 9.362 ( 6.172 1.640 -0.029) 6.387 9.468 ( -5.028 0.579 5.971) 7.828 9.531 ( 4.358 -2.793 -5.031) 7.218 9.592 ( -3.383 -3.031 -1.447) 4.767 9.776 ( 10.454 -0.264 4.692) 11.462 9.837 ( 0.394 1.388 1.966) 2.438 9.893 ( -4.374 2.043 1.825) 5.161 10.006 ( -9.422 -3.103 -1.915) 10.103 10.044 ( 4.457 -6.361 -5.075) 9.278 10.065 ( -0.172 -3.918 -1.786) 4.309 10.137 ( 1.861 -0.464 -4.334) 4.739 10.189 ( -2.590 -2.215 -3.957) 5.222 10.313 ( 6.898 1.795 2.829) 7.668 10.433 ( 0.140 0.305 0.697) 0.774 10.517 ( -5.139 1.917 1.081) 5.590 10.533 ( -1.574 -2.095 3.046) 4.018 10.743 ( 2.217 -0.862 3.045) 3.864 10.776 ( 0.452 -1.681 0.934) 1.975 10.845 ( 0.839 -1.313 -3.661) 3.979 10.925 ( -5.177 -5.444 -8.147) 11.082 11.045 ( 4.092 -4.324 4.306) 7.348 11.120 ( -2.801 -8.106 3.804) 9.382 11.269 ( 0.502 -5.823 -1.153) 5.957 11.314 ( -0.672 -13.060 -6.392) 14.556 11.349 ( -1.804 -8.992 3.182) 9.708 11.394 ( -5.469 -10.703 1.144) 12.074 11.453 ( 1.401 -4.163 -0.650) 4.440 11.535 ( -3.514 -5.813 -1.342) 6.924 11.848 ( 8.902 -7.767 1.071) 11.863 12.005 ( -5.913 -7.663 6.581) 11.704 12.070 ( 12.519 2.271 -7.363) 14.700 12.233 ( -0.655 2.933 -0.982) 3.162 12.495 ( 1.946 -2.245 -0.285) 2.985 12.555 ( -4.253 0.370 0.114) 4.271 12.661 ( 0.426 -2.416 -7.086) 7.499 12.704 ( -3.086 1.745 -7.048) 7.890 13.088 ( 3.617 1.607 11.431) 12.097 13.158 ( -3.979 2.873 12.117) 13.073 13.415 ( 6.609 6.325 -1.885) 9.340 13.553 ( -7.967 7.324 -5.363) 12.078 13.577 ( 9.356 3.941 2.344) 10.419 13.727 ( -4.060 5.219 -0.166) 6.614 13.819 ( 1.929 2.688 -1.614) 3.681 13.917 ( -5.661 8.231 -2.775) 10.368 14.402 ( 4.411 0.893 0.726) 4.559 14.484 ( 3.691 -3.575 -1.503) 5.354 14.495 ( -2.387 1.268 0.416) 2.735 14.614 ( -7.607 -1.467 -3.912) 8.679 18.569 ( 7.740 1.646 1.601) 8.073 18.709 ( -2.080 0.594 -0.782) 2.300 18.713 ( 2.822 0.218 -3.612) 4.589 18.833 ( -5.502 0.177 -3.573) 6.563 19.022 ( 2.459 -0.171 0.965) 2.647 19.026 ( 1.948 -0.420 1.559) 2.531 19.080 ( -2.296 -1.383 1.109) 2.900 19.097 ( -3.367 -1.043 0.271) 3.535 19.611 ( 9.111 -5.367 3.823) 11.244 19.640 ( 8.606 -8.193 4.523) 12.714 19.911 ( -9.070 -2.266 -0.576) 9.366 19.955 ( -10.763 -5.859 -1.517) 12.348 20.885 ( 3.453 0.346 2.485) 4.268 20.941 ( -2.408 -0.312 2.181) 3.264 21.002 ( 2.120 0.365 -2.364) 3.196 21.044 ( -2.081 -0.371 -1.999) 2.909 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 26.448 17.696) 31.822 1.722 ( 0.000 26.472 22.098) 34.483 2.535 ( 0.000 0.362 -0.284) 0.460 2.618 ( 0.000 16.774 3.218) 17.080 2.647 ( 0.000 15.485 -8.166) 17.506 2.720 ( 0.000 6.506 -15.931) 17.208 2.769 ( 0.000 15.756 0.683) 15.771 2.876 ( 0.000 28.711 -2.049) 28.784 3.051 ( 0.000 4.338 -7.190) 8.398 3.069 ( 0.000 9.332 -6.236) 11.224 3.196 ( 0.000 29.040 10.440) 30.860 3.388 ( 0.000 5.028 2.165) 5.475 3.485 ( 0.000 12.055 -0.482) 12.064 3.490 ( 0.000 -5.177 -2.029) 5.561 3.559 ( 0.000 17.147 -1.990) 17.262 3.609 ( 0.000 8.939 3.306) 9.531 3.646 ( 0.000 25.868 3.436) 26.095 3.698 ( 0.000 -2.880 -0.883) 3.013 3.769 ( 0.000 4.027 3.939) 5.633 3.875 ( 0.000 12.791 -7.491) 14.824 4.006 ( 0.000 15.025 -3.061) 15.334 4.019 ( 0.000 5.241 6.476) 8.331 4.160 ( 0.000 12.532 -0.831) 12.560 4.248 ( 0.000 9.810 -0.337) 9.816 4.273 ( 0.000 1.470 -0.401) 1.524 4.310 ( 0.000 13.030 3.947) 13.614 4.415 ( 0.000 6.240 1.150) 6.346 4.428 ( 0.000 6.058 1.795) 6.318 4.479 ( 0.000 -2.184 8.296) 8.579 4.523 ( 0.000 14.503 -2.784) 14.768 4.670 ( 0.000 15.287 4.462) 15.925 4.681 ( 0.000 -3.627 6.602) 7.533 4.763 ( 0.000 -9.587 0.041) 9.587 4.787 ( 0.000 -3.008 -6.567) 7.223 4.856 ( 0.000 17.978 -1.200) 18.018 4.878 ( 0.000 -4.964 5.226) 7.208 4.919 ( 0.000 13.195 0.637) 13.211 4.998 ( 0.000 4.285 1.812) 4.652 5.106 ( 0.000 11.724 -5.974) 13.159 5.128 ( 0.000 -5.065 -5.077) 7.171 5.187 ( 0.000 -6.412 1.394) 6.561 5.234 ( 0.000 -1.822 3.987) 4.383 5.326 ( 0.000 4.882 -4.093) 6.371 5.348 ( 0.000 -1.393 -5.061) 5.249 5.382 ( 0.000 7.106 3.171) 7.781 5.442 ( 0.000 -2.106 -2.715) 3.436 5.546 ( 0.000 6.372 -4.295) 7.684 5.618 ( 0.000 -5.682 -1.852) 5.976 5.685 ( 0.000 4.564 3.967) 6.047 5.784 ( 0.000 0.545 0.643) 0.843 5.842 ( 0.000 6.552 -0.608) 6.580 5.902 ( 0.000 -5.272 -11.134) 12.319 5.972 ( 0.000 -0.248 4.241) 4.248 6.059 ( 0.000 -3.565 4.751) 5.940 6.109 ( 0.000 0.676 -2.525) 2.614 6.180 ( 0.000 -6.713 0.218) 6.716 6.306 ( 0.000 -1.382 3.351) 3.625 6.349 ( 0.000 -1.459 -9.326) 9.440 6.461 ( 0.000 5.060 3.470) 6.135 6.517 ( 0.000 -5.578 2.197) 5.995 6.583 ( 0.000 -1.294 -7.961) 8.066 6.694 ( 0.000 -5.136 -0.895) 5.213 6.764 ( 0.000 6.184 -6.809) 9.198 6.803 ( 0.000 0.069 3.278) 3.279 6.838 ( 0.000 -0.618 -0.246) 0.665 6.956 ( 0.000 -6.335 1.921) 6.619 6.995 ( 0.000 1.215 3.987) 4.168 7.002 ( 0.000 -4.292 2.072) 4.766 7.101 ( 0.000 7.497 2.800) 8.003 7.186 ( 0.000 0.078 -3.118) 3.119 7.205 ( 0.000 -8.247 4.586) 9.437 7.288 ( 0.000 4.460 9.345) 10.355 7.362 ( 0.000 -9.985 6.645) 11.993 7.399 ( 0.000 -1.904 -10.135) 10.312 7.486 ( 0.000 -5.857 2.552) 6.389 7.507 ( 0.000 -7.917 -4.345) 9.031 7.532 ( 0.000 7.259 6.838) 9.973 7.619 ( 0.000 -8.064 -1.932) 8.293 7.690 ( 0.000 5.064 -9.275) 10.567 7.790 ( 0.000 -2.125 -5.062) 5.490 7.841 ( 0.000 -8.420 -3.915) 9.285 7.841 ( 0.000 2.487 -3.564) 4.345 7.991 ( 0.000 2.885 -3.366) 4.433 8.086 ( 0.000 1.413 1.271) 1.901 8.090 ( 0.000 -6.065 -6.167) 8.650 8.129 ( 0.000 -2.877 -2.953) 4.123 8.256 ( 0.000 -11.098 1.816) 11.246 8.286 ( 0.000 -12.569 -0.622) 12.584 8.291 ( 0.000 7.170 0.209) 7.173 8.310 ( 0.000 7.871 -0.343) 7.878 8.330 ( 0.000 -5.428 -0.071) 5.429 8.391 ( 0.000 0.933 3.818) 3.930 8.428 ( 0.000 -2.948 8.118) 8.637 8.580 ( 0.000 4.903 0.356) 4.915 8.627 ( 0.000 3.446 5.969) 6.893 8.671 ( 0.000 -3.460 7.646) 8.393 8.700 ( 0.000 -5.842 3.630) 6.878 8.773 ( 0.000 3.132 0.085) 3.134 8.800 ( 0.000 0.922 2.438) 2.606 8.821 ( 0.000 0.788 1.374) 1.584 8.949 ( 0.000 3.201 -7.125) 7.811 8.957 ( 0.000 0.676 -4.998) 5.043 9.139 ( 0.000 -1.144 2.157) 2.442 9.187 ( 0.000 2.987 9.302) 9.770 9.255 ( 0.000 -2.585 -4.354) 5.063 9.358 ( 0.000 -2.345 0.442) 2.386 9.383 ( 0.000 -3.571 1.153) 3.752 9.469 ( 0.000 -5.466 0.444) 5.484 9.630 ( 0.000 -8.057 1.042) 8.125 9.753 ( 0.000 1.472 -1.198) 1.898 9.808 ( 0.000 -5.175 0.207) 5.179 9.888 ( 0.000 -2.227 -3.651) 4.277 9.954 ( 0.000 -2.800 2.750) 3.925 10.115 ( 0.000 -9.636 3.299) 10.185 10.170 ( 0.000 0.094 -3.952) 3.953 10.208 ( 0.000 3.333 4.856) 5.890 10.237 ( 0.000 -5.686 -5.367) 7.818 10.359 ( 0.000 5.668 3.041) 6.432 10.510 ( 0.000 -1.595 7.849) 8.009 10.736 ( 0.000 -0.406 -3.218) 3.243 10.754 ( 0.000 -3.432 -7.183) 7.960 10.757 ( 0.000 2.096 -7.385) 7.676 10.785 ( 0.000 -7.419 -2.746) 7.911 10.861 ( 0.000 -7.700 -5.429) 9.422 10.953 ( 0.000 -2.325 1.569) 2.805 11.035 ( 0.000 -13.934 2.277) 14.119 11.084 ( 0.000 -11.131 -3.314) 11.613 11.122 ( 0.000 -8.417 -2.979) 8.929 11.257 ( 0.000 2.349 5.660) 6.128 11.335 ( 0.000 -2.543 0.089) 2.545 11.365 ( 0.000 -3.867 8.359) 9.210 11.412 ( 0.000 -5.325 1.950) 5.671 11.654 ( 0.000 5.719 -6.865) 8.935 11.765 ( 0.000 -8.302 6.108) 10.307 11.929 ( 0.000 3.178 -7.899) 8.515 11.998 ( 0.000 -2.738 13.432) 13.708 12.433 ( 0.000 -7.313 -14.921) 16.616 12.584 ( 0.000 -4.262 -13.937) 14.575 12.901 ( 0.000 1.170 13.978) 14.027 12.957 ( 0.000 1.557 8.291) 8.436 13.036 ( 0.000 3.869 9.497) 10.255 13.251 ( 0.000 -5.333 0.264) 5.340 13.278 ( 0.000 4.520 -5.955) 7.477 13.436 ( 0.000 -4.962 -5.072) 7.096 13.486 ( 0.000 12.288 7.693) 14.497 13.812 ( 0.000 1.216 -6.702) 6.812 14.174 ( 0.000 -10.047 1.962) 10.237 14.216 ( 0.000 8.867 3.804) 9.649 14.247 ( 0.000 -4.933 -0.842) 5.005 14.361 ( 0.000 15.186 -2.329) 15.363 14.500 ( 0.000 -4.664 4.884) 6.753 15.009 ( 0.000 -0.704 -18.739) 18.752 18.417 ( 0.000 3.787 1.714) 4.157 18.485 ( 0.000 4.890 -1.089) 5.010 18.863 ( 0.000 -3.271 2.055) 3.863 18.957 ( 0.000 -2.892 -0.116) 2.894 19.012 ( 0.000 -2.069 7.300) 7.588 19.056 ( 0.000 7.113 0.500) 7.130 19.085 ( 0.000 5.062 -0.922) 5.145 19.170 ( 0.000 0.116 3.445) 3.447 19.252 ( 0.000 -5.289 -1.996) 5.653 19.319 ( 0.000 -3.187 -2.892) 4.303 19.996 ( 0.000 -12.709 0.668) 12.727 20.040 ( 0.000 -11.869 0.076) 11.869 20.818 ( 0.000 1.107 2.895) 3.099 20.945 ( 0.000 -2.138 2.315) 3.151 20.983 ( 0.000 0.008 -4.164) 4.164 21.058 ( 0.000 -1.511 -2.326) 2.773 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 11.806 23.914 10.303) 28.591 2.020 ( 21.312 23.027 19.930) 37.170 2.434 ( -6.376 6.919 -12.376) 15.547 2.543 ( -4.216 6.892 3.372) 8.755 2.682 ( 0.533 6.639 -5.657) 8.739 2.765 ( 2.372 11.430 2.809) 12.007 2.835 ( -5.472 14.500 3.188) 15.822 2.876 ( 7.683 19.022 -9.426) 22.577 2.959 ( 3.549 21.426 -1.137) 21.748 3.165 ( 0.727 11.761 -3.216) 12.214 3.208 ( -10.498 10.837 -0.355) 15.092 3.235 ( -5.971 13.499 2.829) 15.029 3.404 ( -2.571 11.835 2.593) 12.385 3.444 ( -9.685 21.755 1.787) 23.880 3.482 ( -8.276 4.133 3.201) 9.789 3.526 ( -8.346 7.719 -1.223) 11.434 3.673 ( 5.051 17.986 2.195) 18.811 3.729 ( -6.436 6.512 1.494) 9.276 3.792 ( -0.577 4.568 1.544) 4.856 3.880 ( -4.502 14.427 -1.503) 15.188 3.895 ( 5.899 6.527 -1.714) 8.963 3.916 ( 6.220 8.831 -0.557) 10.816 4.183 ( 0.472 9.421 -4.858) 10.610 4.212 ( -5.804 8.570 2.122) 10.566 4.260 ( -0.896 3.639 1.407) 4.003 4.289 ( 0.133 8.337 2.686) 8.760 4.477 ( 1.911 4.949 4.421) 6.906 4.498 ( 4.362 6.675 -4.076) 8.956 4.542 ( 2.397 12.214 1.872) 12.587 4.600 ( -6.357 -1.584 3.853) 7.601 4.625 ( 6.858 2.565 1.706) 7.518 4.692 ( -1.135 8.410 0.269) 8.491 4.783 ( 2.600 2.003 -0.449) 3.312 4.819 ( -0.542 -1.530 -0.178) 1.633 4.869 ( -2.475 10.768 -0.290) 11.053 4.909 ( 3.962 5.247 3.232) 7.326 4.981 ( 2.885 2.151 -2.042) 4.138 5.024 ( 0.404 3.167 -1.528) 3.539 5.088 ( 2.950 2.708 -0.830) 4.090 5.121 ( 4.089 5.936 -12.596) 14.513 5.196 ( -2.257 2.406 -0.370) 3.320 5.258 ( 3.986 3.634 -1.117) 5.509 5.326 ( 4.447 0.896 -2.699) 5.278 5.400 ( 7.039 -2.800 -1.280) 7.683 5.452 ( 8.055 2.258 3.986) 9.266 5.528 ( -2.803 3.007 -2.935) 5.051 5.592 ( 8.801 -0.644 1.569) 8.963 5.606 ( 0.132 -1.254 4.592) 4.762 5.678 ( -2.624 3.280 1.795) 4.568 5.768 ( 3.367 -2.276 -1.074) 4.203 5.887 ( 3.317 -0.261 5.546) 6.468 5.956 ( 1.256 -4.527 0.595) 4.735 5.989 ( 3.523 1.151 0.435) 3.732 6.054 ( 1.857 -4.172 2.389) 5.154 6.082 ( -0.479 -3.474 -4.329) 5.571 6.243 ( 3.230 -3.968 -1.707) 5.393 6.301 ( 0.386 0.694 1.037) 1.306 6.319 ( -2.606 -0.940 -7.792) 8.270 6.452 ( -0.710 3.694 1.841) 4.188 6.507 ( 0.729 -6.844 -1.048) 6.962 6.570 ( -1.196 -0.546 -8.876) 8.973 6.682 ( -4.752 -4.753 -9.825) 11.904 6.705 ( -3.312 4.285 0.797) 5.474 6.739 ( -5.068 -1.932 1.739) 5.695 6.832 ( -16.022 7.099 7.859) 19.206 6.883 ( 1.302 -0.463 -0.249) 1.405 6.926 ( -3.123 -1.976 3.202) 4.890 7.001 ( -3.645 0.896 4.618) 5.951 7.072 ( -2.306 -0.707 -4.647) 5.236 7.103 ( 4.692 -3.110 5.464) 7.845 7.215 ( -0.558 -4.408 -2.684) 5.191 7.285 ( -4.169 -7.356 1.676) 8.619 7.357 ( -0.602 -0.325 -0.402) 0.794 7.411 ( -6.079 3.050 5.543) 8.774 7.443 ( -3.146 -0.315 -1.085) 3.343 7.512 ( -1.611 -4.603 -7.056) 8.577 7.544 ( 0.130 -1.026 -1.169) 1.561 7.603 ( 3.130 -1.501 0.295) 3.483 7.690 ( -2.005 -3.252 -4.680) 6.042 7.778 ( -10.025 -5.323 -2.488) 11.620 7.802 ( 0.176 -2.109 -0.059) 2.117 7.809 ( -1.493 1.010 -2.525) 3.102 7.901 ( -5.524 2.341 0.291) 6.007 7.936 ( -5.080 -7.365 -2.098) 9.190 8.085 ( 0.405 -1.618 -0.230) 1.683 8.153 ( 1.428 0.002 -1.011) 1.749 8.240 ( -0.354 -7.820 6.042) 9.889 8.269 ( 3.257 2.661 3.681) 5.590 8.303 ( 2.993 -2.340 2.725) 4.676 8.335 ( 0.197 0.666 -0.737) 1.013 8.380 ( -3.208 2.160 2.412) 4.558 8.400 ( 2.745 -3.964 1.197) 4.968 8.544 ( 5.597 -1.241 -0.126) 5.735 8.586 ( -0.393 1.980 -0.241) 2.033 8.607 ( -0.549 -0.285 1.579) 1.696 8.638 ( 0.053 2.649 4.697) 5.393 8.676 ( -0.116 0.105 -1.141) 1.152 8.809 ( 5.225 -2.393 -0.548) 5.773 8.845 ( 3.949 -1.805 2.350) 4.937 8.928 ( 3.799 -3.438 -2.264) 5.601 8.958 ( 2.840 0.960 -1.482) 3.345 8.984 ( -0.590 -0.323 -1.164) 1.345 9.144 ( -0.580 -4.220 4.138) 5.939 9.183 ( 2.525 2.498 4.149) 5.462 9.289 ( 2.417 -2.274 -0.883) 3.435 9.371 ( 4.028 -2.676 -3.245) 5.824 9.468 ( 2.686 -4.329 3.841) 6.380 9.524 ( 0.690 -7.668 -0.525) 7.717 9.621 ( 3.871 -4.173 4.926) 7.528 9.789 ( 5.930 1.370 -3.456) 6.999 9.829 ( 1.497 -4.339 -0.433) 4.610 9.944 ( -0.697 -1.292 0.648) 1.605 9.957 ( 4.815 -2.421 -4.334) 6.915 10.115 ( -1.767 -4.460 -4.102) 6.312 10.126 ( -1.024 -3.766 3.042) 4.948 10.179 ( -4.079 2.245 2.271) 5.180 10.261 ( 2.107 1.901 2.006) 3.476 10.366 ( 2.214 0.406 -1.061) 2.489 10.506 ( -0.737 -1.751 6.648) 6.914 10.704 ( -2.925 -5.360 -3.726) 7.154 10.721 ( -1.227 -1.247 -3.653) 4.050 10.740 ( -4.694 2.177 -7.378) 9.011 10.790 ( 0.703 -6.986 -2.576) 7.479 10.851 ( -4.438 -5.034 -2.359) 7.113 10.917 ( 0.968 -8.230 -2.136) 8.557 10.948 ( -3.628 -6.833 0.130) 7.737 11.070 ( -4.603 -10.888 1.044) 11.867 11.152 ( 0.901 -7.414 -2.660) 7.928 11.261 ( 0.400 3.573 2.752) 4.528 11.314 ( 0.378 -6.112 2.513) 6.619 11.353 ( 0.401 -4.056 4.548) 6.107 11.506 ( 1.166 0.502 4.510) 4.686 11.585 ( 0.842 -0.728 -3.567) 3.737 11.827 ( 6.256 -6.862 0.799) 9.320 11.948 ( -3.929 -5.969 8.792) 11.330 12.095 ( 12.767 2.594 -3.640) 13.527 12.467 ( 3.044 -7.588 -11.660) 14.240 12.526 ( -5.491 -4.019 -11.869) 13.682 12.786 ( -11.044 0.132 6.760) 12.949 12.830 ( -9.999 -0.073 3.186) 10.494 13.076 ( 6.030 4.725 10.849) 13.282 13.284 ( 1.716 -0.828 3.514) 3.997 13.452 ( 9.839 8.132 -3.332) 13.192 13.490 ( 6.296 -2.459 -1.875) 7.015 13.506 ( 4.716 4.705 4.359) 7.961 13.800 ( -1.157 0.685 -6.045) 6.192 14.100 ( -10.981 6.235 4.845) 13.525 14.194 ( -0.503 -3.819 2.055) 4.366 14.277 ( 2.258 -3.230 -1.069) 4.083 14.343 ( 1.155 9.724 -2.879) 10.207 14.503 ( -0.434 -3.339 3.416) 4.796 14.884 ( -11.595 1.649 -14.152) 18.369 18.483 ( 5.637 2.491 1.127) 6.265 18.551 ( 6.872 2.917 -2.100) 7.756 18.830 ( -3.703 -2.129 2.245) 4.825 18.917 ( -3.946 -2.378 0.569) 4.642 19.006 ( 0.320 0.357 2.422) 2.469 19.046 ( -0.380 3.433 0.106) 3.455 19.087 ( -0.776 2.717 1.138) 3.046 19.142 ( -1.650 2.050 0.672) 2.716 19.337 ( 6.838 -5.288 0.452) 8.656 19.372 ( 5.823 -4.103 0.331) 7.131 19.928 ( -6.720 -11.609 -0.004) 13.413 19.965 ( -7.338 -10.341 -0.426) 12.687 20.840 ( 2.237 0.771 2.595) 3.512 20.943 ( -0.292 -1.768 2.124) 2.779 20.986 ( 0.431 -0.007 -3.453) 3.480 21.051 ( -0.787 -1.429 -2.188) 2.730 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 19.183 13.466 5.214) 24.010 2.285 ( -1.985 6.353 6.743) 9.475 2.468 ( 10.293 10.379 -6.150) 15.858 2.486 ( 4.350 20.690 6.437) 22.101 2.608 ( -6.222 8.791 -2.714) 11.107 2.731 ( -8.339 12.894 3.530) 15.756 2.827 ( -0.011 12.815 0.234) 12.817 2.891 ( -5.602 15.910 -2.093) 16.997 3.006 ( -0.646 5.115 1.274) 5.311 3.069 ( -0.422 13.128 3.684) 13.641 3.124 ( -2.028 10.905 4.160) 11.847 3.152 ( -5.001 20.495 -4.561) 21.584 3.220 ( -1.478 19.558 -4.093) 20.037 3.314 ( -6.655 4.737 0.061) 8.169 3.342 ( -0.844 10.013 -2.192) 10.284 3.483 ( -9.405 15.452 -10.046) 20.691 3.634 ( 7.605 20.827 2.902) 22.361 3.762 ( -0.048 14.438 7.365) 16.208 3.851 ( 5.995 3.230 8.064) 10.555 3.925 ( 7.050 11.472 2.451) 13.686 3.986 ( 3.590 12.869 7.055) 15.109 4.002 ( -6.680 7.781 4.289) 11.117 4.129 ( 3.996 1.723 -0.874) 4.438 4.219 ( -3.918 6.306 -0.650) 7.453 4.288 ( 3.022 4.591 -5.351) 7.671 4.305 ( 3.332 5.592 -2.300) 6.903 4.391 ( -1.714 3.960 0.014) 4.315 4.471 ( -5.203 12.128 -1.156) 13.248 4.495 ( -4.703 7.468 -1.658) 8.980 4.580 ( -8.628 1.338 -4.501) 9.823 4.661 ( 5.966 4.528 2.356) 7.852 4.670 ( 1.931 6.473 -6.568) 9.422 4.740 ( -3.540 5.951 -2.157) 7.252 4.800 ( -3.509 3.659 4.003) 6.459 4.899 ( 1.288 9.324 -2.276) 9.684 4.955 ( 0.365 10.048 -1.826) 10.219 5.036 ( 3.292 0.550 -3.416) 4.776 5.055 ( 0.829 8.344 -4.617) 9.572 5.104 ( 2.753 3.345 -0.747) 4.396 5.164 ( -3.101 -0.066 -1.197) 3.325 5.219 ( 7.847 0.977 1.271) 8.009 5.321 ( -1.552 2.699 -0.319) 3.130 5.415 ( 4.832 2.661 -2.070) 5.892 5.475 ( 1.035 1.176 -1.421) 2.115 5.531 ( -1.671 -2.018 5.105) 5.738 5.537 ( -0.906 1.307 3.281) 3.646 5.617 ( 4.935 -1.291 0.621) 5.139 5.710 ( 0.944 -2.385 0.906) 2.720 5.782 ( 3.497 -4.346 7.396) 9.264 5.839 ( 11.550 2.100 5.352) 12.902 5.897 ( -0.498 -0.817 4.518) 4.618 5.962 ( -1.966 -1.531 4.689) 5.310 6.109 ( 7.406 -4.210 -0.061) 8.519 6.130 ( 6.055 -4.691 -1.152) 7.745 6.186 ( 10.854 -5.484 0.240) 12.163 6.258 ( -0.334 -2.956 1.203) 3.209 6.294 ( 1.069 -0.440 -3.695) 3.871 6.362 ( 3.806 0.529 -4.986) 6.295 6.399 ( -6.251 -2.114 0.471) 6.615 6.453 ( -10.048 -2.084 -2.959) 10.680 6.486 ( -7.944 -2.422 -4.315) 9.359 6.544 ( -6.650 -0.745 -0.791) 6.738 6.599 ( 0.289 -2.201 -7.030) 7.373 6.688 ( 0.668 1.964 -2.228) 3.044 6.770 ( -0.181 2.803 -2.485) 3.751 6.794 ( -2.075 1.045 -1.737) 2.901 6.900 ( -4.076 -0.641 -2.814) 4.995 6.934 ( -6.000 -0.277 -3.937) 7.181 6.947 ( 0.821 -0.577 1.792) 2.054 7.104 ( -12.601 -2.472 -3.949) 13.435 7.190 ( -1.598 1.778 -2.943) 3.791 7.222 ( -3.373 0.505 -9.887) 10.459 7.283 ( 4.642 4.733 6.971) 9.620 7.385 ( -1.041 1.163 -0.862) 1.783 7.411 ( 1.474 -5.800 -0.484) 6.004 7.494 ( -0.279 -9.667 -2.380) 9.960 7.545 ( -2.590 -1.075 2.531) 3.777 7.608 ( -0.537 1.729 3.937) 4.333 7.626 ( -1.590 -0.593 3.055) 3.494 7.673 ( -2.057 -0.409 3.151) 3.785 7.773 ( 2.452 -1.248 1.504) 3.135 7.826 ( -0.242 -3.378 2.719) 4.343 7.841 ( -1.603 -3.476 -0.050) 3.828 7.875 ( -2.768 -3.026 0.327) 4.115 8.100 ( -0.061 -3.810 1.921) 4.268 8.117 ( -2.649 -4.734 2.865) 6.135 8.263 ( 1.242 -1.916 0.384) 2.315 8.295 ( -2.359 -1.161 -1.696) 3.129 8.355 ( 1.805 -1.470 3.051) 3.837 8.367 ( 3.264 3.674 3.331) 5.937 8.390 ( 4.005 -1.465 3.225) 5.347 8.439 ( 1.317 0.911 1.179) 1.989 8.544 ( -1.370 2.538 4.631) 5.456 8.562 ( -2.850 2.477 2.449) 4.500 8.633 ( 3.922 3.314 -0.038) 5.134 8.683 ( 0.646 -0.331 -1.447) 1.618 8.758 ( 6.499 -0.951 0.932) 6.634 8.833 ( -1.133 -3.899 4.470) 6.039 8.923 ( 0.189 -3.559 -1.702) 3.950 8.938 ( -2.321 -3.822 0.036) 4.472 9.006 ( 4.293 -3.056 -4.992) 7.259 9.026 ( 8.618 -3.352 -3.147) 9.768 9.087 ( -4.265 -5.636 -1.550) 7.236 9.196 ( -5.958 -2.925 -1.684) 6.847 9.375 ( 5.381 -1.679 2.048) 5.998 9.425 ( -2.253 -5.792 1.969) 6.519 9.453 ( 0.674 -6.771 0.202) 6.807 9.478 ( -1.243 -4.784 -0.788) 5.005 9.792 ( 9.049 0.849 2.714) 9.485 9.846 ( 2.730 -1.286 3.020) 4.270 9.905 ( -2.501 -0.074 2.068) 3.246 9.929 ( 3.170 -1.445 -2.612) 4.354 10.011 ( 0.747 -1.578 -4.942) 5.242 10.048 ( -6.042 5.049 1.371) 7.992 10.109 ( 0.309 -3.776 -2.607) 4.599 10.123 ( -0.627 -1.910 0.201) 2.021 10.368 ( 9.241 3.158 -0.426) 9.775 10.425 ( 3.304 -1.384 -1.738) 3.981 10.478 ( -2.194 -2.567 2.482) 4.191 10.572 ( -10.751 1.759 -3.868) 11.561 10.685 ( 0.364 -5.476 -1.154) 5.608 10.718 ( -1.117 -3.031 0.839) 3.338 10.765 ( -0.298 -6.098 -3.188) 6.888 10.804 ( -1.400 -4.553 -3.549) 5.940 10.905 ( 0.383 -9.866 0.737) 9.901 10.954 ( -3.029 -5.596 1.422) 6.521 11.010 ( 3.013 -11.413 -3.746) 12.384 11.098 ( -4.708 -7.339 -4.825) 9.966 11.256 ( 0.625 1.819 4.846) 5.214 11.313 ( -4.638 -0.255 5.215) 6.984 11.415 ( 6.979 0.086 -0.932) 7.041 11.492 ( -0.268 2.559 1.920) 3.211 11.661 ( 5.049 -9.557 4.584) 11.741 11.799 ( -8.182 -11.278 11.210) 17.883 12.063 ( 14.100 -3.045 -7.859) 16.426 12.273 ( -1.308 0.716 -6.828) 6.989 12.427 ( 1.348 -4.741 -4.266) 6.519 12.537 ( 4.367 -7.169 -6.604) 10.680 12.580 ( -10.044 0.621 2.368) 10.338 12.652 ( -8.236 -4.860 -2.000) 9.770 13.200 ( 6.154 6.137 9.275) 12.710 13.282 ( -2.233 6.446 8.111) 10.598 13.536 ( 5.432 3.911 -3.062) 7.360 13.618 ( 2.660 2.453 -3.260) 4.871 13.661 ( 5.610 0.425 -0.910) 5.700 13.843 ( 6.523 1.072 0.661) 6.643 13.859 ( -9.636 6.129 5.081) 12.499 14.070 ( -11.114 5.851 -0.543) 12.572 14.371 ( 6.537 -5.764 -0.391) 8.724 14.440 ( 6.890 3.243 -2.775) 8.105 14.471 ( -1.892 -2.851 0.548) 3.465 14.648 ( -12.607 3.092 -7.357) 14.921 18.601 ( 6.900 1.235 1.655) 7.202 18.694 ( 6.168 -0.313 -2.395) 6.624 18.735 ( -4.904 0.164 1.408) 5.105 18.826 ( -5.783 -0.913 -1.629) 6.077 19.024 ( 1.379 0.447 1.345) 1.977 19.049 ( -0.518 -1.301 1.079) 1.768 19.069 ( 0.379 4.682 -0.178) 4.700 19.104 ( -2.358 2.430 -0.551) 3.430 19.478 ( 7.304 -6.542 4.139) 10.643 19.500 ( 5.920 -5.929 4.458) 9.491 19.786 ( -6.458 -9.111 -2.654) 11.478 19.808 ( -7.857 -8.046 -2.510) 11.523 20.889 ( 2.623 -0.009 2.113) 3.368 20.928 ( -1.445 -0.959 2.003) 2.650 21.002 ( 1.268 -0.407 -2.550) 2.877 21.029 ( -1.492 -1.048 -2.113) 2.791 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 13.391 11.787) 17.840 2.141 ( 0.000 11.869 16.285) 20.152 2.526 ( 0.000 5.225 9.752) 11.063 2.732 ( 0.000 5.913 8.316) 10.204 2.849 ( 0.000 2.985 -3.251) 4.414 2.924 ( 0.000 10.037 -22.526) 24.661 3.042 ( 0.000 6.871 -7.246) 9.986 3.112 ( 0.000 -0.754 -11.901) 11.925 3.255 ( 0.000 4.570 -13.645) 14.390 3.305 ( 0.000 -7.285 6.384) 9.687 3.315 ( 0.000 16.758 -9.534) 19.280 3.554 ( 0.000 12.020 3.018) 12.393 3.643 ( 0.000 8.557 0.747) 8.590 3.683 ( 0.000 3.763 7.007) 7.954 3.736 ( 0.000 11.515 0.708) 11.536 3.742 ( 0.000 0.747 -11.147) 11.172 3.782 ( 0.000 8.387 1.066) 8.455 3.875 ( 0.000 4.269 5.947) 7.320 4.069 ( 0.000 7.707 1.410) 7.835 4.106 ( 0.000 2.336 2.314) 3.288 4.152 ( 0.000 17.044 -4.739) 17.691 4.272 ( 0.000 -3.031 2.512) 3.936 4.326 ( 0.000 -8.809 9.048) 12.628 4.376 ( 0.000 9.277 5.234) 10.652 4.388 ( 0.000 -13.712 -0.222) 13.714 4.475 ( 0.000 16.364 4.507) 16.973 4.553 ( 0.000 14.064 1.154) 14.111 4.565 ( 0.000 -2.730 -2.370) 3.615 4.569 ( 0.000 11.169 4.687) 12.112 4.637 ( 0.000 -0.205 -1.318) 1.333 4.674 ( 0.000 23.983 5.062) 24.512 4.781 ( 0.000 -0.533 4.746) 4.776 4.827 ( 0.000 -1.074 1.217) 1.623 4.836 ( 0.000 12.932 -0.090) 12.932 5.002 ( 0.000 12.670 3.686) 13.195 5.063 ( 0.000 -1.075 -0.101) 1.080 5.079 ( 0.000 16.263 3.994) 16.746 5.110 ( 0.000 0.894 2.388) 2.550 5.160 ( 0.000 10.292 1.424) 10.390 5.193 ( 0.000 -3.179 6.089) 6.869 5.247 ( 0.000 9.391 0.082) 9.392 5.361 ( 0.000 0.143 1.772) 1.778 5.395 ( 0.000 11.115 -2.389) 11.369 5.397 ( 0.000 -5.587 2.948) 6.317 5.420 ( 0.000 13.067 -0.386) 13.073 5.520 ( 0.000 1.167 -9.396) 9.468 5.534 ( 0.000 7.193 -6.236) 9.520 5.675 ( 0.000 -11.620 -5.542) 12.874 5.778 ( 0.000 10.104 -6.783) 12.170 5.806 ( 0.000 -3.274 -7.242) 7.948 5.843 ( 0.000 8.915 6.468) 11.014 5.907 ( 0.000 8.035 5.628) 9.810 5.962 ( 0.000 -10.601 4.035) 11.343 6.029 ( 0.000 -4.081 4.966) 6.428 6.052 ( 0.000 5.283 6.301) 8.223 6.151 ( 0.000 8.813 -3.141) 9.356 6.356 ( 0.000 -0.160 -11.879) 11.880 6.390 ( 0.000 9.377 -5.126) 10.687 6.441 ( 0.000 2.089 -9.570) 9.795 6.480 ( 0.000 -8.746 -10.374) 13.569 6.575 ( 0.000 7.187 -2.238) 7.527 6.631 ( 0.000 1.005 -4.806) 4.910 6.661 ( 0.000 -13.192 -1.575) 13.286 6.716 ( 0.000 -16.888 2.877) 17.131 6.854 ( 0.000 -10.757 -3.380) 11.275 6.858 ( 0.000 3.513 1.770) 3.933 6.903 ( 0.000 -12.563 -3.827) 13.133 6.951 ( 0.000 7.663 -3.294) 8.341 7.079 ( 0.000 -13.118 7.221) 14.974 7.154 ( 0.000 -4.155 3.477) 5.418 7.224 ( 0.000 4.472 -7.764) 8.960 7.264 ( 0.000 2.430 -8.101) 8.458 7.269 ( 0.000 -12.810 -0.710) 12.830 7.349 ( 0.000 0.620 12.564) 12.579 7.413 ( 0.000 -14.959 -1.685) 15.054 7.440 ( 0.000 9.519 5.763) 11.127 7.496 ( 0.000 -7.217 9.667) 12.064 7.554 ( 0.000 -7.189 3.144) 7.846 7.592 ( 0.000 -5.777 -5.909) 8.264 7.686 ( 0.000 7.612 9.375) 12.076 7.801 ( 0.000 -0.612 -0.730) 0.953 7.824 ( 0.000 -0.763 -1.946) 2.090 7.867 ( 0.000 -16.644 -4.953) 17.365 7.960 ( 0.000 -5.325 -6.821) 8.653 7.969 ( 0.000 -5.129 9.543) 10.834 8.096 ( 0.000 -1.829 2.755) 3.307 8.165 ( 0.000 5.908 -0.952) 5.984 8.193 ( 0.000 5.946 -7.848) 9.846 8.244 ( 0.000 -1.072 1.681) 1.994 8.314 ( 0.000 -3.428 4.280) 5.483 8.363 ( 0.000 -2.382 2.559) 3.496 8.428 ( 0.000 2.960 1.036) 3.136 8.484 ( 0.000 -0.842 -1.007) 1.313 8.535 ( 0.000 -10.007 5.765) 11.549 8.546 ( 0.000 -5.632 -0.295) 5.640 8.692 ( 0.000 1.917 5.424) 5.752 8.703 ( 0.000 6.367 4.177) 7.615 8.815 ( 0.000 2.195 2.217) 3.120 8.890 ( 0.000 3.156 -2.138) 3.812 8.903 ( 0.000 6.410 1.573) 6.600 8.994 ( 0.000 -0.864 -4.001) 4.093 9.019 ( 0.000 -6.319 0.603) 6.348 9.064 ( 0.000 7.335 -4.240) 8.472 9.164 ( 0.000 -8.098 -6.977) 10.689 9.222 ( 0.000 -0.075 4.472) 4.472 9.277 ( 0.000 -6.114 -0.553) 6.139 9.308 ( 0.000 -2.329 0.650) 2.418 9.381 ( 0.000 -2.783 -1.190) 3.027 9.525 ( 0.000 2.735 9.640) 10.021 9.708 ( 0.000 -4.190 0.786) 4.263 9.802 ( 0.000 -0.688 -1.340) 1.506 9.811 ( 0.000 -4.668 -3.571) 5.877 9.899 ( 0.000 -0.217 0.914) 0.940 9.972 ( 0.000 -3.417 2.318) 4.129 10.127 ( 0.000 -2.749 -6.704) 7.246 10.147 ( 0.000 -3.024 -8.454) 8.979 10.299 ( 0.000 5.176 4.623) 6.940 10.482 ( 0.000 -1.436 6.588) 6.742 10.491 ( 0.000 6.870 7.515) 10.182 10.586 ( 0.000 -5.155 -4.477) 6.828 10.621 ( 0.000 -6.869 -1.193) 6.972 10.679 ( 0.000 -5.818 -0.252) 5.824 10.806 ( 0.000 2.288 -7.361) 7.708 10.825 ( 0.000 -7.947 3.380) 8.635 10.856 ( 0.000 -6.856 -1.167) 6.954 10.861 ( 0.000 3.937 -9.098) 9.913 10.936 ( 0.000 -2.624 -1.925) 3.254 10.985 ( 0.000 -4.832 -4.705) 6.744 11.247 ( 0.000 -4.713 1.187) 4.860 11.303 ( 0.000 -3.235 8.854) 9.426 11.373 ( 0.000 6.700 -5.953) 8.963 11.550 ( 0.000 -10.841 8.360) 13.690 11.553 ( 0.000 9.857 11.612) 15.231 11.813 ( 0.000 14.067 6.507) 15.499 11.947 ( 0.000 -2.957 -9.866) 10.300 12.097 ( 0.000 14.109 -1.115) 14.153 12.258 ( 0.000 -7.059 -13.315) 15.071 12.443 ( 0.000 -7.399 -11.828) 13.951 12.723 ( 0.000 -17.873 10.623) 20.791 12.988 ( 0.000 -17.022 -1.484) 17.086 13.007 ( 0.000 3.190 10.980) 11.434 13.084 ( 0.000 -0.850 9.533) 9.571 13.417 ( 0.000 7.234 -7.826) 10.657 13.447 ( 0.000 4.015 -5.660) 6.939 13.684 ( 0.000 5.583 3.867) 6.791 13.874 ( 0.000 5.965 -4.796) 7.654 13.959 ( 0.000 -10.200 3.093) 10.658 14.145 ( 0.000 -5.299 -5.461) 7.609 14.354 ( 0.000 4.671 7.051) 8.458 14.439 ( 0.000 -1.475 10.775) 10.875 14.633 ( 0.000 11.290 -5.037) 12.363 14.949 ( 0.000 -4.689 -11.837) 12.732 18.515 ( 0.000 5.620 2.434) 6.125 18.598 ( 0.000 6.161 -1.140) 6.266 18.768 ( 0.000 -5.822 3.479) 6.782 18.861 ( 0.000 -5.682 0.266) 5.688 19.014 ( 0.000 0.790 1.594) 1.779 19.064 ( 0.000 -1.871 2.747) 3.324 19.172 ( 0.000 -1.913 -2.351) 3.031 19.224 ( 0.000 -0.498 -3.919) 3.951 19.275 ( 0.000 8.549 0.789) 8.586 19.307 ( 0.000 8.349 -0.002) 8.349 19.730 ( 0.000 -12.940 0.900) 12.971 19.790 ( 0.000 -12.453 -0.723) 12.474 20.839 ( 0.000 1.041 2.622) 2.821 20.901 ( 0.000 -2.071 2.470) 3.223 20.984 ( 0.000 0.236 -3.374) 3.382 21.025 ( 0.000 -1.643 -2.609) 3.084 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 3.981 11.853 8.152) 14.926 2.271 ( 5.477 0.770 13.770) 14.839 2.566 ( 5.107 11.589 3.791) 13.219 2.745 ( 1.168 7.591 3.920) 8.623 2.783 ( -3.615 9.409 -10.729) 14.721 2.882 ( 0.102 2.359 -3.502) 4.223 3.007 ( -2.417 3.101 -3.622) 5.346 3.159 ( 0.899 2.789 -2.018) 3.558 3.251 ( -2.403 2.876 -3.723) 5.283 3.307 ( -3.559 7.319 0.924) 8.190 3.376 ( 4.862 5.573 -9.718) 12.212 3.436 ( -3.961 8.906 -0.247) 9.751 3.538 ( -8.948 2.708 3.778) 10.084 3.611 ( -7.410 9.979 -2.796) 12.740 3.735 ( 0.197 10.163 0.851) 10.200 3.785 ( -10.490 9.990 5.636) 15.543 3.855 ( 3.055 4.106 1.944) 5.475 3.867 ( 0.766 8.351 -0.524) 8.402 3.967 ( 8.571 4.539 -6.668) 11.770 4.066 ( -4.908 11.187 -4.887) 13.158 4.133 ( 2.585 5.538 2.470) 6.592 4.290 ( -2.940 -1.035 2.721) 4.138 4.297 ( -4.385 3.976 1.845) 6.199 4.356 ( -1.525 7.789 0.048) 7.937 4.380 ( 2.601 0.547 -2.105) 3.390 4.456 ( -1.856 5.306 2.093) 5.998 4.491 ( -2.046 6.994 -0.785) 7.330 4.580 ( 0.040 7.001 -1.475) 7.154 4.635 ( 6.186 6.244 10.171) 13.442 4.679 ( 7.150 1.017 -0.242) 7.226 4.733 ( 1.247 6.228 4.472) 7.768 4.840 ( -1.192 5.133 0.020) 5.270 4.883 ( 3.150 5.117 1.456) 6.183 4.932 ( -4.505 7.751 6.427) 11.031 4.988 ( 0.685 6.018 3.426) 6.959 5.028 ( 3.196 11.721 2.056) 12.322 5.074 ( 4.236 1.711 -1.139) 4.709 5.109 ( -0.661 2.436 1.841) 3.124 5.145 ( 1.653 9.472 0.195) 9.617 5.258 ( 6.203 4.653 -0.004) 7.754 5.299 ( -0.440 5.301 -1.277) 5.470 5.347 ( 7.486 1.822 0.179) 7.707 5.391 ( -0.727 10.579 -4.275) 11.433 5.457 ( -2.031 5.150 -6.467) 8.512 5.497 ( 3.581 0.921 1.242) 3.900 5.553 ( 7.967 1.237 4.626) 9.295 5.608 ( 11.551 2.265 -2.979) 12.142 5.687 ( -2.180 1.888 3.577) 4.595 5.745 ( -2.761 1.906 -7.315) 8.048 5.775 ( -0.817 5.715 -2.422) 6.261 5.863 ( 0.737 -0.135 3.814) 3.887 5.908 ( 0.950 0.344 5.679) 5.768 5.989 ( 4.606 0.635 0.948) 4.745 6.009 ( -0.966 0.497 3.115) 3.299 6.058 ( -0.245 3.435 4.755) 5.871 6.222 ( 4.548 4.736 -3.889) 7.631 6.307 ( -0.536 -1.379 -7.060) 7.214 6.351 ( -4.892 -1.160 -2.168) 5.476 6.403 ( -2.299 5.723 -3.726) 7.206 6.477 ( -2.510 -5.170 -10.081) 11.604 6.579 ( -0.344 4.915 -5.954) 7.728 6.593 ( -3.587 -5.047 -5.350) 8.183 6.670 ( -4.535 -9.247 3.252) 10.801 6.712 ( 0.401 -3.819 -2.983) 4.863 6.822 ( 3.540 -6.267 -0.961) 7.262 6.847 ( -2.647 -8.887 -0.031) 9.273 6.892 ( -1.792 -0.000 -1.922) 2.628 6.952 ( 0.075 -6.303 -1.370) 6.450 7.088 ( -1.986 -4.926 1.350) 5.481 7.124 ( -12.148 11.566 5.274) 17.583 7.138 ( -3.573 -2.590 -5.802) 7.289 7.168 ( -2.736 -8.922 0.328) 9.338 7.251 ( -0.930 -7.781 -2.243) 8.151 7.313 ( 3.809 1.189 4.875) 6.300 7.418 ( 0.479 -5.722 4.416) 7.243 7.477 ( -4.304 -10.354 -2.426) 11.473 7.498 ( -4.303 -9.619 -0.893) 10.575 7.586 ( 5.529 1.984 1.570) 6.080 7.597 ( -2.102 -2.133 0.400) 3.021 7.695 ( -7.520 1.814 -3.928) 8.676 7.707 ( -1.147 3.948 6.061) 7.324 7.790 ( -2.002 -5.228 3.986) 6.872 7.828 ( -1.298 -4.481 -2.066) 5.102 7.939 ( 2.711 -4.298 -2.636) 5.725 7.989 ( -4.282 -1.374 1.058) 4.620 8.085 ( -1.595 -1.398 5.980) 6.345 8.089 ( 2.500 -1.693 2.655) 4.021 8.187 ( -2.420 -6.636 -1.385) 7.198 8.283 ( 0.523 -0.611 -0.755) 1.103 8.330 ( -6.248 -6.138 -1.076) 8.824 8.364 ( -0.194 -5.598 3.120) 6.412 8.408 ( 2.105 2.406 -1.998) 3.770 8.502 ( 9.917 3.053 1.580) 10.496 8.574 ( 5.344 -0.680 7.267) 9.046 8.640 ( 0.730 -0.957 1.109) 1.636 8.698 ( 0.044 2.438 3.276) 4.084 8.726 ( 3.140 5.327 0.889) 6.247 8.791 ( 2.887 -4.433 -1.238) 5.433 8.887 ( -1.131 3.383 -2.183) 4.182 8.900 ( 0.086 2.401 -2.078) 3.177 8.971 ( -1.561 -0.219 -0.070) 1.578 8.976 ( -2.433 0.779 -0.368) 2.581 9.088 ( -2.869 0.069 1.434) 3.208 9.190 ( -1.243 -9.997 -2.005) 10.271 9.235 ( 0.602 -1.423 -0.219) 1.560 9.238 ( 1.090 -1.752 1.219) 2.396 9.334 ( 1.123 -7.267 1.267) 7.462 9.394 ( -1.540 -4.219 -1.561) 4.755 9.618 ( 11.098 2.494 6.368) 13.036 9.745 ( 2.828 -2.766 1.647) 4.286 9.831 ( 3.576 -0.164 -2.430) 4.327 9.863 ( 4.181 -4.677 -1.367) 6.421 9.934 ( 3.657 1.393 0.085) 3.914 10.051 ( -2.196 -2.264 -8.200) 8.785 10.056 ( 5.641 -1.673 1.225) 6.011 10.227 ( 3.610 -1.115 -6.155) 7.222 10.271 ( -1.499 2.978 5.191) 6.170 10.436 ( -4.075 4.353 7.076) 9.254 10.483 ( -0.776 -0.411 4.066) 4.159 10.561 ( -1.825 -5.178 -4.065) 6.831 10.615 ( -2.292 -5.156 -2.387) 6.126 10.673 ( 0.593 -4.843 1.351) 5.062 10.772 ( -4.877 -6.156 -0.072) 7.854 10.775 ( -2.797 0.382 -4.799) 5.568 10.817 ( -2.716 -3.711 -0.804) 4.669 10.854 ( -1.114 0.568 -5.325) 5.470 10.940 ( 0.395 -0.753 -3.379) 3.484 11.034 ( 1.585 -5.001 -4.375) 6.831 11.211 ( 1.196 -3.078 3.957) 5.154 11.351 ( -0.051 -0.134 3.180) 3.183 11.380 ( 2.545 2.970 -0.335) 3.926 11.529 ( -0.330 3.724 5.808) 6.907 11.636 ( 5.372 -10.377 8.413) 14.399 11.719 ( -4.793 11.858 1.967) 12.941 11.941 ( -5.097 8.129 0.119) 9.596 12.171 ( 9.705 4.123 -3.643) 11.156 12.283 ( 2.007 -7.971 -10.696) 13.490 12.388 ( -5.314 -7.107 -11.832) 14.790 12.687 ( -4.404 -11.345 6.037) 13.585 12.763 ( -13.219 -8.571 3.331) 16.103 13.118 ( 7.149 -0.846 7.296) 10.249 13.233 ( 10.054 -1.385 8.418) 13.186 13.420 ( 2.998 0.984 -5.793) 6.597 13.600 ( 11.765 6.102 -6.632) 14.821 13.693 ( 0.133 4.740 1.363) 4.934 13.785 ( -5.742 0.766 -2.245) 6.213 14.019 ( 3.887 -6.966 2.548) 8.374 14.182 ( -0.887 -2.715 -0.291) 2.871 14.249 ( -4.127 2.540 5.182) 7.095 14.466 ( 0.130 0.068 7.254) 7.255 14.584 ( -4.481 10.330 -5.404) 12.490 14.864 ( -8.346 -3.142 -10.234) 13.574 18.550 ( 3.385 4.153 2.282) 5.824 18.633 ( 3.427 4.631 -1.447) 5.940 18.757 ( -1.349 -4.502 3.254) 5.716 18.842 ( -1.870 -4.598 -0.490) 4.988 19.015 ( 0.131 -0.006 1.537) 1.542 19.047 ( -0.468 0.417 2.311) 2.395 19.205 ( 1.263 -1.146 -2.480) 3.010 19.237 ( -0.749 6.192 -2.403) 6.684 19.281 ( 2.307 3.640 1.181) 4.469 19.318 ( 2.727 2.204 0.626) 3.562 19.683 ( -4.692 -11.975 0.421) 12.868 19.740 ( -5.021 -11.412 -1.015) 12.509 20.855 ( 1.553 0.720 2.340) 2.899 20.905 ( 0.346 -1.800 2.245) 2.898 20.985 ( 0.169 0.082 -3.036) 3.042 21.020 ( -0.535 -1.519 -2.430) 2.916 ======================= Grid point 62 (27/45) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 5.343 2.936 7.301) 9.512 2.288 ( -2.304 -2.548 9.268) 9.885 2.669 ( 4.246 9.320 -12.540) 16.190 2.708 ( -1.628 3.183 -8.451) 9.176 2.852 ( 4.670 8.658 4.794) 10.944 2.944 ( 5.630 10.671 10.230) 15.818 3.020 ( 2.497 4.117 1.801) 5.141 3.077 ( -8.034 8.108 2.056) 11.598 3.240 ( 4.307 6.200 -2.408) 7.924 3.251 ( -0.286 4.399 0.997) 4.520 3.306 ( -5.480 7.342 1.700) 9.318 3.380 ( -2.743 5.953 2.013) 6.857 3.417 ( -5.643 7.792 2.471) 9.933 3.471 ( -16.641 10.865 1.842) 19.959 3.598 ( 6.347 11.563 -9.733) 16.392 3.738 ( -6.752 6.614 -1.829) 9.627 3.884 ( 5.763 3.515 4.728) 8.241 3.920 ( 0.524 4.497 1.614) 4.806 4.082 ( 3.914 3.074 -1.871) 5.317 4.116 ( -1.323 7.943 -2.247) 8.360 4.170 ( 3.262 12.188 -3.199) 13.016 4.215 ( 2.983 5.072 -2.790) 6.512 4.293 ( -5.004 2.616 -1.222) 5.777 4.357 ( 2.980 1.290 -3.876) 5.056 4.365 ( -0.309 6.369 0.272) 6.382 4.455 ( 2.771 6.617 -2.995) 7.774 4.512 ( 2.720 9.612 0.131) 9.991 4.595 ( -0.531 11.359 2.356) 11.613 4.640 ( -3.453 7.631 -3.185) 8.961 4.720 ( -6.354 4.117 -1.048) 7.643 4.756 ( 1.856 3.754 2.241) 4.750 4.797 ( 5.195 3.213 -0.442) 6.124 4.874 ( -5.893 6.038 -2.916) 8.926 4.913 ( -3.075 6.198 1.864) 7.166 4.994 ( 4.765 1.440 -0.034) 4.978 5.060 ( 4.174 3.193 7.958) 9.537 5.106 ( 1.413 1.018 4.778) 5.086 5.140 ( -2.943 0.548 -5.115) 5.926 5.209 ( 1.441 12.883 -0.931) 12.996 5.264 ( -2.337 9.504 0.885) 9.827 5.315 ( 2.701 8.799 1.863) 9.391 5.382 ( 2.218 -2.990 0.058) 3.723 5.469 ( 2.853 4.556 -0.907) 5.451 5.497 ( -0.871 1.818 0.330) 2.042 5.571 ( 3.724 5.747 3.548) 7.713 5.623 ( -1.893 2.013 0.355) 2.786 5.680 ( 3.430 -0.755 5.874) 6.844 5.696 ( 1.963 5.931 2.242) 6.637 5.753 ( -0.494 8.440 -1.849) 8.654 5.838 ( 0.005 -2.001 2.499) 3.201 5.930 ( 11.154 3.084 2.131) 11.767 5.973 ( 4.393 -2.043 -0.929) 4.934 6.008 ( 0.632 -2.649 -1.011) 2.905 6.064 ( 1.250 -2.298 0.757) 2.723 6.113 ( 8.199 2.733 2.656) 9.041 6.233 ( -0.918 0.903 0.670) 1.452 6.272 ( -4.384 -2.602 6.796) 8.495 6.305 ( -1.654 2.072 -3.262) 4.203 6.375 ( -5.274 -3.442 -4.402) 7.684 6.409 ( -4.748 -4.562 -7.334) 9.857 6.472 ( 2.018 4.154 -2.992) 5.503 6.598 ( -2.723 1.077 -1.083) 3.122 6.637 ( 5.475 3.612 -7.198) 9.739 6.733 ( 0.110 -3.569 -2.650) 4.447 6.781 ( -7.837 4.580 3.239) 9.637 6.790 ( -3.481 -4.241 -2.790) 6.156 6.886 ( 0.593 -0.064 -3.537) 3.587 6.933 ( -3.477 -2.272 0.456) 4.178 6.984 ( -1.411 2.701 0.533) 3.094 7.000 ( -1.601 -2.686 -0.700) 3.205 7.114 ( 0.721 -13.330 -0.660) 13.366 7.161 ( 1.910 -5.093 -4.855) 7.291 7.212 ( -6.144 -13.660 -3.045) 15.285 7.263 ( -8.975 1.259 -5.193) 10.445 7.339 ( -3.438 -4.176 -3.388) 6.383 7.372 ( -6.663 -4.653 -3.855) 8.995 7.498 ( 7.734 4.426 7.457) 11.619 7.547 ( 4.704 -13.153 4.860) 14.790 7.642 ( -2.217 -2.160 4.054) 5.101 7.644 ( -5.453 -4.046 4.648) 8.229 7.728 ( 4.634 4.246 3.167) 7.038 7.812 ( 2.391 0.591 -2.188) 3.294 7.830 ( 0.948 -0.513 -1.368) 1.742 7.847 ( -7.296 2.447 -1.482) 7.836 7.999 ( 2.072 -2.874 1.095) 3.708 8.037 ( -1.709 -2.348 7.834) 8.355 8.131 ( 0.182 -11.941 -0.359) 11.948 8.155 ( -2.435 -9.436 -3.975) 10.524 8.237 ( 0.932 -8.600 1.860) 8.848 8.279 ( -2.141 -3.849 0.392) 4.422 8.425 ( 5.178 -1.866 3.195) 6.364 8.472 ( 1.451 1.227 1.159) 2.226 8.618 ( 2.869 3.687 5.041) 6.873 8.661 ( 0.026 0.680 2.778) 2.860 8.682 ( 3.265 5.803 4.137) 7.839 8.721 ( 3.959 3.055 2.066) 5.410 8.776 ( 2.694 4.516 0.845) 5.326 8.829 ( 0.193 -5.396 -3.320) 6.338 8.845 ( -4.003 3.584 0.241) 5.379 8.880 ( -3.169 0.423 -2.955) 4.353 8.961 ( 1.261 -1.865 -1.004) 2.465 8.975 ( 2.433 -0.271 -0.942) 2.623 9.022 ( -0.153 -0.216 -2.209) 2.225 9.124 ( -4.785 -3.637 -3.627) 7.019 9.232 ( 0.675 -8.661 3.388) 9.325 9.285 ( -2.395 -7.569 2.020) 8.191 9.330 ( 0.904 -6.058 -0.829) 6.181 9.352 ( -1.006 -7.812 -1.818) 8.083 9.787 ( 4.266 -0.644 1.350) 4.521 9.817 ( 3.545 -1.064 1.292) 3.920 9.890 ( 2.629 -1.495 -2.343) 3.826 9.931 ( -0.252 -2.650 -1.449) 3.031 9.986 ( 3.309 1.166 0.365) 3.527 10.050 ( 4.091 1.671 1.585) 4.695 10.141 ( -1.195 4.499 1.433) 4.870 10.191 ( -1.625 5.152 -0.014) 5.402 10.376 ( 8.705 -2.968 -0.835) 9.235 10.387 ( 0.257 -1.287 1.177) 1.763 10.439 ( -3.476 -2.122 -0.419) 4.094 10.528 ( -5.213 -3.461 -1.919) 6.545 10.566 ( 0.654 -4.428 0.673) 4.526 10.633 ( -5.114 -4.618 0.846) 6.942 10.735 ( -0.053 -0.210 -3.443) 3.450 10.749 ( 2.429 -3.498 0.624) 4.304 10.763 ( -2.674 -0.935 -2.469) 3.757 10.811 ( -3.358 -4.661 0.861) 5.809 10.956 ( 1.750 2.405 -7.816) 8.363 11.004 ( -3.047 -2.631 -7.690) 8.680 11.315 ( 5.713 1.611 5.679) 8.215 11.346 ( -0.069 2.182 4.127) 4.669 11.419 ( 3.602 -1.836 2.296) 4.650 11.522 ( -2.293 -5.271 2.372) 6.218 11.629 ( -1.754 3.898 7.720) 8.824 11.657 ( -5.733 8.596 5.579) 11.742 11.977 ( 10.784 -3.905 -4.977) 12.502 12.200 ( -10.953 -8.778 -11.091) 17.890 12.354 ( 8.058 -1.670 -2.635) 8.640 12.399 ( 7.499 -4.635 -3.499) 9.485 12.527 ( -10.165 -5.782 2.158) 11.892 12.573 ( -8.357 -3.707 0.005) 9.143 13.274 ( 8.499 1.182 4.976) 9.919 13.367 ( 1.285 2.168 6.660) 7.121 13.515 ( 6.338 -2.768 -4.825) 8.433 13.632 ( -5.712 -2.744 -4.564) 7.809 13.706 ( 5.081 3.966 4.069) 7.623 13.878 ( 0.151 3.054 3.382) 4.559 13.946 ( 1.614 1.740 0.160) 2.379 14.139 ( -5.596 1.090 -0.849) 5.764 14.288 ( 6.178 -1.918 2.277) 6.858 14.417 ( -5.484 -0.985 4.689) 7.282 14.548 ( 3.042 5.354 -6.230) 8.760 14.682 ( -9.870 0.046 -7.202) 12.219 18.624 ( 4.193 1.257 2.384) 4.984 18.686 ( -0.769 -0.953 1.156) 1.685 18.736 ( 1.686 0.545 -0.528) 1.849 18.795 ( -3.107 -1.990 -1.739) 4.079 19.030 ( 1.490 0.033 2.544) 2.948 19.049 ( -0.096 1.437 3.056) 3.378 19.191 ( -1.102 5.005 -3.018) 5.947 19.201 ( -2.019 7.619 -2.331) 8.219 19.367 ( 5.519 -3.571 2.744) 7.123 19.400 ( 3.690 -3.484 3.301) 6.054 19.587 ( -3.783 -9.880 -2.022) 10.771 19.626 ( -6.276 -9.372 -2.161) 11.484 20.887 ( 1.602 -0.079 1.878) 2.470 20.906 ( -0.404 -1.043 1.864) 2.174 20.992 ( 0.572 -0.425 -2.421) 2.524 21.006 ( -0.874 -1.085 -2.194) 2.600 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 -0.523 13.598) 13.608 2.220 ( 0.000 0.523 13.598) 13.608 2.758 ( 0.000 -11.167 5.047) 12.254 2.758 ( 0.000 11.167 5.047) 12.254 2.921 ( 0.000 -8.603 -5.801) 10.376 2.921 ( 0.000 8.603 -5.801) 10.376 3.142 ( 0.000 -1.087 -8.765) 8.832 3.142 ( 0.000 1.087 -8.765) 8.832 3.205 ( 0.000 -2.109 -6.204) 6.553 3.205 ( 0.000 2.109 -6.204) 6.553 3.635 ( 0.000 -10.797 -14.134) 17.786 3.635 ( 0.000 10.797 -14.134) 17.786 3.695 ( 0.000 -1.712 3.748) 4.120 3.695 ( 0.000 1.712 3.748) 4.120 3.863 ( 0.000 -5.566 3.926) 6.811 3.863 ( 0.000 5.566 3.926) 6.811 3.909 ( 0.000 -12.893 1.048) 12.936 3.909 ( 0.000 12.893 1.048) 12.936 4.048 ( 0.000 -16.336 -0.176) 16.337 4.048 ( 0.000 16.336 -0.176) 16.337 4.194 ( 0.000 -4.440 3.324) 5.547 4.194 ( 0.000 4.440 3.324) 5.547 4.346 ( 0.000 -0.249 6.913) 6.918 4.346 ( 0.000 0.249 6.913) 6.918 4.463 ( 0.000 -4.980 0.847) 5.052 4.463 ( 0.000 4.980 0.847) 5.052 4.655 ( 0.000 -1.774 -0.124) 1.779 4.655 ( 0.000 1.774 -0.124) 1.779 4.742 ( 0.000 -5.094 -2.080) 5.503 4.742 ( 0.000 5.094 -2.080) 5.503 4.762 ( 0.000 -4.065 6.066) 7.302 4.762 ( 0.000 4.065 6.066) 7.302 4.997 ( 0.000 -6.101 3.324) 6.948 4.997 ( 0.000 6.101 3.324) 6.948 5.064 ( 0.000 -8.680 4.612) 9.829 5.064 ( 0.000 8.680 4.612) 9.829 5.148 ( 0.000 -7.245 -1.971) 7.508 5.148 ( 0.000 7.245 -1.971) 7.508 5.282 ( 0.000 -2.781 3.543) 4.504 5.282 ( 0.000 2.781 3.543) 4.504 5.354 ( 0.000 -4.165 1.131) 4.316 5.354 ( 0.000 4.165 1.131) 4.316 5.426 ( 0.000 -7.563 -1.694) 7.751 5.426 ( 0.000 7.563 -1.694) 7.751 5.565 ( 0.000 -6.997 -6.479) 9.536 5.565 ( 0.000 6.997 -6.479) 9.536 5.674 ( 0.000 -9.653 0.780) 9.685 5.674 ( 0.000 9.653 0.780) 9.685 5.730 ( 0.000 -7.721 3.841) 8.624 5.730 ( 0.000 7.721 3.841) 8.624 5.903 ( 0.000 -10.122 4.173) 10.948 5.903 ( 0.000 10.122 4.173) 10.948 6.159 ( 0.000 -17.420 -5.427) 18.245 6.159 ( 0.000 17.420 -5.427) 18.245 6.231 ( 0.000 -15.328 3.272) 15.674 6.231 ( 0.000 15.328 3.272) 15.674 6.303 ( 0.000 -21.320 4.360) 21.762 6.303 ( 0.000 21.320 4.360) 21.762 6.441 ( 0.000 -13.772 -4.663) 14.540 6.441 ( 0.000 13.772 -4.663) 14.540 6.493 ( 0.000 -9.515 -11.603) 15.006 6.493 ( 0.000 9.515 -11.603) 15.006 6.663 ( 0.000 -9.558 -9.432) 13.428 6.663 ( 0.000 9.558 -9.432) 13.428 6.812 ( 0.000 -20.549 -1.013) 20.574 6.812 ( 0.000 20.549 -1.013) 20.574 6.860 ( 0.000 -18.627 -2.837) 18.842 6.860 ( 0.000 18.627 -2.837) 18.842 6.971 ( 0.000 -8.494 2.584) 8.878 6.971 ( 0.000 8.494 2.584) 8.878 7.079 ( 0.000 -5.904 -1.966) 6.222 7.079 ( 0.000 5.904 -1.966) 6.222 7.272 ( 0.000 -4.164 -4.194) 5.910 7.272 ( 0.000 4.164 -4.194) 5.910 7.433 ( 0.000 -11.849 -10.924) 16.116 7.433 ( 0.000 11.849 -10.924) 16.116 7.540 ( 0.000 -2.531 12.333) 12.590 7.540 ( 0.000 2.531 12.333) 12.590 7.648 ( 0.000 -6.628 4.215) 7.855 7.648 ( 0.000 6.628 4.215) 7.855 7.754 ( 0.000 -5.029 3.983) 6.415 7.754 ( 0.000 5.029 3.983) 6.415 7.840 ( 0.000 -5.939 3.869) 7.088 7.840 ( 0.000 5.939 3.869) 7.088 8.039 ( 0.000 -5.098 2.696) 5.767 8.039 ( 0.000 5.098 2.696) 5.767 8.255 ( 0.000 -0.012 5.912) 5.912 8.255 ( 0.000 0.012 5.912) 5.912 8.301 ( 0.000 -3.363 -0.821) 3.462 8.301 ( 0.000 3.363 -0.821) 3.462 8.354 ( 0.000 -4.003 0.398) 4.023 8.354 ( 0.000 4.003 0.398) 4.023 8.395 ( 0.000 -0.990 -0.417) 1.074 8.395 ( 0.000 0.990 -0.417) 1.074 8.594 ( 0.000 -8.736 -1.883) 8.937 8.594 ( 0.000 8.736 -1.883) 8.937 8.830 ( 0.000 -4.289 2.685) 5.060 8.830 ( 0.000 4.289 2.685) 5.060 8.895 ( 0.000 -6.615 3.330) 7.406 8.895 ( 0.000 6.615 3.330) 7.406 9.017 ( 0.000 -4.719 -3.207) 5.706 9.017 ( 0.000 4.719 -3.207) 5.706 9.104 ( 0.000 -6.610 -3.971) 7.711 9.104 ( 0.000 6.610 -3.971) 7.711 9.204 ( 0.000 -2.596 0.201) 2.603 9.204 ( 0.000 2.596 0.201) 2.603 9.318 ( 0.000 -2.581 1.089) 2.801 9.318 ( 0.000 2.581 1.089) 2.801 9.626 ( 0.000 -4.202 3.853) 5.701 9.626 ( 0.000 4.202 3.853) 5.701 9.763 ( 0.000 -0.419 -0.007) 0.419 9.763 ( 0.000 0.419 -0.007) 0.419 9.932 ( 0.000 -1.701 -1.044) 1.996 9.932 ( 0.000 1.701 -1.044) 1.996 10.105 ( 0.000 -0.318 -8.717) 8.723 10.105 ( 0.000 0.318 -8.717) 8.723 10.414 ( 0.000 -5.522 2.349) 6.001 10.414 ( 0.000 5.522 2.349) 6.001 10.539 ( 0.000 -0.609 -2.899) 2.962 10.539 ( 0.000 0.609 -2.899) 2.962 10.610 ( 0.000 -3.099 5.551) 6.358 10.610 ( 0.000 3.099 5.551) 6.358 10.739 ( 0.000 -1.332 4.584) 4.773 10.739 ( 0.000 1.332 4.584) 4.773 10.865 ( 0.000 -3.268 -8.105) 8.739 10.865 ( 0.000 3.268 -8.105) 8.739 10.950 ( 0.000 -0.233 -5.746) 5.751 10.950 ( 0.000 0.233 -5.746) 5.751 11.207 ( 0.000 -2.397 7.469) 7.844 11.207 ( 0.000 2.397 7.469) 7.844 11.432 ( 0.000 -0.529 4.786) 4.815 11.432 ( 0.000 0.529 4.786) 4.815 11.769 ( 0.000 -11.548 -2.000) 11.720 11.769 ( 0.000 11.548 -2.000) 11.720 12.194 ( 0.000 -8.125 -8.622) 11.847 12.194 ( 0.000 8.125 -8.622) 11.847 12.311 ( 0.000 -12.813 3.835) 13.375 12.311 ( 0.000 12.813 3.835) 13.375 12.560 ( 0.000 -21.319 -4.068) 21.704 12.560 ( 0.000 21.319 -4.068) 21.704 13.064 ( 0.000 -1.367 11.895) 11.974 13.064 ( 0.000 1.367 11.895) 11.974 13.503 ( 0.000 -0.004 -8.707) 8.707 13.503 ( 0.000 0.004 -8.707) 8.707 13.782 ( 0.000 -5.770 5.285) 7.825 13.782 ( 0.000 5.770 5.285) 7.825 14.021 ( 0.000 -6.034 -6.618) 8.955 14.021 ( 0.000 6.034 -6.618) 8.955 14.414 ( 0.000 -0.745 10.477) 10.503 14.414 ( 0.000 0.745 10.477) 10.503 14.824 ( 0.000 -7.554 -7.880) 10.916 14.824 ( 0.000 7.554 -7.880) 10.916 18.640 ( 0.000 -6.444 3.157) 7.176 18.640 ( 0.000 6.444 3.157) 7.176 18.731 ( 0.000 -6.693 -0.859) 6.748 18.731 ( 0.000 6.693 -0.859) 6.748 19.032 ( 0.000 -0.935 1.939) 2.152 19.032 ( 0.000 0.935 1.939) 2.152 19.176 ( 0.000 -1.643 -3.179) 3.579 19.176 ( 0.000 1.643 -3.179) 3.579 19.480 ( 0.000 -11.285 1.042) 11.333 19.480 ( 0.000 11.285 1.042) 11.333 19.537 ( 0.000 -12.180 -0.680) 12.199 19.537 ( 0.000 12.180 -0.680) 12.199 20.864 ( 0.000 -1.490 2.533) 2.938 20.864 ( 0.000 1.490 2.533) 2.938 20.996 ( 0.000 -1.037 -2.900) 3.080 20.996 ( 0.000 1.037 -2.900) 3.080 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.646 0.000 10.192) 10.213 2.255 ( 0.980 0.000 12.920) 12.957 2.796 ( 1.878 0.000 -5.618) 5.923 2.800 ( -3.273 -0.000 -9.524) 10.070 2.893 ( -2.632 -0.000 -6.885) 7.371 2.901 ( 9.324 0.000 7.688) 12.085 3.073 ( -0.087 0.000 -1.418) 1.421 3.091 ( -2.256 -0.000 2.701) 3.519 3.281 ( 6.119 -0.000 10.204) 11.898 3.298 ( 0.279 0.000 -15.720) 15.722 3.515 ( -10.545 -0.000 1.940) 10.722 3.535 ( -15.484 0.000 9.622) 18.230 3.589 ( 2.298 0.000 -7.988) 8.312 3.725 ( -3.159 0.000 -10.215) 10.693 3.803 ( -1.041 0.000 -1.585) 1.896 3.873 ( -3.623 0.000 1.121) 3.793 4.010 ( 4.473 0.000 -9.278) 10.300 4.025 ( 3.227 0.000 -1.383) 3.511 4.028 ( 6.052 -0.000 -3.090) 6.795 4.064 ( -3.110 0.000 6.670) 7.359 4.103 ( -2.581 -0.000 1.625) 3.050 4.190 ( 3.256 0.000 -2.031) 3.838 4.290 ( -0.296 0.000 10.625) 10.629 4.408 ( -1.874 0.000 -3.704) 4.151 4.478 ( -0.715 -0.000 -8.885) 8.913 4.495 ( 6.570 0.000 6.374) 9.154 4.630 ( -3.360 0.000 3.960) 5.194 4.641 ( -0.961 0.000 -3.945) 4.060 4.687 ( 0.802 0.000 4.222) 4.298 4.700 ( 4.631 0.000 6.307) 7.825 4.818 ( -0.506 0.000 0.604) 0.788 4.892 ( 3.523 0.000 5.911) 6.882 4.955 ( -5.138 0.000 8.343) 9.798 5.025 ( 2.263 0.000 1.724) 2.845 5.033 ( 2.865 -0.000 3.641) 4.633 5.058 ( -5.838 0.000 -3.981) 7.066 5.109 ( -2.188 0.000 -3.417) 4.057 5.213 ( 5.293 0.000 0.374) 5.307 5.319 ( 1.471 0.000 1.517) 2.113 5.323 ( 3.398 -0.000 3.590) 4.943 5.356 ( -1.057 0.000 -5.191) 5.298 5.382 ( 7.339 -0.000 0.370) 7.349 5.433 ( -0.961 0.000 1.012) 1.395 5.502 ( 4.779 0.000 1.228) 4.934 5.597 ( 0.334 -0.000 1.389) 1.429 5.603 ( -0.772 0.000 2.526) 2.642 5.638 ( 8.738 0.000 -0.717) 8.768 5.717 ( 1.829 0.000 -3.886) 4.295 5.769 ( 4.168 0.000 -4.014) 5.786 5.789 ( 5.927 -0.000 3.136) 6.705 5.885 ( 3.299 0.000 1.330) 3.557 6.003 ( -6.372 0.000 -1.580) 6.565 6.042 ( 6.767 0.000 4.266) 8.000 6.066 ( -7.831 0.000 4.227) 8.899 6.239 ( -4.001 0.000 1.057) 4.139 6.298 ( -1.259 -0.000 1.256) 1.779 6.314 ( 1.626 0.000 -0.044) 1.626 6.329 ( 2.059 -0.000 1.178) 2.372 6.356 ( -2.311 -0.000 -11.748) 11.973 6.408 ( -3.784 0.000 -0.675) 3.844 6.481 ( 3.727 -0.000 -7.334) 8.227 6.557 ( -7.560 0.000 -4.657) 8.879 6.565 ( 1.160 -0.000 0.650) 1.329 6.720 ( 0.959 0.000 -8.344) 8.399 6.748 ( -2.823 0.000 -0.113) 2.825 6.778 ( -2.242 -0.000 0.908) 2.419 6.834 ( 2.162 -0.000 -3.400) 4.029 6.912 ( 1.864 0.000 -4.417) 4.794 6.940 ( -3.672 0.000 0.902) 3.781 6.994 ( -0.283 0.000 2.809) 2.823 7.024 ( 1.469 0.000 -2.708) 3.081 7.098 ( -1.556 0.000 -1.580) 2.218 7.263 ( -2.536 0.000 -6.090) 6.597 7.314 ( -8.061 0.000 5.001) 9.486 7.378 ( 5.282 -0.000 -2.367) 5.788 7.386 ( -3.551 0.000 -8.701) 9.398 7.472 ( -1.188 -0.000 -7.439) 7.533 7.604 ( -9.870 -0.000 -0.007) 9.870 7.634 ( 3.286 0.000 9.473) 10.027 7.705 ( 0.533 0.000 -2.541) 2.596 7.708 ( -3.728 -0.000 11.204) 11.808 7.782 ( 3.886 0.000 6.756) 7.794 7.789 ( 3.145 -0.000 2.378) 3.942 7.830 ( -2.811 -0.000 4.910) 5.658 7.992 ( -2.416 0.000 -3.178) 3.992 8.080 ( -0.696 -0.000 7.746) 7.777 8.098 ( -8.332 0.000 1.909) 8.548 8.113 ( -8.771 0.000 1.624) 8.920 8.205 ( -6.951 -0.000 -1.824) 7.186 8.262 ( -2.889 0.000 0.248) 2.899 8.371 ( 5.383 0.000 7.391) 9.143 8.376 ( 0.090 -0.000 -9.384) 9.384 8.544 ( 9.435 0.000 5.373) 10.858 8.565 ( 8.117 0.000 -0.356) 8.125 8.631 ( 6.020 0.000 -2.898) 6.681 8.711 ( 7.199 -0.000 0.830) 7.247 8.745 ( -0.929 0.000 3.098) 3.234 8.811 ( -1.135 -0.000 -0.220) 1.156 8.894 ( 0.290 0.000 3.477) 3.489 8.901 ( -0.263 0.000 -1.933) 1.951 8.947 ( -3.675 -0.000 -4.614) 5.898 9.031 ( -0.720 0.000 2.472) 2.575 9.100 ( 1.940 -0.000 -0.912) 2.143 9.116 ( -3.076 0.000 2.729) 4.112 9.167 ( -2.053 -0.000 2.115) 2.947 9.197 ( -6.757 0.000 0.704) 6.793 9.295 ( -0.743 -0.000 -3.615) 3.690 9.331 ( -1.416 0.000 -2.506) 2.878 9.659 ( 8.792 0.000 4.281) 9.779 9.713 ( 3.963 -0.000 4.074) 5.684 9.812 ( 3.353 0.000 -0.137) 3.356 9.817 ( 5.412 0.000 1.890) 5.733 9.993 ( 5.896 0.000 -0.326) 5.905 10.007 ( 8.153 -0.000 -5.730) 9.965 10.032 ( -3.186 0.000 -7.159) 7.836 10.197 ( 5.835 0.000 -7.217) 9.281 10.353 ( -5.161 0.000 3.358) 6.158 10.413 ( -1.749 0.000 3.092) 3.552 10.507 ( -0.375 0.000 -2.411) 2.440 10.533 ( -4.611 0.000 1.107) 4.742 10.601 ( -2.889 0.000 5.396) 6.121 10.610 ( 3.316 -0.000 -0.001) 3.316 10.645 ( -4.979 -0.000 2.897) 5.760 10.750 ( -1.496 0.000 3.416) 3.729 10.850 ( -2.723 0.000 -4.029) 4.863 10.857 ( -3.901 -0.000 -3.213) 5.053 10.904 ( 2.144 0.000 -9.351) 9.593 11.012 ( 0.922 0.000 -7.351) 7.409 11.191 ( 5.303 0.000 5.038) 7.314 11.316 ( 4.818 0.000 6.276) 7.912 11.408 ( -0.777 0.000 4.867) 4.928 11.492 ( 4.858 0.000 8.374) 9.681 11.591 ( -7.690 0.000 -5.061) 9.206 11.906 ( 3.071 -0.000 1.265) 3.322 12.100 ( -6.373 0.000 -10.357) 12.161 12.148 ( -6.551 0.000 3.560) 7.456 12.266 ( 0.636 0.000 -7.569) 7.596 12.425 ( 3.871 0.000 2.982) 4.887 12.468 ( -4.697 -0.000 -4.046) 6.200 12.516 ( -4.385 0.000 0.090) 4.386 13.107 ( 7.386 0.000 6.969) 10.154 13.226 ( 11.259 0.000 11.644) 16.197 13.460 ( 0.155 0.000 -8.470) 8.472 13.665 ( 3.686 0.000 -7.058) 7.962 13.683 ( 3.730 0.000 2.025) 4.244 13.858 ( -8.268 -0.000 -6.059) 10.251 13.927 ( 7.828 0.000 5.931) 9.821 14.141 ( 2.894 0.000 -1.544) 3.280 14.280 ( -6.346 0.000 8.158) 10.336 14.470 ( 0.033 0.000 8.181) 8.181 14.741 ( -7.108 0.000 -9.055) 11.512 14.781 ( -5.323 0.000 -6.174) 8.152 18.634 ( 0.358 0.000 2.551) 2.576 18.661 ( 0.869 -0.000 3.361) 3.471 18.740 ( 0.771 0.000 -1.607) 1.783 18.742 ( 1.117 -0.000 -0.849) 1.404 19.012 ( -0.368 0.000 1.547) 1.590 19.062 ( 1.534 0.000 4.270) 4.537 19.170 ( 1.799 0.000 -4.572) 4.913 19.247 ( 4.747 0.000 -1.841) 5.091 19.432 ( -3.821 0.000 -0.370) 3.839 19.469 ( -2.191 -0.000 1.808) 2.841 19.478 ( -4.243 -0.000 -1.383) 4.463 19.531 ( -2.069 0.000 -0.006) 2.069 20.873 ( 0.899 -0.000 2.282) 2.453 20.875 ( 0.951 0.000 2.247) 2.440 20.993 ( -0.243 -0.000 -2.691) 2.702 20.996 ( -0.165 0.000 -2.657) 2.662 ======================= Grid point 69 (30/45) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.421 0.000 9.248) 9.356 2.253 ( -1.017 0.000 10.403) 10.452 2.739 ( -1.091 0.000 -10.554) 10.610 2.761 ( -2.682 0.000 -13.933) 14.189 2.980 ( 7.825 0.000 5.174) 9.381 3.061 ( 0.731 0.000 10.293) 10.319 3.070 ( 1.180 -0.000 3.122) 3.337 3.115 ( 1.422 0.000 -1.170) 1.842 3.299 ( -5.868 -0.000 5.536) 8.067 3.312 ( -4.689 0.000 1.519) 4.929 3.313 ( 6.944 -0.000 -7.664) 10.342 3.488 ( 7.482 0.000 5.841) 9.492 3.543 ( -11.447 0.000 -6.791) 13.309 3.611 ( -1.431 0.000 3.546) 3.824 3.743 ( -4.200 0.000 -6.453) 7.700 3.772 ( -6.215 0.000 0.828) 6.270 3.940 ( -2.680 0.000 9.839) 10.198 3.963 ( -4.769 -0.000 7.464) 8.857 4.074 ( 2.082 -0.000 -0.022) 2.082 4.120 ( -2.664 0.000 1.401) 3.010 4.231 ( 9.015 0.000 -13.837) 16.514 4.258 ( 5.221 0.000 -8.319) 9.822 4.353 ( 1.604 0.000 -6.995) 7.176 4.361 ( -2.361 0.000 -5.857) 6.315 4.467 ( 3.067 0.000 -7.086) 7.721 4.563 ( -3.664 0.000 -2.869) 4.654 4.656 ( 5.205 0.000 0.053) 5.205 4.676 ( 4.164 0.000 -8.077) 9.088 4.746 ( 3.639 0.000 7.664) 8.484 4.766 ( 7.709 -0.000 3.504) 8.468 4.854 ( 0.568 0.000 1.940) 2.022 4.871 ( -3.138 0.000 9.383) 9.894 4.875 ( -7.648 -0.000 3.542) 8.429 4.929 ( -4.986 -0.000 5.130) 7.154 4.965 ( 2.794 0.000 1.346) 3.101 5.068 ( -6.683 0.000 -0.888) 6.742 5.179 ( 1.511 0.000 0.988) 1.805 5.189 ( -0.617 -0.000 0.764) 0.982 5.284 ( -0.573 0.000 -7.473) 7.495 5.319 ( -2.219 0.000 0.302) 2.239 5.415 ( 6.177 0.000 1.140) 6.281 5.503 ( 2.958 0.000 -1.707) 3.415 5.516 ( 0.445 0.000 2.539) 2.578 5.536 ( -1.781 0.000 1.110) 2.099 5.626 ( 6.578 0.000 5.380) 8.498 5.631 ( 7.098 0.000 9.370) 11.755 5.702 ( 1.052 0.000 2.504) 2.716 5.785 ( -3.885 0.000 6.447) 7.527 5.860 ( 0.670 -0.000 -4.095) 4.149 5.891 ( -3.244 0.000 -6.910) 7.633 5.928 ( 1.203 0.000 -2.059) 2.385 5.948 ( 3.226 0.000 -3.186) 4.534 5.966 ( 6.115 0.000 2.552) 6.626 6.068 ( -5.796 0.000 -5.404) 7.924 6.252 ( 3.077 -0.000 9.356) 9.849 6.253 ( -1.702 0.000 2.187) 2.772 6.269 ( -0.986 0.000 -7.273) 7.340 6.302 ( -4.224 -0.000 0.432) 4.246 6.350 ( 0.881 0.000 -2.665) 2.807 6.415 ( -6.048 0.000 -0.278) 6.054 6.472 ( 11.162 0.000 -0.075) 11.162 6.581 ( 5.973 -0.000 -7.499) 9.587 6.587 ( 1.385 0.000 2.013) 2.443 6.677 ( -3.834 0.000 -4.678) 6.049 6.749 ( -2.197 0.000 2.483) 3.316 6.752 ( -2.474 -0.000 3.958) 4.667 6.884 ( 3.223 0.000 -1.406) 3.516 6.926 ( -0.616 0.000 -2.431) 2.508 6.938 ( 3.156 -0.000 -0.454) 3.188 6.962 ( -1.906 0.000 2.962) 3.522 7.048 ( 0.187 -0.000 1.850) 1.860 7.089 ( 1.720 0.000 -0.573) 1.813 7.163 ( -6.457 0.000 -1.274) 6.582 7.188 ( -3.763 0.000 -9.751) 10.452 7.300 ( -3.890 0.000 -5.373) 6.633 7.307 ( -7.416 -0.000 -4.052) 8.451 7.400 ( -2.353 0.000 -1.058) 2.580 7.473 ( -13.337 0.000 6.862) 14.999 7.639 ( 6.904 0.000 2.306) 7.278 7.697 ( 1.300 0.000 6.117) 6.254 7.740 ( 1.640 -0.000 -4.317) 4.618 7.786 ( -3.271 -0.000 3.310) 4.654 7.841 ( 1.814 -0.000 1.123) 2.134 7.848 ( 0.791 0.000 2.911) 3.017 7.936 ( -0.210 0.000 -4.146) 4.151 7.971 ( -4.461 0.000 2.225) 4.985 8.004 ( -0.757 -0.000 5.171) 5.226 8.050 ( -3.589 0.000 8.730) 9.439 8.206 ( 4.775 -0.000 -4.359) 6.466 8.245 ( 0.504 0.000 -6.063) 6.084 8.395 ( 1.381 0.000 -7.868) 7.988 8.432 ( -0.807 -0.000 2.797) 2.911 8.639 ( 2.476 0.000 0.995) 2.669 8.657 ( 1.842 0.000 1.884) 2.635 8.740 ( 5.198 0.000 0.747) 5.251 8.775 ( -0.139 0.000 0.802) 0.814 8.815 ( 4.820 0.000 2.823) 5.586 8.855 ( 1.497 0.000 1.599) 2.191 8.874 ( 0.204 0.000 5.629) 5.633 8.909 ( -0.047 0.000 1.411) 1.412 8.927 ( 0.403 0.000 -1.471) 1.525 8.983 ( -5.401 0.000 1.206) 5.534 9.067 ( 3.048 -0.000 2.547) 3.972 9.111 ( 0.034 -0.000 2.547) 2.548 9.122 ( -0.323 0.000 -1.097) 1.144 9.145 ( -1.227 0.000 -2.683) 2.950 9.229 ( -4.029 0.000 -3.942) 5.637 9.254 ( -5.850 0.000 -3.335) 6.734 9.783 ( 3.659 0.000 1.258) 3.869 9.808 ( 2.930 0.000 0.213) 2.938 9.864 ( 1.983 0.000 -0.444) 2.032 9.897 ( 0.182 0.000 2.059) 2.067 10.000 ( 5.366 0.000 -1.238) 5.507 10.098 ( 2.216 0.000 0.428) 2.257 10.215 ( 8.375 0.000 -2.614) 8.773 10.240 ( -3.629 -0.000 1.728) 4.020 10.320 ( 6.164 -0.000 -1.534) 6.352 10.364 ( -0.603 0.000 1.849) 1.945 10.434 ( -5.663 0.000 0.200) 5.666 10.490 ( -7.323 0.000 -1.757) 7.530 10.524 ( 0.466 0.000 3.927) 3.954 10.567 ( -3.385 -0.000 2.406) 4.153 10.677 ( 3.488 0.000 0.623) 3.543 10.727 ( -1.099 0.000 3.584) 3.749 10.776 ( -2.984 0.000 -3.810) 4.840 10.788 ( -2.969 -0.000 -2.792) 4.076 10.963 ( 3.567 0.000 -10.646) 11.228 11.012 ( -1.212 0.000 -9.413) 9.491 11.312 ( 5.987 0.000 4.201) 7.314 11.378 ( 1.714 -0.000 5.169) 5.446 11.392 ( -0.912 0.000 5.314) 5.391 11.452 ( -5.107 0.000 6.268) 8.085 11.678 ( 12.615 0.000 -1.816) 12.745 11.899 ( -3.794 -0.000 -1.016) 3.927 11.965 ( -9.842 -0.000 1.838) 10.012 11.981 ( -5.529 0.000 -5.488) 7.790 12.307 ( 3.800 0.000 -1.695) 4.161 12.393 ( -5.054 0.000 1.465) 5.262 12.460 ( 2.177 0.000 -4.111) 4.652 12.488 ( -0.205 -0.000 -1.797) 1.809 13.280 ( 9.798 0.000 2.959) 10.235 13.387 ( 1.958 0.000 6.922) 7.194 13.495 ( 3.394 0.000 -5.616) 6.562 13.578 ( -5.128 -0.000 -1.723) 5.410 13.757 ( 2.253 0.000 1.663) 2.801 13.918 ( -10.142 -0.000 8.127) 12.997 13.956 ( 14.665 0.000 -5.900) 15.807 14.144 ( -2.006 0.000 0.067) 2.007 14.275 ( 4.893 0.000 3.344) 5.926 14.411 ( -6.390 0.000 5.883) 8.686 14.624 ( -2.867 0.000 -8.284) 8.766 14.663 ( -5.809 0.000 -5.578) 8.054 18.649 ( 1.002 0.000 2.288) 2.497 18.664 ( -0.450 0.000 2.700) 2.737 18.755 ( 0.651 0.000 -2.005) 2.108 18.759 ( 0.344 -0.000 -1.538) 1.576 19.032 ( 2.416 0.000 3.331) 4.115 19.072 ( -0.945 0.000 5.316) 5.400 19.236 ( 4.986 0.000 -4.781) 6.908 19.332 ( 0.465 0.000 -5.426) 5.446 19.348 ( -1.697 0.000 1.951) 2.586 19.411 ( -3.567 -0.000 1.508) 3.872 19.423 ( -0.175 -0.000 -0.518) 0.547 19.471 ( -3.917 0.000 0.183) 3.922 20.889 ( 0.652 -0.000 1.819) 1.932 20.891 ( 0.538 0.000 1.797) 1.876 20.989 ( -0.082 -0.000 -2.288) 2.289 20.991 ( -0.261 0.000 -2.267) 2.282 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 0.000 -33.262) 33.262 1.440 ( 0.000 0.000 33.262) 33.262 1.659 ( 0.000 0.000 -41.837) 41.837 1.659 ( 0.000 0.000 41.837) 41.837 2.258 ( 0.000 0.000 -13.614) 13.614 2.258 ( 0.000 0.000 13.614) 13.614 2.392 ( 0.000 0.000 -13.081) 13.081 2.392 ( 0.000 0.000 13.081) 13.081 2.772 ( 0.000 0.000 -20.915) 20.915 2.772 ( 0.000 0.000 20.915) 20.915 2.794 ( 0.000 0.000 -13.776) 13.776 2.794 ( 0.000 0.000 13.776) 13.776 3.034 ( 0.000 0.000 -26.235) 26.235 3.034 ( 0.000 0.000 26.235) 26.235 3.236 ( 0.000 0.000 -3.362) 3.362 3.236 ( 0.000 0.000 3.362) 3.362 3.632 ( 0.000 0.000 -0.446) 0.446 3.632 ( 0.000 0.000 0.446) 0.446 3.665 ( 0.000 0.000 -5.332) 5.332 3.665 ( 0.000 0.000 5.332) 5.332 3.873 ( 0.000 0.000 -6.792) 6.792 3.873 ( 0.000 0.000 6.792) 6.792 3.937 ( 0.000 0.000 -7.690) 7.690 3.937 ( 0.000 0.000 7.690) 7.690 4.086 ( 0.000 0.000 -9.811) 9.811 4.086 ( 0.000 0.000 9.811) 9.811 4.158 ( 0.000 0.000 -7.034) 7.034 4.158 ( 0.000 0.000 7.034) 7.034 4.515 ( 0.000 0.000 -3.438) 3.438 4.515 ( 0.000 0.000 3.438) 3.438 4.519 ( 0.000 0.000 -6.093) 6.093 4.519 ( 0.000 0.000 6.093) 6.093 4.722 ( 0.000 0.000 -3.655) 3.655 4.722 ( 0.000 0.000 3.655) 3.655 4.725 ( 0.000 0.000 -15.279) 15.279 4.725 ( 0.000 0.000 15.279) 15.279 4.931 ( 0.000 0.000 -0.750) 0.750 4.931 ( 0.000 0.000 0.750) 0.750 4.997 ( 0.000 0.000 -0.874) 0.874 4.997 ( 0.000 0.000 0.874) 0.874 5.274 ( 0.000 0.000 -8.246) 8.246 5.274 ( 0.000 0.000 8.246) 8.246 5.378 ( 0.000 0.000 -3.484) 3.484 5.378 ( 0.000 0.000 3.484) 3.484 5.393 ( 0.000 0.000 -4.308) 4.308 5.393 ( 0.000 0.000 4.308) 4.308 5.641 ( 0.000 0.000 -3.344) 3.344 5.641 ( 0.000 0.000 3.344) 3.344 5.769 ( 0.000 0.000 -0.504) 0.504 5.769 ( 0.000 0.000 0.504) 0.504 5.861 ( 0.000 0.000 -1.875) 1.875 5.861 ( 0.000 0.000 1.875) 1.875 6.072 ( 0.000 0.000 -1.230) 1.230 6.072 ( 0.000 0.000 1.230) 1.230 6.200 ( 0.000 0.000 -4.149) 4.149 6.200 ( 0.000 0.000 4.149) 4.149 6.267 ( 0.000 0.000 -4.467) 4.467 6.267 ( 0.000 0.000 4.467) 4.467 6.432 ( 0.000 0.000 -0.428) 0.428 6.432 ( 0.000 0.000 0.428) 0.428 6.692 ( 0.000 0.000 -16.351) 16.351 6.692 ( 0.000 0.000 16.351) 16.351 6.944 ( 0.000 0.000 -15.665) 15.665 6.944 ( 0.000 0.000 15.665) 15.665 7.012 ( 0.000 0.000 -1.613) 1.613 7.012 ( 0.000 0.000 1.613) 1.613 7.084 ( 0.000 0.000 -0.277) 0.277 7.084 ( 0.000 0.000 0.277) 0.277 7.202 ( 0.000 0.000 -2.144) 2.144 7.202 ( 0.000 0.000 2.144) 2.144 7.296 ( 0.000 0.000 -13.466) 13.466 7.296 ( 0.000 0.000 13.466) 13.466 7.381 ( 0.000 0.000 -7.838) 7.838 7.381 ( 0.000 0.000 7.838) 7.838 7.529 ( 0.000 0.000 -2.285) 2.285 7.529 ( 0.000 0.000 2.285) 2.285 7.570 ( 0.000 0.000 -4.024) 4.024 7.570 ( 0.000 0.000 4.024) 4.024 7.739 ( 0.000 0.000 -0.790) 0.790 7.739 ( 0.000 0.000 0.790) 0.790 7.766 ( 0.000 0.000 -6.152) 6.152 7.766 ( 0.000 0.000 6.152) 6.152 7.796 ( 0.000 0.000 -1.299) 1.299 7.796 ( 0.000 0.000 1.299) 1.299 8.058 ( 0.000 0.000 -5.364) 5.364 8.058 ( 0.000 0.000 5.364) 5.364 8.156 ( 0.000 0.000 -3.606) 3.606 8.156 ( 0.000 0.000 3.606) 3.606 8.255 ( 0.000 0.000 -2.688) 2.688 8.255 ( 0.000 0.000 2.688) 2.688 8.412 ( 0.000 0.000 -4.382) 4.382 8.412 ( 0.000 0.000 4.382) 4.382 8.598 ( 0.000 0.000 -5.691) 5.691 8.598 ( 0.000 0.000 5.691) 5.691 8.624 ( 0.000 0.000 -3.007) 3.007 8.624 ( 0.000 0.000 3.007) 3.007 8.825 ( 0.000 0.000 -7.390) 7.390 8.825 ( 0.000 0.000 7.390) 7.390 9.001 ( 0.000 0.000 -0.076) 0.076 9.001 ( 0.000 0.000 0.076) 0.076 9.061 ( 0.000 0.000 -12.823) 12.823 9.061 ( 0.000 0.000 12.823) 12.823 9.191 ( 0.000 0.000 -7.553) 7.553 9.191 ( 0.000 0.000 7.553) 7.553 9.217 ( 0.000 0.000 -8.526) 8.526 9.217 ( 0.000 0.000 8.526) 8.526 9.523 ( 0.000 0.000 -1.445) 1.445 9.523 ( 0.000 0.000 1.445) 1.445 9.715 ( 0.000 0.000 -2.541) 2.541 9.715 ( 0.000 0.000 2.541) 2.541 9.915 ( 0.000 0.000 -0.532) 0.532 9.915 ( 0.000 0.000 0.532) 0.532 10.089 ( 0.000 0.000 -1.233) 1.233 10.089 ( 0.000 0.000 1.233) 1.233 10.194 ( 0.000 0.000 -7.481) 7.481 10.194 ( 0.000 0.000 7.481) 7.481 10.375 ( 0.000 0.000 -1.869) 1.869 10.375 ( 0.000 0.000 1.869) 1.869 10.678 ( 0.000 0.000 -1.487) 1.487 10.678 ( 0.000 0.000 1.487) 1.487 10.863 ( 0.000 0.000 -5.502) 5.502 10.863 ( 0.000 0.000 5.502) 5.502 10.968 ( 0.000 0.000 -4.197) 4.197 10.968 ( 0.000 0.000 4.197) 4.197 11.033 ( 0.000 0.000 -18.164) 18.164 11.033 ( 0.000 0.000 18.164) 18.164 11.431 ( 0.000 0.000 -3.641) 3.641 11.431 ( 0.000 0.000 3.641) 3.641 11.547 ( 0.000 0.000 -2.575) 2.575 11.547 ( 0.000 0.000 2.575) 2.575 11.750 ( 0.000 0.000 -6.772) 6.772 11.750 ( 0.000 0.000 6.772) 6.772 11.784 ( 0.000 0.000 -2.919) 2.919 11.784 ( 0.000 0.000 2.919) 2.919 12.146 ( 0.000 0.000 -5.399) 5.399 12.146 ( 0.000 0.000 5.399) 5.399 12.190 ( 0.000 0.000 -11.089) 11.089 12.190 ( 0.000 0.000 11.089) 11.089 12.898 ( 0.000 0.000 -0.313) 0.313 12.898 ( 0.000 0.000 0.313) 0.313 13.138 ( 0.000 0.000 -2.672) 2.672 13.138 ( 0.000 0.000 2.672) 2.672 13.347 ( 0.000 0.000 -10.702) 10.702 13.347 ( 0.000 0.000 10.702) 10.702 13.544 ( 0.000 0.000 -5.225) 5.225 13.544 ( 0.000 0.000 5.225) 5.225 13.883 ( 0.000 0.000 -0.518) 0.518 13.883 ( 0.000 0.000 0.518) 0.518 14.295 ( 0.000 0.000 -6.947) 6.947 14.295 ( 0.000 0.000 6.947) 6.947 14.706 ( 0.000 0.000 -2.548) 2.548 14.706 ( 0.000 0.000 2.548) 2.548 18.360 ( 0.000 0.000 -0.049) 0.049 18.360 ( 0.000 0.000 0.049) 0.049 18.900 ( 0.000 0.000 -3.300) 3.300 18.900 ( 0.000 0.000 3.300) 3.300 18.942 ( 0.000 0.000 -0.633) 0.633 18.942 ( 0.000 0.000 0.633) 0.633 19.328 ( 0.000 0.000 -4.443) 4.443 19.328 ( 0.000 0.000 4.443) 4.443 19.367 ( 0.000 0.000 -1.387) 1.387 19.367 ( 0.000 0.000 1.387) 1.387 20.387 ( 0.000 0.000 -3.805) 3.805 20.387 ( 0.000 0.000 3.805) 3.805 20.867 ( 0.000 0.000 -3.822) 3.822 20.867 ( 0.000 0.000 3.822) 3.822 21.044 ( 0.000 0.000 -2.699) 2.699 21.044 ( 0.000 0.000 2.699) 2.699 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 8.503 0.000 -4.729) 9.730 1.515 ( 8.503 0.000 4.729) 9.730 1.684 ( 8.520 0.000 -10.795) 13.752 1.684 ( 8.520 0.000 10.795) 13.752 2.281 ( -2.195 0.000 -0.350) 2.223 2.281 ( -2.195 0.000 0.350) 2.223 2.415 ( -0.162 0.000 -6.034) 6.036 2.415 ( -0.162 0.000 6.034) 6.036 2.657 ( -8.580 0.000 -6.920) 11.023 2.657 ( -8.580 0.000 6.920) 11.023 2.914 ( 6.857 0.000 -20.760) 21.863 2.914 ( 6.857 0.000 20.760) 21.863 3.117 ( 4.886 0.000 -14.711) 15.501 3.117 ( 4.886 0.000 14.711) 15.501 3.199 ( -0.006 0.000 -18.581) 18.581 3.199 ( -0.006 0.000 18.581) 18.581 3.390 ( -21.964 0.000 -2.249) 22.079 3.390 ( -21.964 0.000 2.249) 22.079 3.681 ( 5.500 0.000 -3.935) 6.762 3.681 ( 5.500 0.000 3.935) 6.762 3.908 ( 2.102 0.000 -1.092) 2.369 3.908 ( 2.102 0.000 1.092) 2.369 3.989 ( 6.052 0.000 -6.547) 8.916 3.989 ( 6.052 0.000 6.547) 8.916 4.032 ( 4.516 0.000 -2.514) 5.169 4.032 ( 4.516 0.000 2.514) 5.169 4.306 ( 7.075 0.000 -2.566) 7.526 4.306 ( 7.075 0.000 2.566) 7.526 4.439 ( -6.711 0.000 -1.957) 6.990 4.439 ( -6.711 0.000 1.957) 6.990 4.527 ( -3.201 0.000 -6.990) 7.688 4.527 ( -3.201 0.000 6.990) 7.688 4.661 ( -9.747 0.000 -3.315) 10.296 4.661 ( -9.747 0.000 3.315) 10.296 4.759 ( -1.608 0.000 -1.292) 2.062 4.759 ( -1.608 0.000 1.292) 2.062 4.921 ( 3.900 0.000 -3.323) 5.124 4.921 ( 3.900 0.000 3.323) 5.124 5.031 ( -0.766 0.000 -8.036) 8.072 5.031 ( -0.766 0.000 8.036) 8.072 5.249 ( -0.362 0.000 -1.516) 1.559 5.249 ( -0.362 0.000 1.516) 1.559 5.279 ( 2.635 0.000 -4.450) 5.172 5.279 ( 2.635 0.000 4.450) 5.172 5.520 ( 4.153 0.000 -4.494) 6.119 5.520 ( 4.153 0.000 4.494) 6.119 5.705 ( 6.522 0.000 -2.619) 7.028 5.705 ( 6.522 0.000 2.619) 7.028 5.890 ( 10.031 0.000 -3.083) 10.494 5.890 ( 10.031 0.000 3.083) 10.494 5.938 ( 7.757 0.000 -5.165) 9.319 5.938 ( 7.757 0.000 5.165) 9.319 6.104 ( 3.986 0.000 -0.533) 4.022 6.104 ( 3.986 0.000 0.533) 4.022 6.186 ( -0.603 0.000 -5.579) 5.612 6.186 ( -0.603 0.000 5.579) 5.612 6.291 ( 1.076 0.000 -4.680) 4.803 6.291 ( 1.076 0.000 4.680) 4.803 6.420 ( -0.183 0.000 -0.395) 0.436 6.420 ( -0.183 0.000 0.395) 0.436 6.650 ( -3.597 0.000 -14.137) 14.588 6.650 ( -3.597 0.000 14.137) 14.588 6.843 ( -14.637 0.000 -0.961) 14.668 6.843 ( -14.637 0.000 0.961) 14.668 6.892 ( -7.998 0.000 -5.495) 9.704 6.892 ( -7.998 0.000 5.495) 9.704 7.058 ( 5.499 0.000 -9.995) 11.408 7.058 ( 5.499 0.000 9.995) 11.408 7.149 ( -10.506 0.000 -1.231) 10.578 7.149 ( -10.506 0.000 1.231) 10.578 7.314 ( -9.308 0.000 -3.035) 9.790 7.314 ( -9.308 0.000 3.035) 9.790 7.365 ( -6.002 0.000 -0.385) 6.014 7.365 ( -6.002 0.000 0.385) 6.014 7.446 ( 5.133 0.000 -5.686) 7.660 7.446 ( 5.133 0.000 5.686) 7.660 7.481 ( -2.615 0.000 -0.720) 2.713 7.481 ( -2.615 0.000 0.720) 2.713 7.727 ( -0.018 0.000 -2.664) 2.664 7.727 ( -0.018 0.000 2.664) 2.664 7.765 ( -2.977 0.000 -1.833) 3.496 7.765 ( -2.977 0.000 1.833) 3.496 8.004 ( 14.175 0.000 -0.739) 14.194 8.004 ( 14.175 0.000 0.739) 14.194 8.071 ( 0.733 0.000 -4.359) 4.420 8.071 ( 0.733 0.000 4.359) 4.420 8.112 ( -2.440 0.000 -0.201) 2.448 8.112 ( -2.440 0.000 0.201) 2.448 8.230 ( -0.248 0.000 -4.350) 4.357 8.230 ( -0.248 0.000 4.350) 4.357 8.414 ( 0.928 0.000 -4.372) 4.469 8.414 ( 0.928 0.000 4.372) 4.469 8.563 ( -1.132 0.000 -8.614) 8.688 8.563 ( -1.132 0.000 8.614) 8.688 8.638 ( 0.800 0.000 -4.053) 4.131 8.638 ( 0.800 0.000 4.053) 4.131 8.938 ( 6.661 0.000 -2.858) 7.248 8.938 ( 6.661 0.000 2.858) 7.248 8.970 ( -4.461 0.000 -9.289) 10.305 8.970 ( -4.461 0.000 9.289) 10.305 9.059 ( 1.217 0.000 -0.826) 1.471 9.059 ( 1.217 0.000 0.826) 1.471 9.172 ( 3.376 0.000 -5.251) 6.242 9.172 ( 3.376 0.000 5.251) 6.242 9.308 ( 4.721 0.000 -6.979) 8.426 9.308 ( 4.721 0.000 6.979) 8.426 9.672 ( 0.714 0.000 -1.817) 1.952 9.672 ( 0.714 0.000 1.817) 1.952 9.690 ( 7.194 0.000 -2.342) 7.566 9.690 ( 7.194 0.000 2.342) 7.566 9.904 ( -1.042 0.000 -1.781) 2.063 9.904 ( -1.042 0.000 1.781) 2.063 10.124 ( -0.939 0.000 -4.527) 4.623 10.124 ( -0.939 0.000 4.527) 4.623 10.171 ( 2.529 0.000 -1.950) 3.194 10.171 ( 2.529 0.000 1.950) 3.194 10.350 ( -2.603 0.000 -2.972) 3.951 10.350 ( -2.603 0.000 2.972) 3.951 10.660 ( -2.654 0.000 -1.211) 2.917 10.660 ( -2.654 0.000 1.211) 2.917 10.819 ( -2.807 0.000 -3.474) 4.467 10.819 ( -2.807 0.000 3.474) 4.467 10.899 ( -3.042 0.000 -7.552) 8.141 10.899 ( -3.042 0.000 7.552) 8.141 11.146 ( 6.939 0.000 -12.327) 14.145 11.146 ( 6.939 0.000 12.327) 14.145 11.311 ( -6.593 0.000 -1.119) 6.687 11.311 ( -6.593 0.000 1.119) 6.687 11.634 ( -0.075 0.000 -4.559) 4.559 11.634 ( -0.075 0.000 4.559) 4.559 11.677 ( -5.767 0.000 -2.580) 6.318 11.677 ( -5.767 0.000 2.580) 6.318 11.747 ( 2.356 0.000 -1.127) 2.612 11.747 ( 2.356 0.000 1.127) 2.612 12.201 ( 2.820 0.000 -1.085) 3.021 12.201 ( 2.820 0.000 1.085) 3.021 12.308 ( 10.739 0.000 -3.224) 11.213 12.308 ( 10.739 0.000 3.224) 11.213 12.777 ( -8.882 0.000 -1.260) 8.971 12.777 ( -8.882 0.000 1.260) 8.971 13.251 ( 6.477 0.000 -0.686) 6.514 13.251 ( 6.477 0.000 0.686) 6.514 13.354 ( 1.475 0.000 -12.939) 13.023 13.354 ( 1.475 0.000 12.939) 13.023 13.502 ( -2.778 0.000 -1.864) 3.345 13.502 ( -2.778 0.000 1.864) 3.345 13.842 ( -4.238 0.000 -0.747) 4.303 13.842 ( -4.238 0.000 0.747) 4.303 14.349 ( 5.120 0.000 -5.603) 7.590 14.349 ( 5.120 0.000 5.603) 7.590 14.664 ( -4.071 0.000 -3.658) 5.473 14.664 ( -4.071 0.000 3.658) 5.473 18.447 ( 8.007 0.000 -2.532) 8.398 18.447 ( 8.007 0.000 2.532) 8.398 18.845 ( -4.424 0.000 -3.169) 5.442 18.845 ( -4.424 0.000 3.169) 5.442 18.981 ( 2.790 0.000 -0.765) 2.893 18.981 ( 2.790 0.000 0.765) 2.893 19.214 ( -6.112 0.000 -1.226) 6.233 19.214 ( -6.112 0.000 1.226) 6.233 19.518 ( 10.173 0.000 -1.886) 10.346 19.518 ( 10.173 0.000 1.886) 10.346 20.254 ( -12.546 0.000 -0.299) 12.549 20.254 ( -12.546 0.000 0.299) 12.549 20.888 ( 2.245 0.000 -3.718) 4.343 20.888 ( 2.245 0.000 3.718) 4.343 21.034 ( -1.232 0.000 -2.760) 3.022 21.034 ( -1.232 0.000 2.760) 3.022 ======================= Grid point 94 (33/45) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 21.829 0.000 -0.521) 21.835 1.814 ( 21.829 0.000 0.521) 21.835 1.959 ( 19.056 0.000 -0.839) 19.074 1.959 ( 19.056 0.000 0.839) 19.074 2.152 ( -12.065 0.000 -3.846) 12.663 2.152 ( -12.065 0.000 3.846) 12.663 2.384 ( -21.440 0.000 -3.619) 21.743 2.384 ( -21.440 0.000 3.619) 21.743 2.472 ( 7.205 0.000 -2.985) 7.799 2.472 ( 7.205 0.000 2.985) 7.799 2.715 ( -16.541 0.000 -5.933) 17.573 2.715 ( -16.541 0.000 5.933) 17.573 3.025 ( -3.202 0.000 -3.937) 5.075 3.025 ( -3.202 0.000 3.937) 5.075 3.110 ( -9.823 0.000 -0.887) 9.863 3.110 ( -9.823 0.000 0.887) 9.863 3.615 ( 28.488 0.000 -29.868) 41.275 3.615 ( 28.488 0.000 29.868) 41.275 3.831 ( 5.361 0.000 -9.070) 10.535 3.831 ( 5.361 0.000 9.070) 10.535 3.964 ( 2.670 0.000 -9.631) 9.994 3.964 ( 2.670 0.000 9.631) 9.994 4.088 ( 9.026 0.000 -1.622) 9.171 4.088 ( 9.026 0.000 1.622) 9.171 4.104 ( -6.222 0.000 -2.062) 6.555 4.104 ( -6.222 0.000 2.062) 6.555 4.315 ( -5.194 0.000 -8.130) 9.648 4.315 ( -5.194 0.000 8.130) 9.648 4.319 ( -5.375 0.000 -2.872) 6.094 4.319 ( -5.375 0.000 2.872) 6.094 4.426 ( -8.394 0.000 -3.921) 9.264 4.426 ( -8.394 0.000 3.921) 9.264 4.559 ( 5.712 0.000 -4.666) 7.376 4.559 ( 5.712 0.000 4.666) 7.376 4.755 ( 4.133 0.000 -2.828) 5.008 4.755 ( 4.133 0.000 2.828) 5.008 4.783 ( -14.560 0.000 -7.634) 16.439 4.783 ( -14.560 0.000 7.634) 16.439 4.909 ( -8.602 0.000 -3.649) 9.344 4.909 ( -8.602 0.000 3.649) 9.344 5.379 ( 8.873 0.000 -3.015) 9.371 5.379 ( 8.873 0.000 3.015) 9.371 5.449 ( 4.652 0.000 -0.707) 4.706 5.449 ( 4.652 0.000 0.707) 4.706 5.606 ( 10.821 0.000 -3.025) 11.236 5.606 ( 10.821 0.000 3.025) 11.236 5.793 ( -1.807 0.000 -2.333) 2.951 5.793 ( -1.807 0.000 2.333) 2.951 6.033 ( 6.597 0.000 -1.939) 6.876 6.033 ( 6.597 0.000 1.939) 6.876 6.102 ( 3.295 0.000 -1.294) 3.540 6.102 ( 3.295 0.000 1.294) 3.540 6.181 ( 8.141 0.000 -8.622) 11.858 6.181 ( 8.141 0.000 8.622) 11.858 6.213 ( 0.258 0.000 -6.035) 6.041 6.213 ( 0.258 0.000 6.035) 6.041 6.271 ( -1.672 0.000 -0.968) 1.932 6.271 ( -1.672 0.000 0.968) 1.932 6.406 ( -5.856 0.000 -1.097) 5.958 6.406 ( -5.856 0.000 1.097) 5.958 6.594 ( -3.896 0.000 -3.982) 5.571 6.594 ( -3.896 0.000 3.982) 5.571 6.613 ( -1.486 0.000 -5.522) 5.719 6.613 ( -1.486 0.000 5.522) 5.719 6.860 ( 2.943 0.000 -4.070) 5.023 6.860 ( 2.943 0.000 4.070) 5.023 6.964 ( -5.625 0.000 -0.088) 5.626 6.964 ( -5.625 0.000 0.088) 5.626 6.971 ( -11.406 0.000 -4.097) 12.119 6.971 ( -11.406 0.000 4.097) 12.119 7.171 ( -6.136 0.000 -4.025) 7.338 7.171 ( -6.136 0.000 4.025) 7.338 7.259 ( -3.623 0.000 -5.674) 6.732 7.259 ( -3.623 0.000 5.674) 6.732 7.347 ( -4.644 0.000 -6.736) 8.182 7.347 ( -4.644 0.000 6.736) 8.182 7.595 ( 7.667 0.000 -2.056) 7.938 7.595 ( 7.667 0.000 2.056) 7.938 7.708 ( -4.223 0.000 -1.878) 4.621 7.708 ( -4.223 0.000 1.878) 4.621 7.862 ( 11.306 0.000 -14.884) 18.692 7.862 ( 11.306 0.000 14.884) 18.692 8.046 ( -7.034 0.000 -10.217) 12.405 8.046 ( -7.034 0.000 10.217) 12.405 8.067 ( -0.164 0.000 -1.829) 1.836 8.067 ( -0.164 0.000 1.829) 1.836 8.079 ( -1.036 0.000 -2.043) 2.291 8.079 ( -1.036 0.000 2.043) 2.291 8.377 ( 9.877 0.000 -4.466) 10.839 8.377 ( 9.877 0.000 4.466) 10.839 8.447 ( 1.607 0.000 -4.198) 4.495 8.447 ( 1.607 0.000 4.198) 4.495 8.559 ( 0.082 0.000 -10.416) 10.416 8.559 ( 0.082 0.000 10.416) 10.416 8.601 ( -3.592 0.000 -5.334) 6.431 8.601 ( -3.592 0.000 5.334) 6.431 8.952 ( 2.839 0.000 -9.097) 9.530 8.952 ( 2.839 0.000 9.097) 9.530 9.026 ( -2.433 0.000 -4.370) 5.002 9.026 ( -2.433 0.000 4.370) 5.002 9.065 ( 5.493 0.000 -1.542) 5.705 9.065 ( 5.493 0.000 1.542) 5.705 9.175 ( -4.789 0.000 -4.279) 6.422 9.175 ( -4.789 0.000 4.279) 6.422 9.443 ( 8.770 0.000 -7.269) 11.390 9.443 ( 8.770 0.000 7.269) 11.390 9.581 ( -6.133 0.000 -4.165) 7.413 9.581 ( -6.133 0.000 4.165) 7.413 9.843 ( 5.478 0.000 -2.459) 6.005 9.843 ( 5.478 0.000 2.459) 6.005 9.896 ( -0.200 0.000 -6.188) 6.192 9.896 ( -0.200 0.000 6.188) 6.192 10.067 ( -1.149 0.000 -1.419) 1.825 10.067 ( -1.149 0.000 1.419) 1.825 10.148 ( -7.581 0.000 -1.506) 7.729 10.148 ( -7.581 0.000 1.506) 7.729 10.411 ( 9.297 0.000 -6.996) 11.635 10.411 ( 9.297 0.000 6.996) 11.635 10.569 ( -6.788 0.000 -5.229) 8.568 10.569 ( -6.788 0.000 5.229) 8.568 10.812 ( 1.462 0.000 -1.808) 2.325 10.812 ( 1.462 0.000 1.808) 2.325 10.852 ( -2.531 0.000 -3.013) 3.935 10.852 ( -2.531 0.000 3.013) 3.935 11.236 ( 4.029 0.000 -8.108) 9.054 11.236 ( 4.029 0.000 8.108) 9.054 11.284 ( 1.030 0.000 -5.568) 5.663 11.284 ( 1.030 0.000 5.568) 5.663 11.536 ( -5.175 0.000 -2.815) 5.891 11.536 ( -5.175 0.000 2.815) 5.891 11.545 ( -5.582 0.000 -2.791) 6.241 11.545 ( -5.582 0.000 2.791) 6.241 11.947 ( 13.527 0.000 -1.794) 13.646 11.947 ( 13.527 0.000 1.794) 13.646 12.163 ( -7.831 0.000 -3.113) 8.427 12.163 ( -7.831 0.000 3.113) 8.427 12.504 ( 8.990 0.000 -0.343) 8.997 12.504 ( 8.990 0.000 0.343) 8.997 12.636 ( -6.179 0.000 -0.048) 6.179 12.636 ( -6.179 0.000 0.048) 6.179 13.298 ( 1.160 0.000 -4.197) 4.355 13.298 ( 1.160 0.000 4.197) 4.355 13.343 ( -3.342 0.000 -7.105) 7.852 13.343 ( -3.342 0.000 7.105) 7.852 13.567 ( 8.794 0.000 -2.027) 9.024 13.567 ( 8.794 0.000 2.027) 9.024 13.729 ( -7.731 0.000 -1.647) 7.905 13.729 ( -7.731 0.000 1.647) 7.905 14.459 ( 6.250 0.000 -4.608) 7.765 14.459 ( 6.250 0.000 4.608) 7.765 14.571 ( -5.640 0.000 -4.488) 7.208 14.571 ( -5.640 0.000 4.488) 7.208 18.607 ( 8.342 0.000 -4.292) 9.382 18.607 ( 8.342 0.000 4.292) 9.382 18.745 ( -6.384 0.000 -3.857) 7.459 18.745 ( -6.384 0.000 3.857) 7.459 19.039 ( 3.507 0.000 -0.243) 3.516 19.039 ( 3.507 0.000 0.243) 3.516 19.115 ( -4.642 0.000 -0.389) 4.658 19.115 ( -4.642 0.000 0.389) 4.658 19.731 ( 12.719 0.000 -2.799) 13.023 19.731 ( 12.719 0.000 2.799) 13.023 19.989 ( -14.694 0.000 -2.742) 14.948 19.989 ( -14.694 0.000 2.742) 14.948 20.942 ( 3.190 0.000 -3.316) 4.601 20.942 ( 3.190 0.000 3.316) 4.601 20.997 ( -2.594 0.000 -2.983) 3.953 20.997 ( -2.594 0.000 2.983) 3.953 ======================= Grid point 100 (34/45) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 23.295 -28.870) 37.096 1.721 ( 0.000 23.295 28.870) 37.096 1.794 ( 0.000 12.400 -36.338) 38.395 1.794 ( 0.000 12.400 36.338) 38.395 2.452 ( 0.000 16.458 -7.620) 18.136 2.452 ( 0.000 16.458 7.620) 18.136 2.598 ( 0.000 15.843 -15.418) 22.106 2.598 ( 0.000 15.843 15.418) 22.106 2.835 ( 0.000 2.876 -12.346) 12.676 2.835 ( 0.000 2.876 12.346) 12.676 2.979 ( 0.000 19.888 -1.166) 19.922 2.979 ( 0.000 19.888 1.166) 19.922 3.198 ( 0.000 14.932 -19.904) 24.882 3.198 ( 0.000 14.932 19.904) 24.882 3.323 ( 0.000 7.552 -5.991) 9.640 3.323 ( 0.000 7.552 5.991) 9.640 3.630 ( 0.000 1.483 -7.114) 7.267 3.630 ( 0.000 1.483 7.114) 7.267 3.644 ( 0.000 -0.784 -1.784) 1.949 3.644 ( 0.000 -0.784 1.784) 1.949 3.879 ( 0.000 3.250 -8.590) 9.185 3.879 ( 0.000 3.250 8.590) 9.185 4.110 ( 0.000 2.342 -8.834) 9.140 4.110 ( 0.000 2.342 8.834) 9.140 4.132 ( 0.000 5.425 -1.198) 5.556 4.132 ( 0.000 5.425 1.198) 5.556 4.212 ( 0.000 12.690 -7.276) 14.628 4.212 ( 0.000 12.690 7.276) 14.628 4.512 ( 0.000 2.995 -2.228) 3.733 4.512 ( 0.000 2.995 2.228) 3.733 4.560 ( 0.000 3.522 -6.759) 7.622 4.560 ( 0.000 3.522 6.759) 7.622 4.718 ( 0.000 -1.049 -11.674) 11.721 4.718 ( 0.000 -1.049 11.674) 11.721 4.795 ( 0.000 7.209 -5.001) 8.774 4.795 ( 0.000 7.209 5.001) 8.774 4.912 ( 0.000 -2.250 -3.140) 3.863 4.912 ( 0.000 -2.250 3.140) 3.863 5.070 ( 0.000 5.670 -5.757) 8.080 5.070 ( 0.000 5.670 5.757) 8.080 5.212 ( 0.000 -5.275 -6.445) 8.328 5.212 ( 0.000 -5.275 6.445) 8.328 5.361 ( 0.000 -2.906 -5.119) 5.886 5.361 ( 0.000 -2.906 5.119) 5.886 5.381 ( 0.000 0.889 -3.865) 3.966 5.381 ( 0.000 0.889 3.865) 3.966 5.599 ( 0.000 -3.417 -7.909) 8.616 5.599 ( 0.000 -3.417 7.909) 8.616 5.764 ( 0.000 -0.028 -1.965) 1.965 5.764 ( 0.000 -0.028 1.965) 1.965 5.836 ( 0.000 -2.682 -3.697) 4.567 5.836 ( 0.000 -2.682 3.697) 4.567 6.031 ( 0.000 -1.165 -3.361) 3.557 6.031 ( 0.000 -1.165 3.361) 3.557 6.232 ( 0.000 -2.952 -5.043) 5.843 6.232 ( 0.000 -2.952 5.043) 5.843 6.360 ( 0.000 11.083 -6.015) 12.610 6.360 ( 0.000 11.083 6.015) 12.610 6.418 ( 0.000 -1.721 -7.016) 7.224 6.418 ( 0.000 -1.721 7.016) 7.224 6.631 ( 0.000 -6.314 -13.927) 15.292 6.631 ( 0.000 -6.314 13.927) 15.292 6.913 ( 0.000 -7.944 -4.138) 8.957 6.913 ( 0.000 -7.944 4.138) 8.957 6.927 ( 0.000 1.023 -8.165) 8.229 6.927 ( 0.000 1.023 8.165) 8.229 7.067 ( 0.000 -2.386 -3.730) 4.428 7.067 ( 0.000 -2.386 3.730) 4.428 7.208 ( 0.000 -5.232 -13.000) 14.013 7.208 ( 0.000 -5.232 13.000) 14.013 7.345 ( 0.000 9.970 -8.904) 13.367 7.345 ( 0.000 9.970 8.904) 13.367 7.379 ( 0.000 -0.633 -11.177) 11.195 7.379 ( 0.000 -0.633 11.177) 11.195 7.467 ( 0.000 -5.469 -2.129) 5.869 7.467 ( 0.000 -5.469 2.129) 5.869 7.542 ( 0.000 5.105 -7.942) 9.441 7.542 ( 0.000 5.105 7.942) 9.441 7.702 ( 0.000 -5.166 -6.442) 8.257 7.702 ( 0.000 -5.166 6.442) 8.257 7.760 ( 0.000 -3.208 -5.306) 6.200 7.760 ( 0.000 -3.208 5.306) 6.200 7.999 ( 0.000 13.447 -3.336) 13.855 7.999 ( 0.000 13.447 3.336) 13.855 8.121 ( 0.000 -3.863 -4.724) 6.102 8.121 ( 0.000 -3.863 4.724) 6.102 8.125 ( 0.000 5.935 -1.534) 6.130 8.125 ( 0.000 5.935 1.534) 6.130 8.295 ( 0.000 2.785 -6.200) 6.797 8.295 ( 0.000 2.785 6.200) 6.797 8.477 ( 0.000 5.442 -1.395) 5.617 8.477 ( 0.000 5.442 1.395) 5.617 8.529 ( 0.000 -7.422 -3.164) 8.068 8.529 ( 0.000 -7.422 3.164) 8.068 8.666 ( 0.000 5.091 -7.755) 9.277 8.666 ( 0.000 5.091 7.755) 9.277 8.811 ( 0.000 -1.041 -6.374) 6.458 8.811 ( 0.000 -1.041 6.374) 6.458 8.922 ( 0.000 -8.613 -10.113) 13.284 8.922 ( 0.000 -8.613 10.113) 13.284 8.935 ( 0.000 -6.162 -2.980) 6.845 8.935 ( 0.000 -6.162 2.980) 6.845 9.197 ( 0.000 0.185 -5.318) 5.322 9.197 ( 0.000 0.185 5.318) 5.322 9.300 ( 0.000 3.765 -8.711) 9.490 9.300 ( 0.000 3.765 8.711) 9.490 9.505 ( 0.000 -1.866 -3.141) 3.654 9.505 ( 0.000 -1.866 3.141) 3.654 9.734 ( 0.000 -0.136 -5.347) 5.348 9.734 ( 0.000 -0.136 5.347) 5.348 9.895 ( 0.000 -2.077 -0.573) 2.155 9.895 ( 0.000 -2.077 0.573) 2.155 10.079 ( 0.000 -1.186 -4.238) 4.401 10.079 ( 0.000 -1.186 4.238) 4.401 10.206 ( 0.000 3.237 -3.050) 4.447 10.206 ( 0.000 3.237 3.050) 4.447 10.318 ( 0.000 -5.714 -2.530) 6.249 10.318 ( 0.000 -5.714 2.530) 6.249 10.657 ( 0.000 -1.254 -2.879) 3.140 10.657 ( 0.000 -1.254 2.879) 3.140 10.813 ( 0.000 -4.837 -1.419) 5.041 10.813 ( 0.000 -4.837 1.419) 5.041 10.906 ( 0.000 -5.410 -0.826) 5.472 10.906 ( 0.000 -5.410 0.826) 5.472 11.047 ( 0.000 1.200 -10.540) 10.608 11.047 ( 0.000 1.200 10.540) 10.608 11.352 ( 0.000 -12.514 -3.977) 13.131 11.352 ( 0.000 -12.514 3.977) 13.131 11.496 ( 0.000 -7.845 -3.853) 8.740 11.496 ( 0.000 -7.845 3.853) 8.740 11.549 ( 0.000 -10.259 -2.370) 10.530 11.549 ( 0.000 -10.259 2.370) 10.530 11.593 ( 0.000 -4.713 -6.106) 7.713 11.593 ( 0.000 -4.713 6.106) 7.713 12.219 ( 0.000 0.123 -13.526) 13.526 12.219 ( 0.000 0.123 13.526) 13.526 12.286 ( 0.000 4.557 -14.117) 14.834 12.286 ( 0.000 4.557 14.117) 14.834 12.958 ( 0.000 6.338 -3.126) 7.067 12.958 ( 0.000 6.338 3.126) 7.067 13.106 ( 0.000 -1.607 -8.004) 8.164 13.106 ( 0.000 -1.607 8.004) 8.164 13.404 ( 0.000 1.032 -10.114) 10.167 13.404 ( 0.000 1.032 10.114) 10.167 13.563 ( 0.000 2.784 -12.200) 12.513 13.563 ( 0.000 2.784 12.200) 12.513 14.037 ( 0.000 12.311 -1.095) 12.359 14.037 ( 0.000 12.311 1.095) 12.359 14.305 ( 0.000 -0.373 -1.655) 1.696 14.305 ( 0.000 -0.373 1.655) 1.696 14.674 ( 0.000 -1.817 -6.527) 6.775 14.674 ( 0.000 -1.817 6.527) 6.775 18.384 ( 0.000 2.361 -1.104) 2.607 18.384 ( 0.000 2.361 1.104) 2.607 18.936 ( 0.000 -0.647 -1.473) 1.609 18.936 ( 0.000 -0.647 1.473) 1.609 18.946 ( 0.000 4.405 -2.539) 5.084 18.946 ( 0.000 4.405 2.539) 5.084 19.299 ( 0.000 -5.801 -4.457) 7.316 19.299 ( 0.000 -5.801 4.457) 7.316 19.303 ( 0.000 -2.301 -4.577) 5.123 19.303 ( 0.000 -2.301 4.577) 5.123 20.265 ( 0.000 -10.327 -1.742) 10.473 20.265 ( 0.000 -10.327 1.742) 10.473 20.877 ( 0.000 0.802 -4.803) 4.870 20.877 ( 0.000 0.802 4.803) 4.870 21.033 ( 0.000 -1.109 -2.897) 3.102 21.033 ( 0.000 -1.109 2.897) 3.102 ======================= Grid point 102 (35/45) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 4.883 14.399 -24.687) 28.993 1.701 ( 4.883 14.399 24.687) 28.993 1.942 ( 12.487 23.385 -21.337) 34.030 1.942 ( 12.487 23.385 21.337) 34.030 2.453 ( -4.385 15.664 -2.571) 16.468 2.453 ( -4.385 15.664 2.571) 16.468 2.604 ( -0.588 9.096 -8.591) 12.526 2.604 ( -0.588 9.096 8.591) 12.526 2.776 ( -2.714 15.554 -5.498) 16.719 2.776 ( -2.714 15.554 5.498) 16.719 3.069 ( 0.115 14.645 -6.866) 16.175 3.069 ( 0.115 14.645 6.866) 16.175 3.143 ( -4.058 2.671 -7.387) 8.841 3.143 ( -4.058 2.671 7.387) 8.841 3.319 ( 4.181 10.706 -16.543) 20.143 3.319 ( 4.181 10.706 16.543) 20.143 3.464 ( -18.236 6.119 -3.795) 19.606 3.464 ( -18.236 6.119 3.795) 19.606 3.679 ( 4.650 1.549 -2.088) 5.327 3.679 ( 4.650 1.549 2.088) 5.327 3.869 ( 4.901 1.149 -4.405) 6.689 3.869 ( 4.901 1.149 4.405) 6.689 4.043 ( 5.834 1.319 -7.615) 9.684 4.043 ( 5.834 1.319 7.615) 9.684 4.182 ( 0.865 11.410 -5.086) 12.523 4.182 ( 0.865 11.410 5.086) 12.523 4.360 ( 2.429 2.912 -2.005) 4.290 4.360 ( 2.429 2.912 2.005) 4.290 4.447 ( -5.033 4.389 -6.139) 9.071 4.447 ( -5.033 4.389 6.139) 9.071 4.536 ( -2.136 2.461 -7.559) 8.232 4.536 ( -2.136 2.461 7.559) 8.232 4.707 ( -5.491 5.924 -2.099) 8.345 4.707 ( -5.491 5.924 2.099) 8.345 4.812 ( -1.177 3.912 -2.743) 4.921 4.812 ( -1.177 3.912 2.743) 4.921 4.929 ( 4.044 -0.574 -3.929) 5.668 4.929 ( 4.044 -0.574 3.929) 5.668 5.048 ( -0.486 0.136 -5.063) 5.088 5.048 ( -0.486 0.136 5.063) 5.088 5.200 ( 0.278 -1.034 -3.627) 3.782 5.200 ( 0.278 -1.034 3.627) 3.782 5.319 ( 2.111 1.875 -1.882) 3.393 5.319 ( 2.111 1.875 1.882) 3.393 5.494 ( 4.154 -1.962 -2.483) 5.222 5.494 ( 4.154 -1.962 2.483) 5.222 5.680 ( 7.937 -2.427 -2.608) 8.700 5.680 ( 7.937 -2.427 2.608) 8.700 5.813 ( 5.537 -4.570 -3.910) 8.175 5.813 ( 5.537 -4.570 3.910) 8.175 5.934 ( 10.495 -1.358 -5.264) 11.819 5.934 ( 10.495 -1.358 5.264) 11.819 6.064 ( 3.027 -1.701 -1.270) 3.697 6.064 ( 3.027 -1.701 1.270) 3.697 6.210 ( -2.598 -1.650 -3.350) 4.549 6.210 ( -2.598 -1.650 3.350) 4.549 6.355 ( -1.561 6.165 -2.656) 6.892 6.355 ( -1.561 6.165 2.656) 6.892 6.415 ( 0.961 -0.831 -4.406) 4.586 6.415 ( 0.961 -0.831 4.406) 4.586 6.581 ( -3.293 -5.543 -10.869) 12.637 6.581 ( -3.293 -5.543 10.869) 12.637 6.809 ( -9.206 -2.634 -6.445) 11.543 6.809 ( -9.206 -2.634 6.445) 11.543 6.906 ( -6.265 -2.291 -3.518) 7.542 6.906 ( -6.265 -2.291 3.518) 7.542 7.054 ( -7.807 0.356 -14.145) 16.161 7.054 ( -7.807 0.356 14.145) 16.161 7.079 ( -4.470 -1.568 -4.707) 6.677 7.079 ( -4.470 -1.568 4.707) 6.677 7.268 ( -0.041 -1.683 -4.802) 5.089 7.268 ( -0.041 -1.683 4.802) 5.089 7.366 ( -5.169 -1.184 -7.123) 8.880 7.366 ( -5.169 -1.184 7.123) 8.880 7.489 ( -4.461 3.574 -1.279) 5.858 7.489 ( -4.461 3.574 1.279) 5.858 7.583 ( 3.513 5.955 -6.310) 9.360 7.583 ( 3.513 5.955 6.310) 9.360 7.693 ( -2.669 -4.022 -4.895) 6.875 7.693 ( -2.669 -4.022 4.895) 6.875 7.741 ( 1.892 -1.285 -2.018) 3.051 7.741 ( 1.892 -1.285 2.018) 3.051 8.005 ( 2.426 -0.444 -4.603) 5.222 8.005 ( 2.426 -0.444 4.603) 5.222 8.096 ( 0.919 0.949 -0.988) 1.649 8.096 ( 0.919 0.949 0.988) 1.649 8.204 ( 3.168 7.545 -1.839) 8.387 8.204 ( 3.168 7.545 1.839) 8.387 8.274 ( -0.500 4.455 -4.955) 6.682 8.274 ( -0.500 4.455 4.955) 6.682 8.469 ( -0.106 4.596 -2.040) 5.030 8.469 ( -0.106 4.596 2.040) 5.030 8.491 ( -0.719 -5.151 -6.835) 8.589 8.491 ( -0.719 -5.151 6.835) 8.589 8.669 ( -1.269 0.469 -0.948) 1.652 8.669 ( -1.269 0.469 0.948) 1.652 8.862 ( 2.439 -6.162 -5.542) 8.639 8.862 ( 2.439 -6.162 5.542) 8.639 8.904 ( 2.547 -3.603 -2.716) 5.181 8.904 ( 2.547 -3.603 2.716) 5.181 9.032 ( 4.739 -3.081 -1.241) 5.787 9.032 ( 4.739 -3.081 1.241) 5.787 9.230 ( 2.953 3.055 -5.054) 6.603 9.230 ( 2.953 3.055 5.054) 6.603 9.308 ( 1.603 0.028 -6.338) 6.537 9.308 ( 1.603 0.028 6.338) 6.537 9.620 ( 4.414 -4.017 -5.283) 7.971 9.620 ( 4.414 -4.017 5.283) 7.971 9.721 ( 2.857 0.670 -3.891) 4.873 9.721 ( 2.857 0.670 3.891) 4.873 9.905 ( 0.664 -0.313 -2.854) 2.947 9.905 ( 0.664 -0.313 2.854) 2.947 10.066 ( -1.251 -3.891 -4.558) 6.122 10.066 ( -1.251 -3.891 4.558) 6.122 10.179 ( -2.038 1.001 -1.330) 2.631 10.179 ( -2.038 1.001 1.330) 2.631 10.324 ( 0.815 -2.161 -3.423) 4.129 10.324 ( 0.815 -2.161 3.423) 4.129 10.640 ( -2.682 -1.336 -2.444) 3.867 10.640 ( -2.682 -1.336 2.444) 3.867 10.775 ( -1.883 -3.791 -0.725) 4.295 10.775 ( -1.883 -3.791 0.725) 4.295 10.892 ( -3.262 -2.165 -2.397) 4.591 10.892 ( -3.262 -2.165 2.397) 4.591 11.068 ( 4.243 -6.121 -8.288) 11.143 11.068 ( 4.243 -6.121 8.288) 11.143 11.272 ( -5.777 -5.766 -2.709) 8.600 11.272 ( -5.777 -5.766 2.709) 8.600 11.460 ( -4.487 -11.394 -4.127) 12.923 11.460 ( -4.487 -11.394 4.127) 12.923 11.559 ( 0.039 -11.086 -0.646) 11.105 11.559 ( 0.039 -11.086 0.646) 11.105 11.688 ( 9.057 -0.085 -5.564) 10.630 11.688 ( 9.057 -0.085 5.564) 10.630 12.208 ( 0.057 -0.245 -2.492) 2.504 12.208 ( 0.057 -0.245 2.492) 2.504 12.387 ( 7.895 0.805 -3.338) 8.609 12.387 ( 7.895 0.805 3.338) 8.609 12.786 ( -11.790 2.767 -2.008) 12.275 12.786 ( -11.790 2.767 2.008) 12.275 13.213 ( 5.551 0.274 -8.210) 9.914 13.213 ( 5.551 0.274 8.210) 9.914 13.439 ( 1.431 2.226 -10.935) 11.250 13.439 ( 1.431 2.226 10.935) 11.250 13.555 ( 1.551 5.256 -10.017) 11.418 13.555 ( 1.551 5.256 10.017) 11.418 13.978 ( -5.833 11.062 -2.349) 12.725 13.978 ( -5.833 11.062 2.349) 12.725 14.346 ( 3.913 -1.211 -1.819) 4.481 14.346 ( 3.913 -1.211 1.819) 4.481 14.631 ( -4.120 -1.960 -5.035) 6.794 14.631 ( -4.120 -1.960 5.035) 6.794 18.463 ( 7.405 1.581 -2.016) 7.835 18.463 ( 7.405 1.581 2.016) 7.835 18.870 ( -4.781 1.874 -2.754) 5.827 18.870 ( -4.781 1.874 2.754) 5.827 18.988 ( 2.315 1.065 -1.052) 2.756 18.988 ( 2.315 1.065 1.052) 2.756 19.182 ( -5.368 -2.852 -0.917) 6.147 19.182 ( -5.368 -2.852 0.917) 6.147 19.465 ( 10.055 -4.617 -1.109) 11.119 19.465 ( 10.055 -4.617 1.109) 11.119 20.155 ( -10.654 -8.639 -0.750) 13.737 20.155 ( -10.654 -8.639 0.750) 13.737 20.897 ( 1.982 0.612 -4.183) 4.670 20.897 ( 1.982 0.612 4.183) 4.670 21.025 ( -0.969 -0.898 -2.864) 3.154 21.025 ( -0.969 -0.898 2.864) 3.154 ======================= Grid point 104 (36/45) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 21.594 10.702 -12.225) 27.024 1.965 ( 21.594 10.702 12.225) 27.024 2.214 ( 14.790 23.552 -14.873) 31.538 2.214 ( 14.790 23.552 14.873) 31.538 2.334 ( -10.679 11.885 -5.266) 16.823 2.334 ( -10.679 11.885 5.266) 16.823 2.488 ( -14.087 12.646 -3.397) 19.233 2.488 ( -14.087 12.646 3.397) 19.233 2.688 ( -0.446 18.305 -2.265) 18.450 2.688 ( -0.446 18.305 2.265) 18.450 2.842 ( -14.006 13.453 -7.003) 20.644 2.842 ( -14.006 13.453 7.003) 20.644 3.080 ( -1.641 3.648 -5.237) 6.590 3.080 ( -1.641 3.648 5.237) 6.590 3.170 ( -10.415 5.605 -5.071) 12.869 3.170 ( -10.415 5.605 5.071) 12.869 3.647 ( 21.063 4.117 -18.633) 28.422 3.647 ( 21.063 4.117 18.633) 28.422 3.841 ( 6.218 1.214 -10.540) 12.298 3.841 ( 6.218 1.214 10.540) 12.298 3.969 ( 5.239 4.213 -8.222) 10.620 3.969 ( 5.239 4.213 8.222) 10.620 4.121 ( 0.552 3.845 -3.015) 4.917 4.121 ( 0.552 3.845 3.015) 4.917 4.185 ( -4.471 0.020 -6.535) 7.918 4.185 ( -4.471 0.020 6.535) 7.918 4.271 ( -3.980 -0.253 -5.455) 6.757 4.271 ( -3.980 -0.253 5.455) 6.757 4.373 ( 0.639 5.911 -1.987) 6.269 4.373 ( 0.639 5.911 1.987) 6.269 4.520 ( -10.038 6.217 -4.489) 12.632 4.520 ( -10.038 6.217 4.489) 12.632 4.626 ( 5.788 8.699 -2.064) 10.650 4.626 ( 5.788 8.699 2.064) 10.650 4.796 ( -4.234 2.810 -11.476) 12.551 4.796 ( -4.234 2.810 11.476) 12.551 4.838 ( -2.519 6.281 -1.956) 7.044 4.838 ( -2.519 6.281 1.956) 7.044 4.970 ( -8.287 4.573 -2.155) 9.707 4.970 ( -8.287 4.573 2.155) 9.707 5.343 ( 9.546 -2.076 -3.215) 10.284 5.343 ( 9.546 -2.076 3.215) 10.284 5.430 ( 2.324 -2.060 -2.021) 3.706 5.430 ( 2.324 -2.060 2.021) 3.706 5.582 ( 10.270 -1.959 -3.379) 10.988 5.582 ( 10.270 -1.959 3.379) 10.988 5.756 ( -2.786 -3.748 -4.293) 6.344 5.756 ( -2.786 -3.748 4.293) 6.344 5.967 ( 8.590 -3.269 -4.025) 10.034 5.967 ( 8.590 -3.269 4.025) 10.034 6.071 ( -1.989 -3.899 -2.461) 5.022 6.071 ( -1.989 -3.899 2.461) 5.022 6.174 ( 10.036 0.594 -5.858) 11.636 6.174 ( 10.036 0.594 5.858) 11.636 6.211 ( 4.044 -2.110 -3.918) 6.013 6.211 ( 4.044 -2.110 3.918) 6.013 6.299 ( -1.073 1.715 -4.113) 4.584 6.299 ( -1.073 1.715 4.113) 4.584 6.415 ( -3.809 -0.828 -1.798) 4.292 6.415 ( -3.809 -0.828 1.798) 4.292 6.541 ( -2.803 -1.814 -4.594) 5.679 6.541 ( -2.803 -1.814 4.594) 5.679 6.606 ( -8.720 -2.145 -0.986) 9.034 6.606 ( -8.720 -2.145 0.986) 9.034 6.811 ( -0.717 -3.917 -3.898) 5.572 6.811 ( -0.717 -3.917 3.898) 5.572 6.893 ( -5.324 -3.620 -2.322) 6.844 6.893 ( -5.324 -3.620 2.322) 6.844 7.008 ( -3.906 1.931 -3.897) 5.845 7.008 ( -3.906 1.931 3.897) 5.845 7.142 ( -9.662 0.139 -3.681) 10.341 7.142 ( -9.662 0.139 3.681) 10.341 7.347 ( -1.039 3.209 -5.377) 6.348 7.347 ( -1.039 3.209 5.377) 6.348 7.381 ( -2.410 3.498 -6.326) 7.620 7.381 ( -2.410 3.498 6.326) 7.620 7.609 ( 4.472 1.087 -3.897) 6.030 7.609 ( 4.472 1.087 3.897) 6.030 7.690 ( -2.529 -1.199 -2.070) 3.481 7.690 ( -2.529 -1.199 2.070) 3.481 7.866 ( 9.194 -0.873 -9.781) 13.452 7.866 ( 9.194 -0.873 9.781) 13.452 7.993 ( -3.864 -4.329 -4.409) 7.288 7.993 ( -3.864 -4.329 4.409) 7.288 8.116 ( 1.099 3.459 -1.337) 3.868 8.116 ( 1.099 3.459 1.337) 3.868 8.162 ( -3.938 6.484 -4.356) 8.748 8.162 ( -3.938 6.484 4.356) 8.748 8.386 ( 6.693 1.153 -3.978) 7.870 8.386 ( 6.693 1.153 3.978) 7.870 8.455 ( -1.582 -0.083 -5.258) 5.491 8.455 ( -1.582 -0.083 5.258) 5.491 8.539 ( 4.810 0.207 -5.891) 7.608 8.539 ( 4.810 0.207 5.891) 7.608 8.625 ( -3.430 0.821 -2.657) 4.416 8.625 ( -3.430 0.821 2.657) 4.416 8.906 ( 3.861 -3.133 -8.740) 10.055 8.906 ( 3.861 -3.133 8.740) 10.055 8.968 ( 0.329 -3.906 -6.769) 7.822 8.968 ( 0.329 -3.906 6.769) 7.822 9.071 ( 3.436 -1.885 -2.225) 4.507 9.071 ( 3.436 -1.885 2.225) 4.507 9.194 ( -6.936 -0.114 -3.583) 7.808 9.194 ( -6.936 -0.114 3.583) 7.808 9.427 ( 8.553 -0.937 -5.213) 10.060 9.427 ( 8.553 -0.937 5.213) 10.060 9.558 ( -5.888 -2.261 -3.008) 6.988 9.558 ( -5.888 -2.261 3.008) 6.988 9.856 ( 6.558 0.784 -4.065) 7.755 9.856 ( 6.558 0.784 4.065) 7.755 9.920 ( 0.264 1.945 -5.335) 5.685 9.920 ( 0.264 1.945 5.335) 5.685 10.034 ( -0.578 -2.702 -2.637) 3.820 10.034 ( -0.578 -2.702 2.637) 3.820 10.107 ( -6.156 -2.752 -3.500) 7.597 10.107 ( -6.156 -2.752 3.500) 7.597 10.398 ( 7.345 -1.033 -4.993) 8.941 10.398 ( 7.345 -1.033 4.993) 8.941 10.543 ( -7.129 -2.036 -3.063) 8.022 10.543 ( -7.129 -2.036 3.063) 8.022 10.779 ( 1.984 -2.980 -0.947) 3.703 10.779 ( 1.984 -2.980 0.947) 3.703 10.830 ( -3.156 -2.198 -1.511) 4.133 10.830 ( -3.156 -2.198 1.511) 4.133 11.156 ( 4.443 -9.156 -5.114) 11.390 11.156 ( 4.443 -9.156 5.114) 11.390 11.219 ( -1.266 -7.172 -2.007) 7.554 11.219 ( -1.266 -7.172 2.007) 7.554 11.394 ( -0.290 -7.353 -2.127) 7.659 11.394 ( -0.290 -7.353 2.127) 7.659 11.475 ( -6.760 -4.927 -3.907) 9.233 11.475 ( -6.760 -4.927 3.907) 9.233 11.924 ( 14.312 -2.105 -6.416) 15.825 11.924 ( 14.312 -2.105 6.416) 15.825 12.152 ( -8.171 -2.044 -7.271) 11.127 12.152 ( -8.171 -2.044 7.271) 11.127 12.521 ( 5.682 -2.154 -3.464) 6.994 12.521 ( 5.682 -2.154 3.464) 6.994 12.613 ( -5.902 -0.196 -2.450) 6.393 12.613 ( -5.902 -0.196 2.450) 6.393 13.295 ( 4.225 2.595 -9.137) 10.395 13.295 ( 4.225 2.595 9.137) 10.395 13.386 ( -5.177 3.892 -10.631) 12.448 13.386 ( -5.177 3.892 10.631) 12.448 13.675 ( 8.976 7.047 -5.953) 12.871 13.675 ( 8.976 7.047 5.953) 12.871 13.841 ( -8.436 8.532 -4.338) 12.759 13.841 ( -8.436 8.532 4.338) 12.759 14.436 ( 5.457 -2.186 -2.590) 6.425 14.436 ( 5.457 -2.186 2.590) 6.424 14.539 ( -5.454 -2.258 -3.480) 6.852 14.539 ( -5.454 -2.258 3.480) 6.852 18.618 ( 8.439 0.979 -3.578) 9.219 18.618 ( 8.439 0.979 3.578) 9.219 18.762 ( -6.864 1.360 -3.397) 7.779 18.762 ( -6.864 1.360 3.397) 7.779 19.035 ( 2.855 -0.148 -0.320) 2.877 19.035 ( 2.855 -0.148 0.320) 2.877 19.097 ( -3.864 -1.379 -0.462) 4.128 19.097 ( -3.864 -1.379 0.462) 4.128 19.675 ( 12.379 -5.101 -1.512) 13.474 19.675 ( 12.379 -5.101 1.512) 13.474 19.919 ( -13.581 -6.276 -1.641) 15.051 19.919 ( -13.581 -6.276 1.641) 15.051 20.944 ( 2.867 0.115 -3.333) 4.398 20.944 ( 2.867 0.115 3.333) 4.398 20.994 ( -2.295 -0.419 -2.930) 3.745 20.994 ( -2.295 -0.419 2.930) 3.745 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 17.144 -26.340) 31.428 2.111 ( 0.000 17.144 26.340) 31.428 2.217 ( 0.000 22.578 -26.801) 35.043 2.217 ( 0.000 22.578 26.801) 35.043 2.767 ( 0.000 10.538 -4.982) 11.656 2.767 ( 0.000 10.538 4.982) 11.656 2.860 ( 0.000 -0.738 -12.565) 12.587 2.860 ( 0.000 -0.738 12.565) 12.587 2.913 ( 0.000 14.867 -6.859) 16.373 2.913 ( 0.000 14.867 6.859) 16.373 3.403 ( 0.000 15.145 -3.556) 15.557 3.403 ( 0.000 15.145 3.556) 15.557 3.470 ( 0.000 4.833 -0.680) 4.880 3.470 ( 0.000 4.833 0.680) 4.880 3.585 ( 0.000 16.345 -7.615) 18.032 3.585 ( 0.000 16.345 7.615) 18.032 3.699 ( 0.000 6.688 -5.966) 8.963 3.699 ( 0.000 6.688 5.966) 8.963 3.749 ( 0.000 14.435 -4.164) 15.023 3.749 ( 0.000 14.435 4.164) 15.023 4.039 ( 0.000 14.441 -7.397) 16.225 4.039 ( 0.000 14.441 7.397) 16.225 4.178 ( 0.000 4.096 -7.133) 8.225 4.178 ( 0.000 4.096 7.133) 8.225 4.307 ( 0.000 16.021 -5.592) 16.969 4.307 ( 0.000 16.021 5.592) 16.969 4.459 ( 0.000 11.537 -2.319) 11.768 4.459 ( 0.000 11.537 2.319) 11.768 4.583 ( 0.000 -5.248 -11.524) 12.662 4.583 ( 0.000 -5.248 11.524) 12.662 4.702 ( 0.000 0.550 -9.786) 9.801 4.702 ( 0.000 0.550 9.786) 9.801 4.759 ( 0.000 17.707 -4.855) 18.360 4.759 ( 0.000 17.707 4.855) 18.360 4.825 ( 0.000 -5.213 -9.071) 10.463 4.825 ( 0.000 -5.213 9.071) 10.463 4.999 ( 0.000 12.004 -4.931) 12.977 4.999 ( 0.000 12.004 4.931) 12.977 5.123 ( 0.000 -1.106 -6.908) 6.996 5.123 ( 0.000 -1.106 6.908) 6.996 5.166 ( 0.000 3.566 -10.992) 11.556 5.166 ( 0.000 3.566 10.992) 11.556 5.287 ( 0.000 -3.939 -6.357) 7.478 5.287 ( 0.000 -3.939 6.357) 7.478 5.452 ( 0.000 6.531 -4.828) 8.122 5.452 ( 0.000 6.531 4.828) 8.122 5.546 ( 0.000 -1.128 -11.826) 11.879 5.546 ( 0.000 -1.128 11.826) 11.879 5.738 ( 0.000 -7.249 -4.239) 8.398 5.738 ( 0.000 -7.249 4.239) 8.398 5.799 ( 0.000 4.601 -5.503) 7.173 5.799 ( 0.000 4.601 5.503) 7.173 6.044 ( 0.000 2.342 -3.347) 4.085 6.044 ( 0.000 2.342 3.347) 4.085 6.169 ( 0.000 -2.731 -6.705) 7.240 6.169 ( 0.000 -2.731 6.705) 7.240 6.359 ( 0.000 -4.117 -13.077) 13.710 6.359 ( 0.000 -4.117 13.077) 13.710 6.424 ( 0.000 -11.182 -8.572) 14.090 6.424 ( 0.000 -11.182 8.572) 14.090 6.550 ( 0.000 3.758 -5.885) 6.983 6.550 ( 0.000 3.758 5.885) 6.983 6.820 ( 0.000 1.382 -3.393) 3.663 6.820 ( 0.000 1.382 3.393) 3.663 6.909 ( 0.000 -7.326 -5.536) 9.182 6.909 ( 0.000 -7.326 5.536) 9.182 7.025 ( 0.000 -0.694 -0.633) 0.940 7.025 ( 0.000 -0.694 0.633) 0.940 7.131 ( 0.000 -2.085 -8.116) 8.379 7.131 ( 0.000 -2.085 8.116) 8.379 7.329 ( 0.000 -5.686 -7.183) 9.161 7.329 ( 0.000 -5.686 7.183) 9.161 7.444 ( 0.000 6.547 -14.153) 15.594 7.444 ( 0.000 6.547 14.153) 15.594 7.461 ( 0.000 -4.543 -7.357) 8.647 7.461 ( 0.000 -4.543 7.357) 8.647 7.602 ( 0.000 -2.014 -11.364) 11.541 7.602 ( 0.000 -2.014 11.364) 11.541 7.689 ( 0.000 8.675 -9.006) 12.504 7.689 ( 0.000 8.675 9.006) 12.504 7.712 ( 0.000 -0.400 -10.055) 10.063 7.712 ( 0.000 -0.400 10.055) 10.063 7.985 ( 0.000 -9.540 -3.320) 10.101 7.985 ( 0.000 -9.540 3.320) 10.101 8.113 ( 0.000 -1.096 -2.494) 2.724 8.113 ( 0.000 -1.096 2.494) 2.724 8.265 ( 0.000 -9.576 -0.390) 9.584 8.265 ( 0.000 -9.576 0.390) 9.584 8.303 ( 0.000 8.912 -0.758) 8.944 8.303 ( 0.000 8.912 0.758) 8.944 8.393 ( 0.000 -2.339 -3.499) 4.208 8.393 ( 0.000 -2.339 3.499) 4.208 8.556 ( 0.000 -0.552 -3.281) 3.327 8.556 ( 0.000 -0.552 3.281) 3.327 8.769 ( 0.000 3.336 -7.543) 8.247 8.769 ( 0.000 3.336 7.543) 8.247 8.780 ( 0.000 -2.369 -1.761) 2.952 8.780 ( 0.000 -2.369 1.761) 2.952 8.809 ( 0.000 -3.177 -5.975) 6.767 8.809 ( 0.000 -3.177 5.975) 6.767 8.842 ( 0.000 3.967 -4.920) 6.320 8.842 ( 0.000 3.967 4.920) 6.320 9.179 ( 0.000 -2.518 -2.805) 3.769 9.179 ( 0.000 -2.518 2.805) 3.769 9.332 ( 0.000 -0.432 -4.418) 4.439 9.332 ( 0.000 -0.432 4.418) 4.439 9.429 ( 0.000 -5.870 -3.206) 6.689 9.429 ( 0.000 -5.870 3.206) 6.689 9.697 ( 0.000 -1.290 -4.532) 4.712 9.697 ( 0.000 -1.290 4.532) 4.712 9.827 ( 0.000 -4.467 -2.132) 4.949 9.827 ( 0.000 -4.467 2.132) 4.949 10.048 ( 0.000 -2.462 -6.714) 7.151 10.048 ( 0.000 -2.462 6.714) 7.151 10.163 ( 0.000 -8.161 -2.577) 8.558 10.163 ( 0.000 -8.161 2.577) 8.558 10.340 ( 0.000 8.206 -6.155) 10.258 10.340 ( 0.000 8.206 6.155) 10.258 10.649 ( 0.000 0.034 -5.506) 5.506 10.649 ( 0.000 0.034 5.506) 5.506 10.684 ( 0.000 -6.440 -1.876) 6.707 10.684 ( 0.000 -6.440 1.876) 6.707 10.767 ( 0.000 -7.135 -2.167) 7.457 10.767 ( 0.000 -7.135 2.167) 7.457 11.009 ( 0.000 -6.698 -3.921) 7.761 11.009 ( 0.000 -6.698 3.921) 7.761 11.076 ( 0.000 -11.128 -2.088) 11.322 11.076 ( 0.000 -11.128 2.088) 11.322 11.322 ( 0.000 -2.898 -1.566) 3.294 11.322 ( 0.000 -2.898 1.566) 3.294 11.512 ( 0.000 5.245 -7.467) 9.125 11.512 ( 0.000 5.245 7.467) 9.125 11.566 ( 0.000 -1.289 -12.998) 13.061 11.566 ( 0.000 -1.289 12.998) 13.061 12.134 ( 0.000 -6.872 -15.792) 17.223 12.134 ( 0.000 -6.872 15.792) 17.223 12.289 ( 0.000 -3.865 -16.042) 16.501 12.289 ( 0.000 -3.865 16.042) 16.501 13.099 ( 0.000 4.076 -4.809) 6.304 13.099 ( 0.000 4.076 4.809) 6.304 13.128 ( 0.000 3.839 -9.034) 9.816 13.128 ( 0.000 3.839 9.034) 9.816 13.310 ( 0.000 -8.116 -6.750) 10.556 13.310 ( 0.000 -8.116 6.750) 10.556 13.654 ( 0.000 5.620 -9.128) 10.720 13.654 ( 0.000 5.620 9.128) 10.720 14.217 ( 0.000 -7.865 -2.169) 8.159 14.217 ( 0.000 -7.865 2.169) 8.159 14.297 ( 0.000 12.012 -4.142) 12.706 14.297 ( 0.000 12.012 4.142) 12.706 14.675 ( 0.000 1.278 -13.843) 13.902 14.675 ( 0.000 1.278 13.843) 13.902 18.455 ( 0.000 4.489 -1.931) 4.887 18.455 ( 0.000 4.489 1.931) 4.887 18.910 ( 0.000 -2.166 -2.808) 3.546 18.910 ( 0.000 -2.166 2.808) 3.546 19.069 ( 0.000 7.000 -0.774) 7.043 19.069 ( 0.000 7.000 0.774) 7.043 19.171 ( 0.000 -5.811 -6.640) 8.824 19.171 ( 0.000 -5.811 6.640) 8.824 19.247 ( 0.000 -2.572 -4.275) 4.989 19.247 ( 0.000 -2.572 4.275) 4.989 20.022 ( 0.000 -12.698 -1.623) 12.801 20.022 ( 0.000 -12.698 1.623) 12.801 20.893 ( 0.000 0.669 -4.675) 4.723 20.893 ( 0.000 0.669 4.675) 4.723 21.001 ( 0.000 -1.856 -3.283) 3.771 21.001 ( 0.000 -1.856 3.283) 3.771 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 1.424 17.236 -20.898) 27.126 2.035 ( 1.424 17.236 20.898) 27.126 2.436 ( 13.416 19.675 -20.491) 31.416 2.436 ( 13.416 19.675 20.491) 31.416 2.704 ( -6.543 8.381 -8.375) 13.535 2.704 ( -6.543 8.381 8.375) 13.535 2.814 ( 1.685 10.538 -1.250) 10.745 2.814 ( 1.685 10.538 1.250) 10.745 3.069 ( 7.177 7.721 -6.117) 12.188 3.069 ( 7.177 7.721 6.117) 12.188 3.226 ( -10.551 10.845 -3.384) 15.504 3.226 ( -10.551 10.845 3.384) 15.504 3.465 ( -4.487 12.866 -2.200) 13.803 3.465 ( -4.487 12.866 2.200) 13.803 3.538 ( -11.362 7.597 -2.307) 13.861 3.538 ( -11.362 7.597 2.307) 13.861 3.624 ( -0.535 16.131 -1.980) 16.261 3.624 ( -0.535 16.131 1.980) 16.261 3.885 ( -2.321 13.739 -1.642) 14.030 3.885 ( -2.321 13.739 1.642) 14.030 3.943 ( 10.536 7.702 -5.519) 14.170 3.943 ( 10.536 7.702 5.519) 14.170 4.127 ( 1.462 8.760 -4.574) 9.990 4.127 ( 1.462 8.760 4.574) 9.990 4.332 ( -5.257 6.834 -3.139) 9.176 4.332 ( -5.257 6.834 3.139) 9.176 4.469 ( -1.877 7.408 -2.950) 8.192 4.469 ( -1.877 7.408 2.950) 8.192 4.563 ( -1.931 3.114 -5.335) 6.473 4.563 ( -1.931 3.114 5.335) 6.473 4.706 ( -1.510 10.500 -1.731) 10.748 4.706 ( -1.510 10.500 1.731) 10.748 4.848 ( 2.674 4.188 -6.470) 8.158 4.848 ( 2.674 4.188 6.470) 8.158 4.892 ( 4.353 5.532 -4.803) 8.522 4.892 ( 4.353 5.532 4.803) 8.522 4.923 ( 0.405 4.597 -5.793) 7.406 4.923 ( 0.405 4.597 5.793) 7.406 5.067 ( -1.026 3.304 -3.006) 4.583 5.067 ( -1.026 3.304 3.006) 4.583 5.200 ( 2.688 1.069 -3.781) 4.761 5.200 ( 2.688 1.069 3.781) 4.761 5.345 ( 4.466 0.151 -4.141) 6.092 5.345 ( 4.466 0.151 4.141) 6.092 5.505 ( 2.263 3.942 -3.998) 6.054 5.505 ( 2.263 3.942 3.998) 6.054 5.625 ( 7.229 -1.812 -4.747) 8.836 5.625 ( 7.229 -1.812 4.747) 8.836 5.733 ( 3.745 -3.769 -4.429) 6.917 5.733 ( 3.745 -3.769 4.429) 6.917 5.920 ( 10.149 1.175 -1.473) 10.323 5.920 ( 10.149 1.175 1.473) 10.323 6.047 ( 0.367 -0.115 -1.500) 1.549 6.047 ( 0.367 -0.115 1.500) 1.549 6.154 ( -2.033 -2.665 -7.438) 8.158 6.154 ( -2.033 -2.665 7.438) 8.158 6.329 ( -3.303 -6.925 -8.473) 11.430 6.329 ( -3.303 -6.925 8.473) 11.430 6.405 ( -0.379 -3.628 -3.321) 4.933 6.405 ( -0.379 -3.628 3.321) 4.933 6.527 ( -1.072 0.627 -4.660) 4.822 6.527 ( -1.072 0.627 4.660) 4.822 6.740 ( -6.511 0.354 -1.621) 6.719 6.740 ( -6.511 0.354 1.621) 6.719 6.912 ( -4.906 -2.317 -2.792) 6.102 6.912 ( -4.906 -2.317 2.792) 6.102 6.984 ( -4.494 -2.326 -4.935) 7.069 6.984 ( -4.494 -2.326 4.935) 7.069 7.132 ( -7.617 2.954 -7.872) 11.345 7.132 ( -7.617 2.954 7.872) 11.345 7.223 ( 0.485 -4.746 -5.917) 7.601 7.223 ( 0.485 -4.746 5.917) 7.601 7.348 ( -3.993 1.265 -3.329) 5.350 7.348 ( -3.993 1.265 3.329) 5.350 7.487 ( -2.124 -6.611 -5.403) 8.798 7.487 ( -2.124 -6.611 5.403) 8.798 7.618 ( -4.187 -1.274 -8.953) 9.965 7.618 ( -4.187 -1.274 8.953) 9.965 7.686 ( 2.868 4.214 -4.491) 6.794 7.686 ( 2.868 4.214 4.491) 6.794 7.756 ( 3.108 3.635 -1.378) 4.977 7.756 ( 3.108 3.635 1.378) 4.977 7.903 ( -3.934 -9.320 -0.697) 10.140 7.903 ( -3.934 -9.320 0.697) 10.140 8.118 ( 0.805 -1.078 -2.511) 2.848 8.118 ( 0.805 -1.078 2.511) 2.848 8.296 ( 2.276 -2.809 -1.499) 3.914 8.296 ( 2.276 -2.809 1.499) 3.914 8.369 ( 2.343 2.483 -2.462) 4.209 8.369 ( 2.343 2.483 2.462) 4.209 8.401 ( 1.756 -0.524 -2.532) 3.126 8.401 ( 1.756 -0.524 2.532) 3.126 8.548 ( -0.946 -0.762 -3.616) 3.815 8.548 ( -0.946 -0.762 3.616) 3.815 8.631 ( -1.821 1.813 -2.922) 3.891 8.631 ( -1.821 1.813 2.922) 3.891 8.789 ( 1.575 -1.584 -4.383) 4.919 8.789 ( 1.575 -1.584 4.383) 4.919 8.845 ( 2.236 -1.460 -1.301) 2.971 8.845 ( 2.236 -1.460 1.301) 2.971 8.970 ( 3.298 -1.616 -0.725) 3.744 8.970 ( 3.298 -1.616 0.725) 3.744 9.257 ( 6.490 -0.394 -3.119) 7.212 9.257 ( 6.490 -0.394 3.119) 7.212 9.270 ( -4.083 -4.870 -6.491) 9.084 9.270 ( -4.083 -4.870 6.491) 9.084 9.513 ( 2.820 -6.332 -1.020) 7.006 9.513 ( 2.820 -6.332 1.020) 7.006 9.712 ( 4.810 0.218 -4.277) 6.440 9.712 ( 4.810 0.218 4.277) 6.440 9.867 ( 3.371 -3.351 -4.041) 6.239 9.867 ( 3.371 -3.351 4.041) 6.239 10.000 ( -2.718 -2.810 -5.350) 6.626 10.000 ( -2.718 -2.810 5.350) 6.626 10.192 ( -0.256 -2.374 -1.972) 3.096 10.192 ( -0.256 -2.374 1.972) 3.096 10.321 ( -0.092 3.940 -3.947) 5.578 10.321 ( -0.092 3.940 3.947) 5.578 10.624 ( -3.499 -0.496 -4.749) 5.920 10.624 ( -3.499 -0.496 4.749) 5.920 10.668 ( -0.835 -6.249 -1.298) 6.437 10.668 ( -0.835 -6.249 1.298) 6.437 10.784 ( 0.964 -5.824 -2.641) 6.467 10.784 ( 0.964 -5.824 2.641) 6.467 10.926 ( -3.326 -7.968 -1.926) 8.846 10.926 ( -3.326 -7.968 1.926) 8.846 11.101 ( -2.474 -8.508 -2.260) 9.144 11.101 ( -2.474 -8.508 2.260) 9.144 11.319 ( 0.450 -2.617 -1.885) 3.257 11.319 ( 0.450 -2.617 1.885) 3.257 11.462 ( -0.966 2.319 -5.964) 6.472 11.462 ( -0.966 2.319 5.964) 6.472 11.670 ( 7.254 -1.349 -10.123) 12.527 11.670 ( 7.254 -1.349 10.123) 12.527 12.154 ( -0.221 -4.450 -3.807) 5.861 12.154 ( -0.221 -4.450 3.807) 5.861 12.304 ( 3.082 -7.177 -3.847) 8.706 12.304 ( 3.082 -7.177 3.847) 8.706 12.860 ( -13.841 2.189 -0.962) 14.046 12.860 ( -13.841 2.189 0.962) 14.046 13.274 ( 5.663 3.480 -7.802) 10.249 13.274 ( 5.663 3.480 7.802) 10.249 13.414 ( 8.357 -3.188 -3.001) 9.434 13.414 ( 8.357 -3.188 3.001) 9.434 13.657 ( 1.230 4.584 -8.342) 9.597 13.657 ( 1.230 4.584 8.342) 9.597 14.196 ( -7.148 4.332 -3.647) 9.119 14.196 ( -7.148 4.332 3.647) 9.119 14.280 ( 3.213 0.035 -2.725) 4.214 14.280 ( 3.213 0.035 2.725) 4.214 14.629 ( -4.580 1.289 -10.374) 11.413 14.629 ( -4.580 1.289 10.374) 11.413 18.513 ( 5.744 3.357 -1.883) 6.914 18.513 ( 5.744 3.357 1.883) 6.914 18.880 ( -3.628 -1.527 -2.854) 4.862 18.880 ( -3.628 -1.527 2.854) 4.862 19.044 ( -1.199 3.379 -0.624) 3.640 19.044 ( -1.199 3.379 0.624) 3.640 19.130 ( -2.436 -0.491 -2.201) 3.319 19.130 ( -2.436 -0.491 2.201) 3.319 19.359 ( 8.944 -5.135 -1.518) 10.424 19.359 ( 8.944 -5.135 1.518) 10.424 19.944 ( -7.847 -11.353 -1.397) 13.871 19.944 ( -7.847 -11.353 1.397) 13.871 20.907 ( 1.481 0.410 -4.108) 4.386 20.907 ( 1.481 0.410 4.108) 4.386 20.998 ( -0.529 -1.684 -3.098) 3.566 20.998 ( -0.529 -1.684 3.098) 3.566 ======================= Grid point 114 (39/45) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 15.060 11.929 -10.999) 22.138 2.205 ( 15.060 11.929 10.999) 22.138 2.475 ( -10.186 4.549 -7.182) 13.268 2.475 ( -10.186 4.549 7.182) 13.268 2.753 ( 7.506 23.960 -11.231) 27.506 2.753 ( 7.506 23.960 11.232) 27.506 2.825 ( -0.417 13.148 -3.097) 13.514 2.825 ( -0.417 13.148 3.097) 13.514 3.015 ( -1.664 14.001 -2.577) 14.333 3.015 ( -1.664 14.001 2.577) 14.333 3.159 ( -4.134 6.941 -3.762) 8.912 3.159 ( -4.134 6.941 3.762) 8.912 3.279 ( -10.582 21.402 -7.219) 24.943 3.279 ( -10.582 21.402 7.219) 24.943 3.300 ( -7.848 7.271 -2.860) 11.074 3.300 ( -7.848 7.271 2.860) 11.074 3.793 ( 14.523 9.695 -10.030) 20.138 3.793 ( 14.523 9.695 10.030) 20.138 3.943 ( 4.484 6.877 -6.771) 10.641 3.943 ( 4.484 6.877 6.771) 10.641 4.090 ( 0.265 3.240 -2.544) 4.128 4.090 ( 0.265 3.240 2.544) 4.128 4.162 ( -4.869 7.303 -7.522) 11.560 4.162 ( -4.869 7.303 7.522) 11.560 4.234 ( 5.636 7.094 -1.571) 9.196 4.234 ( 5.636 7.094 1.571) 9.196 4.390 ( -6.130 9.380 -4.618) 12.120 4.390 ( -6.130 9.380 4.618) 12.120 4.514 ( -1.323 6.068 -2.448) 6.676 4.514 ( -1.323 6.068 2.448) 6.676 4.604 ( -7.994 4.380 -3.269) 9.684 4.604 ( -7.994 4.380 3.269) 9.684 4.841 ( 0.256 6.214 -6.629) 9.089 4.841 ( 0.256 6.214 6.629) 9.089 4.875 ( -1.722 6.124 -3.319) 7.175 4.875 ( -1.722 6.124 3.319) 7.175 5.017 ( 4.648 11.419 -2.282) 12.539 5.017 ( 4.648 11.419 2.282) 12.539 5.084 ( -0.701 6.710 -2.355) 7.146 5.084 ( -0.701 6.710 2.355) 7.146 5.328 ( 7.722 0.122 -6.066) 9.820 5.328 ( 7.722 0.122 6.066) 9.820 5.413 ( -0.709 1.954 -4.580) 5.029 5.413 ( -0.709 1.954 4.580) 5.029 5.552 ( 6.807 0.116 -1.803) 7.043 5.552 ( 6.807 0.116 1.803) 7.043 5.668 ( -2.324 -3.427 -5.205) 6.651 5.668 ( -2.324 -3.427 5.205) 6.651 5.908 ( 8.959 -3.551 -0.602) 9.656 5.908 ( 8.959 -3.551 0.602) 9.656 6.008 ( -3.813 -1.503 -0.983) 4.215 6.008 ( -3.813 -1.503 0.983) 4.215 6.121 ( 7.988 -4.681 -2.446) 9.576 6.121 ( 7.988 -4.681 2.446) 9.576 6.182 ( 6.211 -1.087 -5.301) 8.238 6.182 ( 6.211 -1.087 5.301) 8.238 6.283 ( 1.869 -2.803 -5.404) 6.368 6.283 ( 1.869 -2.803 5.404) 6.368 6.411 ( -0.280 1.057 -2.990) 3.183 6.411 ( -0.280 1.057 2.990) 3.183 6.470 ( -5.982 -5.101 -5.357) 9.513 6.470 ( -5.982 -5.101 5.357) 9.513 6.603 ( -12.895 2.967 -4.878) 14.102 6.603 ( -12.895 2.967 4.878) 14.102 6.765 ( 1.194 0.658 -1.594) 2.097 6.765 ( 1.194 0.658 1.594) 2.097 6.870 ( -6.447 -0.293 -2.388) 6.881 6.870 ( -6.447 -0.293 2.388) 6.881 7.043 ( -1.897 1.872 -6.760) 7.267 7.043 ( -1.897 1.872 6.760) 7.267 7.112 ( -9.517 -3.477 -2.742) 10.496 7.112 ( -9.517 -3.477 2.742) 10.496 7.367 ( 3.139 -2.454 -2.719) 4.823 7.367 ( 3.139 -2.454 2.719) 4.823 7.429 ( -3.394 -1.879 -3.223) 5.044 7.429 ( -3.394 -1.879 3.223) 5.044 7.612 ( 4.869 0.751 -3.699) 6.161 7.612 ( 4.869 0.751 3.699) 6.161 7.702 ( -2.423 2.537 -4.561) 5.754 7.702 ( -2.423 2.537 4.561) 5.754 7.803 ( 2.883 -4.217 -4.667) 6.919 7.803 ( 2.883 -4.217 4.667) 6.919 7.859 ( -2.564 -8.025 -1.872) 8.630 7.859 ( -2.564 -8.025 1.872) 8.630 8.155 ( 3.445 -1.781 -2.098) 4.409 8.155 ( 3.445 -1.781 2.098) 4.409 8.243 ( -5.451 -1.517 -1.585) 5.876 8.243 ( -5.451 -1.517 1.585) 5.876 8.417 ( 3.385 0.390 -3.514) 4.895 8.417 ( 3.385 0.390 3.514) 4.895 8.455 ( 0.156 1.359 -2.764) 3.084 8.455 ( 0.156 1.359 2.764) 3.084 8.585 ( 5.838 4.639 -3.875) 8.403 8.585 ( 5.838 4.639 3.875) 8.403 8.664 ( -0.098 3.993 -2.454) 4.688 8.664 ( -0.098 3.993 2.454) 4.688 8.828 ( 3.386 -4.995 -6.900) 9.167 8.828 ( 3.386 -4.995 6.900) 9.167 8.880 ( 0.490 -4.589 -3.617) 5.863 8.880 ( 0.490 -4.589 3.617) 5.863 8.988 ( 2.320 -4.433 -2.969) 5.818 8.988 ( 2.320 -4.433 2.969) 5.818 9.127 ( -9.594 -5.485 -5.230) 12.226 9.127 ( -9.594 -5.485 5.230) 12.226 9.401 ( 6.194 -2.791 -0.889) 6.852 9.401 ( 6.194 -2.791 0.889) 6.852 9.485 ( -3.434 -5.339 -0.794) 6.397 9.485 ( -3.434 -5.339 0.794) 6.397 9.851 ( 6.584 -0.972 -4.085) 7.809 9.851 ( 6.584 -0.972 4.085) 7.809 9.914 ( -0.076 -3.310 -3.752) 5.004 9.914 ( -0.076 -3.310 3.752) 5.004 10.001 ( 3.970 0.954 -6.483) 7.662 10.001 ( 3.970 0.954 6.483) 7.662 10.113 ( -6.548 3.099 -2.798) 7.766 10.113 ( -6.548 3.099 2.798) 7.766 10.381 ( 5.709 -0.524 -2.109) 6.109 10.381 ( 5.709 -0.524 2.109) 6.109 10.511 ( -7.538 -0.905 -1.585) 7.756 10.511 ( -7.538 -0.905 1.585) 7.756 10.691 ( 3.280 -5.400 -1.938) 6.609 10.691 ( 3.280 -5.400 1.938) 6.609 10.763 ( -3.434 -3.977 -1.582) 5.487 10.763 ( -3.434 -3.977 1.582) 5.487 10.928 ( 3.317 -10.069 -2.227) 10.833 10.928 ( 3.317 -10.069 2.227) 10.833 11.017 ( -5.389 -9.069 -3.336) 11.064 11.017 ( -5.389 -9.069 3.336) 11.064 11.353 ( 3.581 1.441 -4.764) 6.131 11.353 ( 3.581 1.441 4.764) 6.131 11.430 ( -3.508 0.680 -6.003) 6.986 11.430 ( -3.508 0.680 6.003) 6.986 11.851 ( 11.842 -4.715 -12.370) 17.762 11.851 ( 11.842 -4.715 12.370) 17.762 12.061 ( -9.248 -6.427 -14.204) 18.126 12.061 ( -9.248 -6.427 14.204) 18.126 12.428 ( 9.036 -5.054 -3.915) 11.069 12.428 ( 9.036 -5.054 3.915) 11.069 12.620 ( -11.622 -0.450 -1.744) 11.760 12.620 ( -11.622 -0.450 1.744) 11.760 13.381 ( 5.948 3.562 -7.559) 10.257 13.381 ( 5.948 3.562 7.559) 10.257 13.472 ( -2.571 3.440 -7.568) 8.701 13.472 ( -2.571 3.440 7.568) 8.701 13.771 ( 10.882 2.597 -6.626) 13.002 13.771 ( 10.882 2.597 6.626) 13.002 13.998 ( -12.411 5.562 -6.879) 15.241 13.998 ( -12.411 5.562 6.879) 15.241 14.386 ( 7.009 -1.528 -2.147) 7.488 14.386 ( 7.009 -1.528 2.147) 7.488 14.519 ( -6.881 0.396 -4.845) 8.425 14.519 ( -6.881 0.396 4.845) 8.425 18.643 ( 7.591 1.414 -2.547) 8.131 18.643 ( 7.591 1.414 2.547) 8.131 18.779 ( -6.721 -0.136 -2.738) 7.258 18.779 ( -6.721 -0.136 2.738) 7.258 19.048 ( 1.403 1.455 -0.962) 2.238 19.048 ( 1.403 1.455 0.962) 2.238 19.085 ( -2.368 1.101 -1.341) 2.936 19.085 ( -2.368 1.101 1.341) 2.936 19.548 ( 11.065 -6.739 -1.241) 13.015 19.548 ( 11.065 -6.739 1.241) 13.015 19.759 ( -11.245 -8.831 -1.161) 14.345 19.759 ( -11.245 -8.831 1.161) 14.345 20.943 ( 2.102 -0.285 -3.209) 3.847 20.943 ( 2.102 -0.285 3.209) 3.847 20.978 ( -1.567 -1.097 -2.889) 3.464 20.978 ( -1.567 -1.097 2.889) 3.464 ======================= Grid point 120 (40/45) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 11.878 -19.110) 22.500 2.427 ( 0.000 11.878 19.110) 22.500 2.538 ( 0.000 6.811 -22.624) 23.628 2.538 ( 0.000 6.811 22.624) 23.628 2.851 ( 0.000 1.764 -13.603) 13.717 2.851 ( 0.000 1.764 13.603) 13.717 2.924 ( 0.000 7.187 -6.312) 9.566 2.924 ( 0.000 7.187 6.312) 9.566 3.161 ( 0.000 8.633 -3.946) 9.492 3.161 ( 0.000 8.633 3.946) 9.492 3.485 ( 0.000 -3.333 -11.922) 12.379 3.485 ( 0.000 -3.333 11.922) 12.379 3.608 ( 0.000 8.104 -2.955) 8.626 3.608 ( 0.000 8.104 2.955) 8.626 3.780 ( 0.000 10.119 -2.621) 10.453 3.780 ( 0.000 10.119 2.621) 10.453 3.840 ( 0.000 4.369 -6.519) 7.847 3.840 ( 0.000 4.369 6.519) 7.847 4.107 ( 0.000 12.158 -1.666) 12.272 4.107 ( 0.000 12.158 1.666) 12.272 4.219 ( 0.000 -5.148 -6.852) 8.571 4.219 ( 0.000 -5.148 6.852) 8.571 4.417 ( 0.000 -5.000 -2.759) 5.710 4.417 ( 0.000 -5.000 2.759) 5.710 4.418 ( 0.000 19.103 -4.727) 19.679 4.418 ( 0.000 19.103 4.727) 19.679 4.595 ( 0.000 -7.360 -5.856) 9.406 4.595 ( 0.000 -7.360 5.856) 9.406 4.632 ( 0.000 10.213 -2.752) 10.578 4.632 ( 0.000 10.213 2.752) 10.578 4.788 ( 0.000 17.177 -5.638) 18.079 4.788 ( 0.000 17.177 5.638) 18.079 4.811 ( 0.000 1.013 -0.094) 1.017 4.811 ( 0.000 1.013 0.094) 1.017 5.094 ( 0.000 11.277 -4.744) 12.235 5.094 ( 0.000 11.277 4.744) 12.235 5.163 ( 0.000 -1.026 -2.151) 2.383 5.163 ( 0.000 -1.026 2.151) 2.383 5.228 ( 0.000 11.039 -5.162) 12.186 5.228 ( 0.000 11.039 5.162) 12.186 5.257 ( 0.000 4.918 -6.580) 8.215 5.257 ( 0.000 4.918 6.580) 8.215 5.344 ( 0.000 18.159 -7.511) 19.652 5.344 ( 0.000 18.159 7.511) 19.652 5.507 ( 0.000 -7.992 -9.167) 12.162 5.507 ( 0.000 -7.992 9.167) 12.162 5.577 ( 0.000 -3.313 -11.210) 11.689 5.577 ( 0.000 -3.313 11.210) 11.689 5.606 ( 0.000 7.458 -10.129) 12.579 5.606 ( 0.000 7.458 10.129) 12.579 5.995 ( 0.000 14.182 -5.977) 15.390 5.995 ( 0.000 14.182 5.977) 15.390 6.100 ( 0.000 1.888 -7.343) 7.581 6.100 ( 0.000 1.888 7.343) 7.581 6.114 ( 0.000 -3.626 -9.117) 9.811 6.114 ( 0.000 -3.626 9.117) 9.811 6.245 ( 0.000 -6.906 -12.936) 14.664 6.245 ( 0.000 -6.906 12.936) 14.664 6.283 ( 0.000 2.320 -5.867) 6.309 6.283 ( 0.000 2.320 5.867) 6.309 6.576 ( 0.000 2.353 -1.334) 2.704 6.576 ( 0.000 2.353 1.334) 2.704 6.695 ( 0.000 -12.199 -4.014) 12.843 6.695 ( 0.000 -12.199 4.014) 12.843 6.840 ( 0.000 -17.583 -2.526) 17.764 6.840 ( 0.000 -17.583 2.526) 17.764 6.916 ( 0.000 5.307 -2.373) 5.813 6.916 ( 0.000 5.307 2.373) 5.813 7.133 ( 0.000 2.854 -2.012) 3.492 7.133 ( 0.000 2.854 2.012) 3.492 7.172 ( 0.000 -12.003 -3.581) 12.526 7.172 ( 0.000 -12.003 3.581) 12.526 7.334 ( 0.000 -10.404 -7.264) 12.689 7.334 ( 0.000 -10.404 7.264) 12.689 7.502 ( 0.000 -9.998 -2.608) 10.333 7.502 ( 0.000 -9.998 2.608) 10.333 7.614 ( 0.000 8.757 -10.403) 13.598 7.614 ( 0.000 8.757 10.403) 13.598 7.662 ( 0.000 -6.959 -12.111) 13.968 7.662 ( 0.000 -6.959 12.111) 13.968 7.771 ( 0.000 -1.877 -11.895) 12.042 7.771 ( 0.000 -1.877 11.895) 12.042 7.850 ( 0.000 3.412 -4.357) 5.534 7.850 ( 0.000 3.412 4.357) 5.534 8.072 ( 0.000 1.753 -3.391) 3.818 8.072 ( 0.000 1.753 3.391) 3.818 8.156 ( 0.000 2.768 -0.828) 2.889 8.156 ( 0.000 2.768 0.828) 2.889 8.349 ( 0.000 -3.705 -9.192) 9.910 8.349 ( 0.000 -3.705 9.192) 9.910 8.406 ( 0.000 0.544 -3.082) 3.130 8.406 ( 0.000 0.544 3.082) 3.130 8.463 ( 0.000 -5.571 -6.024) 8.205 8.463 ( 0.000 -5.571 6.024) 8.205 8.707 ( 0.000 -6.359 -7.072) 9.510 8.707 ( 0.000 -6.359 7.072) 9.510 8.800 ( 0.000 3.865 -4.104) 5.637 8.800 ( 0.000 3.865 4.104) 5.637 8.889 ( 0.000 5.617 -4.967) 7.498 8.889 ( 0.000 5.617 4.967) 7.498 8.969 ( 0.000 5.648 -5.284) 7.734 8.969 ( 0.000 5.648 5.284) 7.734 9.063 ( 0.000 -8.230 -3.692) 9.020 9.063 ( 0.000 -8.230 3.692) 9.020 9.300 ( 0.000 -2.132 -2.550) 3.324 9.300 ( 0.000 -2.132 2.550) 3.324 9.316 ( 0.000 -3.713 -4.028) 5.478 9.316 ( 0.000 -3.713 4.028) 5.478 9.712 ( 0.000 1.714 -8.501) 8.672 9.712 ( 0.000 1.714 8.501) 8.672 9.740 ( 0.000 -2.974 -2.951) 4.190 9.740 ( 0.000 -2.974 2.951) 4.190 9.976 ( 0.000 -3.443 -7.288) 8.060 9.976 ( 0.000 -3.443 7.288) 8.060 10.027 ( 0.000 -4.919 -3.991) 6.334 10.027 ( 0.000 -4.919 3.991) 6.334 10.444 ( 0.000 1.255 -8.653) 8.744 10.444 ( 0.000 1.255 8.653) 8.744 10.576 ( 0.000 -6.116 -3.458) 7.026 10.576 ( 0.000 -6.116 3.458) 7.026 10.648 ( 0.000 3.386 -8.064) 8.746 10.648 ( 0.000 3.386 8.064) 8.746 10.721 ( 0.000 1.612 -4.730) 4.998 10.721 ( 0.000 1.612 4.730) 4.998 10.883 ( 0.000 -3.891 -2.907) 4.857 10.883 ( 0.000 -3.891 2.907) 4.857 10.901 ( 0.000 -6.337 -4.241) 7.625 10.901 ( 0.000 -6.337 4.241) 7.625 11.288 ( 0.000 0.047 -3.103) 3.103 11.288 ( 0.000 0.047 3.103) 3.103 11.500 ( 0.000 -5.413 -10.757) 12.042 11.500 ( 0.000 -5.413 10.757) 12.042 11.772 ( 0.000 15.536 -9.366) 18.141 11.772 ( 0.000 15.536 9.366) 18.141 11.994 ( 0.000 -5.706 -12.427) 13.674 11.994 ( 0.000 -5.706 12.427) 13.674 12.208 ( 0.000 -0.408 -11.377) 11.384 12.208 ( 0.000 -0.408 11.377) 11.384 12.898 ( 0.000 -19.771 -7.072) 20.998 12.898 ( 0.000 -19.771 7.072) 20.998 13.228 ( 0.000 4.957 -11.278) 12.319 13.228 ( 0.000 4.957 11.278) 12.319 13.291 ( 0.000 2.591 -10.176) 10.501 13.291 ( 0.000 2.591 10.176) 10.501 13.774 ( 0.000 5.850 -5.229) 7.846 13.774 ( 0.000 5.850 5.229) 7.846 14.042 ( 0.000 -8.277 -5.140) 9.743 14.042 ( 0.000 -8.277 5.140) 9.743 14.505 ( 0.000 8.170 -7.862) 11.338 14.505 ( 0.000 8.170 7.862) 11.338 14.684 ( 0.000 -0.910 -14.253) 14.282 14.684 ( 0.000 -0.910 14.253) 14.282 18.564 ( 0.000 6.141 -2.367) 6.581 18.564 ( 0.000 6.141 2.367) 6.581 18.832 ( 0.000 -5.584 -2.836) 6.263 18.832 ( 0.000 -5.584 2.836) 6.263 19.093 ( 0.000 -1.572 -5.354) 5.580 19.093 ( 0.000 -1.572 5.354) 5.580 19.137 ( 0.000 -1.648 -4.603) 4.889 19.137 ( 0.000 -1.648 4.603) 4.889 19.295 ( 0.000 8.738 -1.032) 8.799 19.295 ( 0.000 8.738 1.032) 8.799 19.762 ( 0.000 -12.674 -2.005) 12.832 19.762 ( 0.000 -12.674 2.005) 12.832 20.907 ( 0.000 0.774 -4.170) 4.241 20.907 ( 0.000 0.774 4.170) 4.241 20.962 ( 0.000 -1.907 -3.592) 4.066 20.962 ( 0.000 -1.907 3.592) 4.066 ======================= Grid point 122 (41/45) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -1.596 11.918 -15.376) 19.519 2.349 ( -1.596 11.918 15.376) 19.519 2.579 ( -1.664 -0.980 -14.302) 14.432 2.579 ( -1.664 -0.980 14.302) 14.432 2.898 ( 3.809 4.532 -9.249) 10.982 2.898 ( 3.809 4.532 9.249) 10.982 3.020 ( 10.519 12.490 -12.512) 20.572 3.020 ( 10.519 12.490 12.512) 20.572 3.173 ( 1.076 4.043 -2.280) 4.765 3.173 ( 1.076 4.043 2.280) 4.765 3.440 ( -4.863 7.871 -5.629) 10.830 3.440 ( -4.863 7.871 5.629) 10.830 3.541 ( -7.978 3.152 -1.267) 8.671 3.541 ( -7.978 3.152 1.267) 8.671 3.794 ( 0.761 8.156 -3.975) 9.105 3.794 ( 0.761 8.156 3.975) 9.105 3.874 ( 2.919 -0.096 -2.678) 3.963 3.874 ( 2.919 -0.096 2.678) 3.963 3.964 ( -8.169 14.553 -7.371) 18.245 3.964 ( -8.169 14.553 7.371) 18.245 4.221 ( -0.588 -2.879 -7.003) 7.595 4.221 ( -0.588 -2.879 7.003) 7.595 4.340 ( -2.391 11.374 -3.036) 12.012 4.340 ( -2.391 11.374 3.036) 12.012 4.429 ( -1.303 1.267 -3.891) 4.295 4.429 ( -1.303 1.267 3.891) 4.295 4.527 ( -3.061 5.006 -3.057) 6.616 4.527 ( -3.061 5.006 3.057) 6.616 4.718 ( -0.773 7.767 -2.730) 8.269 4.718 ( -0.773 7.767 2.730) 8.269 4.832 ( 3.626 6.845 -2.563) 8.159 4.832 ( 3.626 6.845 2.563) 8.159 4.914 ( 7.820 -0.354 -6.052) 9.895 4.914 ( 7.820 -0.354 6.052) 9.895 5.034 ( -4.883 4.412 -0.795) 6.629 5.034 ( -4.883 4.412 0.795) 6.629 5.151 ( 2.434 13.886 -2.384) 14.298 5.151 ( 2.434 13.886 2.384) 14.298 5.191 ( -3.612 7.245 -7.100) 10.767 5.191 ( -3.612 7.245 7.100) 10.767 5.280 ( 0.088 7.959 -1.504) 8.100 5.280 ( 0.088 7.959 1.504) 8.100 5.393 ( 7.717 6.940 -2.340) 10.639 5.393 ( 7.717 6.940 2.340) 10.639 5.541 ( 2.538 -0.449 -5.834) 6.378 5.541 ( 2.538 -0.449 5.834) 6.378 5.640 ( 7.765 -1.475 -2.932) 8.430 5.640 ( 7.765 -1.475 2.932) 8.430 5.690 ( 5.336 3.158 -1.600) 6.403 5.690 ( 5.336 3.158 1.600) 6.403 5.993 ( -1.788 5.066 -4.173) 6.802 5.993 ( -1.788 5.066 4.173) 6.802 6.093 ( 0.416 3.267 -5.467) 6.383 6.093 ( 0.416 3.267 5.467) 6.383 6.120 ( -0.213 0.891 -1.188) 1.500 6.120 ( -0.213 0.891 1.188) 1.500 6.185 ( -0.240 -2.901 -6.514) 7.135 6.185 ( -0.240 -2.901 6.514) 7.135 6.377 ( 5.123 0.600 -5.045) 7.215 6.377 ( 5.123 0.600 5.045) 7.215 6.513 ( -5.090 0.786 -0.182) 5.154 6.513 ( -5.090 0.786 0.182) 5.154 6.726 ( 1.943 -8.643 -4.097) 9.760 6.726 ( 1.943 -8.643 4.097) 9.760 6.784 ( -5.267 -5.792 -4.909) 9.241 6.784 ( -5.267 -5.792 4.909) 9.241 6.945 ( 2.382 -5.109 -1.901) 5.949 6.945 ( 2.382 -5.109 1.901) 5.949 7.060 ( -5.019 -4.093 -4.632) 7.962 7.060 ( -5.019 -4.093 4.632) 7.962 7.156 ( -2.346 -7.235 -0.219) 7.609 7.156 ( -2.346 -7.235 0.219) 7.609 7.357 ( -12.244 4.832 -8.735) 15.797 7.357 ( -12.244 4.832 8.735) 15.797 7.436 ( -0.141 -1.901 -4.919) 5.275 7.436 ( -0.141 -1.901 4.919) 5.275 7.504 ( 0.268 -15.997 -2.945) 16.268 7.504 ( 0.268 -15.997 2.945) 16.268 7.674 ( 0.188 -1.361 -8.754) 8.861 7.674 ( 0.188 -1.361 8.754) 8.861 7.800 ( -0.746 2.988 -5.186) 6.032 7.800 ( -0.746 2.988 5.186) 6.032 7.824 ( -1.087 2.548 -5.108) 5.811 7.824 ( -1.087 2.548 5.108) 5.811 8.057 ( -2.433 -1.636 -3.433) 4.514 8.057 ( -2.433 -1.636 3.433) 4.514 8.191 ( 0.305 -3.350 -0.487) 3.399 8.191 ( 0.305 -3.350 0.487) 3.399 8.303 ( -2.673 -6.721 -3.311) 7.954 8.303 ( -2.673 -6.721 3.311) 7.954 8.402 ( 3.250 -1.889 -3.805) 5.349 8.402 ( 3.250 -1.889 3.805) 5.349 8.554 ( 7.625 1.349 -5.611) 9.563 8.554 ( 7.625 1.349 5.611) 9.563 8.690 ( 0.174 0.489 -3.099) 3.143 8.690 ( 0.174 0.489 3.099) 3.143 8.796 ( 0.032 1.964 -1.191) 2.298 8.796 ( 0.032 1.964 1.191) 2.298 8.848 ( -1.695 1.492 -1.299) 2.605 8.848 ( -1.695 1.492 1.299) 2.605 8.973 ( -0.920 0.896 -0.145) 1.292 8.973 ( -0.920 0.896 0.145) 1.292 9.136 ( -0.003 -4.892 -3.202) 5.847 9.136 ( -0.003 -4.892 3.202) 5.847 9.242 ( 0.171 -1.131 -1.306) 1.736 9.242 ( 0.171 -1.131 1.306) 1.736 9.364 ( 0.161 -7.683 -1.481) 7.826 9.364 ( 0.161 -7.683 1.481) 7.826 9.745 ( 5.386 1.792 -4.830) 7.453 9.745 ( 5.386 1.792 4.830) 7.453 9.813 ( 5.020 -0.941 -2.811) 5.830 9.813 ( 5.020 -0.941 2.811) 5.830 9.945 ( 0.062 -2.005 -2.009) 2.839 9.945 ( 0.062 -2.005 2.009) 2.839 10.110 ( 5.954 -4.443 -4.859) 8.877 10.110 ( 5.954 -4.443 4.859) 8.877 10.405 ( -3.677 2.558 -7.647) 8.862 10.405 ( -3.677 2.558 7.647) 8.862 10.546 ( -2.916 -4.314 -1.469) 5.410 10.546 ( -2.916 -4.314 1.469) 5.410 10.634 ( -0.955 1.256 -6.836) 7.015 10.634 ( -0.955 1.256 6.836) 7.015 10.734 ( 0.576 -0.276 -4.315) 4.362 10.734 ( 0.576 -0.276 4.315) 4.362 10.798 ( -3.774 -3.148 -1.798) 5.233 10.798 ( -3.774 -3.148 1.798) 5.233 10.954 ( -0.365 -5.692 -3.489) 6.686 10.954 ( -0.365 -5.692 3.489) 6.686 11.300 ( 2.869 0.946 -4.532) 5.446 11.300 ( 2.869 0.946 4.532) 5.446 11.494 ( -0.830 -3.365 -7.967) 8.688 11.494 ( -0.830 -3.365 7.967) 8.688 11.744 ( -0.573 8.721 -2.305) 9.038 11.744 ( -0.573 8.721 2.305) 9.038 12.069 ( 0.595 -3.643 -10.626) 11.249 12.069 ( 0.595 -3.643 10.626) 11.249 12.181 ( 2.322 -0.699 -6.937) 7.349 12.181 ( 2.322 -0.699 6.937) 7.349 12.774 ( -10.530 -12.084 -2.224) 16.182 12.774 ( -10.530 -12.084 2.224) 16.182 13.272 ( 4.861 -0.515 -8.327) 9.656 13.272 ( 4.861 -0.515 8.327) 9.656 13.432 ( 10.883 2.919 -10.213) 15.208 13.432 ( 10.883 2.919 10.213) 15.208 13.733 ( -2.547 2.617 -2.709) 4.547 13.733 ( -2.547 2.617 2.709) 4.547 14.099 ( 4.095 -5.340 -5.077) 8.430 14.099 ( 4.095 -5.340 5.077) 8.430 14.432 ( -6.307 7.317 -9.675) 13.672 14.432 ( -6.307 7.317 9.675) 13.672 14.645 ( -4.217 -0.173 -10.972) 11.756 14.645 ( -4.217 -0.173 10.972) 11.756 18.597 ( 3.296 4.791 -2.301) 6.254 18.597 ( 3.296 4.791 2.301) 6.254 18.813 ( -2.151 -4.672 -2.395) 5.673 18.813 ( -2.151 -4.672 2.395) 5.673 19.064 ( -0.522 0.347 -2.035) 2.129 19.064 ( -0.522 0.347 2.035) 2.129 19.185 ( 1.106 0.850 -1.891) 2.350 19.185 ( 1.106 0.850 1.891) 2.350 19.309 ( 3.077 3.449 -1.363) 4.818 19.309 ( 3.077 3.449 1.363) 4.818 19.709 ( -5.405 -11.477 -1.971) 12.838 19.709 ( -5.405 -11.477 1.971) 12.838 20.916 ( 0.892 0.500 -3.732) 3.870 20.916 ( 0.892 0.500 3.732) 3.870 20.961 ( -0.122 -1.729 -3.304) 3.732 20.961 ( -0.122 -1.729 3.304) 3.732 ======================= Grid point 124 (42/45) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 6.104 6.548 -10.940) 14.136 2.404 ( 6.104 6.548 10.940) 14.136 2.512 ( -4.741 -0.358 -10.173) 11.229 2.512 ( -4.741 -0.358 10.173) 11.229 2.971 ( 5.201 5.634 -5.566) 9.475 2.971 ( 5.201 5.634 5.566) 9.475 3.093 ( -5.039 7.632 -3.000) 9.625 3.093 ( -5.039 7.632 3.000) 9.625 3.299 ( 4.665 9.741 -6.024) 12.367 3.299 ( 4.665 9.741 6.024) 12.367 3.330 ( 0.409 5.467 -5.499) 7.765 3.330 ( 0.409 5.467 5.499) 7.765 3.409 ( -1.149 9.783 -1.353) 9.943 3.409 ( -1.149 9.783 1.353) 9.943 3.618 ( -14.179 9.671 -9.114) 19.433 3.618 ( -14.179 9.671 9.114) 19.433 3.969 ( 8.121 4.490 -5.464) 10.769 3.969 ( 8.121 4.490 5.464) 10.769 4.042 ( 6.206 7.789 -5.131) 11.203 4.042 ( 6.206 7.789 5.131) 11.203 4.177 ( -2.514 1.588 -3.734) 4.773 4.177 ( -2.514 1.588 3.734) 4.773 4.268 ( -6.254 -1.642 -0.453) 6.482 4.268 ( -6.254 -1.642 0.453) 6.482 4.444 ( 3.943 4.097 -4.094) 7.006 4.444 ( 3.943 4.097 4.094) 7.006 4.521 ( -0.329 11.998 -5.262) 13.105 4.521 ( -0.329 11.998 5.262) 13.105 4.652 ( -0.960 6.418 -1.656) 6.698 4.652 ( -0.960 6.418 1.656) 6.698 4.772 ( -9.420 9.775 -3.755) 14.085 4.772 ( -9.420 9.775 3.755) 14.085 4.951 ( 1.055 5.650 -5.752) 8.132 4.951 ( 1.055 5.650 5.752) 8.132 4.997 ( -2.843 4.669 -4.678) 7.194 4.997 ( -2.843 4.669 4.678) 7.194 5.203 ( 5.421 1.695 -0.445) 5.697 5.203 ( 5.421 1.695 0.445) 5.697 5.239 ( 2.223 7.664 -5.192) 9.520 5.239 ( 2.223 7.664 5.192) 9.520 5.342 ( 6.934 4.597 -2.039) 8.566 5.342 ( 6.934 4.597 2.039) 8.566 5.461 ( -1.881 3.136 -2.537) 4.451 5.461 ( -1.881 3.136 2.537) 4.451 5.616 ( 3.629 4.647 -0.720) 5.940 5.616 ( 3.629 4.647 0.720) 5.940 5.700 ( -3.642 6.516 -3.207) 8.124 5.700 ( -3.642 6.516 3.207) 8.124 5.836 ( 11.314 -2.911 -4.288) 12.445 5.836 ( 11.314 -2.911 4.288) 12.445 5.961 ( -2.124 -2.086 -2.459) 3.861 5.961 ( -2.124 -2.086 2.459) 3.861 6.093 ( 1.693 -2.621 -8.214) 8.786 6.093 ( 1.693 -2.621 8.214) 8.786 6.136 ( 1.341 1.236 -6.052) 6.321 6.136 ( 1.341 1.236 6.052) 6.321 6.254 ( 4.099 0.288 -4.029) 5.755 6.254 ( 4.099 0.288 4.029) 5.755 6.361 ( -6.707 -1.881 -4.042) 8.054 6.361 ( -6.707 -1.881 4.042) 8.054 6.495 ( 6.016 4.804 -6.474) 10.059 6.495 ( 6.016 4.804 6.474) 10.059 6.667 ( -7.460 0.937 -5.289) 9.192 6.667 ( -7.460 0.937 5.289) 9.192 6.783 ( 3.481 -1.604 -4.460) 5.881 6.783 ( 3.481 -1.604 4.460) 5.881 6.887 ( -7.856 2.542 -4.782) 9.542 6.887 ( -7.856 2.542 4.782) 9.542 7.012 ( 0.399 -4.652 -2.600) 5.344 7.012 ( 0.399 -4.652 2.600) 5.344 7.079 ( -5.327 -0.733 -4.351) 6.917 7.079 ( -5.327 -0.733 4.351) 6.917 7.211 ( 0.319 -6.877 -3.940) 7.932 7.211 ( 0.319 -6.877 3.940) 7.932 7.302 ( -8.284 -8.477 -1.411) 11.936 7.302 ( -8.284 -8.477 1.411) 11.936 7.622 ( 6.052 -7.423 -1.863) 9.757 7.622 ( 6.052 -7.423 1.863) 9.757 7.692 ( 0.682 -1.799 -1.395) 2.377 7.692 ( 0.682 -1.799 1.395) 2.377 7.744 ( -1.410 0.328 -3.473) 3.762 7.744 ( -1.410 0.328 3.473) 3.762 7.801 ( -3.199 2.519 -3.876) 5.621 7.801 ( -3.199 2.519 3.876) 5.621 8.053 ( 3.263 -4.919 -2.283) 6.329 8.053 ( 3.263 -4.919 2.283) 6.329 8.137 ( -4.784 -5.373 -0.746) 7.233 8.137 ( -4.784 -5.373 0.746) 7.233 8.340 ( 4.914 -7.882 -6.064) 11.093 8.340 ( 4.914 -7.882 6.064) 11.093 8.423 ( -2.694 -5.755 -8.388) 10.523 8.423 ( -2.694 -5.755 8.388) 10.523 8.710 ( 7.444 3.850 -4.599) 9.559 8.710 ( 7.444 3.850 4.599) 9.559 8.738 ( 3.927 0.060 -3.282) 5.118 8.738 ( 3.927 0.060 3.282) 5.118 8.792 ( -0.796 3.639 -1.387) 3.975 8.792 ( -0.796 3.639 1.387) 3.975 8.815 ( -2.131 2.366 -2.096) 3.812 8.815 ( -2.131 2.366 2.096) 3.812 8.958 ( 0.811 1.672 -0.601) 1.953 8.958 ( 0.811 1.672 0.601) 1.953 9.044 ( -6.822 -1.302 -3.902) 7.967 9.044 ( -6.822 -1.302 3.902) 7.967 9.285 ( 2.442 -8.060 -1.880) 8.629 9.285 ( 2.442 -8.060 1.880) 8.629 9.331 ( -2.616 -9.147 -0.975) 9.564 9.331 ( -2.616 -9.147 0.975) 9.564 9.831 ( 2.941 -0.768 -1.890) 3.579 9.831 ( 2.941 -0.768 1.890) 3.579 9.861 ( -0.241 -1.641 -2.491) 2.993 9.861 ( -0.241 -1.641 2.491) 2.993 10.048 ( 9.193 3.454 -3.042) 10.281 10.048 ( 9.193 3.454 3.042) 10.281 10.175 ( -2.034 1.690 -2.898) 3.923 10.175 ( -2.034 1.690 2.898) 3.923 10.369 ( 2.814 -0.495 -1.653) 3.301 10.369 ( 2.814 -0.495 1.653) 3.301 10.473 ( -5.520 -3.371 -2.967) 7.116 10.473 ( -5.520 -3.371 2.967) 7.116 10.629 ( 1.325 0.287 -5.285) 5.456 10.629 ( 1.325 0.287 5.285) 5.456 10.687 ( -4.258 -2.680 -3.828) 6.321 10.687 ( -4.258 -2.680 3.828) 6.321 10.806 ( 3.525 -2.259 -3.746) 5.618 10.806 ( 3.525 -2.259 3.746) 5.618 10.890 ( -4.982 -3.961 -3.489) 7.259 10.890 ( -4.982 -3.961 3.489) 7.259 11.391 ( 5.364 1.867 -2.352) 6.147 11.391 ( 5.364 1.867 2.352) 6.147 11.465 ( -2.498 0.355 -5.237) 5.813 11.465 ( -2.498 0.355 5.237) 5.813 11.791 ( 5.775 0.147 -8.845) 10.565 11.791 ( 5.775 0.147 8.845) 10.565 11.942 ( -9.425 -3.494 -13.388) 16.741 11.942 ( -9.425 -3.494 13.388) 16.741 12.345 ( 11.131 -2.338 -1.721) 11.503 12.345 ( 11.131 -2.338 1.721) 11.503 12.561 ( -11.818 -5.790 -1.275) 13.222 12.561 ( -11.818 -5.790 1.275) 13.222 13.392 ( 7.406 -1.341 -6.740) 10.104 13.392 ( 7.406 -1.341 6.740) 10.104 13.513 ( -3.948 0.448 -7.224) 8.244 13.513 ( -3.948 0.448 7.224) 8.244 13.814 ( 12.396 1.909 -6.185) 13.984 13.814 ( 12.396 1.909 6.185) 13.984 14.057 ( -10.471 0.975 -6.826) 12.537 14.057 ( -10.471 0.975 6.826) 12.537 14.401 ( 4.978 2.247 -8.081) 9.754 14.401 ( 4.978 2.247 8.081) 9.754 14.533 ( -7.399 0.481 -7.268) 10.383 14.533 ( -7.399 0.481 7.268) 10.383 18.674 ( 4.510 1.581 -2.297) 5.303 18.674 ( 4.510 1.581 2.297) 5.303 18.754 ( -3.936 -1.963 -2.165) 4.903 18.754 ( -3.936 -1.963 2.165) 4.903 19.087 ( 2.769 2.515 -1.739) 4.125 19.087 ( 2.769 2.515 1.739) 4.125 19.151 ( -3.491 4.265 -1.437) 5.696 19.151 ( -3.491 4.265 1.437) 5.696 19.423 ( 7.951 -4.695 -1.817) 9.411 19.423 ( 7.951 -4.695 1.817) 9.411 19.577 ( -8.161 -8.584 -1.890) 11.994 19.577 ( -8.161 -8.584 1.890) 11.994 20.936 ( 1.157 -0.240 -3.000) 3.225 20.936 ( 1.157 -0.240 3.000) 3.225 20.954 ( -0.708 -1.122 -2.864) 3.157 20.954 ( -0.708 -1.122 2.864) 3.157 ======================= Grid point 130 (43/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 -1.919 -20.184) 20.275 2.560 ( 0.000 1.919 -20.184) 20.275 2.560 ( 0.000 -1.919 20.184) 20.275 2.560 ( 0.000 1.919 20.184) 20.275 2.949 ( 0.000 -5.139 -8.656) 10.067 2.949 ( 0.000 5.139 -8.656) 10.067 2.949 ( 0.000 -5.139 8.656) 10.067 2.949 ( 0.000 5.139 8.656) 10.067 3.345 ( 0.000 -8.971 -13.451) 16.168 3.345 ( 0.000 8.971 -13.451) 16.168 3.345 ( 0.000 -8.971 13.451) 16.168 3.345 ( 0.000 8.971 13.451) 16.168 3.801 ( 0.000 -8.425 -5.611) 10.123 3.801 ( 0.000 -8.425 5.611) 10.123 3.801 ( 0.000 8.425 -5.611) 10.123 3.801 ( 0.000 8.425 5.611) 10.123 3.996 ( 0.000 -10.849 -4.958) 11.928 3.996 ( 0.000 -10.849 4.958) 11.928 3.996 ( 0.000 10.849 -4.958) 11.928 3.996 ( 0.000 10.849 4.958) 11.928 4.302 ( 0.000 -8.538 -6.825) 10.931 4.302 ( 0.000 8.538 -6.825) 10.931 4.302 ( 0.000 -8.538 6.825) 10.931 4.302 ( 0.000 8.538 6.825) 10.931 4.580 ( 0.000 -1.793 -7.213) 7.433 4.580 ( 0.000 1.793 -7.213) 7.433 4.580 ( 0.000 -1.793 7.213) 7.433 4.580 ( 0.000 1.793 7.213) 7.433 4.789 ( 0.000 -4.783 -4.683) 6.694 4.789 ( 0.000 4.783 -4.683) 6.694 4.789 ( 0.000 -4.783 4.683) 6.694 4.789 ( 0.000 4.783 4.683) 6.694 5.051 ( 0.000 -8.923 -2.082) 9.162 5.051 ( 0.000 -8.923 2.082) 9.162 5.051 ( 0.000 8.923 -2.082) 9.162 5.051 ( 0.000 8.923 2.082) 9.162 5.270 ( 0.000 -8.015 -9.241) 12.233 5.270 ( 0.000 8.015 -9.241) 12.233 5.270 ( 0.000 -8.015 9.241) 12.233 5.270 ( 0.000 8.015 9.241) 12.233 5.360 ( 0.000 -0.942 -5.563) 5.642 5.360 ( 0.000 0.942 -5.563) 5.642 5.360 ( 0.000 -0.942 5.563) 5.642 5.360 ( 0.000 0.942 5.563) 5.642 5.568 ( 0.000 -0.003 -8.000) 8.000 5.568 ( 0.000 0.003 -8.000) 8.000 5.568 ( 0.000 -0.003 8.000) 8.000 5.568 ( 0.000 0.003 8.000) 8.000 5.919 ( 0.000 -18.121 -7.791) 19.725 5.919 ( 0.000 -18.121 7.791) 19.725 5.919 ( 0.000 18.121 -7.791) 19.725 5.919 ( 0.000 18.121 7.791) 19.725 6.123 ( 0.000 -3.998 -8.569) 9.456 6.123 ( 0.000 3.998 -8.569) 9.456 6.123 ( 0.000 -3.998 8.569) 9.456 6.123 ( 0.000 3.998 8.569) 9.456 6.398 ( 0.000 -20.398 -4.778) 20.951 6.398 ( 0.000 -20.398 4.778) 20.951 6.398 ( 0.000 20.398 -4.778) 20.951 6.398 ( 0.000 20.398 4.778) 20.951 6.456 ( 0.000 -12.209 -9.566) 15.510 6.456 ( 0.000 12.209 -9.566) 15.510 6.456 ( 0.000 -12.209 9.566) 15.510 6.456 ( 0.000 12.209 9.566) 15.510 6.814 ( 0.000 -21.761 -1.468) 21.811 6.814 ( 0.000 -21.761 1.468) 21.811 6.814 ( 0.000 21.761 -1.468) 21.811 6.814 ( 0.000 21.761 1.468) 21.811 7.036 ( 0.000 -8.451 -3.455) 9.130 7.036 ( 0.000 -8.451 3.455) 9.130 7.036 ( 0.000 8.451 -3.455) 9.130 7.036 ( 0.000 8.451 3.455) 9.130 7.262 ( 0.000 -9.543 -4.531) 10.564 7.262 ( 0.000 -9.543 4.531) 10.564 7.262 ( 0.000 9.543 -4.531) 10.564 7.262 ( 0.000 9.543 4.531) 10.564 7.719 ( 0.000 -1.355 -3.793) 4.028 7.719 ( 0.000 1.355 -3.793) 4.028 7.719 ( 0.000 -1.355 3.793) 4.028 7.719 ( 0.000 1.355 3.793) 4.028 7.784 ( 0.000 -1.976 -6.616) 6.905 7.784 ( 0.000 1.976 -6.616) 6.905 7.784 ( 0.000 -1.976 6.616) 6.905 7.784 ( 0.000 1.976 6.616) 6.905 8.219 ( 0.000 -5.428 -11.035) 12.298 8.219 ( 0.000 5.428 -11.035) 12.298 8.219 ( 0.000 -5.428 11.035) 12.298 8.219 ( 0.000 5.428 11.035) 12.298 8.295 ( 0.000 -5.902 -0.901) 5.971 8.295 ( 0.000 -5.902 0.901) 5.971 8.295 ( 0.000 5.902 -0.901) 5.971 8.295 ( 0.000 5.902 0.901) 5.971 8.514 ( 0.000 -9.003 -7.295) 11.587 8.514 ( 0.000 9.003 -7.295) 11.587 8.514 ( 0.000 -9.003 7.295) 11.587 8.514 ( 0.000 9.003 7.295) 11.587 8.901 ( 0.000 -5.324 -4.237) 6.804 8.901 ( 0.000 5.324 -4.237) 6.804 8.901 ( 0.000 -5.324 4.237) 6.804 8.901 ( 0.000 5.324 4.237) 6.804 9.004 ( 0.000 -1.348 -4.566) 4.761 9.004 ( 0.000 1.348 -4.566) 4.761 9.004 ( 0.000 -1.348 4.566) 4.761 9.004 ( 0.000 1.348 4.566) 4.761 9.276 ( 0.000 -0.384 -4.834) 4.849 9.276 ( 0.000 0.384 -4.834) 4.849 9.276 ( 0.000 -0.384 4.834) 4.849 9.276 ( 0.000 0.384 4.834) 4.849 9.722 ( 0.000 -0.234 -5.257) 5.263 9.722 ( 0.000 0.234 -5.257) 5.263 9.722 ( 0.000 -0.234 5.257) 5.263 9.722 ( 0.000 0.234 5.257) 5.263 9.958 ( 0.000 -1.306 -5.209) 5.370 9.958 ( 0.000 1.306 -5.209) 5.370 9.958 ( 0.000 -1.306 5.209) 5.370 9.958 ( 0.000 1.306 5.209) 5.370 10.477 ( 0.000 -3.008 -3.445) 4.574 10.477 ( 0.000 3.008 -3.445) 4.574 10.477 ( 0.000 -3.008 3.445) 4.574 10.477 ( 0.000 3.008 3.445) 4.574 10.721 ( 0.000 -2.442 -6.131) 6.599 10.721 ( 0.000 2.442 -6.131) 6.599 10.721 ( 0.000 -2.442 6.131) 6.599 10.721 ( 0.000 2.442 6.131) 6.599 10.841 ( 0.000 -0.216 -5.463) 5.467 10.841 ( 0.000 0.216 -5.463) 5.467 10.841 ( 0.000 -0.216 5.463) 5.467 10.841 ( 0.000 0.216 5.463) 5.467 11.362 ( 0.000 -6.596 -8.168) 10.499 11.362 ( 0.000 6.596 -8.168) 10.499 11.362 ( 0.000 -6.596 8.168) 10.499 11.362 ( 0.000 6.596 8.168) 10.499 11.927 ( 0.000 -0.850 -14.378) 14.403 11.927 ( 0.000 0.850 -14.378) 14.403 11.927 ( 0.000 -0.850 14.378) 14.403 11.927 ( 0.000 0.850 14.378) 14.403 12.452 ( 0.000 -21.397 -7.085) 22.540 12.452 ( 0.000 -21.397 7.085) 22.540 12.452 ( 0.000 21.397 -7.085) 22.540 12.452 ( 0.000 21.397 7.085) 22.540 13.301 ( 0.000 -1.005 -11.946) 11.988 13.301 ( 0.000 1.005 -11.946) 11.988 13.301 ( 0.000 -1.005 11.946) 11.989 13.301 ( 0.000 1.005 11.946) 11.989 13.895 ( 0.000 -5.257 -6.325) 8.225 13.895 ( 0.000 5.257 -6.325) 8.225 13.895 ( 0.000 -5.257 6.325) 8.225 13.895 ( 0.000 5.257 6.325) 8.225 14.631 ( 0.000 -4.010 -11.405) 12.089 14.631 ( 0.000 4.010 -11.405) 12.089 14.631 ( 0.000 -4.010 11.405) 12.089 14.631 ( 0.000 4.010 11.405) 12.089 18.700 ( 0.000 -6.882 -2.541) 7.336 18.700 ( 0.000 -6.882 2.541) 7.336 18.700 ( 0.000 6.882 -2.541) 7.336 18.700 ( 0.000 6.882 2.541) 7.336 19.096 ( 0.000 -1.097 -4.425) 4.559 19.096 ( 0.000 1.097 -4.425) 4.559 19.096 ( 0.000 -1.097 4.425) 4.559 19.096 ( 0.000 1.097 4.425) 4.559 19.511 ( 0.000 -11.649 -1.808) 11.789 19.511 ( 0.000 -11.649 1.808) 11.789 19.511 ( 0.000 11.649 -1.808) 11.789 19.511 ( 0.000 11.649 1.808) 11.789 20.928 ( 0.000 -1.354 -3.830) 4.062 20.928 ( 0.000 1.354 -3.830) 4.062 20.928 ( 0.000 -1.354 3.830) 4.062 20.928 ( 0.000 1.354 3.830) 4.062 ======================= Grid point 134 (44/45) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -2.923 0.000 -17.274) 17.520 2.477 ( -2.923 0.000 17.274) 17.520 2.551 ( -3.331 0.000 -15.810) 16.157 2.551 ( -3.331 0.000 15.810) 16.157 2.991 ( 3.394 0.000 -7.002) 7.782 2.991 ( 3.394 -0.000 7.002) 7.782 3.051 ( 6.976 0.000 -9.071) 11.443 3.051 ( 6.976 0.000 9.071) 11.443 3.288 ( 2.241 0.000 -15.706) 15.865 3.288 ( 2.241 0.000 15.706) 15.865 3.507 ( 8.087 0.000 -11.927) 14.410 3.507 ( 8.087 0.000 11.927) 14.410 3.656 ( -11.271 0.000 -12.569) 16.882 3.656 ( -11.271 0.000 12.569) 16.882 3.732 ( -8.521 0.000 -7.660) 11.457 3.732 ( -8.521 -0.000 7.660) 11.457 3.993 ( 3.553 0.000 -1.720) 3.947 3.993 ( 3.553 0.000 1.720) 3.947 4.056 ( 2.030 -0.000 -4.838) 5.246 4.056 ( 2.030 -0.000 4.838) 5.246 4.268 ( -3.649 0.000 -10.120) 10.758 4.268 ( -3.649 0.000 10.120) 10.758 4.270 ( -0.941 -0.000 -8.900) 8.950 4.270 ( -0.941 0.000 8.900) 8.950 4.494 ( -4.319 0.000 -8.903) 9.895 4.494 ( -4.319 0.000 8.903) 9.895 4.616 ( -0.530 -0.000 -4.764) 4.793 4.616 ( -0.530 0.000 4.764) 4.793 4.819 ( 0.053 -0.000 -4.422) 4.422 4.819 ( 0.053 0.000 4.422) 4.422 4.860 ( 4.184 -0.000 -9.137) 10.049 4.860 ( 4.184 0.000 9.137) 10.049 5.016 ( 2.470 0.000 -2.183) 3.296 5.016 ( 2.470 -0.000 2.183) 3.296 5.031 ( -2.157 0.000 -1.858) 2.847 5.031 ( -2.157 -0.000 1.858) 2.847 5.219 ( 3.481 -0.000 -2.876) 4.515 5.219 ( 3.481 0.000 2.876) 4.515 5.235 ( -8.530 -0.000 -8.795) 12.252 5.235 ( -8.530 0.000 8.795) 12.252 5.444 ( 0.775 0.000 -2.118) 2.256 5.444 ( 0.775 0.000 2.118) 2.256 5.488 ( 10.809 -0.000 -8.995) 14.062 5.488 ( 10.809 -0.000 8.995) 14.062 5.598 ( 7.829 0.000 -3.280) 8.489 5.598 ( 7.829 -0.000 3.280) 8.489 5.608 ( 2.609 -0.000 -5.451) 6.044 5.608 ( 2.609 0.000 5.451) 6.044 5.796 ( -3.663 0.000 -6.152) 7.160 5.796 ( -3.663 0.000 6.152) 7.160 5.993 ( -0.888 0.000 -14.986) 15.012 5.993 ( -0.888 -0.000 14.986) 15.012 6.121 ( -3.772 -0.000 -1.284) 3.985 6.121 ( -3.772 0.000 1.284) 3.985 6.139 ( 2.060 0.000 -11.348) 11.533 6.139 ( 2.060 0.000 11.348) 11.533 6.322 ( 4.052 -0.000 -2.362) 4.690 6.322 ( 4.052 0.000 2.362) 4.690 6.413 ( -3.179 -0.000 -3.691) 4.871 6.413 ( -3.179 -0.000 3.691) 4.871 6.443 ( -0.391 0.000 -5.073) 5.088 6.443 ( -0.391 0.000 5.073) 5.088 6.593 ( 5.511 -0.000 -3.774) 6.679 6.593 ( 5.511 0.000 3.774) 6.679 6.769 ( 0.468 0.000 -1.980) 2.034 6.769 ( 0.468 -0.000 1.980) 2.034 6.822 ( -0.696 -0.000 -3.793) 3.857 6.822 ( -0.696 0.000 3.793) 3.857 6.987 ( -2.260 0.000 -2.377) 3.280 6.987 ( -2.260 0.000 2.377) 3.280 7.053 ( -0.115 0.000 -2.996) 2.998 7.053 ( -0.115 0.000 2.996) 2.998 7.226 ( -1.490 0.000 -4.376) 4.623 7.226 ( -1.490 0.000 4.376) 4.623 7.355 ( 5.094 0.000 -2.777) 5.802 7.355 ( 5.094 -0.000 2.777) 5.802 7.484 ( -14.203 0.000 -9.144) 16.892 7.484 ( -14.203 0.000 9.144) 16.892 7.748 ( 1.021 -0.000 -4.254) 4.375 7.748 ( 1.021 0.000 4.254) 4.375 7.770 ( 2.406 0.000 -4.459) 5.066 7.770 ( 2.406 0.000 4.459) 5.066 7.893 ( -4.160 0.000 -6.722) 7.905 7.893 ( -4.160 0.000 6.722) 7.905 8.082 ( -5.588 -0.000 -12.807) 13.973 8.082 ( -5.588 0.000 12.807) 13.973 8.155 ( -6.061 -0.000 -2.225) 6.457 8.155 ( -6.061 0.000 2.225) 6.457 8.172 ( -6.051 0.000 -4.411) 7.489 8.172 ( -6.051 -0.000 4.411) 7.489 8.380 ( 3.337 0.000 -10.378) 10.901 8.380 ( 3.337 0.000 10.378) 10.901 8.605 ( 9.193 0.000 -1.435) 9.304 8.605 ( 9.193 0.000 1.435) 9.304 8.627 ( 7.297 -0.000 -9.081) 11.650 8.627 ( 7.297 0.000 9.081) 11.650 8.839 ( -2.539 0.000 -3.356) 4.208 8.839 ( -2.539 -0.000 3.356) 4.208 8.844 ( -2.530 0.000 -5.945) 6.461 8.844 ( -2.530 -0.000 5.945) 6.461 9.005 ( 2.270 0.000 -6.825) 7.193 9.005 ( 2.270 0.000 6.825) 7.193 9.102 ( 1.231 0.000 -3.620) 3.824 9.102 ( 1.231 -0.000 3.620) 3.824 9.234 ( -4.697 0.000 -3.345) 5.767 9.234 ( -4.697 0.000 3.345) 5.767 9.255 ( -2.647 0.000 -5.121) 5.765 9.255 ( -2.647 0.000 5.121) 5.765 9.784 ( 3.218 -0.000 -2.868) 4.311 9.784 ( 3.218 0.000 2.868) 4.311 9.785 ( 7.238 -0.000 -7.711) 10.576 9.785 ( 7.238 0.000 7.711) 10.576 9.939 ( 2.960 0.000 -4.355) 5.266 9.939 ( 2.960 0.000 4.355) 5.266 10.049 ( 6.317 0.000 -6.256) 8.890 10.049 ( 6.317 0.000 6.256) 8.890 10.436 ( -2.235 0.000 -4.463) 4.992 10.436 ( -2.235 -0.000 4.463) 4.992 10.488 ( -1.873 0.000 -3.980) 4.398 10.488 ( -1.873 0.000 3.980) 4.398 10.665 ( -2.384 -0.000 -2.834) 3.703 10.665 ( -2.384 0.000 2.834) 3.703 10.709 ( -2.429 0.000 -5.508) 6.020 10.709 ( -2.429 0.000 5.508) 6.020 10.804 ( -1.355 0.000 -0.556) 1.465 10.804 ( -1.355 -0.000 0.556) 1.465 10.881 ( -0.035 0.000 -5.867) 5.867 10.881 ( -0.035 0.000 5.867) 5.867 11.345 ( 2.302 0.000 -10.055) 10.315 11.345 ( 2.302 0.000 10.055) 10.315 11.415 ( 2.137 0.000 -3.487) 4.089 11.415 ( 2.137 -0.000 3.487) 4.089 11.831 ( -4.002 0.000 -15.852) 16.349 11.831 ( -4.002 0.000 15.852) 16.349 12.010 ( 1.124 0.000 -9.816) 9.880 12.010 ( 1.124 0.000 9.816) 9.880 12.348 ( -4.052 0.000 -7.894) 8.873 12.348 ( -4.052 0.000 7.894) 8.873 12.489 ( -0.774 -0.000 -2.731) 2.838 12.489 ( -0.774 0.000 2.731) 2.838 13.279 ( 2.556 0.000 -9.921) 10.245 13.279 ( 2.556 0.000 9.921) 10.245 13.463 ( 10.295 0.000 -12.068) 15.863 13.463 ( 10.295 0.000 12.068) 15.863 13.760 ( -5.225 0.000 -4.451) 6.864 13.760 ( -5.225 0.000 4.451) 6.864 14.043 ( 6.919 0.000 -6.090) 9.217 14.043 ( 6.919 0.000 6.090) 9.217 14.518 ( -7.918 0.000 -13.282) 15.463 14.518 ( -7.918 0.000 13.282) 15.463 14.633 ( -2.991 0.000 -8.535) 9.044 14.633 ( -2.991 0.000 8.535) 9.044 18.693 ( 0.169 0.000 -3.090) 3.094 18.693 ( 0.169 0.000 3.090) 3.094 18.716 ( 0.694 -0.000 -2.073) 2.186 18.716 ( 0.694 -0.000 2.073) 2.186 19.074 ( 0.820 -0.000 -4.721) 4.792 19.074 ( 0.820 0.000 4.721) 4.792 19.165 ( 3.891 0.000 -5.806) 6.989 19.165 ( 3.891 0.000 5.806) 6.989 19.449 ( -4.352 0.000 -1.627) 4.646 19.449 ( -4.352 -0.000 1.627) 4.646 19.510 ( -1.933 -0.000 -2.020) 2.796 19.510 ( -1.933 0.000 2.020) 2.796 20.931 ( 0.327 -0.000 -3.389) 3.404 20.931 ( 0.327 -0.000 3.389) 3.404 20.932 ( 0.349 0.000 -3.586) 3.603 20.932 ( 0.349 0.000 3.586) 3.603 ======================= Grid point 138 (45/45) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 1.238 0.000 -14.973) 15.024 2.468 ( 1.238 0.000 14.973) 15.024 2.498 ( -1.971 0.000 -13.768) 13.908 2.498 ( -1.971 0.000 13.768) 13.908 3.074 ( 5.873 0.000 -3.268) 6.720 3.074 ( 5.873 0.000 3.268) 6.720 3.131 ( 2.079 0.000 -3.146) 3.771 3.131 ( 2.079 0.000 3.146) 3.771 3.331 ( -2.381 0.000 -7.027) 7.419 3.331 ( -2.381 0.000 7.027) 7.419 3.395 ( -10.311 0.000 -6.547) 12.214 3.395 ( -10.311 0.000 6.547) 12.214 3.629 ( 2.332 0.000 -4.162) 4.771 3.629 ( 2.332 0.000 4.162) 4.771 3.667 ( 2.607 -0.000 -10.213) 10.541 3.667 ( 2.607 0.000 10.213) 10.541 4.064 ( 4.085 0.000 -2.416) 4.746 4.064 ( 4.085 0.000 2.416) 4.746 4.113 ( 3.485 -0.000 -7.337) 8.123 4.113 ( 3.485 -0.000 7.337) 8.123 4.178 ( -6.936 0.000 -7.888) 10.504 4.178 ( -6.936 0.000 7.888) 10.504 4.193 ( -4.155 -0.000 -10.807) 11.578 4.193 ( -4.155 -0.000 10.807) 11.578 4.508 ( 3.987 -0.000 -7.954) 8.897 4.508 ( 3.987 0.000 7.954) 8.897 4.589 ( -3.687 0.000 -5.227) 6.396 4.589 ( -3.687 0.000 5.227) 6.396 4.789 ( 2.789 0.000 -1.872) 3.359 4.789 ( 2.789 0.000 1.872) 3.359 4.883 ( -2.646 0.000 -6.238) 6.776 4.883 ( -2.646 -0.000 6.238) 6.776 5.048 ( 0.375 0.000 -4.962) 4.976 5.048 ( 0.375 0.000 4.962) 4.976 5.053 ( -2.466 -0.000 -2.040) 3.201 5.053 ( -2.466 -0.000 2.041) 3.201 5.153 ( 4.358 0.000 -3.013) 5.298 5.153 ( 4.358 0.000 3.013) 5.298 5.243 ( -3.133 0.000 -7.057) 7.721 5.243 ( -3.133 0.000 7.057) 7.721 5.463 ( 4.175 0.000 -2.764) 5.007 5.463 ( 4.175 -0.000 2.764) 5.007 5.547 ( -2.992 0.000 -0.440) 3.024 5.547 ( -2.992 0.000 0.440) 3.024 5.727 ( 6.512 -0.000 -2.161) 6.861 5.727 ( 6.512 -0.000 2.161) 6.861 5.758 ( 4.249 0.000 -3.576) 5.554 5.758 ( 4.249 0.000 3.576) 5.554 5.806 ( 5.552 0.000 -4.947) 7.436 5.806 ( 5.552 0.000 4.947) 7.436 5.946 ( -5.830 0.000 -7.257) 9.309 5.946 ( -5.830 0.000 7.257) 9.309 6.035 ( 1.764 0.000 -13.098) 13.216 6.035 ( 1.764 0.000 13.098) 13.216 6.159 ( -3.993 -0.000 -10.623) 11.349 6.159 ( -3.993 0.000 10.623) 11.349 6.319 ( -1.642 0.000 -1.275) 2.079 6.319 ( -1.642 -0.000 1.275) 2.079 6.386 ( -4.554 0.000 -3.687) 5.859 6.386 ( -4.554 0.000 3.687) 5.859 6.498 ( 9.803 0.000 -2.275) 10.063 6.498 ( 9.803 0.000 2.275) 10.063 6.614 ( -2.060 -0.000 -1.435) 2.510 6.614 ( -2.060 0.000 1.435) 2.510 6.829 ( 2.427 0.000 -5.853) 6.336 6.829 ( 2.427 0.000 5.853) 6.336 6.847 ( 3.867 0.000 -2.781) 4.763 6.847 ( 3.867 -0.000 2.781) 4.763 6.983 ( 1.323 0.000 -7.387) 7.505 6.983 ( 1.323 0.000 7.387) 7.505 7.028 ( -2.757 0.000 -3.587) 4.524 7.028 ( -2.757 0.000 3.587) 4.524 7.170 ( -3.067 -0.000 -7.430) 8.038 7.170 ( -3.067 0.000 7.430) 8.038 7.232 ( -9.176 0.000 -5.189) 10.542 7.232 ( -9.176 0.000 5.189) 10.542 7.480 ( 5.781 0.000 -10.552) 12.032 7.480 ( 5.781 -0.000 10.552) 12.032 7.631 ( -12.085 0.000 -9.747) 15.525 7.631 ( -12.085 0.000 9.747) 15.525 7.785 ( 2.791 0.000 -5.330) 6.016 7.785 ( 2.791 0.000 5.330) 6.016 7.825 ( -0.543 0.000 -6.433) 6.456 7.825 ( -0.543 0.000 6.433) 6.456 8.048 ( -0.047 0.000 -8.887) 8.887 8.048 ( -0.047 -0.000 8.887) 8.887 8.074 ( -2.727 -0.000 -6.959) 7.474 8.074 ( -2.727 0.000 6.959) 7.474 8.206 ( 6.376 0.000 -9.187) 11.183 8.206 ( 6.376 -0.000 9.187) 11.183 8.336 ( -6.325 0.000 -11.474) 13.102 8.336 ( -6.325 -0.000 11.474) 13.102 8.719 ( 2.550 0.000 -2.945) 3.896 8.719 ( 2.550 0.000 2.945) 3.896 8.733 ( 1.378 0.000 -6.635) 6.776 8.733 ( 1.378 0.000 6.635) 6.776 8.863 ( 4.898 -0.000 -1.065) 5.012 8.863 ( 4.898 -0.000 1.065) 5.012 8.868 ( 3.901 0.000 -3.128) 5.000 8.868 ( 3.901 0.000 3.128) 5.000 9.031 ( 0.586 0.000 -7.300) 7.323 9.031 ( 0.586 -0.000 7.300) 7.323 9.067 ( -3.892 0.000 -4.149) 5.688 9.067 ( -3.892 -0.000 4.149) 5.688 9.153 ( -1.894 0.000 -3.995) 4.421 9.153 ( -1.894 -0.000 3.995) 4.421 9.183 ( -4.320 0.000 -3.599) 5.622 9.183 ( -4.320 0.000 3.599) 5.622 9.826 ( 1.382 0.000 -2.866) 3.181 9.826 ( 1.382 0.000 2.866) 3.181 9.841 ( -0.088 0.000 -3.774) 3.775 9.841 ( -0.088 0.000 3.774) 3.775 10.109 ( 10.560 0.000 -7.873) 13.172 10.109 ( 10.560 0.000 7.873) 13.172 10.168 ( 4.721 -0.000 -5.981) 7.620 10.168 ( 4.721 0.000 5.981) 7.620 10.386 ( -2.887 0.000 -5.808) 6.486 10.386 ( -2.887 0.000 5.808) 6.486 10.409 ( -5.064 0.000 -2.413) 5.609 10.409 ( -5.064 0.000 2.413) 5.609 10.649 ( -0.126 0.000 -4.661) 4.662 10.649 ( -0.126 -0.000 4.661) 4.662 10.661 ( -1.890 0.000 -7.110) 7.357 10.661 ( -1.890 0.000 7.110) 7.357 10.797 ( 1.117 -0.000 -5.686) 5.795 10.797 ( 1.117 0.000 5.686) 5.795 10.842 ( -3.115 -0.000 -7.598) 8.212 10.842 ( -3.115 0.000 7.598) 8.212 11.420 ( 3.605 0.000 -5.908) 6.921 11.420 ( 3.605 0.000 5.908) 6.921 11.442 ( 0.690 0.000 -0.806) 1.061 11.442 ( 0.690 -0.000 0.806) 1.061 11.808 ( 2.591 0.000 -10.835) 11.141 11.808 ( 2.591 -0.000 10.835) 11.141 11.925 ( -8.155 0.000 -4.031) 9.097 11.925 ( -8.155 0.000 4.031) 9.097 12.358 ( 3.924 0.000 -5.619) 6.854 12.358 ( 3.924 0.000 5.619) 6.854 12.439 ( -4.017 0.000 -2.950) 4.984 12.439 ( -4.017 0.000 2.950) 4.984 13.375 ( 7.103 0.000 -6.270) 9.475 13.375 ( 7.103 0.000 6.270) 9.475 13.510 ( -5.865 0.000 -5.244) 7.868 13.510 ( -5.865 0.000 5.244) 7.868 13.838 ( 13.120 0.000 -5.961) 14.411 13.838 ( 13.120 0.000 5.961) 14.411 14.065 ( -7.383 0.000 -6.515) 9.847 14.065 ( -7.383 0.000 6.515) 9.847 14.432 ( 1.821 0.000 -10.575) 10.731 14.432 ( 1.821 0.000 10.575) 10.731 14.536 ( -6.749 0.000 -6.962) 9.696 14.536 ( -6.749 0.000 6.962) 9.696 18.704 ( 0.838 0.000 -3.057) 3.170 18.704 ( 0.838 0.000 3.057) 3.170 18.718 ( -0.501 0.000 -2.638) 2.685 18.718 ( -0.501 -0.000 2.638) 2.685 19.127 ( 4.404 -0.000 -5.968) 7.417 19.127 ( 4.404 0.000 5.968) 7.417 19.199 ( -1.601 0.000 -7.354) 7.526 19.199 ( -1.601 0.000 7.354) 7.526 19.396 ( 0.379 0.000 -2.221) 2.253 19.396 ( 0.379 -0.000 2.221) 2.253 19.450 ( -3.943 0.000 -2.008) 4.425 19.450 ( -3.943 0.000 2.008) 4.425 20.937 ( 0.228 0.000 -2.831) 2.840 20.937 ( 0.228 -0.000 2.831) 2.840 20.938 ( 0.171 0.000 -2.967) 2.972 20.938 ( 0.171 0.000 2.967) 2.972 =================== 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 3/26880 10.0 1518.464 1006.170 1120.719 0.000 0.000 -0.000 3/26880 20.0 392.152 282.639 397.427 0.000 0.000 -0.000 3/26880 30.0 114.720 104.149 119.020 0.000 0.000 -0.000 3/26880 40.0 53.109 53.186 54.732 0.000 0.000 -0.000 3/26880 50.0 31.399 32.960 31.922 0.000 0.000 -0.000 3/26880 60.0 21.260 22.843 21.329 0.000 0.000 -0.000 3/26880 70.0 15.669 17.042 15.545 0.000 0.000 -0.000 3/26880 80.0 12.237 13.398 12.030 0.000 0.000 -0.000 3/26880 90.0 9.964 10.951 9.724 0.000 0.000 -0.000 3/26880 100.0 8.371 9.221 8.121 0.000 0.000 -0.000 3/26880 110.0 7.203 7.946 6.955 0.000 0.000 -0.000 3/26880 120.0 6.317 6.974 6.075 0.000 0.000 -0.000 3/26880 130.0 5.624 6.212 5.390 0.000 0.000 -0.000 3/26880 140.0 5.069 5.601 4.844 0.000 0.000 -0.000 3/26880 150.0 4.615 5.101 4.399 0.000 0.000 -0.000 3/26880 160.0 4.237 4.685 4.031 0.000 0.000 -0.000 3/26880 170.0 3.919 4.334 3.720 0.000 0.000 -0.000 3/26880 180.0 3.646 4.033 3.455 0.000 0.000 -0.000 3/26880 190.0 3.411 3.773 3.226 0.000 0.000 -0.000 3/26880 200.0 3.205 3.545 3.027 0.000 0.000 -0.000 3/26880 210.0 3.024 3.345 2.852 0.000 0.000 -0.000 3/26880 220.0 2.863 3.167 2.696 0.000 0.000 -0.000 3/26880 230.0 2.719 3.008 2.557 0.000 0.000 -0.000 3/26880 240.0 2.589 2.864 2.432 0.000 0.000 -0.000 3/26880 250.0 2.472 2.735 2.319 0.000 0.000 -0.000 3/26880 260.0 2.366 2.617 2.217 0.000 0.000 -0.000 3/26880 270.0 2.268 2.509 2.124 0.000 0.000 -0.000 3/26880 280.0 2.179 2.410 2.038 0.000 0.000 -0.000 3/26880 290.0 2.097 2.319 1.959 0.000 0.000 -0.000 3/26880 300.0 2.020 2.235 1.886 0.000 0.000 -0.000 3/26880 310.0 1.950 2.157 1.819 0.000 0.000 -0.000 3/26880 320.0 1.884 2.085 1.757 0.000 0.000 -0.000 3/26880 330.0 1.823 2.017 1.698 0.000 0.000 -0.000 3/26880 340.0 1.766 1.954 1.644 0.000 0.000 -0.000 3/26880 350.0 1.712 1.894 1.593 0.000 0.000 -0.000 3/26880 360.0 1.662 1.839 1.545 0.000 0.000 -0.000 3/26880 370.0 1.615 1.786 1.500 0.000 0.000 -0.000 3/26880 380.0 1.570 1.737 1.458 0.000 0.000 -0.000 3/26880 390.0 1.528 1.690 1.418 0.000 0.000 -0.000 3/26880 400.0 1.488 1.646 1.380 0.000 0.000 -0.000 3/26880 410.0 1.450 1.604 1.344 0.000 0.000 -0.000 3/26880 420.0 1.414 1.564 1.310 0.000 0.000 -0.000 3/26880 430.0 1.380 1.527 1.278 0.000 0.000 -0.000 3/26880 440.0 1.348 1.491 1.248 0.000 0.000 -0.000 3/26880 450.0 1.317 1.456 1.219 0.000 0.000 -0.000 3/26880 460.0 1.287 1.424 1.191 0.000 0.000 -0.000 3/26880 470.0 1.259 1.392 1.164 0.000 0.000 -0.000 3/26880 480.0 1.232 1.363 1.139 0.000 0.000 -0.000 3/26880 490.0 1.206 1.334 1.115 0.000 0.000 -0.000 3/26880 500.0 1.181 1.307 1.091 0.000 0.000 -0.000 3/26880 510.0 1.157 1.280 1.069 0.000 0.000 -0.000 3/26880 520.0 1.135 1.255 1.048 0.000 0.000 -0.000 3/26880 530.0 1.113 1.231 1.027 0.000 0.000 -0.000 3/26880 540.0 1.092 1.208 1.008 0.000 0.000 -0.000 3/26880 550.0 1.071 1.185 0.989 0.000 0.000 -0.000 3/26880 560.0 1.052 1.164 0.970 0.000 0.000 -0.000 3/26880 570.0 1.033 1.143 0.953 0.000 0.000 -0.000 3/26880 580.0 1.015 1.123 0.936 0.000 0.000 -0.000 3/26880 590.0 0.997 1.103 0.920 0.000 0.000 -0.000 3/26880 600.0 0.981 1.085 0.904 0.000 0.000 -0.000 3/26880 610.0 0.964 1.066 0.889 0.000 0.000 -0.000 3/26880 620.0 0.948 1.049 0.874 0.000 0.000 -0.000 3/26880 630.0 0.933 1.032 0.860 0.000 0.000 -0.000 3/26880 640.0 0.918 1.016 0.846 0.000 0.000 -0.000 3/26880 650.0 0.904 1.000 0.832 0.000 0.000 -0.000 3/26880 660.0 0.890 0.985 0.820 0.000 0.000 -0.000 3/26880 670.0 0.877 0.970 0.807 0.000 0.000 -0.000 3/26880 680.0 0.864 0.955 0.795 0.000 0.000 -0.000 3/26880 690.0 0.851 0.941 0.783 0.000 0.000 -0.000 3/26880 700.0 0.839 0.928 0.772 0.000 0.000 -0.000 3/26880 710.0 0.827 0.914 0.761 0.000 0.000 -0.000 3/26880 720.0 0.815 0.902 0.750 0.000 0.000 -0.000 3/26880 730.0 0.804 0.889 0.739 0.000 0.000 -0.000 3/26880 740.0 0.793 0.877 0.729 0.000 0.000 -0.000 3/26880 750.0 0.782 0.865 0.719 0.000 0.000 -0.000 3/26880 760.0 0.772 0.854 0.710 0.000 0.000 -0.000 3/26880 770.0 0.762 0.842 0.700 0.000 0.000 -0.000 3/26880 780.0 0.752 0.831 0.691 0.000 0.000 -0.000 3/26880 790.0 0.742 0.821 0.682 0.000 0.000 -0.000 3/26880 800.0 0.733 0.811 0.674 0.000 0.000 -0.000 3/26880 810.0 0.724 0.800 0.665 0.000 0.000 -0.000 3/26880 820.0 0.715 0.791 0.657 0.000 0.000 -0.000 3/26880 830.0 0.706 0.781 0.649 0.000 0.000 -0.000 3/26880 840.0 0.698 0.772 0.641 0.000 0.000 -0.000 3/26880 850.0 0.689 0.762 0.633 0.000 0.000 -0.000 3/26880 860.0 0.681 0.754 0.626 0.000 0.000 -0.000 3/26880 870.0 0.673 0.745 0.619 0.000 0.000 -0.000 3/26880 880.0 0.666 0.736 0.612 0.000 0.000 -0.000 3/26880 890.0 0.658 0.728 0.605 0.000 0.000 -0.000 3/26880 900.0 0.651 0.720 0.598 0.000 0.000 -0.000 3/26880 910.0 0.644 0.712 0.591 0.000 0.000 -0.000 3/26880 920.0 0.637 0.704 0.585 0.000 0.000 -0.000 3/26880 930.0 0.630 0.696 0.578 0.000 0.000 -0.000 3/26880 940.0 0.623 0.689 0.572 0.000 0.000 -0.000 3/26880 950.0 0.616 0.682 0.566 0.000 0.000 -0.000 3/26880 960.0 0.610 0.675 0.560 0.000 0.000 -0.000 3/26880 970.0 0.604 0.668 0.554 0.000 0.000 -0.000 3/26880 980.0 0.597 0.661 0.549 0.000 0.000 -0.000 3/26880 990.0 0.591 0.654 0.543 0.000 0.000 -0.000 3/26880 1000.0 0.585 0.647 0.537 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m584.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:16:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|