----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:42:19]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.357960863316893 -3.108260620000000 0.000000000000000 b 5.357960863316893 3.108260620000000 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): *1 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 *2 Ta 0.13053774822126 0.23560049012059 0.75109798895945 180.948 3 Ta 0.76439950987941 0.86946225177874 0.74890201104055 180.948 *4 Ta 0.40162376683863 0.59837623316137 0.75000000000000 180.948 5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 6 Ta 0.59837623316137 0.40162376683863 0.25000000000000 180.948 7 Ta 0.23560049012059 0.13053774822126 0.25109798895945 180.948 8 Ta 0.86946225177874 0.76439950987941 0.24890201104055 180.948 *9 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 *10 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 11 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 12 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 *13 O 0.42118335615927 0.89104916574584 0.72091563633835 15.999 *14 O 0.23512147439558 0.51304182010207 0.24908878823828 15.999 *15 O 0.98696247839262 0.01303752160738 0.25000000000000 15.999 *16 O 0.24487197338062 0.22435170118721 0.90101396978360 15.999 *17 O 0.75858943333368 0.92542528936515 0.90999579141180 15.999 *18 O 0.45070443444678 0.71154522240893 0.90749612772397 15.999 19 O 0.76487852560442 0.48695817989793 0.75091121176172 15.999 20 O 0.10895083425416 0.57881664384073 0.77908436366165 15.999 21 O 0.51304182010207 0.23512147439558 0.74908878823828 15.999 22 O 0.01303752160738 0.98696247839262 0.75000000000000 15.999 23 O 0.07457471063485 0.24141056666632 0.59000420858820 15.999 24 O 0.77564829881279 0.75512802661938 0.59898603021640 15.999 25 O 0.28845477759107 0.54929556555322 0.59250387227603 15.999 26 O 0.71154522240893 0.45070443444678 0.40749612772397 15.999 27 O 0.22435170118721 0.24487197338062 0.40101396978360 15.999 28 O 0.92542528936515 0.75858943333368 0.40999579141180 15.999 29 O 0.48695817989793 0.76487852560442 0.25091121176172 15.999 30 O 0.89104916574584 0.42118335615927 0.22091563633836 15.999 31 O 0.54929556555322 0.28845477759107 0.09250387227603 15.999 32 O 0.24141056666632 0.07457471063485 0.09000420858820 15.999 33 O 0.75512802661938 0.77564829881279 0.09898603021640 15.999 34 O 0.57881664384073 0.10895083425416 0.27908436366165 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.715921726633786 0.000000000000000 0.000000000000000 b 0.000000000000000 6.216521240000000 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): *1 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 1 *2 Ta 0.68306911917092 0.55253137094966 0.75109798895945 180.948 > 2 3 Ta 0.31693088082908 0.55253137094966 0.74890201104055 180.948 > 3 *4 Ta 0.00000000000000 0.59837623316137 0.75000000000000 180.948 > 4 5 Ta 0.75000000000000 0.75000000000000 0.50000000000000 180.948 > 5 6 Ta 0.00000000000000 0.40162376683863 0.25000000000000 180.948 > 6 7 Ta 0.68306911917092 0.44746862905034 0.25109798895945 180.948 > 7 8 Ta 0.31693088082908 0.44746862905034 0.24890201104055 180.948 > 8 9 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 1 10 Ta 0.18306911917092 0.05253137094966 0.75109798895945 180.948 > 2 11 Ta 0.81693088082908 0.05253137094966 0.74890201104055 180.948 > 3 12 Ta 0.50000000000000 0.09837623316137 0.75000000000000 180.948 > 4 13 Ta 0.25000000000000 0.25000000000000 0.50000000000000 180.948 > 5 14 Ta 0.50000000000000 0.90162376683863 0.25000000000000 180.948 > 6 15 Ta 0.18306911917092 0.94746862905034 0.25109798895945 180.948 > 7 16 Ta 0.81693088082908 0.94746862905034 0.24890201104055 180.948 > 8 *17 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 9 *18 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 10 19 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 11 20 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 12 21 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 9 22 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 10 23 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 11 24 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 12 *25 O 0.15611626095255 0.73493290479328 0.72091563633835 15.999 > 13 *26 O 0.87408164724882 0.63896017285324 0.24908878823828 15.999 > 14 *27 O 0.00000000000000 0.01303752160738 0.25000000000000 15.999 > 15 *28 O 0.73461183728392 0.48973986390330 0.90101396978360 15.999 > 16 *29 O 0.34200736134941 0.58341792801573 0.90999579141180 15.999 > 17 *30 O 0.08112482842786 0.63042039398108 0.90749612772397 15.999 > 18 31 O 0.12591835275118 0.36103982714676 0.75091121176172 15.999 > 19 32 O 0.84388373904745 0.73493290479328 0.77908436366165 15.999 > 20 33 O 0.87408164724882 0.36103982714676 0.74908878823828 15.999 > 21 34 O 0.00000000000000 0.98696247839262 0.75000000000000 15.999 > 22 35 O 0.65799263865059 0.58341792801573 0.59000420858820 15.999 > 23 36 O 0.26538816271608 0.48973986390330 0.59898603021640 15.999 > 24 37 O 0.91887517157214 0.63042039398108 0.59250387227603 15.999 > 25 38 O 0.08112482842786 0.36957960601892 0.40749612772397 15.999 > 26 39 O 0.73461183728392 0.51026013609670 0.40101396978360 15.999 > 27 40 O 0.34200736134941 0.41658207198427 0.40999579141180 15.999 > 28 41 O 0.12591835275118 0.63896017285324 0.25091121176172 15.999 > 29 42 O 0.15611626095255 0.26506709520672 0.22091563633836 15.999 > 30 43 O 0.91887517157214 0.36957960601892 0.09250387227603 15.999 > 31 44 O 0.65799263865059 0.41658207198427 0.09000420858820 15.999 > 32 45 O 0.26538816271608 0.51026013609670 0.09898603021640 15.999 > 33 46 O 0.84388373904745 0.26506709520672 0.27908436366165 15.999 > 34 47 O 0.65611626095255 0.23493290479328 0.72091563633835 15.999 > 13 48 O 0.37408164724882 0.13896017285324 0.24908878823828 15.999 > 14 49 O 0.50000000000000 0.51303752160738 0.25000000000000 15.999 > 15 50 O 0.23461183728392 0.98973986390330 0.90101396978360 15.999 > 16 51 O 0.84200736134941 0.08341792801573 0.90999579141180 15.999 > 17 52 O 0.58112482842786 0.13042039398108 0.90749612772397 15.999 > 18 53 O 0.62591835275118 0.86103982714676 0.75091121176172 15.999 > 19 54 O 0.34388373904745 0.23493290479328 0.77908436366165 15.999 > 20 55 O 0.37408164724882 0.86103982714676 0.74908878823828 15.999 > 21 56 O 0.50000000000000 0.48696247839263 0.75000000000000 15.999 > 22 57 O 0.15799263865059 0.08341792801573 0.59000420858820 15.999 > 23 58 O 0.76538816271608 0.98973986390330 0.59898603021640 15.999 > 24 59 O 0.41887517157214 0.13042039398108 0.59250387227603 15.999 > 25 60 O 0.58112482842786 0.86957960601892 0.40749612772397 15.999 > 26 61 O 0.23461183728392 0.01026013609670 0.40101396978360 15.999 > 27 62 O 0.84200736134941 0.91658207198427 0.40999579141180 15.999 > 28 63 O 0.62591835275118 0.13896017285324 0.25091121176172 15.999 > 29 64 O 0.65611626095255 0.76506709520672 0.22091563633836 15.999 > 30 65 O 0.41887517157214 0.86957960601892 0.09250387227603 15.999 > 31 66 O 0.15799263865059 0.91658207198427 0.09000420858820 15.999 > 32 67 O 0.76538816271608 0.01026013609670 0.09898603021640 15.999 > 33 68 O 0.34388373904745 0.76506709520672 0.27908436366165 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.715921726633786 0.000000000000000 0.000000000000000 b 0.000000000000000 12.433042479999999 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): *1 Ta 0.25000000000000 0.37500000000000 0.00000000000000 180.948 > 1 2 Ta 0.25000000000000 0.87500000000000 0.00000000000000 180.948 > 1 *3 Ta 0.68306911917092 0.27626568547483 0.75109798895945 180.948 > 2 4 Ta 0.68306911917092 0.77626568547483 0.75109798895945 180.948 > 2 5 Ta 0.31693088082908 0.27626568547483 0.74890201104055 180.948 > 3 6 Ta 0.31693088082908 0.77626568547483 0.74890201104055 180.948 > 3 *7 Ta 0.00000000000000 0.29918811658069 0.75000000000000 180.948 > 4 8 Ta 0.00000000000000 0.79918811658069 0.75000000000000 180.948 > 4 9 Ta 0.75000000000000 0.37500000000000 0.50000000000000 180.948 > 5 10 Ta 0.75000000000000 0.87500000000000 0.50000000000000 180.948 > 5 11 Ta 0.00000000000000 0.20081188341931 0.25000000000000 180.948 > 6 12 Ta 0.00000000000000 0.70081188341931 0.25000000000000 180.948 > 6 13 Ta 0.68306911917092 0.22373431452517 0.25109798895945 180.948 > 7 14 Ta 0.68306911917092 0.72373431452517 0.25109798895945 180.948 > 7 15 Ta 0.31693088082908 0.22373431452517 0.24890201104055 180.948 > 8 16 Ta 0.31693088082908 0.72373431452517 0.24890201104055 180.948 > 8 17 Ta 0.75000000000000 0.12500000000000 0.00000000000000 180.948 > 1 18 Ta 0.75000000000000 0.62500000000000 0.00000000000000 180.948 > 1 19 Ta 0.18306911917092 0.02626568547483 0.75109798895945 180.948 > 2 20 Ta 0.18306911917092 0.52626568547483 0.75109798895945 180.948 > 2 21 Ta 0.81693088082908 0.02626568547483 0.74890201104055 180.948 > 3 22 Ta 0.81693088082908 0.52626568547483 0.74890201104055 180.948 > 3 23 Ta 0.50000000000000 0.04918811658069 0.75000000000000 180.948 > 4 24 Ta 0.50000000000000 0.54918811658069 0.75000000000000 180.948 > 4 25 Ta 0.25000000000000 0.12500000000000 0.50000000000000 180.948 > 5 26 Ta 0.25000000000000 0.62500000000000 0.50000000000000 180.948 > 5 27 Ta 0.50000000000000 0.45081188341931 0.25000000000000 180.948 > 6 28 Ta 0.50000000000000 0.95081188341931 0.25000000000000 180.948 > 6 29 Ta 0.18306911917092 0.47373431452517 0.25109798895945 180.948 > 7 30 Ta 0.18306911917092 0.97373431452517 0.25109798895945 180.948 > 7 31 Ta 0.81693088082908 0.47373431452517 0.24890201104055 180.948 > 8 32 Ta 0.81693088082908 0.97373431452517 0.24890201104055 180.948 > 8 *33 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 9 34 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 9 *35 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 10 36 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 10 37 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 11 38 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 11 39 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 12 40 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 12 41 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 9 42 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 9 43 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 10 44 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 10 45 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 11 46 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 11 47 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 12 48 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 12 *49 O 0.15611626095255 0.36746645239664 0.72091563633835 15.999 > 13 50 O 0.15611626095255 0.86746645239664 0.72091563633835 15.999 > 13 *51 O 0.87408164724882 0.31948008642662 0.24908878823828 15.999 > 14 52 O 0.87408164724882 0.81948008642662 0.24908878823828 15.999 > 14 *53 O 0.00000000000000 0.00651876080369 0.25000000000000 15.999 > 15 54 O 0.00000000000000 0.50651876080369 0.25000000000000 15.999 > 15 *55 O 0.73461183728392 0.24486993195165 0.90101396978360 15.999 > 16 56 O 0.73461183728392 0.74486993195165 0.90101396978360 15.999 > 16 *57 O 0.34200736134941 0.29170896400787 0.90999579141180 15.999 > 17 58 O 0.34200736134941 0.79170896400787 0.90999579141180 15.999 > 17 *59 O 0.08112482842786 0.31521019699054 0.90749612772397 15.999 > 18 60 O 0.08112482842786 0.81521019699054 0.90749612772397 15.999 > 18 61 O 0.12591835275118 0.18051991357338 0.75091121176172 15.999 > 19 62 O 0.12591835275118 0.68051991357338 0.75091121176172 15.999 > 19 63 O 0.84388373904745 0.36746645239664 0.77908436366165 15.999 > 20 64 O 0.84388373904745 0.86746645239664 0.77908436366165 15.999 > 20 65 O 0.87408164724882 0.18051991357338 0.74908878823828 15.999 > 21 66 O 0.87408164724882 0.68051991357338 0.74908878823828 15.999 > 21 67 O 0.00000000000000 0.49348123919631 0.75000000000000 15.999 > 22 68 O 0.00000000000000 0.99348123919631 0.75000000000000 15.999 > 22 69 O 0.65799263865059 0.29170896400787 0.59000420858820 15.999 > 23 70 O 0.65799263865059 0.79170896400787 0.59000420858820 15.999 > 23 71 O 0.26538816271608 0.24486993195165 0.59898603021640 15.999 > 24 72 O 0.26538816271608 0.74486993195165 0.59898603021640 15.999 > 24 73 O 0.91887517157214 0.31521019699054 0.59250387227603 15.999 > 25 74 O 0.91887517157214 0.81521019699054 0.59250387227603 15.999 > 25 75 O 0.08112482842786 0.18478980300946 0.40749612772397 15.999 > 26 76 O 0.08112482842786 0.68478980300946 0.40749612772397 15.999 > 26 77 O 0.73461183728392 0.25513006804835 0.40101396978360 15.999 > 27 78 O 0.73461183728392 0.75513006804835 0.40101396978360 15.999 > 27 79 O 0.34200736134941 0.20829103599213 0.40999579141180 15.999 > 28 80 O 0.34200736134941 0.70829103599213 0.40999579141180 15.999 > 28 81 O 0.12591835275118 0.31948008642662 0.25091121176172 15.999 > 29 82 O 0.12591835275118 0.81948008642662 0.25091121176172 15.999 > 29 83 O 0.15611626095255 0.13253354760336 0.22091563633836 15.999 > 30 84 O 0.15611626095255 0.63253354760336 0.22091563633836 15.999 > 30 85 O 0.91887517157214 0.18478980300946 0.09250387227603 15.999 > 31 86 O 0.91887517157214 0.68478980300946 0.09250387227603 15.999 > 31 87 O 0.65799263865059 0.20829103599213 0.09000420858820 15.999 > 32 88 O 0.65799263865059 0.70829103599213 0.09000420858820 15.999 > 32 89 O 0.26538816271608 0.25513006804835 0.09898603021640 15.999 > 33 90 O 0.26538816271608 0.75513006804835 0.09898603021640 15.999 > 33 91 O 0.84388373904745 0.13253354760336 0.27908436366165 15.999 > 34 92 O 0.84388373904745 0.63253354760336 0.27908436366165 15.999 > 34 93 O 0.65611626095255 0.11746645239664 0.72091563633835 15.999 > 13 94 O 0.65611626095255 0.61746645239664 0.72091563633835 15.999 > 13 95 O 0.37408164724882 0.06948008642662 0.24908878823828 15.999 > 14 96 O 0.37408164724882 0.56948008642662 0.24908878823828 15.999 > 14 97 O 0.50000000000000 0.25651876080369 0.25000000000000 15.999 > 15 98 O 0.50000000000000 0.75651876080369 0.25000000000000 15.999 > 15 99 O 0.23461183728392 0.49486993195165 0.90101396978360 15.999 > 16 100 O 0.23461183728392 0.99486993195165 0.90101396978360 15.999 > 16 101 O 0.84200736134941 0.04170896400787 0.90999579141180 15.999 > 17 102 O 0.84200736134941 0.54170896400787 0.90999579141180 15.999 > 17 103 O 0.58112482842786 0.06521019699054 0.90749612772397 15.999 > 18 104 O 0.58112482842786 0.56521019699054 0.90749612772397 15.999 > 18 105 O 0.62591835275118 0.43051991357338 0.75091121176172 15.999 > 19 106 O 0.62591835275118 0.93051991357338 0.75091121176172 15.999 > 19 107 O 0.34388373904745 0.11746645239664 0.77908436366165 15.999 > 20 108 O 0.34388373904745 0.61746645239664 0.77908436366165 15.999 > 20 109 O 0.37408164724882 0.43051991357338 0.74908878823828 15.999 > 21 110 O 0.37408164724882 0.93051991357338 0.74908878823828 15.999 > 21 111 O 0.50000000000000 0.24348123919631 0.75000000000000 15.999 > 22 112 O 0.50000000000000 0.74348123919631 0.75000000000000 15.999 > 22 113 O 0.15799263865059 0.04170896400787 0.59000420858820 15.999 > 23 114 O 0.15799263865059 0.54170896400787 0.59000420858820 15.999 > 23 115 O 0.76538816271608 0.49486993195165 0.59898603021640 15.999 > 24 116 O 0.76538816271608 0.99486993195165 0.59898603021640 15.999 > 24 117 O 0.41887517157214 0.06521019699054 0.59250387227603 15.999 > 25 118 O 0.41887517157214 0.56521019699054 0.59250387227603 15.999 > 25 119 O 0.58112482842786 0.43478980300946 0.40749612772397 15.999 > 26 120 O 0.58112482842786 0.93478980300946 0.40749612772397 15.999 > 26 121 O 0.23461183728392 0.00513006804835 0.40101396978360 15.999 > 27 122 O 0.23461183728392 0.50513006804835 0.40101396978360 15.999 > 27 123 O 0.84200736134941 0.45829103599213 0.40999579141180 15.999 > 28 124 O 0.84200736134941 0.95829103599213 0.40999579141180 15.999 > 28 125 O 0.62591835275118 0.06948008642662 0.25091121176172 15.999 > 29 126 O 0.62591835275118 0.56948008642662 0.25091121176172 15.999 > 29 127 O 0.65611626095255 0.38253354760336 0.22091563633836 15.999 > 30 128 O 0.65611626095255 0.88253354760336 0.22091563633836 15.999 > 30 129 O 0.41887517157214 0.43478980300946 0.09250387227603 15.999 > 31 130 O 0.41887517157214 0.93478980300946 0.09250387227603 15.999 > 31 131 O 0.15799263865059 0.45829103599213 0.09000420858820 15.999 > 32 132 O 0.15799263865059 0.95829103599213 0.09000420858820 15.999 > 32 133 O 0.76538816271608 0.00513006804835 0.09898603021640 15.999 > 33 134 O 0.76538816271608 0.50513006804835 0.09898603021640 15.999 > 33 135 O 0.34388373904745 0.38253354760336 0.27908436366165 15.999 > 34 136 O 0.34388373904745 0.88253354760336 0.27908436366165 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4564835 0.0000000 0.0383342 0.0000000 6.1812351 0.0000000 0.0383380 0.0000000 7.2546897 -------------------------- Born effective charges -------------------------- 1 Ta 8.1187218 -0.4408617 -0.0508035 0.1696845 7.0057809 -0.1181531 -0.3360736 -0.9795282 9.6965746 2 Ta 7.0047136 0.6343146 -0.2157512 0.6738936 7.6460463 -1.8844039 -0.0046701 -0.8402618 7.9401879 3 Ta 7.0047136 -0.6343146 -0.2157512 -0.6738936 7.6460463 1.8844039 -0.0046701 0.8402618 7.9401879 4 Ta 7.9699289 0.0000000 0.7026425 0.0000000 6.4703726 0.0000000 0.3278248 -0.0000000 8.0565446 5 Ta 8.1187218 0.4408617 -0.0508035 -0.1696845 7.0057809 0.1181531 -0.3360736 0.9795282 9.6965746 6 Ta 7.9699289 0.0000000 0.7026425 0.0000000 6.4703726 0.0000000 0.3278248 -0.0000000 8.0565446 7 Ta 7.0047136 -0.6343146 -0.2157512 -0.6738936 7.6460463 1.8844039 -0.0046701 0.8402618 7.9401879 8 Ta 7.0047136 0.6343146 -0.2157512 0.6738936 7.6460463 -1.8844039 -0.0046701 -0.8402618 7.9401879 9 Cu 0.5541974 -0.1884156 0.1495640 -0.0737996 0.6089788 0.1041323 0.0703587 0.1494294 0.7055146 10 Cu 0.7353914 0.0750443 0.0805637 0.0818406 0.5842411 -0.0252073 0.1931890 -0.0208428 0.7271444 11 Cu 0.5541974 0.1884156 0.1495640 0.0737996 0.6089788 -0.1041323 0.0703587 -0.1494294 0.7055146 12 Cu 0.7353914 -0.0750443 0.0805637 -0.0818406 0.5842411 0.0252073 0.1931890 0.0208428 0.7271444 13 O -3.6285659 0.2262202 -0.0096277 -0.1726854 -3.4320149 0.0414473 0.0437800 -0.0808176 -1.3513974 14 O -3.1090987 1.2855054 -0.0152776 1.4044273 -4.5893826 0.0474501 0.0449504 -0.0373182 -1.2513739 15 O -5.3861139 0.0000000 0.0345326 0.0000000 -2.2250732 0.0000000 -0.2354917 -0.0000000 -1.4501973 16 O -1.6269481 -0.1184988 -0.1130606 -0.3085272 -2.5847072 2.0929072 0.0488901 2.4385235 -5.5059988 17 O -2.2534954 0.8365400 0.8828231 0.8076270 -1.7437426 -1.0756157 0.9688741 -0.8757129 -4.2621451 18 O -2.3826682 -0.4336678 -0.9873556 -0.5487186 -1.5183492 -0.8545671 -1.1117282 -0.7673567 -4.4370630 19 O -3.1090987 1.2855054 -0.0152776 1.4044273 -4.5893826 0.0474501 0.0449504 -0.0373182 -1.2513739 20 O -3.6285659 -0.2262202 -0.0096277 0.1726854 -3.4320149 -0.0414473 0.0437800 0.0808176 -1.3513974 21 O -3.1090987 -1.2855054 -0.0152776 -1.4044273 -4.5893826 -0.0474501 0.0449504 0.0373182 -1.2513739 22 O -5.3861139 0.0000000 0.0345326 0.0000000 -2.2250732 0.0000000 -0.2354917 -0.0000000 -1.4501973 23 O -2.2534954 -0.8365400 0.8828231 -0.8076270 -1.7437426 1.0756157 0.9688741 0.8757129 -4.2621451 24 O -1.6269481 0.1184988 -0.1130606 0.3085272 -2.5847072 -2.0929072 0.0488901 -2.4385235 -5.5059988 25 O -2.3826682 0.4336678 -0.9873556 0.5487186 -1.5183492 0.8545671 -1.1117282 0.7673567 -4.4370630 26 O -2.3826682 0.4336678 -0.9873556 0.5487186 -1.5183492 0.8545671 -1.1117282 0.7673567 -4.4370630 27 O -1.6269481 0.1184988 -0.1130606 0.3085272 -2.5847072 -2.0929072 0.0488901 -2.4385235 -5.5059988 28 O -2.2534954 -0.8365400 0.8828231 -0.8076270 -1.7437426 1.0756157 0.9688741 0.8757129 -4.2621451 29 O -3.1090987 -1.2855054 -0.0152776 -1.4044273 -4.5893826 -0.0474501 0.0449504 0.0373182 -1.2513739 30 O -3.6285659 -0.2262202 -0.0096277 0.1726854 -3.4320149 -0.0414473 0.0437800 0.0808176 -1.3513974 31 O -2.3826682 -0.4336678 -0.9873556 -0.5487186 -1.5183492 -0.8545671 -1.1117282 -0.7673567 -4.4370630 32 O -2.2534954 0.8365400 0.8828231 0.8076270 -1.7437426 -1.0756157 0.9688741 -0.8757129 -4.2621451 33 O -1.6269481 -0.1184988 -0.1130606 -0.3085272 -2.5847072 2.0929072 0.0488901 2.4385235 -5.5059988 34 O -3.6285659 0.2262202 -0.0096277 -0.1726854 -3.4320149 0.0414473 0.0437800 -0.0808176 -1.3513974 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5408 Number of blocks in projector: 5408 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: 1182 Use submatrix version of eigh solver. (1) Block: 500 / 1182 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1182 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1182 / 1182 (1) 175 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1150 Use submatrix version of eigh solver. (1) Block: 500 / 1150 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1150 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1150 / 1150 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1150 Use submatrix version of eigh solver. (1) Block: 500 / 1150 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1150 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1150 / 1150 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 642 / 642 (1) 131 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 642 / 642 (1) 131 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 642 / 642 (1) 133 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5408, 5318), data: False |-- (642, 631), data: False |-- (642, 9), data: (642, 20) @ (20, 9) |-- (142, 133), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (642, 631), data: False |-- (642, 11), data: (642, 22) @ (22, 11) |-- (142, 131), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (642, 631), data: False |-- (642, 11), data: (642, 22) @ (22, 11) |-- (142, 131), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1150, 1132), data: False |-- (1150, 26), data: (1150, 44) @ (44, 26) |-- (150, 140), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (1150, 1132), data: False |-- (1150, 26), data: (1150, 44) @ (44, 26) |-- (150, 140), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (1182, 1161), data: False |-- (1182, 24), data: (1182, 45) @ (45, 24) |-- (182, 175), data: True |-- (500, 483), data: False |-- (500, 11), data: (500, 28) @ (28, 11) |-- (250, 239), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.628 Solver_block: 200 / 1040 - Time: 1.539 Solver_block: 300 / 1040 - Time: 1.531 Solver_block: 400 / 1040 - Time: 1.521 Solver_block: 500 / 1040 - Time: 1.525 Solver_block: 600 / 1040 - Time: 1.536 Solver_block: 700 / 1040 - Time: 1.528 Solver_block: 800 / 1040 - Time: 1.519 Solver_block: 900 / 1040 - Time: 1.532 Solver_block: 1000 / 1040 - Time: 1.529 Solver_block: 1040 / 1040 - Time: 0.780 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.642 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5408 Number of blocks in projector: 5408 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: 1182 Use submatrix version of eigh solver. (1) Block: 500 / 1182 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1182 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1182 / 1182 (1) 175 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1150 Use submatrix version of eigh solver. (1) Block: 500 / 1150 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1150 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1150 / 1150 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1150 Use submatrix version of eigh solver. (1) Block: 500 / 1150 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1150 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1150 / 1150 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 642 / 642 (1) 131 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 642 / 642 (1) 131 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 642 Use submatrix version of eigh solver. (1) Block: 500 / 642 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 642 / 642 (1) 133 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5408, 5318), data: False |-- (642, 631), data: False |-- (642, 9), data: (642, 20) @ (20, 9) |-- (142, 133), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (642, 631), data: False |-- (642, 11), data: (642, 22) @ (22, 11) |-- (142, 131), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (642, 631), data: False |-- (642, 11), data: (642, 22) @ (22, 11) |-- (142, 131), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1150, 1132), data: False |-- (1150, 26), data: (1150, 44) @ (44, 26) |-- (150, 140), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (1150, 1132), data: False |-- (1150, 26), data: (1150, 44) @ (44, 26) |-- (150, 140), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 15), data: (500, 33) @ (33, 15) |-- (250, 235), data: True |-- (250, 232), data: True |-- (1182, 1161), data: False |-- (1182, 24), data: (1182, 45) @ (45, 24) |-- (182, 175), data: True |-- (500, 483), data: False |-- (500, 11), data: (500, 28) @ (28, 11) |-- (250, 239), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:43:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:43:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.357960863316893 -3.108260620000000 0.000000000000000 b 5.357960863316893 3.108260620000000 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): 1 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 2 Ta 0.13053774822126 0.23560049012059 0.75109798895945 180.948 3 Ta 0.76439950987941 0.86946225177874 0.74890201104055 180.948 4 Ta 0.40162376683863 0.59837623316137 0.75000000000000 180.948 5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 6 Ta 0.59837623316137 0.40162376683863 0.25000000000000 180.948 7 Ta 0.23560049012059 0.13053774822126 0.25109798895945 180.948 8 Ta 0.86946225177874 0.76439950987941 0.24890201104055 180.948 9 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 10 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 11 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 12 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 13 O 0.42118335615927 0.89104916574584 0.72091563633835 15.999 14 O 0.23512147439558 0.51304182010207 0.24908878823828 15.999 15 O 0.98696247839262 0.01303752160738 0.25000000000000 15.999 16 O 0.24487197338062 0.22435170118721 0.90101396978360 15.999 17 O 0.75858943333368 0.92542528936515 0.90999579141180 15.999 18 O 0.45070443444678 0.71154522240893 0.90749612772397 15.999 19 O 0.76487852560442 0.48695817989793 0.75091121176172 15.999 20 O 0.10895083425416 0.57881664384073 0.77908436366165 15.999 21 O 0.51304182010207 0.23512147439558 0.74908878823828 15.999 22 O 0.01303752160738 0.98696247839262 0.75000000000000 15.999 23 O 0.07457471063485 0.24141056666632 0.59000420858820 15.999 24 O 0.77564829881279 0.75512802661938 0.59898603021640 15.999 25 O 0.28845477759107 0.54929556555322 0.59250387227603 15.999 26 O 0.71154522240893 0.45070443444678 0.40749612772397 15.999 27 O 0.22435170118721 0.24487197338062 0.40101396978360 15.999 28 O 0.92542528936515 0.75858943333368 0.40999579141180 15.999 29 O 0.48695817989793 0.76487852560442 0.25091121176172 15.999 30 O 0.89104916574584 0.42118335615927 0.22091563633836 15.999 31 O 0.54929556555322 0.28845477759107 0.09250387227603 15.999 32 O 0.24141056666632 0.07457471063485 0.09000420858820 15.999 33 O 0.75512802661938 0.77564829881279 0.09898603021640 15.999 34 O 0.57881664384073 0.10895083425416 0.27908436366165 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.715921726633786 0.000000000000000 0.000000000000000 b 0.000000000000000 12.433042479999999 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): 1 Ta 0.25000000000000 0.37500000000000 0.00000000000000 180.948 > 1 2 Ta 0.25000000000000 0.87500000000000 0.00000000000000 180.948 > 1 3 Ta 0.68306911917092 0.27626568547483 0.75109798895945 180.948 > 3 4 Ta 0.68306911917092 0.77626568547483 0.75109798895945 180.948 > 3 5 Ta 0.31693088082908 0.27626568547483 0.74890201104055 180.948 > 5 6 Ta 0.31693088082908 0.77626568547483 0.74890201104055 180.948 > 5 7 Ta 0.00000000000000 0.29918811658069 0.75000000000000 180.948 > 7 8 Ta 0.00000000000000 0.79918811658069 0.75000000000000 180.948 > 7 9 Ta 0.75000000000000 0.37500000000000 0.50000000000000 180.948 > 9 10 Ta 0.75000000000000 0.87500000000000 0.50000000000000 180.948 > 9 11 Ta 0.00000000000000 0.20081188341931 0.25000000000000 180.948 > 11 12 Ta 0.00000000000000 0.70081188341931 0.25000000000000 180.948 > 11 13 Ta 0.68306911917092 0.22373431452517 0.25109798895945 180.948 > 13 14 Ta 0.68306911917092 0.72373431452517 0.25109798895945 180.948 > 13 15 Ta 0.31693088082908 0.22373431452517 0.24890201104055 180.948 > 15 16 Ta 0.31693088082908 0.72373431452517 0.24890201104055 180.948 > 15 17 Ta 0.75000000000000 0.12500000000000 0.00000000000000 180.948 > 1 18 Ta 0.75000000000000 0.62500000000000 0.00000000000000 180.948 > 1 19 Ta 0.18306911917092 0.02626568547483 0.75109798895945 180.948 > 3 20 Ta 0.18306911917092 0.52626568547483 0.75109798895945 180.948 > 3 21 Ta 0.81693088082908 0.02626568547483 0.74890201104055 180.948 > 5 22 Ta 0.81693088082908 0.52626568547483 0.74890201104055 180.948 > 5 23 Ta 0.50000000000000 0.04918811658069 0.75000000000000 180.948 > 7 24 Ta 0.50000000000000 0.54918811658069 0.75000000000000 180.948 > 7 25 Ta 0.25000000000000 0.12500000000000 0.50000000000000 180.948 > 9 26 Ta 0.25000000000000 0.62500000000000 0.50000000000000 180.948 > 9 27 Ta 0.50000000000000 0.45081188341931 0.25000000000000 180.948 > 11 28 Ta 0.50000000000000 0.95081188341931 0.25000000000000 180.948 > 11 29 Ta 0.18306911917092 0.47373431452517 0.25109798895945 180.948 > 13 30 Ta 0.18306911917092 0.97373431452517 0.25109798895945 180.948 > 13 31 Ta 0.81693088082908 0.47373431452517 0.24890201104055 180.948 > 15 32 Ta 0.81693088082908 0.97373431452517 0.24890201104055 180.948 > 15 33 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 33 34 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 33 35 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 35 36 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 35 37 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 37 38 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 37 39 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 39 40 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 39 41 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 33 42 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 33 43 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 35 44 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 35 45 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 37 46 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 37 47 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 39 48 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 39 49 O 0.15611626095255 0.36746645239664 0.72091563633835 15.999 > 49 50 O 0.15611626095255 0.86746645239664 0.72091563633835 15.999 > 49 51 O 0.87408164724882 0.31948008642662 0.24908878823828 15.999 > 51 52 O 0.87408164724882 0.81948008642662 0.24908878823828 15.999 > 51 53 O 0.00000000000000 0.00651876080369 0.25000000000000 15.999 > 53 54 O 0.00000000000000 0.50651876080369 0.25000000000000 15.999 > 53 55 O 0.73461183728392 0.24486993195165 0.90101396978360 15.999 > 55 56 O 0.73461183728392 0.74486993195165 0.90101396978360 15.999 > 55 57 O 0.34200736134941 0.29170896400787 0.90999579141180 15.999 > 57 58 O 0.34200736134941 0.79170896400787 0.90999579141180 15.999 > 57 59 O 0.08112482842786 0.31521019699054 0.90749612772397 15.999 > 59 60 O 0.08112482842786 0.81521019699054 0.90749612772397 15.999 > 59 61 O 0.12591835275118 0.18051991357338 0.75091121176172 15.999 > 61 62 O 0.12591835275118 0.68051991357338 0.75091121176172 15.999 > 61 63 O 0.84388373904745 0.36746645239664 0.77908436366165 15.999 > 63 64 O 0.84388373904745 0.86746645239664 0.77908436366165 15.999 > 63 65 O 0.87408164724882 0.18051991357338 0.74908878823828 15.999 > 65 66 O 0.87408164724882 0.68051991357338 0.74908878823828 15.999 > 65 67 O 0.00000000000000 0.49348123919631 0.75000000000000 15.999 > 67 68 O 0.00000000000000 0.99348123919631 0.75000000000000 15.999 > 67 69 O 0.65799263865059 0.29170896400787 0.59000420858820 15.999 > 69 70 O 0.65799263865059 0.79170896400787 0.59000420858820 15.999 > 69 71 O 0.26538816271608 0.24486993195165 0.59898603021640 15.999 > 71 72 O 0.26538816271608 0.74486993195165 0.59898603021640 15.999 > 71 73 O 0.91887517157214 0.31521019699054 0.59250387227603 15.999 > 73 74 O 0.91887517157214 0.81521019699054 0.59250387227603 15.999 > 73 75 O 0.08112482842786 0.18478980300946 0.40749612772397 15.999 > 75 76 O 0.08112482842786 0.68478980300946 0.40749612772397 15.999 > 75 77 O 0.73461183728392 0.25513006804835 0.40101396978360 15.999 > 77 78 O 0.73461183728392 0.75513006804835 0.40101396978360 15.999 > 77 79 O 0.34200736134941 0.20829103599213 0.40999579141180 15.999 > 79 80 O 0.34200736134941 0.70829103599213 0.40999579141180 15.999 > 79 81 O 0.12591835275118 0.31948008642662 0.25091121176172 15.999 > 81 82 O 0.12591835275118 0.81948008642662 0.25091121176172 15.999 > 81 83 O 0.15611626095255 0.13253354760336 0.22091563633836 15.999 > 83 84 O 0.15611626095255 0.63253354760336 0.22091563633836 15.999 > 83 85 O 0.91887517157214 0.18478980300946 0.09250387227603 15.999 > 85 86 O 0.91887517157214 0.68478980300946 0.09250387227603 15.999 > 85 87 O 0.65799263865059 0.20829103599213 0.09000420858820 15.999 > 87 88 O 0.65799263865059 0.70829103599213 0.09000420858820 15.999 > 87 89 O 0.26538816271608 0.25513006804835 0.09898603021640 15.999 > 89 90 O 0.26538816271608 0.75513006804835 0.09898603021640 15.999 > 89 91 O 0.84388373904745 0.13253354760336 0.27908436366165 15.999 > 91 92 O 0.84388373904745 0.63253354760336 0.27908436366165 15.999 > 91 93 O 0.65611626095255 0.11746645239664 0.72091563633835 15.999 > 49 94 O 0.65611626095255 0.61746645239664 0.72091563633835 15.999 > 49 95 O 0.37408164724882 0.06948008642662 0.24908878823828 15.999 > 51 96 O 0.37408164724882 0.56948008642662 0.24908878823828 15.999 > 51 97 O 0.50000000000000 0.25651876080369 0.25000000000000 15.999 > 53 98 O 0.50000000000000 0.75651876080369 0.25000000000000 15.999 > 53 99 O 0.23461183728392 0.49486993195165 0.90101396978360 15.999 > 55 100 O 0.23461183728392 0.99486993195165 0.90101396978360 15.999 > 55 101 O 0.84200736134941 0.04170896400787 0.90999579141180 15.999 > 57 102 O 0.84200736134941 0.54170896400787 0.90999579141180 15.999 > 57 103 O 0.58112482842786 0.06521019699054 0.90749612772397 15.999 > 59 104 O 0.58112482842786 0.56521019699054 0.90749612772397 15.999 > 59 105 O 0.62591835275118 0.43051991357338 0.75091121176172 15.999 > 61 106 O 0.62591835275118 0.93051991357338 0.75091121176172 15.999 > 61 107 O 0.34388373904745 0.11746645239664 0.77908436366165 15.999 > 63 108 O 0.34388373904745 0.61746645239664 0.77908436366165 15.999 > 63 109 O 0.37408164724882 0.43051991357338 0.74908878823828 15.999 > 65 110 O 0.37408164724882 0.93051991357338 0.74908878823828 15.999 > 65 111 O 0.50000000000000 0.24348123919631 0.75000000000000 15.999 > 67 112 O 0.50000000000000 0.74348123919631 0.75000000000000 15.999 > 67 113 O 0.15799263865059 0.04170896400787 0.59000420858820 15.999 > 69 114 O 0.15799263865059 0.54170896400787 0.59000420858820 15.999 > 69 115 O 0.76538816271608 0.49486993195165 0.59898603021640 15.999 > 71 116 O 0.76538816271608 0.99486993195165 0.59898603021640 15.999 > 71 117 O 0.41887517157214 0.06521019699054 0.59250387227603 15.999 > 73 118 O 0.41887517157214 0.56521019699054 0.59250387227603 15.999 > 73 119 O 0.58112482842786 0.43478980300946 0.40749612772397 15.999 > 75 120 O 0.58112482842786 0.93478980300946 0.40749612772397 15.999 > 75 121 O 0.23461183728392 0.00513006804835 0.40101396978360 15.999 > 77 122 O 0.23461183728392 0.50513006804835 0.40101396978360 15.999 > 77 123 O 0.84200736134941 0.45829103599213 0.40999579141180 15.999 > 79 124 O 0.84200736134941 0.95829103599213 0.40999579141180 15.999 > 79 125 O 0.62591835275118 0.06948008642662 0.25091121176172 15.999 > 81 126 O 0.62591835275118 0.56948008642662 0.25091121176172 15.999 > 81 127 O 0.65611626095255 0.38253354760336 0.22091563633836 15.999 > 83 128 O 0.65611626095255 0.88253354760336 0.22091563633836 15.999 > 83 129 O 0.41887517157214 0.43478980300946 0.09250387227603 15.999 > 85 130 O 0.41887517157214 0.93478980300946 0.09250387227603 15.999 > 85 131 O 0.15799263865059 0.45829103599213 0.09000420858820 15.999 > 87 132 O 0.15799263865059 0.95829103599213 0.09000420858820 15.999 > 87 133 O 0.76538816271608 0.00513006804835 0.09898603021640 15.999 > 89 134 O 0.76538816271608 0.50513006804835 0.09898603021640 15.999 > 89 135 O 0.34388373904745 0.38253354760336 0.27908436366165 15.999 > 91 136 O 0.34388373904745 0.88253354760336 0.27908436366165 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4564835 0.0000000 0.0383342 0.0000000 6.1812351 0.0000000 0.0383380 0.0000000 7.2546897 -------------------------- Born effective charges -------------------------- 1 Ta 8.1187218 -0.4408617 -0.0508035 0.1696845 7.0057809 -0.1181531 -0.3360736 -0.9795282 9.6965746 2 Ta 7.0047136 0.6343146 -0.2157512 0.6738936 7.6460463 -1.8844039 -0.0046701 -0.8402618 7.9401879 3 Ta 7.0047136 -0.6343146 -0.2157512 -0.6738936 7.6460463 1.8844039 -0.0046701 0.8402618 7.9401879 4 Ta 7.9699289 0.0000000 0.7026425 0.0000000 6.4703726 0.0000000 0.3278248 -0.0000000 8.0565446 5 Ta 8.1187218 0.4408617 -0.0508035 -0.1696845 7.0057809 0.1181531 -0.3360736 0.9795282 9.6965746 6 Ta 7.9699289 0.0000000 0.7026425 0.0000000 6.4703726 0.0000000 0.3278248 -0.0000000 8.0565446 7 Ta 7.0047136 -0.6343146 -0.2157512 -0.6738936 7.6460463 1.8844039 -0.0046701 0.8402618 7.9401879 8 Ta 7.0047136 0.6343146 -0.2157512 0.6738936 7.6460463 -1.8844039 -0.0046701 -0.8402618 7.9401879 9 Cu 0.5541974 -0.1884156 0.1495640 -0.0737996 0.6089788 0.1041323 0.0703587 0.1494294 0.7055146 10 Cu 0.7353914 0.0750443 0.0805637 0.0818406 0.5842411 -0.0252073 0.1931890 -0.0208428 0.7271444 11 Cu 0.5541974 0.1884156 0.1495640 0.0737996 0.6089788 -0.1041323 0.0703587 -0.1494294 0.7055146 12 Cu 0.7353914 -0.0750443 0.0805637 -0.0818406 0.5842411 0.0252073 0.1931890 0.0208428 0.7271444 13 O -3.6285659 0.2262202 -0.0096277 -0.1726854 -3.4320149 0.0414473 0.0437800 -0.0808176 -1.3513974 14 O -3.1090987 1.2855054 -0.0152776 1.4044273 -4.5893826 0.0474501 0.0449504 -0.0373182 -1.2513739 15 O -5.3861139 0.0000000 0.0345326 0.0000000 -2.2250732 0.0000000 -0.2354917 -0.0000000 -1.4501973 16 O -1.6269481 -0.1184988 -0.1130606 -0.3085272 -2.5847072 2.0929072 0.0488901 2.4385235 -5.5059988 17 O -2.2534954 0.8365400 0.8828231 0.8076270 -1.7437426 -1.0756157 0.9688741 -0.8757129 -4.2621451 18 O -2.3826682 -0.4336678 -0.9873556 -0.5487186 -1.5183492 -0.8545671 -1.1117282 -0.7673567 -4.4370630 19 O -3.1090987 1.2855054 -0.0152776 1.4044273 -4.5893826 0.0474501 0.0449504 -0.0373182 -1.2513739 20 O -3.6285659 -0.2262202 -0.0096277 0.1726854 -3.4320149 -0.0414473 0.0437800 0.0808176 -1.3513974 21 O -3.1090987 -1.2855054 -0.0152776 -1.4044273 -4.5893826 -0.0474501 0.0449504 0.0373182 -1.2513739 22 O -5.3861139 0.0000000 0.0345326 0.0000000 -2.2250732 0.0000000 -0.2354917 -0.0000000 -1.4501973 23 O -2.2534954 -0.8365400 0.8828231 -0.8076270 -1.7437426 1.0756157 0.9688741 0.8757129 -4.2621451 24 O -1.6269481 0.1184988 -0.1130606 0.3085272 -2.5847072 -2.0929072 0.0488901 -2.4385235 -5.5059988 25 O -2.3826682 0.4336678 -0.9873556 0.5487186 -1.5183492 0.8545671 -1.1117282 0.7673567 -4.4370630 26 O -2.3826682 0.4336678 -0.9873556 0.5487186 -1.5183492 0.8545671 -1.1117282 0.7673567 -4.4370630 27 O -1.6269481 0.1184988 -0.1130606 0.3085272 -2.5847072 -2.0929072 0.0488901 -2.4385235 -5.5059988 28 O -2.2534954 -0.8365400 0.8828231 -0.8076270 -1.7437426 1.0756157 0.9688741 0.8757129 -4.2621451 29 O -3.1090987 -1.2855054 -0.0152776 -1.4044273 -4.5893826 -0.0474501 0.0449504 0.0373182 -1.2513739 30 O -3.6285659 -0.2262202 -0.0096277 0.1726854 -3.4320149 -0.0414473 0.0437800 0.0808176 -1.3513974 31 O -2.3826682 -0.4336678 -0.9873556 -0.5487186 -1.5183492 -0.8545671 -1.1117282 -0.7673567 -4.4370630 32 O -2.2534954 0.8365400 0.8828231 0.8076270 -1.7437426 -1.0756157 0.9688741 -0.8757129 -4.2621451 33 O -1.6269481 -0.1184988 -0.1130606 -0.3085272 -2.5847072 2.0929072 0.0488901 2.4385235 -5.5059988 34 O -3.6285659 0.2262202 -0.0096277 -0.1726854 -3.4320149 0.0414473 0.0437800 -0.0808176 -1.3513974 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 35, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 59, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 21:44:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:44:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.357960863316893 -3.108260620000000 0.000000000000000 b 5.357960863316893 3.108260620000000 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): 1 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 2 Ta 0.13053774822126 0.23560049012059 0.75109798895945 180.948 3 Ta 0.76439950987941 0.86946225177874 0.74890201104055 180.948 4 Ta 0.40162376683863 0.59837623316137 0.75000000000000 180.948 5 Ta 0.00000000000000 0.50000000000000 0.50000000000000 180.948 6 Ta 0.59837623316137 0.40162376683863 0.25000000000000 180.948 7 Ta 0.23560049012059 0.13053774822126 0.25109798895945 180.948 8 Ta 0.86946225177874 0.76439950987941 0.24890201104055 180.948 9 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 10 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 11 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 12 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 13 O 0.42118335615927 0.89104916574584 0.72091563633835 15.999 14 O 0.23512147439558 0.51304182010207 0.24908878823828 15.999 15 O 0.98696247839262 0.01303752160738 0.25000000000000 15.999 16 O 0.24487197338062 0.22435170118721 0.90101396978360 15.999 17 O 0.75858943333368 0.92542528936515 0.90999579141180 15.999 18 O 0.45070443444678 0.71154522240893 0.90749612772397 15.999 19 O 0.76487852560442 0.48695817989793 0.75091121176172 15.999 20 O 0.10895083425416 0.57881664384073 0.77908436366165 15.999 21 O 0.51304182010207 0.23512147439558 0.74908878823828 15.999 22 O 0.01303752160738 0.98696247839262 0.75000000000000 15.999 23 O 0.07457471063485 0.24141056666632 0.59000420858820 15.999 24 O 0.77564829881279 0.75512802661938 0.59898603021640 15.999 25 O 0.28845477759107 0.54929556555322 0.59250387227603 15.999 26 O 0.71154522240893 0.45070443444678 0.40749612772397 15.999 27 O 0.22435170118721 0.24487197338062 0.40101396978360 15.999 28 O 0.92542528936515 0.75858943333368 0.40999579141180 15.999 29 O 0.48695817989793 0.76487852560442 0.25091121176172 15.999 30 O 0.89104916574584 0.42118335615927 0.22091563633836 15.999 31 O 0.54929556555322 0.28845477759107 0.09250387227603 15.999 32 O 0.24141056666632 0.07457471063485 0.09000420858820 15.999 33 O 0.75512802661938 0.77564829881279 0.09898603021640 15.999 34 O 0.57881664384073 0.10895083425416 0.27908436366165 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.715921726633786 0.000000000000000 0.000000000000000 b 0.000000000000000 12.433042479999999 0.000000000000000 c -3.571258335628262 0.000000000000000 12.492816776245920 Atomic positions (fractional): 1 Ta 0.25000000000000 0.37500000000000 0.00000000000000 180.948 > 1 2 Ta 0.25000000000000 0.87500000000000 0.00000000000000 180.948 > 1 3 Ta 0.68306911917092 0.27626568547483 0.75109798895945 180.948 > 3 4 Ta 0.68306911917092 0.77626568547483 0.75109798895945 180.948 > 3 5 Ta 0.31693088082908 0.27626568547483 0.74890201104055 180.948 > 5 6 Ta 0.31693088082908 0.77626568547483 0.74890201104055 180.948 > 5 7 Ta 0.00000000000000 0.29918811658069 0.75000000000000 180.948 > 7 8 Ta 0.00000000000000 0.79918811658069 0.75000000000000 180.948 > 7 9 Ta 0.75000000000000 0.37500000000000 0.50000000000000 180.948 > 9 10 Ta 0.75000000000000 0.87500000000000 0.50000000000000 180.948 > 9 11 Ta 0.00000000000000 0.20081188341931 0.25000000000000 180.948 > 11 12 Ta 0.00000000000000 0.70081188341931 0.25000000000000 180.948 > 11 13 Ta 0.68306911917092 0.22373431452517 0.25109798895945 180.948 > 13 14 Ta 0.68306911917092 0.72373431452517 0.25109798895945 180.948 > 13 15 Ta 0.31693088082908 0.22373431452517 0.24890201104055 180.948 > 15 16 Ta 0.31693088082908 0.72373431452517 0.24890201104055 180.948 > 15 17 Ta 0.75000000000000 0.12500000000000 0.00000000000000 180.948 > 1 18 Ta 0.75000000000000 0.62500000000000 0.00000000000000 180.948 > 1 19 Ta 0.18306911917092 0.02626568547483 0.75109798895945 180.948 > 3 20 Ta 0.18306911917092 0.52626568547483 0.75109798895945 180.948 > 3 21 Ta 0.81693088082908 0.02626568547483 0.74890201104055 180.948 > 5 22 Ta 0.81693088082908 0.52626568547483 0.74890201104055 180.948 > 5 23 Ta 0.50000000000000 0.04918811658069 0.75000000000000 180.948 > 7 24 Ta 0.50000000000000 0.54918811658069 0.75000000000000 180.948 > 7 25 Ta 0.25000000000000 0.12500000000000 0.50000000000000 180.948 > 9 26 Ta 0.25000000000000 0.62500000000000 0.50000000000000 180.948 > 9 27 Ta 0.50000000000000 0.45081188341931 0.25000000000000 180.948 > 11 28 Ta 0.50000000000000 0.95081188341931 0.25000000000000 180.948 > 11 29 Ta 0.18306911917092 0.47373431452517 0.25109798895945 180.948 > 13 30 Ta 0.18306911917092 0.97373431452517 0.25109798895945 180.948 > 13 31 Ta 0.81693088082908 0.47373431452517 0.24890201104055 180.948 > 15 32 Ta 0.81693088082908 0.97373431452517 0.24890201104055 180.948 > 15 33 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 33 34 Cu 0.00000000000000 0.50000000000000 0.00000000000000 63.546 > 33 35 Cu 0.00000000000000 0.25000000000000 0.00000000000000 63.546 > 35 36 Cu 0.00000000000000 0.75000000000000 0.00000000000000 63.546 > 35 37 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 37 38 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 37 39 Cu 0.00000000000000 0.25000000000000 0.50000000000000 63.546 > 39 40 Cu 0.00000000000000 0.75000000000000 0.50000000000000 63.546 > 39 41 Cu 0.50000000000000 0.25000000000000 0.00000000000000 63.546 > 33 42 Cu 0.50000000000000 0.75000000000000 0.00000000000000 63.546 > 33 43 Cu 0.50000000000000 0.00000000000000 0.00000000000000 63.546 > 35 44 Cu 0.50000000000000 0.50000000000000 0.00000000000000 63.546 > 35 45 Cu 0.50000000000000 0.25000000000000 0.50000000000000 63.546 > 37 46 Cu 0.50000000000000 0.75000000000000 0.50000000000000 63.546 > 37 47 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 39 48 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 39 49 O 0.15611626095255 0.36746645239664 0.72091563633835 15.999 > 49 50 O 0.15611626095255 0.86746645239664 0.72091563633835 15.999 > 49 51 O 0.87408164724882 0.31948008642662 0.24908878823828 15.999 > 51 52 O 0.87408164724882 0.81948008642662 0.24908878823828 15.999 > 51 53 O 0.00000000000000 0.00651876080369 0.25000000000000 15.999 > 53 54 O 0.00000000000000 0.50651876080369 0.25000000000000 15.999 > 53 55 O 0.73461183728392 0.24486993195165 0.90101396978360 15.999 > 55 56 O 0.73461183728392 0.74486993195165 0.90101396978360 15.999 > 55 57 O 0.34200736134941 0.29170896400787 0.90999579141180 15.999 > 57 58 O 0.34200736134941 0.79170896400787 0.90999579141180 15.999 > 57 59 O 0.08112482842786 0.31521019699054 0.90749612772397 15.999 > 59 60 O 0.08112482842786 0.81521019699054 0.90749612772397 15.999 > 59 61 O 0.12591835275118 0.18051991357338 0.75091121176172 15.999 > 61 62 O 0.12591835275118 0.68051991357338 0.75091121176172 15.999 > 61 63 O 0.84388373904745 0.36746645239664 0.77908436366165 15.999 > 63 64 O 0.84388373904745 0.86746645239664 0.77908436366165 15.999 > 63 65 O 0.87408164724882 0.18051991357338 0.74908878823828 15.999 > 65 66 O 0.87408164724882 0.68051991357338 0.74908878823828 15.999 > 65 67 O 0.00000000000000 0.49348123919631 0.75000000000000 15.999 > 67 68 O 0.00000000000000 0.99348123919631 0.75000000000000 15.999 > 67 69 O 0.65799263865059 0.29170896400787 0.59000420858820 15.999 > 69 70 O 0.65799263865059 0.79170896400787 0.59000420858820 15.999 > 69 71 O 0.26538816271608 0.24486993195165 0.59898603021640 15.999 > 71 72 O 0.26538816271608 0.74486993195165 0.59898603021640 15.999 > 71 73 O 0.91887517157214 0.31521019699054 0.59250387227603 15.999 > 73 74 O 0.91887517157214 0.81521019699054 0.59250387227603 15.999 > 73 75 O 0.08112482842786 0.18478980300946 0.40749612772397 15.999 > 75 76 O 0.08112482842786 0.68478980300946 0.40749612772397 15.999 > 75 77 O 0.73461183728392 0.25513006804835 0.40101396978360 15.999 > 77 78 O 0.73461183728392 0.75513006804835 0.40101396978360 15.999 > 77 79 O 0.34200736134941 0.20829103599213 0.40999579141180 15.999 > 79 80 O 0.34200736134941 0.70829103599213 0.40999579141180 15.999 > 79 81 O 0.12591835275118 0.31948008642662 0.25091121176172 15.999 > 81 82 O 0.12591835275118 0.81948008642662 0.25091121176172 15.999 > 81 83 O 0.15611626095255 0.13253354760336 0.22091563633836 15.999 > 83 84 O 0.15611626095255 0.63253354760336 0.22091563633836 15.999 > 83 85 O 0.91887517157214 0.18478980300946 0.09250387227603 15.999 > 85 86 O 0.91887517157214 0.68478980300946 0.09250387227603 15.999 > 85 87 O 0.65799263865059 0.20829103599213 0.09000420858820 15.999 > 87 88 O 0.65799263865059 0.70829103599213 0.09000420858820 15.999 > 87 89 O 0.26538816271608 0.25513006804835 0.09898603021640 15.999 > 89 90 O 0.26538816271608 0.75513006804835 0.09898603021640 15.999 > 89 91 O 0.84388373904745 0.13253354760336 0.27908436366165 15.999 > 91 92 O 0.84388373904745 0.63253354760336 0.27908436366165 15.999 > 91 93 O 0.65611626095255 0.11746645239664 0.72091563633835 15.999 > 49 94 O 0.65611626095255 0.61746645239664 0.72091563633835 15.999 > 49 95 O 0.37408164724882 0.06948008642662 0.24908878823828 15.999 > 51 96 O 0.37408164724882 0.56948008642662 0.24908878823828 15.999 > 51 97 O 0.50000000000000 0.25651876080369 0.25000000000000 15.999 > 53 98 O 0.50000000000000 0.75651876080369 0.25000000000000 15.999 > 53 99 O 0.23461183728392 0.49486993195165 0.90101396978360 15.999 > 55 100 O 0.23461183728392 0.99486993195165 0.90101396978360 15.999 > 55 101 O 0.84200736134941 0.04170896400787 0.90999579141180 15.999 > 57 102 O 0.84200736134941 0.54170896400787 0.90999579141180 15.999 > 57 103 O 0.58112482842786 0.06521019699054 0.90749612772397 15.999 > 59 104 O 0.58112482842786 0.56521019699054 0.90749612772397 15.999 > 59 105 O 0.62591835275118 0.43051991357338 0.75091121176172 15.999 > 61 106 O 0.62591835275118 0.93051991357338 0.75091121176172 15.999 > 61 107 O 0.34388373904745 0.11746645239664 0.77908436366165 15.999 > 63 108 O 0.34388373904745 0.61746645239664 0.77908436366165 15.999 > 63 109 O 0.37408164724882 0.43051991357338 0.74908878823828 15.999 > 65 110 O 0.37408164724882 0.93051991357338 0.74908878823828 15.999 > 65 111 O 0.50000000000000 0.24348123919631 0.75000000000000 15.999 > 67 112 O 0.50000000000000 0.74348123919631 0.75000000000000 15.999 > 67 113 O 0.15799263865059 0.04170896400787 0.59000420858820 15.999 > 69 114 O 0.15799263865059 0.54170896400787 0.59000420858820 15.999 > 69 115 O 0.76538816271608 0.49486993195165 0.59898603021640 15.999 > 71 116 O 0.76538816271608 0.99486993195165 0.59898603021640 15.999 > 71 117 O 0.41887517157214 0.06521019699054 0.59250387227603 15.999 > 73 118 O 0.41887517157214 0.56521019699054 0.59250387227603 15.999 > 73 119 O 0.58112482842786 0.43478980300946 0.40749612772397 15.999 > 75 120 O 0.58112482842786 0.93478980300946 0.40749612772397 15.999 > 75 121 O 0.23461183728392 0.00513006804835 0.40101396978360 15.999 > 77 122 O 0.23461183728392 0.50513006804835 0.40101396978360 15.999 > 77 123 O 0.84200736134941 0.45829103599213 0.40999579141180 15.999 > 79 124 O 0.84200736134941 0.95829103599213 0.40999579141180 15.999 > 79 125 O 0.62591835275118 0.06948008642662 0.25091121176172 15.999 > 81 126 O 0.62591835275118 0.56948008642662 0.25091121176172 15.999 > 81 127 O 0.65611626095255 0.38253354760336 0.22091563633836 15.999 > 83 128 O 0.65611626095255 0.88253354760336 0.22091563633836 15.999 > 83 129 O 0.41887517157214 0.43478980300946 0.09250387227603 15.999 > 85 130 O 0.41887517157214 0.93478980300946 0.09250387227603 15.999 > 85 131 O 0.15799263865059 0.45829103599213 0.09000420858820 15.999 > 87 132 O 0.15799263865059 0.95829103599213 0.09000420858820 15.999 > 87 133 O 0.76538816271608 0.00513006804835 0.09898603021640 15.999 > 89 134 O 0.76538816271608 0.50513006804835 0.09898603021640 15.999 > 89 135 O 0.34388373904745 0.38253354760336 0.27908436366165 15.999 > 91 136 O 0.34388373904745 0.88253354760336 0.27908436366165 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4564835 0.0000000 0.0383342 0.0000000 6.1812351 0.0000000 0.0383380 0.0000000 7.2546897 -------------------------- Born effective charges -------------------------- 1 Ta 8.1187218 -0.4408617 -0.0508035 0.1696845 7.0057809 -0.1181531 -0.3360736 -0.9795282 9.6965746 2 Ta 7.0047136 0.6343146 -0.2157512 0.6738936 7.6460463 -1.8844039 -0.0046701 -0.8402618 7.9401879 3 Ta 7.0047136 -0.6343146 -0.2157512 -0.6738936 7.6460463 1.8844039 -0.0046701 0.8402618 7.9401879 4 Ta 7.9699289 0.0000000 0.7026425 0.0000000 6.4703726 0.0000000 0.3278248 -0.0000000 8.0565446 5 Ta 8.1187218 0.4408617 -0.0508035 -0.1696845 7.0057809 0.1181531 -0.3360736 0.9795282 9.6965746 6 Ta 7.9699289 0.0000000 0.7026425 0.0000000 6.4703726 0.0000000 0.3278248 -0.0000000 8.0565446 7 Ta 7.0047136 -0.6343146 -0.2157512 -0.6738936 7.6460463 1.8844039 -0.0046701 0.8402618 7.9401879 8 Ta 7.0047136 0.6343146 -0.2157512 0.6738936 7.6460463 -1.8844039 -0.0046701 -0.8402618 7.9401879 9 Cu 0.5541974 -0.1884156 0.1495640 -0.0737996 0.6089788 0.1041323 0.0703587 0.1494294 0.7055146 10 Cu 0.7353914 0.0750443 0.0805637 0.0818406 0.5842411 -0.0252073 0.1931890 -0.0208428 0.7271444 11 Cu 0.5541974 0.1884156 0.1495640 0.0737996 0.6089788 -0.1041323 0.0703587 -0.1494294 0.7055146 12 Cu 0.7353914 -0.0750443 0.0805637 -0.0818406 0.5842411 0.0252073 0.1931890 0.0208428 0.7271444 13 O -3.6285659 0.2262202 -0.0096277 -0.1726854 -3.4320149 0.0414473 0.0437800 -0.0808176 -1.3513974 14 O -3.1090987 1.2855054 -0.0152776 1.4044273 -4.5893826 0.0474501 0.0449504 -0.0373182 -1.2513739 15 O -5.3861139 0.0000000 0.0345326 0.0000000 -2.2250732 0.0000000 -0.2354917 -0.0000000 -1.4501973 16 O -1.6269481 -0.1184988 -0.1130606 -0.3085272 -2.5847072 2.0929072 0.0488901 2.4385235 -5.5059988 17 O -2.2534954 0.8365400 0.8828231 0.8076270 -1.7437426 -1.0756157 0.9688741 -0.8757129 -4.2621451 18 O -2.3826682 -0.4336678 -0.9873556 -0.5487186 -1.5183492 -0.8545671 -1.1117282 -0.7673567 -4.4370630 19 O -3.1090987 1.2855054 -0.0152776 1.4044273 -4.5893826 0.0474501 0.0449504 -0.0373182 -1.2513739 20 O -3.6285659 -0.2262202 -0.0096277 0.1726854 -3.4320149 -0.0414473 0.0437800 0.0808176 -1.3513974 21 O -3.1090987 -1.2855054 -0.0152776 -1.4044273 -4.5893826 -0.0474501 0.0449504 0.0373182 -1.2513739 22 O -5.3861139 0.0000000 0.0345326 0.0000000 -2.2250732 0.0000000 -0.2354917 -0.0000000 -1.4501973 23 O -2.2534954 -0.8365400 0.8828231 -0.8076270 -1.7437426 1.0756157 0.9688741 0.8757129 -4.2621451 24 O -1.6269481 0.1184988 -0.1130606 0.3085272 -2.5847072 -2.0929072 0.0488901 -2.4385235 -5.5059988 25 O -2.3826682 0.4336678 -0.9873556 0.5487186 -1.5183492 0.8545671 -1.1117282 0.7673567 -4.4370630 26 O -2.3826682 0.4336678 -0.9873556 0.5487186 -1.5183492 0.8545671 -1.1117282 0.7673567 -4.4370630 27 O -1.6269481 0.1184988 -0.1130606 0.3085272 -2.5847072 -2.0929072 0.0488901 -2.4385235 -5.5059988 28 O -2.2534954 -0.8365400 0.8828231 -0.8076270 -1.7437426 1.0756157 0.9688741 0.8757129 -4.2621451 29 O -3.1090987 -1.2855054 -0.0152776 -1.4044273 -4.5893826 -0.0474501 0.0449504 0.0373182 -1.2513739 30 O -3.6285659 -0.2262202 -0.0096277 0.1726854 -3.4320149 -0.0414473 0.0437800 0.0808176 -1.3513974 31 O -2.3826682 -0.4336678 -0.9873556 -0.5487186 -1.5183492 -0.8545671 -1.1117282 -0.7673567 -4.4370630 32 O -2.2534954 0.8365400 0.8828231 0.8076270 -1.7437426 -1.0756157 0.9688741 -0.8757129 -4.2621451 33 O -1.6269481 -0.1184988 -0.1130606 -0.3085272 -2.5847072 2.0929072 0.0488901 2.4385235 -5.5059988 34 O -3.6285659 0.2262202 -0.0096277 -0.1726854 -3.4320149 0.0414473 0.0437800 -0.0808176 -1.3513974 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.56, Number of G-points: 289, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 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 0.886 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.113 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 11.561 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.628 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 14.760 ( 0.000 0.000 0.000) 0.000 14.891 ( 0.000 0.000 0.000) 0.000 14.994 ( 0.000 0.000 0.000) 0.000 15.099 ( 0.000 0.000 0.000) 0.000 15.121 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.153 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.450 ( 0.000 0.000 0.000) 0.000 17.018 ( 0.000 0.000 0.000) 0.000 17.571 ( 0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 18.781 ( 0.000 0.000 0.000) 0.000 18.842 ( 0.000 0.000 0.000) 0.000 18.915 ( 0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.111 ( 0.000 0.000 0.000) 0.000 19.317 ( 0.000 0.000 0.000) 0.000 20.456 ( 0.000 0.000 0.000) 0.000 20.535 ( 0.000 0.000 0.000) 0.000 20.548 ( 0.000 0.000 0.000) 0.000 20.665 ( 0.000 0.000 0.000) 0.000 23.236 ( 0.000 0.000 0.000) 0.000 24.798 ( 0.000 0.000 0.000) 0.000 25.402 ( 0.000 0.000 0.000) 0.000 25.982 ( 0.000 0.000 0.000) 0.000 26.189 ( 0.000 0.000 0.000) 0.000 26.334 ( 0.000 0.000 0.000) 0.000 26.922 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 6.674 -26.438 5.327) 27.783 0.677 ( 14.089 -26.173 12.934) 32.416 0.981 ( 28.412 -24.618 5.211) 37.953 1.051 ( 10.141 -3.447 13.791) 17.462 1.155 ( 7.642 -2.898 2.826) 8.647 1.188 ( 4.070 -7.554 -0.276) 8.585 1.635 ( 10.434 -5.613 -1.016) 11.891 1.739 ( 7.897 -8.571 -7.602) 13.914 1.889 ( 1.320 -20.717 -1.864) 20.843 2.122 ( 2.015 -5.051 -3.429) 6.429 2.191 ( 1.460 3.723 3.481) 5.302 2.414 ( -1.123 -2.429 -0.993) 2.854 2.647 ( 6.881 5.269 6.579) 10.881 2.766 ( 3.457 1.760 4.941) 6.282 2.917 ( -1.354 -0.483 4.751) 4.964 2.986 ( 3.918 -0.973 -3.186) 5.143 3.138 ( 2.096 2.657 -0.810) 3.479 3.162 ( -1.506 0.194 -0.099) 1.522 3.438 ( -4.934 3.688 -7.959) 10.065 3.740 ( 2.272 8.592 -0.144) 8.889 4.004 ( -3.398 4.686 13.902) 15.059 4.055 ( 2.673 -4.317 0.141) 5.079 4.270 ( -2.436 -8.209 1.596) 8.711 4.424 ( -3.772 10.677 -1.540) 11.428 4.734 ( -5.061 1.080 -3.713) 6.369 4.891 ( -7.580 0.750 -4.679) 8.939 5.002 ( 2.273 0.470 2.825) 3.656 5.070 ( 1.689 4.339 -3.320) 5.719 5.198 ( -2.586 4.886 -1.301) 5.679 5.261 ( -9.247 2.492 5.689) 11.139 5.378 ( 3.580 9.430 -1.089) 10.145 5.425 ( -3.155 -1.128 5.558) 6.490 5.759 ( -2.303 -6.774 3.748) 8.077 5.909 ( 6.551 -9.775 -0.207) 11.770 6.035 ( 18.337 5.777 -8.375) 20.971 6.201 ( 2.730 -2.490 -2.211) 4.306 6.311 ( 0.776 0.831 -1.521) 1.899 6.361 ( -0.397 -2.898 1.721) 3.394 6.427 ( 2.281 -5.845 3.447) 7.159 6.773 ( -1.561 -2.114 1.164) 2.874 6.995 ( 1.046 4.291 -1.317) 4.609 7.292 ( 4.417 1.250 2.469) 5.213 7.409 ( -0.489 -2.577 -0.070) 2.624 7.754 ( -1.944 2.038 -2.326) 3.653 7.957 ( -13.292 -6.148 9.624) 17.524 8.108 ( -3.424 -7.504 -6.949) 10.785 8.319 ( 8.536 1.695 4.752) 9.916 8.507 ( 18.976 5.802 -7.949) 21.376 8.708 ( -4.980 10.905 3.160) 12.397 9.009 ( -7.774 -2.179 -4.612) 9.298 9.096 ( -4.993 -0.495 -1.741) 5.311 9.130 ( -9.092 1.000 -12.256) 15.293 9.265 ( -6.479 7.055 3.409) 10.167 9.430 ( 1.123 8.828 2.424) 9.223 9.443 ( 5.959 1.471 -11.176) 12.751 9.527 ( -0.783 6.797 1.524) 7.009 9.727 ( 7.425 -2.000 7.092) 10.460 9.811 ( 1.683 6.206 2.807) 7.016 10.063 ( 0.209 -9.310 -4.948) 10.545 10.156 ( 0.141 -1.700 7.493) 7.684 10.748 ( -1.088 2.597 10.871) 11.230 11.317 ( 1.753 20.066 2.082) 20.249 11.953 ( -0.142 -8.071 6.328) 10.257 12.580 ( -2.092 2.136 0.414) 3.018 12.657 ( -5.748 -5.685 -0.895) 8.133 12.731 ( -8.074 -8.832 2.898) 12.313 13.061 ( -0.411 5.157 0.831) 5.240 13.188 ( -3.315 -3.661 -2.235) 5.421 14.616 ( 4.357 3.045 -7.062) 8.839 14.762 ( -4.001 -0.997 0.042) 4.123 14.906 ( 4.939 -2.479 7.961) 9.691 15.119 ( 4.550 -15.509 3.207) 16.477 15.155 ( 2.673 -11.314 -3.698) 12.200 15.268 ( 6.569 -12.956 1.331) 14.588 15.994 ( -2.040 0.301 -8.466) 8.713 16.029 ( 1.120 -1.839 0.219) 2.165 16.091 ( -3.303 -2.655 -11.466) 12.224 16.248 ( 3.591 2.091 9.982) 10.813 16.418 ( 11.466 -3.059 11.594) 16.590 16.971 ( 0.580 2.118 -5.025) 5.484 17.484 ( -6.147 3.104 -2.802) 7.435 17.552 ( -1.066 2.180 0.934) 2.600 17.652 ( 5.563 0.311 0.159) 5.574 17.706 ( 1.723 -1.842 -0.240) 2.533 18.315 ( 13.492 3.018 -1.716) 13.931 18.734 ( -5.964 3.886 -7.856) 10.602 18.844 ( 2.608 -1.909 2.048) 3.826 18.939 ( 2.205 4.643 3.684) 6.324 19.167 ( 4.871 -10.125 -1.809) 11.380 19.378 ( 1.779 -9.618 -2.726) 10.153 20.351 ( -3.795 1.203 9.049) 9.886 20.495 ( 3.360 -1.415 4.728) 5.971 20.570 ( -0.290 -2.505 2.240) 3.373 20.682 ( 3.689 0.173 -0.466) 3.723 21.800 ( -1.180 -5.486 23.338) 24.004 23.566 ( -21.732 -10.779 -12.744) 27.402 24.730 ( -2.973 7.426 11.898) 14.337 25.349 ( -5.313 2.951 -2.366) 6.522 25.987 ( -6.180 3.194 1.504) 7.117 26.121 ( -3.659 5.833 -10.223) 12.326 26.357 ( 5.473 3.284 2.099) 6.719 26.863 ( -2.545 4.803 -0.755) 5.488 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 8.653 -24.534 8.489) 27.365 1.280 ( 9.415 -18.043 3.331) 20.622 1.290 ( 3.328 -16.921 6.826) 18.547 1.303 ( -0.636 -11.106 2.599) 11.424 1.358 ( 14.709 -5.338 22.065) 27.050 1.602 ( 16.578 -10.660 1.344) 19.755 1.845 ( 8.651 -6.375 -9.390) 14.270 2.064 ( 3.722 -3.019 0.477) 4.817 2.104 ( 7.206 -2.123 -2.023) 7.780 2.147 ( 8.168 -5.888 0.510) 10.082 2.301 ( 8.033 0.026 1.514) 8.174 2.452 ( -2.414 -1.306 -0.185) 2.750 2.622 ( 4.142 5.349 -0.717) 6.803 2.810 ( 4.661 -0.334 6.115) 7.696 2.911 ( -2.122 1.042 3.655) 4.353 3.040 ( 2.582 -0.707 -1.673) 3.157 3.099 ( 2.292 4.890 -2.404) 5.911 3.134 ( -3.353 -0.816 0.806) 3.544 3.275 ( -4.665 5.011 -3.930) 7.894 3.626 ( 2.007 5.289 -12.352) 13.586 3.887 ( 1.094 6.036 8.303) 10.324 4.126 ( -0.182 4.049 -4.440) 6.012 4.180 ( -1.300 1.356 0.590) 1.969 4.434 ( 3.721 -4.693 6.101) 8.549 4.604 ( -10.125 6.276 3.507) 12.418 4.715 ( -8.725 4.258 -5.276) 11.050 4.928 ( -5.695 2.602 -8.026) 10.179 5.055 ( -9.230 -3.139 3.698) 10.427 5.098 ( 1.541 -1.136 -3.915) 4.358 5.273 ( 3.765 -4.392 3.061) 6.544 5.348 ( 13.462 0.164 -5.984) 14.733 5.511 ( 2.299 -6.770 1.322) 7.271 5.805 ( -1.727 -0.237 0.577) 1.836 6.071 ( 0.350 -4.124 0.372) 4.155 6.075 ( 8.835 4.250 -2.893) 10.222 6.269 ( 1.355 2.008 12.051) 12.292 6.356 ( 3.936 -4.589 -4.391) 7.472 6.484 ( 0.571 -10.376 1.346) 10.479 6.579 ( 4.129 -5.969 2.206) 7.586 6.754 ( -2.529 2.766 -0.507) 3.782 6.953 ( 1.954 1.104 0.875) 2.409 7.319 ( -2.135 -1.997 -1.001) 3.090 7.473 ( -2.174 -5.780 -1.551) 6.367 7.671 ( -2.192 3.250 -3.180) 5.048 7.950 ( -10.002 -2.564 13.273) 16.816 8.112 ( 0.056 0.638 -8.646) 8.669 8.354 ( 2.122 5.248 1.712) 5.914 8.453 ( -0.581 10.375 5.242) 11.639 8.628 ( 2.035 -1.718 -1.769) 3.197 8.849 ( -10.442 6.788 -8.608) 15.140 8.934 ( -7.275 6.767 1.868) 10.109 9.006 ( -5.525 7.617 3.972) 10.214 9.082 ( -2.497 3.815 -0.257) 4.567 9.227 ( -3.413 8.417 -3.908) 9.888 9.289 ( -2.474 10.941 0.940) 11.256 9.521 ( -1.260 3.165 -8.769) 9.407 9.811 ( 8.084 -4.460 3.628) 9.920 9.877 ( 5.806 -3.357 2.748) 7.248 10.204 ( -1.183 -7.308 -0.578) 7.426 10.257 ( 1.281 -6.906 3.821) 7.996 10.720 ( -0.741 2.464 5.064) 5.680 11.015 ( 4.290 15.405 -0.441) 15.998 12.083 ( -0.429 -5.521 3.752) 6.689 12.514 ( 0.209 3.630 -0.083) 3.637 12.680 ( -5.955 -4.048 -2.452) 7.606 12.785 ( -2.575 -2.038 0.916) 3.409 13.039 ( 3.883 -0.191 3.117) 4.983 13.224 ( -4.499 -5.879 -2.985) 7.983 14.545 ( -2.399 3.896 -7.115) 8.460 14.732 ( -0.546 1.147 4.560) 4.733 15.028 ( 9.186 4.712 13.346) 16.874 15.238 ( -0.479 -3.418 -5.422) 6.427 15.491 ( 2.780 -15.062 -1.911) 15.435 15.569 ( -3.362 -13.911 -3.825) 14.814 16.008 ( -7.328 -3.340 -3.972) 8.979 16.059 ( 2.021 -0.597 3.197) 3.829 16.227 ( 12.865 -10.986 -5.675) 17.844 16.428 ( 10.995 -16.305 4.040) 20.076 16.636 ( 6.028 -6.900 7.492) 11.835 16.910 ( 3.650 5.036 -0.499) 6.240 17.356 ( -4.925 2.700 -1.895) 5.927 17.512 ( -0.944 1.612 0.371) 1.905 17.707 ( 5.936 -0.237 -0.631) 5.974 17.763 ( 2.552 -2.397 -1.085) 3.665 18.391 ( 5.634 1.865 0.510) 5.956 18.558 ( -2.757 3.732 -12.581) 13.409 18.842 ( -3.090 4.824 6.980) 9.030 18.911 ( 3.174 1.074 1.833) 3.819 19.500 ( 11.557 -14.266 -1.952) 18.464 19.615 ( 7.626 -10.956 -0.279) 13.352 20.331 ( -4.539 -2.525 0.121) 5.196 20.579 ( 7.552 3.146 2.697) 8.614 20.662 ( -5.813 -13.566 4.208) 15.348 20.748 ( 10.890 -1.480 0.568) 11.004 22.030 ( 4.099 -12.170 12.363) 17.826 23.486 ( -13.228 -7.413 -25.278) 29.478 24.571 ( -3.452 11.444 23.043) 25.959 25.146 ( -10.833 9.576 -5.336) 15.412 25.800 ( -4.758 11.155 0.461) 12.136 25.941 ( -7.460 5.171 -4.807) 10.271 26.331 ( 3.037 5.078 4.003) 7.144 26.706 ( -4.825 7.495 -2.224) 9.187 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 2.832 -5.572 0.293) 6.257 1.447 ( 1.362 -3.538 10.574) 11.233 1.485 ( -1.491 -9.274 6.823) 11.610 1.680 ( -2.323 -11.219 4.013) 12.139 1.796 ( -2.745 7.062 3.534) 8.360 1.817 ( 10.589 -11.985 14.771) 21.770 1.900 ( 7.002 -0.458 -10.445) 12.583 2.040 ( 0.635 1.690 -1.683) 2.468 2.176 ( 3.808 -0.443 -3.366) 5.102 2.275 ( -3.874 5.230 4.542) 7.937 2.332 ( 16.996 -4.316 -0.436) 17.541 2.384 ( 9.122 2.530 5.950) 11.181 2.558 ( 5.734 4.363 -2.894) 7.765 2.843 ( -3.993 2.984 -1.586) 5.231 2.897 ( 4.208 -1.089 5.969) 7.384 2.946 ( -3.984 5.540 4.376) 8.107 3.094 ( 5.822 1.129 -7.580) 9.624 3.141 ( -1.461 -1.686 2.018) 3.008 3.205 ( -5.369 -2.106 -2.390) 6.243 3.473 ( -0.839 8.427 -16.841) 18.850 3.854 ( 0.779 4.739 3.129) 5.732 4.094 ( -10.825 7.833 -2.186) 13.539 4.227 ( 9.630 -11.422 0.328) 14.944 4.285 ( -9.125 12.958 0.026) 15.849 4.409 ( -1.117 2.183 1.976) 3.149 4.768 ( 6.829 -6.990 7.310) 12.204 4.985 ( 9.179 -6.715 -9.560) 14.857 5.089 ( -7.319 -7.738 4.975) 11.756 5.171 ( -4.438 -11.388 -6.157) 13.685 5.447 ( 6.862 -5.170 5.453) 10.176 5.519 ( 14.099 -4.525 -11.673) 18.855 5.687 ( 2.895 -7.931 -0.721) 8.474 5.784 ( -1.448 -1.183 -3.408) 3.887 6.036 ( 3.138 5.984 -1.427) 6.906 6.111 ( -3.769 -0.614 9.029) 9.804 6.254 ( 0.408 2.722 10.957) 11.297 6.447 ( 0.221 -2.316 -2.110) 3.141 6.590 ( -2.930 0.164 3.992) 4.954 6.705 ( 5.061 1.181 2.672) 5.844 6.781 ( 4.818 -10.907 -6.651) 13.653 6.957 ( 0.866 1.863 1.711) 2.674 7.303 ( -5.158 -2.060 -4.689) 7.269 7.518 ( -3.960 -1.981 -2.723) 5.198 7.598 ( -1.572 1.703 -1.293) 2.654 7.922 ( -8.323 -1.176 11.632) 14.351 8.064 ( 0.868 2.375 -7.185) 7.617 8.233 ( 1.195 6.969 2.067) 7.366 8.309 ( -3.643 4.068 3.122) 6.291 8.567 ( -6.332 6.340 -1.269) 9.050 8.590 ( -5.743 8.106 -3.686) 10.596 8.740 ( -5.328 9.542 4.547) 11.837 8.819 ( -2.986 7.558 -0.377) 8.135 9.023 ( -2.101 2.273 -1.198) 3.319 9.072 ( -5.742 6.484 4.463) 9.743 9.099 ( -1.122 1.992 -5.328) 5.798 9.398 ( 2.105 6.710 -3.195) 7.724 9.997 ( 4.035 -3.307 3.063) 6.050 10.012 ( 5.109 -6.989 -1.118) 8.729 10.289 ( -1.875 -4.323 -0.758) 4.772 10.407 ( 0.685 -4.471 6.152) 7.635 10.656 ( 1.331 3.875 1.239) 4.280 10.909 ( 5.008 2.619 -2.055) 6.013 12.173 ( -0.330 -4.152 2.264) 4.740 12.474 ( 2.388 2.504 0.393) 3.482 12.671 ( -4.428 -2.919 -5.624) 7.731 12.778 ( -0.819 0.865 2.171) 2.476 13.111 ( 3.343 -1.365 3.334) 4.915 13.282 ( -3.490 -5.785 -2.187) 7.102 14.409 ( -4.460 4.196 -5.487) 8.222 14.742 ( 1.425 0.454 5.851) 6.039 14.919 ( -2.059 11.158 5.285) 12.517 15.278 ( 0.090 -2.399 -3.521) 4.261 15.730 ( 3.257 -8.613 -2.568) 9.560 15.744 ( 0.802 -8.333 -1.411) 8.490 15.972 ( -4.655 -2.590 -5.428) 7.605 16.094 ( -0.411 -0.288 7.921) 7.937 16.487 ( 6.617 -7.797 -4.668) 11.241 16.686 ( 2.693 2.696 0.324) 3.824 16.925 ( 6.322 -0.658 7.516) 9.843 17.030 ( 12.414 -21.101 -3.983) 24.804 17.328 ( -0.959 -4.256 0.704) 4.419 17.469 ( -1.864 1.639 0.635) 2.562 17.800 ( 6.393 -3.453 0.601) 7.291 17.838 ( 3.509 -3.121 -1.201) 4.848 18.292 ( -3.779 4.906 -4.250) 7.511 18.570 ( 6.784 -1.351 -3.563) 7.781 18.753 ( -5.488 2.271 3.700) 6.998 18.871 ( 0.607 5.732 2.729) 6.378 19.800 ( 9.849 -6.641 -0.607) 11.894 19.840 ( 6.923 -3.211 -0.373) 7.640 20.337 ( -8.285 -4.537 -2.812) 9.856 20.573 ( 0.897 2.914 4.794) 5.681 20.921 ( 12.393 -14.616 -0.885) 19.183 21.076 ( 8.306 -19.415 2.166) 21.228 22.359 ( 5.627 -14.073 7.404) 16.868 23.414 ( -8.766 -5.495 -24.631) 26.716 24.414 ( -1.345 10.915 25.377) 27.657 24.766 ( -14.289 14.510 -8.126) 21.927 25.521 ( -4.612 14.058 0.907) 14.823 25.764 ( -6.224 4.616 -2.630) 8.183 26.281 ( 2.585 4.764 4.870) 7.287 26.505 ( -6.161 6.750 -4.050) 9.996 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -7.171 13.272 -1.577) 15.168 1.241 ( -10.905 19.511 1.866) 22.429 1.667 ( -2.260 -6.543 -2.068) 7.225 1.681 ( -0.155 -6.690 4.994) 8.350 1.779 ( 5.374 0.224 6.943) 8.783 1.845 ( -0.082 5.237 -0.009) 5.238 1.925 ( 3.240 3.692 1.693) 5.195 2.170 ( -1.631 -4.941 -0.440) 5.222 2.256 ( 3.218 -6.107 -16.746) 18.113 2.343 ( 1.251 1.708 10.560) 10.770 2.450 ( 4.562 -6.648 18.580) 20.254 2.668 ( 7.515 -2.974 -11.836) 14.332 2.709 ( 7.714 -4.948 -0.814) 9.200 2.720 ( 3.669 -4.360 -0.413) 5.713 2.842 ( -1.171 3.552 5.119) 6.339 2.980 ( 3.748 -0.998 3.369) 5.137 3.090 ( 0.863 0.739 -2.641) 2.875 3.168 ( -4.783 -1.930 5.468) 7.517 3.178 ( -3.718 -0.697 -0.872) 3.882 3.249 ( 0.305 7.911 -15.496) 17.401 3.619 ( -6.471 11.320 -0.136) 13.040 3.797 ( -8.075 9.413 -1.289) 12.468 4.132 ( -1.082 -0.069 0.403) 1.157 4.393 ( 0.364 -1.202 1.398) 1.880 4.584 ( 9.883 -8.137 1.720) 12.916 4.889 ( -0.249 0.810 -0.722) 1.113 5.119 ( 0.197 -4.369 0.826) 4.451 5.238 ( 0.951 -7.874 0.977) 7.991 5.324 ( 2.594 -5.513 -3.750) 7.154 5.594 ( 3.976 -3.237 2.141) 5.556 5.679 ( 5.751 -1.733 -7.307) 9.459 5.786 ( 1.084 -3.062 -3.458) 4.745 5.833 ( -0.855 -6.620 -3.407) 7.494 5.938 ( -0.432 5.763 1.706) 6.026 6.032 ( -3.712 6.649 10.895) 13.293 6.313 ( 1.477 -3.501 3.675) 5.286 6.428 ( -2.061 0.685 0.593) 2.252 6.583 ( 0.684 -0.258 -0.370) 0.820 6.744 ( 3.446 1.070 2.419) 4.344 6.875 ( -3.814 0.526 -4.642) 6.031 6.975 ( 3.404 -1.983 0.377) 3.958 7.299 ( -0.931 -2.436 -1.725) 3.127 7.461 ( -1.895 2.148 -2.104) 3.554 7.544 ( -2.649 1.294 -0.179) 2.954 7.928 ( -4.520 -4.046 9.938) 11.643 8.004 ( 2.855 4.104 -8.354) 9.736 8.192 ( 2.080 1.713 2.848) 3.921 8.270 ( -2.771 -3.300 -0.345) 4.323 8.378 ( -3.364 8.086 -1.015) 8.816 8.448 ( -4.086 -1.655 0.364) 4.424 8.563 ( 1.221 8.777 0.791) 8.897 8.634 ( -3.974 5.755 -0.254) 6.999 8.941 ( -2.384 1.531 0.516) 2.880 8.989 ( -2.266 1.081 0.741) 2.618 9.093 ( 0.669 -0.768 -1.775) 2.046 9.331 ( 1.821 2.600 -0.674) 3.245 10.079 ( 1.237 -1.653 1.675) 2.659 10.130 ( 1.950 -2.311 -1.176) 3.245 10.325 ( -1.374 -2.255 -1.842) 3.219 10.414 ( -0.610 2.675 4.726) 5.465 10.693 ( 3.086 -2.103 -0.126) 3.736 10.924 ( 1.104 0.002 -0.974) 1.472 12.236 ( -0.262 -2.308 0.769) 2.447 12.457 ( 1.305 1.872 0.717) 2.392 12.683 ( -0.966 -3.359 -5.945) 6.897 12.753 ( -0.396 2.079 3.636) 4.207 13.159 ( 1.105 -0.492 1.458) 1.895 13.329 ( -1.238 -2.335 -0.752) 2.748 14.302 ( -2.101 1.940 -2.183) 3.597 14.728 ( -0.608 4.093 0.034) 4.138 14.785 ( -0.698 0.578 4.144) 4.242 15.287 ( 0.024 -0.012 -1.758) 1.759 15.841 ( 2.128 -1.590 -2.151) 3.418 15.852 ( 0.577 -2.842 0.005) 2.899 15.997 ( -2.251 -5.239 -3.251) 6.564 16.089 ( -0.054 2.878 5.614) 6.309 16.577 ( 0.356 -0.643 -2.305) 2.420 16.674 ( 1.781 0.426 -1.097) 2.135 17.007 ( 2.840 -1.373 5.273) 6.144 17.299 ( 2.788 -1.513 -6.419) 7.160 17.432 ( -0.153 -4.123 2.639) 4.897 17.464 ( 1.642 -1.825 0.063) 2.456 17.895 ( 0.879 -3.058 0.121) 3.185 17.948 ( 1.934 -0.420 0.751) 2.117 18.281 ( 4.247 -8.029 -1.631) 9.229 18.570 ( -5.369 8.106 2.334) 9.999 18.672 ( 3.133 1.079 -1.843) 3.792 18.803 ( -1.633 0.828 1.331) 2.263 19.884 ( 3.257 1.491 -1.240) 3.791 19.961 ( 3.593 -3.009 0.964) 4.785 20.291 ( -4.378 0.092 -1.645) 4.678 20.541 ( -0.360 1.508 2.421) 2.875 21.351 ( 9.342 -13.823 -0.731) 16.700 21.444 ( 3.485 -9.674 0.937) 10.325 22.615 ( 2.362 -6.339 1.893) 7.025 23.364 ( -3.143 -1.881 -8.751) 9.487 24.300 ( 0.921 8.627 13.692) 16.210 24.403 ( -9.009 4.900 -7.521) 12.718 25.270 ( -2.376 7.593 0.458) 7.969 25.655 ( -2.360 1.699 -0.662) 2.983 26.261 ( 3.482 2.231 5.103) 6.568 26.342 ( -5.252 2.571 -4.976) 7.678 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 28.488 0.000 0.666) 28.496 0.587 ( 23.346 0.000 -2.129) 23.442 1.045 ( 3.626 0.000 -2.159) 4.220 1.117 ( 5.622 0.000 1.902) 5.935 1.278 ( 48.263 0.000 13.093) 50.007 1.369 ( 12.075 0.000 8.253) 14.626 1.489 ( 0.968 0.000 -3.323) 3.461 1.774 ( 17.443 0.000 -0.374) 17.447 1.903 ( 23.406 0.000 0.824) 23.421 2.072 ( 2.576 0.000 -1.592) 3.028 2.244 ( 0.250 0.000 2.309) 2.323 2.388 ( 0.990 0.000 -1.108) 1.486 2.761 ( 2.850 0.000 1.363) 3.159 2.875 ( 0.659 0.000 1.077) 1.263 2.948 ( 3.240 0.000 3.163) 4.528 3.037 ( 5.524 0.000 13.024) 14.147 3.114 ( -4.343 -0.000 -2.238) 4.885 3.282 ( -2.623 -0.000 -3.117) 4.074 3.287 ( 4.238 0.000 -10.333) 11.169 3.873 ( -6.650 -0.000 8.976) 11.171 3.982 ( -2.948 -0.000 7.176) 7.758 4.098 ( 4.288 0.000 -15.287) 15.877 4.140 ( 3.455 0.000 14.859) 15.256 4.454 ( -8.300 -0.000 -2.420) 8.646 4.624 ( -10.927 -0.000 -9.789) 14.671 4.802 ( -7.258 -0.000 1.084) 7.339 5.010 ( -2.376 -0.000 -4.832) 5.384 5.076 ( -13.691 -0.000 0.260) 13.693 5.169 ( 1.294 0.000 -0.456) 1.372 5.268 ( -7.755 -0.000 -3.624) 8.560 5.425 ( -0.993 -0.000 14.661) 14.695 5.471 ( 2.019 0.000 -7.068) 7.351 5.688 ( 7.403 0.000 -3.595) 8.230 5.998 ( 17.826 0.000 1.060) 17.858 6.087 ( -1.180 -0.000 -8.061) 8.147 6.309 ( 1.333 0.000 -4.453) 4.649 6.314 ( 0.399 0.000 5.641) 5.655 6.377 ( 7.054 0.000 -16.484) 17.930 6.409 ( 2.089 0.000 15.140) 15.283 6.783 ( 2.391 0.000 3.184) 3.982 7.027 ( -0.774 -0.000 -2.683) 2.793 7.356 ( -3.063 -0.000 0.529) 3.108 7.438 ( -9.456 -0.000 9.091) 13.117 7.724 ( 1.168 0.000 11.267) 11.328 7.726 ( -4.295 -0.000 -5.409) 6.907 8.056 ( 3.511 0.000 -2.723) 4.443 8.458 ( 9.897 0.000 2.009) 10.099 8.665 ( -6.947 -0.000 -27.828) 28.683 8.742 ( -8.495 -0.000 -0.450) 8.507 8.936 ( -2.824 -0.000 -1.893) 3.400 8.937 ( -3.729 -0.000 -7.690) 8.546 8.965 ( -6.373 -0.000 -3.196) 7.129 9.280 ( -8.119 -0.000 4.944) 9.506 9.406 ( -10.826 -0.000 -2.347) 11.078 9.534 ( 5.253 0.000 -10.552) 11.787 9.634 ( -2.511 -0.000 0.851) 2.651 9.832 ( -2.818 -0.000 4.749) 5.522 9.925 ( 3.933 0.000 -2.836) 4.849 9.940 ( 11.704 0.000 1.877) 11.853 10.223 ( -2.042 -0.000 0.179) 2.050 10.771 ( -8.658 -0.000 26.270) 27.660 11.511 ( -5.405 -0.000 2.048) 5.780 12.033 ( -7.285 -0.000 27.791) 28.729 12.235 ( 2.827 0.000 -0.517) 2.874 12.584 ( -2.975 -0.000 -2.300) 3.761 12.663 ( 3.890 0.000 0.309) 3.902 13.095 ( -2.613 -0.000 1.260) 2.901 13.147 ( -1.008 -0.000 -2.560) 2.751 14.641 ( -1.468 -0.000 -11.423) 11.517 14.790 ( 5.502 0.000 4.206) 6.926 14.816 ( 3.277 0.000 -3.215) 4.590 15.018 ( 3.537 0.000 -1.145) 3.718 15.218 ( 18.757 0.000 12.851) 22.737 15.235 ( 7.816 0.000 -0.544) 7.834 15.817 ( -6.738 -0.000 -18.383) 19.578 16.049 ( 1.475 0.000 -3.995) 4.258 16.072 ( 6.223 0.000 -1.348) 6.367 16.313 ( 1.079 0.000 5.302) 5.411 16.739 ( 9.762 0.000 18.607) 21.012 16.966 ( 7.229 0.000 -7.051) 10.098 17.430 ( -6.730 -0.000 -5.286) 8.557 17.548 ( -2.613 -0.000 0.278) 2.627 17.711 ( 4.028 0.000 -3.497) 5.334 17.732 ( 5.161 0.000 4.827) 7.066 18.601 ( 10.740 0.000 -19.321) 22.105 18.730 ( -7.105 -0.000 -0.673) 7.137 18.877 ( 4.563 0.000 0.687) 4.615 18.920 ( -4.477 -0.000 6.022) 7.504 19.124 ( 13.963 0.000 -0.474) 13.971 19.304 ( 8.800 0.000 3.677) 9.537 20.400 ( -7.638 -0.000 28.475) 29.482 20.427 ( 0.264 0.000 -2.826) 2.838 20.638 ( -1.479 -0.000 -4.315) 4.561 20.639 ( 6.920 0.000 0.883) 6.976 21.894 ( -4.178 -0.000 53.973) 54.135 23.142 ( -5.700 -0.000 -12.980) 14.177 24.736 ( -7.672 -0.000 9.791) 12.438 25.301 ( -8.177 -0.000 -5.254) 9.719 25.934 ( -5.115 -0.000 1.871) 5.446 26.085 ( -9.863 -0.000 -11.542) 15.182 26.461 ( 5.163 0.000 -0.200) 5.167 26.863 ( -5.336 -0.000 -1.556) 5.558 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 17.009 -4.307 7.051) 18.909 1.032 ( 12.666 -13.792 -0.383) 18.730 1.153 ( 7.283 -8.031 -5.162) 12.008 1.208 ( 3.883 -5.560 0.778) 6.826 1.472 ( 9.899 -1.301 6.824) 12.094 1.614 ( 2.917 -9.032 -4.539) 10.521 1.861 ( 22.208 2.694 19.067) 29.394 2.073 ( 10.499 -4.183 -1.765) 11.438 2.098 ( 21.057 -12.386 -0.877) 24.446 2.199 ( 1.450 2.118 0.660) 2.650 2.353 ( 11.827 -8.914 0.341) 14.814 2.447 ( 11.066 -4.945 0.245) 12.124 2.767 ( 5.339 4.124 1.187) 6.850 2.876 ( -1.530 -0.007 0.486) 1.606 2.940 ( 2.707 3.413 4.842) 6.513 3.063 ( -2.790 -0.359 -3.002) 4.114 3.101 ( 2.152 3.176 10.372) 11.059 3.203 ( 6.173 3.441 -4.577) 8.420 3.323 ( -0.112 2.330 -5.896) 6.341 3.727 ( -1.681 7.831 -5.256) 9.580 3.950 ( -8.390 -0.219 3.508) 9.097 4.137 ( 5.514 0.258 -2.377) 6.010 4.279 ( -3.870 6.497 -2.265) 7.894 4.351 ( 3.757 -8.487 10.520) 14.029 4.531 ( -6.137 -5.593 -11.889) 14.501 4.648 ( -11.049 8.227 3.952) 14.331 4.833 ( -10.383 5.165 -8.939) 14.642 4.974 ( -6.714 0.773 -3.560) 7.638 5.201 ( 3.784 2.195 0.357) 4.390 5.234 ( 2.129 -4.709 -0.423) 5.185 5.458 ( 6.008 -0.445 0.801) 6.077 5.477 ( 6.839 -0.599 -5.901) 9.053 5.781 ( -0.039 -2.417 -1.523) 2.857 6.035 ( 0.736 -0.524 -6.267) 6.332 6.221 ( 8.321 -1.461 -5.843) 10.272 6.311 ( -0.572 -3.077 0.137) 3.133 6.342 ( 0.215 -0.244 8.305) 8.311 6.416 ( 13.676 -1.253 -7.645) 15.717 6.521 ( 1.641 -3.525 16.112) 16.574 6.792 ( 2.184 2.691 1.936) 3.970 6.983 ( -1.369 1.588 -0.458) 2.146 7.289 ( -6.455 2.625 6.910) 9.813 7.365 ( -3.852 -2.432 -1.046) 4.674 7.651 ( -5.067 0.309 -6.278) 8.074 7.838 ( -5.503 -4.338 13.791) 15.469 8.061 ( -0.479 1.120 -6.827) 6.935 8.491 ( -1.614 1.606 2.987) 3.756 8.536 ( -7.360 -0.770 -1.690) 7.591 8.652 ( -4.957 2.806 0.814) 5.754 8.743 ( -7.724 4.786 -9.165) 12.906 8.933 ( -6.462 -0.736 -4.215) 7.750 8.970 ( -3.782 -2.682 -2.644) 5.338 9.107 ( -9.300 5.927 2.134) 11.233 9.268 ( -12.002 5.076 -1.181) 13.085 9.425 ( -5.502 8.818 -1.832) 10.554 9.542 ( 2.877 3.574 -4.999) 6.785 9.912 ( 3.471 -3.391 1.312) 5.027 9.935 ( 8.085 2.277 4.226) 9.403 10.084 ( 4.512 -3.743 0.290) 5.870 10.212 ( 4.179 -1.449 3.140) 5.424 10.763 ( -3.010 0.604 8.696) 9.222 11.308 ( -4.303 14.019 1.193) 14.712 12.014 ( 0.591 -2.456 10.629) 10.925 12.446 ( -4.271 -9.468 -0.801) 10.418 12.581 ( -3.535 -3.475 -1.860) 5.295 12.708 ( 3.261 -1.180 1.111) 3.642 13.071 ( 0.384 -0.120 2.245) 2.281 13.127 ( -1.122 -0.399 -3.340) 3.546 14.551 ( -4.992 2.813 -6.233) 8.467 14.741 ( 0.230 2.190 -0.983) 2.411 15.027 ( -4.537 -10.965 -3.892) 12.489 15.228 ( 0.730 -17.440 -1.064) 17.488 15.249 ( 7.273 4.053 -3.044) 8.865 15.482 ( 17.182 -0.849 11.816) 20.870 15.888 ( 7.749 -7.349 -2.084) 10.881 16.073 ( 2.089 -1.701 -3.911) 4.749 16.203 ( 15.019 -5.924 -2.319) 16.310 16.354 ( 5.129 -2.825 3.344) 6.743 16.780 ( 10.191 6.371 15.628) 19.715 17.020 ( 5.463 2.126 -1.882) 6.157 17.334 ( -4.826 1.419 -5.363) 7.353 17.516 ( -2.291 0.753 0.139) 2.415 17.755 ( 5.215 -0.870 -3.395) 6.283 17.796 ( 5.680 0.605 4.444) 7.237 18.544 ( -0.859 8.725 0.954) 8.819 18.588 ( 4.435 3.298 -8.761) 10.359 18.877 ( -4.659 0.378 -0.667) 4.721 19.004 ( 8.520 1.800 3.454) 9.368 19.345 ( 11.193 -10.857 -1.382) 15.654 19.504 ( 7.112 -9.525 1.795) 12.023 20.294 ( -4.864 3.782 5.007) 7.940 20.490 ( -0.204 -0.253 4.316) 4.328 20.717 ( 6.992 -4.029 0.834) 8.112 20.781 ( 9.735 -7.854 -2.538) 12.763 22.024 ( 7.731 -1.017 28.733) 29.772 23.112 ( -12.326 -8.620 -23.692) 28.064 24.684 ( -8.661 1.734 19.444) 21.356 25.130 ( -12.836 5.055 -7.598) 15.750 25.860 ( -7.699 2.446 2.261) 8.388 25.897 ( -11.932 3.831 -6.594) 14.161 26.463 ( 2.865 4.365 2.589) 5.828 26.744 ( -7.629 4.615 -3.502) 9.579 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.187 -24.740 11.590) 27.321 1.287 ( 0.030 -11.346 2.203) 11.558 1.347 ( 2.670 -7.199 -2.537) 8.086 1.475 ( 6.506 -10.485 4.634) 13.180 1.661 ( 8.524 -10.153 -12.498) 18.219 1.772 ( -1.261 -6.967 -2.068) 7.376 1.984 ( 2.499 0.026 -1.591) 2.963 2.126 ( -0.936 5.260 3.852) 6.586 2.188 ( 6.655 -0.644 5.891) 8.911 2.274 ( -0.127 0.127 -3.401) 3.406 2.478 ( 0.592 5.630 -1.113) 5.769 2.661 ( 9.952 7.352 8.092) 14.784 2.733 ( 6.675 7.445 2.005) 10.199 2.809 ( -5.291 1.765 -3.131) 6.396 2.966 ( 3.203 0.545 7.868) 8.512 3.018 ( -3.097 4.093 7.690) 9.245 3.071 ( -0.867 -0.939 1.801) 2.209 3.185 ( 1.486 3.400 0.576) 3.755 3.268 ( 11.062 5.406 -3.642) 12.840 3.553 ( -3.037 7.349 -8.894) 11.930 3.935 ( -1.888 -1.706 -4.545) 5.208 4.073 ( -5.771 9.960 -5.613) 12.807 4.221 ( 11.861 -4.760 0.897) 12.812 4.384 ( -6.175 8.579 2.307) 10.819 4.421 ( -8.087 4.732 -1.228) 9.449 4.660 ( 6.518 -12.999 10.778) 18.100 4.859 ( 9.602 -12.221 -8.830) 17.875 4.960 ( 1.276 -4.943 -5.859) 7.771 5.163 ( 6.014 3.580 -5.241) 8.744 5.417 ( 4.723 -6.705 3.043) 8.748 5.584 ( 12.199 -2.237 -7.563) 14.527 5.607 ( 7.804 -5.738 -0.049) 9.686 5.758 ( -2.181 0.132 -4.467) 4.973 6.036 ( -2.227 -1.312 -0.842) 2.719 6.212 ( 2.461 3.707 -2.517) 5.112 6.356 ( 0.408 2.176 10.500) 10.731 6.395 ( 0.312 -2.093 1.961) 2.885 6.600 ( 6.419 -1.396 5.081) 8.305 6.635 ( 2.562 -5.847 -4.655) 7.901 6.755 ( 1.201 0.243 0.388) 1.285 6.990 ( 1.750 -1.243 2.672) 3.427 7.191 ( -8.819 0.798 3.687) 9.592 7.399 ( -3.201 -4.362 -2.546) 5.979 7.603 ( -1.657 -1.353 -4.774) 5.231 7.835 ( -9.469 -1.363 13.071) 16.198 7.968 ( -8.318 1.127 -5.572) 10.075 8.362 ( -7.833 6.319 0.402) 10.072 8.466 ( 4.620 8.131 1.236) 9.433 8.544 ( -12.873 1.228 -3.486) 13.393 8.588 ( -7.658 0.668 -1.604) 7.852 8.824 ( -5.804 5.861 3.463) 8.946 8.860 ( -7.576 4.302 -0.028) 8.713 9.001 ( -4.547 0.534 -2.054) 5.018 9.071 ( -7.924 1.221 -4.446) 9.168 9.164 ( -8.577 10.561 2.228) 13.786 9.504 ( 2.108 3.757 -2.715) 5.092 9.986 ( 2.622 -3.555 -5.504) 7.058 10.044 ( 11.362 0.102 3.859) 12.000 10.200 ( 1.429 -4.145 4.249) 6.106 10.342 ( 4.773 -5.094 3.640) 7.873 10.732 ( -0.366 2.694 3.101) 4.124 11.054 ( -0.897 9.504 -1.457) 9.657 12.107 ( -0.040 -3.918 5.856) 7.046 12.496 ( -0.032 -1.844 -3.675) 4.112 12.592 ( -2.050 -1.342 -2.050) 3.195 12.774 ( 1.580 -1.818 3.482) 4.233 13.126 ( -0.872 -1.625 -2.444) 3.061 13.144 ( 2.586 -4.794 1.396) 5.623 14.417 ( -5.299 3.709 -5.050) 8.206 14.718 ( -3.535 -1.234 -0.662) 3.802 14.924 ( -17.606 0.163 -11.314) 20.929 15.318 ( 7.824 1.851 8.024) 11.359 15.559 ( 3.692 -14.364 -0.535) 14.841 15.699 ( 14.034 -1.213 8.278) 16.339 15.978 ( 3.921 1.639 4.083) 5.893 16.119 ( 2.610 -1.430 -0.334) 2.994 16.430 ( 8.251 -5.681 -4.507) 10.985 16.754 ( 12.231 -13.932 -3.133) 18.802 16.829 ( 14.531 -2.454 5.692) 15.798 17.036 ( 5.820 2.208 6.375) 8.910 17.289 ( 1.539 -1.256 -3.359) 3.902 17.474 ( -2.264 1.211 0.077) 2.568 17.829 ( 5.093 -2.276 -1.674) 5.824 17.856 ( 6.323 0.797 3.132) 7.100 18.350 ( -4.789 7.039 -4.888) 9.817 18.608 ( 3.227 0.122 1.363) 3.506 18.801 ( 1.447 4.415 -2.653) 5.350 19.007 ( 3.470 6.159 3.654) 7.958 19.678 ( 5.044 -14.991 -1.713) 15.909 19.749 ( 1.755 -10.938 1.364) 11.162 20.184 ( -6.425 2.883 -2.041) 7.332 20.476 ( -8.034 -1.743 3.994) 9.140 20.961 ( 22.192 -6.629 2.633) 23.310 21.085 ( 21.941 -8.978 -3.197) 23.921 22.267 ( 10.647 -7.140 16.162) 20.629 23.081 ( -10.377 -10.667 -25.710) 29.706 24.599 ( -7.312 5.983 24.259) 26.034 24.803 ( -17.157 10.948 -9.400) 22.418 25.680 ( -7.188 8.881 3.100) 11.838 25.707 ( -12.372 1.704 -4.160) 13.163 26.401 ( 1.030 5.080 2.998) 5.988 26.537 ( -8.791 6.873 -5.152) 12.291 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -6.179 12.497 -0.899) 13.970 1.438 ( -1.841 -2.068 -1.952) 3.387 1.454 ( -9.211 -1.168 4.632) 10.376 1.516 ( -4.193 -8.900 7.745) 12.521 1.768 ( -3.559 -0.050 -3.266) 4.830 1.891 ( -3.875 0.964 -4.393) 5.937 1.924 ( 2.161 -8.864 -18.899) 20.986 2.055 ( -0.170 0.351 -6.528) 6.540 2.118 ( -5.243 0.679 -3.732) 6.471 2.349 ( 4.196 -5.093 12.626) 14.247 2.459 ( -5.166 -9.934 -2.758) 11.531 2.599 ( -3.925 -2.451 4.192) 6.244 2.666 ( 2.258 6.929 10.513) 12.791 2.738 ( 1.610 3.310 -3.416) 5.022 2.917 ( -4.311 4.232 6.051) 8.550 3.018 ( -0.418 0.994 7.499) 7.576 3.078 ( -1.295 0.018 2.769) 3.057 3.164 ( 3.081 1.718 3.597) 5.038 3.311 ( 13.926 6.056 1.633) 15.273 3.336 ( -3.743 8.557 -6.934) 11.633 3.696 ( -17.904 10.048 -1.272) 20.570 3.824 ( -4.045 8.604 -10.766) 14.363 4.169 ( -0.251 4.070 0.431) 4.101 4.396 ( 3.087 -0.658 0.111) 3.158 4.631 ( 21.425 -7.436 0.994) 22.701 4.958 ( 6.677 0.587 -0.338) 6.711 5.099 ( 7.343 -8.287 -4.816) 12.074 5.108 ( 9.926 -8.349 4.469) 13.719 5.310 ( 16.972 -8.259 -8.343) 20.637 5.554 ( 0.474 -4.228 -0.822) 4.333 5.678 ( -0.562 -3.719 1.255) 3.965 5.719 ( 4.833 -2.435 -6.135) 8.181 5.807 ( 5.777 1.535 1.506) 6.164 6.033 ( -0.377 1.419 -0.046) 1.469 6.146 ( 1.147 5.205 4.191) 6.781 6.330 ( 2.953 3.578 2.982) 5.515 6.405 ( -3.077 -1.818 2.941) 4.628 6.597 ( 0.930 1.168 -0.503) 1.576 6.727 ( -2.487 -2.011 -6.576) 7.313 6.818 ( 1.097 -3.235 -0.573) 3.463 7.020 ( 0.551 2.621 3.195) 4.169 7.168 ( -3.883 -7.230 1.697) 8.380 7.381 ( -5.062 0.861 -1.593) 5.376 7.629 ( 3.377 -1.071 -3.269) 4.821 7.823 ( -8.523 -2.637 14.188) 16.760 7.887 ( -8.483 -6.670 -6.043) 12.368 8.206 ( -6.512 1.597 0.607) 6.733 8.304 ( -3.430 6.919 -5.850) 9.688 8.410 ( -5.110 5.148 0.099) 7.254 8.475 ( -1.135 3.924 1.024) 4.212 8.650 ( -7.565 3.405 3.235) 8.905 8.741 ( -1.530 8.281 -1.688) 8.589 8.917 ( -6.537 1.324 3.397) 7.485 8.960 ( -5.069 0.379 -1.800) 5.392 9.034 ( -4.400 -2.355 -1.795) 5.304 9.429 ( 1.134 5.639 -0.524) 5.775 10.059 ( 1.541 -3.784 -5.824) 7.114 10.149 ( 6.971 0.237 -0.249) 6.980 10.266 ( 0.615 -0.767 4.021) 4.140 10.446 ( -0.918 -0.836 7.586) 7.687 10.711 ( 3.304 0.545 -1.749) 3.778 10.952 ( 0.026 2.121 -1.497) 2.597 12.185 ( 0.269 -3.374 2.952) 4.491 12.501 ( -1.209 1.521 1.206) 2.287 12.604 ( 2.314 -2.802 -7.590) 8.415 12.817 ( 2.832 1.071 5.385) 6.178 13.144 ( -1.178 -1.791 -1.430) 2.577 13.266 ( 3.078 -4.578 0.252) 5.523 14.304 ( -2.790 1.939 -4.059) 5.293 14.655 ( -11.500 -1.648 -12.223) 16.863 14.769 ( -7.097 -0.059 6.578) 9.677 15.330 ( 0.842 3.133 6.658) 7.406 15.781 ( 1.816 -6.154 1.585) 6.609 15.844 ( 9.419 -0.928 0.287) 9.469 16.014 ( 6.113 1.741 4.177) 7.606 16.174 ( 4.505 -0.266 0.441) 4.535 16.554 ( 3.349 -2.168 -5.327) 6.656 16.749 ( 4.157 5.083 -0.471) 6.583 17.075 ( 3.775 1.942 8.621) 9.610 17.260 ( 12.639 -9.542 -9.898) 18.675 17.362 ( 0.194 -2.119 5.201) 5.619 17.469 ( 3.280 -1.885 0.390) 3.803 17.894 ( 3.395 -0.084 1.553) 3.734 17.956 ( 5.155 -2.698 1.378) 5.979 18.222 ( 0.099 -0.447 -3.979) 4.005 18.588 ( -7.657 1.540 4.031) 8.789 18.780 ( 9.592 4.302 -2.405) 10.784 18.896 ( 0.731 7.830 1.121) 7.944 19.872 ( -1.837 -3.822 -0.212) 4.246 19.940 ( -1.239 -9.149 1.357) 9.332 20.073 ( -9.531 -2.627 -4.006) 10.667 20.408 ( -14.132 -3.069 2.523) 14.680 21.397 ( 29.805 -8.466 0.591) 30.990 21.507 ( 27.580 -6.854 -1.151) 28.442 22.541 ( 8.057 -7.240 4.582) 11.762 23.150 ( -5.443 -12.382 -11.541) 17.780 24.362 ( -18.559 10.580 -10.346) 23.736 24.483 ( -5.043 7.349 18.650) 20.670 25.417 ( -6.204 11.827 1.461) 13.435 25.594 ( -8.202 -1.659 0.305) 8.374 26.304 ( -8.953 3.433 -7.267) 12.031 26.357 ( 1.369 4.205 3.854) 5.866 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 2.595 -1.603 -2.655) 4.043 1.106 ( -1.235 5.304 1.238) 5.584 1.565 ( -10.319 -7.292 -14.965) 19.586 1.622 ( -7.507 -4.192 -8.477) 12.074 1.723 ( -1.569 -3.729 0.554) 4.083 1.856 ( -3.148 7.213 -1.353) 7.986 1.874 ( 1.382 0.117 3.653) 3.908 2.096 ( -6.587 -5.496 6.041) 10.492 2.196 ( 2.056 -8.764 -18.669) 20.726 2.433 ( 1.680 5.934 1.264) 6.295 2.513 ( -14.853 -3.450 -1.357) 15.309 2.559 ( -22.055 -0.931 2.789) 22.250 2.642 ( -5.280 8.018 -7.947) 12.463 2.679 ( 1.271 -3.701 14.250) 14.778 2.808 ( -3.131 1.381 -0.162) 3.426 2.978 ( -4.011 0.641 2.638) 4.843 3.064 ( -0.872 0.053 1.444) 1.688 3.187 ( -0.579 -0.723 4.575) 4.668 3.242 ( 6.244 -0.723 3.913) 7.404 3.354 ( 10.814 5.216 7.966) 14.409 3.518 ( 1.751 -1.722 1.523) 2.890 3.665 ( -0.997 -1.533 -5.194) 5.507 4.155 ( 1.267 0.016 -3.387) 3.616 4.418 ( 2.577 1.055 -3.923) 4.811 4.711 ( -1.070 10.222 -1.131) 10.340 4.993 ( 11.871 3.693 1.440) 12.516 5.228 ( 8.357 0.502 -3.125) 8.936 5.334 ( 1.452 3.478 -1.029) 3.907 5.506 ( 16.186 2.237 1.921) 16.452 5.584 ( -1.390 0.731 -2.857) 3.260 5.711 ( -1.044 3.708 5.622) 6.815 5.811 ( 1.584 -1.407 1.664) 2.694 5.850 ( 4.397 -8.973 2.216) 10.235 5.931 ( -2.464 5.676 -0.982) 6.266 6.049 ( 3.094 7.590 -4.200) 9.210 6.349 ( 2.800 1.282 -3.951) 5.010 6.434 ( 1.012 -0.818 0.933) 1.601 6.577 ( -2.986 1.486 -0.543) 3.379 6.661 ( -3.707 -1.399 -5.481) 6.763 6.885 ( -0.561 -0.596 1.566) 1.767 6.968 ( -1.601 -2.572 1.116) 3.228 7.275 ( -7.832 -0.838 2.017) 8.130 7.348 ( 5.023 -5.872 3.140) 8.341 7.679 ( 6.419 0.693 -0.585) 6.482 7.832 ( -11.701 -5.826 7.641) 15.141 7.935 ( -2.189 -4.075 -7.460) 8.778 8.148 ( -4.927 -0.166 0.222) 4.935 8.249 ( -2.944 0.301 1.985) 3.563 8.293 ( 2.039 -5.319 -5.250) 7.747 8.452 ( -0.949 -1.305 0.326) 1.646 8.580 ( 3.455 3.559 0.984) 5.057 8.598 ( 0.551 2.584 0.094) 2.644 8.902 ( -1.973 -3.167 0.892) 3.836 8.947 ( -2.614 -3.620 0.105) 4.466 9.042 ( -4.609 -3.131 0.285) 5.579 9.336 ( -1.169 4.229 0.201) 4.392 10.099 ( 2.100 0.491 -6.373) 6.728 10.177 ( 1.855 1.234 -0.523) 2.289 10.287 ( -0.965 -1.855 1.880) 2.812 10.426 ( -1.540 2.194 5.521) 6.138 10.716 ( 0.030 2.409 -2.405) 3.404 10.932 ( -0.011 0.539 0.270) 0.603 12.249 ( 1.213 -1.654 0.964) 2.267 12.437 ( -3.090 2.254 0.948) 3.940 12.674 ( 2.999 -3.176 -6.440) 7.782 12.826 ( 3.767 3.608 7.337) 9.003 13.143 ( -1.710 -0.124 -2.339) 2.900 13.357 ( 3.191 -1.766 -0.163) 3.651 14.291 ( 2.136 -2.116 -1.501) 3.360 14.569 ( -8.686 -5.525 -8.716) 13.489 14.737 ( -5.815 -1.157 2.965) 6.629 15.311 ( -1.188 0.542 7.967) 8.073 15.823 ( 0.623 1.549 1.429) 2.198 15.936 ( 4.793 1.442 -0.984) 5.101 16.054 ( 4.737 -0.393 -0.101) 4.755 16.212 ( 8.090 3.828 1.518) 9.078 16.579 ( 2.428 -0.147 -3.037) 3.891 16.702 ( 1.907 4.094 0.317) 4.528 17.050 ( -0.566 5.741 1.112) 5.875 17.322 ( 0.430 0.656 4.403) 4.472 17.443 ( -0.399 1.502 -4.783) 5.029 17.518 ( 3.813 -0.437 3.996) 5.541 17.935 ( -0.053 -0.015 -1.118) 1.119 17.961 ( 2.933 2.509 -0.336) 3.874 18.354 ( -1.470 -0.587 -0.728) 1.743 18.481 ( 0.468 -3.466 1.253) 3.715 18.681 ( -3.088 7.439 3.458) 8.766 18.881 ( 9.247 2.621 -3.440) 10.208 19.812 ( -9.619 0.847 1.928) 9.847 19.985 ( -1.858 3.322 -2.459) 4.532 20.118 ( -8.695 -12.197 0.331) 14.983 20.358 ( -12.415 -7.858 -0.847) 14.717 21.689 ( 18.705 12.759 0.016) 22.642 21.739 ( 20.402 9.195 -0.120) 22.379 22.673 ( 3.261 0.123 -2.165) 3.916 23.319 ( -0.354 -10.287 5.588) 11.712 24.080 ( -11.207 -3.292 -13.783) 18.067 24.427 ( -0.339 -1.182 11.612) 11.677 25.227 ( -1.833 2.565 -0.045) 3.153 25.591 ( -3.559 -4.292 2.060) 5.944 26.167 ( -6.688 -0.732 -6.870) 9.616 26.362 ( 2.554 -0.713 3.633) 4.497 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -9.922 -3.861 -24.024) 26.277 1.388 ( 2.128 -7.536 -3.986) 8.787 1.475 ( 8.453 -22.675 -2.176) 24.297 1.644 ( -7.390 9.134 -1.631) 11.862 1.723 ( -0.261 -7.342 -0.913) 7.403 1.786 ( -1.221 -1.732 0.705) 2.233 1.870 ( 0.829 -1.214 -1.252) 1.930 2.032 ( -18.563 4.323 -4.908) 19.681 2.171 ( -15.293 4.593 14.992) 21.903 2.257 ( -15.434 5.306 6.173) 17.449 2.319 ( -0.384 8.759 -15.839) 18.104 2.348 ( 0.581 4.929 5.323) 7.277 2.432 ( -3.295 -3.500 -11.247) 12.231 2.794 ( -0.379 -3.526 1.918) 4.032 2.822 ( 0.914 -4.002 -5.538) 6.894 2.939 ( -2.768 0.674 8.074) 8.562 3.053 ( -2.059 0.371 1.961) 2.868 3.170 ( -0.917 1.722 -1.658) 2.560 3.411 ( 9.748 -1.932 7.360) 12.366 3.439 ( 9.366 3.982 11.553) 15.396 3.671 ( 0.705 -13.537 -1.902) 13.688 3.880 ( -1.706 -19.076 -0.057) 19.153 4.174 ( 0.925 -5.056 -3.833) 6.412 4.393 ( 1.749 2.213 -5.379) 6.074 4.439 ( -2.624 15.280 0.926) 15.532 4.884 ( -0.149 15.804 -0.578) 15.815 5.130 ( -2.407 12.008 8.120) 14.694 5.242 ( 0.989 3.411 -8.108) 8.852 5.491 ( 6.061 8.820 -2.363) 10.959 5.511 ( -4.158 8.270 4.853) 10.451 5.584 ( 5.016 11.179 7.079) 14.151 5.808 ( 0.771 6.815 1.552) 7.032 5.877 ( 2.737 3.757 -1.378) 4.848 5.937 ( -2.141 0.111 -0.125) 2.147 6.065 ( 6.140 -6.669 -8.891) 12.697 6.262 ( 0.117 4.570 -3.824) 5.960 6.466 ( 0.927 -1.196 -0.120) 1.518 6.563 ( -3.473 -5.248 -0.806) 6.344 6.643 ( -1.304 2.478 -1.832) 3.346 6.856 ( -4.347 -0.032 -2.820) 5.182 6.993 ( 2.586 5.426 4.874) 7.738 7.275 ( -3.928 -6.850 3.228) 8.530 7.524 ( 4.726 -4.295 7.204) 9.627 7.708 ( 5.712 4.222 -0.150) 7.104 7.837 ( -8.928 -7.380 -0.258) 11.586 7.973 ( 2.578 -4.036 -10.928) 11.932 8.123 ( -3.989 -3.063 5.279) 7.291 8.263 ( -3.154 -7.257 -2.347) 8.253 8.502 ( 5.828 -5.942 -1.662) 8.487 8.570 ( 4.785 -8.973 0.610) 10.188 8.587 ( 7.109 -3.418 2.116) 8.167 8.677 ( 0.968 -7.357 -1.259) 7.527 8.972 ( -1.866 -3.242 -0.533) 3.778 8.996 ( -2.017 -5.596 -0.803) 6.003 9.061 ( -1.653 -2.755 1.705) 3.637 9.296 ( -1.137 -2.688 2.362) 3.754 10.033 ( -0.729 5.304 -4.706) 7.128 10.134 ( 1.349 5.886 0.361) 6.049 10.328 ( -1.798 -1.511 1.653) 2.872 10.410 ( 0.611 -1.546 -1.547) 2.270 10.616 ( -3.089 4.020 -1.141) 5.197 10.899 ( -1.657 3.210 1.243) 3.820 12.243 ( 0.654 3.501 -0.302) 3.574 12.403 ( -2.703 -1.848 0.318) 3.289 12.727 ( 1.397 -1.919 -3.728) 4.420 12.826 ( 4.964 3.510 7.740) 9.843 13.096 ( -2.819 1.621 -4.331) 5.416 13.390 ( 2.907 1.704 0.530) 3.411 14.399 ( 5.499 -4.250 2.858) 7.515 14.603 ( -6.317 -6.953 -6.621) 11.493 14.733 ( -3.404 -6.208 -4.812) 8.561 15.327 ( -1.096 -0.002 9.819) 9.880 15.780 ( -1.992 2.398 0.870) 3.237 15.874 ( 0.633 7.194 0.853) 7.272 16.116 ( 6.297 0.582 -5.529) 8.400 16.220 ( 10.709 6.874 4.181) 13.395 16.589 ( 1.337 5.194 2.048) 5.741 16.637 ( -1.944 0.715 1.350) 2.473 16.900 ( -3.823 6.091 -6.159) 9.468 17.204 ( -8.924 9.750 4.575) 13.986 17.420 ( 0.857 -0.701 0.754) 1.340 17.525 ( 5.857 7.097 -1.507) 9.324 17.840 ( -7.441 6.993 -0.219) 10.213 17.891 ( -0.222 6.477 0.759) 6.525 18.294 ( 4.088 -1.408 2.432) 4.960 18.536 ( -4.825 2.107 -0.349) 5.277 18.703 ( 2.129 -9.052 1.818) 9.475 18.882 ( 6.891 5.455 -4.042) 9.674 19.705 ( -13.261 -1.060 3.346) 13.717 19.855 ( -5.081 4.972 -2.312) 7.476 20.223 ( -9.034 -9.289 -1.180) 13.011 20.430 ( -4.049 -9.062 -1.089) 9.985 21.349 ( 5.466 32.716 0.614) 33.176 21.556 ( 9.242 26.843 -0.983) 28.407 22.551 ( -1.988 12.883 -3.798) 13.578 23.551 ( 6.319 -7.377 20.223) 22.434 24.112 ( -5.398 -11.939 -21.491) 25.171 24.636 ( 6.877 -14.458 6.937) 17.449 25.316 ( 2.177 -11.062 -0.569) 11.288 25.685 ( -0.050 -7.757 1.603) 7.922 26.152 ( -3.342 -4.656 -4.843) 7.503 26.454 ( 2.929 -5.100 2.699) 6.471 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -18.691 5.641 -20.031) 27.971 1.265 ( -20.098 12.109 -5.863) 24.186 1.428 ( 0.886 8.011 1.246) 8.155 1.546 ( -2.110 11.431 0.593) 11.640 1.635 ( 0.716 15.856 -14.953) 21.806 1.745 ( -5.771 9.905 9.563) 14.928 1.817 ( -12.948 7.407 1.444) 14.987 1.973 ( -0.881 -1.608 -0.707) 1.965 2.105 ( 2.071 -12.559 0.368) 12.734 2.163 ( 0.945 -0.714 5.677) 5.799 2.292 ( 1.563 0.520 -2.942) 3.371 2.446 ( 4.529 -8.954 3.224) 10.540 2.480 ( -1.566 -6.727 -3.908) 7.936 2.782 ( -2.364 1.726 -2.826) 4.068 2.890 ( 2.129 -2.697 -5.529) 6.510 2.967 ( -4.966 -3.324 6.271) 8.662 3.057 ( 2.844 -2.045 1.143) 3.684 3.133 ( -1.672 0.020 -1.474) 2.229 3.374 ( 5.720 8.933 1.664) 10.737 3.574 ( 0.120 -3.250 11.243) 11.704 3.778 ( -2.109 -1.977 -7.115) 7.680 4.144 ( -1.238 -2.320 1.228) 2.902 4.178 ( -0.047 3.968 -0.648) 4.021 4.422 ( 3.428 -14.471 0.223) 14.873 4.453 ( 3.127 -7.577 3.299) 8.836 4.591 ( -5.531 1.986 -7.845) 9.802 4.980 ( 4.664 6.964 8.497) 11.935 5.148 ( -1.593 3.491 -4.556) 5.957 5.246 ( -14.078 7.668 3.701) 16.452 5.415 ( 7.615 8.803 -1.074) 11.689 5.419 ( 8.459 17.113 0.859) 19.109 5.611 ( -5.229 9.685 -0.606) 11.023 5.851 ( 4.948 0.832 -2.635) 5.667 5.951 ( -5.099 -2.326 2.170) 6.010 6.171 ( 3.837 -2.354 -7.079) 8.389 6.224 ( 4.110 2.901 2.073) 5.441 6.421 ( -5.083 6.616 1.097) 8.415 6.544 ( -3.783 -0.519 -4.131) 5.625 6.674 ( 2.695 2.760 1.149) 4.025 6.740 ( -1.136 1.068 0.232) 1.576 6.932 ( -1.630 3.125 0.901) 3.638 7.353 ( -1.342 -1.928 2.335) 3.312 7.600 ( 2.534 3.755 3.789) 5.905 7.659 ( 1.689 1.789 -0.866) 2.609 7.951 ( -3.869 -11.388 0.916) 12.062 8.044 ( 6.753 -0.897 -9.310) 11.536 8.198 ( -4.947 -8.141 4.625) 10.590 8.401 ( 3.855 -5.227 -1.741) 6.724 8.607 ( 0.900 -1.804 0.058) 2.017 8.755 ( 7.521 -10.427 -0.931) 12.890 8.826 ( -0.907 -10.029 -1.077) 10.127 8.868 ( 2.274 -11.246 5.267) 12.625 8.995 ( 0.861 -5.576 -4.061) 6.952 9.085 ( -4.072 -4.782 0.572) 6.307 9.133 ( -0.574 -8.620 0.674) 8.665 9.430 ( 2.377 -8.608 3.202) 9.487 9.888 ( -2.927 7.478 -1.744) 8.218 9.986 ( 0.394 11.187 -0.485) 11.204 10.302 ( -1.009 2.258 0.887) 2.628 10.366 ( 0.031 6.817 -3.021) 7.456 10.662 ( 2.533 -9.309 -2.234) 9.903 10.801 ( -5.345 2.451 2.215) 6.283 12.168 ( 0.008 4.582 -0.643) 4.627 12.434 ( -1.010 -3.611 -0.035) 3.750 12.760 ( 1.008 -1.479 -1.650) 2.434 12.853 ( 6.022 2.507 6.214) 9.009 13.004 ( -4.685 2.424 -4.976) 7.251 13.366 ( 2.504 4.091 0.999) 4.899 14.522 ( 1.308 -2.190 4.535) 5.203 14.637 ( -1.490 -6.309 -4.647) 7.976 14.841 ( -1.942 -7.438 -7.260) 10.573 15.322 ( -0.373 2.897 5.589) 6.306 15.709 ( -0.123 9.797 1.610) 9.929 15.728 ( -1.862 3.166 1.112) 3.838 16.119 ( 5.654 3.547 -7.015) 9.683 16.218 ( 7.949 6.400 9.348) 13.840 16.383 ( -1.475 15.358 2.238) 15.590 16.570 ( -8.248 12.232 -6.067) 15.952 16.775 ( -3.935 -3.169 2.121) 5.479 16.861 ( -3.961 18.805 -2.029) 19.324 17.388 ( 3.830 3.330 -1.089) 5.191 17.481 ( -1.108 -1.341 0.742) 1.891 17.685 ( -3.438 2.333 0.488) 4.183 17.806 ( -0.764 3.738 1.069) 3.963 18.356 ( -0.404 1.259 0.489) 1.410 18.553 ( 2.366 -6.141 7.290) 9.821 18.821 ( 2.789 2.780 -4.732) 6.156 18.845 ( -0.315 -3.627 -1.837) 4.078 19.565 ( -9.964 4.753 1.577) 11.152 19.702 ( -4.480 6.580 -0.495) 7.976 20.263 ( -6.893 -5.684 -2.228) 9.208 20.547 ( -0.447 -5.873 -0.010) 5.890 20.835 ( 1.487 25.219 0.856) 25.277 21.105 ( 4.252 27.171 -1.875) 27.565 22.234 ( -2.639 16.279 -3.586) 16.877 23.753 ( 7.684 2.108 22.498) 23.867 24.248 ( -2.639 -16.531 -21.595) 27.323 25.018 ( 5.806 -16.040 3.269) 17.369 25.586 ( 1.795 -15.216 -0.264) 15.323 25.866 ( 2.158 -9.802 1.657) 10.173 26.207 ( -1.608 -5.007 -2.758) 5.938 26.606 ( 2.027 -7.802 1.251) 8.158 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 14.388 0.000) 14.388 0.938 ( 0.000 10.294 0.000) 10.294 1.211 ( 0.000 25.347 0.000) 25.347 1.274 ( 0.000 9.289 0.000) 9.289 1.332 ( 0.000 10.855 0.000) 10.855 1.455 ( 0.000 24.358 0.000) 24.358 1.596 ( 0.000 4.420 0.000) 4.420 1.974 ( 0.000 19.375 0.000) 19.375 2.082 ( -0.000 -6.628 -0.000) 6.628 2.152 ( 0.000 3.922 0.000) 3.922 2.258 ( 0.000 7.270 0.000) 7.270 2.509 ( 0.000 6.237 0.000) 6.237 2.553 ( -0.000 -3.100 -0.000) 3.100 2.733 ( 0.000 0.577 0.000) 0.577 2.924 ( -0.000 -0.413 -0.000) 0.413 2.975 ( -0.000 -0.696 -0.000) 0.696 3.100 ( -0.000 -0.082 -0.000) 0.082 3.168 ( -0.000 -2.279 -0.000) 2.279 3.360 ( -0.000 -4.296 -0.000) 4.296 3.631 ( -0.000 -3.421 -0.000) 3.421 3.821 ( -0.000 -8.200 -0.000) 8.200 4.152 ( 0.000 4.627 0.000) 4.627 4.199 ( -0.000 -12.217 -0.000) 12.217 4.399 ( 0.000 3.831 0.000) 3.831 4.722 ( -0.000 -9.996 -0.000) 9.996 4.817 ( -0.000 -12.218 -0.000) 12.218 5.012 ( 0.000 4.659 0.000) 4.659 5.023 ( 0.000 0.991 0.000) 0.991 5.123 ( -0.000 -7.479 -0.000) 7.479 5.226 ( 0.000 6.558 0.000) 6.558 5.357 ( 0.000 2.499 0.000) 2.499 5.427 ( 0.000 5.518 0.000) 5.518 5.882 ( 0.000 1.675 0.000) 1.675 5.914 ( 0.000 1.033 0.000) 1.033 6.138 ( 0.000 13.087 0.000) 13.087 6.221 ( 0.000 0.474 0.000) 0.474 6.274 ( -0.000 -0.934 -0.000) 0.934 6.493 ( 0.000 10.810 0.000) 10.810 6.497 ( 0.000 3.528 0.000) 3.528 6.847 ( 0.000 3.787 0.000) 3.787 6.874 ( -0.000 -7.368 -0.000) 7.368 7.317 ( 0.000 3.953 0.000) 3.953 7.500 ( 0.000 6.604 0.000) 6.604 7.709 ( -0.000 -3.930 -0.000) 3.930 8.061 ( 0.000 1.992 0.000) 1.992 8.116 ( -0.000 -8.528 -0.000) 8.528 8.314 ( -0.000 -6.327 -0.000) 6.327 8.401 ( 0.000 7.909 0.000) 7.909 8.614 ( -0.000 -1.708 -0.000) 1.708 9.010 ( -0.000 -10.283 -0.000) 10.283 9.040 ( -0.000 -13.784 -0.000) 13.784 9.072 ( -0.000 -1.624 -0.000) 1.624 9.079 ( -0.000 -11.268 -0.000) 11.268 9.252 ( -0.000 -14.353 -0.000) 14.353 9.271 ( -0.000 -7.023 -0.000) 7.023 9.626 ( -0.000 -10.432 -0.000) 10.432 9.675 ( 0.000 13.778 0.000) 13.778 9.803 ( 0.000 7.897 0.000) 7.897 10.224 ( 0.000 8.152 0.000) 8.152 10.231 ( 0.000 5.263 0.000) 5.263 10.708 ( 0.000 0.482 0.000) 0.482 10.956 ( -0.000 -17.977 -0.000) 17.977 12.078 ( 0.000 5.705 0.000) 5.705 12.507 ( -0.000 -4.797 -0.000) 4.797 12.790 ( -0.000 -1.002 -0.000) 1.002 12.818 ( 0.000 7.523 0.000) 7.523 12.965 ( -0.000 -3.760 -0.000) 3.760 13.302 ( 0.000 4.980 0.000) 4.980 14.553 ( -0.000 -1.910 -0.000) 1.910 14.761 ( -0.000 -6.637 -0.000) 6.637 14.861 ( 0.000 1.620 0.000) 1.620 15.242 ( 0.000 6.038 0.000) 6.038 15.474 ( 0.000 14.463 0.000) 14.463 15.610 ( 0.000 19.704 0.000) 19.704 16.014 ( 0.000 13.163 0.000) 13.163 16.084 ( 0.000 3.287 0.000) 3.287 16.202 ( 0.000 3.380 0.000) 3.380 16.267 ( 0.000 7.434 0.000) 7.434 16.538 ( 0.000 13.544 0.000) 13.544 16.883 ( -0.000 -6.740 -0.000) 6.740 17.446 ( -0.000 -5.284 -0.000) 5.284 17.502 ( -0.000 -1.697 -0.000) 1.697 17.638 ( 0.000 1.425 0.000) 1.425 17.744 ( 0.000 2.954 0.000) 2.954 18.300 ( 0.000 3.405 0.000) 3.405 18.729 ( -0.000 -6.316 -0.000) 6.316 18.791 ( -0.000 -1.881 -0.000) 1.881 18.879 ( -0.000 -0.415 -0.000) 0.415 19.344 ( 0.000 12.844 0.000) 12.844 19.531 ( 0.000 9.083 0.000) 9.083 20.302 ( -0.000 -3.635 -0.000) 3.635 20.531 ( 0.000 9.248 0.000) 9.248 20.628 ( -0.000 -3.052 -0.000) 3.052 20.747 ( 0.000 14.688 0.000) 14.688 21.949 ( 0.000 12.710 0.000) 12.710 23.773 ( 0.000 3.122 0.000) 3.122 24.502 ( -0.000 -15.200 -0.000) 15.200 25.282 ( -0.000 -9.044 -0.000) 9.044 25.853 ( -0.000 -12.644 -0.000) 12.644 26.049 ( -0.000 -7.849 -0.000) 7.849 26.268 ( -0.000 -3.395 -0.000) 3.395 26.761 ( -0.000 -7.684 -0.000) 7.684 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 18.783 0.000 -10.109) 21.330 1.108 ( 16.351 0.000 -4.673) 17.005 1.153 ( 12.693 0.000 0.148) 12.694 1.188 ( 3.407 0.000 -0.045) 3.408 1.543 ( 6.713 0.000 -0.452) 6.728 1.741 ( 19.369 0.000 5.462) 20.124 2.038 ( -2.001 -0.000 -10.857) 11.040 2.142 ( 14.427 0.000 1.936) 14.557 2.214 ( 9.263 0.000 2.217) 9.525 2.295 ( 6.146 0.000 -1.360) 6.294 2.331 ( 21.212 0.000 17.083) 27.236 2.453 ( 6.322 0.000 -2.243) 6.708 2.829 ( -4.727 -0.000 -1.673) 5.015 2.875 ( 6.635 0.000 4.893) 8.245 2.992 ( 0.427 0.000 2.906) 2.938 3.022 ( -0.977 -0.000 -2.687) 2.859 3.235 ( -1.623 -0.000 12.017) 12.126 3.272 ( 2.951 0.000 2.403) 3.806 3.391 ( 15.002 0.000 -6.985) 16.548 3.770 ( -4.859 -0.000 0.519) 4.887 3.811 ( -9.578 -0.000 -2.137) 9.814 4.196 ( 1.183 0.000 -3.814) 3.993 4.269 ( -2.480 -0.000 -0.905) 2.640 4.394 ( 11.663 0.000 12.005) 16.737 4.440 ( 9.836 0.000 -13.503) 16.706 4.660 ( -7.357 -0.000 2.551) 7.787 4.790 ( -10.909 -0.000 -5.719) 12.317 4.882 ( -2.379 -0.000 -15.371) 15.554 5.159 ( -1.878 -0.000 0.025) 1.878 5.283 ( 5.013 0.000 4.791) 6.934 5.504 ( 3.022 0.000 3.815) 4.867 5.516 ( 8.403 0.000 -10.750) 13.645 5.727 ( -2.270 -0.000 -7.261) 7.608 5.997 ( -0.681 -0.000 -6.340) 6.376 6.237 ( -1.026 -0.000 -9.569) 9.624 6.294 ( 3.775 0.000 5.597) 6.751 6.359 ( 1.994 0.000 2.763) 3.407 6.475 ( 8.191 0.000 -5.354) 9.785 6.588 ( 2.149 0.000 22.526) 22.628 6.895 ( 6.522 0.000 -0.825) 6.574 6.962 ( -4.377 -0.000 -1.860) 4.756 7.284 ( -9.491 -0.000 13.487) 16.491 7.285 ( -3.001 -0.000 -1.133) 3.208 7.564 ( -6.538 -0.000 -8.580) 10.787 7.826 ( 0.141 0.000 13.974) 13.974 8.047 ( -4.179 -0.000 -11.932) 12.642 8.335 ( -12.234 -0.000 -1.537) 12.330 8.406 ( -12.979 -0.000 -0.523) 12.989 8.613 ( -7.742 -0.000 -1.524) 7.891 8.732 ( -9.868 -0.000 1.672) 10.008 8.864 ( -1.977 -0.000 -9.311) 9.519 8.912 ( 1.096 0.000 0.463) 1.190 9.100 ( -11.944 -0.000 4.219) 12.667 9.150 ( -11.807 -0.000 -3.050) 12.195 9.441 ( -8.228 -0.000 -3.171) 8.818 9.607 ( -0.129 -0.000 2.597) 2.600 9.839 ( 2.631 0.000 -7.786) 8.218 10.071 ( 8.121 0.000 9.637) 12.602 10.119 ( 3.278 0.000 -3.520) 4.811 10.292 ( 10.143 0.000 5.278) 11.434 10.742 ( -3.750 -0.000 7.601) 8.476 11.365 ( -9.258 -0.000 0.982) 9.310 12.049 ( -2.568 -0.000 11.928) 12.201 12.300 ( 3.246 0.000 -0.069) 3.246 12.520 ( 0.094 0.000 -4.813) 4.814 12.761 ( 4.921 0.000 0.451) 4.942 13.078 ( 0.170 0.000 3.552) 3.556 13.102 ( -1.158 -0.000 -3.570) 3.753 14.495 ( -7.018 -0.000 -5.218) 8.746 14.727 ( -10.494 -0.000 -13.311) 16.950 14.905 ( -9.511 -0.000 -3.944) 10.297 15.030 ( 12.759 0.000 6.230) 14.199 15.403 ( 14.210 0.000 -2.720) 14.468 15.735 ( 20.114 0.000 13.380) 24.158 15.931 ( 12.917 0.000 0.846) 12.945 16.054 ( 2.063 0.000 -4.954) 5.366 16.320 ( 20.418 0.000 -1.967) 20.512 16.394 ( 3.039 0.000 6.744) 7.397 16.978 ( 5.312 0.000 11.560) 12.722 17.097 ( 6.651 0.000 -0.315) 6.659 17.284 ( -2.212 -0.000 -7.227) 7.558 17.501 ( -1.854 -0.000 0.044) 1.854 17.793 ( 5.373 0.000 -2.300) 5.844 17.879 ( 6.067 0.000 5.594) 8.253 18.530 ( -8.314 -0.000 -6.216) 10.381 18.748 ( 8.658 0.000 -7.838) 11.679 18.758 ( -10.080 -0.000 10.215) 14.351 19.128 ( 11.324 0.000 0.913) 11.360 19.425 ( 13.205 0.000 -1.442) 13.283 19.454 ( 2.689 0.000 2.514) 3.681 20.407 ( -6.319 -0.000 8.044) 10.229 20.510 ( 10.096 0.000 -1.616) 10.225 20.638 ( 9.179 0.000 -0.437) 9.189 20.825 ( 10.680 0.000 1.442) 10.777 22.231 ( 12.428 0.000 29.401) 31.920 22.846 ( -10.977 -0.000 -25.917) 28.146 24.655 ( -7.269 -0.000 18.130) 19.532 25.005 ( -15.532 -0.000 -10.869) 18.957 25.767 ( -15.919 -0.000 -4.974) 16.678 25.799 ( -9.473 -0.000 5.051) 10.736 26.536 ( 1.604 0.000 2.243) 2.757 26.683 ( -9.697 -0.000 -5.939) 11.371 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 15.452 3.519 6.676) 17.196 1.186 ( 5.456 0.159 -0.988) 5.547 1.276 ( 7.732 -5.885 -6.305) 11.583 1.382 ( 12.845 -8.765 -12.140) 19.728 1.568 ( 3.881 -0.395 3.765) 5.421 1.825 ( 9.736 8.000 -4.966) 13.544 1.942 ( -2.068 1.820 -14.108) 14.374 2.193 ( -0.336 2.905 1.037) 3.103 2.239 ( 0.536 2.470 -2.961) 3.893 2.338 ( 6.391 -1.215 8.857) 10.989 2.500 ( -4.147 -0.126 2.386) 4.787 2.720 ( -2.808 -5.663 0.612) 6.350 2.773 ( -3.882 1.152 -0.290) 4.059 2.928 ( 5.258 2.224 1.596) 5.928 2.995 ( -1.146 1.344 2.485) 3.049 3.052 ( 3.801 -0.999 9.863) 10.617 3.147 ( 0.064 6.528 6.221) 9.018 3.293 ( 3.123 3.747 6.179) 7.873 3.486 ( 9.579 3.700 -0.747) 10.296 3.678 ( 3.275 8.342 2.928) 9.428 3.753 ( -9.239 -4.679 -7.006) 12.504 4.248 ( 11.400 -4.568 0.526) 12.292 4.288 ( 2.955 8.117 -7.570) 11.486 4.444 ( 5.666 3.703 1.766) 6.996 4.518 ( 3.642 6.876 -5.464) 9.508 4.563 ( 0.087 -2.916 4.128) 5.055 4.788 ( 15.071 -9.076 -2.306) 17.743 4.856 ( 1.695 -4.565 -14.041) 14.861 5.203 ( 2.067 -3.658 -0.492) 4.230 5.362 ( 2.671 -3.247 0.247) 4.212 5.571 ( 3.025 -2.810 2.135) 4.648 5.650 ( 6.177 -2.555 -9.338) 11.484 5.685 ( 0.320 -5.658 -2.400) 6.155 6.010 ( 3.067 -0.712 -3.517) 4.721 6.177 ( -4.064 -1.137 -6.085) 7.405 6.332 ( -1.976 -0.623 5.881) 6.235 6.438 ( 4.436 -3.337 0.214) 5.555 6.587 ( 3.555 -3.490 -3.099) 5.867 6.653 ( 0.075 -0.180 16.931) 16.932 6.816 ( -2.188 6.302 -3.155) 7.379 6.963 ( -1.689 -1.319 -1.373) 2.545 7.218 ( -1.456 4.168 14.171) 14.843 7.295 ( -0.529 -3.637 -3.221) 4.887 7.504 ( -3.615 -2.977 -8.251) 9.488 7.783 ( -8.153 3.191 5.929) 10.574 7.937 ( -8.346 2.538 -0.668) 8.749 8.288 ( -12.608 -4.221 -0.166) 13.297 8.306 ( -11.108 -3.656 -3.329) 12.159 8.504 ( -8.789 0.021 -0.800) 8.826 8.616 ( -2.856 4.396 -0.731) 5.293 8.812 ( -5.316 -0.031 -2.995) 6.101 8.851 ( -9.718 3.480 0.619) 10.341 8.972 ( -11.713 5.634 -2.466) 13.230 8.985 ( -5.485 -0.198 2.971) 6.241 9.265 ( -8.263 8.124 -0.451) 11.596 9.588 ( 2.799 3.193 0.816) 4.324 9.888 ( -0.435 -4.106 -6.996) 8.123 10.164 ( 4.894 -3.901 1.113) 6.357 10.195 ( 9.223 0.516 6.359) 11.215 10.414 ( 10.949 1.203 4.541) 11.914 10.741 ( -2.250 -1.067 2.759) 3.717 11.172 ( -8.049 8.753 -1.352) 11.967 12.077 ( -0.064 -2.113 7.792) 8.074 12.405 ( 0.252 -6.083 -2.143) 6.455 12.539 ( 1.818 -1.834 -2.854) 3.849 12.808 ( 4.939 0.236 1.399) 5.138 13.070 ( -0.348 -0.260 -2.385) 2.425 13.137 ( 2.352 -2.578 2.704) 4.415 14.389 ( -7.216 1.707 -3.756) 8.312 14.565 ( -16.590 -3.047 -15.161) 22.680 14.776 ( -3.987 2.821 -0.346) 4.896 15.347 ( 8.287 -14.371 3.910) 17.044 15.500 ( 11.950 4.353 0.312) 12.722 15.905 ( 11.942 2.168 8.255) 14.679 16.056 ( 4.759 -1.237 -1.504) 5.142 16.122 ( 5.443 -1.239 8.174) 9.898 16.436 ( 5.861 -0.712 0.376) 5.916 16.676 ( 21.344 -11.529 -0.685) 24.268 17.026 ( 10.897 3.881 5.067) 12.629 17.145 ( 5.176 1.401 3.735) 6.534 17.282 ( 4.779 -1.356 -5.880) 7.697 17.473 ( -1.611 1.065 -0.003) 1.931 17.849 ( 4.497 -0.776 -0.569) 4.598 17.953 ( 6.532 0.831 4.378) 7.908 18.376 ( -8.252 4.380 -6.261) 11.246 18.638 ( -6.849 2.833 8.799) 11.504 18.853 ( 6.090 -2.086 -6.769) 9.341 19.190 ( 6.867 6.061 2.049) 9.386 19.501 ( 1.714 -5.933 -1.264) 6.304 19.603 ( 3.545 -6.690 -0.053) 7.572 20.196 ( -8.041 7.256 4.198) 11.616 20.589 ( 5.085 11.901 0.377) 12.947 20.925 ( 18.978 -19.477 -1.322) 27.226 21.121 ( 21.605 -11.147 1.096) 24.336 22.440 ( 16.699 1.976 21.416) 27.228 22.718 ( -10.537 -7.998 -25.730) 28.932 24.633 ( -8.736 1.803 16.729) 18.959 24.746 ( -17.149 5.080 -9.350) 20.182 25.563 ( -16.811 1.111 -3.354) 17.178 25.704 ( -9.268 1.910 7.049) 11.799 26.482 ( -6.237 5.637 -4.722) 9.642 26.540 ( -4.137 3.115 -1.463) 5.381 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 3.934 -4.496 4.686) 7.593 1.326 ( 0.486 -8.773 4.975) 10.097 1.413 ( 6.797 -2.225 0.390) 7.162 1.589 ( -0.125 3.663 -10.788) 11.394 1.664 ( 3.571 -12.981 -25.455) 28.796 1.724 ( -3.056 0.710 4.208) 5.249 1.857 ( 1.629 6.458 -10.049) 12.056 2.085 ( -3.959 6.434 0.446) 7.568 2.165 ( -1.712 4.692 -1.586) 5.240 2.279 ( -15.841 3.540 0.817) 16.252 2.347 ( -11.435 7.949 2.185) 14.097 2.568 ( -5.389 1.570 5.671) 7.980 2.726 ( -1.753 1.339 2.759) 3.533 2.895 ( 1.700 4.772 -3.897) 6.391 2.930 ( -3.962 3.661 4.366) 6.940 3.076 ( -1.290 3.961 6.006) 7.309 3.121 ( 2.447 2.757 9.871) 10.537 3.273 ( 3.058 4.189 0.529) 5.213 3.404 ( -1.857 6.659 5.120) 8.603 3.585 ( -9.459 3.252 5.083) 11.220 3.701 ( 11.024 9.245 -1.271) 14.443 4.001 ( 1.606 13.358 -12.600) 18.433 4.250 ( -4.123 7.219 -0.622) 8.337 4.465 ( 9.218 3.292 -3.628) 10.439 4.685 ( 17.449 -11.710 2.298) 21.140 4.942 ( 11.938 -13.278 -7.545) 19.385 5.005 ( 17.502 -9.536 -0.894) 19.951 5.138 ( 14.728 -6.896 -0.944) 16.289 5.303 ( 7.541 -5.350 -1.036) 9.304 5.453 ( -0.955 -5.246 -1.675) 5.589 5.580 ( -3.514 -3.350 -1.162) 4.992 5.702 ( 1.682 -4.369 -0.793) 4.748 5.922 ( 10.344 -3.098 -0.093) 10.799 6.044 ( 5.236 -0.418 -2.063) 5.643 6.197 ( 0.545 -2.644 -2.306) 3.551 6.308 ( -5.712 -1.210 6.994) 9.111 6.467 ( -0.046 5.479 0.013) 5.479 6.594 ( -1.055 -1.770 -2.345) 3.122 6.705 ( -0.113 1.916 -5.841) 6.149 6.738 ( -3.958 -3.325 5.181) 7.319 6.960 ( -5.029 -4.992 -0.349) 7.094 7.177 ( 2.196 6.503 9.960) 12.096 7.357 ( 1.584 -2.033 -2.322) 3.469 7.539 ( -2.365 -5.594 -5.875) 8.450 7.716 ( -2.802 -3.738 0.112) 4.673 7.768 ( -11.541 4.105 6.793) 14.007 8.132 ( -11.466 1.337 -2.462) 11.804 8.269 ( -9.563 -0.506 -1.518) 9.696 8.417 ( -7.275 1.551 -0.162) 7.441 8.560 ( 2.457 0.870 -2.776) 3.808 8.650 ( -9.789 7.019 4.003) 12.693 8.735 ( -7.570 -0.557 2.516) 7.996 8.850 ( -5.468 -4.286 -8.417) 10.914 8.930 ( -5.690 1.938 2.411) 6.476 9.017 ( -6.469 9.776 2.050) 11.901 9.540 ( 1.313 5.352 0.859) 5.577 9.937 ( -1.535 -5.199 -6.834) 8.723 10.265 ( 5.750 0.365 1.979) 6.092 10.313 ( 7.160 -0.772 4.238) 8.355 10.479 ( 4.932 2.953 5.715) 8.106 10.743 ( 0.718 -0.055 -0.660) 0.976 10.970 ( -5.109 3.887 -2.526) 6.899 12.147 ( 0.836 -2.953 4.681) 5.597 12.474 ( -1.199 -2.589 -1.391) 3.174 12.588 ( 3.849 -1.306 -3.405) 5.303 12.872 ( 4.686 -0.685 3.160) 5.693 13.082 ( -0.336 -2.140 -3.156) 3.828 13.237 ( 3.646 -3.728 2.670) 5.858 14.281 ( -5.234 1.255 -3.131) 6.227 14.416 ( -15.138 -4.030 -13.007) 20.361 14.714 ( -4.210 0.350 3.301) 5.361 15.465 ( 3.535 7.452 0.907) 8.298 15.670 ( 6.243 -10.153 4.674) 12.802 15.989 ( 7.848 1.712 3.933) 8.944 16.113 ( 2.826 -1.049 -0.306) 3.029 16.182 ( 3.253 1.234 7.379) 8.158 16.538 ( 5.808 -3.404 -4.582) 8.144 16.899 ( 6.583 2.757 1.254) 7.246 17.170 ( 5.244 0.429 6.074) 8.036 17.255 ( 19.752 -5.337 -4.545) 20.959 17.375 ( 2.114 0.376 1.757) 2.775 17.470 ( 5.734 -2.491 -1.006) 6.333 17.915 ( 2.853 -2.068 2.122) 4.113 18.011 ( 6.435 0.980 2.624) 7.018 18.206 ( -5.814 2.731 -5.972) 8.771 18.543 ( -9.206 1.494 6.399) 11.310 18.939 ( 10.950 -0.106 -5.809) 12.395 19.080 ( 2.167 11.152 2.515) 11.635 19.635 ( -6.368 -11.644 -1.012) 13.310 19.749 ( 0.226 -6.651 -1.503) 6.822 20.022 ( -10.781 2.488 3.792) 11.696 20.388 ( -2.299 11.297 -0.785) 11.556 21.504 ( 27.521 -16.786 0.084) 32.236 21.606 ( 27.872 -13.152 -1.627) 30.862 22.588 ( 7.180 -2.064 -4.003) 8.476 22.833 ( 2.734 -12.383 1.624) 12.785 24.312 ( -21.500 10.480 -11.449) 26.518 24.579 ( -8.612 5.729 14.800) 18.056 25.393 ( -15.140 -1.338 -2.938) 15.480 25.586 ( -4.129 5.433 10.262) 12.324 26.246 ( -11.328 5.360 -11.033) 16.697 26.457 ( 0.119 4.781 2.512) 5.402 ======================= Grid point 23 (17/95) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -2.246 17.191 -0.295) 17.339 1.275 ( -8.401 2.514 -10.308) 13.534 1.351 ( -4.463 16.451 -7.940) 18.805 1.438 ( -5.318 -5.097 -5.999) 9.500 1.596 ( -0.384 -8.196 5.421) 9.834 1.815 ( -2.973 -7.358 0.315) 7.942 1.933 ( 0.738 -1.481 -5.899) 6.126 1.991 ( -1.389 -5.301 -5.879) 8.037 2.037 ( -2.166 2.358 -0.519) 3.244 2.160 ( -17.628 -6.078 -1.977) 18.751 2.190 ( -16.420 -6.599 0.921) 17.720 2.595 ( 2.242 -0.230 3.630) 4.273 2.683 ( -2.986 2.981 9.442) 10.342 2.778 ( 0.606 6.989 -11.981) 13.883 2.823 ( -2.781 4.590 5.192) 7.467 2.959 ( -5.740 3.403 1.362) 6.811 3.103 ( 0.873 2.989 4.032) 5.094 3.179 ( -2.893 2.486 -1.675) 4.166 3.366 ( 1.867 4.977 15.685) 16.561 3.441 ( -2.841 2.974 -1.880) 4.522 3.631 ( 6.081 6.049 3.832) 9.395 3.864 ( 14.732 11.259 -4.129) 18.996 4.132 ( -3.481 1.106 -6.061) 7.076 4.474 ( 5.486 3.238 -6.745) 9.277 4.843 ( -1.092 4.550 3.604) 5.906 5.174 ( 4.842 -2.238 -3.145) 6.193 5.212 ( 13.136 -3.853 -5.795) 14.866 5.398 ( 4.947 -1.574 3.470) 6.245 5.551 ( 8.786 -7.775 -2.621) 12.021 5.634 ( 12.896 -7.959 -2.834) 15.417 5.681 ( -0.185 -7.903 3.476) 8.636 5.782 ( 5.489 -2.702 6.060) 8.611 5.939 ( 5.079 4.903 -0.433) 7.073 6.037 ( 0.036 9.060 2.774) 9.475 6.162 ( 1.456 4.691 -6.651) 8.268 6.374 ( -3.842 -4.695 2.550) 6.581 6.410 ( 3.326 -1.232 0.479) 3.579 6.592 ( -2.954 3.987 -2.745) 5.671 6.630 ( 1.341 0.403 -3.950) 4.191 6.801 ( -1.843 -8.167 0.308) 8.378 6.907 ( -9.007 5.148 -2.643) 10.706 7.197 ( 0.471 -5.816 11.820) 13.182 7.361 ( 1.650 1.934 -2.233) 3.383 7.594 ( -6.431 -3.404 -4.655) 8.637 7.644 ( -6.981 -5.210 4.246) 9.691 7.839 ( 2.227 -6.501 -1.112) 6.961 8.044 ( -6.963 -0.736 0.257) 7.007 8.199 ( -3.171 -2.191 -4.057) 5.597 8.304 ( -2.625 2.263 0.357) 3.484 8.475 ( -3.045 4.953 3.654) 6.868 8.591 ( 3.556 -0.015 -3.306) 4.856 8.723 ( -1.309 -1.048 -0.849) 1.879 8.799 ( -4.649 2.000 3.325) 6.056 8.856 ( -6.035 -0.295 0.725) 6.085 8.901 ( -6.245 -5.559 -1.091) 8.432 9.431 ( -0.612 6.981 0.248) 7.012 10.007 ( -1.431 -6.455 -5.181) 8.400 10.273 ( 4.366 5.271 0.138) 6.845 10.347 ( 4.319 3.873 0.670) 5.840 10.456 ( -2.459 2.086 7.209) 7.897 10.757 ( 2.414 1.204 -2.861) 3.932 10.915 ( -2.265 -1.536 -0.208) 2.744 12.226 ( 1.950 -3.015 2.191) 4.206 12.454 ( -3.119 2.086 1.345) 3.986 12.651 ( 4.750 -1.779 -5.186) 7.254 12.931 ( 4.015 0.738 4.833) 6.326 13.104 ( -0.995 -1.413 -2.906) 3.381 13.343 ( 3.113 -3.260 0.754) 4.570 14.248 ( -0.520 -2.874 -3.294) 4.403 14.340 ( -9.971 -5.942 -7.465) 13.800 14.673 ( -5.711 0.321 4.581) 7.328 15.358 ( -0.203 5.098 1.949) 5.461 15.864 ( 4.623 -2.744 4.051) 6.731 16.029 ( 6.335 2.106 0.069) 6.676 16.114 ( -0.190 2.516 2.390) 3.475 16.236 ( 1.427 -3.532 -0.792) 3.891 16.619 ( 5.070 -0.367 -3.378) 6.103 16.879 ( 8.307 7.334 0.630) 11.099 17.175 ( 2.019 5.794 3.587) 7.107 17.344 ( -0.681 0.342 3.330) 3.416 17.487 ( 5.180 3.263 -6.967) 9.274 17.545 ( 6.934 -3.552 5.353) 9.452 17.941 ( -1.014 1.187 -1.351) 2.065 18.038 ( 4.190 2.144 0.487) 4.732 18.254 ( 2.840 -8.852 -1.992) 9.507 18.428 ( -8.524 1.051 3.666) 9.339 18.873 ( -1.329 12.581 2.253) 12.850 19.044 ( 14.481 2.564 -3.745) 15.175 19.727 ( -11.376 0.755 1.842) 11.549 19.795 ( -6.535 -11.805 -2.116) 13.658 19.989 ( -2.975 -5.873 1.988) 6.877 20.160 ( -8.193 6.053 -1.925) 10.367 22.007 ( 25.993 -4.557 -0.104) 26.390 22.064 ( 23.704 -3.596 -1.123) 24.001 22.680 ( 3.438 -3.543 -5.982) 7.757 23.112 ( 3.754 -11.450 10.226) 15.804 23.899 ( -18.580 4.900 -12.441) 22.891 24.427 ( -7.609 3.085 8.853) 12.075 25.245 ( -9.302 2.059 -1.645) 9.669 25.531 ( -0.057 1.700 9.186) 9.342 26.049 ( -9.447 -0.172 -10.037) 13.784 26.402 ( 0.811 2.290 2.196) 3.275 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -7.122 1.071 -20.045) 21.300 1.181 ( 1.815 -12.050 0.346) 12.190 1.242 ( 9.137 -10.834 -1.191) 14.223 1.535 ( -3.014 -7.840 -0.664) 8.426 1.711 ( -11.989 7.615 0.164) 14.204 1.739 ( -0.046 -5.839 2.446) 6.331 1.898 ( -1.026 3.414 0.773) 3.648 1.949 ( -6.342 3.760 -0.186) 7.375 2.001 ( -17.853 1.430 -1.023) 17.939 2.140 ( -6.856 -7.398 12.801) 16.297 2.213 ( 1.354 -10.441 -15.559) 18.786 2.531 ( -1.362 9.430 11.839) 15.197 2.550 ( 1.361 13.208 -15.722) 20.578 2.730 ( -0.328 -4.515 3.730) 5.865 2.777 ( 0.076 -0.126 -0.865) 0.877 2.916 ( -2.630 -1.543 1.964) 3.627 3.072 ( 0.173 1.952 1.643) 2.557 3.169 ( -0.615 -1.595 -0.683) 1.841 3.388 ( -0.076 -4.627 0.848) 4.704 3.428 ( 1.853 -6.323 5.524) 8.598 3.683 ( 5.025 -1.576 3.103) 6.112 3.798 ( 9.427 11.177 4.736) 15.370 4.068 ( -4.972 -1.355 -8.681) 10.096 4.420 ( 0.533 3.161 -5.422) 6.299 4.690 ( -0.001 10.976 3.011) 11.382 5.186 ( -2.703 1.245 -2.887) 4.146 5.232 ( 5.002 12.208 -0.512) 13.203 5.370 ( 1.342 9.035 4.383) 10.132 5.617 ( 2.162 -0.545 2.122) 3.078 5.681 ( -1.511 13.869 2.535) 14.179 5.770 ( -1.716 0.871 -6.498) 6.777 5.895 ( 5.110 -1.537 -4.185) 6.781 5.912 ( 4.144 2.540 4.220) 6.437 6.018 ( 11.982 -1.008 -2.064) 12.201 6.144 ( 7.853 4.862 4.566) 10.303 6.316 ( -9.247 5.655 0.580) 10.855 6.425 ( 1.903 -3.533 -3.186) 5.124 6.475 ( -0.615 2.875 -2.744) 4.022 6.642 ( -5.983 1.332 0.313) 6.138 6.782 ( -0.284 -3.830 -2.573) 4.623 7.005 ( 0.752 -11.143 1.432) 11.259 7.207 ( -1.459 5.635 3.061) 6.576 7.447 ( -0.884 -8.231 5.606) 9.998 7.601 ( -6.014 -9.168 -0.945) 11.005 7.745 ( 1.507 -5.063 -3.052) 6.101 7.934 ( 4.609 -1.271 -3.320) 5.821 8.042 ( -4.354 -5.466 1.514) 7.150 8.098 ( -6.601 1.993 -0.288) 6.902 8.390 ( -1.888 -6.558 -0.593) 6.850 8.500 ( 7.772 -5.850 3.978) 10.509 8.619 ( 6.247 -0.954 -7.190) 9.572 8.689 ( 3.220 2.686 1.144) 4.346 8.821 ( -10.560 -4.808 3.576) 12.141 8.865 ( -1.844 -6.873 0.160) 7.118 8.971 ( -1.336 -6.569 -0.349) 6.713 9.304 ( -1.279 4.819 0.233) 4.991 10.091 ( 0.407 -2.772 -3.522) 4.500 10.194 ( 0.642 4.386 -0.728) 4.492 10.313 ( 1.520 2.312 0.879) 2.903 10.410 ( -2.141 1.980 3.243) 4.361 10.696 ( -0.272 5.762 -1.456) 5.949 10.930 ( -0.268 -0.015 0.322) 0.419 12.297 ( 2.947 -0.857 -0.017) 3.069 12.369 ( -3.725 2.579 1.342) 4.725 12.700 ( 1.599 -1.186 -2.749) 3.394 12.961 ( 4.693 2.590 6.271) 8.250 13.076 ( -2.977 0.981 -4.637) 5.597 13.412 ( 1.545 -1.442 -0.035) 2.114 14.352 ( 2.163 -6.937 -4.439) 8.515 14.396 ( -1.628 -9.574 0.057) 9.711 14.608 ( -6.447 0.477 1.286) 6.592 15.321 ( -0.771 -0.436 3.097) 3.222 15.857 ( 1.137 5.838 1.037) 6.037 16.008 ( 1.307 6.044 0.640) 6.217 16.139 ( 3.376 -3.357 -1.629) 5.032 16.310 ( 0.649 -3.099 0.728) 3.249 16.638 ( 2.341 1.352 -1.126) 2.928 16.814 ( 7.613 9.876 1.111) 12.519 17.024 ( -1.476 10.655 -1.026) 10.805 17.297 ( -5.575 9.063 3.514) 11.206 17.396 ( 0.194 -1.917 -0.983) 2.163 17.681 ( 8.187 1.430 1.585) 8.461 17.863 ( -5.026 3.525 -1.158) 6.247 18.052 ( 3.509 7.102 0.499) 7.938 18.256 ( -3.865 -3.564 -1.260) 5.406 18.549 ( 2.407 -10.405 0.244) 10.682 18.632 ( -2.387 12.008 1.986) 12.403 19.088 ( 10.543 7.209 -2.829) 13.082 19.568 ( -12.235 0.560 3.045) 12.621 19.906 ( -1.677 4.379 -2.270) 5.210 19.964 ( -5.888 -8.625 -0.080) 10.443 20.192 ( -2.926 -12.416 -0.305) 12.760 22.000 ( 8.927 27.604 0.059) 29.012 22.087 ( 9.979 18.686 -0.222) 21.185 22.716 ( 1.950 4.706 -2.593) 5.716 23.413 ( 3.443 -16.361 11.961) 20.557 23.780 ( -8.508 -10.318 -12.616) 18.385 24.456 ( -0.893 -9.838 4.035) 10.670 25.194 ( -1.050 -3.864 -0.419) 4.026 25.558 ( -1.010 -3.869 2.770) 4.864 26.014 ( -3.627 -5.214 -4.253) 7.644 26.413 ( 0.884 -1.995 1.271) 2.525 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 4.568 0.000) 4.568 1.380 ( 0.000 13.589 0.000) 13.589 1.539 ( -0.000 -2.890 -0.000) 2.890 1.677 ( -0.000 -28.404 -0.000) 28.404 1.680 ( -0.000 -3.585 -0.000) 3.585 1.749 ( 0.000 7.539 0.000) 7.539 1.797 ( 0.000 5.840 0.000) 5.840 1.842 ( -0.000 -0.374 -0.000) 0.374 1.939 ( -0.000 -17.119 -0.000) 17.119 2.216 ( 0.000 19.157 0.000) 19.157 2.304 ( -0.000 -8.700 -0.000) 8.700 2.311 ( -0.000 -0.006 -0.000) 0.006 2.413 ( 0.000 2.391 0.000) 2.391 2.788 ( -0.000 -0.716 -0.000) 0.716 2.819 ( -0.000 -4.335 -0.000) 4.335 2.921 ( -0.000 -0.593 -0.000) 0.593 3.052 ( 0.000 0.376 0.000) 0.376 3.147 ( 0.000 2.205 0.000) 2.205 3.526 ( -0.000 -7.213 -0.000) 7.213 3.620 ( 0.000 11.648 0.000) 11.648 3.741 ( 0.000 0.643 0.000) 0.643 3.765 ( -0.000 -23.972 -0.000) 23.972 4.137 ( -0.000 -13.673 -0.000) 13.673 4.381 ( 0.000 0.306 0.000) 0.306 4.455 ( 0.000 16.279 0.000) 16.279 4.887 ( 0.000 23.618 0.000) 23.618 5.134 ( 0.000 3.025 0.000) 3.025 5.238 ( 0.000 7.650 0.000) 7.650 5.348 ( 0.000 15.230 0.000) 15.230 5.621 ( 0.000 5.907 0.000) 5.907 5.730 ( 0.000 7.299 0.000) 7.299 5.798 ( 0.000 13.567 0.000) 13.567 5.903 ( 0.000 0.205 0.000) 0.205 5.923 ( 0.000 8.440 0.000) 8.440 6.126 ( -0.000 -1.202 -0.000) 1.202 6.299 ( -0.000 -1.028 -0.000) 1.028 6.472 ( -0.000 -2.990 -0.000) 2.990 6.508 ( 0.000 5.566 0.000) 5.566 6.579 ( -0.000 -8.470 -0.000) 8.470 6.811 ( 0.000 2.399 0.000) 2.399 7.052 ( 0.000 8.816 0.000) 8.816 7.222 ( -0.000 -10.401 -0.000) 10.401 7.627 ( -0.000 -9.596 -0.000) 9.596 7.695 ( -0.000 -0.260 -0.000) 0.260 7.778 ( -0.000 -0.715 -0.000) 0.715 8.003 ( -0.000 -3.489 -0.000) 3.489 8.039 ( -0.000 -6.112 -0.000) 6.112 8.230 ( -0.000 -12.590 -0.000) 12.590 8.518 ( -0.000 -8.874 -0.000) 8.874 8.680 ( -0.000 -9.276 -0.000) 9.276 8.700 ( -0.000 -1.125 -0.000) 1.125 8.732 ( -0.000 -2.609 -0.000) 2.609 8.851 ( -0.000 -8.489 -0.000) 8.489 8.972 ( -0.000 -6.892 -0.000) 6.892 9.042 ( -0.000 -1.130 -0.000) 1.130 9.306 ( -0.000 -5.902 -0.000) 5.902 10.009 ( 0.000 7.704 0.000) 7.704 10.158 ( 0.000 5.391 0.000) 5.391 10.305 ( 0.000 0.064 0.000) 0.064 10.411 ( -0.000 -3.118 -0.000) 3.118 10.579 ( 0.000 4.246 0.000) 4.246 10.883 ( 0.000 5.042 0.000) 5.042 12.251 ( 0.000 4.963 0.000) 4.963 12.373 ( -0.000 -2.722 -0.000) 2.722 12.726 ( -0.000 -1.732 -0.000) 1.732 12.960 ( 0.000 2.997 0.000) 2.997 13.005 ( 0.000 2.394 0.000) 2.394 13.424 ( 0.000 1.067 0.000) 1.067 14.486 ( -0.000 -7.974 -0.000) 7.974 14.534 ( 0.000 1.080 0.000) 1.080 14.633 ( -0.000 -12.617 -0.000) 12.617 15.343 ( -0.000 -0.921 -0.000) 0.921 15.760 ( 0.000 4.362 0.000) 4.362 15.888 ( 0.000 8.129 0.000) 8.129 16.187 ( 0.000 0.828 0.000) 0.828 16.340 ( 0.000 1.443 0.000) 1.443 16.614 ( 0.000 5.475 0.000) 5.475 16.703 ( 0.000 3.912 0.000) 3.912 16.780 ( 0.000 14.162 0.000) 14.162 17.098 ( 0.000 9.807 0.000) 9.807 17.439 ( -0.000 -2.118 -0.000) 2.118 17.631 ( 0.000 16.698 0.000) 16.698 17.707 ( 0.000 2.364 0.000) 2.364 17.891 ( 0.000 6.863 0.000) 6.863 18.407 ( -0.000 -10.230 -0.000) 10.230 18.437 ( 0.000 7.293 0.000) 7.293 18.729 ( -0.000 -8.032 -0.000) 8.032 18.974 ( 0.000 9.786 0.000) 9.786 19.524 ( -0.000 -1.610 -0.000) 1.610 19.783 ( 0.000 5.551 0.000) 5.551 20.101 ( -0.000 -8.096 -0.000) 8.096 20.389 ( -0.000 -10.469 -0.000) 10.469 21.432 ( 0.000 36.186 0.000) 36.186 21.664 ( 0.000 30.756 0.000) 30.756 22.512 ( 0.000 15.847 0.000) 15.847 23.825 ( -0.000 -21.196 -0.000) 21.196 23.849 ( -0.000 -3.549 -0.000) 3.549 24.733 ( -0.000 -18.274 -0.000) 18.274 25.341 ( -0.000 -12.061 -0.000) 12.061 25.686 ( -0.000 -10.090 -0.000) 10.090 26.097 ( -0.000 -5.925 -0.000) 5.925 26.492 ( -0.000 -5.826 -0.000) 5.826 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.952 0.000 -9.563) 10.770 1.240 ( 7.673 0.000 -4.696) 8.996 1.264 ( 7.834 0.000 -3.697) 8.663 1.390 ( 3.615 0.000 4.180) 5.526 1.619 ( -5.410 -0.000 -20.182) 20.895 1.970 ( 8.614 0.000 -2.325) 8.923 2.131 ( 9.430 0.000 -2.222) 9.688 2.243 ( 5.880 0.000 3.714) 6.955 2.263 ( -10.542 -0.000 1.236) 10.614 2.331 ( 0.297 0.000 0.240) 0.382 2.488 ( 5.298 0.000 -3.339) 6.262 2.591 ( -2.660 -0.000 5.565) 6.168 2.755 ( -1.964 -0.000 0.667) 2.075 2.946 ( -1.138 -0.000 -1.957) 2.263 3.001 ( -0.364 -0.000 -1.276) 1.327 3.164 ( 6.736 0.000 15.366) 16.777 3.253 ( 3.898 0.000 7.238) 8.221 3.398 ( 3.761 0.000 7.999) 8.839 3.527 ( -2.777 -0.000 -4.791) 5.538 3.573 ( -10.349 -0.000 -5.813) 11.870 3.914 ( 16.884 0.000 10.667) 19.971 4.292 ( 7.980 0.000 -2.203) 8.279 4.315 ( -1.538 -0.000 -4.299) 4.566 4.528 ( -6.293 -0.000 2.509) 6.775 4.625 ( 10.025 0.000 -3.548) 10.635 4.714 ( 18.957 0.000 -20.846) 28.177 4.818 ( 17.767 0.000 6.298) 18.851 4.823 ( 8.968 0.000 -6.829) 11.272 5.145 ( -1.084 -0.000 1.376) 1.751 5.356 ( 2.133 0.000 -2.478) 3.270 5.542 ( -8.266 -0.000 -6.741) 10.667 5.582 ( 2.744 0.000 -0.631) 2.815 5.637 ( 1.297 0.000 3.278) 3.526 6.076 ( 10.537 0.000 -4.487) 11.453 6.109 ( -5.073 -0.000 -7.289) 8.880 6.324 ( -3.633 -0.000 6.024) 7.034 6.413 ( 1.775 0.000 0.356) 1.810 6.573 ( 3.039 0.000 -2.446) 3.901 6.700 ( -3.055 -0.000 16.676) 16.953 6.828 ( -7.903 -0.000 2.342) 8.242 6.912 ( -4.111 -0.000 -2.073) 4.604 7.261 ( 3.578 0.000 -4.053) 5.406 7.277 ( -3.663 -0.000 8.970) 9.689 7.460 ( 6.994 0.000 -10.666) 12.754 7.747 ( -12.681 -0.000 -6.278) 14.150 7.821 ( -10.066 -0.000 10.599) 14.618 8.148 ( -7.702 -0.000 -2.976) 8.257 8.176 ( -5.273 -0.000 -0.714) 5.321 8.408 ( -7.889 -0.000 -1.529) 8.036 8.599 ( -7.532 -0.000 5.535) 9.347 8.740 ( -16.536 -0.000 -1.459) 16.600 8.756 ( -2.514 -0.000 -10.945) 11.230 8.860 ( -13.074 -0.000 9.049) 15.901 8.997 ( -2.902 -0.000 -0.100) 2.903 9.239 ( -8.559 -0.000 -1.744) 8.735 9.658 ( 2.348 0.000 3.386) 4.120 9.843 ( 2.376 0.000 -7.108) 7.495 10.159 ( 3.073 0.000 -2.229) 3.796 10.319 ( 8.872 0.000 10.303) 13.596 10.563 ( 11.133 0.000 4.498) 12.007 10.704 ( -2.110 -0.000 -0.364) 2.141 11.162 ( -9.330 -0.000 -1.958) 9.533 12.065 ( -1.053 -0.000 5.778) 5.873 12.358 ( 2.461 0.000 -0.775) 2.580 12.554 ( 4.935 0.000 -2.990) 5.770 12.862 ( 4.467 0.000 0.760) 4.531 13.066 ( -0.440 -0.000 -3.087) 3.119 13.143 ( 3.129 0.000 4.961) 5.865 14.316 ( -7.171 -0.000 -3.306) 7.897 14.316 ( -16.084 -0.000 -12.311) 20.255 14.782 ( -2.760 -0.000 -3.408) 4.386 15.331 ( 11.247 0.000 7.786) 13.679 15.664 ( 10.153 0.000 -1.144) 10.218 15.966 ( -0.453 -0.000 -2.055) 2.104 16.139 ( 6.082 0.000 4.904) 7.813 16.197 ( 9.776 0.000 2.843) 10.181 16.502 ( 2.125 0.000 9.271) 9.512 16.769 ( 15.925 0.000 0.280) 15.927 17.206 ( 17.388 0.000 1.171) 17.427 17.210 ( 4.274 0.000 1.484) 4.525 17.328 ( 10.275 0.000 -4.366) 11.164 17.472 ( -0.978 -0.000 0.112) 0.984 17.884 ( 3.083 0.000 1.275) 3.336 18.038 ( 5.949 0.000 2.838) 6.591 18.295 ( -10.154 -0.000 -6.000) 11.795 18.583 ( -12.992 -0.000 9.487) 16.087 18.877 ( 6.971 0.000 -4.665) 8.388 19.326 ( 7.078 0.000 -0.053) 7.078 19.451 ( -2.113 -0.000 -0.307) 2.135 19.594 ( 4.167 0.000 -0.884) 4.260 20.230 ( -10.612 -0.000 0.533) 10.625 20.742 ( 7.336 0.000 6.052) 9.510 21.040 ( 24.865 0.000 1.298) 24.898 21.154 ( 21.836 0.000 -1.918) 21.920 22.444 ( -10.903 -0.000 -26.415) 28.577 22.734 ( 20.515 0.000 22.837) 30.698 24.544 ( -20.813 -0.000 -15.718) 26.082 24.635 ( -5.476 -0.000 15.046) 16.012 25.383 ( -18.311 -0.000 -1.639) 18.384 25.643 ( -8.437 -0.000 10.977) 13.845 26.409 ( -11.056 -0.000 -11.209) 15.744 26.563 ( 0.034 0.000 1.986) 1.986 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -0.390 -2.343 -7.955) 8.302 1.274 ( 2.126 0.114 -0.104) 2.132 1.402 ( 0.504 -3.643 -10.634) 11.252 1.468 ( 0.285 -4.761 4.277) 6.406 1.513 ( 2.086 -4.908 -16.960) 17.779 1.916 ( 7.724 10.889 1.384) 13.422 2.025 ( -3.787 8.515 -0.326) 9.325 2.158 ( -5.261 -0.205 -0.779) 5.323 2.201 ( -4.939 2.393 -0.633) 5.525 2.312 ( 4.347 15.079 0.628) 15.706 2.461 ( 0.031 13.906 -0.100) 13.906 2.567 ( -0.610 0.781 3.614) 3.748 2.737 ( -0.527 0.630 1.189) 1.445 2.907 ( -2.565 1.726 -2.142) 3.761 2.984 ( -0.175 1.654 -0.186) 1.674 3.169 ( -2.917 7.285 2.580) 8.260 3.273 ( 3.873 4.811 15.465) 16.653 3.357 ( -3.344 3.990 -2.512) 5.780 3.480 ( -7.276 -0.704 -3.507) 8.107 3.516 ( 3.829 1.698 6.866) 8.043 3.973 ( -0.072 10.066 -1.513) 10.180 4.203 ( 6.747 6.652 1.905) 9.664 4.337 ( -2.366 6.246 -4.010) 7.790 4.516 ( 0.084 -8.221 -4.563) 9.403 4.752 ( 18.349 5.889 -3.702) 19.623 4.892 ( 21.430 -10.664 -3.885) 24.250 5.002 ( 17.458 -9.022 -1.220) 19.689 5.150 ( 16.761 -8.777 -1.405) 18.972 5.211 ( -3.254 -6.555 1.522) 7.475 5.391 ( 1.397 -2.636 -1.737) 3.452 5.474 ( -6.197 -2.736 -2.155) 7.109 5.627 ( 0.489 -3.850 -2.004) 4.368 5.792 ( -2.017 -14.319 4.639) 15.186 6.022 ( -3.885 -1.375 -5.162) 6.605 6.200 ( 10.041 -1.103 -1.726) 10.248 6.304 ( -2.636 0.203 3.925) 4.732 6.453 ( -1.389 -3.061 -3.826) 5.093 6.581 ( -1.264 2.980 0.900) 3.360 6.690 ( -4.083 0.786 -0.103) 4.159 6.711 ( -4.287 2.478 8.247) 9.620 6.859 ( -5.882 -0.811 1.863) 6.223 7.293 ( -1.837 -2.920 5.952) 6.880 7.338 ( 5.104 -2.014 -1.845) 5.789 7.438 ( -0.788 1.945 -13.527) 13.689 7.673 ( -1.289 0.400 3.299) 3.564 7.744 ( -4.446 -0.061 4.183) 6.105 8.061 ( -7.167 4.898 -1.441) 8.799 8.130 ( -5.473 -3.976 -1.622) 6.957 8.355 ( -6.058 -0.509 1.242) 6.205 8.509 ( -9.662 0.507 -1.425) 9.780 8.571 ( -12.534 -2.964 1.008) 12.919 8.706 ( -5.207 0.362 -2.603) 5.832 8.756 ( -4.301 1.874 1.910) 5.066 8.930 ( -3.166 3.408 1.161) 4.794 9.107 ( -5.903 5.713 -0.746) 8.249 9.649 ( 1.727 4.165 2.205) 5.019 9.855 ( 0.764 -1.208 -4.997) 5.197 10.235 ( 2.824 -4.912 -0.620) 5.700 10.431 ( 7.489 0.769 7.762) 10.813 10.649 ( 8.585 3.895 4.346) 10.381 10.702 ( -1.713 -2.555 -2.054) 3.699 10.991 ( -7.487 6.394 -3.256) 10.370 12.108 ( -0.151 -3.430 4.012) 5.281 12.409 ( 0.770 -2.976 -1.338) 3.353 12.608 ( 4.886 -0.797 -1.896) 5.301 12.913 ( 4.216 -0.374 1.111) 4.376 13.054 ( -0.161 -0.434 -1.942) 1.997 13.219 ( 3.144 -2.779 3.710) 5.601 14.165 ( -12.534 -3.320 -8.987) 15.777 14.232 ( -5.502 0.730 -2.504) 6.089 14.720 ( -1.711 2.468 -1.065) 3.186 15.538 ( 6.461 -6.155 4.401) 9.950 15.696 ( 6.561 4.071 1.731) 7.913 15.974 ( -2.034 -3.467 -3.541) 5.357 16.171 ( 5.273 2.733 1.495) 6.124 16.279 ( 2.410 1.259 6.120) 6.696 16.539 ( 3.087 -0.922 2.094) 3.842 16.942 ( 5.238 -4.544 2.197) 7.274 17.246 ( 4.098 0.668 1.900) 4.567 17.410 ( 15.174 0.166 -2.051) 15.313 17.428 ( 5.919 2.005 1.110) 6.347 17.516 ( 15.058 -3.066 -2.200) 15.524 17.917 ( 0.818 -0.808 4.315) 4.466 18.073 ( -0.022 -0.158 -6.331) 6.333 18.171 ( -4.828 2.670 1.325) 5.674 18.466 ( -12.878 0.017 6.361) 14.363 18.965 ( 6.055 -3.478 -3.202) 7.682 19.300 ( 3.157 8.167 -0.152) 8.757 19.454 ( -2.290 -3.384 -0.939) 4.192 19.675 ( 3.025 -4.341 -1.393) 5.471 20.017 ( -9.931 8.626 2.669) 13.422 20.650 ( 0.674 15.704 2.022) 15.848 21.425 ( 24.822 -17.143 -1.086) 30.186 21.607 ( 21.157 -16.240 1.516) 26.714 22.352 ( -8.206 -8.738 -19.548) 22.931 23.003 ( 22.166 1.726 20.567) 30.287 24.206 ( -22.208 6.819 -15.743) 28.063 24.601 ( -7.366 2.199 9.497) 12.219 25.200 ( -15.120 -0.737 -1.278) 15.192 25.624 ( -3.164 -0.659 13.872) 14.243 26.203 ( -10.409 6.086 -13.061) 17.776 26.536 ( -0.200 3.226 1.521) 3.572 ======================= Grid point 32 (22/95) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -6.370 1.676 -12.911) 14.495 1.305 ( -0.196 -2.886 -0.761) 2.991 1.430 ( 0.056 -3.129 0.567) 3.181 1.580 ( -1.302 -5.982 7.171) 9.429 1.675 ( 7.127 -2.224 -15.229) 16.961 1.821 ( 5.245 17.441 4.214) 18.694 1.868 ( -9.526 0.084 0.249) 9.530 1.889 ( 1.008 20.656 -0.897) 20.700 1.987 ( -12.804 10.222 -1.614) 16.464 2.108 ( -1.865 3.754 0.360) 4.207 2.146 ( -0.330 7.978 -0.024) 7.985 2.591 ( 0.502 -1.114 1.769) 2.150 2.724 ( -0.322 1.215 2.104) 2.451 2.822 ( -2.432 3.689 -2.386) 5.022 2.930 ( -0.056 4.621 1.202) 4.775 2.982 ( -5.779 5.421 -0.578) 7.945 3.216 ( -1.390 6.328 7.759) 10.108 3.235 ( 1.137 6.791 -3.469) 7.710 3.421 ( -3.364 0.845 2.735) 4.417 3.559 ( 6.226 4.635 7.509) 10.800 3.749 ( -3.832 4.793 -5.319) 8.121 4.138 ( -2.933 7.032 -5.362) 9.317 4.192 ( 9.895 9.331 2.817) 13.890 4.598 ( 4.877 2.475 -7.334) 9.148 4.882 ( 6.783 -1.948 6.254) 9.430 5.078 ( -4.914 0.596 -6.934) 8.519 5.303 ( 13.382 -6.780 1.556) 15.082 5.383 ( 5.416 -7.651 2.367) 9.668 5.451 ( 4.979 -9.430 -3.127) 11.113 5.527 ( -0.712 -7.275 -2.276) 7.656 5.547 ( 5.341 -11.890 2.464) 13.266 5.779 ( 9.521 -9.141 0.983) 13.236 5.949 ( -2.918 -4.071 1.096) 5.127 6.115 ( -4.488 -12.694 -1.094) 13.509 6.247 ( 2.461 5.951 -0.712) 6.479 6.282 ( 2.124 3.462 1.172) 4.228 6.413 ( -2.243 2.637 0.742) 3.540 6.572 ( -1.799 -5.430 2.709) 6.329 6.598 ( -2.847 -0.126 -8.782) 9.233 6.680 ( -2.534 0.777 3.170) 4.132 6.888 ( -1.764 -3.386 1.244) 4.016 7.230 ( -1.212 7.382 4.172) 8.566 7.345 ( -3.715 -0.295 -2.306) 4.383 7.478 ( -0.403 -7.523 -2.795) 8.036 7.650 ( 0.794 7.891 5.047) 9.401 7.747 ( 2.823 -3.353 -3.531) 5.628 7.991 ( -0.060 -1.529 0.775) 1.715 8.103 ( -5.114 -3.083 -1.779) 6.231 8.269 ( -7.872 1.567 -1.022) 8.091 8.482 ( -5.053 -8.755 0.269) 10.112 8.545 ( -1.161 3.136 5.450) 6.394 8.694 ( -5.072 -7.805 -1.076) 9.370 8.710 ( 3.130 2.615 -6.117) 7.352 8.825 ( -5.139 3.945 2.627) 6.991 8.930 ( -2.509 8.281 0.627) 8.675 9.561 ( 0.322 7.089 0.711) 7.132 9.887 ( -0.343 -3.832 -2.656) 4.675 10.339 ( 1.583 -2.868 0.460) 3.308 10.460 ( 3.544 3.976 1.980) 5.682 10.583 ( 1.818 10.474 3.679) 11.250 10.764 ( 2.567 -3.798 -2.057) 5.025 10.849 ( -4.794 0.330 -1.212) 4.956 12.188 ( 0.710 -3.783 2.062) 4.367 12.445 ( -0.780 -0.881 -0.359) 1.230 12.664 ( 3.374 -1.069 -1.739) 3.944 12.961 ( 2.088 -0.837 1.086) 2.498 13.070 ( 0.153 -1.449 -1.008) 1.771 13.313 ( 1.949 -3.444 1.522) 4.239 14.127 ( -6.453 -5.786 -4.620) 9.822 14.182 ( -2.434 -1.178 -1.364) 3.029 14.665 ( -1.632 1.826 0.964) 2.632 15.503 ( 0.696 9.435 -0.283) 9.465 15.844 ( 6.356 -7.209 6.023) 11.342 16.010 ( -3.752 -4.398 -4.032) 7.048 16.166 ( 2.441 2.896 0.404) 3.809 16.258 ( 0.661 3.042 2.750) 4.154 16.619 ( 2.777 -3.362 -1.223) 4.529 17.029 ( 3.850 0.507 0.989) 4.007 17.285 ( 3.305 0.638 2.818) 4.390 17.358 ( -1.976 3.785 -0.056) 4.270 17.603 ( 8.761 -0.664 7.966) 11.860 17.622 ( 10.030 4.787 -9.333) 14.513 17.929 ( -3.900 0.651 -1.259) 4.150 18.086 ( -1.528 -4.507 -0.227) 4.764 18.152 ( 6.690 -1.711 0.687) 6.940 18.356 ( -10.454 0.468 2.672) 10.800 19.036 ( 0.404 4.498 -0.161) 4.518 19.216 ( 8.771 2.349 -1.178) 9.156 19.530 ( -2.443 -8.375 -0.487) 8.737 19.716 ( -2.709 5.735 -3.878) 7.434 19.831 ( -6.965 -3.546 5.471) 9.540 20.342 ( -1.337 16.524 -0.828) 16.599 22.002 ( 17.036 -20.429 -0.973) 26.618 22.088 ( 15.358 -14.113 1.647) 20.923 22.450 ( -6.451 -14.300 -9.243) 18.208 23.245 ( 20.293 3.241 17.609) 27.063 23.779 ( -21.624 8.659 -15.169) 27.797 24.455 ( -6.679 6.400 4.371) 10.231 25.112 ( -8.316 -3.139 -1.235) 8.974 25.672 ( 4.452 2.503 16.611) 17.378 25.934 ( -10.159 5.073 -15.710) 19.384 26.469 ( 0.016 4.019 0.932) 4.125 ======================= Grid point 33 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 2.721 0.000) 2.721 1.232 ( 0.000 18.133 0.000) 18.133 1.338 ( 0.000 18.581 0.000) 18.581 1.387 ( -0.000 -6.689 -0.000) 6.689 1.637 ( -0.000 -5.059 -0.000) 5.059 1.691 ( -0.000 -2.115 -0.000) 2.115 1.865 ( -0.000 -5.451 -0.000) 5.451 1.913 ( -0.000 -0.542 -0.000) 0.542 1.989 ( -0.000 -12.381 -0.000) 12.381 2.037 ( 0.000 5.777 0.000) 5.777 2.042 ( 0.000 0.671 0.000) 0.671 2.629 ( -0.000 -2.646 -0.000) 2.646 2.682 ( 0.000 4.691 0.000) 4.691 2.725 ( 0.000 5.493 0.000) 5.493 2.829 ( 0.000 5.731 0.000) 5.731 2.889 ( 0.000 1.266 0.000) 1.266 3.132 ( 0.000 4.474 0.000) 4.474 3.140 ( 0.000 1.247 0.000) 1.247 3.372 ( 0.000 2.487 0.000) 2.487 3.475 ( 0.000 6.457 0.000) 6.457 3.730 ( -0.000 -0.390 -0.000) 0.390 4.024 ( 0.000 2.270 0.000) 2.270 4.064 ( 0.000 11.342 0.000) 11.342 4.512 ( 0.000 6.979 0.000) 6.979 4.848 ( 0.000 7.093 0.000) 7.093 5.103 ( -0.000 -5.444 -0.000) 5.444 5.452 ( 0.000 3.847 0.000) 3.847 5.477 ( 0.000 1.605 0.000) 1.605 5.544 ( -0.000 -6.306 -0.000) 6.306 5.647 ( -0.000 -8.048 -0.000) 8.048 5.833 ( -0.000 -12.483 -0.000) 12.483 5.930 ( 0.000 4.678 0.000) 4.678 6.031 ( -0.000 -6.468 -0.000) 6.468 6.032 ( 0.000 15.633 0.000) 15.633 6.217 ( -0.000 -0.417 -0.000) 0.417 6.313 ( -0.000 -4.998 -0.000) 4.998 6.359 ( 0.000 0.059 0.000) 0.059 6.557 ( 0.000 4.248 0.000) 4.248 6.659 ( -0.000 -5.999 -0.000) 5.999 6.771 ( 0.000 12.484 0.000) 12.484 6.790 ( -0.000 -11.310 -0.000) 11.310 7.239 ( -0.000 -5.072 -0.000) 5.072 7.334 ( -0.000 -3.295 -0.000) 3.295 7.488 ( 0.000 4.936 0.000) 4.936 7.624 ( -0.000 -8.217 -0.000) 8.217 7.885 ( -0.000 -6.416 -0.000) 6.416 7.961 ( 0.000 0.302 0.000) 0.302 8.150 ( 0.000 4.602 0.000) 4.602 8.246 ( -0.000 -8.821 -0.000) 8.821 8.500 ( 0.000 1.032 0.000) 1.032 8.646 ( -0.000 -6.634 -0.000) 6.634 8.705 ( -0.000 -4.433 -0.000) 4.433 8.711 ( 0.000 3.226 0.000) 3.226 8.789 ( 0.000 5.765 0.000) 5.765 8.826 ( -0.000 -7.881 -0.000) 7.881 9.423 ( 0.000 8.068 0.000) 8.068 9.975 ( -0.000 -6.548 -0.000) 6.548 10.319 ( 0.000 6.154 0.000) 6.154 10.416 ( 0.000 7.892 0.000) 7.892 10.432 ( 0.000 1.040 0.000) 1.040 10.775 ( 0.000 3.129 0.000) 3.129 10.885 ( -0.000 -4.469 -0.000) 4.469 12.262 ( -0.000 -3.568 -0.000) 3.568 12.418 ( 0.000 3.035 0.000) 3.035 12.694 ( -0.000 -0.551 -0.000) 0.551 13.000 ( -0.000 -1.825 -0.000) 1.825 13.075 ( 0.000 1.238 0.000) 1.238 13.381 ( -0.000 -2.778 -0.000) 2.778 14.207 ( -0.000 -7.320 -0.000) 7.320 14.238 ( -0.000 -6.731 -0.000) 6.731 14.619 ( 0.000 2.511 0.000) 2.511 15.359 ( 0.000 5.429 0.000) 5.429 15.969 ( 0.000 3.605 0.000) 3.605 16.048 ( -0.000 -7.279 -0.000) 7.279 16.112 ( 0.000 4.603 0.000) 4.603 16.249 ( -0.000 -2.047 -0.000) 2.047 16.669 ( -0.000 -0.253 -0.000) 0.253 17.004 ( 0.000 5.466 0.000) 5.466 17.202 ( 0.000 9.357 0.000) 9.357 17.350 ( -0.000 -2.484 -0.000) 2.484 17.459 ( 0.000 10.827 0.000) 10.827 17.738 ( -0.000 -2.053 -0.000) 2.053 17.870 ( 0.000 1.759 0.000) 1.759 18.123 ( -0.000 -2.902 -0.000) 2.902 18.224 ( 0.000 5.692 0.000) 5.692 18.365 ( -0.000 -11.077 -0.000) 11.077 18.859 ( 0.000 12.509 0.000) 12.509 19.266 ( 0.000 3.314 0.000) 3.314 19.540 ( 0.000 5.258 0.000) 5.258 19.709 ( -0.000 -12.651 -0.000) 12.651 19.957 ( -0.000 -10.910 -0.000) 10.910 20.071 ( 0.000 12.153 0.000) 12.153 22.322 ( 0.000 0.641 0.000) 0.641 22.343 ( -0.000 -1.341 -0.000) 1.341 22.653 ( -0.000 -12.252 -0.000) 12.252 23.304 ( 0.000 3.901 0.000) 3.901 23.558 ( -0.000 -4.741 -0.000) 4.741 24.353 ( -0.000 -0.086 -0.000) 0.086 25.122 ( -0.000 -2.911 -0.000) 2.911 25.604 ( 0.000 7.979 0.000) 7.979 25.878 ( -0.000 -6.014 -0.000) 6.014 26.416 ( 0.000 1.719 0.000) 1.719 ======================= Grid point 40 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -4.616 -0.000 -13.370) 14.145 1.286 ( 1.013 0.000 -0.277) 1.050 1.401 ( 4.394 0.000 -3.000) 5.321 1.417 ( 0.086 0.000 -3.424) 3.425 1.438 ( -1.153 -0.000 0.359) 1.207 1.937 ( -10.315 -0.000 -0.202) 10.317 2.050 ( -9.046 -0.000 -0.693) 9.073 2.150 ( 2.377 0.000 1.059) 2.603 2.178 ( -1.301 -0.000 -0.533) 1.406 2.559 ( 5.254 0.000 2.439) 5.792 2.634 ( 6.770 0.000 0.954) 6.837 2.721 ( 7.415 0.000 -0.317) 7.422 2.769 ( 8.977 0.000 -0.369) 8.985 2.896 ( -2.109 -0.000 -1.394) 2.528 2.995 ( 0.069 0.000 -0.177) 0.190 3.211 ( -15.375 -0.000 -1.902) 15.492 3.293 ( 2.083 0.000 1.656) 2.661 3.384 ( -2.436 -0.000 4.050) 4.726 3.493 ( 5.643 0.000 4.476) 7.203 3.583 ( 3.578 0.000 4.104) 5.445 4.033 ( -7.525 -0.000 -5.956) 9.597 4.288 ( -1.619 -0.000 -7.383) 7.559 4.371 ( 8.717 0.000 6.431) 10.833 4.462 ( -1.862 -0.000 1.896) 2.658 4.913 ( 12.746 0.000 -0.584) 12.760 5.018 ( 18.057 0.000 -7.909) 19.713 5.092 ( -5.287 -0.000 0.914) 5.366 5.099 ( 12.572 0.000 -1.729) 12.691 5.248 ( 17.945 0.000 2.566) 18.127 5.334 ( -4.276 -0.000 -2.459) 4.932 5.349 ( -7.058 -0.000 -1.886) 7.306 5.561 ( -4.400 -0.000 -2.108) 4.879 5.625 ( -3.210 -0.000 6.305) 7.075 5.941 ( -7.091 -0.000 -3.364) 7.849 6.239 ( 4.295 0.000 -2.224) 4.837 6.282 ( -1.426 -0.000 2.445) 2.830 6.441 ( 2.069 0.000 -2.534) 3.271 6.630 ( 4.242 0.000 -0.039) 4.242 6.666 ( -3.403 -0.000 1.430) 3.691 6.729 ( -4.024 -0.000 8.043) 8.994 6.786 ( -6.782 -0.000 0.921) 6.845 7.222 ( -1.537 -0.000 1.326) 2.030 7.361 ( 3.312 0.000 -2.407) 4.095 7.380 ( -5.613 -0.000 -8.528) 10.210 7.648 ( -2.773 -0.000 2.737) 3.896 7.824 ( 13.793 0.000 0.974) 13.827 8.048 ( -3.704 -0.000 -0.483) 3.735 8.103 ( -1.287 -0.000 -0.241) 1.309 8.302 ( -3.103 -0.000 0.061) 3.103 8.357 ( -15.204 -0.000 3.011) 15.499 8.405 ( -10.232 -0.000 -1.057) 10.287 8.669 ( -0.639 -0.000 -7.054) 7.083 8.745 ( -3.454 -0.000 6.914) 7.729 8.947 ( -1.590 -0.000 0.181) 1.600 9.104 ( -3.198 -0.000 -0.955) 3.338 9.711 ( 1.033 0.000 1.444) 1.775 9.854 ( 1.184 0.000 -2.553) 2.814 10.203 ( 1.530 0.000 -0.671) 1.670 10.526 ( 5.087 0.000 8.788) 10.155 10.645 ( -2.084 -0.000 -5.445) 5.830 10.777 ( 6.955 0.000 3.339) 7.715 10.980 ( -6.399 -0.000 -2.857) 7.008 12.073 ( -0.314 -0.000 1.766) 1.793 12.391 ( 0.975 0.000 -0.472) 1.083 12.641 ( 3.246 0.000 -0.931) 3.377 12.955 ( 3.523 0.000 1.458) 3.813 13.034 ( -1.469 -0.000 -2.195) 2.641 13.236 ( 2.450 0.000 3.069) 3.927 14.008 ( -7.209 -0.000 -5.130) 8.848 14.187 ( -3.229 -0.000 -1.316) 3.487 14.728 ( -0.965 -0.000 -1.438) 1.732 15.555 ( 5.469 0.000 5.387) 7.677 15.792 ( 2.949 0.000 -0.370) 2.972 15.903 ( -2.200 -0.000 -3.885) 4.465 16.248 ( 2.111 0.000 2.347) 3.157 16.320 ( 2.360 0.000 -0.443) 2.401 16.564 ( -0.120 -0.000 4.920) 4.922 16.927 ( 2.380 0.000 0.579) 2.449 17.282 ( 1.706 0.000 0.364) 1.745 17.446 ( -0.313 -0.000 0.363) 0.479 17.612 ( 14.451 0.000 4.869) 15.249 17.684 ( 23.459 0.000 -7.969) 24.776 17.917 ( -3.432 -0.000 8.255) 8.940 17.968 ( -10.581 -0.000 -9.956) 14.528 18.208 ( 1.766 0.000 3.403) 3.834 18.332 ( -13.067 -0.000 3.043) 13.417 18.967 ( 3.087 0.000 -1.645) 3.497 19.388 ( -0.023 -0.000 -2.051) 2.052 19.445 ( 1.308 0.000 1.473) 1.970 19.632 ( 0.776 0.000 -0.600) 0.981 20.045 ( -5.706 -0.000 0.170) 5.709 20.853 ( 1.052 0.000 4.301) 4.428 21.490 ( 13.634 0.000 0.282) 13.637 21.571 ( 14.382 0.000 -1.755) 14.489 22.151 ( -5.293 -0.000 -10.966) 12.177 23.319 ( 22.267 0.000 19.415) 29.543 23.986 ( -22.030 -0.000 -17.690) 28.254 24.578 ( -4.379 -0.000 4.367) 6.185 25.061 ( -9.636 -0.000 -0.237) 9.639 25.624 ( -0.766 -0.000 10.660) 10.687 26.143 ( -6.500 -0.000 -9.491) 11.503 26.568 ( -0.163 -0.000 0.755) 0.773 ======================= Grid point 41 (25/95) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.000 -1.293 -0.000) 1.293 1.294 ( -0.000 -0.032 -0.000) 0.032 1.386 ( -0.000 -0.991 -0.000) 0.991 1.461 ( -0.000 -3.838 -0.000) 3.838 1.541 ( -0.000 -8.881 -0.000) 8.881 1.842 ( 0.000 3.093 0.000) 3.093 1.949 ( 0.000 4.440 0.000) 4.440 2.140 ( 0.000 3.241 0.000) 3.241 2.154 ( 0.000 1.981 0.000) 1.981 2.433 ( 0.000 26.039 0.000) 26.039 2.570 ( 0.000 29.081 0.000) 29.081 2.585 ( -0.000 -0.367 -0.000) 0.367 2.739 ( 0.000 0.468 0.000) 0.468 2.859 ( 0.000 2.249 0.000) 2.249 2.983 ( 0.000 1.561 0.000) 1.561 3.035 ( 0.000 5.092 0.000) 5.092 3.305 ( 0.000 3.430 0.000) 3.430 3.381 ( -0.000 -2.570 -0.000) 2.570 3.407 ( 0.000 9.609 0.000) 9.609 3.667 ( -0.000 -2.897 -0.000) 2.897 3.806 ( 0.000 12.105 0.000) 12.105 4.283 ( 0.000 9.173 0.000) 9.173 4.383 ( 0.000 5.185 0.000) 5.185 4.492 ( -0.000 -11.011 -0.000) 11.011 5.016 ( 0.000 3.371 0.000) 3.371 5.058 ( 0.000 1.221 0.000) 1.221 5.238 ( -0.000 -11.967 -0.000) 11.967 5.251 ( -0.000 -8.162 -0.000) 8.162 5.301 ( -0.000 -5.236 -0.000) 5.236 5.385 ( -0.000 -7.539 -0.000) 7.539 5.418 ( -0.000 -5.196 -0.000) 5.196 5.628 ( -0.000 -11.073 -0.000) 11.073 5.761 ( -0.000 -15.562 -0.000) 15.562 5.891 ( -0.000 -0.625 -0.000) 0.625 6.300 ( -0.000 -1.370 -0.000) 1.370 6.336 ( -0.000 -7.193 -0.000) 7.193 6.396 ( 0.000 5.156 0.000) 5.156 6.596 ( 0.000 5.053 0.000) 5.053 6.596 ( 0.000 5.131 0.000) 5.131 6.709 ( 0.000 1.631 0.000) 1.631 6.791 ( -0.000 -4.992 -0.000) 4.992 7.288 ( -0.000 -5.637 -0.000) 5.637 7.333 ( 0.000 2.272 0.000) 2.272 7.370 ( -0.000 -0.992 -0.000) 0.992 7.667 ( -0.000 -2.402 -0.000) 2.402 7.921 ( 0.000 12.581 0.000) 12.581 7.964 ( -0.000 -4.888 -0.000) 4.888 8.020 ( 0.000 2.170 0.000) 2.170 8.231 ( -0.000 -0.126 -0.000) 0.126 8.347 ( -0.000 -1.865 -0.000) 1.865 8.468 ( -0.000 -10.979 -0.000) 10.979 8.626 ( 0.000 2.971 0.000) 2.971 8.738 ( 0.000 0.179 0.000) 0.179 8.894 ( 0.000 4.551 0.000) 4.551 9.040 ( 0.000 5.064 0.000) 5.064 9.675 ( 0.000 4.694 0.000) 4.694 9.851 ( -0.000 -0.115 -0.000) 0.115 10.265 ( -0.000 -5.076 -0.000) 5.076 10.554 ( 0.000 2.978 0.000) 2.978 10.658 ( -0.000 -4.628 -0.000) 4.628 10.825 ( 0.000 0.431 0.000) 0.431 10.829 ( 0.000 9.923 0.000) 9.923 12.119 ( -0.000 -4.156 -0.000) 4.156 12.414 ( -0.000 -1.784 -0.000) 1.784 12.663 ( -0.000 -0.656 -0.000) 0.656 12.975 ( 0.000 0.548 0.000) 0.548 13.036 ( -0.000 -1.880 -0.000) 1.880 13.274 ( -0.000 -2.180 -0.000) 2.180 13.996 ( -0.000 -3.700 -0.000) 3.700 14.162 ( 0.000 0.435 0.000) 0.435 14.697 ( 0.000 2.185 0.000) 2.185 15.624 ( 0.000 0.444 0.000) 0.444 15.792 ( -0.000 -1.214 -0.000) 1.214 15.909 ( -0.000 -2.760 -0.000) 2.760 16.233 ( 0.000 2.783 0.000) 2.783 16.314 ( 0.000 1.956 0.000) 1.956 16.577 ( -0.000 -1.671 -0.000) 1.671 16.998 ( -0.000 -4.724 -0.000) 4.724 17.294 ( -0.000 -0.439 -0.000) 0.439 17.421 ( 0.000 2.791 0.000) 2.791 17.706 ( 0.000 1.896 0.000) 1.896 17.767 ( 0.000 5.639 0.000) 5.639 17.885 ( -0.000 -1.087 -0.000) 1.087 17.959 ( -0.000 -6.845 -0.000) 6.845 18.210 ( 0.000 1.301 0.000) 1.301 18.272 ( -0.000 -1.493 -0.000) 1.493 19.026 ( -0.000 -4.142 -0.000) 4.142 19.326 ( 0.000 6.381 0.000) 6.381 19.436 ( -0.000 -1.445 -0.000) 1.445 19.706 ( -0.000 -5.463 -0.000) 5.463 19.898 ( 0.000 11.208 0.000) 11.208 20.659 ( 0.000 17.997 0.000) 17.997 21.734 ( -0.000 -17.322 -0.000) 17.322 21.863 ( -0.000 -18.721 -0.000) 18.721 22.178 ( -0.000 -8.138 -0.000) 8.138 23.517 ( 0.000 1.028 0.000) 1.028 23.709 ( 0.000 7.766 0.000) 7.766 24.528 ( 0.000 3.978 0.000) 3.978 25.018 ( -0.000 -1.466 -0.000) 1.466 25.681 ( -0.000 -4.225 -0.000) 4.225 26.009 ( 0.000 8.784 0.000) 8.784 26.538 ( 0.000 3.138 0.000) 3.138 ======================= Grid point 83 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 5.680 0.000 27.343) 27.927 0.605 ( -5.395 -0.000 26.607) 27.149 1.072 ( -2.463 -0.000 2.724) 3.673 1.081 ( 1.120 0.000 2.001) 2.293 1.220 ( -9.493 -0.000 27.885) 29.457 1.338 ( 12.757 0.000 42.174) 44.061 1.401 ( -4.452 -0.000 -10.826) 11.706 1.559 ( 5.334 0.000 10.982) 12.209 1.859 ( -3.689 -0.000 23.599) 23.886 2.030 ( -1.491 -0.000 -0.013) 1.491 2.257 ( 2.131 0.000 4.103) 4.623 2.380 ( -1.108 -0.000 -0.737) 1.331 2.631 ( 5.636 0.000 -3.790) 6.791 2.843 ( 7.550 0.000 10.741) 13.129 2.860 ( 1.389 0.000 -1.139) 1.796 3.150 ( -2.426 -0.000 -2.355) 3.381 3.154 ( -2.273 -0.000 1.876) 2.947 3.275 ( -5.201 -0.000 -3.406) 6.217 3.278 ( -0.572 -0.000 -8.181) 8.201 3.575 ( 4.018 0.000 -21.461) 21.833 3.840 ( -0.842 -0.000 -17.447) 17.467 4.274 ( -8.912 -0.000 0.904) 8.958 4.362 ( 2.871 0.000 -33.710) 33.832 4.402 ( 2.947 0.000 -3.333) 4.449 4.732 ( -7.490 -0.000 8.825) 11.575 4.878 ( -2.894 -0.000 -0.958) 3.048 5.085 ( 2.498 0.000 2.587) 3.596 5.132 ( 34.856 0.000 -0.228) 34.857 5.144 ( -3.831 -0.000 -0.708) 3.896 5.223 ( -2.288 -0.000 -3.356) 4.062 5.422 ( 7.240 0.000 1.013) 7.310 5.533 ( -4.592 -0.000 0.682) 4.643 5.660 ( -10.340 -0.000 2.261) 10.584 5.663 ( 11.207 0.000 -1.832) 11.356 6.010 ( -10.277 -0.000 -3.720) 10.930 6.048 ( -4.230 -0.000 -5.220) 6.719 6.353 ( -4.536 -0.000 0.907) 4.626 6.364 ( -1.711 -0.000 2.166) 2.760 6.659 ( 3.602 0.000 23.496) 23.771 6.803 ( 0.921 0.000 2.315) 2.492 6.976 ( 0.317 0.000 -1.314) 1.352 7.336 ( 5.550 0.000 5.991) 8.166 7.491 ( -3.042 -0.000 6.589) 7.257 7.664 ( -1.196 -0.000 -10.787) 10.853 7.759 ( 9.143 0.000 6.494) 11.214 7.984 ( -6.189 -0.000 -3.777) 7.251 8.308 ( 1.518 0.000 1.332) 2.019 8.371 ( -4.995 -0.000 0.803) 5.059 8.849 ( -0.899 -0.000 0.355) 0.967 8.958 ( -0.508 -0.000 -0.830) 0.973 8.986 ( 0.722 0.000 -3.471) 3.545 9.126 ( -2.445 -0.000 -11.406) 11.665 9.407 ( 0.104 0.000 6.516) 6.517 9.585 ( -5.781 -0.000 -0.797) 5.835 9.597 ( -4.759 -0.000 8.189) 9.472 9.653 ( 1.248 0.000 -0.096) 1.251 9.754 ( 5.274 0.000 0.138) 5.276 9.765 ( 5.093 0.000 -4.124) 6.553 9.928 ( -7.377 -0.000 3.399) 8.122 10.178 ( 2.193 0.000 -6.854) 7.197 11.382 ( -9.603 -0.000 2.579) 9.944 11.526 ( 3.244 0.000 -3.176) 4.540 12.261 ( -2.550 -0.000 5.084) 5.688 12.490 ( 13.381 0.000 -4.336) 14.066 12.626 ( 3.279 0.000 0.476) 3.313 12.630 ( -1.537 -0.000 0.149) 1.545 13.137 ( 0.546 0.000 0.711) 0.896 13.162 ( -0.611 -0.000 -0.313) 0.687 14.737 ( -6.646 -0.000 2.595) 7.134 14.792 ( -0.546 -0.000 1.881) 1.959 14.830 ( 5.545 0.000 7.293) 9.161 15.013 ( -5.306 -0.000 1.605) 5.543 15.121 ( 1.540 0.000 3.170) 3.524 15.130 ( -2.050 -0.000 1.604) 2.603 15.796 ( -13.881 -0.000 -20.338) 24.624 15.929 ( 3.063 0.000 -15.812) 16.106 16.009 ( -0.865 -0.000 1.065) 1.371 16.106 ( 6.744 0.000 -6.506) 9.370 16.797 ( 11.293 0.000 20.533) 23.433 17.052 ( -11.922 -0.000 13.338) 17.889 17.468 ( -3.956 -0.000 -7.188) 8.205 17.555 ( 3.710 0.000 -4.106) 5.534 17.623 ( 5.137 0.000 0.065) 5.137 17.638 ( -5.272 -0.000 -2.197) 5.712 18.550 ( -11.585 -0.000 3.926) 12.232 18.744 ( 1.939 0.000 -3.580) 4.072 18.939 ( -4.831 -0.000 2.261) 5.334 19.031 ( -12.169 -0.000 0.789) 12.195 19.050 ( 5.974 0.000 -2.091) 6.329 19.089 ( 4.828 0.000 -1.836) 5.165 20.392 ( 18.671 0.000 0.884) 18.692 20.443 ( -3.224 -0.000 -1.169) 3.429 20.569 ( 0.418 0.000 1.893) 1.939 20.651 ( -0.305 -0.000 -1.397) 1.430 22.798 ( 36.401 0.000 6.488) 36.975 23.150 ( -8.252 -0.000 -7.803) 11.358 24.918 ( 4.069 0.000 10.655) 11.405 25.339 ( -2.973 -0.000 -6.308) 6.973 26.005 ( 1.200 0.000 2.352) 2.641 26.198 ( -9.706 -0.000 -7.064) 12.004 26.543 ( -8.462 -0.000 9.303) 12.576 26.868 ( 0.897 0.000 -5.238) 5.314 ======================= Grid point 84 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 3.224 -15.241 21.846) 26.831 0.956 ( 5.504 -7.225 23.079) 24.802 1.109 ( 2.513 -7.836 1.241) 8.322 1.166 ( 1.002 -6.549 0.514) 6.645 1.353 ( 0.958 -11.975 3.040) 12.392 1.469 ( 12.135 -6.613 -3.074) 14.158 1.705 ( 9.292 -9.158 3.101) 13.410 1.775 ( 21.956 -6.117 35.079) 41.833 2.030 ( 3.497 -5.220 -4.327) 7.629 2.083 ( -3.338 -12.817 24.619) 27.956 2.283 ( 2.611 0.122 5.735) 6.303 2.382 ( -1.117 -2.204 -2.240) 3.335 2.606 ( 5.551 7.239 -8.929) 12.765 2.881 ( 2.651 -0.826 -1.002) 2.952 2.937 ( 4.594 2.064 11.870) 12.894 3.039 ( -2.750 5.290 -2.377) 6.418 3.152 ( -3.152 -2.230 1.437) 4.120 3.194 ( -0.765 0.995 2.303) 2.622 3.277 ( 0.789 -0.919 -9.571) 9.647 3.531 ( 0.623 6.751 -11.007) 12.928 3.834 ( 4.150 -8.235 -19.661) 21.716 4.156 ( -10.276 -0.416 -13.097) 16.652 4.319 ( 0.884 4.967 -9.666) 10.903 4.371 ( 0.225 6.359 -8.394) 10.533 4.582 ( -3.381 3.226 15.332) 16.029 4.860 ( -3.337 0.564 -0.334) 3.401 4.956 ( -13.471 3.350 -4.412) 14.566 5.080 ( 2.704 1.788 3.435) 4.723 5.149 ( -3.076 2.782 -4.212) 5.911 5.268 ( -2.016 2.745 -2.333) 4.128 5.363 ( -0.742 10.153 1.672) 10.317 5.457 ( 4.360 3.345 -2.631) 6.093 5.758 ( 3.996 -9.476 -3.098) 10.741 5.854 ( 7.322 -3.980 -3.166) 8.915 5.972 ( 5.218 -0.436 2.887) 5.979 6.066 ( 2.464 -5.597 -6.036) 8.593 6.357 ( -2.156 -3.693 3.540) 5.552 6.420 ( 0.511 -5.591 3.461) 6.596 6.743 ( 0.008 0.041 12.567) 12.567 6.835 ( -0.929 -2.026 4.368) 4.904 6.981 ( 2.286 1.620 7.043) 7.579 7.366 ( 3.009 2.713 1.632) 4.368 7.459 ( -2.853 0.917 3.500) 4.607 7.599 ( -2.293 1.384 -10.413) 10.752 7.942 ( -5.643 -3.415 -8.262) 10.572 8.018 ( 7.960 -9.219 2.938) 12.529 8.353 ( 3.308 1.395 0.741) 3.666 8.452 ( 7.835 -6.064 2.060) 10.119 8.825 ( -6.676 9.149 1.016) 11.371 8.866 ( -8.702 -2.097 -0.943) 9.001 8.974 ( 0.384 -1.092 -3.715) 3.891 9.087 ( -4.295 -4.103 -5.326) 7.978 9.313 ( -5.413 7.831 3.418) 10.115 9.433 ( -4.220 11.071 2.397) 12.088 9.493 ( -3.400 12.162 5.809) 13.900 9.527 ( -2.319 1.043 -0.330) 2.564 9.796 ( 3.865 -0.753 -0.213) 3.944 9.815 ( 5.348 3.535 -2.492) 6.878 10.047 ( 1.368 -10.974 2.169) 11.269 10.206 ( 0.339 -3.913 -3.285) 5.120 11.072 ( -7.515 17.020 10.285) 21.259 11.332 ( 2.638 20.158 -1.155) 20.363 12.192 ( -1.260 0.761 11.757) 11.849 12.523 ( -1.556 1.029 -5.829) 6.120 12.642 ( -4.771 -3.795 -0.340) 6.106 12.752 ( -1.279 -8.115 -0.728) 8.247 13.088 ( 0.895 3.650 1.756) 4.148 13.111 ( -2.287 0.495 -2.881) 3.712 14.729 ( -5.110 4.506 11.903) 13.715 14.822 ( -4.500 -2.090 4.559) 6.738 15.025 ( 2.306 -16.360 2.479) 16.707 15.076 ( -1.967 -7.500 -5.053) 9.255 15.211 ( 4.761 -7.650 4.615) 10.124 15.327 ( 11.520 -10.559 4.321) 16.214 15.678 ( -1.153 -9.773 -12.366) 15.804 15.898 ( 2.971 0.920 -14.137) 14.475 16.053 ( 1.915 -3.337 1.227) 4.039 16.182 ( 5.303 -2.601 -6.785) 8.995 16.862 ( 6.110 4.874 22.734) 24.040 17.033 ( -3.022 1.337 8.339) 8.970 17.371 ( -7.059 1.619 -7.738) 10.598 17.544 ( 1.308 3.699 -5.062) 6.405 17.591 ( 2.499 -1.096 -0.304) 2.745 17.719 ( 4.572 -1.589 -0.822) 4.910 18.389 ( 2.057 7.033 7.052) 10.170 18.649 ( -4.150 10.583 -2.888) 11.729 18.861 ( 1.023 -3.392 0.786) 3.630 19.019 ( 3.328 0.261 1.845) 3.814 19.161 ( 1.301 -10.161 1.243) 10.319 19.326 ( 8.070 -9.690 -2.375) 12.832 20.372 ( -6.704 0.782 -1.963) 7.029 20.554 ( 4.486 -5.150 -2.944) 7.437 20.579 ( 6.523 2.066 3.338) 7.614 20.653 ( 2.338 0.321 -2.198) 3.225 22.504 ( 2.562 21.323 30.642) 37.419 23.098 ( -17.063 -1.118 -25.881) 31.019 25.027 ( 1.378 -0.632 13.230) 13.317 25.245 ( -8.173 2.570 -7.723) 11.535 25.986 ( -1.455 4.246 2.068) 4.942 26.054 ( -10.010 2.175 -2.981) 10.668 26.474 ( 0.034 4.026 9.837) 10.629 26.796 ( -2.674 5.140 -5.849) 8.233 ======================= Grid point 85 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 2.481 -7.045 3.114) 8.092 1.228 ( 8.830 -12.022 5.797) 16.003 1.311 ( 2.470 -13.714 4.319) 14.589 1.343 ( 1.886 -14.968 1.981) 15.216 1.619 ( -2.035 -13.534 -3.851) 14.218 1.709 ( 12.503 -6.925 -6.037) 15.515 1.902 ( 9.492 -0.766 5.844) 11.173 2.044 ( 7.485 3.703 -5.891) 10.219 2.157 ( 5.165 -3.699 4.501) 7.786 2.314 ( -1.507 -0.631 8.569) 8.723 2.358 ( 8.767 0.024 6.127) 10.696 2.433 ( 3.320 8.669 -12.942) 15.927 2.582 ( 8.590 -7.579 15.195) 19.030 2.873 ( -4.899 1.908 -1.365) 5.432 2.946 ( 4.241 -2.101 -2.300) 5.262 3.032 ( 8.408 3.851 10.571) 14.045 3.167 ( -1.882 -1.382 1.992) 3.069 3.182 ( -4.183 -1.184 1.978) 4.777 3.278 ( 1.505 2.158 5.826) 6.393 3.392 ( -2.026 3.996 -0.134) 4.482 3.941 ( -2.502 2.721 -10.020) 10.680 3.993 ( -1.640 -2.177 -7.354) 7.843 4.140 ( 0.337 3.205 -2.139) 3.868 4.373 ( 6.782 -7.501 -18.524) 21.105 4.547 ( 1.394 7.919 3.280) 8.684 4.691 ( -9.936 11.072 -0.160) 14.877 4.873 ( -9.791 -7.302 3.945) 12.835 5.001 ( -5.055 4.038 -5.633) 8.579 5.122 ( -3.760 -4.086 1.339) 5.712 5.199 ( 4.427 0.453 -3.194) 5.478 5.332 ( 7.045 -4.285 0.551) 8.264 5.496 ( 2.894 -4.020 -2.663) 5.623 5.795 ( -4.602 1.629 -1.192) 5.025 5.953 ( 4.658 -1.837 -4.452) 6.700 6.100 ( 6.881 -4.374 0.449) 8.166 6.249 ( 10.277 -5.293 -3.286) 12.017 6.461 ( 1.610 -5.379 4.887) 7.443 6.540 ( -2.871 -6.896 4.131) 8.536 6.721 ( -2.776 2.291 2.296) 4.269 6.879 ( -1.283 -1.490 12.110) 12.269 6.992 ( 1.936 2.913 6.410) 7.302 7.324 ( -2.491 2.251 -2.488) 4.179 7.443 ( -1.978 -1.414 -1.744) 2.992 7.531 ( -2.047 -0.040 -6.301) 6.625 7.897 ( -3.564 -0.669 -10.878) 11.467 8.154 ( 0.708 1.201 3.946) 4.185 8.339 ( 3.826 4.100 0.744) 5.657 8.500 ( -3.919 7.948 -2.574) 9.228 8.659 ( -2.487 -0.515 5.177) 5.767 8.739 ( -10.302 3.494 -1.849) 11.035 8.973 ( -2.786 5.031 1.793) 6.024 9.057 ( -6.950 -1.380 -2.331) 7.459 9.112 ( -6.220 10.678 2.429) 12.595 9.184 ( -1.058 10.022 0.353) 10.084 9.295 ( -3.925 6.847 2.458) 8.266 9.470 ( 0.139 4.492 2.561) 5.173 9.830 ( 7.729 -1.373 -1.441) 7.981 9.879 ( 2.299 -4.359 -2.779) 5.658 10.227 ( 0.556 -6.498 2.814) 7.103 10.340 ( 1.719 -10.189 1.442) 10.433 10.810 ( -2.487 9.656 2.609) 10.307 11.000 ( 4.164 17.619 -0.731) 18.119 12.220 ( -1.002 -1.014 7.920) 8.047 12.458 ( -1.830 1.193 -5.513) 5.930 12.640 ( -4.613 -1.400 -0.560) 4.853 12.831 ( -0.374 -1.584 2.591) 3.060 13.097 ( 0.949 -1.783 -0.257) 2.036 13.127 ( -1.003 -5.701 -2.555) 6.327 14.565 ( -8.099 7.028 7.502) 13.087 14.827 ( -4.512 -0.461 0.546) 4.568 15.049 ( -6.093 1.280 -4.954) 7.957 15.275 ( 3.827 -5.383 3.417) 7.436 15.476 ( 2.262 -13.605 -0.071) 13.792 15.590 ( 11.714 -3.999 6.749) 14.098 15.858 ( -0.999 -5.337 -6.075) 8.148 16.116 ( 8.066 -13.935 -0.911) 16.126 16.182 ( 6.677 -7.142 1.099) 9.839 16.345 ( 9.056 -17.145 -7.635) 20.839 16.879 ( -0.022 7.783 13.555) 15.630 17.023 ( 4.454 -2.172 8.499) 9.838 17.246 ( -5.395 1.034 -7.762) 9.510 17.492 ( 1.588 1.914 -3.857) 4.589 17.660 ( 5.142 -1.925 -0.752) 5.541 17.774 ( 4.489 -0.236 0.253) 4.502 18.408 ( 7.066 -0.479 0.833) 7.131 18.421 ( -4.472 7.640 -0.528) 8.868 18.895 ( -1.419 1.966 0.206) 2.433 19.018 ( 1.526 2.712 5.693) 6.488 19.474 ( 10.239 -14.541 -0.148) 17.785 19.595 ( 9.851 -10.415 -1.573) 14.421 20.294 ( -11.229 -4.453 -3.054) 12.460 20.642 ( 9.391 2.745 3.087) 10.259 20.665 ( 3.867 -2.846 -2.285) 5.318 20.731 ( 5.074 -9.564 -3.234) 11.299 22.433 ( 1.332 1.456 23.230) 23.314 22.917 ( -9.592 -7.127 -26.358) 28.940 24.980 ( -7.025 9.764 3.323) 12.480 25.014 ( -8.301 8.528 3.131) 12.306 25.841 ( -3.029 9.956 4.981) 11.538 25.890 ( -8.839 4.257 -2.488) 10.121 26.427 ( 1.042 4.850 6.247) 7.977 26.611 ( -5.689 7.826 -7.030) 11.959 ======================= Grid point 86 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 2.159 -6.507 -14.146) 15.720 1.386 ( -0.372 0.784 -1.998) 2.178 1.500 ( 2.489 -6.433 -1.898) 7.154 1.627 ( -6.911 -3.851 -10.492) 13.140 1.770 ( -3.002 -11.995 1.362) 12.439 1.888 ( -6.238 2.242 -11.042) 12.879 1.910 ( 2.791 9.506 0.936) 9.952 2.003 ( 5.222 8.491 -3.523) 10.572 2.160 ( 2.775 -2.228 -5.494) 6.546 2.229 ( 2.471 9.137 -14.335) 17.178 2.320 ( 14.069 -0.804 2.962) 14.400 2.393 ( 10.038 0.813 4.688) 11.108 2.721 ( 1.616 0.589 6.233) 6.466 2.817 ( -3.036 0.428 2.895) 4.217 3.012 ( -0.465 -0.633 -2.266) 2.398 3.074 ( 11.538 5.725 5.273) 13.918 3.134 ( -1.129 2.023 0.691) 2.417 3.179 ( 2.162 0.668 4.397) 4.945 3.294 ( -0.697 -0.368 24.188) 24.201 3.393 ( -5.838 -5.174 16.258) 18.033 3.851 ( -3.811 1.904 -4.722) 6.360 4.024 ( -9.765 2.839 -4.672) 11.191 4.232 ( 4.023 -2.698 0.132) 4.846 4.286 ( 1.059 4.929 -1.088) 5.157 4.406 ( -4.780 5.568 -1.596) 7.510 4.679 ( 16.268 -11.963 -16.956) 26.368 4.908 ( 3.732 -2.516 4.566) 6.412 5.054 ( -6.756 -12.712 -3.986) 14.938 5.198 ( -7.293 -9.603 3.334) 12.511 5.308 ( 12.299 -3.094 -7.398) 14.682 5.529 ( 8.218 -6.670 2.033) 10.778 5.627 ( 4.813 -5.371 -3.069) 7.838 5.731 ( -2.797 -0.882 -1.321) 3.216 5.968 ( 1.844 1.919 -2.983) 3.998 6.235 ( 2.725 -4.854 1.783) 5.845 6.374 ( 3.296 1.149 1.636) 3.855 6.467 ( -2.168 4.106 0.654) 4.689 6.640 ( -3.911 0.808 -0.373) 4.011 6.694 ( -2.545 -8.337 1.016) 8.776 6.895 ( -0.016 4.746 12.707) 13.564 6.981 ( 1.271 -1.233 -0.306) 1.797 7.264 ( -2.593 -0.153 0.902) 2.749 7.433 ( 1.216 0.635 -4.411) 4.619 7.502 ( -4.046 -0.709 -6.084) 7.341 7.844 ( -0.508 0.279 -11.000) 11.015 8.081 ( -0.896 4.464 2.572) 5.229 8.285 ( -5.591 3.976 -4.850) 8.402 8.328 ( 1.777 4.177 5.056) 6.795 8.554 ( -8.084 4.675 0.522) 9.353 8.583 ( -6.704 7.126 2.644) 10.135 8.789 ( -4.176 9.961 -0.335) 10.806 8.846 ( -5.019 11.063 1.755) 12.274 8.984 ( -6.261 0.372 -2.144) 6.629 9.101 ( 2.189 1.883 5.049) 5.816 9.141 ( -5.499 5.331 2.128) 7.949 9.405 ( 2.023 4.535 2.968) 5.785 9.945 ( 2.768 -3.191 -5.983) 7.324 10.004 ( 3.842 -6.858 0.404) 7.871 10.317 ( -0.721 -2.753 3.391) 4.427 10.552 ( 0.389 -6.798 4.632) 8.235 10.624 ( 1.441 7.008 -4.427) 8.413 10.871 ( 5.900 3.441 -0.612) 6.857 12.244 ( -0.973 -0.895 3.501) 3.742 12.448 ( 1.315 -2.373 -3.631) 4.533 12.593 ( -3.636 1.685 0.026) 4.008 12.852 ( 1.255 0.241 4.235) 4.423 13.140 ( -1.035 -3.122 -2.527) 4.148 13.228 ( 0.058 -5.289 -0.740) 5.340 14.381 ( -7.014 5.779 2.610) 9.455 14.737 ( -8.910 0.251 -7.646) 11.744 14.944 ( -1.038 5.947 1.608) 6.247 15.341 ( 5.984 2.475 4.229) 7.734 15.687 ( 2.071 -7.984 -1.036) 8.313 15.780 ( 9.969 -2.734 4.178) 11.149 15.944 ( -5.357 -7.347 4.181) 10.007 16.245 ( -3.031 -4.337 4.282) 6.807 16.431 ( 5.563 -8.173 0.156) 9.888 16.675 ( 2.477 2.510 -1.692) 3.911 16.878 ( 8.587 -11.211 -5.507) 15.158 17.091 ( 3.972 4.510 4.207) 7.335 17.295 ( 3.616 -10.364 -3.231) 11.442 17.494 ( -1.180 -1.719 1.220) 2.416 17.791 ( 9.331 -6.320 -0.818) 11.300 17.837 ( 4.161 -1.369 0.425) 4.401 18.266 ( -5.571 3.903 2.069) 7.110 18.532 ( 8.112 -3.081 -0.256) 8.681 18.788 ( -4.989 6.049 -0.229) 7.844 18.963 ( -0.497 5.470 4.949) 7.393 19.754 ( 11.814 -1.196 -3.290) 12.322 19.827 ( 5.308 -7.438 -0.675) 9.162 20.295 ( -12.189 -7.770 -1.013) 14.490 20.641 ( 2.648 4.941 1.215) 5.736 20.885 ( 14.195 -15.139 -2.215) 20.871 21.073 ( 8.271 -19.537 -2.114) 21.321 22.509 ( -1.595 -4.824 2.421) 5.628 23.044 ( 2.876 -14.187 -5.819) 15.601 24.574 ( -16.215 15.039 -10.692) 24.565 24.809 ( -3.100 13.727 12.434) 18.779 25.583 ( -5.493 14.413 4.490) 16.065 25.749 ( -4.640 3.185 1.311) 5.779 26.361 ( -3.395 3.673 -2.491) 5.588 26.394 ( -2.656 7.001 -0.833) 7.535 ======================= Grid point 87 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -7.107 12.864 -3.859) 15.194 1.180 ( -8.854 13.476 -12.935) 20.671 1.443 ( 0.145 -1.176 -16.173) 16.216 1.606 ( -11.883 -2.169 -18.138) 21.792 1.665 ( 2.707 7.348 -10.210) 12.867 1.787 ( 6.517 1.574 -8.166) 10.565 1.839 ( 0.786 -5.358 -8.388) 9.984 1.920 ( -1.012 4.007 0.176) 4.136 2.062 ( 1.297 5.549 -9.722) 11.269 2.275 ( -1.782 -5.474 0.968) 5.838 2.639 ( 9.296 -7.915 5.080) 13.224 2.662 ( 11.517 -7.820 -2.545) 14.152 2.743 ( 3.349 -2.854 1.039) 4.521 2.813 ( 1.489 -0.637 2.529) 3.003 2.942 ( -4.129 3.172 -3.174) 6.098 3.043 ( 2.476 4.363 0.547) 5.046 3.122 ( 0.901 1.639 1.751) 2.562 3.178 ( 0.559 4.486 12.654) 13.437 3.422 ( 1.205 -1.412 28.508) 28.568 3.517 ( -3.270 -6.041 21.057) 22.150 3.623 ( -7.917 9.116 0.359) 12.079 3.802 ( -9.338 5.714 2.594) 11.250 4.063 ( -0.627 1.210 -7.467) 7.591 4.332 ( -1.904 0.199 -7.930) 8.158 4.583 ( 7.994 -7.212 -1.019) 10.815 4.881 ( 1.850 -2.090 -1.236) 3.053 5.089 ( 3.542 -5.098 -1.932) 6.501 5.172 ( 5.478 -7.483 -8.597) 12.646 5.305 ( -4.055 -5.983 3.374) 7.976 5.495 ( 9.148 -6.645 -5.359) 12.513 5.644 ( -2.774 2.525 -1.239) 3.950 5.735 ( 6.896 -4.901 -0.790) 8.497 5.796 ( 2.138 -5.049 -0.745) 5.533 5.940 ( 2.551 3.164 -1.030) 4.193 6.198 ( -10.439 7.939 4.771) 13.956 6.369 ( 1.296 -4.232 -0.492) 4.453 6.410 ( -1.183 2.331 -0.041) 2.614 6.544 ( -4.205 3.257 -2.309) 5.799 6.725 ( -2.845 0.770 -3.357) 4.467 6.919 ( 3.602 -2.900 0.683) 4.674 7.001 ( -1.897 -0.343 7.198) 7.452 7.289 ( 0.922 -1.719 0.447) 2.001 7.431 ( -4.255 -2.823 0.447) 5.126 7.471 ( 6.919 2.001 -4.920) 8.722 7.781 ( 2.214 4.712 -11.358) 12.494 8.069 ( -0.422 -2.800 3.661) 4.628 8.207 ( -1.603 -0.308 -4.548) 4.832 8.272 ( -0.157 3.098 1.537) 3.462 8.376 ( -8.474 5.246 1.264) 10.046 8.478 ( -1.190 -1.299 2.237) 2.847 8.567 ( -2.020 9.053 -0.461) 9.287 8.645 ( -2.568 5.993 0.800) 6.569 8.923 ( -1.845 1.006 -0.931) 2.299 9.017 ( -2.339 2.966 0.980) 3.902 9.157 ( 0.226 -2.304 7.468) 7.819 9.371 ( 0.404 1.585 2.443) 2.940 9.972 ( -0.490 -1.278 -8.446) 8.556 10.141 ( 1.657 -4.074 2.210) 4.922 10.343 ( -0.698 -0.636 2.874) 3.025 10.448 ( 1.256 7.060 -2.383) 7.556 10.722 ( 0.016 -3.740 1.660) 4.091 10.906 ( 2.756 -0.949 -0.219) 2.923 12.255 ( -0.211 -0.098 0.809) 0.842 12.515 ( -1.162 2.992 3.590) 4.815 12.536 ( 1.065 -5.384 -5.685) 7.902 12.872 ( 1.555 1.180 6.290) 6.585 13.154 ( -1.956 -0.586 -2.377) 3.134 13.298 ( 0.360 -2.667 -1.587) 3.124 14.265 ( -2.509 0.850 -1.021) 2.839 14.641 ( -6.712 -1.763 -5.595) 8.914 14.826 ( 0.169 6.300 -0.651) 6.335 15.385 ( 6.222 1.869 8.071) 10.361 15.812 ( 1.975 -3.879 -0.336) 4.366 15.889 ( 4.617 0.542 3.187) 5.636 16.023 ( -5.949 -6.394 4.585) 9.864 16.241 ( -3.727 3.285 7.504) 8.999 16.536 ( -1.149 -3.971 -1.311) 4.337 16.657 ( 2.438 -0.090 -0.286) 2.456 16.970 ( 2.524 4.876 -11.467) 12.713 17.172 ( 8.037 -4.818 1.617) 9.509 17.463 ( -0.639 -1.135 -0.610) 1.438 17.556 ( 2.370 -6.403 5.686) 8.885 17.902 ( 1.775 -2.313 -0.488) 2.957 17.975 ( 0.493 -0.042 2.158) 2.214 18.243 ( 3.165 -7.690 -1.276) 8.413 18.558 ( -5.126 11.865 -3.653) 13.431 18.657 ( 5.062 -1.538 0.875) 5.362 18.883 ( -3.829 1.879 5.124) 6.667 19.806 ( 5.796 0.946 -5.046) 7.743 19.967 ( 1.589 -2.822 -0.575) 3.289 20.286 ( -4.234 -2.589 1.022) 5.067 20.552 ( -1.301 4.647 -1.399) 5.024 21.334 ( 9.248 -13.962 -0.640) 16.759 21.448 ( 4.368 -10.387 -0.551) 11.281 22.574 ( -0.162 -3.233 -4.952) 5.916 23.333 ( 6.214 -10.595 5.795) 13.581 24.144 ( -12.476 9.639 -12.183) 19.924 24.585 ( -0.367 10.031 8.227) 12.979 25.317 ( -3.971 8.424 3.387) 9.910 25.686 ( -0.554 1.571 3.683) 4.042 26.200 ( -6.125 2.300 -8.196) 10.487 26.358 ( 2.316 1.116 3.882) 4.656 ======================= Grid point 88 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 4.744 -7.430 -15.294) 17.653 1.151 ( 4.424 -14.490 -11.128) 18.798 1.391 ( -6.230 -6.480 -18.571) 20.632 1.492 ( 7.545 6.787 -11.315) 15.200 1.608 ( 3.627 -8.872 -14.660) 17.516 1.733 ( -2.697 8.808 -3.468) 9.843 1.847 ( -1.545 -0.708 -1.076) 2.011 1.968 ( 2.814 -4.171 -3.760) 6.282 2.039 ( 1.206 -4.197 -8.324) 9.399 2.323 ( -1.901 -1.891 -0.723) 2.777 2.604 ( -8.860 9.099 -2.286) 12.904 2.704 ( -7.469 7.389 2.410) 10.779 2.734 ( -3.631 2.729 3.566) 5.775 2.807 ( -2.281 2.785 7.290) 8.130 2.850 ( -5.199 1.875 -1.545) 5.739 3.073 ( 4.480 -1.268 0.111) 4.658 3.107 ( 0.439 0.757 2.048) 2.227 3.170 ( 1.183 2.582 13.369) 13.667 3.498 ( -2.343 2.044 22.221) 22.437 3.539 ( 6.132 -3.740 5.304) 8.929 3.671 ( 1.236 -9.459 7.094) 11.888 3.866 ( 1.888 -10.683 6.825) 12.817 4.067 ( 3.697 -2.976 -5.059) 6.937 4.283 ( -0.738 0.295 -9.634) 9.667 4.549 ( -9.113 7.905 -0.660) 12.082 4.916 ( -2.025 1.407 1.640) 2.961 5.045 ( 0.120 5.532 -4.821) 7.339 5.269 ( -4.425 5.849 2.053) 7.617 5.306 ( 3.850 1.625 -6.084) 7.381 5.506 ( -6.137 4.640 -5.401) 9.400 5.657 ( 2.929 -2.738 -6.212) 7.394 5.815 ( 5.049 6.104 -1.354) 8.036 5.835 ( -4.826 1.748 -4.784) 7.017 5.928 ( 0.732 -7.143 0.422) 7.193 6.026 ( -4.183 2.560 11.453) 12.459 6.303 ( -6.937 5.394 2.798) 9.222 6.403 ( 3.439 -0.578 0.013) 3.488 6.530 ( 2.742 -1.792 -3.887) 5.083 6.688 ( -3.472 -1.532 -3.940) 5.471 6.931 ( -2.436 -0.013 -1.859) 3.064 7.088 ( 0.699 -1.586 11.980) 12.104 7.304 ( -0.295 -1.189 -3.276) 3.497 7.449 ( 2.577 -1.952 -2.123) 3.867 7.516 ( 9.679 3.609 -1.796) 10.485 7.716 ( 6.314 3.102 -8.597) 11.108 8.089 ( -7.302 -0.530 -0.122) 7.322 8.173 ( 2.348 -2.191 1.596) 3.586 8.230 ( -3.963 2.343 -4.046) 6.129 8.397 ( 6.184 -8.583 0.853) 10.613 8.488 ( 4.846 -0.713 3.594) 6.076 8.549 ( -0.566 -4.512 -0.674) 4.597 8.647 ( 3.233 -6.348 0.653) 7.153 8.913 ( 1.963 -0.492 -0.745) 2.156 9.004 ( 1.033 -1.467 1.396) 2.273 9.206 ( -0.998 -1.209 7.958) 8.111 9.375 ( -1.836 -2.317 1.353) 3.251 9.943 ( -2.195 -0.130 -8.460) 8.741 10.179 ( -1.565 1.395 4.571) 5.028 10.342 ( 2.246 4.556 -2.612) 5.712 10.378 ( 0.844 -1.065 2.428) 2.783 10.703 ( -5.087 2.512 0.121) 5.674 10.933 ( -0.744 -0.531 -0.034) 0.915 12.235 ( 0.681 2.964 0.728) 3.127 12.466 ( -2.472 0.183 0.088) 2.481 12.632 ( 1.661 -3.832 -3.202) 5.263 12.872 ( 2.026 3.179 8.142) 8.972 13.109 ( -3.306 1.263 -3.319) 4.852 13.320 ( 1.583 0.909 -1.399) 2.300 14.312 ( 3.608 -5.724 -1.683) 6.972 14.643 ( -2.868 -5.876 -5.545) 8.574 14.737 ( -1.699 2.472 0.689) 3.078 15.428 ( 5.125 3.239 7.982) 10.023 15.853 ( -0.133 0.861 -1.346) 1.603 15.885 ( 1.213 3.660 3.435) 5.164 16.060 ( -7.717 -3.411 2.177) 8.714 16.139 ( 2.364 7.597 8.826) 11.883 16.616 ( 0.232 -4.458 1.022) 4.580 16.686 ( -0.424 -1.378 -0.348) 1.483 16.835 ( -1.896 5.263 -9.889) 11.361 17.276 ( 1.798 0.597 -2.612) 3.227 17.450 ( -0.901 -0.239 1.581) 1.835 17.558 ( -5.871 10.371 5.872) 13.286 17.894 ( -0.984 1.893 -1.563) 2.644 17.945 ( -2.997 2.135 1.826) 4.108 18.295 ( -0.704 3.523 -0.173) 3.596 18.504 ( 5.820 -8.585 -3.451) 10.931 18.689 ( 0.766 1.100 -0.026) 1.341 18.851 ( -4.782 -1.536 5.064) 7.132 19.831 ( 0.506 -0.930 -5.136) 5.244 19.951 ( -4.473 1.598 -0.212) 4.755 20.335 ( 5.619 -0.242 1.592) 5.845 20.483 ( -2.728 -0.857 -2.076) 3.534 21.353 ( -7.782 13.734 -0.700) 15.801 21.425 ( -5.246 10.968 -0.462) 12.167 22.539 ( -1.669 6.637 -4.099) 7.977 23.600 ( 10.884 -8.978 12.096) 18.584 23.933 ( -5.690 1.386 -17.961) 18.892 24.584 ( 7.642 -4.660 7.017) 11.373 25.298 ( 1.552 -6.875 2.820) 7.591 25.716 ( 2.723 -2.664 5.105) 6.370 26.132 ( -2.925 -2.409 -7.284) 8.211 26.413 ( 3.585 -2.888 1.951) 5.000 ======================= Grid point 89 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -13.919 -1.913 -18.698) 23.389 1.115 ( 4.414 5.703 -14.541) 16.231 1.428 ( -0.058 6.049 -0.682) 6.087 1.516 ( -3.002 10.486 -1.119) 10.965 1.709 ( 7.896 17.604 0.753) 19.308 1.796 ( -3.577 -14.478 -2.892) 15.191 1.861 ( 4.946 -8.606 -8.915) 13.342 2.053 ( 0.414 -2.755 -0.752) 2.885 2.111 ( -2.843 -12.719 -4.999) 13.959 2.272 ( -8.013 1.407 -6.228) 10.246 2.419 ( -12.496 0.737 1.080) 12.564 2.454 ( -2.657 -6.416 -3.924) 7.977 2.645 ( -6.799 8.109 20.094) 22.710 2.788 ( 0.183 -0.562 -1.123) 1.269 2.816 ( -1.407 -0.918 0.408) 1.729 3.086 ( 1.030 1.997 9.888) 10.140 3.111 ( 1.291 0.569 -0.048) 1.412 3.173 ( -3.271 -1.053 4.696) 5.819 3.426 ( -5.487 4.928 10.044) 12.461 3.684 ( 3.118 -2.586 4.675) 6.186 3.847 ( -4.000 -3.415 4.174) 6.714 4.102 ( 5.567 -4.357 -4.166) 8.206 4.173 ( 7.920 -6.787 -5.866) 11.967 4.262 ( -7.809 8.552 0.707) 11.602 4.426 ( 9.145 -15.253 3.049) 18.044 4.646 ( -8.507 15.714 -4.034) 18.319 5.001 ( 5.595 4.665 -1.762) 7.494 5.063 ( -9.552 6.655 -4.757) 12.576 5.226 ( 3.259 6.331 -4.354) 8.346 5.335 ( -5.676 5.637 -4.165) 9.019 5.525 ( -14.058 3.815 -6.728) 16.045 5.655 ( -3.054 10.295 -2.423) 11.008 5.812 ( 2.419 0.915 -3.227) 4.135 6.019 ( -5.043 -5.301 -1.044) 7.391 6.102 ( 4.269 -3.083 14.917) 15.819 6.202 ( -0.941 1.438 -0.194) 1.730 6.478 ( 0.969 -0.023 2.195) 2.399 6.513 ( 0.715 3.070 -2.761) 4.190 6.691 ( -0.452 -2.464 -0.521) 2.559 6.871 ( -5.199 2.785 2.839) 6.546 7.030 ( -3.349 5.800 7.415) 9.992 7.368 ( 5.057 -0.945 -2.412) 5.682 7.528 ( 7.099 -0.549 -2.168) 7.443 7.531 ( 5.262 2.090 -4.023) 6.945 7.706 ( 8.118 3.932 -7.198) 11.540 8.090 ( -8.848 -10.160 -2.354) 13.677 8.211 ( 6.862 -0.207 -3.534) 7.721 8.279 ( 2.188 -4.824 3.968) 6.619 8.592 ( 2.673 -6.180 0.528) 6.754 8.657 ( 3.958 -10.164 1.063) 10.959 8.705 ( 13.521 -6.210 2.240) 15.047 8.833 ( 0.996 -8.311 0.566) 8.390 9.005 ( 5.726 -6.781 -2.169) 9.136 9.067 ( -0.018 -3.448 2.880) 4.493 9.249 ( -0.777 -2.310 8.663) 9.000 9.428 ( -0.970 -5.926 -2.733) 6.598 9.883 ( -4.526 0.516 -6.074) 7.592 10.086 ( -3.701 7.417 5.864) 10.153 10.290 ( 2.968 3.393 1.636) 4.796 10.407 ( -0.762 2.535 3.571) 4.445 10.591 ( -4.046 0.571 -4.413) 6.014 10.923 ( -4.333 -2.901 -0.698) 5.261 12.178 ( 1.354 4.830 2.560) 5.632 12.453 ( -1.923 -1.712 -1.868) 3.181 12.679 ( 1.603 -0.541 -2.387) 2.926 12.860 ( 3.356 3.790 7.487) 9.038 13.037 ( -4.200 0.901 -3.879) 5.788 13.290 ( 2.585 4.259 -1.044) 5.090 14.499 ( 7.148 -7.764 -0.050) 10.553 14.713 ( -4.042 -2.274 5.695) 7.344 14.746 ( -0.919 -9.438 -7.976) 12.391 15.401 ( 1.968 6.300 4.240) 7.845 15.754 ( -1.864 8.128 -2.068) 8.592 15.822 ( 0.488 6.441 7.219) 9.687 15.978 ( -6.282 1.765 -1.356) 6.664 16.121 ( 5.894 4.139 6.367) 9.613 16.547 ( -1.823 10.463 -3.444) 11.165 16.645 ( -6.177 4.654 -0.279) 7.739 16.819 ( -5.016 -5.225 -0.105) 7.244 17.093 ( -12.230 17.227 1.753) 21.199 17.258 ( 1.574 3.997 -5.033) 6.617 17.493 ( 1.109 -0.643 2.509) 2.817 17.794 ( -6.505 4.729 -0.149) 8.043 17.856 ( -1.954 1.492 0.194) 2.466 18.367 ( 3.011 -3.224 1.392) 4.626 18.659 ( -4.385 -7.051 -0.504) 8.319 18.671 ( 4.740 0.627 0.739) 4.838 18.880 ( -3.404 -4.841 4.320) 7.327 19.777 ( -5.306 3.988 -2.697) 7.165 19.834 ( -8.302 4.556 -0.855) 9.509 20.369 ( 13.097 8.360 -1.728) 15.633 20.507 ( -7.039 -5.927 1.098) 9.267 20.905 ( -8.357 19.225 -2.381) 21.097 21.027 ( -12.791 17.437 -1.306) 21.665 22.289 ( -3.028 15.631 0.795) 15.942 23.750 ( -0.952 7.679 -14.036) 16.027 24.000 ( 13.774 -14.871 7.176) 21.503 24.897 ( 10.770 -13.705 4.536) 18.011 25.536 ( 4.492 -12.647 2.162) 13.594 25.872 ( 4.968 -7.953 7.295) 11.881 26.161 ( -0.386 -4.340 -6.600) 7.909 26.541 ( 4.218 -6.200 -0.520) 7.517 ======================= Grid point 90 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -6.946 5.144 -1.913) 8.853 1.037 ( -5.110 9.892 15.033) 18.707 1.202 ( -10.976 11.223 4.671) 16.378 1.316 ( -2.642 7.398 0.966) 7.915 1.320 ( 1.218 14.801 1.861) 14.967 1.686 ( -8.273 12.782 -1.602) 15.310 1.950 ( -4.716 -0.764 -10.391) 11.437 2.028 ( -14.142 1.343 2.493) 14.423 2.097 ( -6.516 4.831 -3.585) 8.868 2.255 ( -2.887 -2.813 -2.312) 4.647 2.391 ( -7.494 6.638 13.890) 17.122 2.470 ( -3.968 6.020 8.495) 11.142 2.564 ( -3.273 -2.618 -3.041) 5.178 2.760 ( -1.436 1.204 1.625) 2.481 2.841 ( 1.167 -0.932 -0.113) 1.497 3.106 ( 1.910 0.593 7.000) 7.280 3.126 ( 1.982 -0.522 0.824) 2.209 3.167 ( -6.426 -3.411 1.272) 7.385 3.401 ( -2.609 -5.011 1.895) 5.959 3.655 ( -6.626 2.933 -2.231) 7.582 3.915 ( 4.394 -7.960 8.815) 12.663 4.032 ( 3.164 5.671 -13.780) 15.233 4.176 ( -0.687 -5.405 -0.938) 5.529 4.367 ( 2.846 7.773 -0.962) 8.333 4.534 ( 7.812 -9.970 -2.452) 12.901 4.759 ( 4.398 -5.469 -1.789) 7.242 4.916 ( 5.575 -4.651 -11.187) 13.336 4.998 ( 6.373 1.945 -0.875) 6.721 5.171 ( -0.333 -0.957 -7.625) 7.692 5.188 ( -3.280 4.359 2.628) 6.055 5.296 ( -14.221 2.535 -0.623) 14.459 5.422 ( -3.306 8.240 -5.409) 10.397 5.835 ( 0.965 -1.202 1.125) 1.908 6.039 ( -6.125 -3.652 -2.893) 7.696 6.086 ( -2.335 6.941 -2.317) 7.681 6.271 ( 2.302 -2.049 11.425) 11.833 6.359 ( -5.490 3.633 -2.145) 6.923 6.475 ( -1.674 4.414 3.675) 5.982 6.702 ( -1.554 4.980 7.818) 9.399 6.793 ( 2.113 2.539 3.003) 4.465 6.964 ( -1.358 -0.453 1.689) 2.214 7.375 ( 1.323 3.025 2.505) 4.144 7.490 ( 0.660 3.034 -0.968) 3.252 7.625 ( 5.182 -2.929 -6.064) 8.498 7.718 ( 11.244 3.954 -6.334) 13.497 8.189 ( -8.411 -9.815 -3.294) 13.339 8.290 ( 7.685 3.102 0.528) 8.304 8.410 ( 0.213 -7.362 1.443) 7.505 8.684 ( 2.959 -2.202 2.940) 4.717 8.894 ( 7.188 -3.660 -3.048) 8.623 8.961 ( 8.049 -6.897 1.305) 10.679 8.997 ( 4.791 -11.720 2.208) 12.853 9.125 ( 0.444 -2.645 3.438) 4.361 9.208 ( 2.634 -9.481 -4.879) 10.983 9.327 ( -1.801 -5.473 5.304) 7.831 9.557 ( 3.062 -7.785 -4.749) 9.619 9.800 ( -7.810 -0.140 -3.402) 8.520 9.910 ( -4.010 7.720 5.870) 10.495 10.238 ( -4.012 7.541 3.899) 9.389 10.289 ( 1.068 5.505 4.594) 7.249 10.651 ( 3.511 -8.337 0.726) 9.076 11.013 ( -3.772 -12.987 -0.528) 13.534 12.114 ( 2.728 5.891 6.313) 9.055 12.481 ( 0.017 -3.102 -3.169) 4.434 12.677 ( 3.989 3.119 -1.718) 5.347 12.831 ( 2.592 6.035 3.827) 7.601 12.990 ( -2.645 -1.886 -1.472) 3.567 13.225 ( 1.989 4.820 -1.961) 5.571 14.666 ( 3.073 -3.658 -1.795) 5.104 14.796 ( -1.541 -7.578 13.359) 15.435 14.877 ( -2.106 -6.942 -1.712) 7.454 15.277 ( -0.753 7.999 -0.644) 8.060 15.534 ( -2.798 12.329 -0.632) 12.659 15.655 ( 1.148 18.535 6.669) 19.732 15.894 ( -7.860 -0.803 -7.389) 10.818 16.091 ( -0.400 5.014 0.274) 5.037 16.294 ( -11.981 15.611 -5.032) 20.312 16.311 ( -2.569 10.506 -4.791) 11.829 16.622 ( -1.726 10.335 11.542) 15.589 17.034 ( -4.380 -7.504 8.523) 12.171 17.308 ( 5.397 -5.343 -6.127) 9.758 17.511 ( 0.324 -0.214 -0.271) 0.474 17.678 ( -5.548 1.250 -1.939) 6.009 17.800 ( -3.015 1.954 0.713) 3.663 18.394 ( -3.243 -1.100 0.722) 3.500 18.670 ( -2.510 -5.248 -8.389) 10.209 18.809 ( 3.081 -3.026 6.726) 7.993 18.953 ( -4.413 -5.739 7.114) 10.150 19.535 ( -11.669 12.625 1.264) 17.238 19.600 ( -7.096 10.558 -2.234) 12.916 20.258 ( 11.115 13.522 -5.343) 18.301 20.532 ( -3.899 -3.306 -0.302) 5.121 20.602 ( -1.349 10.244 0.571) 10.348 20.740 ( -10.382 -0.141 -0.736) 10.409 22.009 ( 2.052 14.338 9.277) 17.200 23.563 ( 0.864 6.368 -20.575) 21.555 24.438 ( 15.409 -12.120 13.303) 23.693 25.210 ( 6.820 -8.640 1.167) 11.069 25.795 ( 4.788 -9.655 0.433) 10.786 26.124 ( 4.868 -10.834 10.752) 16.021 26.220 ( 0.402 -3.951 -6.251) 7.406 26.699 ( 3.641 -6.842 -2.946) 8.291 ======================= Grid point 91 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -11.948 11.278 20.757) 26.473 0.750 ( -1.159 9.454 26.233) 27.908 1.095 ( 1.014 5.581 7.965) 9.779 1.126 ( -3.231 6.813 3.411) 8.275 1.269 ( -2.463 -0.019 19.766) 19.919 1.387 ( -9.609 13.220 17.838) 24.193 1.549 ( -16.373 11.486 -1.298) 20.043 1.762 ( -15.166 11.388 -6.410) 20.019 2.015 ( -4.229 12.979 12.968) 18.828 2.090 ( -4.959 7.902 7.682) 12.085 2.222 ( -0.046 0.150 4.001) 4.004 2.411 ( -0.545 2.085 -0.584) 2.232 2.569 ( 0.523 -2.721 -3.900) 4.784 2.764 ( 2.212 -0.126 4.596) 5.102 2.856 ( 1.218 0.362 -0.552) 1.385 3.142 ( 1.248 -0.196 3.637) 3.850 3.161 ( 2.129 -0.106 0.246) 2.146 3.202 ( -7.194 -8.493 1.978) 11.305 3.372 ( -4.863 1.194 -13.614) 14.506 3.627 ( -1.133 -3.548 -6.443) 7.442 3.882 ( 1.134 4.632 -14.372) 15.142 4.253 ( 11.155 -9.923 12.354) 19.379 4.293 ( 5.285 0.335 -0.967) 5.383 4.431 ( 6.841 -9.716 5.846) 13.243 4.512 ( -2.341 2.847 -23.240) 23.530 4.908 ( 1.589 -6.065 -2.366) 6.701 4.973 ( 1.421 2.221 0.081) 2.638 5.069 ( 7.652 5.882 -5.558) 11.137 5.133 ( -2.809 -2.177 2.842) 4.550 5.207 ( 0.595 -1.420 -1.603) 2.223 5.258 ( 3.215 -9.821 -3.731) 10.987 5.391 ( 3.461 -6.032 1.799) 7.183 5.813 ( -8.613 4.508 3.680) 10.395 5.860 ( -3.943 10.852 -3.138) 11.965 6.009 ( -5.659 -3.821 -7.468) 10.119 6.198 ( -6.265 2.665 -6.514) 9.423 6.369 ( -0.861 -0.518 6.934) 7.007 6.407 ( -1.769 1.794 5.378) 5.939 6.614 ( 1.141 5.729 17.403) 18.357 6.796 ( 3.556 1.988 1.102) 4.221 6.975 ( -1.228 -1.274 -1.716) 2.465 7.329 ( -2.815 2.094 4.994) 6.103 7.472 ( -0.895 -1.012 4.747) 4.935 7.682 ( 0.890 -1.838 -8.604) 8.843 7.741 ( 13.660 7.020 -2.816) 15.615 8.145 ( -5.238 7.103 -4.687) 9.993 8.281 ( -0.084 -1.314 3.710) 3.937 8.475 ( -9.398 -2.579 -1.244) 9.825 8.819 ( 4.884 -6.420 5.110) 9.549 8.942 ( 4.783 0.945 -5.651) 7.463 9.027 ( -2.100 4.573 -5.330) 7.330 9.143 ( 4.329 0.767 -8.773) 9.813 9.318 ( 2.639 -9.774 4.757) 11.186 9.364 ( 3.757 -10.246 4.254) 11.713 9.481 ( 1.185 -11.248 -0.518) 11.322 9.686 ( 2.698 0.834 0.636) 2.894 9.726 ( -9.911 -6.332 -0.601) 11.777 9.804 ( -1.399 3.605 1.694) 4.222 10.061 ( -4.425 6.328 0.814) 7.764 10.216 ( 0.766 4.453 -1.837) 4.877 11.041 ( 5.964 -26.939 19.018) 33.510 11.279 ( 0.391 -17.575 -1.574) 17.650 12.083 ( 5.802 3.843 14.747) 16.307 12.518 ( 4.469 1.442 -5.092) 6.927 12.646 ( 7.421 6.411 -1.029) 9.861 12.713 ( -0.105 7.887 0.889) 7.938 13.058 ( 1.527 -5.392 0.484) 5.625 13.163 ( -0.695 1.485 -2.300) 2.825 14.731 ( -0.035 -3.100 2.491) 3.977 14.870 ( -2.542 4.744 5.279) 7.540 14.955 ( -1.114 -2.762 7.431) 8.006 15.096 ( -1.459 13.058 -0.142) 13.140 15.234 ( -6.694 15.169 3.320) 16.909 15.286 ( -6.658 10.766 4.350) 13.385 15.814 ( -1.794 -4.992 -18.490) 19.235 15.995 ( -6.062 -0.547 -10.103) 11.795 16.056 ( -1.561 4.136 0.093) 4.422 16.160 ( 1.202 6.219 -7.349) 9.702 16.596 ( 5.667 0.526 22.128) 22.848 17.116 ( -7.031 -3.868 8.742) 11.867 17.456 ( 6.637 -3.950 -5.289) 9.361 17.512 ( -0.670 -1.218 -3.977) 4.213 17.614 ( -4.075 -0.331 -0.619) 4.135 17.728 ( -3.409 2.582 -0.885) 4.367 18.435 ( -8.122 -11.966 7.091) 16.107 18.729 ( -2.844 -5.163 -7.465) 9.512 18.869 ( 4.792 -0.677 2.439) 5.419 18.981 ( -9.265 -1.764 3.348) 10.008 19.206 ( -5.572 10.580 0.918) 11.993 19.364 ( -7.256 7.514 -4.961) 11.563 20.210 ( 22.471 9.597 4.276) 24.806 20.477 ( -1.465 2.331 0.971) 2.919 20.554 ( -4.188 -2.822 1.056) 5.160 20.676 ( -4.133 -0.056 -1.047) 4.264 22.023 ( 20.348 -4.242 29.447) 36.043 23.404 ( 1.947 8.193 -19.505) 21.245 24.786 ( 12.630 -4.907 12.132) 18.187 25.344 ( 1.441 -2.379 -2.566) 3.784 25.958 ( 3.769 -3.229 -0.029) 4.963 26.255 ( -2.947 -3.199 -7.917) 9.033 26.408 ( 2.143 -11.945 12.942) 17.742 26.823 ( 2.548 -4.353 -4.774) 6.945 ======================= Grid point 93 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 14.396 0.000 21.124) 25.563 0.971 ( 3.768 0.000 25.961) 26.233 1.065 ( 1.101 0.000 2.591) 2.816 1.130 ( 2.170 0.000 0.586) 2.248 1.386 ( 19.541 0.000 0.396) 19.545 1.455 ( 7.104 0.000 -7.343) 10.217 1.783 ( 16.788 0.000 18.664) 25.103 1.981 ( -1.385 -0.000 -7.697) 7.821 2.035 ( 10.068 0.000 15.402) 18.400 2.067 ( 20.987 0.000 27.653) 34.715 2.328 ( 2.780 0.000 7.577) 8.071 2.344 ( -0.948 -0.000 -3.383) 3.514 2.730 ( 7.460 0.000 -4.101) 8.513 2.872 ( -0.269 -0.000 -4.159) 4.168 3.022 ( -6.535 -0.000 -7.952) 10.292 3.037 ( -0.233 -0.000 12.737) 12.739 3.126 ( 3.625 0.000 0.357) 3.643 3.211 ( 1.348 0.000 -3.415) 3.671 3.311 ( 7.159 0.000 5.661) 9.127 3.622 ( 14.626 0.000 -25.603) 29.486 3.725 ( 1.164 0.000 -16.830) 16.870 3.979 ( -8.575 -0.000 -10.214) 13.336 4.362 ( 2.346 0.000 -9.520) 9.805 4.377 ( -5.767 -0.000 -1.954) 6.089 4.583 ( -6.373 -0.000 17.859) 18.963 4.773 ( -15.386 -0.000 -7.419) 17.082 4.879 ( -4.634 -0.000 -1.119) 4.767 5.001 ( -14.470 -0.000 -4.933) 15.288 5.207 ( 6.692 0.000 0.981) 6.763 5.250 ( -5.399 -0.000 0.237) 5.404 5.383 ( -8.934 -0.000 0.158) 8.936 5.540 ( -0.237 -0.000 -5.884) 5.888 5.703 ( 7.732 0.000 3.364) 8.432 5.934 ( -2.730 -0.000 -4.755) 5.483 5.986 ( 12.327 0.000 -0.828) 12.355 6.124 ( 16.760 0.000 -2.345) 16.924 6.324 ( 0.720 0.000 3.814) 3.881 6.381 ( 1.022 0.000 3.974) 4.104 6.770 ( -0.076 -0.000 3.912) 3.913 6.828 ( 0.406 0.000 2.548) 2.580 7.043 ( 1.156 0.000 14.626) 14.671 7.419 ( -1.834 -0.000 -14.486) 14.602 7.434 ( -5.595 -0.000 4.445) 7.146 7.590 ( -1.887 -0.000 -0.544) 1.964 7.841 ( -0.958 -0.000 -11.112) 11.154 7.952 ( 4.438 0.000 9.177) 10.193 8.422 ( 2.722 0.000 -1.577) 3.146 8.496 ( 9.857 0.000 2.288) 10.119 8.743 ( -8.077 -0.000 1.225) 8.170 8.869 ( -11.540 -0.000 -5.005) 12.579 8.906 ( -3.293 -0.000 -0.390) 3.316 8.973 ( -3.043 -0.000 -0.264) 3.054 9.374 ( -6.680 -0.000 5.530) 8.672 9.374 ( -11.785 -0.000 -0.821) 11.814 9.513 ( -5.772 -0.000 2.884) 6.452 9.637 ( -1.200 -0.000 -0.659) 1.370 9.822 ( -2.111 -0.000 2.394) 3.192 9.936 ( 8.197 0.000 -2.841) 8.675 9.940 ( 8.719 0.000 -1.431) 8.835 10.188 ( 3.791 0.000 -2.289) 4.428 11.161 ( -14.028 -0.000 10.977) 17.813 11.516 ( -3.685 -0.000 -1.422) 3.950 12.235 ( -2.001 -0.000 -1.005) 2.239 12.406 ( -11.391 -0.000 5.405) 12.608 12.554 ( -3.968 -0.000 -0.034) 3.968 12.662 ( 3.631 0.000 -0.188) 3.636 13.101 ( -3.417 -0.000 -1.348) 3.673 13.128 ( -0.998 -0.000 1.724) 1.992 14.709 ( -5.055 -0.000 10.458) 11.616 14.794 ( -6.889 -0.000 -1.311) 7.013 14.904 ( 4.256 0.000 7.165) 8.333 14.999 ( 7.079 0.000 -1.272) 7.192 15.202 ( -4.655 -0.000 0.515) 4.683 15.411 ( 21.887 0.000 5.899) 22.668 15.530 ( 11.009 0.000 -8.156) 13.701 15.904 ( 2.868 0.000 -10.716) 11.094 16.076 ( 5.990 0.000 0.832) 6.048 16.230 ( 8.597 0.000 -7.367) 11.322 17.018 ( 0.534 0.000 5.045) 5.073 17.080 ( 4.565 0.000 14.604) 15.301 17.297 ( -6.129 -0.000 -5.138) 7.998 17.526 ( -3.150 -0.000 -3.731) 4.883 17.632 ( 5.894 0.000 -2.597) 6.441 17.782 ( 8.179 0.000 0.390) 8.188 18.531 ( 4.277 0.000 5.235) 6.760 18.709 ( -11.301 -0.000 -0.815) 11.331 18.849 ( 7.616 0.000 -2.948) 8.167 19.028 ( -0.013 -0.000 3.995) 3.995 19.118 ( 10.958 0.000 0.053) 10.958 19.350 ( 11.332 0.000 1.130) 11.388 20.343 ( -1.802 -0.000 -5.777) 6.051 20.526 ( 2.322 0.000 -2.357) 3.308 20.643 ( -2.319 -0.000 1.406) 2.712 20.666 ( 6.984 0.000 1.719) 7.193 22.794 ( -17.148 -0.000 -20.927) 27.056 22.795 ( -16.715 -0.000 26.206) 31.083 24.999 ( -2.752 -0.000 14.220) 14.484 25.135 ( -11.744 -0.000 -11.069) 16.138 25.968 ( -9.607 -0.000 -2.105) 9.835 26.005 ( -3.230 -0.000 5.437) 6.324 26.540 ( 1.111 0.000 7.468) 7.550 26.778 ( -6.824 -0.000 -6.590) 9.487 ======================= Grid point 94 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 7.581 -6.307 16.897) 19.564 1.086 ( 3.139 -0.129 10.440) 10.903 1.182 ( 1.847 -5.283 3.939) 6.844 1.237 ( 4.147 -6.966 4.892) 9.469 1.522 ( 11.295 2.055 -3.782) 12.087 1.584 ( -0.049 -8.090 -11.623) 14.162 1.938 ( -3.632 -2.803 3.810) 5.964 2.097 ( 11.397 -3.317 2.850) 12.207 2.213 ( 5.231 1.168 2.563) 5.941 2.321 ( 5.383 -4.863 6.082) 9.467 2.430 ( 7.510 -5.326 4.037) 10.053 2.522 ( 17.842 -8.153 9.046) 21.602 2.748 ( 14.021 4.722 -2.415) 14.990 2.834 ( -4.919 0.533 -3.757) 6.212 2.950 ( 2.690 -0.235 -4.144) 4.946 3.093 ( -0.655 -1.685 1.556) 2.385 3.144 ( 1.930 0.521 4.741) 5.145 3.276 ( 9.228 -0.232 3.406) 9.839 3.358 ( 6.797 4.111 9.009) 12.011 3.576 ( 7.092 10.304 -0.208) 12.511 3.847 ( 5.527 -7.941 -21.916) 23.956 3.909 ( -2.435 -1.434 -8.814) 9.256 4.210 ( -6.107 5.871 -2.777) 8.915 4.311 ( -4.069 1.015 -5.548) 6.955 4.596 ( -7.485 -0.529 -10.463) 12.875 4.674 ( -6.160 -3.813 8.596) 11.241 4.694 ( -3.356 5.822 5.272) 8.541 4.902 ( -12.421 0.527 -2.408) 12.663 5.172 ( -1.772 3.018 -2.376) 4.230 5.288 ( 11.928 0.360 -2.597) 12.213 5.336 ( 2.652 -2.163 3.805) 5.117 5.498 ( 2.072 0.746 -2.940) 3.674 5.781 ( -4.266 -1.220 0.418) 4.457 5.927 ( 3.951 -1.676 -3.022) 5.249 6.122 ( 5.599 -3.243 -1.613) 6.669 6.293 ( 12.098 -3.812 -1.740) 12.803 6.390 ( 3.577 -2.280 6.160) 7.479 6.458 ( 1.346 -4.255 4.331) 6.219 6.746 ( -0.937 2.768 -1.037) 3.100 6.854 ( 0.208 -2.076 2.356) 3.146 7.069 ( -2.434 2.501 13.840) 14.273 7.320 ( -3.295 1.318 -13.480) 13.939 7.378 ( -5.815 -0.621 2.399) 6.321 7.520 ( -3.545 2.414 1.581) 4.571 7.801 ( -2.222 -0.398 -12.234) 12.441 8.106 ( -1.369 -5.405 7.364) 9.237 8.427 ( -2.650 -0.506 -6.432) 6.975 8.541 ( -4.395 -2.074 2.213) 5.340 8.632 ( -6.363 5.085 -0.341) 8.152 8.678 ( -9.270 3.659 0.968) 10.013 8.935 ( -4.172 -2.322 -0.562) 4.807 8.975 ( -2.488 -1.512 2.795) 4.036 9.138 ( -11.668 6.355 0.975) 13.322 9.315 ( -8.354 5.788 3.229) 10.664 9.382 ( -6.380 6.610 0.482) 9.199 9.539 ( 0.986 3.933 2.498) 4.762 9.827 ( 0.136 -1.195 -4.042) 4.218 10.001 ( 12.123 4.238 -1.178) 12.896 10.101 ( 2.367 -9.895 0.710) 10.198 10.269 ( 7.637 -2.289 1.977) 8.214 10.956 ( -8.140 9.067 7.899) 14.522 11.301 ( -5.183 14.423 -1.999) 15.456 12.200 ( -2.751 -1.320 2.931) 4.231 12.365 ( -5.621 -2.940 -2.912) 6.980 12.605 ( -2.157 -4.256 1.793) 5.097 12.730 ( 2.291 -4.350 0.843) 4.988 13.049 ( -1.800 0.961 -2.786) 3.453 13.128 ( 1.738 -0.235 2.342) 2.926 14.628 ( -10.338 5.441 12.023) 16.764 14.701 ( -11.838 -2.094 -5.913) 13.398 14.927 ( -4.961 -2.800 1.099) 5.802 15.199 ( 11.501 -5.164 -1.490) 12.695 15.297 ( 3.603 -12.481 5.671) 14.175 15.667 ( 16.246 -4.535 1.838) 16.967 15.875 ( 13.638 -3.776 1.390) 14.219 15.952 ( 11.840 -12.615 -7.201) 18.740 16.186 ( 11.678 -3.445 -0.168) 12.177 16.284 ( 9.053 0.695 -5.934) 10.847 17.040 ( 3.033 -1.523 -3.923) 5.187 17.066 ( -0.480 7.618 10.769) 13.200 17.227 ( -1.718 1.634 1.567) 2.842 17.490 ( -1.760 0.232 -3.474) 3.901 17.701 ( 6.960 -0.801 -1.066) 7.087 17.855 ( 7.081 1.265 0.559) 7.215 18.497 ( -7.510 6.973 -0.322) 10.254 18.565 ( 8.862 4.942 2.664) 10.491 18.896 ( -1.625 0.269 -0.899) 1.877 19.100 ( 5.783 -0.317 6.541) 8.736 19.318 ( 10.519 -10.051 -0.796) 14.570 19.522 ( 7.422 -7.950 -0.043) 10.876 20.231 ( -1.584 7.419 -7.448) 10.632 20.579 ( 0.305 -0.805 1.444) 1.681 20.692 ( 3.433 -7.956 -1.679) 8.826 20.787 ( 12.682 -2.169 2.039) 13.027 22.558 ( -15.343 1.743 -18.924) 24.425 22.670 ( -0.262 2.031 20.172) 20.276 24.924 ( -16.422 3.885 -12.733) 21.140 25.043 ( -6.276 -2.134 13.856) 15.360 25.827 ( -11.537 2.353 -1.181) 11.833 25.949 ( -4.531 4.058 7.067) 9.324 26.528 ( -0.652 4.462 3.295) 5.585 26.627 ( -8.698 4.075 -6.780) 11.757 ======================= Grid point 95 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.936 -2.980 -3.649) 4.804 1.302 ( -1.595 -12.724 0.574) 12.836 1.385 ( 4.640 -11.254 7.166) 14.126 1.404 ( -1.144 -12.189 1.788) 12.372 1.476 ( -3.240 1.149 -16.450) 16.805 1.695 ( -0.479 -7.643 -12.289) 14.480 2.009 ( -1.536 -1.935 12.567) 12.807 2.128 ( 0.449 3.114 -1.608) 3.533 2.183 ( -1.020 3.281 0.144) 3.439 2.386 ( 3.238 7.907 -8.554) 12.090 2.476 ( 2.206 3.582 4.712) 6.317 2.601 ( 8.642 8.917 -4.472) 13.198 2.769 ( -2.284 1.400 -1.134) 2.909 2.844 ( 0.181 4.790 0.157) 4.796 2.983 ( -1.050 -0.710 -1.541) 1.996 3.116 ( -1.664 -2.646 2.045) 3.735 3.197 ( 5.609 1.801 9.677) 11.329 3.277 ( -0.019 3.697 -2.967) 4.740 3.412 ( 3.454 3.071 7.111) 8.481 3.544 ( 17.023 8.468 28.057) 33.892 3.797 ( -7.650 -1.124 -8.902) 11.791 3.935 ( -2.219 1.748 -7.547) 8.059 4.239 ( 14.216 -7.365 0.554) 16.020 4.347 ( -5.331 6.656 -2.372) 8.851 4.431 ( -6.679 0.572 -4.004) 7.808 4.550 ( 7.309 -8.445 -11.290) 15.881 4.808 ( -2.448 -6.553 -5.956) 9.188 4.916 ( 9.519 -7.460 9.239) 15.219 5.137 ( 4.213 1.396 -0.626) 4.482 5.393 ( 8.449 -1.446 -4.754) 9.802 5.512 ( 9.313 -5.064 2.630) 10.923 5.602 ( 10.379 -5.632 -1.938) 11.967 5.713 ( -2.747 1.350 0.400) 3.087 5.986 ( 1.585 -1.365 -2.738) 3.445 6.215 ( 1.777 -2.325 2.099) 3.601 6.434 ( 2.457 -0.219 1.207) 2.746 6.491 ( -1.285 -2.512 5.102) 5.830 6.513 ( 2.212 -2.327 -3.023) 4.410 6.669 ( -2.321 3.429 0.518) 4.173 6.928 ( 1.320 -4.870 0.625) 5.084 6.981 ( -5.663 4.112 6.364) 9.460 7.245 ( -2.120 0.895 -2.892) 3.695 7.370 ( -3.958 -2.968 -0.989) 5.045 7.481 ( -0.342 -0.040 -2.245) 2.271 7.737 ( -4.939 -1.580 -10.889) 12.061 8.087 ( -8.438 1.511 5.678) 10.282 8.293 ( -8.981 4.609 -6.696) 12.113 8.445 ( -3.888 5.710 1.089) 6.994 8.554 ( -6.469 2.733 1.426) 7.166 8.589 ( -5.759 -1.153 2.555) 6.405 8.836 ( -5.942 4.483 -1.666) 7.628 8.895 ( -9.185 4.024 2.002) 10.226 8.939 ( -8.211 3.098 -1.882) 8.975 9.166 ( -8.346 6.066 6.912) 12.419 9.178 ( -4.341 4.712 2.049) 6.726 9.507 ( 1.944 3.972 0.584) 4.461 9.886 ( 0.570 -5.766 -1.611) 6.013 10.051 ( 12.787 3.718 -2.680) 13.584 10.270 ( 1.530 -4.861 2.346) 5.610 10.440 ( 6.248 -7.282 4.129) 10.446 10.759 ( -2.288 8.421 -1.701) 8.890 11.029 ( -1.398 9.212 -0.285) 9.321 12.213 ( -2.221 -1.917 1.119) 3.140 12.380 ( 0.002 -3.178 -2.927) 4.320 12.623 ( -0.572 1.046 2.392) 2.673 12.840 ( 1.061 -4.407 2.770) 5.313 13.037 ( -0.730 -2.483 -4.230) 4.959 13.189 ( 3.110 -2.556 1.699) 4.370 14.432 ( -8.926 6.969 5.125) 12.430 14.585 ( -12.419 -1.900 -5.576) 13.745 14.942 ( -6.703 -3.084 7.914) 10.820 15.335 ( 4.265 -1.101 -4.253) 6.123 15.583 ( 6.976 -9.944 0.957) 12.184 15.848 ( 5.380 -2.990 0.901) 6.220 15.982 ( 11.018 0.171 3.588) 11.589 16.217 ( 6.521 0.352 4.593) 7.984 16.339 ( 4.966 -6.709 -4.387) 9.430 16.614 ( 18.838 -14.414 -7.140) 24.771 16.934 ( 2.149 7.384 4.913) 9.126 17.160 ( 6.531 -7.739 -8.387) 13.149 17.221 ( 4.839 1.788 8.240) 9.722 17.460 ( -2.138 -0.215 -1.431) 2.581 17.801 ( 7.862 -2.780 -0.738) 8.372 17.895 ( 5.774 1.357 -0.377) 5.943 18.305 ( -6.255 5.839 1.280) 8.652 18.626 ( 11.357 1.627 1.853) 11.622 18.813 ( -6.027 3.718 0.610) 7.108 19.109 ( 2.772 6.531 6.525) 9.640 19.654 ( 4.914 -15.312 -0.207) 16.083 19.760 ( 1.580 -12.237 -0.263) 12.342 20.051 ( -4.059 5.428 -9.189) 11.418 20.555 ( -8.903 -1.194 2.335) 9.281 20.995 ( 20.194 -12.236 -3.841) 23.922 21.018 ( 23.980 -2.729 1.798) 24.202 22.423 ( -3.612 -3.804 -13.265) 14.265 22.835 ( 5.637 -10.115 14.241) 18.355 24.571 ( -20.065 9.750 -13.495) 26.073 24.962 ( -9.094 6.537 10.158) 15.120 25.662 ( -12.350 2.204 -1.201) 12.602 25.815 ( -3.178 8.403 10.938) 14.155 26.342 ( -11.139 5.533 -9.918) 15.908 26.498 ( -0.890 5.287 2.975) 6.131 ======================= Grid point 96 (38/95) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.953 2.684 -21.385) 22.359 1.311 ( -2.690 10.799 -4.522) 12.012 1.364 ( -9.341 -4.725 -14.379) 17.786 1.480 ( -6.624 7.668 -1.841) 10.298 1.645 ( -0.423 -2.574 -2.029) 3.305 1.690 ( -3.050 -8.872 1.022) 9.437 1.973 ( 2.377 6.396 -0.684) 6.858 2.022 ( -1.757 7.790 0.102) 7.986 2.120 ( -0.592 -1.481 -7.572) 7.738 2.229 ( 2.975 7.081 -9.285) 12.050 2.503 ( -3.527 -8.690 4.508) 10.406 2.539 ( -1.987 -5.995 -2.151) 6.672 2.723 ( -1.700 0.930 0.864) 2.121 2.787 ( -2.137 -0.854 1.664) 2.840 2.939 ( -3.492 2.014 -2.108) 4.549 3.096 ( -4.180 1.654 -1.248) 4.665 3.168 ( -1.550 3.600 -2.494) 4.646 3.260 ( -1.617 2.104 11.703) 12.000 3.478 ( 5.556 -2.286 17.500) 18.502 3.606 ( 1.245 3.904 8.561) 9.491 3.678 ( -8.562 8.299 0.983) 11.965 3.764 ( -2.529 4.359 13.769) 14.662 4.109 ( -3.831 6.347 -7.139) 10.292 4.317 ( -0.540 2.241 -5.871) 6.307 4.641 ( 21.935 -6.231 0.461) 22.807 4.909 ( 13.284 -5.372 -6.001) 15.535 4.994 ( 6.457 -11.689 -3.958) 13.928 5.107 ( 6.210 -3.607 -1.351) 7.308 5.264 ( 14.582 -5.791 2.869) 15.950 5.489 ( 5.912 -3.740 -3.357) 7.760 5.676 ( 4.767 -0.891 -1.200) 4.996 5.721 ( 3.931 -5.152 3.658) 7.442 5.809 ( 10.322 0.646 -1.214) 10.413 5.991 ( 2.093 0.694 -3.029) 3.747 6.214 ( -7.479 3.459 2.965) 8.758 6.357 ( 0.428 2.375 -1.642) 2.919 6.458 ( -0.351 2.890 1.643) 3.342 6.571 ( -1.707 3.503 -0.805) 3.979 6.630 ( -3.652 -5.067 -0.953) 6.318 6.899 ( -2.697 -0.577 4.324) 5.129 6.990 ( -2.916 0.202 -2.494) 3.843 7.263 ( 3.043 -3.344 3.660) 5.816 7.371 ( -3.064 -0.595 2.023) 3.720 7.486 ( 1.696 -2.795 -8.530) 9.135 7.725 ( -3.264 -4.240 -9.727) 11.101 8.000 ( -9.144 -1.210 2.744) 9.623 8.143 ( -3.348 0.273 -3.729) 5.019 8.302 ( -11.070 2.837 3.197) 11.867 8.404 ( -6.009 6.505 0.008) 8.856 8.511 ( -0.154 3.662 2.071) 4.210 8.685 ( -1.696 7.109 -3.027) 7.910 8.700 ( -8.341 5.606 1.157) 10.116 8.893 ( -2.836 -2.017 -2.040) 4.034 9.003 ( -7.844 2.134 2.560) 8.523 9.130 ( -3.936 -1.059 9.252) 10.110 9.435 ( -0.123 4.615 -0.839) 4.692 9.970 ( 1.730 -1.513 -1.349) 2.665 10.116 ( 6.848 -0.132 -1.928) 7.116 10.331 ( 0.014 -0.882 2.392) 2.549 10.550 ( -0.816 3.881 -1.148) 4.128 10.673 ( 3.410 -2.703 0.067) 4.352 10.943 ( 0.982 1.939 0.757) 2.301 12.234 ( -0.258 -1.666 0.506) 1.761 12.459 ( 3.085 -4.610 -3.325) 6.467 12.575 ( -1.579 3.769 3.369) 5.296 12.919 ( 2.916 -1.068 4.357) 5.351 13.080 ( -1.032 -3.623 -4.126) 5.587 13.269 ( 2.855 -2.252 -0.048) 3.637 14.266 ( -4.926 3.240 0.171) 5.898 14.501 ( -9.278 -2.747 -0.838) 9.713 14.898 ( -5.591 3.079 3.306) 7.188 15.360 ( -1.958 -3.394 -1.059) 4.059 15.788 ( 7.349 -4.779 -0.718) 8.795 15.915 ( 1.945 0.751 3.818) 4.351 16.104 ( 10.290 1.106 5.787) 11.858 16.246 ( 0.457 0.019 3.192) 3.225 16.448 ( 0.949 -3.711 -5.148) 6.416 16.747 ( 3.966 5.957 0.846) 7.206 17.038 ( 10.169 -1.514 -9.721) 14.149 17.220 ( 7.713 -0.581 5.540) 9.514 17.423 ( 1.938 -2.902 -4.515) 5.706 17.470 ( 4.382 -7.582 4.446) 9.821 17.907 ( 2.085 -0.001 -1.221) 2.417 17.992 ( 7.956 -3.979 0.724) 8.925 18.174 ( -3.297 0.745 1.088) 3.550 18.641 ( -8.302 6.112 -0.305) 10.314 18.739 ( 11.385 1.265 -0.411) 11.462 18.990 ( -0.595 9.278 6.799) 11.518 19.837 ( -1.975 -1.998 -3.349) 4.371 19.929 ( 4.973 -0.737 -3.822) 6.315 19.993 ( -13.114 -15.230 -0.462) 20.103 20.445 ( -15.961 -0.887 0.576) 15.996 21.404 ( 31.216 -6.141 -0.062) 31.815 21.468 ( 26.809 -10.347 -1.844) 28.796 22.496 ( 3.226 -5.834 -7.254) 9.852 23.170 ( 5.754 -14.379 12.516) 19.912 24.124 ( -19.637 10.534 -12.974) 25.786 24.722 ( -9.949 9.285 4.552) 14.350 25.445 ( -9.309 8.654 0.414) 12.717 25.706 ( -2.543 3.666 10.300) 11.224 26.127 ( -10.394 1.603 -9.663) 14.282 26.420 ( 0.085 3.419 2.472) 4.220 ======================= Grid point 97 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -4.404 2.076 -17.328) 17.999 1.016 ( 1.977 0.019 -4.771) 5.164 1.225 ( -5.950 1.102 -6.267) 8.712 1.419 ( 0.631 -7.380 -13.432) 15.339 1.695 ( 5.559 5.081 -12.701) 14.766 1.820 ( -0.733 0.726 -0.408) 1.110 1.842 ( 4.626 -1.399 -9.337) 10.513 1.891 ( -2.652 4.397 -0.279) 5.142 2.034 ( 1.641 4.168 -11.468) 12.312 2.269 ( -0.269 -4.089 4.877) 6.370 2.544 ( -20.452 -1.866 0.287) 20.539 2.579 ( -24.428 -2.974 0.487) 24.613 2.720 ( 0.716 -1.471 1.773) 2.412 2.787 ( 0.129 -0.138 -0.451) 0.489 2.852 ( -3.379 1.344 3.604) 5.120 3.024 ( -2.275 -1.492 -1.079) 2.927 3.121 ( -0.727 0.636 -0.942) 1.349 3.236 ( -2.746 -2.317 10.672) 11.261 3.488 ( -3.254 -0.326 1.107) 3.452 3.573 ( -4.573 -2.009 8.474) 9.836 3.674 ( 5.157 1.454 23.137) 23.750 3.744 ( 3.659 -0.089 8.877) 9.602 4.044 ( 2.202 -0.403 -4.496) 5.023 4.272 ( 1.652 1.564 -9.098) 9.378 4.716 ( 3.421 11.001 1.038) 11.568 5.029 ( 11.436 3.719 2.155) 12.217 5.117 ( 4.025 -0.908 -4.347) 5.993 5.256 ( 1.749 -0.403 -10.861) 11.009 5.494 ( 15.334 2.927 -0.034) 15.611 5.587 ( 1.204 6.213 0.580) 6.355 5.668 ( 7.455 -0.041 -4.340) 8.627 5.813 ( 0.386 0.188 -2.032) 2.077 5.842 ( 2.092 -1.700 1.465) 3.068 5.987 ( 5.000 3.567 -4.189) 7.435 6.064 ( -2.792 2.978 9.370) 10.220 6.365 ( -2.068 5.427 3.943) 7.019 6.416 ( 0.053 0.841 0.650) 1.064 6.521 ( 4.774 -2.476 -5.101) 7.412 6.599 ( -6.882 -0.660 -0.786) 6.958 6.877 ( -5.593 0.282 -4.255) 7.033 7.045 ( 1.866 -8.088 8.693) 12.019 7.278 ( -4.466 2.913 -1.514) 5.543 7.451 ( 8.709 -5.195 4.722) 11.186 7.579 ( 1.510 -6.353 -6.910) 9.507 7.716 ( 0.119 -0.640 -12.298) 12.315 7.924 ( -13.226 -1.344 0.943) 13.327 8.155 ( -4.918 -1.855 0.316) 5.266 8.209 ( -5.096 -0.245 -1.860) 5.430 8.315 ( 5.612 -4.710 3.427) 8.088 8.475 ( -2.792 -0.643 1.414) 3.195 8.582 ( -2.736 -1.033 -0.669) 3.000 8.594 ( 5.476 4.731 -0.523) 7.255 8.899 ( -0.661 -1.625 -0.502) 1.825 8.959 ( -3.765 -2.970 0.935) 4.886 9.161 ( -4.765 -3.435 9.162) 10.883 9.354 ( -2.367 2.286 0.268) 3.302 9.968 ( 3.902 3.373 -5.432) 7.490 10.179 ( 0.822 -2.040 2.452) 3.294 10.341 ( -1.105 -0.928 2.434) 2.830 10.449 ( 0.240 4.965 -3.558) 6.113 10.713 ( -1.259 1.923 1.788) 2.912 10.936 ( 0.158 0.555 0.126) 0.591 12.262 ( 0.853 -0.539 0.062) 1.011 12.489 ( -2.417 4.059 3.104) 5.653 12.570 ( 3.454 -4.480 -3.323) 6.560 12.967 ( 3.696 1.174 5.808) 6.984 13.082 ( -2.757 0.469 -2.870) 4.007 13.330 ( 2.957 -1.503 -2.082) 3.916 14.249 ( 1.715 -3.951 -1.694) 4.629 14.494 ( -5.138 -4.843 1.263) 7.172 14.770 ( -5.126 4.243 -0.139) 6.656 15.415 ( -4.807 -5.493 2.012) 7.572 15.888 ( -1.177 2.062 1.650) 2.891 15.902 ( 6.585 1.550 -0.372) 6.775 16.127 ( 1.719 4.958 7.133) 8.855 16.304 ( 6.252 -1.171 5.643) 8.504 16.510 ( 2.474 -3.440 -3.439) 5.458 16.690 ( 2.373 3.568 -1.378) 4.501 16.968 ( 2.442 9.074 -7.911) 12.283 17.313 ( 0.769 2.536 -3.988) 4.788 17.436 ( 1.554 -2.254 4.735) 5.469 17.657 ( 1.536 0.610 6.074) 6.295 17.896 ( -1.200 0.751 -2.729) 3.074 17.983 ( 1.995 2.342 2.620) 4.041 18.313 ( -0.276 -4.190 -2.395) 4.834 18.443 ( -0.376 1.977 -4.275) 4.725 18.789 ( 5.351 5.685 1.778) 8.007 18.858 ( -0.393 4.184 4.731) 6.328 19.793 ( -3.593 0.161 -4.159) 5.499 19.924 ( -4.665 0.998 -1.613) 5.035 20.156 ( -8.275 -12.496 2.840) 15.254 20.318 ( -13.500 -5.136 -2.605) 14.677 21.678 ( 19.209 11.317 -0.832) 22.311 21.739 ( 19.819 10.489 0.051) 22.424 22.590 ( 4.269 -0.812 -4.192) 6.038 23.497 ( 3.583 -13.066 9.566) 16.586 23.815 ( -10.883 0.063 -10.915) 15.413 24.562 ( -4.475 -1.465 1.568) 4.963 25.262 ( -2.930 2.171 2.774) 4.582 25.676 ( -3.613 -1.562 5.035) 6.391 26.036 ( -4.328 -2.486 -4.788) 6.916 26.404 ( 0.810 -0.793 0.644) 1.304 ======================= Grid point 98 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 3.275 -1.513 1.049) 3.757 1.225 ( 11.801 -0.428 -16.999) 20.698 1.388 ( -0.867 -19.913 -7.552) 21.315 1.558 ( 5.046 2.924 -9.753) 11.364 1.624 ( 4.102 -8.222 -8.387) 12.440 1.671 ( -1.076 4.433 2.354) 5.133 1.854 ( 1.803 -7.455 -1.539) 7.823 1.956 ( -2.571 1.823 -0.009) 3.152 2.009 ( -0.222 -2.349 -5.091) 5.611 2.165 ( -19.645 3.182 -6.534) 20.946 2.251 ( -23.031 1.054 -0.788) 23.068 2.399 ( 1.292 0.285 1.884) 2.302 2.745 ( -1.898 3.422 6.281) 7.401 2.772 ( -0.103 -0.856 -0.071) 0.865 2.826 ( 0.233 1.191 7.946) 8.038 3.038 ( -5.831 -3.323 -1.905) 6.976 3.100 ( -1.518 0.371 -0.024) 1.563 3.250 ( -2.304 4.092 16.796) 17.440 3.525 ( -1.828 2.940 -1.715) 3.863 3.686 ( 3.848 -0.460 12.323) 12.918 3.734 ( 0.951 -13.864 6.598) 15.383 3.881 ( -5.770 -9.341 1.917) 11.145 4.156 ( 4.975 -8.544 2.675) 10.242 4.251 ( 2.860 -1.318 -8.016) 8.613 4.477 ( 0.322 16.306 1.973) 16.428 4.894 ( 0.668 18.027 -0.756) 18.055 5.070 ( -8.679 8.671 -14.384) 18.905 5.137 ( 3.701 3.181 -1.342) 5.061 5.389 ( 5.837 8.512 -8.720) 13.512 5.509 ( -5.432 10.066 -1.320) 11.514 5.581 ( 11.346 10.833 1.098) 15.726 5.799 ( -0.026 8.736 -1.775) 8.914 5.898 ( 2.477 2.343 0.872) 3.519 5.933 ( 1.682 0.992 -1.858) 2.695 6.141 ( 5.796 -3.196 13.759) 15.268 6.232 ( -0.384 2.778 0.409) 2.834 6.463 ( 0.995 -3.396 1.737) 3.941 6.533 ( -4.538 1.327 -5.403) 7.180 6.636 ( 2.444 -3.929 2.220) 5.132 6.839 ( -4.463 -0.921 2.207) 5.063 7.104 ( -3.524 3.718 4.824) 7.037 7.297 ( 1.361 -7.612 -1.721) 7.922 7.606 ( 5.850 0.505 -4.079) 7.149 7.626 ( 3.160 1.639 -3.940) 5.310 7.728 ( 2.598 -4.099 -10.960) 11.986 7.830 ( -9.257 -5.017 2.012) 10.720 8.173 ( -3.165 -4.249 -1.630) 5.543 8.242 ( 1.562 -7.139 2.498) 7.723 8.500 ( 3.757 -6.142 1.012) 7.271 8.589 ( 1.568 -9.774 0.004) 9.899 8.616 ( 5.914 -2.760 1.026) 6.606 8.682 ( 3.042 -9.514 1.377) 10.083 8.960 ( 1.966 -3.540 -0.729) 4.114 8.979 ( -4.453 -3.527 0.975) 5.763 9.201 ( -4.634 -3.144 9.247) 10.810 9.330 ( -1.882 -3.031 -0.389) 3.589 9.911 ( 2.906 4.991 -5.397) 7.904 10.190 ( -0.205 3.510 5.165) 6.248 10.364 ( 0.375 2.687 -3.031) 4.068 10.390 ( -0.379 -4.335 2.795) 5.172 10.603 ( -3.449 6.513 0.466) 7.385 10.896 ( -2.115 2.986 -1.438) 3.932 12.257 ( 0.784 2.321 1.418) 2.831 12.418 ( -2.799 0.911 0.888) 3.074 12.662 ( 3.430 -2.753 -2.614) 5.117 12.988 ( 4.087 3.211 7.555) 9.170 13.005 ( -4.379 1.983 -3.975) 6.237 13.359 ( 2.571 0.951 -2.971) 4.042 14.420 ( 7.118 -9.250 -0.408) 11.678 14.573 ( -0.779 -6.696 1.047) 6.822 14.670 ( -5.452 0.344 1.072) 5.567 15.434 ( -6.613 -2.401 -0.797) 7.080 15.817 ( -3.298 2.643 1.833) 4.607 15.880 ( 2.106 6.533 -0.668) 6.896 16.062 ( 2.957 6.338 3.198) 7.691 16.402 ( 12.968 5.023 9.640) 16.922 16.608 ( -0.664 -5.852 0.153) 5.891 16.646 ( -2.578 1.946 -0.557) 3.278 16.770 ( -0.915 10.921 -5.666) 12.337 17.169 ( -7.231 6.735 -6.115) 11.621 17.480 ( -2.737 6.567 3.240) 7.817 17.509 ( 4.103 7.778 -0.208) 8.796 17.833 ( -5.782 4.606 -0.152) 7.394 17.897 ( -1.224 7.039 -0.360) 7.153 18.348 ( 4.385 -4.861 1.987) 6.841 18.521 ( -2.680 -3.431 -1.295) 4.542 18.762 ( 3.730 -0.579 1.933) 4.241 18.817 ( 1.384 3.239 0.122) 3.524 19.740 ( -6.738 -0.784 -2.144) 7.114 19.796 ( -8.591 4.063 -0.867) 9.543 20.239 ( -11.253 -8.942 2.924) 14.667 20.391 ( -1.106 -9.036 -2.504) 9.441 21.361 ( 5.711 32.087 0.374) 32.594 21.510 ( 8.524 29.063 -2.708) 30.408 22.526 ( 1.638 11.098 1.474) 11.315 23.646 ( -7.435 -4.826 -22.463) 24.148 23.942 ( 10.274 -13.377 16.675) 23.718 24.714 ( 2.124 -14.940 0.503) 15.099 25.357 ( 1.897 -10.508 4.280) 11.504 25.740 ( -2.589 -8.487 1.919) 9.078 26.079 ( 0.944 -4.436 -0.626) 4.579 26.466 ( 1.269 -4.804 -1.539) 5.201 ======================= Grid point 99 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 7.935 6.282 18.207) 20.831 1.181 ( 3.424 8.342 -8.970) 12.719 1.269 ( -8.153 8.023 6.003) 12.918 1.451 ( 0.370 8.753 0.922) 8.809 1.543 ( -2.335 9.560 -1.719) 9.990 1.723 ( -16.534 8.112 -5.105) 19.111 1.831 ( 0.256 -6.739 -9.652) 11.774 2.000 ( -2.369 1.050 1.297) 2.898 2.120 ( 1.509 -9.409 1.285) 9.616 2.166 ( 8.871 -6.322 -7.578) 13.269 2.296 ( -1.695 -11.588 -3.964) 12.364 2.458 ( 0.587 -4.428 -2.490) 5.114 2.629 ( -4.049 7.575 19.662) 21.457 2.784 ( 0.639 0.675 1.291) 1.591 2.857 ( 2.802 -0.116 4.091) 4.960 3.025 ( -6.844 -3.516 -0.519) 7.712 3.101 ( -0.709 -2.363 1.406) 2.840 3.196 ( -0.933 3.683 11.973) 12.561 3.374 ( -2.520 5.391 -4.485) 7.452 3.674 ( -6.171 5.535 8.149) 11.624 3.890 ( 1.463 -2.181 10.124) 10.460 4.077 ( 0.044 -2.765 -8.572) 9.007 4.175 ( -0.173 4.927 -0.451) 4.950 4.338 ( 6.466 -10.319 -4.659) 13.038 4.460 ( -4.714 -6.509 -4.882) 9.404 4.648 ( 6.503 -0.932 9.573) 11.610 4.774 ( -8.039 6.482 -26.378) 28.328 5.083 ( -0.353 3.539 -0.832) 3.652 5.247 ( -5.661 5.456 2.089) 8.134 5.352 ( 12.490 10.112 -2.891) 16.328 5.442 ( 6.233 14.672 0.363) 15.945 5.549 ( -3.753 12.528 -4.251) 13.752 5.855 ( 0.630 1.733 2.232) 2.895 5.969 ( 0.071 -1.595 -0.312) 1.626 6.201 ( 3.211 2.920 -2.493) 5.005 6.280 ( -0.553 -0.060 3.638) 3.680 6.380 ( -3.403 5.443 3.339) 7.236 6.530 ( 1.204 -0.379 3.158) 3.401 6.760 ( 3.391 -4.972 3.916) 7.181 6.793 ( -4.094 2.172 5.212) 6.975 6.992 ( -4.153 5.360 4.652) 8.223 7.387 ( -2.667 -2.819 -0.377) 3.899 7.541 ( -0.384 2.991 -7.027) 7.646 7.627 ( 3.241 2.466 -3.988) 5.700 7.838 ( 7.509 -4.370 -7.882) 11.730 7.928 ( -1.640 -9.724 -2.650) 10.211 8.252 ( 0.464 -5.267 2.642) 5.911 8.415 ( 4.251 -5.696 1.904) 7.358 8.634 ( 1.083 -4.110 2.316) 4.841 8.773 ( 3.552 -10.475 0.098) 11.061 8.809 ( 0.997 -11.708 0.597) 11.765 8.934 ( 4.267 -7.667 -0.517) 8.790 8.976 ( -5.737 -9.627 3.249) 11.668 9.093 ( 3.060 -5.276 -0.621) 6.131 9.211 ( -6.442 -2.954 6.443) 9.578 9.426 ( 0.155 -7.498 -2.443) 7.887 9.823 ( 1.797 5.952 -2.904) 6.862 10.056 ( -2.824 9.996 2.216) 10.621 10.357 ( -2.738 1.246 4.375) 5.309 10.387 ( 2.360 7.060 5.782) 9.426 10.571 ( 4.566 -6.013 -5.509) 9.347 10.811 ( -5.257 -1.229 -1.255) 5.542 12.216 ( -0.073 3.161 4.840) 5.781 12.414 ( -0.615 -2.474 -2.020) 3.252 12.727 ( 3.694 -1.309 -1.420) 4.168 12.914 ( -5.355 1.450 -3.944) 6.807 12.989 ( 4.456 3.650 7.052) 9.105 13.323 ( 1.246 4.195 -4.414) 6.216 14.617 ( -1.376 -2.209 4.720) 5.390 14.677 ( -0.010 -8.083 7.466) 11.004 14.758 ( 7.528 -10.034 -2.486) 12.788 15.356 ( -7.433 2.025 -2.758) 8.183 15.721 ( -1.015 11.243 -0.391) 11.296 15.745 ( -4.470 1.379 -0.601) 4.717 15.978 ( 5.917 8.798 -0.602) 10.620 16.393 ( 9.288 14.616 1.435) 17.377 16.456 ( -7.232 17.114 -5.203) 19.295 16.473 ( -4.244 11.155 3.784) 12.520 16.731 ( -4.072 -3.939 4.654) 7.332 16.957 ( -3.392 5.194 5.184) 8.085 17.305 ( 5.702 3.998 -5.934) 9.150 17.496 ( -2.471 0.072 -0.242) 2.484 17.675 ( -3.297 4.211 -0.635) 5.386 17.814 ( -1.952 2.520 -0.933) 3.321 18.385 ( -1.066 2.158 1.512) 2.843 18.548 ( -4.280 -2.896 -6.555) 8.347 18.824 ( 5.448 -2.441 5.132) 7.873 18.857 ( 0.316 -3.730 1.767) 4.140 19.599 ( -10.709 5.832 1.920) 12.345 19.662 ( -2.919 5.081 -3.414) 6.782 20.294 ( -5.361 -5.822 5.167) 9.452 20.518 ( 0.871 -5.540 -2.732) 6.238 20.857 ( 1.580 25.174 1.226) 25.253 21.012 ( 5.530 28.611 -5.573) 29.669 22.310 ( 1.755 14.428 10.503) 17.932 23.510 ( -6.583 1.262 -29.901) 30.643 24.393 ( 12.312 -15.460 19.996) 28.115 25.032 ( 0.878 -16.044 -1.943) 16.185 25.616 ( 1.524 -13.428 3.587) 13.982 25.918 ( -1.979 -12.207 -0.333) 12.371 26.189 ( 3.575 -4.477 3.672) 6.805 26.582 ( 0.881 -7.384 -3.681) 8.297 ======================= Grid point 100 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 4.873 12.858 16.220) 21.264 1.020 ( 3.925 8.453 11.554) 14.844 1.275 ( -2.383 8.726 -1.115) 9.115 1.308 ( 5.251 9.349 6.267) 12.420 1.386 ( 9.275 2.373 18.117) 20.491 1.511 ( 2.995 5.788 -4.304) 7.810 1.824 ( -5.380 15.315 8.770) 18.450 1.906 ( 4.463 10.715 -4.146) 12.326 2.040 ( 1.878 2.033 -5.040) 5.750 2.270 ( -0.810 5.490 7.167) 9.064 2.321 ( -5.831 5.368 13.618) 15.756 2.448 ( 1.080 -3.320 -6.432) 7.318 2.532 ( -1.329 7.501 0.677) 7.648 2.813 ( 4.263 -0.202 5.993) 7.357 2.891 ( 2.705 0.563 1.733) 3.261 3.014 ( -6.241 -3.470 -0.826) 7.189 3.162 ( 1.606 -1.360 0.287) 2.124 3.185 ( 0.440 0.294 6.528) 6.550 3.321 ( -1.705 -0.691 -8.397) 8.596 3.516 ( -8.716 1.086 3.483) 9.448 3.993 ( 2.810 5.257 -12.582) 13.922 4.044 ( -0.123 -10.830 6.201) 12.480 4.175 ( -0.911 -9.343 -2.080) 9.615 4.455 ( 2.629 4.432 -29.447) 29.895 4.487 ( -1.335 -0.932 4.658) 4.934 4.725 ( 2.371 -14.454 -4.344) 15.278 4.953 ( 2.418 -13.268 2.502) 13.716 5.051 ( -3.309 -1.206 2.950) 4.594 5.137 ( -0.179 4.435 3.305) 5.534 5.253 ( -1.180 5.631 1.365) 5.913 5.320 ( -4.370 4.370 -4.634) 7.725 5.353 ( 15.627 5.348 -3.714) 16.930 5.853 ( 1.319 2.109 2.720) 3.686 5.965 ( -2.244 0.538 -0.564) 2.375 6.054 ( -5.950 11.892 -6.957) 15.007 6.151 ( 2.009 4.010 -7.844) 9.036 6.398 ( 0.240 0.898 9.559) 9.605 6.515 ( 2.714 6.274 4.969) 8.451 6.725 ( -2.485 2.277 12.511) 12.957 6.876 ( 4.223 1.421 0.376) 4.472 6.902 ( -5.071 -2.700 6.760) 8.872 7.357 ( -2.193 1.860 2.888) 4.075 7.480 ( -0.501 1.895 -2.279) 3.006 7.613 ( -0.790 -1.757 -8.329) 8.549 7.971 ( 12.091 -0.582 -4.104) 12.782 8.030 ( -2.663 -3.390 -6.400) 7.716 8.336 ( -2.906 -2.833 4.078) 5.753 8.482 ( 4.236 3.732 3.120) 6.450 8.701 ( -3.729 -5.849 5.610) 8.921 8.911 ( -0.129 -5.112 -6.375) 8.172 9.003 ( -4.726 -3.903 -0.579) 6.157 9.107 ( 2.460 -15.370 4.094) 16.095 9.156 ( 0.660 -1.532 -6.523) 6.733 9.241 ( 0.252 -13.555 -1.127) 13.604 9.269 ( -0.420 -6.086 10.017) 11.729 9.527 ( -5.276 -6.284 -3.814) 9.049 9.738 ( 2.807 4.005 0.733) 4.946 9.868 ( -1.624 6.415 0.514) 6.637 10.211 ( -0.123 9.222 1.917) 9.420 10.324 ( 0.017 7.181 1.445) 7.325 10.776 ( 4.096 -11.980 6.918) 14.428 10.947 ( -0.858 -17.643 -1.077) 17.697 12.186 ( -0.374 2.088 8.899) 9.148 12.471 ( 1.133 -4.025 -3.661) 5.558 12.781 ( 4.669 0.349 -0.548) 4.714 12.799 ( -6.384 3.852 -1.312) 7.571 13.012 ( 3.491 -0.308 3.881) 5.229 13.213 ( -1.302 5.819 -6.383) 8.735 14.655 ( -4.201 -4.322 8.465) 10.391 14.818 ( -0.600 -4.839 5.140) 7.085 15.024 ( 10.885 -4.461 9.175) 14.919 15.214 ( -5.946 4.387 -2.725) 7.876 15.476 ( -1.134 14.113 0.311) 14.161 15.593 ( -7.087 14.143 -2.504) 16.016 15.843 ( 9.256 13.814 -8.658) 18.748 15.991 ( -2.044 13.740 -7.013) 15.561 16.162 ( -2.507 9.263 0.893) 9.638 16.296 ( 1.655 9.959 -5.460) 11.478 16.740 ( 2.339 2.615 18.596) 18.924 16.986 ( -4.243 -5.428 8.133) 10.659 17.389 ( 1.982 -6.314 -5.157) 8.390 17.456 ( -1.164 -0.616 -6.794) 6.920 17.608 ( 0.102 2.063 0.631) 2.160 17.749 ( -1.264 2.282 -1.360) 2.941 18.332 ( -1.706 1.833 3.023) 3.926 18.543 ( -4.436 -6.695 -7.572) 11.038 18.894 ( -0.848 -0.052 1.957) 2.134 18.954 ( 3.583 -2.763 4.375) 6.294 19.362 ( -2.727 12.279 1.924) 12.725 19.492 ( 0.354 10.459 -3.358) 10.990 20.392 ( 2.427 -4.311 6.877) 8.471 20.539 ( -1.517 9.604 1.074) 9.782 20.588 ( 2.576 -0.686 -3.591) 4.473 20.688 ( 4.324 11.319 -4.354) 12.875 22.204 ( 5.980 4.176 22.162) 23.332 23.323 ( -9.059 0.452 -31.006) 32.305 24.813 ( 9.381 -11.137 18.381) 23.450 25.232 ( -3.991 -8.790 -4.617) 10.701 25.853 ( 0.344 -10.420 1.732) 10.569 26.065 ( -6.081 -8.171 -3.796) 10.870 26.336 ( 3.357 -5.448 9.291) 11.282 26.709 ( -0.396 -7.579 -5.308) 9.261 ======================= Grid point 103 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.372 0.000 -1.178) 1.808 1.188 ( 3.052 0.000 0.416) 3.080 1.224 ( 6.662 0.000 25.343) 26.204 1.350 ( 17.907 0.000 16.843) 24.584 1.450 ( -2.019 -0.000 -14.102) 14.246 1.758 ( 17.633 0.000 -1.508) 17.697 1.852 ( -2.283 -0.000 -1.343) 2.648 2.224 ( 10.808 0.000 5.730) 12.233 2.284 ( 1.263 0.000 6.316) 6.441 2.288 ( 1.914 0.000 -0.546) 1.990 2.390 ( 8.190 0.000 -0.644) 8.215 2.612 ( 9.287 0.000 6.597) 11.391 2.794 ( -1.518 -0.000 -1.732) 2.303 2.892 ( 5.577 0.000 -0.786) 5.632 2.957 ( 2.188 0.000 -4.984) 5.443 3.106 ( 3.765 0.000 -3.348) 5.038 3.239 ( 7.623 0.000 7.576) 10.747 3.331 ( 8.220 0.000 1.373) 8.334 3.453 ( 0.355 0.000 -6.210) 6.220 3.694 ( -4.526 -0.000 -9.699) 10.703 3.871 ( 15.911 0.000 17.916) 23.961 3.947 ( 18.084 0.000 -16.275) 24.329 4.173 ( -4.354 -0.000 -3.845) 5.809 4.242 ( -7.935 -0.000 -3.638) 8.729 4.497 ( 0.357 0.000 -13.501) 13.505 4.631 ( -8.304 -0.000 -0.841) 8.347 4.778 ( 2.895 0.000 14.718) 15.000 4.802 ( -4.707 -0.000 3.314) 5.757 5.206 ( -0.505 -0.000 2.874) 2.918 5.219 ( -1.247 -0.000 -9.398) 9.481 5.487 ( 13.872 0.000 6.056) 15.136 5.506 ( 0.694 0.000 -4.273) 4.328 5.684 ( -6.300 -0.000 2.288) 6.702 5.968 ( 2.488 0.000 3.779) 4.524 6.085 ( -0.572 -0.000 -5.504) 5.534 6.366 ( 7.770 0.000 -0.423) 7.782 6.435 ( 0.541 0.000 4.982) 5.011 6.456 ( 6.133 0.000 5.426) 8.188 6.779 ( 1.993 0.000 -3.861) 4.345 6.842 ( 1.095 0.000 -2.542) 2.768 7.114 ( -4.057 -0.000 15.215) 15.747 7.219 ( -4.088 -0.000 -21.639) 22.021 7.312 ( -7.735 -0.000 3.409) 8.453 7.509 ( -6.319 -0.000 5.461) 8.352 7.759 ( -1.643 -0.000 -13.179) 13.281 8.053 ( 1.034 0.000 6.308) 6.392 8.338 ( -9.144 -0.000 -0.232) 9.147 8.382 ( -17.175 -0.000 -0.437) 17.181 8.596 ( -9.428 -0.000 0.800) 9.462 8.637 ( -6.659 -0.000 -3.812) 7.673 8.921 ( -4.621 -0.000 4.475) 6.433 8.957 ( 3.461 0.000 3.842) 5.171 9.098 ( -13.285 -0.000 -2.154) 13.458 9.233 ( -9.989 -0.000 7.908) 12.740 9.380 ( -7.589 -0.000 -2.325) 7.937 9.622 ( 0.863 0.000 -1.988) 2.168 9.782 ( -1.511 -0.000 2.484) 2.908 10.026 ( 4.931 0.000 -4.154) 6.448 10.171 ( 12.575 0.000 0.390) 12.581 10.369 ( 11.618 0.000 2.493) 11.883 10.960 ( -11.655 -0.000 11.839) 16.613 11.333 ( -11.588 -0.000 -4.603) 12.468 12.170 ( 1.309 0.000 -11.499) 11.573 12.247 ( -7.129 -0.000 6.132) 9.404 12.552 ( 1.760 0.000 6.065) 6.315 12.761 ( 5.437 0.000 -0.675) 5.478 13.034 ( -1.573 -0.000 -2.631) 3.066 13.145 ( 1.450 0.000 2.594) 2.972 14.508 ( -14.769 -0.000 -7.019) 16.352 14.583 ( -11.921 -0.000 12.657) 17.387 14.945 ( -8.499 -0.000 8.524) 12.038 15.159 ( 13.679 0.000 6.116) 14.984 15.362 ( 15.902 0.000 -0.837) 15.924 15.833 ( 12.131 0.000 -13.629) 18.246 15.920 ( 18.875 0.000 -3.200) 19.144 15.949 ( 6.436 0.000 3.587) 7.369 16.296 ( 17.160 0.000 -1.024) 17.190 16.418 ( 13.867 0.000 -0.447) 13.874 17.024 ( 3.620 0.000 -13.103) 13.594 17.162 ( -1.127 -0.000 7.075) 7.165 17.239 ( -0.355 -0.000 7.175) 7.183 17.471 ( -0.520 -0.000 -3.396) 3.435 17.765 ( 7.113 0.000 -0.174) 7.115 17.939 ( 6.265 0.000 -0.702) 6.304 18.458 ( -10.842 -0.000 -1.041) 10.892 18.708 ( 7.719 0.000 4.132) 8.755 18.864 ( -4.775 -0.000 -1.199) 4.923 19.175 ( 8.920 0.000 4.737) 10.100 19.386 ( 13.009 0.000 -1.852) 13.141 19.473 ( -0.231 -0.000 -0.833) 0.864 20.447 ( 17.268 0.000 -4.758) 17.912 20.496 ( -7.198 -0.000 1.494) 7.351 20.683 ( 9.779 0.000 3.755) 10.475 20.842 ( 8.274 0.000 -0.094) 8.274 22.297 ( -13.412 -0.000 -27.362) 30.472 22.819 ( 3.443 0.000 26.480) 26.703 24.733 ( -18.844 -0.000 -15.729) 24.546 24.982 ( -6.945 -0.000 12.942) 14.688 25.715 ( -14.305 -0.000 -0.828) 14.329 25.949 ( -6.130 -0.000 9.726) 11.497 26.512 ( -12.997 -0.000 -10.423) 16.660 26.594 ( 0.344 0.000 4.036) 4.050 ======================= Grid point 104 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.645 -3.564 -5.913) 6.934 1.217 ( 2.640 1.881 4.120) 5.243 1.300 ( 2.242 2.545 1.781) 3.831 1.378 ( 0.992 -2.083 -4.112) 4.715 1.499 ( 14.167 5.934 13.481) 20.437 1.777 ( 13.457 9.078 -1.838) 16.336 1.929 ( -0.333 -5.282 13.027) 14.061 2.202 ( 1.533 4.554 -0.156) 4.807 2.229 ( -1.096 2.795 1.619) 3.411 2.456 ( -0.775 -2.022 2.482) 3.293 2.513 ( -1.949 -1.527 -0.599) 2.547 2.694 ( -2.784 0.008 -3.847) 4.749 2.773 ( -0.564 1.040 -0.411) 1.252 2.888 ( -2.443 2.670 -5.101) 6.254 2.967 ( 0.364 -0.070 -1.742) 1.781 3.092 ( 0.764 0.967 -3.813) 4.008 3.326 ( -0.179 4.921 -6.915) 8.489 3.354 ( 9.396 1.609 12.284) 15.549 3.487 ( 2.164 -0.948 1.018) 2.572 3.605 ( -10.875 -1.925 -6.695) 12.915 3.991 ( 13.704 9.312 19.356) 25.479 4.054 ( 13.085 6.420 -9.771) 17.547 4.244 ( 6.918 -4.244 -1.133) 8.194 4.274 ( 8.859 -8.609 -11.807) 17.088 4.440 ( 6.972 1.943 -3.454) 8.020 4.551 ( 0.782 1.372 1.550) 2.212 4.732 ( 0.803 1.580 0.948) 2.010 4.945 ( 10.401 -5.508 12.729) 17.336 5.188 ( 4.629 -0.735 -4.586) 6.557 5.312 ( -0.973 -8.080 -0.068) 8.139 5.511 ( 3.203 -2.267 -5.650) 6.879 5.667 ( 0.042 -5.297 0.236) 5.302 5.704 ( 10.521 -0.292 9.292) 14.040 5.963 ( 1.293 -0.040 -1.246) 1.796 6.136 ( -2.424 -6.252 1.921) 6.976 6.427 ( -1.545 0.664 2.398) 2.929 6.448 ( 1.210 -2.811 1.849) 3.576 6.536 ( 1.233 -0.692 -0.647) 1.555 6.743 ( 0.458 4.870 -1.986) 5.279 6.864 ( 1.859 -2.606 -2.978) 4.372 7.009 ( -6.328 5.248 2.915) 8.722 7.201 ( -0.158 -3.114 -9.854) 10.336 7.266 ( -5.056 -2.342 0.368) 5.584 7.459 ( -4.397 -0.785 4.654) 6.451 7.684 ( -1.717 2.074 -8.592) 9.004 8.057 ( -8.729 3.654 5.150) 10.773 8.180 ( -11.844 -1.265 -6.883) 13.757 8.308 ( -13.479 -6.223 1.760) 14.950 8.508 ( -7.252 -0.538 0.710) 7.307 8.550 ( -4.044 1.917 -0.931) 4.571 8.850 ( -8.032 2.049 2.616) 8.692 8.867 ( -14.097 2.971 0.535) 14.417 8.951 ( -1.632 7.351 0.993) 7.595 9.157 ( -9.266 0.254 10.182) 13.769 9.224 ( -7.685 6.508 -2.557) 10.390 9.595 ( 2.570 3.203 -2.385) 4.749 9.812 ( 0.798 -2.778 1.584) 3.295 10.151 ( 3.857 -7.041 -0.533) 8.046 10.272 ( 12.219 2.887 -0.652) 12.572 10.494 ( 10.765 0.166 3.302) 11.261 10.843 ( -6.377 4.539 5.349) 9.480 11.113 ( -9.732 7.004 -3.887) 12.605 12.161 ( 1.447 -1.506 -5.236) 5.637 12.289 ( -2.519 -6.110 -0.288) 6.615 12.611 ( 1.177 -1.450 5.609) 5.912 12.820 ( 5.088 -1.051 -0.268) 5.203 13.018 ( 0.295 -0.213 -1.879) 1.914 13.186 ( 2.687 -1.568 1.250) 3.352 14.359 ( -14.107 -1.269 -3.210) 14.523 14.480 ( -11.129 1.895 11.491) 16.109 14.862 ( -5.237 0.885 8.898) 10.362 15.414 ( 9.232 -2.895 0.230) 9.678 15.503 ( 11.127 -4.049 1.274) 11.909 15.892 ( 8.671 -2.585 -10.940) 14.197 15.991 ( 2.668 -0.320 -0.076) 2.688 16.185 ( 5.985 -8.556 -5.064) 11.605 16.471 ( 12.693 4.793 1.231) 13.623 16.627 ( 22.211 -7.500 -1.235) 23.475 17.094 ( 6.260 1.623 -4.233) 7.729 17.114 ( 8.819 -0.468 -2.785) 9.260 17.287 ( 1.627 -1.263 7.752) 8.020 17.446 ( -0.814 1.138 -2.887) 3.208 17.844 ( 6.732 -0.878 0.219) 6.792 17.968 ( 3.104 1.531 -3.747) 5.101 18.321 ( -7.545 3.279 0.990) 8.286 18.763 ( -2.173 2.244 2.692) 4.124 18.809 ( 2.961 0.251 1.797) 3.473 19.271 ( 4.993 3.401 6.946) 9.205 19.448 ( 0.437 -6.071 -4.072) 7.324 19.581 ( 2.762 -6.768 -1.969) 7.571 20.226 ( -0.682 12.776 -1.825) 12.924 20.604 ( 1.442 11.761 0.767) 11.874 20.903 ( 19.757 -18.058 -0.394) 26.769 21.150 ( 21.196 -11.896 1.291) 24.340 22.183 ( -5.333 -7.469 -21.619) 23.487 22.945 ( 11.921 1.771 23.774) 26.654 24.435 ( -21.689 4.584 -16.733) 27.774 24.937 ( -10.686 0.485 8.384) 13.591 25.537 ( -15.977 1.255 0.300) 16.029 25.902 ( -5.308 1.486 11.383) 12.648 26.283 ( -13.285 5.979 -11.296) 18.435 26.574 ( -0.877 3.180 2.716) 4.273 ======================= Grid point 105 (45/95) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -2.732 4.237 -9.231) 10.518 1.203 ( 2.932 -1.148 -3.746) 4.894 1.362 ( 2.692 -3.681 -1.462) 4.789 1.482 ( 0.179 -4.823 3.689) 6.075 1.604 ( 9.775 0.793 9.893) 13.930 1.712 ( 5.448 10.221 -4.906) 12.579 2.041 ( -3.194 1.591 11.876) 12.401 2.098 ( -3.398 5.025 0.880) 6.129 2.154 ( -1.464 5.284 0.115) 5.484 2.275 ( -11.659 4.551 -2.013) 12.676 2.387 ( -15.158 5.352 3.940) 16.551 2.542 ( -1.467 8.036 -11.970) 14.491 2.734 ( -3.752 3.347 -4.283) 6.605 2.768 ( 0.526 -0.183 1.446) 1.550 2.944 ( -1.089 1.785 -1.352) 2.489 3.066 ( -2.766 1.141 -2.780) 4.085 3.202 ( -3.387 4.512 -3.423) 6.598 3.338 ( -3.286 6.417 3.534) 8.029 3.507 ( -8.143 -1.622 -5.632) 10.033 3.563 ( 6.186 -0.961 9.362) 11.262 3.810 ( -6.659 10.845 1.545) 12.820 4.068 ( 10.734 9.076 9.357) 16.886 4.161 ( 3.516 6.148 -0.978) 7.150 4.402 ( 2.403 7.335 1.939) 7.958 4.739 ( 22.426 -11.527 3.190) 25.416 4.806 ( 12.514 -15.354 -6.718) 20.916 4.937 ( 20.440 -7.948 -1.214) 21.964 5.166 ( 7.439 -0.529 2.713) 7.936 5.316 ( 13.674 -6.817 -2.512) 15.484 5.428 ( -1.044 -5.955 3.617) 7.045 5.629 ( 4.163 -7.341 -5.166) 9.895 5.677 ( -2.441 -3.453 6.205) 7.508 5.916 ( 9.904 -3.448 -0.565) 10.502 6.040 ( 8.352 -0.719 1.766) 8.567 6.198 ( -3.887 -0.587 2.897) 4.883 6.365 ( -4.052 -0.419 -2.294) 4.675 6.474 ( -4.683 1.679 1.167) 5.109 6.531 ( 0.872 -2.627 -1.263) 3.042 6.630 ( -2.475 4.267 -2.160) 5.386 6.868 ( -6.013 2.535 2.015) 6.830 6.949 ( -0.858 -2.135 2.441) 3.355 7.222 ( -1.995 -4.247 -7.222) 8.612 7.294 ( 2.066 -1.858 -2.615) 3.815 7.484 ( 0.558 -1.582 2.368) 2.902 7.620 ( -0.506 0.468 -7.074) 7.107 7.879 ( -12.828 1.389 1.898) 13.042 8.064 ( -7.701 -1.150 -3.421) 8.505 8.223 ( -11.736 1.764 -1.538) 11.967 8.439 ( -7.772 3.621 2.201) 8.853 8.518 ( -1.662 -2.882 -1.133) 3.514 8.691 ( -9.730 2.674 0.632) 10.110 8.757 ( -7.790 0.179 -0.518) 7.809 8.796 ( -1.751 3.965 1.040) 4.457 9.019 ( -6.033 6.905 0.200) 9.172 9.096 ( -7.605 0.612 10.921) 13.322 9.520 ( 0.532 5.437 -4.218) 6.901 9.908 ( 0.663 -4.867 5.152) 7.118 10.267 ( 7.099 1.746 -1.950) 7.567 10.319 ( 4.386 0.556 -2.469) 5.063 10.591 ( 4.158 1.259 3.383) 5.507 10.712 ( 0.262 3.788 -3.000) 4.839 10.962 ( -4.631 1.181 2.267) 5.290 12.208 ( 1.961 -2.140 -1.162) 3.127 12.377 ( -0.271 -5.847 -2.617) 6.412 12.634 ( 1.060 1.874 4.074) 4.608 12.906 ( 3.588 -3.220 -0.277) 4.829 13.041 ( 1.900 -1.174 0.007) 2.233 13.255 ( 2.780 -2.595 -1.021) 3.937 14.237 ( -9.268 0.412 0.331) 9.283 14.386 ( -8.390 -0.222 9.063) 12.352 14.839 ( -7.316 -1.303 7.787) 10.764 15.384 ( 3.776 6.401 -8.227) 11.086 15.758 ( 8.198 -7.844 3.316) 11.821 16.002 ( 6.698 1.531 -2.659) 7.367 16.043 ( -0.571 -7.843 -2.195) 8.165 16.286 ( -1.329 -1.213 -3.766) 4.173 16.489 ( 9.522 2.817 1.038) 9.983 16.898 ( 7.939 1.614 -0.874) 8.148 17.111 ( 13.695 -0.425 -5.662) 14.825 17.306 ( 8.820 -1.242 3.819) 9.691 17.398 ( -0.115 0.794 -4.262) 4.337 17.422 ( 9.933 -6.723 1.906) 12.145 17.919 ( 0.348 0.575 -3.397) 3.463 17.982 ( 6.265 -4.713 -3.151) 8.449 18.202 ( -3.986 4.679 4.601) 7.678 18.630 ( -10.681 3.473 0.552) 11.245 18.904 ( 12.368 1.247 2.258) 12.634 19.185 ( 0.198 9.727 7.752) 12.439 19.601 ( -6.733 -13.768 -1.959) 15.451 19.705 ( -1.629 -6.351 -2.634) 7.066 20.028 ( 0.098 7.212 -3.357) 7.956 20.372 ( -8.616 9.432 -0.338) 12.780 21.488 ( 27.208 -18.658 -1.135) 33.011 21.612 ( 29.427 -8.942 1.982) 30.819 22.325 ( 2.561 -13.809 -11.733) 18.301 23.155 ( 13.486 -2.537 20.699) 24.834 24.030 ( -23.027 8.475 -16.122) 29.360 24.749 ( -14.335 7.089 2.101) 16.130 25.370 ( -14.685 -0.250 0.332) 14.691 25.864 ( 0.252 5.696 16.047) 17.030 25.990 ( -14.592 3.915 -13.919) 20.542 26.493 ( -1.170 4.628 1.255) 4.936 ======================= Grid point 106 (46/95) ======================= q-point: ( 0.56 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 3.981 8.427 -1.653) 9.465 1.156 ( -1.478 14.123 -7.686) 16.147 1.297 ( 2.513 4.211 -1.627) 5.167 1.332 ( -4.699 12.327 0.532) 13.203 1.670 ( -0.816 -5.123 1.798) 5.490 1.691 ( 3.082 -6.526 -2.210) 7.548 1.938 ( -6.365 5.181 0.101) 8.207 2.018 ( -1.426 0.137 2.478) 2.862 2.035 ( -5.160 1.914 -6.068) 8.192 2.150 ( -10.282 -2.207 -5.116) 11.695 2.284 ( -8.143 5.238 -12.538) 15.841 2.380 ( -2.809 -2.318 10.831) 11.427 2.693 ( -2.422 -1.207 -0.220) 2.714 2.794 ( 0.106 -1.239 4.502) 4.670 2.864 ( -2.433 3.681 -1.136) 4.557 2.986 ( -5.129 1.143 0.513) 5.280 3.115 ( -1.801 1.152 -1.950) 2.893 3.177 ( -5.091 2.766 -0.325) 5.803 3.415 ( -7.346 0.151 -7.999) 10.862 3.619 ( -0.443 4.285 15.898) 16.472 3.720 ( 1.355 -2.773 -0.485) 3.124 3.950 ( 2.812 9.814 7.657) 12.761 4.161 ( 9.120 6.148 11.374) 15.822 4.351 ( 7.474 5.191 -2.906) 9.552 4.915 ( 0.885 7.212 1.106) 7.350 5.054 ( 1.777 -7.296 -2.123) 7.804 5.220 ( 13.608 1.222 0.073) 13.663 5.257 ( 11.196 -2.874 -10.603) 15.685 5.585 ( 4.546 -8.435 2.811) 9.986 5.631 ( 11.968 -5.243 1.579) 13.161 5.742 ( -0.257 -4.430 -4.246) 6.142 5.799 ( 9.524 -3.082 3.082) 10.474 5.948 ( 2.985 6.082 0.818) 6.824 6.086 ( 5.441 7.335 0.849) 9.172 6.133 ( 2.483 -0.072 3.952) 4.668 6.373 ( -4.029 -2.300 -1.516) 4.880 6.454 ( 2.492 -2.472 0.192) 3.515 6.517 ( -4.040 4.117 -1.763) 6.032 6.556 ( -3.049 0.747 -1.099) 3.326 6.843 ( -3.507 2.702 -1.140) 4.571 6.914 ( -1.989 -5.899 6.955) 9.334 7.236 ( -7.731 -2.892 -7.381) 11.073 7.385 ( 0.566 -6.613 -1.190) 6.743 7.499 ( 5.641 1.299 2.089) 6.154 7.630 ( -2.885 -5.034 -7.062) 9.139 7.796 ( -5.153 -2.286 -1.145) 5.752 8.057 ( -7.645 -1.216 0.821) 7.784 8.122 ( -0.494 -3.084 -2.793) 4.190 8.301 ( -5.480 0.664 -0.266) 5.527 8.520 ( -0.779 0.397 -2.304) 2.464 8.545 ( -2.478 5.523 2.687) 6.623 8.704 ( 0.220 0.636 -1.150) 1.332 8.805 ( -3.208 -5.566 -1.661) 6.636 8.880 ( -5.516 1.624 1.802) 6.026 9.063 ( -7.592 -2.236 12.554) 14.841 9.406 ( -0.763 5.542 -2.746) 6.232 10.009 ( 1.135 -3.500 4.615) 5.902 10.230 ( 5.041 6.313 -3.214) 8.694 10.335 ( 0.148 0.082 -1.462) 1.471 10.513 ( -1.743 4.659 -3.213) 5.922 10.745 ( 2.845 -0.170 2.621) 3.872 10.936 ( -1.869 -0.334 1.755) 2.585 12.259 ( 2.018 -1.374 0.194) 2.449 12.452 ( -3.563 -3.502 -1.414) 5.192 12.619 ( 5.252 2.761 2.210) 6.332 12.986 ( 1.246 -2.494 -1.321) 3.085 13.080 ( 1.606 -0.044 2.474) 2.950 13.320 ( 2.391 -2.150 -2.664) 4.176 14.190 ( -1.787 -2.579 0.722) 3.220 14.380 ( -4.621 -3.707 8.106) 10.040 14.764 ( -8.083 2.488 2.794) 8.907 15.308 ( -0.838 0.662 -5.784) 5.882 15.936 ( 5.849 -1.174 2.037) 6.304 16.005 ( 3.826 1.567 -2.109) 4.641 16.150 ( -4.276 -3.989 3.151) 6.643 16.261 ( 0.357 -1.515 0.462) 1.624 16.567 ( 8.535 0.534 -1.354) 8.658 16.865 ( 7.731 7.482 -1.251) 10.831 17.123 ( 3.909 6.918 -7.856) 11.174 17.329 ( -2.997 2.099 -6.257) 7.248 17.451 ( 4.607 -1.536 6.326) 7.975 17.677 ( 10.640 -5.321 4.972) 12.893 17.878 ( -2.261 -0.122 -4.795) 5.302 18.085 ( 1.290 5.289 3.786) 6.631 18.191 ( 3.332 -8.454 -2.931) 9.548 18.445 ( -9.047 3.739 -2.531) 10.111 18.994 ( 5.551 5.247 3.206) 8.284 19.004 ( 4.516 10.426 4.876) 12.364 19.730 ( -5.572 -1.327 -1.329) 5.880 19.774 ( -6.331 -12.685 -0.323) 14.180 19.979 ( 1.160 -1.367 -2.903) 3.412 20.115 ( -13.888 3.514 -1.272) 14.382 22.014 ( 25.186 -2.490 0.949) 25.327 22.038 ( 25.306 -5.533 -1.143) 25.930 22.567 ( 6.182 -8.330 -3.567) 10.970 23.374 ( 2.855 -3.136 12.774) 13.459 23.656 ( -14.859 0.549 -10.020) 17.930 24.483 ( -12.300 3.788 -2.675) 13.145 25.243 ( -8.896 0.181 1.191) 8.977 25.679 ( -7.306 6.884 -1.204) 10.110 25.933 ( -1.878 -3.578 4.283) 5.888 26.417 ( -0.798 2.340 -0.637) 2.553 ======================= Grid point 107 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 13.336 -5.501 4.173) 15.018 1.087 ( 9.424 -10.547 -7.729) 16.118 1.264 ( 6.784 -4.226 5.218) 9.545 1.381 ( 2.619 -6.178 -7.930) 10.389 1.720 ( 1.586 2.387 -8.594) 9.059 1.769 ( -6.444 4.246 0.849) 7.764 1.803 ( -4.711 2.639 -4.638) 7.118 1.889 ( 1.669 -2.025 -2.554) 3.662 1.974 ( -6.682 2.933 0.094) 7.298 2.029 ( -17.356 1.269 -0.588) 17.412 2.053 ( -1.331 4.809 -13.429) 14.327 2.450 ( 3.285 0.119 6.660) 7.427 2.713 ( -2.475 -4.068 0.228) 4.767 2.810 ( 1.351 1.396 2.280) 2.995 2.852 ( -0.206 -2.130 8.444) 8.711 2.938 ( -4.410 -0.056 -0.277) 4.419 3.084 ( -1.989 0.435 -1.916) 2.795 3.202 ( -2.794 -7.573 2.174) 8.360 3.407 ( -3.852 -11.464 -4.923) 13.058 3.581 ( -2.718 3.221 18.674) 19.144 3.690 ( -6.623 0.521 -12.614) 14.257 3.905 ( 4.217 5.850 17.208) 18.658 4.174 ( 3.979 2.590 10.754) 11.756 4.340 ( 9.055 4.845 -1.714) 10.412 4.723 ( -3.440 10.591 0.167) 11.137 5.043 ( -4.552 5.454 -19.973) 21.199 5.217 ( 8.215 5.576 0.006) 9.929 5.286 ( 3.075 11.205 0.948) 11.658 5.551 ( 0.852 6.453 -3.453) 7.368 5.683 ( 0.424 9.043 -0.501) 9.067 5.796 ( 3.465 4.275 4.407) 7.050 5.909 ( 0.857 0.942 -0.955) 1.592 5.987 ( 13.163 3.436 -1.151) 13.653 6.031 ( 6.105 -2.230 5.235) 8.345 6.220 ( 3.125 3.264 2.938) 5.390 6.298 ( -8.045 5.918 0.424) 9.996 6.377 ( 0.035 -1.936 -2.589) 3.233 6.498 ( 0.791 -1.461 4.017) 4.347 6.589 ( -0.124 -2.593 -3.592) 4.432 6.777 ( -1.824 -2.732 2.954) 4.418 7.072 ( -3.290 -6.233 3.085) 7.694 7.189 ( -1.941 -2.404 -2.778) 4.155 7.449 ( -3.720 -5.558 -10.242) 12.232 7.597 ( -8.802 -7.817 3.259) 12.214 7.692 ( 7.839 -2.805 -0.244) 8.329 7.824 ( 7.735 0.958 -5.572) 9.581 8.057 ( -3.271 -3.071 -1.328) 4.680 8.079 ( -5.874 -4.025 -0.268) 7.125 8.391 ( -1.263 -8.078 0.357) 8.184 8.515 ( 0.170 -2.189 -2.741) 3.512 8.553 ( 7.343 -4.936 1.411) 8.960 8.710 ( 3.554 1.043 0.655) 3.762 8.863 ( -5.551 -4.254 0.967) 7.061 8.877 ( -1.365 -5.037 0.392) 5.233 9.092 ( -6.138 -5.228 10.057) 12.890 9.307 ( -1.451 3.209 0.003) 3.522 10.050 ( 5.380 4.632 -1.371) 7.230 10.208 ( 0.372 -1.968 3.313) 3.872 10.328 ( -0.666 -0.950 -0.134) 1.168 10.396 ( -3.215 4.346 -4.635) 7.122 10.719 ( 0.481 5.921 3.779) 7.041 10.924 ( -0.741 1.212 -1.056) 1.770 12.297 ( 2.490 0.056 0.000) 2.491 12.405 ( -5.755 1.353 1.433) 6.083 12.673 ( 5.797 -0.500 0.453) 5.836 12.980 ( -3.631 1.307 -4.818) 6.173 13.094 ( 2.794 1.683 6.784) 7.527 13.366 ( 1.907 -1.379 -3.955) 4.602 14.318 ( 5.343 -9.155 0.931) 10.641 14.463 ( -1.015 -6.093 5.802) 8.474 14.637 ( -6.434 2.696 2.112) 7.289 15.284 ( -5.119 -2.445 -7.565) 9.456 15.901 ( 0.117 5.352 2.677) 5.985 16.006 ( 1.918 5.044 -1.010) 5.490 16.169 ( 1.106 -0.790 6.210) 6.357 16.369 ( -1.237 -7.940 3.611) 8.810 16.620 ( 4.654 0.585 -1.079) 4.813 16.795 ( 6.681 9.128 -2.219) 11.528 16.962 ( 1.898 11.050 -4.919) 12.244 17.196 ( -5.170 5.715 -8.136) 11.207 17.481 ( -2.341 0.321 6.190) 6.625 17.733 ( 5.123 6.568 -2.310) 8.644 17.840 ( -4.415 2.661 3.161) 6.047 18.050 ( 1.519 8.531 -1.296) 8.762 18.247 ( -0.924 -7.309 1.106) 7.449 18.455 ( 1.704 -5.718 -6.042) 8.491 18.795 ( -5.390 7.919 10.311) 14.075 19.008 ( 11.074 7.737 -5.075) 14.431 19.642 ( -11.149 0.819 3.959) 11.859 19.816 ( -0.092 4.601 -6.443) 7.918 19.993 ( -5.271 -9.864 3.403) 11.690 20.163 ( -1.738 -12.288 -2.447) 12.649 21.999 ( 9.777 26.163 -0.173) 27.931 22.068 ( 8.947 21.316 -1.241) 23.150 22.705 ( 7.232 1.867 1.659) 7.651 23.371 ( -11.488 -7.906 -13.186) 19.192 23.800 ( 6.655 -14.868 12.138) 20.314 24.441 ( -5.489 -11.028 -4.978) 13.286 25.240 ( -1.010 -5.331 4.445) 7.014 25.574 ( -5.768 -4.035 -2.708) 7.542 26.021 ( 2.244 -4.108 5.727) 7.397 26.399 ( -0.686 -1.819 -2.659) 3.294 ======================= Grid point 108 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 17.326 2.719 19.607) 26.306 1.353 ( 9.994 6.360 -13.180) 17.721 1.396 ( 13.286 -2.273 -4.631) 14.252 1.561 ( -10.076 0.489 -4.780) 11.163 1.593 ( 6.502 -1.651 -10.316) 12.305 1.669 ( -6.698 -10.007 0.598) 12.057 1.764 ( 0.792 4.846 -1.764) 5.218 1.862 ( -0.980 -3.818 1.452) 4.201 1.920 ( 2.010 -12.069 -0.207) 12.237 1.969 ( -0.841 -5.826 -3.172) 6.687 2.110 ( 4.523 -6.260 -5.896) 9.717 2.443 ( 0.946 2.525 -6.279) 6.833 2.777 ( -0.165 -3.376 0.968) 3.516 2.790 ( -1.569 5.873 14.946) 16.135 2.873 ( -1.846 -0.598 -0.455) 1.993 2.939 ( 1.613 -2.570 6.428) 7.108 3.048 ( -3.165 -0.854 -0.424) 3.305 3.258 ( -3.666 0.288 7.361) 8.228 3.440 ( -6.557 8.404 0.060) 10.659 3.702 ( -6.440 -18.118 0.411) 19.233 3.750 ( -2.841 -6.823 6.939) 10.138 3.840 ( 0.851 -4.170 8.457) 9.467 4.242 ( -0.454 -4.783 -0.956) 4.899 4.327 ( 7.242 8.325 1.983) 11.211 4.487 ( -1.343 11.682 1.271) 11.827 4.790 ( 1.207 10.161 -28.722) 30.491 4.944 ( -1.655 19.896 5.282) 20.652 5.214 ( 6.750 7.853 -1.871) 10.523 5.357 ( -0.807 9.510 4.008) 10.352 5.581 ( 0.387 7.065 -1.617) 7.258 5.739 ( 9.710 9.685 -3.524) 14.160 5.759 ( -6.388 11.343 -2.849) 13.326 5.923 ( -4.971 8.317 3.277) 10.228 5.972 ( 0.788 4.483 1.812) 4.899 6.227 ( -3.530 -2.443 2.042) 4.754 6.280 ( 3.896 -0.712 -1.287) 4.164 6.427 ( -1.259 -1.512 1.265) 2.339 6.537 ( 5.021 -0.326 1.339) 5.206 6.671 ( 0.200 -6.026 8.785) 10.655 6.831 ( 1.693 -0.598 1.359) 2.252 7.055 ( -3.045 4.716 0.055) 5.614 7.241 ( -5.003 -7.254 0.737) 8.843 7.482 ( -3.623 -4.774 -7.746) 9.793 7.678 ( 2.428 -4.475 -8.285) 9.724 7.748 ( -0.519 0.064 0.548) 0.757 7.874 ( 9.571 -0.217 -6.809) 11.748 8.125 ( -0.787 -9.360 4.632) 10.473 8.241 ( -1.346 -12.852 0.045) 12.922 8.540 ( 0.828 -8.609 1.696) 8.813 8.609 ( 0.097 -9.025 -2.924) 9.487 8.717 ( -0.657 -3.249 1.699) 3.725 8.801 ( 3.509 -8.545 -2.512) 9.573 8.848 ( -2.418 -0.814 6.425) 6.913 8.981 ( -1.013 -6.378 -0.144) 6.459 9.156 ( -3.199 -3.485 7.733) 9.065 9.291 ( -1.371 -3.545 -0.583) 3.845 9.981 ( 4.896 7.354 -0.766) 8.868 10.188 ( -2.771 7.280 -1.779) 7.991 10.328 ( -1.213 -1.874 2.046) 3.028 10.412 ( 0.995 -8.867 0.445) 8.934 10.600 ( 1.730 8.698 3.925) 9.698 10.847 ( -0.652 5.689 -3.592) 6.760 12.282 ( -0.226 3.435 2.689) 4.368 12.368 ( -0.735 -1.725 -0.698) 2.001 12.737 ( 3.592 -1.030 1.318) 3.962 12.870 ( -6.378 2.418 -4.840) 8.364 13.112 ( 3.120 2.410 6.518) 7.617 13.367 ( 0.541 1.563 -5.126) 5.386 14.525 ( -7.855 -3.441 1.390) 8.687 14.609 ( 8.480 -11.175 7.183) 15.760 14.644 ( 5.251 -6.372 3.042) 8.800 15.225 ( -7.273 -1.558 -11.785) 13.936 15.809 ( -0.631 5.625 3.761) 6.796 15.883 ( -0.997 8.103 -0.724) 8.196 16.178 ( 4.061 5.612 4.754) 8.401 16.495 ( -7.064 -5.774 9.225) 12.975 16.578 ( -3.171 9.990 -4.251) 11.310 16.644 ( -2.625 4.327 -2.816) 5.792 16.814 ( 11.051 10.712 1.746) 15.489 17.015 ( -2.204 5.319 -6.936) 9.015 17.458 ( -1.900 0.758 1.403) 2.480 17.581 ( 3.089 14.841 -4.264) 15.747 17.736 ( -1.350 4.742 2.808) 5.674 17.868 ( -0.533 6.943 -2.207) 7.305 18.406 ( -5.211 -5.800 0.672) 7.826 18.456 ( 2.680 3.366 0.412) 4.322 18.753 ( -3.149 -4.872 3.054) 6.556 18.946 ( 6.295 6.092 -3.040) 9.273 19.553 ( -5.465 -0.536 2.965) 6.241 19.740 ( 3.949 4.355 -4.098) 7.167 20.160 ( 0.971 -8.850 5.199) 10.310 20.360 ( 0.566 -10.351 -2.925) 10.771 21.444 ( -1.018 35.878 1.472) 35.922 21.602 ( 2.264 32.214 -5.214) 32.712 22.619 ( 2.388 12.965 10.220) 16.681 23.341 ( -6.340 -3.075 -24.407) 25.404 24.245 ( 8.464 -18.877 16.485) 26.453 24.668 ( -4.815 -19.335 -6.031) 20.818 25.406 ( -0.959 -11.371 6.273) 13.022 25.678 ( -1.630 -11.240 -2.586) 11.649 26.151 ( 3.443 -4.894 6.011) 8.481 26.447 ( -1.343 -5.582 -4.607) 7.360 ======================= Grid point 109 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 9.020 9.850 -11.614) 17.700 1.315 ( 13.405 12.650 7.213) 19.793 1.409 ( 4.803 6.886 -0.072) 8.396 1.533 ( 4.498 10.739 -0.687) 11.663 1.619 ( 16.192 2.665 13.598) 21.312 1.733 ( 15.139 1.444 0.953) 15.238 1.833 ( 6.340 -6.508 -8.201) 12.239 1.911 ( -4.579 0.898 -4.422) 6.429 2.132 ( 0.305 -7.693 1.218) 7.795 2.229 ( -3.981 -11.729 1.266) 12.451 2.267 ( 3.904 -8.341 -6.027) 11.006 2.384 ( -4.023 -0.832 -10.421) 11.201 2.662 ( -4.917 7.352 20.126) 21.984 2.854 ( 2.595 -3.596 1.886) 4.819 2.892 ( -0.169 -0.206 3.052) 3.064 2.979 ( 1.762 1.352 1.407) 2.629 3.103 ( 0.923 -5.332 4.027) 6.746 3.229 ( -1.703 1.495 10.516) 10.757 3.259 ( -5.207 1.507 -6.933) 8.801 3.527 ( -12.441 8.412 11.294) 18.791 3.929 ( -2.267 -4.640 1.093) 5.279 4.103 ( 4.871 8.893 -1.476) 10.246 4.160 ( -1.271 1.235 -2.386) 2.972 4.335 ( -2.309 -12.280 -3.468) 12.968 4.445 ( 3.207 -10.858 -3.019) 11.718 4.552 ( 5.701 10.552 -26.972) 29.518 4.804 ( 1.856 -2.161 11.322) 11.675 5.118 ( 7.066 6.349 -6.175) 11.330 5.271 ( 1.524 6.779 6.322) 9.394 5.369 ( -12.665 14.110 -3.024) 19.200 5.422 ( -1.078 10.142 -1.770) 10.351 5.592 ( 4.550 9.916 -1.767) 11.052 5.875 ( -9.134 -0.545 -0.819) 9.187 5.910 ( 3.425 0.353 0.536) 3.485 6.161 ( 1.968 5.743 -3.571) 7.043 6.290 ( 4.808 4.692 -5.737) 8.834 6.443 ( 0.463 -1.082 9.717) 9.788 6.642 ( 5.080 -0.657 1.719) 5.403 6.739 ( -3.111 3.071 5.322) 6.887 6.838 ( -3.577 -2.147 12.367) 13.052 6.948 ( 1.022 2.404 1.667) 3.099 7.318 ( -2.296 -3.783 -2.088) 4.893 7.466 ( -1.731 -0.772 -6.733) 6.995 7.616 ( -1.845 4.488 -4.812) 6.834 7.868 ( 2.046 -7.645 -6.429) 10.197 8.009 ( 7.833 -6.299 -7.051) 12.278 8.278 ( -1.600 -4.401 8.927) 10.081 8.424 ( -3.387 -8.133 -1.252) 8.899 8.636 ( -1.787 -2.845 2.769) 4.353 8.746 ( -7.069 -6.887 -2.859) 10.275 8.837 ( -1.344 -10.550 2.285) 10.878 8.889 ( -0.841 -11.550 4.056) 12.270 9.013 ( 2.206 -7.381 -0.044) 7.704 9.078 ( 0.264 -5.420 -2.031) 5.794 9.216 ( -2.661 -4.298 6.611) 8.322 9.364 ( -1.317 -6.019 -0.945) 6.234 9.896 ( 4.264 8.037 0.454) 9.109 9.989 ( -1.972 8.430 -3.432) 9.313 10.326 ( -1.884 3.195 3.145) 4.863 10.487 ( 2.504 8.374 5.829) 10.506 10.647 ( 1.048 -14.567 -2.017) 14.743 10.747 ( 3.702 2.068 -2.618) 4.983 12.234 ( -0.810 2.027 5.065) 5.515 12.415 ( 2.063 -2.589 -2.077) 3.908 12.750 ( -8.035 1.321 -3.555) 8.885 12.797 ( 2.539 -1.485 1.918) 3.511 13.107 ( 2.628 3.167 5.125) 6.573 13.283 ( -1.490 5.484 -6.330) 8.506 14.521 ( -8.047 -5.105 4.400) 10.496 14.783 ( 3.640 -3.715 6.864) 8.612 14.990 ( 7.133 -14.187 4.723) 16.567 15.145 ( -1.699 -0.733 -10.185) 10.351 15.683 ( -1.792 8.919 -0.160) 9.099 15.716 ( -0.025 9.375 -0.452) 9.386 16.058 ( -2.880 10.513 1.554) 11.011 16.294 ( -0.864 10.998 0.379) 11.039 16.341 ( -4.248 12.857 0.754) 13.562 16.630 ( 7.311 14.809 -8.064) 18.379 16.733 ( 1.803 -1.408 10.313) 10.564 16.985 ( 2.498 -0.040 5.387) 5.938 17.349 ( -3.196 6.466 -3.789) 8.147 17.446 ( 4.503 1.045 -3.859) 6.022 17.675 ( 2.169 3.603 1.186) 4.370 17.781 ( 0.627 2.830 -1.879) 3.454 18.373 ( -3.970 -1.620 1.350) 4.495 18.429 ( 0.402 3.612 -2.781) 4.576 18.841 ( -0.719 -5.192 0.716) 5.290 18.949 ( 0.849 -1.729 3.206) 3.740 19.544 ( 6.101 4.024 0.042) 7.308 19.687 ( 6.386 7.438 -1.749) 9.959 20.351 ( 4.529 -6.216 5.348) 9.368 20.518 ( 2.732 -6.361 -2.912) 7.510 20.828 ( -4.109 26.314 0.374) 26.635 21.065 ( 1.382 25.922 -4.933) 26.423 22.449 ( 1.930 10.816 16.710) 19.998 23.185 ( -5.862 4.289 -28.173) 29.094 24.690 ( 4.828 -16.379 17.593) 24.517 24.910 ( -9.299 -16.675 -7.214) 20.411 25.635 ( -2.292 -13.517 5.121) 14.635 25.844 ( -3.598 -9.324 -2.693) 10.350 26.295 ( 2.845 -5.262 6.918) 9.146 26.531 ( -3.018 -7.800 -6.257) 10.445 ======================= Grid point 113 (50/95) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.083 -0.000 -3.916) 3.917 1.251 ( 2.489 0.000 0.635) 2.568 1.319 ( 0.513 0.000 -5.923) 5.945 1.498 ( 4.335 0.000 25.190) 25.560 1.686 ( 0.968 0.000 23.138) 23.158 2.000 ( 9.991 0.000 3.975) 10.753 2.079 ( 10.397 0.000 -2.993) 10.819 2.284 ( -3.524 -0.000 3.097) 4.692 2.292 ( -8.581 -0.000 1.315) 8.681 2.382 ( 5.292 0.000 3.503) 6.347 2.418 ( 5.926 0.000 -3.108) 6.691 2.649 ( -4.299 -0.000 0.312) 4.311 2.760 ( -1.547 -0.000 -0.174) 1.557 2.883 ( -2.119 -0.000 -6.318) 6.664 2.970 ( 1.099 0.000 -2.214) 2.471 3.119 ( 3.906 0.000 -9.105) 9.908 3.347 ( -2.672 -0.000 -11.780) 12.079 3.438 ( -1.226 -0.000 -10.936) 11.005 3.503 ( -5.363 -0.000 1.874) 5.681 3.509 ( 8.482 0.000 11.787) 14.522 4.109 ( -3.565 -0.000 -3.205) 4.794 4.180 ( 6.228 0.000 -4.994) 7.983 4.356 ( 10.902 0.000 10.706) 15.280 4.375 ( 24.536 0.000 -8.964) 26.123 4.514 ( 3.185 0.000 -2.267) 3.910 4.660 ( 18.041 0.000 11.608) 21.452 4.821 ( 8.003 0.000 4.193) 9.035 5.010 ( 6.529 0.000 13.502) 14.998 5.182 ( 2.881 0.000 -9.955) 10.364 5.216 ( -1.043 -0.000 4.285) 4.410 5.511 ( 2.002 0.000 -6.232) 6.545 5.540 ( -5.307 -0.000 2.332) 5.797 5.818 ( 4.221 0.000 13.578) 14.219 5.994 ( -4.238 -0.000 -4.572) 6.235 6.039 ( 5.662 0.000 0.692) 5.704 6.416 ( -2.969 -0.000 2.319) 3.767 6.427 ( -2.920 -0.000 1.249) 3.176 6.538 ( 1.578 0.000 -2.028) 2.570 6.786 ( -2.191 -0.000 0.705) 2.302 6.832 ( -1.029 -0.000 -7.507) 7.577 7.051 ( -7.608 -0.000 7.589) 10.746 7.100 ( 5.045 0.000 -16.228) 16.994 7.228 ( 0.331 0.000 2.871) 2.890 7.374 ( -7.703 -0.000 -0.881) 7.753 7.688 ( 1.647 0.000 -2.879) 3.317 7.956 ( -20.196 -0.000 0.478) 20.202 8.087 ( -0.304 -0.000 0.297) 0.425 8.158 ( -5.789 -0.000 -0.576) 5.818 8.419 ( -7.558 -0.000 2.003) 7.819 8.521 ( -3.358 -0.000 -4.485) 5.603 8.720 ( -18.250 -0.000 -0.569) 18.259 8.763 ( -13.910 -0.000 3.430) 14.327 9.020 ( -2.049 -0.000 2.418) 3.170 9.099 ( -7.566 -0.000 11.874) 14.080 9.190 ( -8.101 -0.000 -2.399) 8.449 9.639 ( 2.397 0.000 -5.589) 6.082 9.817 ( 2.480 0.000 4.629) 5.252 10.126 ( 5.127 0.000 -0.390) 5.142 10.417 ( 9.894 0.000 -0.786) 9.925 10.625 ( 10.907 0.000 1.683) 11.036 10.821 ( -8.273 -0.000 11.232) 13.950 11.055 ( -9.618 -0.000 -9.276) 13.363 12.164 ( -4.186 -0.000 3.665) 5.564 12.184 ( 5.961 0.000 -11.605) 13.046 12.652 ( 3.147 0.000 7.839) 8.447 12.868 ( 5.252 0.000 -0.567) 5.283 13.007 ( 0.150 0.000 -2.420) 2.425 13.202 ( 2.480 0.000 0.470) 2.524 14.205 ( -11.740 -0.000 2.164) 11.938 14.409 ( -11.047 -0.000 11.823) 16.181 14.866 ( -5.168 -0.000 11.746) 12.833 15.454 ( 10.057 0.000 3.883) 10.781 15.640 ( 10.317 0.000 -1.455) 10.419 15.858 ( 2.371 0.000 -10.509) 10.773 16.040 ( 3.492 0.000 -11.828) 12.333 16.148 ( 7.072 0.000 -4.889) 8.598 16.676 ( 3.841 0.000 5.037) 6.334 16.698 ( 17.984 0.000 -7.421) 19.455 17.212 ( 22.033 0.000 -5.829) 22.791 17.227 ( 7.802 0.000 1.273) 7.905 17.291 ( 0.910 0.000 5.613) 5.686 17.447 ( -0.309 -0.000 -2.538) 2.557 17.905 ( 6.205 0.000 0.978) 6.282 17.967 ( -3.102 -0.000 -7.859) 8.449 18.288 ( -4.247 -0.000 2.610) 4.984 18.676 ( -12.454 -0.000 -1.207) 12.512 18.891 ( 6.529 0.000 6.379) 9.128 19.327 ( 3.107 0.000 -0.846) 3.220 19.445 ( 0.661 0.000 1.077) 1.264 19.557 ( 4.614 0.000 -2.287) 5.149 20.320 ( -10.954 -0.000 7.107) 13.058 20.844 ( 6.589 0.000 2.719) 7.128 21.027 ( 22.699 0.000 -10.880) 25.172 21.071 ( 23.386 0.000 1.802) 23.455 22.039 ( 1.065 0.000 -11.160) 11.211 23.181 ( 16.122 0.000 20.528) 26.102 24.194 ( -22.465 -0.000 -18.261) 28.951 24.847 ( -11.574 -0.000 6.280) 13.168 25.377 ( -17.323 -0.000 0.750) 17.340 25.843 ( -10.207 -0.000 2.929) 10.619 26.209 ( -8.102 -0.000 -3.277) 8.740 26.601 ( -1.252 -0.000 1.907) 2.281 ======================= Grid point 114 (51/95) ======================= q-point: ( 0.44 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 5.222 -0.823 8.506) 10.015 1.284 ( 1.599 0.043 2.505) 2.972 1.340 ( 3.361 -1.651 -1.873) 4.187 1.493 ( 0.864 5.365 16.061) 16.955 1.818 ( 2.069 -0.185 17.425) 17.549 1.976 ( -3.690 6.165 1.301) 7.302 2.054 ( 8.167 5.840 6.400) 11.906 2.164 ( -7.739 -0.127 5.025) 9.228 2.198 ( -5.759 1.511 0.115) 5.955 2.333 ( 2.316 17.041 0.992) 17.226 2.442 ( 1.810 12.239 -1.496) 12.463 2.596 ( -1.173 1.306 -1.497) 2.308 2.736 ( -1.697 1.968 -3.544) 4.394 2.805 ( 0.537 3.165 -7.550) 8.204 2.966 ( 0.677 1.175 -1.724) 2.194 3.086 ( 0.040 4.614 -8.550) 9.715 3.237 ( -4.289 4.773 -6.061) 8.827 3.328 ( -7.914 -0.377 -6.911) 10.513 3.470 ( -1.511 3.152 -4.141) 5.419 3.613 ( 3.991 -1.567 3.781) 5.717 3.900 ( -9.276 10.963 -0.958) 14.393 4.264 ( 7.622 4.180 3.513) 9.376 4.396 ( 5.941 4.161 1.048) 7.329 4.571 ( 3.039 -1.286 13.521) 13.918 4.687 ( 20.972 -4.014 -3.163) 21.585 4.848 ( 19.797 -3.108 2.198) 20.160 5.036 ( 18.758 -5.578 4.183) 20.012 5.194 ( 6.230 -8.081 6.291) 11.987 5.257 ( 3.136 -6.592 -4.459) 8.554 5.305 ( 2.590 -7.435 2.648) 8.306 5.538 ( 2.987 -4.089 -6.151) 7.967 5.570 ( -7.058 -5.161 6.028) 10.621 5.875 ( -1.353 -4.005 1.882) 4.627 6.004 ( -5.619 -8.823 5.495) 11.816 6.167 ( 9.360 -3.354 -1.076) 10.001 6.340 ( -4.350 4.160 -1.132) 6.125 6.417 ( -4.453 -2.196 0.663) 5.009 6.532 ( 2.064 1.242 -4.593) 5.186 6.666 ( -5.164 6.069 -2.609) 8.385 6.874 ( -2.516 -6.016 1.294) 6.648 6.895 ( -7.327 5.485 3.273) 9.720 7.163 ( 2.937 0.667 -7.928) 8.480 7.249 ( 1.322 -4.346 -5.681) 7.274 7.418 ( 1.582 -5.200 4.472) 7.039 7.663 ( -0.534 3.203 -4.247) 5.346 7.817 ( -5.178 -1.101 2.600) 5.898 8.002 ( -4.276 5.976 -3.520) 8.148 8.120 ( -6.535 -1.008 0.492) 6.630 8.384 ( -5.780 -0.665 0.642) 5.853 8.451 ( -4.811 -0.031 -2.240) 5.307 8.561 ( -12.810 -1.726 -2.029) 13.084 8.625 ( -12.656 -2.445 0.923) 12.923 8.918 ( -2.995 7.516 4.650) 9.331 9.068 ( -4.464 2.565 4.050) 6.550 9.072 ( -6.430 2.476 6.372) 9.385 9.605 ( 1.630 4.103 -6.530) 7.883 9.878 ( 2.049 -2.007 7.116) 7.673 10.222 ( 2.975 -4.808 -0.920) 5.728 10.464 ( 6.043 3.493 -3.044) 7.615 10.712 ( 8.342 2.277 2.279) 8.942 10.761 ( -3.692 3.520 2.197) 5.554 10.911 ( -7.293 0.911 -1.764) 7.559 12.172 ( -1.266 -3.379 1.317) 3.841 12.260 ( 3.264 -4.737 -8.355) 10.144 12.694 ( 2.626 1.058 6.334) 6.938 12.919 ( 4.418 -0.195 -0.805) 4.495 13.027 ( 0.767 -2.186 -0.345) 2.342 13.234 ( 1.540 -1.545 -2.229) 3.119 14.132 ( -7.630 -1.617 6.253) 9.996 14.337 ( -8.469 0.317 11.541) 14.318 14.822 ( -3.976 2.695 10.780) 11.802 15.545 ( 4.714 5.482 -5.591) 9.140 15.701 ( 5.997 -5.190 -1.759) 8.123 15.909 ( -0.099 -3.848 -1.760) 4.232 16.060 ( 5.873 -1.941 -10.432) 12.128 16.217 ( 2.041 -3.016 -8.272) 9.038 16.629 ( 2.479 4.481 2.885) 5.878 16.911 ( 6.210 -6.291 -5.569) 10.448 17.258 ( 8.052 3.558 -2.454) 9.138 17.377 ( 7.916 -1.740 1.933) 8.332 17.418 ( -0.021 1.963 -2.200) 2.949 17.486 ( 22.136 -3.717 -0.135) 22.446 17.878 ( -6.418 0.293 -9.369) 11.361 17.984 ( 5.854 -1.530 2.083) 6.399 18.251 ( -1.739 2.212 3.490) 4.483 18.529 ( -14.742 0.064 -0.792) 14.763 19.000 ( 6.634 -2.636 6.197) 9.453 19.361 ( 0.287 2.692 5.441) 6.078 19.403 ( 0.145 0.211 -3.610) 3.619 19.620 ( 1.713 -2.824 -3.165) 4.575 20.132 ( -8.069 8.662 7.190) 13.850 20.598 ( -0.470 18.921 -7.209) 20.253 21.418 ( 25.205 -16.812 0.639) 30.304 21.613 ( 19.970 -20.433 -1.278) 28.599 22.124 ( 5.943 -7.130 -1.592) 9.418 23.393 ( 16.909 1.600 16.093) 23.398 23.866 ( -21.354 5.377 -15.889) 27.154 24.704 ( -13.453 3.750 1.222) 14.019 25.207 ( -14.600 -0.386 1.782) 14.714 25.746 ( -12.613 -3.339 -9.501) 16.140 26.093 ( -0.982 7.901 9.155) 12.133 26.557 ( -1.570 3.421 0.510) 3.799 ======================= Grid point 115 (52/95) ======================= q-point: ( 0.56 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 6.940 6.415 13.394) 16.393 1.286 ( 4.825 1.464 9.491) 10.747 1.418 ( 3.267 -0.817 -3.138) 4.603 1.495 ( -1.232 -1.091 6.506) 6.711 1.793 ( 2.094 12.293 -0.993) 12.509 1.826 ( 1.246 8.258 3.510) 9.059 1.886 ( -6.742 16.324 -0.779) 17.679 1.923 ( -6.941 16.954 1.001) 18.347 2.109 ( -2.084 4.442 0.505) 4.933 2.141 ( -0.211 7.275 -0.037) 7.278 2.262 ( -4.123 -6.628 23.258) 24.533 2.493 ( 4.424 9.776 -17.384) 20.429 2.640 ( -4.139 1.247 -5.858) 7.280 2.789 ( 0.440 -0.297 1.360) 1.460 2.901 ( -2.324 4.089 -2.335) 5.251 2.976 ( -1.849 1.744 -0.186) 2.549 3.124 ( -1.431 2.632 -3.293) 4.452 3.241 ( -1.283 6.386 -5.542) 8.552 3.327 ( -6.989 2.102 -7.718) 10.622 3.594 ( -7.039 -1.516 -14.212) 15.932 3.783 ( 5.403 3.975 15.196) 16.610 4.169 ( 1.737 8.500 7.191) 11.268 4.412 ( 6.167 7.648 10.102) 14.092 4.573 ( 7.414 5.938 8.772) 12.930 4.934 ( 4.747 -5.686 -4.196) 8.513 5.018 ( 0.429 3.288 1.798) 3.772 5.282 ( 7.580 -3.975 -5.143) 9.986 5.343 ( 10.910 -2.075 0.386) 11.112 5.454 ( 4.865 -11.701 3.510) 13.149 5.554 ( 2.914 -12.394 -3.594) 13.229 5.604 ( -2.781 -5.365 5.487) 8.162 5.793 ( 12.763 -12.800 2.173) 18.206 5.987 ( -1.031 -6.571 2.199) 7.005 6.113 ( -7.500 -6.314 1.714) 9.953 6.196 ( -2.608 0.735 -1.908) 3.314 6.307 ( 3.932 3.861 -1.609) 5.741 6.417 ( 2.344 -3.803 -2.235) 4.995 6.498 ( -5.918 3.287 -1.117) 6.861 6.540 ( 0.253 0.832 -2.348) 2.504 6.779 ( -4.240 -1.250 5.815) 7.304 6.972 ( -2.111 -3.226 5.688) 6.872 7.090 ( 0.468 4.837 -10.072) 11.183 7.307 ( -2.264 -3.129 -5.394) 6.634 7.501 ( -1.343 -3.790 0.556) 4.060 7.636 ( 3.280 5.475 -2.547) 6.872 7.747 ( 1.887 1.659 2.621) 3.630 7.981 ( -0.666 -2.169 -1.868) 2.939 8.061 ( 0.201 -4.092 -1.579) 4.391 8.253 ( -9.295 3.819 -0.683) 10.072 8.465 ( -3.549 -0.252 -5.695) 6.715 8.507 ( -6.200 -8.356 1.582) 10.525 8.633 ( -2.398 -4.605 -1.759) 5.481 8.780 ( -0.285 5.654 3.361) 6.584 8.919 ( -2.884 6.702 -1.418) 7.433 9.033 ( -5.714 1.193 15.728) 16.776 9.506 ( 1.163 6.107 -5.204) 8.108 9.963 ( 0.469 -3.456 8.346) 9.045 10.310 ( 0.995 -2.707 -3.405) 4.462 10.403 ( 2.970 6.969 -4.540) 8.832 10.589 ( -2.082 7.763 -4.783) 9.352 10.785 ( 4.704 -0.468 3.545) 5.909 10.889 ( -4.183 -2.207 4.034) 6.216 12.229 ( -1.714 -3.691 1.832) 4.463 12.351 ( 1.863 -4.186 -6.447) 7.909 12.715 ( 3.066 1.474 4.757) 5.848 12.957 ( 1.224 -0.904 -1.789) 2.349 13.084 ( 1.046 -2.306 2.306) 3.425 13.278 ( 0.649 -3.093 -4.141) 5.209 14.137 ( -1.493 -2.051 6.686) 7.151 14.313 ( -4.256 -1.863 11.271) 12.191 14.752 ( -4.748 3.273 6.644) 8.798 15.397 ( 3.040 9.450 -10.976) 14.799 15.878 ( -3.003 -10.351 -2.215) 11.004 15.976 ( 3.729 -2.344 2.321) 4.978 16.121 ( 2.673 -0.573 -2.664) 3.817 16.234 ( -0.636 -1.219 -6.735) 6.874 16.638 ( 3.645 -0.478 3.083) 4.798 16.991 ( 2.575 -0.077 -4.753) 5.406 17.251 ( 5.258 3.842 -6.810) 9.422 17.329 ( -2.890 4.396 -2.624) 5.879 17.494 ( 4.995 -0.335 0.352) 5.018 17.762 ( 16.027 -3.150 6.358) 17.527 17.808 ( -3.176 -1.437 -9.163) 9.803 18.097 ( 2.418 -4.951 0.706) 5.555 18.187 ( -0.291 3.732 2.707) 4.619 18.369 ( -12.554 1.165 -1.915) 12.752 19.112 ( 1.462 1.435 6.361) 6.682 19.248 ( 5.275 7.852 3.252) 10.003 19.506 ( -1.651 -10.335 -0.786) 10.495 19.651 ( -0.855 -1.482 -3.025) 3.475 19.946 ( -8.144 4.109 5.989) 10.912 20.246 ( 0.170 16.482 -7.957) 18.303 21.992 ( 17.730 -19.791 0.081) 26.571 22.117 ( 13.168 -14.746 0.333) 19.773 22.388 ( 7.264 -13.310 3.781) 15.628 23.449 ( -22.140 3.823 -17.497) 28.477 23.596 ( 16.712 6.693 17.347) 25.000 24.450 ( -11.754 7.689 -4.443) 14.731 25.129 ( -6.965 -2.698 2.746) 7.958 25.614 ( -11.804 0.022 -15.147) 19.204 26.012 ( 4.347 6.173 15.926) 17.625 26.465 ( -1.397 4.397 -1.504) 4.853 ======================= Grid point 116 (53/95) ======================= q-point: (-0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 4.135 11.313 -5.738) 13.341 1.192 ( 4.336 15.075 -6.312) 16.908 1.298 ( 0.692 7.451 2.330) 7.838 1.487 ( 10.029 3.867 20.300) 22.970 1.637 ( -4.237 -5.807 4.138) 8.294 1.711 ( 1.828 -2.572 -4.904) 5.832 1.785 ( 0.713 1.789 1.827) 2.654 1.876 ( 1.362 -1.945 0.655) 2.463 2.011 ( -1.222 4.689 -0.490) 4.870 2.048 ( 2.008 4.801 1.565) 5.434 2.215 ( 7.477 12.389 -23.069) 27.232 2.483 ( 1.610 -3.680 15.857) 16.358 2.574 ( -7.781 -3.225 -4.754) 9.672 2.818 ( -0.736 -2.376 5.598) 6.126 2.845 ( 1.358 1.104 0.546) 1.833 2.938 ( -0.613 1.849 2.255) 2.980 3.073 ( -1.060 1.130 -2.755) 3.161 3.130 ( 0.992 1.955 -2.052) 3.003 3.224 ( -5.142 -1.180 -10.245) 11.524 3.518 ( -7.221 -2.289 -11.352) 13.647 3.771 ( -0.206 7.542 15.232) 16.998 4.091 ( 1.900 5.789 8.710) 10.630 4.306 ( -4.352 7.355 12.794) 15.386 4.574 ( 9.793 7.481 6.603) 13.981 4.796 ( -7.830 5.845 -3.731) 10.459 5.068 ( 6.556 2.314 -13.756) 15.413 5.333 ( 3.264 0.399 0.981) 3.431 5.450 ( 0.533 3.372 -0.011) 3.414 5.539 ( -1.182 -3.773 3.099) 5.023 5.776 ( 2.223 -8.703 -4.790) 10.180 5.820 ( 1.010 -7.478 7.555) 10.678 5.937 ( -1.181 4.031 0.908) 4.298 6.016 ( -11.444 -2.816 1.398) 11.868 6.112 ( -0.250 7.278 2.181) 7.601 6.206 ( 2.146 -2.126 -0.636) 3.087 6.279 ( 1.928 -2.846 -2.766) 4.413 6.405 ( 0.340 -0.230 -0.068) 0.417 6.505 ( 1.262 0.291 1.132) 1.720 6.571 ( 5.994 -3.221 -5.210) 8.570 6.814 ( -0.060 6.744 1.254) 6.859 6.910 ( -2.549 -4.701 6.637) 8.523 7.097 ( -1.329 -5.264 -4.158) 6.839 7.347 ( 1.337 -4.906 -6.229) 8.041 7.444 ( -5.368 2.569 -3.436) 6.871 7.654 ( 2.326 -6.083 3.926) 7.604 7.850 ( 3.824 -4.922 -3.321) 7.063 7.968 ( 1.733 1.147 1.309) 2.457 8.112 ( -1.962 3.934 -3.530) 5.638 8.256 ( 5.985 -7.932 1.226) 10.012 8.396 ( -5.968 -2.503 -6.214) 8.971 8.643 ( 5.507 1.858 0.002) 5.812 8.668 ( -0.821 -9.686 0.222) 9.723 8.765 ( -1.717 2.184 -0.440) 2.813 8.792 ( -1.876 -0.710 -0.247) 2.021 9.023 ( -3.748 -0.858 15.859) 16.318 9.395 ( 1.271 6.135 -2.256) 6.659 10.070 ( 1.286 -5.018 7.382) 9.018 10.281 ( 1.818 7.079 -2.865) 7.850 10.321 ( 0.130 0.150 -4.523) 4.528 10.429 ( -4.357 5.465 -4.135) 8.121 10.819 ( 1.743 2.660 4.011) 5.119 10.905 ( -1.226 -2.025 1.041) 2.586 12.277 ( -2.443 -3.513 1.519) 4.541 12.383 ( 0.553 0.462 -2.942) 3.029 12.741 ( 3.185 0.801 4.247) 5.369 12.947 ( -3.166 0.592 -4.138) 5.244 13.135 ( 0.900 -1.144 4.431) 4.663 13.328 ( 0.521 -3.085 -4.529) 5.504 14.234 ( 4.221 -5.831 5.120) 8.833 14.378 ( -0.581 -3.994 8.098) 9.048 14.654 ( -3.316 3.691 4.706) 6.839 15.250 ( 0.071 4.881 -11.959) 12.917 15.946 ( -4.251 -1.917 1.801) 4.999 16.071 ( 1.342 -0.465 -0.727) 1.595 16.114 ( -0.552 -1.316 2.105) 2.543 16.267 ( 0.310 -4.678 0.021) 4.688 16.684 ( 2.472 0.861 1.951) 3.265 16.943 ( -1.278 5.274 -6.121) 8.180 17.162 ( 1.920 8.649 -3.419) 9.497 17.215 ( -0.597 3.478 -8.919) 9.592 17.498 ( -1.184 1.669 4.739) 5.162 17.770 ( -4.236 0.325 -4.954) 6.526 17.915 ( 3.823 2.127 8.986) 9.994 18.136 ( -0.526 -3.403 1.293) 3.678 18.205 ( 2.999 5.632 -2.108) 6.720 18.289 ( -2.301 -8.942 -6.261) 11.155 18.957 ( -5.135 11.308 8.229) 14.898 19.238 ( 7.537 6.227 -3.329) 10.328 19.579 ( -7.455 1.830 4.360) 8.828 19.742 ( 2.230 -11.563 2.076) 11.958 19.920 ( -2.381 -6.461 -3.042) 7.527 20.015 ( 5.237 7.832 -4.827) 10.586 22.326 ( -0.085 0.739 0.364) 0.828 22.341 ( 0.727 -0.846 -0.190) 1.132 22.711 ( 8.499 -9.580 5.709) 14.021 23.115 ( -14.817 0.177 -12.756) 19.552 23.750 ( 12.087 -1.999 13.258) 18.052 24.253 ( -4.961 0.017 -9.235) 10.483 25.170 ( 1.389 -3.351 4.555) 5.822 25.464 ( -6.298 -0.050 -9.265) 11.203 26.049 ( 5.273 0.686 11.743) 12.891 26.381 ( -1.342 2.122 -3.695) 4.467 ======================= Grid point 117 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -3.887 -12.951 -6.361) 14.943 1.167 ( -2.235 -14.652 -11.780) 18.932 1.347 ( 4.290 -7.041 -7.393) 11.074 1.614 ( 11.341 1.977 12.460) 16.964 1.687 ( 5.095 5.470 -9.313) 11.942 1.738 ( 0.054 -2.035 3.475) 4.028 1.803 ( 13.676 5.668 1.603) 14.891 1.879 ( 0.668 2.817 -1.203) 3.135 1.965 ( 12.382 3.999 -2.706) 13.290 2.078 ( 8.030 -0.939 -1.816) 8.286 2.102 ( 13.954 4.794 -3.930) 15.269 2.462 ( -2.894 2.154 -16.580) 16.968 2.650 ( -3.828 -6.966 10.106) 12.858 2.859 ( -4.477 1.350 2.618) 5.359 2.878 ( 3.243 -0.996 2.993) 4.524 2.922 ( 0.289 -2.378 11.182) 11.435 3.031 ( -0.382 1.259 -2.818) 3.110 3.170 ( -1.404 -4.598 -1.303) 4.981 3.308 ( -2.798 -14.866 -0.710) 15.143 3.481 ( -4.271 -4.626 -10.482) 12.227 3.624 ( -5.227 6.941 19.947) 21.757 3.954 ( -8.321 10.302 13.603) 18.984 4.213 ( -2.255 0.953 1.118) 2.692 4.534 ( -1.215 4.178 3.586) 5.638 4.638 ( 3.315 9.236 -0.370) 9.820 4.973 ( 11.061 10.567 -21.517) 26.401 5.213 ( -8.440 11.312 0.141) 14.114 5.418 ( 7.440 3.882 7.740) 11.416 5.547 ( -1.480 6.805 -3.291) 7.703 5.700 ( -1.018 10.743 4.018) 11.515 5.781 ( -7.655 3.782 -4.451) 9.629 5.834 ( -4.381 1.241 -0.885) 4.638 6.001 ( -14.593 -1.498 0.947) 14.700 6.038 ( -10.830 0.801 -3.112) 11.297 6.173 ( 2.957 1.983 6.966) 7.823 6.297 ( 10.562 2.101 1.430) 10.863 6.445 ( 2.349 1.800 -4.050) 5.016 6.585 ( 4.317 0.602 -2.099) 4.838 6.598 ( -0.510 -5.945 8.548) 10.424 6.807 ( 2.753 -3.060 -2.080) 4.612 7.049 ( 1.919 -7.918 1.432) 8.272 7.108 ( -4.374 1.692 0.478) 4.714 7.367 ( -1.082 -2.484 -4.471) 5.228 7.530 ( 4.852 -9.903 -5.381) 12.271 7.759 ( -2.911 0.068 -1.774) 3.409 7.944 ( 2.275 -6.764 -1.805) 7.361 8.028 ( 3.340 -1.044 -0.266) 3.509 8.070 ( 7.685 -1.794 -2.099) 8.166 8.410 ( -1.778 -7.224 0.322) 7.447 8.442 ( 0.279 -6.957 -0.253) 6.968 8.650 ( -5.539 1.910 -2.551) 6.390 8.699 ( -1.587 -3.291 0.282) 3.664 8.831 ( 3.798 -3.947 3.189) 6.339 8.872 ( 0.437 -7.716 0.639) 7.754 9.076 ( -0.609 -2.459 9.368) 9.704 9.316 ( 1.946 3.880 0.920) 4.437 10.149 ( 3.456 5.288 1.316) 6.453 10.232 ( -1.380 -1.057 2.805) 3.300 10.274 ( -3.300 0.688 -5.922) 6.814 10.320 ( 0.513 -1.144 -1.641) 2.065 10.765 ( 0.781 5.577 4.967) 7.509 10.908 ( 0.459 1.851 -2.103) 2.839 12.297 ( -4.248 -1.479 0.004) 4.498 12.370 ( 3.894 1.438 1.362) 4.369 12.774 ( 2.161 0.097 4.569) 5.055 12.840 ( -6.539 3.449 -5.878) 9.445 13.167 ( 0.448 -0.091 4.411) 4.434 13.363 ( 0.362 -1.210 -4.538) 4.711 14.386 ( -5.548 -3.799 0.322) 6.732 14.495 ( 8.220 -8.649 3.043) 12.313 14.658 ( 3.518 -2.075 10.747) 11.497 15.148 ( -0.699 1.791 -13.741) 13.875 15.897 ( -2.638 3.779 4.268) 6.281 15.986 ( -2.139 5.255 -1.468) 5.860 16.205 ( -3.043 -5.483 6.024) 8.695 16.364 ( -1.664 -4.006 4.887) 6.534 16.664 ( -0.729 2.752 1.207) 3.092 16.735 ( -5.316 10.401 -6.514) 13.374 17.007 ( -1.564 6.180 -3.411) 7.230 17.130 ( 6.139 6.643 -8.044) 12.105 17.465 ( -1.301 1.932 4.784) 5.321 17.682 ( -5.837 2.081 -1.059) 6.287 17.886 ( 4.150 5.475 2.724) 7.391 18.040 ( -0.480 9.138 -1.175) 9.226 18.277 ( 1.427 -4.008 1.064) 4.385 18.436 ( 0.423 -9.310 -6.478) 11.350 18.733 ( -5.024 8.312 7.506) 12.275 19.105 ( -3.222 8.537 -1.928) 9.327 19.541 ( 4.924 0.325 1.208) 5.080 19.881 ( 7.596 5.440 -4.348) 10.305 20.010 ( 3.520 -11.875 4.127) 13.055 20.169 ( 4.356 -12.018 -2.767) 13.079 21.997 ( -9.741 27.242 -0.212) 28.932 22.074 ( -7.772 20.648 -1.192) 22.094 22.789 ( -5.446 3.004 3.543) 7.158 23.159 ( 3.488 -8.242 -10.075) 13.476 24.055 ( 9.681 -14.159 13.021) 21.534 24.297 ( -3.790 -11.747 -10.744) 16.364 25.259 ( -1.033 -4.371 5.522) 7.118 25.497 ( 1.957 -7.879 -3.431) 8.814 26.147 ( 4.898 -2.062 8.146) 9.726 26.346 ( -2.077 -1.637 -5.553) 6.150 ======================= Grid point 118 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -7.242 -14.845 -6.120) 17.614 1.399 ( -2.081 -0.149 -15.091) 15.235 1.494 ( -0.417 -14.426 -12.306) 18.966 1.633 ( 10.359 -6.519 -15.068) 19.413 1.706 ( 5.993 3.273 4.655) 8.265 1.750 ( -3.839 -2.401 -1.421) 4.746 1.844 ( 4.252 -0.785 4.393) 6.164 1.933 ( 5.598 -0.507 5.221) 7.672 2.078 ( 15.885 1.134 -1.985) 16.048 2.178 ( 16.002 1.527 -2.288) 16.236 2.235 ( 17.547 4.672 -2.198) 18.291 2.325 ( -0.915 1.997 -15.257) 15.414 2.721 ( -2.780 -1.082 2.511) 3.899 2.804 ( -2.948 -1.203 9.169) 9.706 2.933 ( 3.731 -0.085 2.542) 4.515 3.011 ( 0.811 -0.718 -0.364) 1.142 3.060 ( 2.490 -4.626 12.129) 13.217 3.159 ( -5.387 -0.882 -6.396) 8.409 3.341 ( -5.912 7.069 19.408) 21.484 3.562 ( -10.167 0.563 13.280) 16.735 3.713 ( -2.731 -12.641 3.240) 13.332 3.893 ( 0.048 -16.504 2.300) 16.663 4.165 ( -3.942 0.286 -6.742) 7.815 4.427 ( -3.513 2.974 -2.948) 5.466 4.464 ( 4.236 16.831 2.115) 17.484 4.815 ( 11.315 13.576 -16.813) 24.393 4.952 ( 1.404 9.814 3.783) 10.612 5.334 ( 6.747 9.569 -8.939) 14.731 5.391 ( -9.404 7.399 2.731) 12.273 5.487 ( -9.043 12.841 -0.819) 15.727 5.571 ( 2.834 6.412 3.391) 7.787 5.745 ( -7.695 5.248 -2.362) 9.609 5.831 ( -2.935 5.603 -3.209) 7.092 5.927 ( -0.206 -0.779 -0.217) 0.834 6.273 ( 5.450 -0.586 -0.979) 5.568 6.315 ( -2.416 -0.410 7.560) 7.948 6.437 ( 1.063 0.131 -2.501) 2.721 6.631 ( 0.429 -1.565 -1.738) 2.378 6.735 ( -0.722 -7.111 13.402) 15.189 6.845 ( 1.599 2.255 -4.996) 5.710 7.003 ( -2.861 3.769 5.271) 7.083 7.221 ( 4.577 -5.619 -1.018) 7.318 7.395 ( -1.588 -2.920 -4.126) 5.298 7.629 ( -6.956 3.719 -6.334) 10.116 7.747 ( 6.228 -8.518 -7.946) 13.209 8.007 ( 5.644 1.244 -3.345) 6.677 8.178 ( 2.038 -9.859 5.031) 11.254 8.255 ( 2.072 -6.969 -1.466) 7.417 8.539 ( -4.409 -3.159 0.549) 5.452 8.556 ( -2.539 -7.561 -0.176) 7.978 8.596 ( -7.466 -8.479 2.321) 11.533 8.711 ( -4.341 -6.481 1.163) 7.887 8.980 ( -1.281 -4.866 -0.249) 5.038 8.992 ( 5.479 -5.362 0.528) 7.684 9.117 ( -2.405 -1.013 5.442) 6.035 9.317 ( 2.184 -0.981 3.678) 4.389 10.069 ( -1.054 6.709 -4.399) 8.091 10.081 ( 0.406 5.829 -0.885) 5.910 10.337 ( -0.096 -0.707 2.211) 2.324 10.432 ( 1.079 -9.867 -0.775) 9.956 10.680 ( 2.091 7.277 5.255) 9.217 10.847 ( 2.965 4.386 -3.554) 6.376 12.264 ( -1.482 1.044 1.298) 2.230 12.420 ( 4.407 -0.657 1.852) 4.825 12.685 ( -7.779 2.691 -5.647) 9.982 12.812 ( 1.730 -0.540 4.544) 4.892 13.172 ( 0.028 1.044 2.851) 3.036 13.332 ( -0.960 2.968 -4.520) 5.492 14.366 ( -6.869 -3.365 0.311) 7.656 14.770 ( 4.951 -9.658 -1.072) 10.906 14.774 ( -1.558 -4.991 4.137) 6.668 15.144 ( 8.732 -2.513 -3.084) 9.596 15.796 ( -1.627 5.573 1.581) 6.017 15.861 ( -0.632 6.547 -0.244) 6.582 16.177 ( -7.995 7.493 5.548) 12.282 16.345 ( -10.800 0.118 9.855) 14.621 16.532 ( 2.269 7.637 -2.835) 8.457 16.608 ( 0.872 0.540 -1.079) 1.489 16.970 ( 2.585 -2.551 -3.619) 5.127 17.035 ( 7.405 9.901 -5.818) 13.664 17.423 ( 0.135 4.050 0.438) 4.076 17.569 ( -2.568 5.380 1.764) 6.217 17.841 ( 6.918 6.661 0.301) 9.608 17.874 ( 3.074 8.649 -0.891) 9.222 18.284 ( -5.695 -0.639 1.668) 5.969 18.536 ( 4.538 2.165 -0.708) 5.078 18.688 ( -4.261 -7.984 0.448) 9.061 18.950 ( -3.923 2.829 1.858) 5.181 19.638 ( 10.382 -1.227 -2.425) 10.732 19.866 ( 7.731 4.844 -1.036) 9.182 20.268 ( 4.341 -9.588 2.820) 10.896 20.420 ( 7.936 -9.616 -2.315) 12.681 21.342 ( -6.381 32.973 0.123) 33.585 21.537 ( -6.258 27.535 -2.515) 28.349 22.643 ( -4.362 6.936 3.224) 8.805 23.211 ( 4.815 4.914 -10.145) 12.258 24.429 ( -5.188 -17.456 -0.818) 18.229 24.499 ( -0.573 -16.722 4.152) 17.239 25.380 ( -4.280 -11.116 5.266) 13.024 25.668 ( 1.103 -7.816 -0.817) 7.935 26.263 ( 3.340 -3.678 6.405) 8.106 26.356 ( -3.945 -4.717 -7.029) 9.339 ======================= Grid point 123 (56/95) ======================= q-point: ( 0.44 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 10.644 0.000 23.033) 25.374 1.292 ( 0.978 0.000 0.890) 1.322 1.341 ( 2.206 0.000 -1.299) 2.560 1.679 ( -0.515 -0.000 21.819) 21.825 1.764 ( -6.308 -0.000 25.390) 26.162 1.944 ( -9.744 -0.000 0.826) 9.779 2.078 ( -8.363 -0.000 6.820) 10.791 2.161 ( 0.249 0.000 -1.064) 1.093 2.172 ( -0.197 -0.000 1.010) 1.029 2.569 ( -2.753 -0.000 -2.921) 4.013 2.655 ( 9.640 0.000 0.976) 9.689 2.711 ( 9.414 0.000 -0.413) 9.423 2.765 ( 7.858 0.000 -0.470) 7.872 2.813 ( 1.123 0.000 -8.569) 8.642 2.980 ( 0.853 0.000 -1.596) 1.810 3.132 ( 3.168 0.000 -13.537) 13.903 3.207 ( -10.949 -0.000 -0.900) 10.986 3.229 ( -1.894 -0.000 -11.414) 11.570 3.464 ( 0.731 0.000 -13.054) 13.074 3.608 ( -6.347 -0.000 0.160) 6.349 4.000 ( 1.950 0.000 5.070) 5.432 4.344 ( 5.928 0.000 10.848) 12.363 4.446 ( -1.646 -0.000 -2.854) 3.294 4.610 ( 2.170 0.000 8.810) 9.074 4.911 ( 22.967 0.000 -2.510) 23.103 4.995 ( 1.238 0.000 10.734) 10.806 5.103 ( 10.738 0.000 1.976) 10.919 5.136 ( -2.788 -0.000 4.106) 4.963 5.220 ( 6.129 0.000 -5.073) 7.956 5.300 ( 10.285 0.000 1.815) 10.444 5.460 ( -4.606 -0.000 8.103) 9.320 5.508 ( 1.445 0.000 -3.391) 3.686 5.760 ( -12.820 -0.000 6.532) 14.388 5.874 ( -3.341 -0.000 -2.420) 4.126 6.211 ( 7.138 0.000 0.575) 7.161 6.345 ( -4.236 -0.000 2.227) 4.786 6.381 ( -0.247 -0.000 -2.079) 2.093 6.558 ( 3.499 0.000 -6.806) 7.653 6.700 ( -4.906 -0.000 1.882) 5.254 6.732 ( -2.719 -0.000 -6.727) 7.255 6.886 ( -11.141 -0.000 5.417) 12.388 7.097 ( 1.205 0.000 -10.030) 10.103 7.338 ( 4.561 0.000 3.067) 5.496 7.359 ( 4.943 0.000 3.008) 5.786 7.670 ( -4.132 -0.000 -0.095) 4.133 7.789 ( 9.135 0.000 -5.454) 10.639 8.058 ( -3.475 -0.000 1.440) 3.762 8.106 ( -0.471 -0.000 0.182) 0.505 8.308 ( -3.854 -0.000 0.346) 3.870 8.390 ( -9.143 -0.000 -0.551) 9.160 8.415 ( -10.772 -0.000 -0.633) 10.790 8.452 ( -6.496 -0.000 -5.095) 8.255 8.980 ( -2.494 -0.000 2.840) 3.780 9.038 ( -6.313 -0.000 13.324) 14.744 9.082 ( -0.937 -0.000 1.235) 1.551 9.639 ( 1.254 0.000 -8.081) 8.178 9.911 ( 2.442 0.000 7.622) 8.004 10.202 ( 2.033 0.000 -0.194) 2.042 10.515 ( -0.124 -0.000 -2.828) 2.831 10.765 ( -3.223 -0.000 10.223) 10.719 10.813 ( 2.538 0.000 -0.150) 2.542 10.859 ( -0.034 -0.000 -8.791) 8.791 12.105 ( -3.213 -0.000 1.646) 3.610 12.245 ( 5.419 0.000 -9.758) 11.161 12.749 ( 1.228 0.000 7.452) 7.553 12.954 ( 1.947 0.000 -2.076) 2.846 13.009 ( 1.835 0.000 0.389) 1.876 13.215 ( -0.887 -0.000 -4.135) 4.229 14.089 ( -2.631 -0.000 11.589) 11.884 14.299 ( -5.401 -0.000 10.714) 11.999 14.865 ( -2.743 -0.000 15.026) 15.274 15.546 ( -1.291 -0.000 -4.277) 4.467 15.765 ( 3.629 0.000 -3.571) 5.091 15.891 ( 4.673 0.000 -2.780) 5.437 16.018 ( 3.981 0.000 -18.779) 19.196 16.191 ( 1.069 0.000 -7.602) 7.677 16.686 ( -3.401 -0.000 3.326) 4.757 16.866 ( 4.479 0.000 -6.942) 8.262 17.322 ( -0.207 -0.000 3.216) 3.222 17.428 ( -0.093 -0.000 -2.002) 2.004 17.491 ( 16.327 0.000 -8.609) 18.458 17.670 ( 11.434 0.000 -0.601) 11.449 17.794 ( 1.112 0.000 -4.891) 5.015 18.032 ( 2.865 0.000 3.788) 4.749 18.256 ( -2.549 -0.000 1.259) 2.843 18.354 ( -15.885 -0.000 -1.304) 15.939 19.035 ( 2.786 0.000 7.605) 8.099 19.352 ( 2.158 0.000 -3.273) 3.920 19.479 ( -0.478 -0.000 3.177) 3.212 19.595 ( 1.592 0.000 -2.488) 2.954 20.172 ( -7.399 -0.000 10.844) 13.128 20.781 ( -2.847 -0.000 -11.551) 11.897 21.502 ( 12.844 0.000 0.895) 12.875 21.506 ( 18.005 0.000 -2.514) 18.180 22.167 ( 9.385 0.000 10.768) 14.284 23.462 ( -12.644 -0.000 -15.289) 19.840 23.826 ( 10.373 0.000 11.934) 15.812 24.615 ( -10.710 -0.000 -0.574) 10.725 25.081 ( -9.464 -0.000 2.207) 9.718 25.547 ( -11.193 -0.000 -14.693) 18.471 26.205 ( 2.609 0.000 12.089) 12.367 26.574 ( -1.579 -0.000 -0.428) 1.636 ======================= Grid point 124 (57/95) ======================= q-point: (-0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -0.219 -0.491 2.121) 2.188 1.378 ( 2.068 -2.810 1.587) 3.833 1.446 ( 7.680 0.642 24.034) 25.240 1.573 ( 0.234 7.718 21.022) 22.395 1.837 ( -0.229 1.185 5.868) 5.991 1.855 ( 0.356 3.513 2.289) 4.208 2.122 ( -4.580 -7.502 23.272) 24.876 2.142 ( -0.052 2.981 0.205) 2.988 2.148 ( -0.549 1.622 1.116) 2.044 2.442 ( -0.547 22.925 -1.397) 22.974 2.511 ( -0.668 11.641 -5.736) 12.995 2.577 ( -3.190 19.286 -1.055) 19.576 2.686 ( 1.130 5.884 -9.147) 10.934 2.804 ( 2.733 1.381 -4.874) 5.755 2.966 ( 0.753 3.716 -3.623) 5.244 3.007 ( 1.102 4.121 -3.868) 5.758 3.143 ( -2.429 2.310 -9.253) 9.841 3.217 ( 2.722 -2.873 -6.663) 7.750 3.390 ( -0.331 6.412 -6.139) 8.883 3.479 ( -6.116 2.157 -11.117) 12.871 3.981 ( 6.678 6.684 11.910) 15.203 4.324 ( -1.305 7.304 -1.361) 7.544 4.540 ( 0.673 -2.453 10.692) 10.991 4.604 ( -7.188 -4.042 12.700) 15.142 4.997 ( 3.885 3.840 -1.689) 5.718 5.087 ( 4.004 1.599 0.483) 4.339 5.224 ( 3.062 -6.023 0.104) 6.758 5.262 ( -0.316 -12.015 2.883) 12.360 5.321 ( -10.160 -7.087 -1.072) 12.434 5.383 ( 4.704 -5.453 -0.820) 7.248 5.520 ( 3.868 -5.269 10.227) 12.137 5.641 ( 4.986 -9.894 1.377) 11.165 5.755 ( -13.285 -12.645 -0.237) 18.342 5.910 ( 6.203 -4.255 0.626) 7.548 6.272 ( -1.517 4.289 -1.315) 4.735 6.309 ( 0.274 -0.518 -3.228) 3.281 6.364 ( 2.295 -4.522 0.197) 5.075 6.560 ( 1.912 4.149 -7.735) 8.983 6.601 ( 0.768 3.554 2.766) 4.569 6.733 ( -5.766 -0.054 -0.455) 5.784 6.824 ( -3.413 -5.838 5.065) 8.449 7.147 ( 0.219 -4.460 -9.805) 10.774 7.294 ( 5.890 6.002 0.673) 8.436 7.485 ( 4.038 -1.056 2.420) 4.824 7.647 ( -3.516 -1.555 0.775) 3.922 7.904 ( -3.900 -3.356 -5.200) 7.315 7.955 ( 8.146 7.770 1.601) 11.370 8.006 ( -2.561 3.656 -1.213) 4.625 8.252 ( -1.205 0.871 1.725) 2.277 8.366 ( 0.634 -2.478 1.000) 2.746 8.419 ( -0.538 -0.726 -6.664) 6.725 8.469 ( 0.629 -8.866 -2.759) 9.307 8.906 ( -0.330 5.670 3.871) 6.873 9.010 ( -0.956 3.486 2.547) 4.422 9.058 ( -2.423 2.278 12.890) 13.312 9.590 ( 0.816 3.514 -7.511) 8.333 9.958 ( 0.853 -0.707 9.136) 9.203 10.250 ( 0.464 -3.386 -2.289) 4.113 10.468 ( -3.386 1.777 -2.558) 4.600 10.684 ( -3.572 6.409 -6.252) 9.639 10.806 ( -3.551 -2.452 4.914) 6.540 10.879 ( 6.588 2.600 1.594) 7.260 12.119 ( -3.565 -4.266 0.611) 5.593 12.301 ( 4.217 -3.292 -7.760) 9.425 12.764 ( -0.377 0.697 6.719) 6.765 12.951 ( -1.148 -0.086 -2.322) 2.592 13.057 ( 1.868 -1.828 1.887) 3.224 13.204 ( -1.968 -2.601 -5.236) 6.169 14.143 ( 3.351 -1.223 12.429) 12.930 14.295 ( -1.432 -0.439 10.536) 10.642 14.827 ( -2.352 5.407 12.394) 13.725 15.564 ( 0.417 1.269 -4.593) 4.783 15.667 ( -2.558 0.802 -11.794) 12.095 15.973 ( 3.570 -3.187 2.460) 5.381 16.076 ( 1.810 -4.917 -11.517) 12.653 16.176 ( -1.037 -1.074 -9.164) 9.285 16.647 ( -2.510 -0.352 4.399) 5.077 16.926 ( -0.075 -4.321 -7.155) 8.359 17.305 ( -1.027 1.899 0.828) 2.313 17.397 ( 0.156 3.252 -2.313) 3.994 17.549 ( 0.994 2.719 -6.083) 6.737 17.698 ( 3.072 -4.335 -9.820) 11.166 17.936 ( 10.207 1.093 6.589) 12.198 18.020 ( -6.813 -2.402 2.020) 7.501 18.211 ( -4.559 0.968 0.355) 4.674 18.263 ( -1.684 -1.403 -1.071) 2.439 19.107 ( -0.476 -3.338 7.038) 7.804 19.388 ( 0.088 0.080 -4.284) 4.286 19.401 ( 0.350 3.220 5.921) 6.749 19.635 ( 2.637 -1.763 -4.883) 5.823 20.038 ( -5.248 10.195 11.248) 16.062 20.544 ( 1.547 16.075 -10.427) 19.223 21.744 ( 0.150 -17.574 0.945) 17.600 21.816 ( -0.096 -18.481 -2.865) 18.702 22.378 ( 13.308 -5.982 16.873) 22.307 23.195 ( -22.517 0.790 -20.631) 30.550 23.983 ( 19.870 7.367 15.928) 26.510 24.465 ( -6.852 5.450 -6.378) 10.833 25.055 ( 0.458 -2.183 3.881) 4.476 25.438 ( -6.317 -2.472 -15.363) 16.795 26.227 ( 5.365 5.804 13.196) 15.382 26.521 ( -1.315 3.548 -2.072) 4.314 ======================= Grid point 125 (58/95) ======================= q-point: (-0.33 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -2.769 6.907 4.355) 8.622 1.398 ( -4.672 2.801 6.377) 8.387 1.453 ( 0.464 -1.383 -0.521) 1.549 1.657 ( 0.563 5.838 9.266) 10.966 1.773 ( 2.279 10.790 7.186) 13.162 1.856 ( 10.341 9.754 -0.472) 14.223 1.943 ( 5.183 14.099 5.607) 16.034 1.965 ( 9.208 14.404 2.480) 17.275 2.098 ( 1.250 4.774 -0.793) 4.998 2.162 ( 2.097 5.753 3.485) 7.046 2.312 ( -6.644 -7.405 20.536) 22.819 2.467 ( -4.806 2.864 -14.950) 15.963 2.515 ( 5.616 6.554 -11.911) 14.709 2.798 ( -0.066 -0.140 -0.565) 0.586 2.905 ( 3.371 2.725 -2.068) 4.803 2.975 ( -0.745 1.936 -0.584) 2.155 3.068 ( -2.144 0.589 -5.696) 6.114 3.212 ( 2.867 5.124 -3.536) 6.854 3.267 ( 6.313 8.083 -3.432) 10.815 3.381 ( -3.693 -1.142 -12.965) 13.529 3.950 ( 0.536 7.304 13.193) 15.089 4.206 ( 0.071 4.815 -0.614) 4.854 4.378 ( -13.802 6.394 15.170) 21.483 4.761 ( -7.482 7.905 4.229) 11.677 4.779 ( -1.589 -2.413 -1.277) 3.159 5.138 ( 6.281 0.008 -4.835) 7.926 5.300 ( -4.044 -3.313 0.988) 5.320 5.383 ( -6.820 -6.667 3.477) 10.151 5.473 ( -6.504 -12.756 2.472) 14.530 5.505 ( -2.974 -8.719 -0.304) 9.217 5.695 ( 1.003 -6.765 9.950) 12.074 5.713 ( -16.082 -5.192 -4.893) 17.593 5.932 ( 2.500 -7.730 -0.507) 8.140 6.124 ( 3.571 -6.272 0.246) 7.222 6.212 ( 3.252 -0.492 -1.939) 3.818 6.287 ( -3.851 1.146 1.082) 4.161 6.406 ( -0.914 1.569 -2.738) 3.285 6.535 ( 4.774 -2.398 -5.470) 7.646 6.597 ( 5.812 1.947 3.057) 6.849 6.741 ( 1.927 -4.207 0.639) 4.672 6.946 ( -2.550 -7.739 7.507) 11.079 7.088 ( -0.593 8.587 -5.829) 10.395 7.293 ( 5.731 -0.543 -4.612) 7.376 7.480 ( 0.809 4.373 -9.877) 10.831 7.631 ( -0.908 -0.833 7.496) 7.597 7.794 ( -4.301 -0.223 0.108) 4.308 7.964 ( 1.100 -2.128 -1.541) 2.848 8.102 ( 6.964 -4.815 -2.130) 8.730 8.290 ( 5.039 2.191 -0.335) 5.505 8.360 ( 7.101 1.903 -5.588) 9.235 8.526 ( 4.913 -6.604 2.659) 8.650 8.619 ( 1.679 -6.183 -3.617) 7.358 8.834 ( 3.439 4.195 2.381) 5.924 8.895 ( 1.634 9.213 -2.550) 9.698 9.046 ( -2.835 0.990 18.305) 18.549 9.505 ( 1.431 4.909 -4.572) 6.859 10.025 ( 0.663 -3.362 9.017) 9.646 10.288 ( -0.825 -1.766 -4.816) 5.196 10.376 ( -3.331 3.485 -2.390) 5.381 10.489 ( -4.290 7.843 -5.889) 10.705 10.828 ( -3.872 -2.134 2.796) 5.231 10.908 ( 4.983 1.326 3.400) 6.176 12.163 ( -4.176 -4.734 0.152) 6.315 12.383 ( 3.585 -2.591 -4.413) 6.248 12.767 ( -1.891 -0.254 6.442) 6.718 12.913 ( -3.657 0.677 -3.896) 5.386 13.115 ( 0.512 -2.453 3.163) 4.036 13.238 ( -1.539 -4.454 -4.696) 6.653 14.246 ( 5.598 -0.882 8.862) 10.519 14.372 ( 5.472 -2.681 10.024) 11.731 14.728 ( -1.938 5.520 8.157) 10.038 15.369 ( 1.424 11.333 -15.773) 19.475 15.764 ( -5.373 -11.008 2.788) 12.563 16.054 ( -1.386 -1.514 -0.046) 2.053 16.096 ( -2.681 -0.975 -4.354) 5.205 16.182 ( 0.501 -4.332 -5.436) 6.969 16.681 ( -1.760 -2.900 4.952) 6.002 16.934 ( -3.638 -0.436 -8.391) 9.156 17.215 ( -5.085 4.851 -3.137) 7.696 17.318 ( 2.492 4.649 -3.733) 6.463 17.501 ( -3.088 -0.772 -0.319) 3.198 17.733 ( -4.157 2.262 -1.018) 4.840 17.888 ( -9.752 -6.677 -2.357) 12.051 18.099 ( -0.501 0.549 0.421) 0.854 18.175 ( 2.976 -0.896 3.703) 4.835 18.307 ( 7.033 0.426 -1.952) 7.311 19.103 ( -3.306 6.199 5.223) 8.754 19.289 ( -6.817 1.500 4.364) 8.232 19.518 ( 3.973 -7.064 -0.735) 8.138 19.701 ( 7.303 -3.097 -6.123) 10.021 19.837 ( -3.713 6.361 6.714) 9.966 20.283 ( 6.373 14.066 -5.926) 16.540 22.015 ( -17.743 -19.036 -0.120) 26.023 22.076 ( -11.932 -17.579 0.643) 21.256 22.715 ( 12.706 -7.055 15.416) 21.186 22.900 ( -18.560 -1.404 -15.876) 24.464 24.054 ( 17.680 10.214 11.913) 23.639 24.275 ( 0.006 7.163 -12.633) 14.522 25.183 ( 9.255 -3.587 5.897) 11.545 25.388 ( -0.828 -0.024 -11.190) 11.220 26.216 ( 6.878 5.945 11.788) 14.886 26.421 ( -1.109 4.730 -4.297) 6.486 ======================= Grid point 126 (59/95) ======================= q-point: (-0.22 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 2.824 7.694 -10.239) 13.115 1.199 ( 3.723 15.581 -7.029) 17.494 1.339 ( 1.840 7.008 1.075) 7.325 1.573 ( -3.416 -5.076 4.179) 7.410 1.690 ( 2.548 -0.135 -4.627) 5.284 1.870 ( 7.337 2.499 7.692) 10.920 1.964 ( 1.907 3.248 -0.305) 3.779 2.021 ( 9.320 5.097 3.334) 11.133 2.123 ( 16.290 -3.775 -5.465) 17.592 2.212 ( 7.288 3.624 -5.030) 9.568 2.284 ( 13.693 1.107 -6.386) 15.150 2.323 ( -5.402 -2.610 -14.461) 15.656 2.586 ( -1.181 -3.735 17.932) 18.355 2.802 ( -4.097 -1.627 2.398) 5.018 2.903 ( 0.185 0.781 -1.196) 1.441 2.935 ( 1.439 0.276 4.093) 4.348 3.045 ( 0.641 0.547 -0.602) 1.035 3.162 ( -0.093 4.587 -4.168) 6.199 3.192 ( 6.245 0.282 -0.327) 6.259 3.371 ( 3.986 -0.640 -5.878) 7.131 3.777 ( -9.334 10.182 17.020) 21.920 4.101 ( -4.033 9.803 8.988) 13.898 4.199 ( -7.175 2.222 2.918) 8.058 4.507 ( -10.933 2.854 -4.476) 12.153 4.831 ( 3.319 3.100 1.999) 4.962 5.129 ( -5.196 1.166 -4.929) 7.256 5.242 ( -0.094 3.958 -6.979) 8.024 5.447 ( -5.858 -3.138 8.116) 10.490 5.540 ( -25.571 -8.143 -2.638) 26.965 5.605 ( 1.775 -1.406 -4.131) 4.711 5.650 ( -4.678 -10.670 -0.311) 11.655 5.809 ( -3.090 -2.728 8.039) 9.034 5.953 ( -6.403 6.040 0.454) 8.814 6.004 ( 1.277 8.897 0.252) 8.992 6.242 ( -6.981 1.017 1.095) 7.139 6.319 ( 2.397 -5.181 -1.461) 5.893 6.464 ( -2.538 -4.960 2.172) 5.980 6.553 ( 2.985 2.634 -5.107) 6.476 6.634 ( 5.043 0.715 -0.530) 5.121 6.854 ( 6.269 2.540 -5.804) 8.912 6.975 ( 2.937 -3.183 7.912) 9.020 7.081 ( 0.502 -5.263 6.732) 8.559 7.347 ( -1.489 2.581 -3.972) 4.966 7.421 ( 8.768 -5.718 -12.860) 16.582 7.708 ( -0.771 -2.729 2.739) 3.943 7.808 ( -1.175 -5.675 -3.180) 6.611 8.053 ( 8.619 -1.593 0.839) 8.805 8.223 ( -0.908 -2.567 -6.644) 7.180 8.260 ( 10.201 2.826 1.329) 10.668 8.440 ( 7.033 0.006 0.890) 7.089 8.620 ( -4.297 -1.074 0.395) 4.447 8.718 ( 0.089 9.473 -3.142) 9.981 8.750 ( 4.282 -7.055 0.578) 8.273 8.864 ( 6.199 -0.166 1.722) 6.436 9.086 ( 1.000 -1.068 13.084) 13.166 9.425 ( 2.135 5.065 -1.076) 5.601 10.147 ( 1.986 -5.760 6.475) 8.891 10.249 ( -4.334 2.562 -2.704) 5.714 10.271 ( -5.234 4.077 -3.761) 7.626 10.332 ( 1.447 2.593 -4.039) 5.013 10.813 ( -3.439 -0.018 1.952) 3.954 10.940 ( 2.629 1.138 1.630) 3.296 12.201 ( -3.688 -4.143 0.075) 5.547 12.433 ( 3.820 0.199 -0.309) 3.838 12.778 ( -2.583 -1.326 6.295) 6.932 12.823 ( -4.894 2.686 -5.469) 7.815 13.158 ( -0.610 -1.274 2.136) 2.560 13.296 ( -1.150 -4.523 -3.220) 5.670 14.323 ( 0.929 -0.523 3.503) 3.661 14.518 ( 10.660 -0.837 2.029) 10.883 14.699 ( 2.434 -0.324 12.317) 12.559 15.177 ( 1.300 5.281 -14.226) 15.230 15.881 ( -4.321 -4.032 6.192) 8.560 15.998 ( -5.529 0.859 -2.119) 5.983 16.071 ( -5.619 -3.544 -0.630) 6.673 16.291 ( 0.292 -5.171 2.724) 5.852 16.689 ( -3.535 1.228 2.529) 4.517 16.811 ( -4.845 5.486 -5.823) 9.353 17.047 ( -4.811 5.075 -6.624) 9.632 17.260 ( 2.986 4.296 -3.881) 6.514 17.497 ( -1.514 -0.311 2.000) 2.527 17.624 ( -9.114 -0.615 4.356) 10.120 17.935 ( -2.424 -3.580 -2.659) 5.075 18.053 ( -5.714 -0.459 1.782) 6.003 18.244 ( 0.705 -3.835 -1.541) 4.193 18.367 ( 9.569 2.338 -1.952) 10.042 18.893 ( -4.514 11.533 3.218) 12.796 19.142 ( -11.916 5.091 5.079) 13.918 19.666 ( 11.629 0.770 -3.273) 12.105 19.846 ( 5.341 -8.778 1.999) 10.468 19.921 ( 3.924 -10.209 -3.746) 11.561 20.163 ( 10.061 5.844 -1.485) 11.729 22.011 ( -26.527 -6.328 0.246) 27.273 22.073 ( -23.310 0.115 -0.368) 23.314 22.676 ( -12.185 -4.216 -6.301) 14.351 23.099 ( 13.703 -7.488 8.750) 17.900 24.109 ( 8.285 -0.542 -3.162) 8.884 24.178 ( 9.414 5.382 -2.860) 11.215 25.297 ( 5.056 4.431 2.010) 7.017 25.422 ( 7.657 -5.083 -0.369) 9.198 26.240 ( 6.923 2.817 8.385) 11.232 26.319 ( -1.738 2.880 -6.393) 7.223 ======================= Grid point 127 (60/95) ======================= q-point: (-0.11 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.540 1.000 -8.744) 8.817 1.057 ( 2.526 -1.904 -4.722) 5.683 1.396 ( 7.341 -8.214 -13.773) 17.636 1.629 ( 2.217 6.367 -18.214) 19.421 1.678 ( -3.039 -7.010 -3.209) 8.287 1.850 ( 0.715 3.905 1.125) 4.126 1.900 ( 3.163 5.257 0.453) 6.151 1.991 ( -9.036 0.889 -17.838) 20.016 2.041 ( 3.663 3.075 -10.690) 11.711 2.318 ( 4.292 0.036 -3.498) 5.537 2.517 ( 24.202 -4.414 -0.529) 24.607 2.550 ( 21.027 -0.708 4.190) 21.452 2.670 ( -0.023 -3.730 7.269) 8.170 2.773 ( -1.855 -0.369 1.504) 2.417 2.937 ( -3.987 -3.415 6.028) 7.993 2.971 ( 2.284 -1.018 -0.069) 2.501 3.056 ( 1.025 -1.304 6.037) 6.261 3.105 ( -0.467 0.006 -0.270) 0.540 3.358 ( 5.759 -9.426 5.419) 12.303 3.426 ( -1.653 0.264 11.960) 12.077 3.621 ( -3.573 0.746 13.992) 14.460 3.856 ( -6.701 11.200 13.181) 18.549 4.125 ( -3.894 0.902 -6.744) 7.840 4.391 ( -5.064 0.209 -7.042) 8.676 4.733 ( -2.185 8.624 0.137) 8.898 4.982 ( -7.511 4.439 0.050) 8.725 5.160 ( 5.109 6.632 -6.004) 10.302 5.321 ( -8.540 3.099 -10.872) 14.169 5.444 ( -13.905 -1.062 4.379) 14.616 5.627 ( -0.840 4.862 0.123) 4.935 5.655 ( -3.735 5.286 -0.887) 6.533 5.770 ( 0.190 0.267 -1.033) 1.084 5.832 ( 0.026 -2.277 1.885) 2.956 5.917 ( -0.411 5.511 -1.733) 5.792 6.166 ( -7.804 -2.928 4.755) 9.597 6.384 ( -1.938 -3.203 -1.955) 4.224 6.436 ( -2.093 2.338 0.703) 3.216 6.553 ( -3.638 -2.102 -2.452) 4.865 6.692 ( 4.925 -0.814 -0.903) 5.073 6.879 ( 7.116 -0.390 -4.146) 8.245 7.042 ( -3.716 1.946 13.126) 13.780 7.254 ( 13.572 -4.013 0.424) 14.159 7.305 ( -2.152 -1.993 -2.199) 3.666 7.599 ( -5.346 -1.938 -6.934) 8.967 7.637 ( 3.732 -3.062 -8.777) 10.017 8.016 ( 6.391 -11.161 -0.146) 12.862 8.122 ( 3.936 3.790 -1.864) 5.774 8.231 ( 7.342 -0.464 0.426) 7.369 8.396 ( 1.793 -7.562 2.726) 8.236 8.460 ( -6.085 1.110 1.077) 6.278 8.550 ( 0.256 5.070 -1.117) 5.198 8.595 ( -2.791 -0.703 -0.304) 2.894 8.887 ( 1.057 -4.220 -0.102) 4.351 8.952 ( 3.813 -2.570 0.952) 4.695 9.147 ( 1.505 -0.009 8.491) 8.624 9.368 ( 1.435 3.062 1.899) 3.878 10.087 ( -5.963 4.174 -8.496) 11.187 10.186 ( -0.787 2.851 3.056) 4.253 10.302 ( 2.454 -6.972 0.642) 7.419 10.337 ( 1.749 -0.137 -0.217) 1.768 10.776 ( -2.199 1.562 2.120) 3.430 10.924 ( 1.388 2.640 -0.302) 2.997 12.236 ( -1.409 -2.625 -0.035) 2.979 12.467 ( 2.852 0.040 3.379) 4.421 12.672 ( -4.377 4.996 -7.021) 9.665 12.819 ( -0.540 -1.790 6.894) 7.143 13.168 ( -1.370 -0.819 -0.041) 1.597 13.331 ( -1.120 -1.007 -2.386) 2.822 14.298 ( -1.620 1.619 -1.070) 2.528 14.651 ( 4.989 -4.380 -1.998) 6.933 14.762 ( -0.207 0.136 2.340) 2.353 15.193 ( 10.113 -3.204 1.736) 10.750 15.848 ( -2.727 1.806 2.167) 3.923 15.920 ( -3.258 2.290 -1.530) 4.266 16.136 ( -5.329 -6.483 7.458) 11.227 16.276 ( -11.125 3.967 6.384) 13.426 16.607 ( -0.324 2.730 -1.823) 3.298 16.684 ( 0.129 4.506 -0.820) 4.582 16.938 ( -1.441 -0.128 -9.141) 9.255 17.202 ( 4.306 4.920 -3.139) 7.253 17.484 ( -0.751 0.834 1.898) 2.205 17.594 ( -3.035 -0.001 5.769) 6.519 17.939 ( 0.018 0.839 -1.109) 1.391 17.994 ( -4.362 1.401 2.811) 5.375 18.327 ( 2.012 -0.045 -2.547) 3.246 18.406 ( 2.210 -4.412 -4.709) 6.820 18.694 ( -1.788 6.312 3.184) 7.292 18.959 ( -8.135 3.965 3.678) 9.768 19.742 ( 10.536 1.695 -4.089) 11.428 19.982 ( 2.325 0.532 -2.092) 3.173 20.152 ( 8.119 -10.105 2.862) 13.275 20.342 ( 12.467 -8.838 -2.352) 15.461 21.678 ( -18.411 13.976 -0.798) 23.128 21.741 ( -20.777 8.000 0.014) 22.264 22.636 ( -5.224 -1.366 -4.806) 7.229 23.325 ( 10.129 -0.430 5.628) 11.596 24.134 ( -3.942 -5.053 -15.062) 16.368 24.343 ( 9.862 -6.940 10.634) 16.078 25.264 ( -0.056 0.986 2.915) 3.078 25.595 ( 5.984 -4.291 2.307) 7.716 26.244 ( -2.696 0.167 -6.447) 6.990 26.302 ( 4.517 0.168 4.530) 6.400 ======================= Grid point 133 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -1.082 -0.000 0.884) 1.398 1.347 ( -0.884 -0.000 -1.338) 1.604 1.630 ( 5.023 0.000 28.805) 29.240 1.773 ( -3.228 -0.000 23.265) 23.488 1.828 ( 0.448 0.000 26.894) 26.898 1.953 ( 10.529 0.000 2.345) 10.787 2.099 ( 4.033 0.000 8.277) 9.207 2.140 ( -3.735 -0.000 0.259) 3.744 2.180 ( 3.261 0.000 -0.179) 3.266 2.419 ( -7.851 -0.000 -15.043) 16.968 2.615 ( -8.368 -0.000 -2.107) 8.629 2.705 ( -3.106 -0.000 -2.193) 3.802 2.777 ( -10.554 -0.000 -0.221) 10.556 2.867 ( 3.194 0.000 -6.590) 7.324 2.994 ( 1.220 0.000 -0.429) 1.293 3.060 ( -3.434 -0.000 -11.645) 12.141 3.116 ( -1.740 -0.000 -15.071) 15.171 3.202 ( 7.293 0.000 -8.482) 11.186 3.461 ( 7.236 0.000 -0.922) 7.294 3.483 ( 1.291 0.000 -1.977) 2.361 4.168 ( 4.129 0.000 7.395) 8.470 4.367 ( -0.453 -0.000 -7.322) 7.336 4.465 ( -16.122 -0.000 10.798) 19.404 4.500 ( -2.049 -0.000 9.822) 10.033 4.952 ( -11.371 -0.000 0.592) 11.386 5.051 ( -5.825 -0.000 -1.507) 6.017 5.153 ( -4.830 -0.000 4.839) 6.838 5.193 ( -4.669 -0.000 6.150) 7.722 5.218 ( -10.860 -0.000 -1.396) 10.949 5.295 ( 5.726 0.000 -0.942) 5.803 5.519 ( -4.188 -0.000 -3.234) 5.291 5.595 ( 8.365 0.000 16.127) 18.167 5.609 ( 2.161 0.000 2.577) 3.363 5.963 ( 12.223 0.000 -2.020) 12.388 6.274 ( -3.175 -0.000 0.937) 3.311 6.297 ( -1.289 -0.000 4.263) 4.454 6.369 ( 2.878 0.000 -10.482) 10.870 6.575 ( -10.825 -0.000 -0.723) 10.849 6.582 ( 2.428 0.000 -4.325) 4.960 6.730 ( 5.990 0.000 -3.872) 7.133 6.770 ( 0.267 0.000 6.716) 6.722 7.094 ( 3.605 0.000 -8.937) 9.637 7.442 ( 1.549 0.000 5.224) 5.449 7.548 ( 12.687 0.000 5.995) 14.032 7.564 ( -5.615 -0.000 -4.631) 7.278 7.753 ( -12.666 -0.000 -7.325) 14.632 8.069 ( 3.124 0.000 1.345) 3.401 8.107 ( 1.792 0.000 -0.220) 1.806 8.308 ( 3.579 0.000 0.662) 3.640 8.324 ( 7.194 0.000 -0.225) 7.198 8.433 ( 12.780 0.000 1.648) 12.886 8.460 ( 8.597 0.000 -9.126) 12.538 8.971 ( 0.385 0.000 2.329) 2.361 9.035 ( -1.558 -0.000 13.853) 13.940 9.123 ( 2.694 0.000 4.507) 5.251 9.597 ( -0.142 -0.000 -9.096) 9.097 9.995 ( 0.693 0.000 10.013) 10.037 10.204 ( -1.067 -0.000 -1.953) 2.225 10.413 ( -8.035 -0.000 0.570) 8.055 10.673 ( -6.624 -0.000 -6.870) 9.543 10.764 ( -1.979 -0.000 4.830) 5.219 10.991 ( 7.813 0.000 -1.323) 7.924 12.044 ( -3.078 -0.000 -0.461) 3.112 12.280 ( 2.802 0.000 -7.385) 7.899 12.770 ( -3.751 -0.000 7.746) 8.606 12.920 ( -2.594 -0.000 -1.875) 3.201 13.076 ( 2.381 0.000 2.068) 3.153 13.129 ( -3.419 -0.000 -5.930) 6.845 14.238 ( 8.955 0.000 14.556) 17.090 14.323 ( 1.955 0.000 8.905) 9.117 14.922 ( -1.381 -0.000 17.793) 17.847 15.422 ( -7.043 -0.000 -3.759) 7.984 15.765 ( -0.978 -0.000 -5.029) 5.123 15.924 ( 5.125 0.000 -24.857) 25.380 16.010 ( 0.488 0.000 -1.029) 1.139 16.120 ( -2.924 -0.000 -8.585) 9.069 16.600 ( -6.751 -0.000 3.500) 7.604 16.855 ( -1.562 -0.000 -6.085) 6.282 17.310 ( -3.047 -0.000 2.881) 4.193 17.420 ( 0.298 0.000 -1.748) 1.774 17.498 ( -8.373 -0.000 -5.887) 10.235 17.706 ( 1.827 0.000 -7.818) 8.028 17.796 ( -16.470 -0.000 0.650) 16.483 18.132 ( 7.209 0.000 0.438) 7.223 18.163 ( 0.725 0.000 4.935) 4.988 18.279 ( 5.825 0.000 -1.506) 6.016 19.078 ( -3.016 -0.000 7.947) 8.500 19.367 ( 0.274 0.000 -5.609) 5.616 19.466 ( -1.493 -0.000 4.089) 4.353 19.614 ( 1.081 0.000 -1.973) 2.250 20.176 ( 1.439 0.000 12.045) 12.131 20.677 ( -0.246 -0.000 -11.682) 11.684 21.488 ( -14.569 -0.000 -0.058) 14.569 21.561 ( -11.695 -0.000 -1.684) 11.815 22.531 ( 15.096 0.000 23.833) 28.211 22.901 ( -23.093 -0.000 -21.442) 31.513 24.318 ( 21.094 0.000 14.617) 25.664 24.427 ( -5.034 -0.000 -10.979) 12.078 25.100 ( 9.774 0.000 4.144) 10.617 25.347 ( 2.222 0.000 -12.869) 13.060 26.380 ( 6.640 0.000 10.745) 12.631 26.536 ( -0.971 -0.000 -2.957) 3.113 ======================= Grid point 134 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.690 -0.355 1.517) 3.108 1.368 ( -2.048 -4.340 -1.082) 4.919 1.495 ( -9.862 12.463 23.086) 28.027 1.799 ( -9.760 13.248 6.749) 17.785 1.926 ( 4.081 -1.377 13.603) 14.268 2.047 ( 3.911 2.206 10.287) 11.224 2.082 ( -5.099 -3.574 12.064) 13.576 2.141 ( 1.070 1.728 -4.132) 4.605 2.243 ( 5.611 1.193 4.807) 7.484 2.249 ( -6.231 4.465 -7.906) 11.013 2.426 ( -4.047 10.921 1.205) 11.708 2.494 ( 5.318 10.353 -0.384) 11.645 2.671 ( 3.140 5.950 -9.146) 11.354 2.812 ( 1.093 3.187 -12.392) 12.842 2.966 ( 0.740 3.385 -10.033) 10.614 2.984 ( -1.408 1.407 0.276) 2.010 3.042 ( -0.177 -0.465 -2.240) 2.295 3.249 ( -0.198 -1.050 -12.516) 12.561 3.445 ( 6.562 7.676 -1.527) 10.213 3.519 ( 12.807 5.384 3.342) 14.289 4.090 ( -9.202 5.848 9.836) 14.684 4.258 ( -2.005 4.886 -5.531) 7.647 4.387 ( -4.954 2.743 8.537) 10.244 4.576 ( -10.215 -10.284 1.651) 14.589 4.773 ( -15.828 7.821 -3.844) 18.069 4.955 ( -22.796 -11.285 2.010) 25.516 5.107 ( -9.773 -4.090 2.194) 10.819 5.187 ( -7.819 -6.925 9.066) 13.831 5.287 ( -3.948 -6.016 2.694) 7.684 5.339 ( 3.023 -1.886 -1.322) 3.801 5.568 ( -0.916 -2.554 -3.315) 4.283 5.716 ( 2.967 -6.627 2.760) 7.768 5.757 ( 7.113 -7.233 10.320) 14.472 6.130 ( 9.429 -2.395 3.074) 10.203 6.226 ( -5.067 1.324 1.575) 5.469 6.250 ( -1.868 2.479 -0.873) 3.225 6.364 ( -3.081 -1.407 -12.388) 12.843 6.490 ( 0.076 -3.643 -0.840) 3.739 6.665 ( 1.898 -3.740 -0.208) 4.199 6.789 ( 8.438 0.669 0.621) 8.487 6.828 ( 2.289 -2.796 5.313) 6.425 7.095 ( -1.828 0.853 -9.761) 9.968 7.408 ( -3.059 0.534 3.764) 4.880 7.496 ( 4.693 5.259 -9.617) 11.924 7.612 ( -10.322 -1.795 -2.074) 10.680 7.743 ( 10.481 -1.205 5.406) 11.855 8.048 ( 7.308 2.429 -3.791) 8.583 8.137 ( 7.287 1.869 -0.660) 7.552 8.345 ( 5.611 -1.279 0.434) 5.772 8.505 ( 4.749 -7.260 -1.313) 8.774 8.534 ( 14.611 3.500 -4.371) 15.647 8.589 ( 14.332 0.363 2.029) 14.480 8.948 ( 2.373 3.868 2.412) 5.139 9.060 ( 2.755 2.995 6.799) 7.924 9.115 ( 1.229 4.700 9.787) 10.926 9.555 ( 0.420 1.534 -7.286) 7.457 10.023 ( -0.016 -0.334 10.315) 10.320 10.219 ( -1.534 -2.918 -3.964) 5.156 10.328 ( -9.241 -0.383 2.099) 9.484 10.534 ( -7.307 4.578 -6.234) 10.640 10.765 ( -2.872 -1.238 2.199) 3.824 11.026 ( 7.068 3.797 0.229) 8.027 12.043 ( -3.482 -3.545 -1.508) 5.193 12.333 ( 2.702 -4.630 -5.067) 7.377 12.745 ( -5.185 -0.201 7.769) 9.342 12.874 ( -4.135 0.975 -2.950) 5.173 13.090 ( -0.235 -1.729 0.728) 1.891 13.135 ( -1.060 -2.999 -2.586) 4.100 14.352 ( 6.460 1.893 8.679) 10.984 14.444 ( 12.252 -3.300 11.699) 17.259 14.859 ( -2.181 7.971 12.987) 15.393 15.486 ( -7.156 -12.005 1.155) 14.024 15.561 ( 0.115 11.919 -12.983) 17.625 15.974 ( -3.170 -4.876 -14.294) 15.432 16.002 ( -4.839 -0.178 -1.624) 5.107 16.096 ( -0.043 -4.012 -6.071) 7.276 16.580 ( -6.495 -4.679 3.859) 8.886 16.835 ( -4.437 -2.520 -7.117) 8.757 17.241 ( -5.097 3.855 0.923) 6.457 17.379 ( -1.552 2.578 -2.834) 4.133 17.426 ( -7.891 -1.692 0.280) 8.075 17.537 ( -22.469 -3.411 -0.491) 22.732 17.807 ( 6.560 -0.192 -5.693) 8.687 18.056 ( -7.813 0.386 -2.267) 8.144 18.283 ( 8.384 1.965 4.865) 9.890 18.369 ( 9.171 -1.973 -0.264) 9.385 19.092 ( -4.205 -2.869 8.082) 9.551 19.298 ( -5.957 4.656 -2.706) 8.030 19.474 ( 3.253 -2.255 2.336) 4.596 19.645 ( -0.282 -3.250 -4.047) 5.198 20.064 ( 1.742 14.269 6.823) 15.912 20.556 ( 4.015 10.549 -6.225) 12.890 21.446 ( -24.359 -17.703 0.660) 30.119 21.577 ( -20.246 -16.989 -1.001) 26.449 22.596 ( -22.826 0.149 -18.894) 29.631 22.820 ( 15.339 -5.742 24.771) 29.696 24.294 ( -1.250 5.188 -16.542) 17.381 24.502 ( 19.205 7.302 9.824) 22.775 25.272 ( 15.554 -2.106 6.268) 16.901 25.394 ( 8.869 -0.994 -8.215) 12.130 26.427 ( 6.599 5.376 7.757) 11.516 26.484 ( 0.171 3.733 -3.732) 5.281 ======================= Grid point 135 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -9.618 5.739 6.004) 12.708 1.312 ( -5.878 1.962 4.071) 7.414 1.424 ( -2.539 -2.716 0.548) 3.758 1.490 ( -7.237 -0.261 -4.086) 8.315 1.830 ( -4.020 6.655 -0.459) 7.789 1.978 ( -11.773 0.960 -19.466) 22.769 2.035 ( 3.040 7.301 -0.662) 7.936 2.102 ( -2.268 2.709 1.360) 3.785 2.247 ( 11.683 7.550 -0.021) 13.910 2.321 ( 8.057 3.505 6.039) 10.661 2.328 ( 7.318 -2.804 14.138) 16.165 2.478 ( 13.827 8.251 -5.787) 17.110 2.593 ( 3.836 2.099 2.925) 5.261 2.758 ( -1.190 0.235 -3.514) 3.718 2.909 ( -0.011 0.658 -2.369) 2.458 2.964 ( -0.783 1.205 1.120) 1.822 3.058 ( 1.071 -0.441 0.980) 1.517 3.177 ( -2.594 2.444 -7.205) 8.039 3.381 ( 11.215 7.268 -0.537) 13.375 3.561 ( 13.116 6.351 3.966) 15.103 3.884 ( -10.226 8.126 12.606) 18.152 4.147 ( -3.046 2.519 -6.901) 7.953 4.304 ( 0.953 8.761 10.162) 13.451 4.414 ( -15.683 4.008 -7.225) 17.726 4.664 ( -17.520 -10.211 0.188) 20.280 4.969 ( -24.917 -15.451 -0.506) 29.323 5.069 ( -10.715 -3.563 -0.866) 11.325 5.183 ( -9.397 -2.142 4.192) 10.510 5.350 ( -2.989 -4.399 -1.103) 5.432 5.447 ( 1.305 -6.721 0.610) 6.874 5.590 ( -2.146 -3.046 -1.956) 4.208 5.821 ( 3.937 -0.622 5.351) 6.672 5.936 ( -6.105 -2.271 3.228) 7.270 6.107 ( -11.525 0.992 1.550) 11.671 6.144 ( 2.574 2.746 -0.450) 3.791 6.274 ( 4.098 -2.380 1.341) 4.925 6.381 ( -0.090 -2.399 -4.329) 4.950 6.554 ( -1.876 -0.711 -5.541) 5.893 6.719 ( 3.688 0.331 -1.560) 4.018 6.907 ( 7.798 -2.777 6.143) 10.308 6.959 ( -1.353 -6.442 4.094) 7.751 6.982 ( -2.606 -1.242 -2.699) 3.952 7.399 ( 0.801 0.811 0.381) 1.202 7.436 ( 7.429 2.922 -14.488) 16.542 7.607 ( -3.496 -4.129 -2.209) 5.844 7.820 ( 9.589 2.020 4.945) 10.977 8.160 ( 7.481 3.432 -2.824) 8.702 8.196 ( 15.433 -3.981 -4.539) 16.572 8.440 ( 7.833 0.742 1.777) 8.066 8.559 ( 4.885 4.081 -2.650) 6.895 8.616 ( 4.880 2.471 2.390) 5.969 8.721 ( 8.542 -1.910 0.799) 8.789 8.935 ( 5.297 5.495 1.061) 7.706 8.952 ( 5.397 8.082 -2.959) 10.159 9.134 ( 1.519 0.124 15.500) 15.575 9.513 ( 1.787 2.951 -3.609) 4.993 10.097 ( 1.084 -3.950 8.156) 9.126 10.203 ( -5.797 -0.757 -3.253) 6.690 10.242 ( -8.391 2.058 -0.696) 8.668 10.376 ( -2.557 2.545 -3.670) 5.146 10.752 ( -4.332 -1.096 -0.189) 4.473 11.020 ( 3.898 3.771 1.588) 5.652 12.083 ( -2.963 -5.057 -0.963) 5.939 12.441 ( 3.777 -3.574 -2.095) 5.606 12.730 ( -4.646 -1.630 7.329) 8.829 12.791 ( -4.592 1.326 -4.365) 6.473 13.141 ( -0.004 -0.680 1.565) 1.706 13.172 ( -2.109 -5.887 -2.388) 6.694 14.395 ( 5.296 2.597 5.100) 7.797 14.665 ( 12.967 1.586 2.346) 13.273 14.780 ( 3.742 1.254 15.544) 16.037 15.264 ( -1.982 9.529 -16.455) 19.118 15.709 ( -4.124 -12.230 9.863) 16.244 15.901 ( -11.400 -1.317 -3.748) 12.073 15.946 ( -5.958 -1.827 -6.494) 9.001 16.203 ( 0.947 -5.966 0.107) 6.041 16.617 ( -6.519 -4.450 1.207) 7.985 16.789 ( -4.970 -0.043 -6.616) 8.275 17.091 ( -4.634 6.532 -0.977) 8.068 17.301 ( -9.349 -1.982 -1.188) 9.631 17.360 ( -15.107 -6.502 0.879) 16.471 17.464 ( -2.703 -1.078 -0.226) 2.919 17.854 ( 2.320 -1.350 -3.385) 4.320 17.972 ( -7.264 -0.616 -0.770) 7.331 18.302 ( 4.396 3.360 1.242) 5.671 18.485 ( 8.306 0.485 2.495) 8.686 19.043 ( -4.667 9.423 -1.540) 10.628 19.114 ( -11.071 3.320 10.031) 15.304 19.636 ( 6.392 -9.839 -0.735) 11.756 19.744 ( 1.276 -10.000 -3.091) 10.544 19.927 ( 7.813 5.181 -3.393) 9.970 20.392 ( 5.042 9.839 -0.356) 11.061 21.489 ( -29.115 -15.180 -0.967) 32.849 21.651 ( -26.596 -14.599 1.957) 30.403 22.372 ( -17.619 -6.929 -12.816) 22.862 23.174 ( 14.573 -7.703 22.421) 27.828 24.136 ( 1.977 5.616 -23.511) 24.253 24.555 ( 19.018 11.235 8.969) 23.840 25.452 ( 9.742 3.040 -3.947) 10.942 25.501 ( 15.147 -0.664 8.001) 17.143 26.358 ( -0.566 5.306 -5.386) 7.582 26.432 ( 7.215 6.422 4.782) 10.778 ======================= Grid point 136 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.040 1.088 -11.051) 11.513 1.354 ( 14.104 2.636 -5.259) 15.281 1.388 ( 2.057 4.727 -5.441) 7.495 1.499 ( -5.510 -5.806 -1.679) 8.179 1.741 ( 5.610 8.012 -4.648) 10.829 1.747 ( -15.348 -3.021 -24.728) 29.260 1.914 ( -0.798 6.024 -4.370) 7.485 2.020 ( 2.047 4.734 -0.604) 5.193 2.160 ( 2.893 7.756 -8.112) 11.590 2.348 ( 2.734 0.733 -3.291) 4.341 2.497 ( 6.911 -5.785 1.063) 9.075 2.552 ( 2.737 -6.288 1.495) 7.019 2.653 ( -4.070 -4.864 17.623) 18.730 2.762 ( 1.823 -0.348 0.431) 1.905 2.891 ( -3.332 1.953 -1.852) 4.283 2.961 ( 2.512 -3.520 6.992) 8.221 3.082 ( 1.668 -0.110 2.233) 2.789 3.129 ( 2.170 1.205 0.490) 2.530 3.446 ( 13.526 1.593 2.321) 13.816 3.535 ( -5.084 5.127 17.788) 19.198 3.756 ( 11.856 9.728 4.971) 16.122 4.030 ( -9.231 4.939 2.381) 10.736 4.121 ( 2.664 8.020 -0.819) 8.491 4.313 ( -1.899 -0.470 -6.771) 7.047 4.606 ( -21.046 -6.610 -0.469) 22.065 4.952 ( -16.590 -7.525 -1.298) 18.263 5.021 ( -7.607 -3.112 -3.116) 8.789 5.179 ( -6.022 -5.737 2.181) 8.598 5.356 ( -5.263 -1.645 -5.880) 8.061 5.534 ( -8.541 -4.395 -1.177) 9.677 5.648 ( 3.513 -5.702 -0.418) 6.710 5.759 ( -7.029 5.043 -1.578) 8.794 5.884 ( 2.395 1.978 -4.082) 5.129 6.007 ( -10.352 -2.065 8.135) 13.327 6.094 ( 0.700 8.014 0.072) 8.045 6.306 ( -8.918 -1.182 1.752) 9.165 6.363 ( 4.431 -0.756 -2.395) 5.093 6.539 ( -0.422 -1.208 -3.695) 3.910 6.731 ( 1.318 0.732 -3.517) 3.827 6.933 ( 0.472 -0.458 -0.587) 0.882 7.041 ( -3.139 -4.082 13.046) 14.026 7.210 ( 8.662 -7.646 4.148) 12.276 7.400 ( 7.405 2.459 -1.626) 7.970 7.462 ( 3.070 -2.778 -15.250) 15.802 7.625 ( 1.793 -1.327 -4.948) 5.428 7.973 ( 11.215 -4.663 2.605) 12.421 8.163 ( 3.306 1.375 -3.304) 4.872 8.385 ( 8.085 5.785 1.657) 10.079 8.387 ( 2.081 2.605 -2.588) 4.220 8.497 ( 1.897 5.295 3.615) 6.686 8.606 ( 3.789 2.808 -0.776) 4.779 8.753 ( 4.893 10.346 -0.493) 11.455 8.863 ( 6.694 -1.201 -1.006) 6.875 8.993 ( 4.718 1.017 2.071) 5.251 9.190 ( 1.536 0.391 9.947) 10.072 9.451 ( 0.440 4.651 -0.726) 4.728 10.061 ( -8.304 3.651 -6.083) 10.922 10.163 ( -5.465 -2.476 2.366) 6.449 10.226 ( 2.533 -4.882 1.898) 5.818 10.369 ( 2.434 0.087 0.088) 2.437 10.722 ( -5.739 -1.832 -0.448) 6.041 10.976 ( -0.384 3.070 0.397) 3.119 12.155 ( -0.564 -4.996 0.333) 5.039 12.490 ( 0.424 0.237 -0.378) 0.615 12.697 ( -2.087 2.197 -3.593) 4.700 12.781 ( -0.808 -3.217 6.947) 7.698 13.129 ( -2.394 -0.635 -2.526) 3.538 13.264 ( -0.262 -4.796 -0.003) 4.803 14.380 ( 3.945 5.381 0.742) 6.713 14.683 ( 4.125 1.406 0.202) 4.362 14.821 ( 1.361 6.981 -2.330) 7.485 15.231 ( 8.725 -5.019 3.688) 10.721 15.802 ( -5.153 -3.736 2.308) 6.770 15.865 ( -5.917 -2.670 -0.775) 6.537 15.970 ( -2.363 -8.285 5.407) 10.172 16.239 ( -8.486 1.309 4.650) 9.765 16.601 ( -1.617 -2.595 -6.800) 7.456 16.728 ( -2.780 1.170 0.444) 3.049 16.924 ( -4.432 5.768 -3.171) 7.936 17.275 ( 0.441 0.476 -3.228) 3.292 17.394 ( -15.274 -15.021 1.821) 21.500 17.467 ( -1.171 -0.842 2.610) 2.982 17.876 ( -1.398 -1.591 -1.077) 2.376 17.938 ( -5.957 -3.293 0.270) 6.812 18.282 ( 3.079 3.054 1.123) 4.479 18.540 ( 7.169 2.658 0.081) 7.646 18.792 ( -5.934 8.575 -0.976) 10.473 18.962 ( -7.999 4.841 6.438) 11.352 19.829 ( 3.328 -1.640 -3.936) 5.409 19.923 ( 0.438 -6.689 -0.666) 6.737 20.075 ( 13.744 -10.389 -3.344) 17.550 20.390 ( 11.217 -0.889 1.253) 11.322 21.384 ( -30.814 -9.947 -0.448) 32.383 21.502 ( -28.114 -4.632 -1.401) 28.527 22.420 ( -8.234 -12.907 -4.989) 16.102 23.486 ( 14.501 -1.836 18.674) 23.714 24.013 ( 0.113 1.064 -25.211) 25.234 24.567 ( 16.258 10.402 8.922) 21.263 25.413 ( 6.051 9.159 0.800) 11.006 25.663 ( 10.354 0.802 6.600) 12.305 26.237 ( -1.873 4.070 -8.083) 9.242 26.418 ( 6.478 4.616 3.640) 8.747 ======================= Grid point 143 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -2.948 -0.000 0.494) 2.989 1.289 ( -3.824 -0.000 -0.888) 3.926 1.707 ( -11.497 -0.000 29.824) 31.963 1.709 ( -18.746 -0.000 22.652) 29.403 1.873 ( -14.352 -0.000 6.600) 15.796 2.013 ( -16.674 -0.000 -16.456) 23.427 2.102 ( 2.847 0.000 3.918) 4.843 2.175 ( -0.071 -0.000 -2.826) 2.827 2.280 ( -5.335 -0.000 -2.040) 5.712 2.292 ( 11.988 0.000 6.605) 13.687 2.505 ( 2.555 0.000 1.862) 3.161 2.542 ( -5.403 -0.000 1.497) 5.606 2.732 ( 4.397 0.000 -1.586) 4.675 2.807 ( -0.538 -0.000 -15.423) 15.432 2.990 ( -1.362 -0.000 -15.246) 15.306 2.996 ( 0.372 0.000 2.521) 2.549 3.027 ( 1.684 0.000 0.967) 1.942 3.210 ( 2.195 0.000 -9.341) 9.596 3.567 ( 4.604 0.000 -0.277) 4.612 3.681 ( 7.748 0.000 3.999) 8.719 3.990 ( -18.345 -0.000 12.139) 21.997 4.271 ( -7.225 -0.000 -5.914) 9.337 4.353 ( -6.681 -0.000 0.457) 6.697 4.425 ( 0.110 0.000 -4.200) 4.202 4.640 ( -21.680 -0.000 -8.434) 23.263 4.752 ( -3.522 -0.000 4.714) 5.884 4.916 ( -16.919 -0.000 5.245) 17.713 5.140 ( -3.890 -0.000 13.130) 13.694 5.162 ( -0.295 -0.000 -0.270) 0.400 5.321 ( -1.108 -0.000 -1.461) 1.833 5.568 ( -4.441 -0.000 -0.565) 4.477 5.601 ( 4.882 0.000 1.593) 5.136 5.880 ( 9.094 0.000 17.435) 19.664 6.199 ( 4.241 0.000 -5.890) 7.258 6.200 ( -14.412 -0.000 -1.117) 14.455 6.257 ( 6.047 0.000 5.165) 7.953 6.268 ( -0.153 -0.000 -7.516) 7.518 6.434 ( -1.079 -0.000 -0.005) 1.079 6.615 ( 0.598 0.000 -1.018) 1.180 6.872 ( 9.267 0.000 -9.821) 13.503 6.888 ( 4.748 0.000 5.142) 6.999 7.041 ( -7.750 -0.000 -6.028) 9.818 7.354 ( -4.394 -0.000 3.762) 5.784 7.504 ( -0.307 -0.000 -3.480) 3.493 7.605 ( 4.645 0.000 -8.464) 9.655 7.900 ( 16.896 0.000 3.232) 17.202 8.171 ( 7.953 0.000 -0.083) 7.953 8.176 ( 4.777 0.000 -0.666) 4.823 8.456 ( 7.881 0.000 -3.270) 8.533 8.457 ( 9.025 0.000 2.245) 9.300 8.724 ( 16.639 0.000 -2.718) 16.860 8.774 ( 14.517 0.000 1.715) 14.618 9.027 ( 4.099 0.000 2.906) 5.025 9.125 ( 1.196 0.000 16.080) 16.124 9.233 ( 6.315 0.000 -0.514) 6.336 9.541 ( 0.102 0.000 -7.781) 7.782 10.060 ( -0.349 -0.000 8.391) 8.398 10.151 ( -1.631 -0.000 -4.290) 4.590 10.223 ( -11.709 -0.000 9.694) 15.201 10.459 ( -10.831 -0.000 -5.005) 11.931 10.736 ( -2.190 -0.000 1.545) 2.680 11.149 ( 8.572 0.000 -3.133) 9.127 11.969 ( -3.329 -0.000 -2.673) 4.269 12.281 ( 0.989 0.000 -4.271) 4.384 12.706 ( -5.938 -0.000 7.849) 9.843 12.842 ( -3.958 -0.000 -1.571) 4.258 13.041 ( -1.683 -0.000 -4.367) 4.680 13.123 ( 1.072 0.000 2.623) 2.834 14.461 ( 6.480 0.000 5.093) 8.242 14.596 ( 16.754 0.000 12.079) 20.654 15.004 ( -1.508 -0.000 18.484) 18.545 15.237 ( -10.122 -0.000 3.522) 10.717 15.654 ( -7.812 -0.000 -3.851) 8.709 15.812 ( -2.901 -0.000 -26.021) 26.182 15.975 ( -1.543 -0.000 -4.049) 4.333 15.995 ( -3.440 -0.000 -7.252) 8.027 16.446 ( -9.469 -0.000 1.892) 9.656 16.725 ( -9.038 -0.000 -2.644) 9.417 17.173 ( -26.704 -0.000 -1.999) 26.779 17.236 ( -4.269 -0.000 2.970) 5.200 17.363 ( -3.175 -0.000 -0.255) 3.185 17.451 ( 1.173 0.000 -1.653) 2.027 17.846 ( 2.938 0.000 -2.290) 3.725 17.962 ( -8.439 -0.000 -2.906) 8.925 18.399 ( 8.090 0.000 -6.779) 10.555 18.450 ( 9.969 0.000 7.640) 12.560 19.033 ( -5.449 -0.000 9.727) 11.149 19.269 ( -5.657 -0.000 -6.635) 8.719 19.473 ( -1.090 -0.000 1.966) 2.248 19.586 ( -3.433 -0.000 -1.651) 3.810 20.332 ( 4.725 0.000 10.735) 11.729 20.614 ( -1.372 -0.000 -6.754) 6.892 21.013 ( -26.039 -0.000 -1.626) 26.089 21.150 ( -22.014 -0.000 -1.507) 22.065 22.308 ( -22.104 -0.000 -18.791) 29.012 22.994 ( 12.457 0.000 26.697) 29.460 24.273 ( 1.170 0.000 -19.602) 19.636 24.800 ( 17.895 0.000 9.251) 20.145 25.464 ( 19.665 0.000 7.174) 20.933 25.481 ( 13.329 0.000 -5.393) 14.378 26.500 ( -0.268 -0.000 -5.054) 5.062 26.579 ( 7.455 0.000 5.343) 9.172 ======================= Grid point 144 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -11.486 8.072 4.958) 14.888 1.296 ( -5.119 -4.033 1.778) 6.755 1.332 ( -16.646 8.911 16.253) 24.913 1.447 ( -17.290 9.455 -0.160) 19.707 1.666 ( -17.797 1.573 -18.255) 25.543 1.897 ( -13.004 5.438 2.436) 14.304 2.082 ( -4.200 -6.528 13.620) 15.677 2.147 ( 0.090 1.535 -0.535) 1.628 2.213 ( -3.043 -1.464 3.153) 4.620 2.404 ( -2.745 1.092 5.924) 6.620 2.468 ( 4.114 -4.236 0.899) 5.973 2.652 ( -4.510 -1.202 -8.976) 10.117 2.755 ( 6.596 2.092 -5.544) 8.867 2.788 ( 6.072 0.493 0.379) 6.104 2.906 ( -1.110 1.638 -7.370) 7.631 2.994 ( 1.038 2.114 2.636) 3.535 3.058 ( 1.399 -0.834 1.475) 2.197 3.201 ( 1.621 1.919 -2.786) 3.751 3.555 ( 1.203 4.831 1.697) 5.260 3.744 ( 2.266 2.953 4.742) 6.028 3.869 ( -6.131 -2.204 6.676) 9.328 4.192 ( -8.014 -1.183 -5.835) 9.983 4.306 ( -6.603 2.664 -10.303) 12.524 4.322 ( -2.887 3.271 -0.608) 4.405 4.443 ( -10.377 -2.548 -4.095) 11.443 4.667 ( -1.020 7.234 6.959) 10.089 4.842 ( -11.452 -6.345 0.548) 13.103 5.103 ( -5.420 0.653 5.812) 7.974 5.251 ( -0.677 -5.158 1.170) 5.332 5.347 ( -4.127 -4.714 1.598) 6.466 5.507 ( -4.218 -0.520 -2.910) 5.151 5.699 ( -4.548 -5.531 -0.915) 7.219 5.995 ( -2.356 2.552 -11.288) 11.810 6.014 ( -1.351 1.586 21.487) 21.588 6.234 ( 1.042 1.082 -4.400) 4.649 6.278 ( 2.299 -3.733 3.483) 5.599 6.340 ( 3.080 -0.786 1.752) 3.629 6.472 ( -3.295 -3.260 -2.187) 5.125 6.663 ( -0.385 -5.403 -1.613) 5.652 6.821 ( -11.885 -0.532 -11.646) 16.648 6.931 ( 2.115 0.501 1.017) 2.400 7.026 ( 10.325 -0.443 4.753) 11.375 7.365 ( 1.056 -2.255 1.325) 2.821 7.546 ( 4.305 1.418 -6.674) 8.067 7.570 ( 4.168 1.627 -4.063) 6.044 8.013 ( 9.344 4.104 2.728) 10.564 8.254 ( 13.316 -0.041 -6.815) 14.958 8.315 ( 11.729 -3.945 1.911) 12.521 8.510 ( 8.940 0.844 -0.022) 8.980 8.598 ( 5.350 -0.611 0.507) 5.408 8.829 ( 12.306 4.844 -0.508) 13.235 8.863 ( 8.999 3.709 1.017) 9.786 9.041 ( 5.627 4.188 4.136) 8.143 9.185 ( 6.035 3.805 2.989) 7.736 9.222 ( 4.494 5.126 6.981) 9.757 9.541 ( 2.454 -0.598 -5.727) 6.259 10.064 ( -4.942 -2.062 1.127) 5.472 10.102 ( -5.502 0.066 5.254) 7.607 10.199 ( -4.888 -0.022 7.154) 8.664 10.318 ( -9.718 -0.437 -2.807) 10.125 10.715 ( -1.873 0.795 -0.404) 2.074 11.168 ( 6.740 5.914 -1.640) 9.116 11.958 ( -3.302 -4.178 -2.718) 5.979 12.368 ( 3.063 -7.501 -2.152) 8.383 12.679 ( -4.680 -0.954 6.840) 8.343 12.767 ( -4.115 2.174 -2.415) 5.243 13.054 ( -1.292 -3.628 -2.532) 4.609 13.143 ( 0.712 -0.191 2.071) 2.199 14.522 ( 7.090 2.213 2.648) 7.885 14.831 ( 11.233 1.797 5.041) 12.442 14.902 ( 3.787 2.078 16.615) 17.167 15.328 ( -7.395 -0.145 -3.316) 8.106 15.467 ( -6.516 -4.480 2.967) 8.446 15.698 ( -15.123 -2.490 -10.236) 18.430 15.883 ( -2.133 1.614 -4.925) 5.605 16.090 ( 1.377 -7.784 -4.311) 9.004 16.421 ( -9.361 -6.914 -1.147) 11.694 16.657 ( -11.657 -5.612 0.213) 12.939 16.898 ( -25.942 -1.134 -5.685) 26.582 17.172 ( -2.617 4.137 3.674) 6.120 17.330 ( -1.172 1.385 -0.170) 1.822 17.464 ( 1.866 0.089 -0.721) 2.002 17.854 ( -0.826 -0.027 -0.032) 0.827 17.879 ( -6.976 -0.781 -2.156) 7.343 18.414 ( 6.353 3.879 -4.365) 8.629 18.583 ( 7.825 -0.411 5.593) 9.627 19.058 ( -4.032 -2.745 11.472) 12.466 19.127 ( -8.302 5.908 -4.190) 11.017 19.504 ( -2.883 -6.501 -0.750) 7.151 19.578 ( -3.379 -6.292 -2.577) 7.592 20.114 ( -0.001 12.839 -2.251) 13.035 20.594 ( -0.948 9.740 0.727) 9.813 20.935 ( -19.932 -18.017 -0.535) 26.874 21.122 ( -20.023 -15.327 1.266) 25.248 22.049 ( -18.901 -2.719 -14.775) 24.144 23.231 ( 8.422 -6.624 21.481) 24.006 24.220 ( 8.067 5.109 -18.949) 21.219 24.931 ( 16.100 6.725 6.794) 18.724 25.609 ( 13.121 1.085 -3.109) 13.528 25.690 ( 17.940 0.221 9.419) 20.264 26.433 ( -0.443 5.007 -6.138) 7.934 26.624 ( 7.192 4.487 2.584) 8.862 ======================= Grid point 145 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -5.485 -8.814 9.320) 13.951 1.239 ( -2.253 -7.527 0.898) 7.908 1.294 ( -13.148 -2.001 -16.937) 21.534 1.367 ( -3.377 -5.879 -0.786) 6.825 1.447 ( -12.472 -6.256 -11.228) 17.909 1.790 ( -2.481 -6.496 -2.585) 7.418 2.044 ( 0.246 7.184 -5.473) 9.034 2.109 ( -0.581 3.304 2.267) 4.049 2.318 ( -5.581 -4.417 3.407) 7.891 2.350 ( -0.471 5.120 -3.456) 6.195 2.518 ( -1.341 2.950 2.634) 4.176 2.533 ( -8.829 -2.719 9.696) 13.392 2.672 ( -0.621 10.821 -2.398) 11.101 2.803 ( 0.721 0.990 -2.111) 2.441 2.866 ( -4.088 0.949 -1.106) 4.340 2.995 ( 4.372 0.339 8.115) 9.224 3.090 ( 1.178 -0.684 1.211) 1.823 3.185 ( 2.966 1.723 1.643) 3.803 3.460 ( -8.225 2.028 8.263) 11.834 3.691 ( 4.582 5.651 7.975) 10.795 3.936 ( -7.493 -4.517 -4.452) 9.816 4.081 ( -0.687 0.950 -7.515) 7.606 4.189 ( 10.918 6.551 -1.898) 12.873 4.302 ( -6.304 0.385 -0.888) 6.378 4.442 ( 0.162 -6.912 -5.492) 8.829 4.565 ( -2.810 3.516 5.178) 6.861 4.885 ( -4.125 -7.779 -3.183) 9.363 5.058 ( -6.365 -2.044 2.186) 7.033 5.260 ( -4.526 1.518 -1.893) 5.136 5.371 ( -9.016 -3.743 -0.522) 9.776 5.519 ( -3.914 -7.993 -4.217) 9.849 5.652 ( -13.134 -1.918 -4.649) 14.064 5.853 ( -4.455 2.584 -5.471) 7.514 6.064 ( 3.976 2.971 14.556) 15.379 6.202 ( 0.398 2.745 -5.233) 5.923 6.245 ( -10.261 5.614 -1.226) 11.760 6.409 ( 4.689 -3.460 3.385) 6.739 6.466 ( -2.428 -3.232 -0.241) 4.050 6.718 ( -0.036 -0.829 -6.115) 6.171 6.808 ( -7.558 -8.922 7.491) 13.886 6.959 ( -0.294 -2.322 2.101) 3.145 7.217 ( 11.030 -5.466 5.560) 13.507 7.443 ( 4.768 -2.728 -3.086) 6.300 7.507 ( 6.569 2.856 -10.089) 12.373 7.620 ( 4.243 -0.556 -3.371) 5.447 8.074 ( 11.027 0.446 3.720) 11.646 8.285 ( 5.938 6.204 -6.485) 10.761 8.439 ( -3.440 5.607 0.136) 6.580 8.579 ( 8.544 0.792 0.560) 8.599 8.614 ( 11.728 1.474 1.268) 11.888 8.797 ( 7.919 10.311 0.169) 13.002 8.880 ( 6.440 3.165 1.175) 7.272 9.068 ( 4.251 1.029 4.143) 6.025 9.087 ( 9.990 10.608 -4.990) 15.402 9.259 ( 2.110 2.039 10.606) 11.005 9.537 ( 2.487 3.927 -3.818) 6.015 9.997 ( -10.443 -0.641 -0.346) 10.469 10.039 ( -9.107 -0.100 -0.151) 9.108 10.193 ( 1.871 -2.842 7.085) 7.860 10.330 ( -2.973 -5.555 2.248) 6.689 10.657 ( -2.693 1.972 -3.793) 5.052 11.065 ( -0.219 8.334 -0.395) 8.346 12.049 ( 0.495 -7.104 0.624) 7.149 12.489 ( 1.340 -1.041 -2.049) 2.660 12.673 ( -2.620 -1.082 0.214) 2.843 12.746 ( 1.401 -3.194 3.861) 5.203 13.074 ( -3.431 -1.288 -3.397) 4.996 13.186 ( 1.422 -3.785 1.631) 4.360 14.540 ( 6.853 4.768 1.141) 8.426 14.763 ( -0.440 4.430 8.423) 9.527 15.015 ( -0.137 13.900 -11.921) 18.312 15.202 ( 7.334 -8.517 4.608) 12.147 15.612 ( -8.664 -9.263 0.330) 12.688 15.678 ( -7.544 -11.690 8.190) 16.144 15.880 ( 2.868 -2.838 0.537) 4.070 16.180 ( -4.993 -1.326 3.051) 5.999 16.446 ( -6.200 -6.737 -8.633) 12.584 16.645 ( -8.275 -2.920 -3.601) 9.485 16.780 ( -22.936 -19.720 0.884) 30.260 17.062 ( -2.702 5.784 4.723) 7.941 17.281 ( -0.427 2.400 -3.039) 3.895 17.480 ( 1.849 0.328 0.763) 2.027 17.814 ( -6.407 -1.253 -0.849) 6.584 17.855 ( -2.407 -1.056 0.572) 2.690 18.391 ( 3.732 3.252 -1.548) 5.186 18.640 ( 4.260 2.137 5.245) 7.087 18.876 ( -7.852 9.412 -2.876) 12.590 19.006 ( -5.983 5.265 9.027) 12.042 19.705 ( -0.827 -14.565 -0.276) 14.591 19.720 ( -4.676 -10.446 0.099) 11.446 20.065 ( 10.805 -5.077 -11.423) 16.523 20.483 ( 3.256 1.259 3.768) 5.137 20.916 ( -23.277 -6.746 -1.441) 24.277 21.110 ( -23.761 -5.648 -0.684) 24.433 22.049 ( -7.798 -15.712 -4.054) 18.003 23.526 ( 6.927 -10.975 10.799) 16.883 24.129 ( 11.521 11.064 -14.486) 21.564 24.959 ( 14.765 10.175 5.977) 18.901 25.649 ( 9.162 7.346 -0.646) 11.762 25.854 ( 12.714 3.373 10.469) 16.812 26.293 ( -1.300 6.461 -8.121) 10.459 26.599 ( 6.480 6.418 0.731) 9.150 ======================= Grid point 153 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.686 -0.000 1.646) 7.860 1.184 ( -6.375 -0.000 -1.892) 6.650 1.237 ( -22.633 -0.000 -11.638) 25.450 1.336 ( -27.435 -0.000 10.016) 29.206 1.630 ( -18.408 -0.000 12.721) 22.376 1.778 ( -6.775 -0.000 26.778) 27.622 1.986 ( -15.496 -0.000 -6.191) 16.687 2.122 ( -1.528 -0.000 -2.255) 2.723 2.207 ( -11.776 -0.000 2.830) 12.112 2.227 ( -20.488 -0.000 1.483) 20.542 2.335 ( -12.064 -0.000 0.745) 12.087 2.446 ( -3.859 -0.000 -1.688) 4.212 2.747 ( -0.781 -0.000 -7.969) 8.007 2.847 ( 2.611 0.000 0.012) 2.611 2.873 ( -4.546 -0.000 -10.722) 11.645 3.047 ( 2.164 0.000 2.903) 3.621 3.073 ( 2.128 0.000 1.961) 2.893 3.255 ( 4.692 0.000 0.591) 4.729 3.624 ( -1.941 -0.000 4.947) 5.314 3.741 ( 0.670 0.000 -10.323) 10.345 3.849 ( -2.956 -0.000 13.451) 13.772 4.107 ( -10.302 -0.000 -11.404) 15.369 4.197 ( 5.578 0.000 -2.824) 6.252 4.306 ( -1.198 -0.000 -2.868) 3.108 4.531 ( 10.967 0.000 -2.691) 11.292 4.636 ( -9.822 -0.000 -0.182) 9.823 4.852 ( 7.448 0.000 1.919) 7.692 5.131 ( -4.040 -0.000 6.313) 7.495 5.172 ( 3.025 0.000 -3.328) 4.498 5.244 ( -4.604 -0.000 2.107) 5.063 5.460 ( -6.355 -0.000 2.413) 6.798 5.605 ( -5.281 -0.000 -7.646) 9.293 5.924 ( -7.200 -0.000 -1.684) 7.395 6.151 ( 6.458 0.000 18.077) 19.196 6.153 ( -3.325 -0.000 -9.162) 9.747 6.268 ( -3.091 -0.000 4.503) 5.462 6.385 ( -0.139 -0.000 -2.100) 2.104 6.418 ( -0.012 -0.000 4.355) 4.355 6.559 ( -8.181 -0.000 0.710) 8.212 6.691 ( -2.161 -0.000 -14.426) 14.587 6.966 ( 2.234 0.000 -2.410) 3.287 7.141 ( 10.708 0.000 2.712) 11.046 7.375 ( 2.315 0.000 6.745) 7.132 7.585 ( -0.441 -0.000 -7.731) 7.743 7.614 ( 7.601 0.000 -3.031) 8.183 8.084 ( 0.366 0.000 -2.589) 2.615 8.392 ( 11.301 0.000 -1.760) 11.438 8.420 ( 17.270 0.000 2.240) 17.415 8.620 ( 4.618 0.000 -0.796) 4.686 8.675 ( 13.707 0.000 -0.955) 13.740 8.933 ( 1.526 0.000 1.861) 2.406 9.002 ( 8.953 0.000 -0.079) 8.954 9.223 ( 11.040 0.000 4.217) 11.818 9.258 ( 3.300 0.000 9.707) 10.253 9.367 ( 9.446 0.000 -6.484) 11.457 9.534 ( 3.172 0.000 -4.878) 5.819 9.949 ( -10.470 -0.000 1.129) 10.531 10.116 ( 1.623 0.000 -5.856) 6.076 10.177 ( -13.116 -0.000 -3.641) 13.612 10.202 ( -2.676 -0.000 22.564) 22.722 10.740 ( 2.396 0.000 11.049) 11.305 11.303 ( 8.576 0.000 -5.045) 9.950 11.872 ( -4.049 -0.000 -3.721) 5.499 12.283 ( 0.430 0.000 -0.010) 0.430 12.643 ( -3.675 -0.000 5.532) 6.642 12.740 ( -4.623 -0.000 -1.909) 5.002 13.021 ( 1.789 0.000 -1.867) 2.586 13.157 ( 0.814 0.000 1.704) 1.888 14.612 ( 6.366 0.000 -3.245) 7.146 14.966 ( 8.629 0.000 4.522) 9.742 15.065 ( -1.968 -0.000 15.267) 15.393 15.089 ( -8.779 -0.000 18.328) 20.322 15.415 ( -10.936 -0.000 -3.357) 11.439 15.467 ( -17.751 -0.000 -11.848) 21.342 15.936 ( 0.358 0.000 1.988) 2.019 15.946 ( 4.876 0.000 -17.560) 18.225 16.249 ( -9.136 -0.000 -0.909) 9.181 16.416 ( -20.399 -0.000 8.729) 22.188 16.715 ( -11.859 -0.000 -13.203) 17.747 17.195 ( -3.255 -0.000 7.479) 8.156 17.357 ( 2.965 0.000 0.021) 2.965 17.483 ( 2.336 0.000 -2.044) 3.104 17.791 ( -6.394 -0.000 -2.208) 6.764 17.836 ( -3.317 -0.000 1.870) 3.808 18.556 ( 11.676 0.000 -8.177) 14.254 18.649 ( 5.517 0.000 5.309) 7.656 19.012 ( -2.389 -0.000 16.301) 16.475 19.067 ( -9.729 -0.000 -6.228) 11.552 19.395 ( -6.488 -0.000 -2.618) 6.996 19.431 ( -10.699 -0.000 -0.608) 10.716 20.263 ( -17.721 -0.000 -2.920) 17.960 20.521 ( -4.773 -0.000 -0.185) 4.777 20.696 ( -1.102 -0.000 4.888) 5.011 20.792 ( -10.496 -0.000 -1.847) 10.658 21.801 ( -16.458 -0.000 -10.715) 19.638 23.259 ( 1.317 0.000 12.303) 12.373 24.356 ( 15.111 0.000 -8.264) 17.223 25.153 ( 12.189 0.000 3.683) 12.733 25.735 ( 11.757 0.000 -1.778) 11.890 25.923 ( 18.465 0.000 10.151) 21.071 26.465 ( 0.089 0.000 -5.677) 5.678 26.738 ( 6.291 0.000 -0.299) 6.298 ======================= Grid point 154 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -19.865 4.818 16.456) 26.241 0.966 ( -20.940 -3.036 -12.043) 24.346 1.191 ( -4.876 -3.703 3.916) 7.268 1.216 ( -5.063 -5.929 0.047) 7.797 1.340 ( -12.617 10.379 9.187) 18.744 1.626 ( -12.119 1.346 -4.099) 12.864 2.017 ( -15.084 -13.268 5.767) 20.901 2.060 ( -14.284 -7.056 10.496) 19.079 2.154 ( -5.605 -1.628 -0.639) 5.872 2.204 ( -11.608 -9.376 10.481) 18.235 2.336 ( -19.091 -10.095 -3.211) 21.833 2.432 ( -2.162 -2.142 -0.226) 3.052 2.680 ( -5.753 1.896 -7.032) 9.281 2.780 ( -3.410 0.514 -2.942) 4.533 2.857 ( -0.872 0.226 -0.731) 1.160 3.068 ( 2.584 1.045 4.565) 5.349 3.105 ( 2.309 -0.063 1.114) 2.564 3.262 ( 1.189 3.775 2.346) 4.600 3.538 ( -3.999 6.016 5.682) 9.191 3.710 ( -4.528 -0.930 -10.774) 11.724 3.907 ( 4.589 -0.731 9.055) 10.177 3.988 ( -1.909 -0.851 -11.395) 11.585 4.244 ( 2.005 -0.141 -3.318) 3.879 4.298 ( 5.845 4.871 -2.465) 7.998 4.574 ( 9.879 5.492 -4.251) 12.076 4.657 ( 5.570 -5.357 -0.187) 7.730 4.874 ( 10.680 5.781 -0.221) 12.146 5.037 ( -2.491 3.542 -0.344) 4.343 5.228 ( -7.128 -1.780 4.785) 8.768 5.278 ( 3.203 -2.472 -1.740) 4.404 5.342 ( -8.256 1.901 -5.981) 10.370 5.476 ( -12.510 0.933 -9.344) 15.642 5.866 ( -2.420 1.493 2.531) 3.806 6.086 ( -9.026 -2.121 -5.632) 10.849 6.231 ( -1.313 3.604 4.154) 5.654 6.256 ( -5.041 1.684 2.184) 5.746 6.309 ( -1.802 -2.969 -2.131) 4.075 6.437 ( -1.264 -0.688 6.363) 6.524 6.573 ( -5.450 -9.098 6.900) 12.653 6.710 ( 4.152 -1.960 -2.109) 5.053 6.968 ( 2.509 0.723 -2.656) 3.725 7.265 ( 7.464 -1.883 4.711) 9.025 7.436 ( 2.334 -1.400 4.220) 5.022 7.571 ( 5.241 -0.430 -8.332) 9.853 7.663 ( 4.797 0.920 -4.368) 6.553 8.130 ( 2.363 -4.987 1.627) 5.754 8.397 ( -0.186 5.244 -4.898) 7.178 8.555 ( 5.144 5.838 0.912) 7.834 8.650 ( 5.710 1.431 0.692) 5.928 8.772 ( 13.082 0.139 -1.920) 13.223 9.011 ( 4.982 3.746 -0.313) 6.241 9.017 ( 8.027 -1.187 -1.099) 8.189 9.193 ( 4.638 9.641 6.766) 12.659 9.306 ( 6.012 4.909 -7.620) 10.877 9.390 ( 6.435 5.456 5.928) 10.311 9.599 ( 5.768 -1.054 -5.404) 7.974 9.864 ( -8.542 -1.422 3.135) 9.209 9.989 ( -11.968 4.914 -0.513) 12.948 10.154 ( -0.740 -5.650 -1.584) 5.914 10.213 ( -4.657 -0.234 11.456) 12.369 10.757 ( 5.490 8.799 11.938) 15.814 11.269 ( 3.432 11.741 -2.154) 12.421 11.915 ( 1.374 -9.234 2.258) 9.605 12.431 ( 3.649 -9.479 -0.734) 10.183 12.631 ( -2.327 -0.188 0.549) 2.399 12.704 ( -1.069 -2.857 1.378) 3.347 13.034 ( 0.607 0.687 -1.275) 1.570 13.167 ( 0.542 -0.491 0.613) 0.954 14.657 ( 6.015 0.489 -3.581) 7.017 14.902 ( -1.388 8.211 16.008) 18.045 15.033 ( -9.885 -2.243 0.282) 10.140 15.238 ( 0.437 2.805 -6.000) 6.638 15.330 ( -9.610 -9.600 -2.337) 13.783 15.366 ( -7.627 -15.282 11.336) 20.499 15.907 ( 4.635 0.776 -3.781) 6.032 16.089 ( 0.171 -7.794 -3.238) 8.442 16.192 ( -10.493 -5.867 -4.641) 12.886 16.303 ( -16.450 -4.109 1.778) 17.048 16.531 ( -7.579 0.812 -1.943) 7.866 17.155 ( -3.165 3.917 8.866) 10.196 17.359 ( 4.595 3.974 -2.815) 6.696 17.502 ( 2.006 -0.066 -1.544) 2.532 17.730 ( -5.684 -0.520 -1.694) 5.954 17.808 ( -4.155 -0.876 1.762) 4.598 18.492 ( 1.871 8.026 -2.101) 8.505 18.739 ( 4.586 1.570 4.105) 6.352 18.908 ( -8.302 4.167 -6.573) 11.380 19.095 ( -3.024 6.203 16.495) 17.880 19.360 ( -8.225 -16.474 0.004) 18.413 19.465 ( -5.200 -9.862 -1.100) 11.202 20.027 ( -1.763 -1.779 -11.782) 12.046 20.505 ( -4.394 0.050 2.906) 5.269 20.692 ( -7.541 -1.063 -1.029) 7.685 20.830 ( -10.121 -6.565 1.239) 12.127 21.738 ( -3.864 -10.163 2.439) 11.143 23.392 ( 2.889 -10.267 0.077) 10.666 24.441 ( 16.163 7.756 -0.178) 17.928 25.228 ( 9.581 4.374 2.228) 10.765 25.830 ( 8.865 2.167 -0.958) 9.176 26.093 ( 14.002 3.787 11.269) 18.368 26.382 ( -0.949 6.929 -5.970) 9.195 26.758 ( 5.511 4.058 -2.116) 7.163 ======================= Grid point 163 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -16.655 -0.000 8.397) 18.652 0.795 ( -24.412 -0.000 17.002) 29.749 1.100 ( -8.327 -0.000 -2.316) 8.644 1.117 ( -4.227 -0.000 2.526) 4.924 1.310 ( -21.488 -0.000 5.517) 22.185 1.485 ( -33.093 -0.000 34.197) 47.588 1.606 ( -14.253 -0.000 -7.035) 15.894 1.803 ( -10.928 -0.000 13.927) 17.703 1.835 ( -20.087 -0.000 6.179) 21.015 2.087 ( -4.318 -0.000 0.276) 4.327 2.218 ( -0.125 -0.000 1.265) 1.271 2.400 ( -1.052 -0.000 0.248) 1.081 2.626 ( -5.587 -0.000 -5.111) 7.572 2.751 ( -0.868 -0.000 0.313) 0.923 2.852 ( 0.107 0.000 -1.478) 1.482 3.114 ( 2.233 0.000 4.191) 4.749 3.137 ( 2.848 0.000 0.527) 2.896 3.327 ( -0.095 -0.000 0.840) 0.845 3.492 ( -10.011 -0.000 -2.517) 10.322 3.652 ( 1.652 0.000 -23.321) 23.380 3.921 ( 0.229 0.000 -6.736) 6.740 4.037 ( 12.684 0.000 19.660) 23.397 4.282 ( 0.004 0.000 3.570) 3.570 4.443 ( 9.812 0.000 -0.764) 9.842 4.542 ( 3.063 0.000 -19.714) 19.950 4.830 ( 16.126 0.000 3.358) 16.472 5.001 ( 3.876 0.000 -3.987) 5.561 5.015 ( -7.184 -0.000 -3.120) 7.832 5.207 ( -2.697 -0.000 2.274) 3.528 5.212 ( 1.022 0.000 -4.727) 4.836 5.390 ( -3.083 -0.000 -10.680) 11.116 5.393 ( 1.963 0.000 5.379) 5.726 5.824 ( -7.712 -0.000 6.943) 10.377 5.899 ( -14.001 -0.000 -8.045) 16.148 6.162 ( -5.337 -0.000 -0.057) 5.338 6.246 ( -4.977 -0.000 -17.848) 18.529 6.396 ( 3.948 0.000 19.471) 19.867 6.427 ( -2.276 -0.000 -0.038) 2.276 6.434 ( -1.992 -0.000 8.320) 8.555 6.734 ( 4.108 0.000 0.976) 4.223 6.989 ( 1.667 0.000 -4.318) 4.629 7.309 ( 1.660 0.000 2.703) 3.172 7.468 ( 0.869 0.000 8.997) 9.039 7.579 ( 4.649 0.000 -1.860) 5.007 7.700 ( 3.193 0.000 -7.062) 7.751 8.050 ( -1.669 -0.000 0.391) 1.714 8.412 ( -7.242 -0.000 -2.314) 7.603 8.632 ( -2.644 -0.000 -7.057) 7.536 8.754 ( 8.488 0.000 0.836) 8.529 8.932 ( 8.314 0.000 -3.666) 9.086 8.958 ( 0.577 0.000 0.209) 0.613 9.083 ( 6.445 0.000 -8.710) 10.835 9.344 ( 2.970 0.000 1.485) 3.320 9.465 ( 9.937 0.000 3.303) 10.472 9.558 ( 8.341 0.000 -2.255) 8.640 9.597 ( 4.246 0.000 -3.169) 5.298 9.766 ( -7.186 -0.000 4.971) 8.738 9.897 ( -11.747 -0.000 -1.595) 11.855 10.147 ( -10.764 -0.000 1.429) 10.858 10.149 ( 4.334 0.000 -7.256) 8.452 11.219 ( 27.051 0.000 35.050) 44.275 11.439 ( 7.098 0.000 -4.836) 8.589 11.826 ( 6.245 0.000 12.026) 13.551 12.284 ( -1.928 -0.000 4.277) 4.691 12.627 ( -0.048 -0.000 1.819) 1.819 12.642 ( -3.222 -0.000 -1.934) 3.758 13.082 ( 3.844 0.000 -0.115) 3.846 13.168 ( -0.220 -0.000 -0.154) 0.268 14.686 ( 4.585 0.000 -2.478) 5.212 14.902 ( -9.574 -0.000 2.083) 9.798 15.000 ( -15.210 -0.000 -4.358) 15.822 15.093 ( -3.743 -0.000 8.741) 9.508 15.150 ( -3.710 -0.000 19.351) 19.703 15.209 ( -8.615 -0.000 -2.627) 9.007 15.946 ( 6.800 0.000 -25.926) 26.803 15.987 ( -0.652 -0.000 -2.549) 2.631 16.095 ( -4.293 -0.000 0.605) 4.335 16.177 ( -6.767 -0.000 -2.543) 7.229 16.515 ( -0.313 -0.000 8.489) 8.495 17.185 ( -3.837 -0.000 10.159) 10.859 17.446 ( 5.054 0.000 -3.547) 6.174 17.516 ( 2.549 0.000 -3.652) 4.453 17.669 ( -4.667 -0.000 -1.296) 4.844 17.753 ( -5.247 -0.000 1.026) 5.346 18.731 ( -0.529 -0.000 0.526) 0.745 18.785 ( 13.961 0.000 -5.537) 15.019 18.836 ( -7.510 -0.000 -4.938) 8.988 19.061 ( -8.740 -0.000 1.807) 8.924 19.213 ( -7.417 -0.000 -4.744) 8.804 19.358 ( 5.819 0.000 14.625) 15.740 19.836 ( -10.865 -0.000 8.073) 13.536 20.466 ( -0.969 -0.000 1.294) 1.616 20.633 ( -5.691 -0.000 0.298) 5.699 20.706 ( -2.968 -0.000 1.140) 3.180 21.710 ( 13.814 0.000 26.282) 29.691 23.268 ( -2.138 -0.000 -0.858) 2.303 24.682 ( 13.949 0.000 4.937) 14.797 25.340 ( 5.031 0.000 -1.442) 5.234 25.920 ( 6.396 0.000 0.258) 6.402 26.272 ( 6.752 0.000 1.203) 6.858 26.486 ( 6.661 0.000 2.682) 7.181 26.835 ( 4.424 0.000 -4.186) 6.091 ======================= Grid point 164 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 2.135 0.000 -7.489) 7.788 1.025 ( -2.135 -0.000 7.489) 7.788 1.054 ( -6.316 -0.000 -9.275) 11.221 1.054 ( 6.316 0.000 9.275) 11.221 1.160 ( -1.863 -0.000 0.324) 1.891 1.160 ( 1.863 0.000 -0.324) 1.891 1.876 ( -6.014 -0.000 -11.381) 12.872 1.876 ( 6.014 0.000 11.381) 12.872 2.340 ( -2.328 -0.000 -2.443) 3.375 2.340 ( 2.328 0.000 2.443) 3.375 2.416 ( 8.176 0.000 -16.012) 17.978 2.416 ( -8.176 -0.000 16.012) 17.978 2.423 ( 4.692 0.000 -43.321) 43.574 2.423 ( -4.692 -0.000 43.321) 43.574 3.072 ( -4.527 -0.000 -1.102) 4.659 3.072 ( 4.527 0.000 1.102) 4.659 3.171 ( 0.289 0.000 -2.409) 2.426 3.171 ( -0.289 -0.000 2.409) 2.426 3.342 ( -9.080 -0.000 -15.267) 17.763 3.342 ( 9.080 0.000 15.267) 17.763 3.666 ( 11.040 0.000 -13.621) 17.533 3.666 ( -11.040 -0.000 13.621) 17.533 4.350 ( 3.638 0.000 -2.453) 4.388 4.350 ( -3.638 -0.000 2.453) 4.388 4.852 ( 2.532 0.000 -3.046) 3.961 4.852 ( -2.532 -0.000 3.046) 3.961 5.120 ( -15.814 -0.000 0.956) 15.843 5.120 ( 15.814 0.000 -0.956) 15.843 5.157 ( -2.732 -0.000 -2.498) 3.702 5.157 ( 2.732 0.000 2.498) 3.702 5.486 ( -12.109 -0.000 -3.921) 12.728 5.486 ( 12.109 0.000 3.921) 12.728 5.672 ( -16.078 -0.000 -0.919) 16.104 5.672 ( 16.078 0.000 0.919) 16.104 5.976 ( -3.150 -0.000 -1.098) 3.336 5.976 ( 3.150 0.000 1.098) 3.336 6.380 ( 1.684 0.000 -0.820) 1.874 6.380 ( -1.684 -0.000 0.820) 1.874 6.823 ( -3.538 -0.000 -0.348) 3.555 6.823 ( 3.538 0.000 0.348) 3.555 7.246 ( -4.381 -0.000 -18.689) 19.195 7.246 ( 4.381 0.000 18.689) 19.195 7.549 ( -2.962 -0.000 -1.009) 3.130 7.549 ( 2.962 0.000 1.009) 3.130 7.883 ( -10.051 -0.000 -5.725) 11.567 7.883 ( 10.051 0.000 5.725) 11.567 8.357 ( -2.335 -0.000 -2.550) 3.457 8.357 ( 2.335 0.000 2.550) 3.457 8.897 ( 0.683 0.000 -5.077) 5.122 8.897 ( -0.683 -0.000 5.077) 5.122 8.969 ( 0.408 0.000 -2.769) 2.799 8.969 ( -0.408 -0.000 2.769) 2.799 9.528 ( -1.550 -0.000 -4.722) 4.970 9.528 ( 1.550 0.000 4.722) 4.970 9.687 ( 5.542 0.000 -2.955) 6.280 9.687 ( -5.542 -0.000 2.955) 6.280 9.726 ( 7.020 0.000 -3.549) 7.866 9.726 ( -7.020 -0.000 3.549) 7.866 10.026 ( 5.440 0.000 -6.923) 8.805 10.026 ( -5.440 -0.000 6.923) 8.805 11.451 ( 5.445 0.000 -3.977) 6.742 11.451 ( -5.445 -0.000 3.977) 6.742 12.380 ( 5.431 0.000 -6.234) 8.268 12.380 ( -5.431 -0.000 6.234) 8.268 12.631 ( -2.685 -0.000 -0.066) 2.686 12.631 ( 2.685 0.000 0.066) 2.686 13.152 ( -0.837 -0.000 -0.689) 1.084 13.152 ( 0.837 0.000 0.689) 1.084 14.786 ( 2.153 0.000 -1.996) 2.936 14.786 ( -2.153 -0.000 1.996) 2.936 14.987 ( -6.044 -0.000 -5.402) 8.107 14.987 ( 6.044 0.000 5.402) 8.107 15.184 ( -2.296 -0.000 -1.941) 3.006 15.184 ( 2.296 0.000 1.941) 3.006 15.608 ( 10.543 0.000 -7.740) 13.079 15.608 ( -10.543 -0.000 7.740) 13.079 16.041 ( 1.492 0.000 -2.063) 2.546 16.041 ( -1.492 -0.000 2.063) 2.546 17.137 ( -9.016 -0.000 -10.690) 13.984 17.137 ( 9.016 0.000 10.690) 13.984 17.414 ( 4.614 0.000 -6.983) 8.369 17.414 ( -4.614 -0.000 6.983) 8.369 17.621 ( -5.822 -0.000 0.009) 5.822 17.621 ( 5.822 0.000 -0.009) 5.822 18.649 ( 5.419 0.000 -5.397) 7.648 18.649 ( -5.419 -0.000 5.397) 7.648 18.996 ( 7.820 0.000 -3.087) 8.408 18.996 ( -7.820 -0.000 3.087) 8.408 19.054 ( -8.002 -0.000 1.470) 8.136 19.054 ( 8.002 0.000 -1.470) 8.136 20.415 ( -7.631 -0.000 -1.395) 7.758 20.415 ( 7.631 0.000 1.395) 7.758 20.613 ( -0.464 -0.000 -2.243) 2.290 20.613 ( 0.464 0.000 2.243) 2.290 22.966 ( -16.887 -0.000 -9.572) 19.411 22.966 ( 16.887 0.000 9.572) 19.411 25.156 ( -4.902 -0.000 -11.509) 12.509 25.156 ( 4.902 0.000 11.509) 12.509 26.077 ( -3.819 -0.000 -4.864) 6.184 26.077 ( 3.819 0.000 4.864) 6.184 26.725 ( 2.533 0.000 -8.563) 8.930 26.725 ( -2.533 -0.000 8.563) 8.930 ======================= Grid point 166 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 7.473 -4.217 -10.552) 13.601 1.121 ( -1.644 -8.788 0.377) 8.949 1.154 ( 3.901 -8.250 -4.887) 10.352 1.192 ( -1.322 -6.574 0.707) 6.743 1.310 ( 6.501 -13.680 -5.396) 16.078 1.441 ( 11.744 -11.769 18.897) 25.170 1.788 ( -1.596 -2.034 -18.469) 18.649 1.924 ( 4.944 3.213 8.101) 10.020 2.148 ( 7.468 11.497 -33.250) 35.966 2.293 ( 1.056 4.807 18.273) 18.924 2.311 ( -1.339 -0.242 -4.361) 4.569 2.397 ( 4.217 -1.277 4.941) 6.620 2.608 ( 2.015 -11.180 -11.440) 16.122 2.728 ( 5.587 -9.686 9.599) 14.737 2.935 ( -7.140 1.170 -5.924) 9.352 3.100 ( 4.584 0.526 2.551) 5.272 3.162 ( -0.361 0.285 -0.495) 0.675 3.182 ( 0.940 -0.022 2.872) 3.022 3.316 ( 2.571 -4.165 -15.509) 16.263 3.514 ( 3.088 -3.431 8.426) 9.608 3.681 ( -2.433 -3.138 28.226) 28.504 3.770 ( 7.718 -3.386 -2.980) 8.940 4.293 ( -2.441 4.544 1.966) 5.520 4.320 ( -1.254 7.556 -1.321) 7.772 4.730 ( -10.228 6.457 -8.770) 14.941 4.826 ( -0.435 4.452 5.241) 6.890 4.952 ( -13.186 -2.854 2.128) 13.658 5.055 ( -6.305 0.522 -3.916) 7.441 5.143 ( 2.324 2.254 3.104) 4.485 5.218 ( 4.408 2.710 -2.702) 5.838 5.306 ( -4.342 5.261 -6.321) 9.299 5.428 ( -1.742 8.684 -0.773) 8.890 5.754 ( 4.037 -11.375 2.376) 12.302 5.865 ( 7.446 -1.551 4.520) 8.848 5.947 ( 1.140 -1.207 -4.759) 5.040 6.068 ( 8.873 -2.317 5.447) 10.666 6.418 ( 0.113 -4.241 0.954) 4.349 6.463 ( 3.002 -5.334 0.279) 6.127 6.790 ( -4.399 -0.539 0.231) 4.438 6.867 ( 2.592 -1.182 -1.075) 3.045 7.136 ( -5.051 -0.535 -19.619) 20.266 7.314 ( 1.580 1.449 13.892) 14.056 7.494 ( -2.142 2.333 0.799) 3.266 7.549 ( 2.147 2.821 1.562) 3.874 7.797 ( -11.179 -3.204 -5.907) 13.044 8.069 ( 10.613 -4.571 2.313) 11.784 8.351 ( -1.959 -1.434 -2.419) 3.427 8.473 ( 7.323 -2.535 0.269) 7.754 8.835 ( -5.891 3.384 3.456) 7.623 8.892 ( -6.850 3.805 -0.619) 7.861 8.953 ( 1.590 -5.905 1.337) 6.260 9.016 ( 0.367 -3.310 1.609) 3.699 9.374 ( -7.152 8.704 1.339) 11.345 9.409 ( -4.471 13.546 -2.076) 14.415 9.512 ( -2.663 4.991 -1.772) 5.928 9.658 ( -0.584 7.461 5.712) 9.415 9.736 ( 5.152 -0.512 -3.258) 6.117 9.790 ( 2.497 0.460 0.502) 2.588 10.099 ( -0.026 -9.445 -0.377) 9.453 10.139 ( 3.805 -6.510 1.165) 7.630 11.189 ( -7.023 19.285 1.940) 20.615 11.280 ( 2.978 18.285 -3.071) 18.779 12.331 ( -6.802 -1.275 -5.763) 9.006 12.407 ( 0.659 0.561 2.730) 2.864 12.638 ( -5.543 -4.184 -0.064) 6.945 12.733 ( 1.286 -8.065 -0.961) 8.223 13.075 ( -2.393 4.216 -1.178) 4.989 13.125 ( 1.611 1.587 1.754) 2.862 14.833 ( -5.633 1.763 -5.348) 7.964 14.937 ( 0.788 2.450 3.590) 4.417 14.983 ( -2.708 -11.996 -0.601) 12.312 15.054 ( -0.377 -12.661 2.482) 12.907 15.286 ( 4.428 -6.998 0.472) 8.295 15.394 ( 12.060 -11.736 -0.012) 16.828 15.582 ( 3.569 -5.187 -3.593) 7.249 15.705 ( 7.760 -4.517 9.996) 13.437 16.077 ( 1.197 -3.425 0.158) 3.631 16.102 ( 3.139 -3.670 -0.993) 4.930 16.991 ( -8.094 0.463 -14.744) 16.826 17.208 ( 5.409 3.578 7.660) 10.037 17.333 ( -5.767 5.646 4.541) 9.261 17.424 ( 3.221 1.268 -1.285) 3.692 17.613 ( 0.052 -2.002 0.653) 2.107 17.702 ( 6.707 -0.930 0.249) 6.776 18.558 ( 0.193 7.792 8.814) 11.766 18.565 ( 2.060 11.203 -5.278) 12.555 18.883 ( -3.911 -2.894 0.882) 4.944 19.015 ( 8.194 0.161 -1.264) 8.292 19.197 ( 1.281 -12.356 1.613) 12.526 19.299 ( 10.429 -7.882 0.495) 13.081 20.313 ( -13.604 -1.763 -4.081) 14.312 20.504 ( 4.113 -3.693 -1.773) 5.805 20.599 ( 2.965 2.246 -2.761) 4.632 20.640 ( 5.048 0.454 2.413) 5.614 22.587 ( -20.585 7.304 -25.896) 33.878 22.998 ( 4.943 8.492 20.984) 23.170 25.043 ( -11.648 1.456 -12.141) 16.888 25.242 ( 1.626 -0.465 7.910) 8.089 25.986 ( -5.486 3.343 -2.708) 6.972 26.087 ( 1.385 4.101 7.423) 8.593 26.627 ( -4.100 6.921 -7.191) 10.790 26.686 ( -1.628 4.104 6.711) 8.033 ======================= Grid point 167 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -0.398 -3.181 -13.217) 13.600 1.267 ( 3.335 -8.079 -1.909) 8.947 1.300 ( -5.919 -8.986 -10.906) 15.321 1.410 ( 5.106 -14.076 -5.045) 15.801 1.517 ( 3.323 0.191 -3.528) 4.850 1.575 ( -1.708 -11.193 11.655) 16.249 1.766 ( 12.254 9.560 -13.751) 20.752 1.997 ( 7.891 -0.072 4.208) 8.943 2.096 ( 8.786 -0.178 -7.960) 11.857 2.235 ( -2.047 3.872 1.446) 4.612 2.389 ( 6.658 0.612 2.570) 7.163 2.483 ( 4.719 1.015 4.117) 6.344 2.765 ( 1.968 -4.559 -3.358) 5.994 2.782 ( -2.603 -0.035 -4.638) 5.318 2.945 ( 0.598 -0.941 -4.641) 4.773 3.139 ( 7.388 3.950 2.279) 8.682 3.154 ( -0.502 0.566 -1.762) 1.917 3.268 ( 5.680 -1.589 11.261) 12.712 3.443 ( 8.214 -8.863 -22.388) 25.441 3.625 ( -5.426 -8.116 17.020) 19.621 3.767 ( 2.102 -1.621 1.545) 3.071 3.894 ( -2.970 -2.278 15.179) 15.634 4.107 ( 0.061 3.474 0.327) 3.490 4.240 ( 5.667 0.973 3.633) 6.801 4.596 ( -1.327 -1.521 -1.206) 2.351 4.612 ( -7.526 14.952 -2.120) 16.873 4.873 ( -9.198 7.857 -4.186) 12.801 4.969 ( -8.937 -7.002 2.520) 11.630 5.101 ( -0.512 1.223 -0.760) 1.528 5.220 ( 0.602 -3.175 2.154) 3.883 5.326 ( 10.798 -2.288 -1.215) 11.104 5.407 ( 4.206 -6.050 -4.428) 8.597 5.810 ( -4.785 2.471 2.322) 5.865 5.951 ( 0.003 -4.051 3.742) 5.515 6.076 ( 9.260 -3.535 -1.783) 10.071 6.260 ( 11.635 -4.068 3.641) 12.852 6.514 ( 1.415 -4.735 -2.620) 5.593 6.551 ( -1.394 -1.328 -3.422) 3.927 6.747 ( -5.270 -0.363 1.154) 5.407 6.901 ( 1.204 -1.487 -3.669) 4.138 7.074 ( -2.401 -2.721 -11.785) 12.331 7.308 ( -2.221 2.718 11.479) 12.004 7.449 ( -2.780 -0.052 0.227) 2.790 7.518 ( -0.757 2.379 3.689) 4.455 7.723 ( -8.181 -2.212 -5.409) 10.054 8.155 ( 8.693 6.552 -0.760) 10.912 8.321 ( -6.075 1.101 -2.979) 6.855 8.460 ( -2.104 5.042 -1.547) 5.678 8.725 ( -7.284 4.060 -0.789) 8.377 8.792 ( -3.236 0.384 6.873) 7.607 8.988 ( -7.571 3.862 -1.568) 8.643 9.016 ( -4.921 5.380 0.187) 7.293 9.129 ( -2.566 8.748 1.055) 9.178 9.185 ( -0.321 4.739 -0.971) 4.848 9.372 ( -0.588 8.177 2.997) 8.729 9.510 ( -3.358 6.153 -0.450) 7.024 9.782 ( 7.348 0.917 -2.077) 7.691 9.882 ( 2.124 -7.516 4.335) 8.933 10.293 ( 0.855 -6.546 3.017) 7.258 10.314 ( 4.828 -11.468 -2.928) 12.783 10.771 ( -4.804 16.932 -6.539) 18.775 11.000 ( 3.682 14.049 0.624) 14.537 12.271 ( -5.336 -1.789 -6.851) 8.866 12.399 ( 0.434 1.434 3.911) 4.188 12.647 ( -3.210 -1.686 1.043) 3.773 12.869 ( 0.966 -4.762 0.628) 4.899 13.008 ( -1.934 -0.717 -3.660) 4.201 13.175 ( 1.401 -3.582 2.850) 4.787 14.708 ( -9.496 2.722 -5.928) 11.521 14.762 ( -6.335 9.485 9.331) 14.737 15.017 ( 1.938 6.694 -5.865) 9.109 15.265 ( -0.674 -10.202 -0.549) 10.239 15.486 ( 0.594 -12.714 1.715) 12.842 15.728 ( 15.333 0.592 6.871) 16.813 15.812 ( 4.954 -16.627 -2.597) 17.543 16.070 ( 8.831 -13.436 -0.420) 16.084 16.229 ( 3.924 -9.181 2.897) 10.396 16.242 ( 5.464 -15.122 -1.788) 16.178 16.920 ( -2.045 -3.331 -13.201) 13.768 17.145 ( -6.854 5.781 7.520) 11.703 17.180 ( 4.661 7.186 -2.586) 8.947 17.459 ( 3.173 -1.359 3.636) 5.013 17.662 ( 3.613 -1.393 -0.259) 3.881 17.784 ( 5.064 -1.031 1.398) 5.354 18.412 ( -1.218 4.308 -0.726) 4.536 18.502 ( 5.527 3.864 7.494) 10.082 18.880 ( -2.879 1.206 -1.894) 3.651 19.065 ( 6.396 4.811 -1.647) 8.170 19.515 ( 8.470 -13.793 4.065) 16.688 19.564 ( 10.778 -9.708 -1.124) 14.549 20.233 ( -17.189 -11.010 -2.252) 20.536 20.589 ( 9.898 4.133 -4.628) 11.682 20.643 ( -0.089 -9.328 -3.004) 9.800 20.711 ( 10.267 -0.721 2.003) 10.485 22.336 ( -10.405 -5.931 -21.561) 24.665 23.037 ( 4.549 -0.884 27.182) 27.574 24.757 ( -16.680 9.175 -14.665) 24.030 25.188 ( -2.978 8.161 4.111) 9.611 25.829 ( -6.066 6.789 -2.835) 9.535 26.007 ( -0.067 8.317 10.440) 13.348 26.395 ( -7.640 7.536 -11.461) 15.701 26.595 ( -1.767 6.068 6.698) 9.209 ======================= Grid point 168 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -10.446 2.521 -19.454) 22.225 1.255 ( -0.774 12.376 -7.920) 14.713 1.386 ( -3.220 -2.424 -4.434) 5.992 1.503 ( 4.451 -7.020 -1.291) 8.412 1.577 ( 4.469 3.602 1.460) 5.923 1.787 ( -12.801 -0.472 -4.900) 13.714 1.839 ( 1.657 -0.213 -0.477) 1.737 2.007 ( 2.686 -0.281 2.906) 3.967 2.079 ( -1.265 10.785 -0.699) 10.881 2.179 ( 10.573 -1.213 1.719) 10.781 2.371 ( 9.050 3.804 2.775) 10.202 2.457 ( 8.363 0.904 0.567) 8.431 2.755 ( -0.622 0.402 0.003) 0.740 2.792 ( 0.659 -0.268 -1.667) 1.812 2.922 ( -0.771 0.369 -5.070) 5.142 3.119 ( 2.814 4.225 0.645) 5.117 3.126 ( 0.239 1.674 -0.926) 1.928 3.370 ( 4.982 -1.804 6.847) 8.658 3.590 ( 5.441 -6.007 -18.443) 20.146 3.746 ( -6.465 -4.562 10.323) 13.006 3.818 ( -0.695 -1.745 16.233) 16.341 3.926 ( -4.172 -1.694 -4.130) 6.110 4.191 ( -6.679 14.351 -4.823) 16.548 4.270 ( 9.287 -8.167 1.614) 12.472 4.429 ( -8.136 12.620 2.670) 15.251 4.526 ( 12.140 -14.248 6.976) 19.977 4.891 ( 7.380 -10.461 -0.893) 12.834 5.024 ( -3.583 -4.967 -1.859) 6.400 5.157 ( 2.463 -6.230 -0.707) 6.736 5.308 ( -0.245 -5.547 1.922) 5.876 5.513 ( 12.365 -3.821 -2.140) 13.117 5.617 ( 5.544 -10.040 1.022) 11.515 5.743 ( -4.084 0.023 2.478) 4.778 5.968 ( -0.134 1.959 2.956) 3.549 6.210 ( 5.484 -3.486 -1.956) 6.786 6.402 ( -1.919 3.477 -7.774) 8.729 6.440 ( -0.292 0.639 1.571) 1.721 6.567 ( 0.602 0.254 -4.450) 4.498 6.690 ( -5.633 1.115 -1.236) 5.874 6.932 ( 1.820 -1.548 -2.397) 3.385 7.121 ( 0.708 -2.497 2.931) 3.915 7.254 ( -5.122 -0.732 1.278) 5.330 7.436 ( -2.462 -0.013 3.945) 4.650 7.475 ( -2.906 0.410 4.543) 5.408 7.679 ( -3.837 -0.666 -4.626) 6.046 8.089 ( 6.913 6.519 -1.291) 9.589 8.184 ( -7.329 2.566 -2.448) 8.141 8.356 ( -1.533 4.405 -2.297) 5.199 8.580 ( -4.223 4.887 1.448) 6.619 8.647 ( -9.483 8.538 2.241) 12.956 8.761 ( -7.884 8.722 -2.271) 11.975 8.845 ( -2.281 9.424 -0.877) 9.736 8.975 ( -5.785 2.935 0.888) 6.547 9.115 ( -0.505 4.764 -1.580) 5.044 9.295 ( 0.202 2.086 9.412) 9.643 9.398 ( 0.087 3.165 -4.677) 5.648 9.837 ( 4.578 0.137 -2.582) 5.258 10.074 ( 1.711 -8.670 5.218) 10.263 10.384 ( -1.638 -2.853 1.021) 3.444 10.482 ( -1.889 7.090 -7.515) 10.503 10.562 ( 7.042 -7.007 -2.257) 10.188 10.892 ( 4.814 3.664 1.954) 6.357 12.250 ( -2.714 -2.002 -3.343) 4.749 12.410 ( 1.141 -1.149 1.309) 2.082 12.631 ( -1.086 1.641 2.477) 3.164 12.935 ( 1.710 -1.312 3.380) 4.009 13.029 ( -1.387 -4.253 -6.227) 7.667 13.256 ( -0.241 -3.317 2.058) 3.911 14.459 ( -9.995 8.946 3.316) 13.818 14.644 ( -3.859 2.458 0.811) 4.647 14.874 ( 2.889 7.813 -7.826) 11.429 15.413 ( 0.856 -5.783 2.523) 6.367 15.700 ( 0.568 -9.026 2.089) 9.282 15.885 ( 14.574 2.662 5.641) 15.853 15.991 ( -3.114 -7.997 -3.327) 9.205 16.229 ( -4.432 -7.708 -4.046) 9.768 16.474 ( -1.317 -10.377 1.510) 10.569 16.626 ( 10.184 -8.527 0.720) 13.302 16.855 ( -0.008 7.482 0.074) 7.482 17.113 ( 6.890 0.628 -0.781) 6.963 17.221 ( 4.256 -12.664 -2.599) 13.611 17.519 ( -0.486 -2.164 0.635) 2.307 17.786 ( 8.470 -6.486 0.277) 10.672 17.847 ( 2.845 -1.022 0.759) 3.117 18.337 ( -4.803 2.619 3.589) 6.542 18.567 ( 7.007 -0.741 3.852) 8.030 18.753 ( -5.734 7.082 -3.195) 9.656 18.989 ( 3.771 6.452 -3.456) 8.233 19.723 ( 6.751 0.230 1.224) 6.865 19.820 ( 6.506 -7.828 0.182) 10.180 20.307 ( -14.574 -10.349 2.337) 18.027 20.597 ( 7.432 7.094 -5.156) 11.496 20.865 ( 10.129 -19.160 0.771) 21.686 21.030 ( 11.591 -18.161 -1.407) 21.591 22.388 ( -2.941 -10.009 -8.516) 13.466 23.270 ( 7.147 -8.506 22.385) 24.991 24.320 ( -17.591 13.374 -15.058) 26.740 24.934 ( -6.434 14.053 1.288) 15.509 25.595 ( -5.983 11.221 -2.890) 13.040 25.873 ( 0.037 8.717 8.532) 12.198 26.177 ( -7.291 4.026 -9.432) 12.583 26.487 ( -1.686 5.283 4.557) 7.178 ======================= Grid point 169 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -6.799 8.209 -6.690) 12.584 0.959 ( -2.447 7.607 -5.061) 9.458 1.276 ( -6.474 18.923 -2.508) 20.156 1.342 ( -3.376 1.952 2.076) 4.417 1.458 ( -3.896 6.910 -2.975) 8.472 1.723 ( 2.020 -7.611 -0.559) 7.894 1.828 ( 1.028 -2.124 0.932) 2.537 1.935 ( -0.823 5.144 0.775) 5.266 1.981 ( -0.818 3.988 -0.723) 4.135 2.299 ( 0.318 -2.053 1.183) 2.391 2.600 ( 10.406 -8.763 -1.868) 13.732 2.699 ( 8.422 -7.319 1.297) 11.233 2.754 ( 1.714 -1.713 -0.085) 2.424 2.818 ( 3.604 -0.610 0.574) 3.700 2.908 ( -0.664 -0.710 -2.025) 2.246 3.053 ( -1.490 4.064 0.661) 4.378 3.111 ( 0.439 0.305 -0.517) 0.744 3.413 ( -0.941 2.173 4.154) 4.782 3.568 ( -5.327 3.266 -5.745) 8.488 3.726 ( -2.953 3.622 1.504) 4.909 3.839 ( 5.036 -1.519 -7.643) 9.278 3.926 ( -5.337 -2.872 9.084) 10.920 3.994 ( -3.107 1.356 10.124) 10.677 4.123 ( -2.365 8.417 -7.894) 11.780 4.559 ( 7.244 -6.409 -1.339) 9.765 4.888 ( 6.034 -8.050 4.397) 10.979 5.023 ( -3.342 -0.152 -4.110) 5.299 5.119 ( 6.702 -4.135 4.885) 9.267 5.331 ( -0.327 -7.558 -1.590) 7.731 5.440 ( 6.674 -6.399 0.368) 9.253 5.618 ( 0.109 2.039 -0.689) 2.155 5.735 ( -0.018 -1.474 1.888) 2.395 5.817 ( 2.927 -5.126 1.586) 6.112 5.924 ( -0.963 3.262 -0.023) 3.401 6.195 ( -3.920 3.743 -4.907) 7.311 6.341 ( 3.785 -5.484 -1.161) 6.764 6.461 ( -1.072 1.577 3.268) 3.783 6.509 ( -1.187 3.234 -3.983) 5.266 6.605 ( -2.554 1.560 -2.342) 3.800 6.903 ( -1.518 4.142 0.015) 4.411 7.181 ( 0.173 -4.793 6.970) 8.461 7.312 ( 3.831 -2.901 -4.339) 6.474 7.387 ( -2.147 1.686 2.754) 3.877 7.469 ( -4.923 -0.169 0.421) 4.944 7.634 ( -0.543 0.775 -0.710) 1.183 8.109 ( 0.053 -1.293 -3.350) 3.591 8.140 ( 5.328 -2.105 3.746) 6.845 8.236 ( -2.030 4.394 -3.587) 6.024 8.403 ( -7.767 7.257 0.545) 10.644 8.525 ( -1.238 0.371 1.914) 2.309 8.546 ( -3.372 4.934 -1.825) 6.249 8.653 ( -2.153 6.657 0.071) 6.997 8.913 ( -1.579 0.492 -0.299) 1.680 9.024 ( -1.389 2.580 -0.361) 2.953 9.302 ( -0.123 0.216 3.158) 3.168 9.370 ( 0.965 0.286 -1.231) 1.591 9.849 ( 1.158 0.619 -1.277) 1.832 10.227 ( 0.193 -5.448 4.238) 6.905 10.349 ( 0.661 3.842 -5.880) 7.055 10.395 ( -0.983 0.459 1.202) 1.619 10.713 ( 2.960 -3.102 -1.436) 4.522 10.922 ( 1.923 -0.557 1.119) 2.294 12.256 ( -0.710 -1.032 -0.863) 1.522 12.456 ( 0.594 -1.957 -0.734) 2.172 12.592 ( -0.103 2.196 2.328) 3.202 12.974 ( 0.400 -0.649 1.727) 1.888 13.074 ( 0.208 -2.432 -3.270) 4.080 13.292 ( -0.493 -0.769 0.928) 1.302 14.269 ( -3.944 3.962 1.545) 5.800 14.581 ( -1.532 1.166 0.093) 1.928 14.783 ( 1.187 2.713 -2.866) 4.121 15.497 ( 0.622 -1.830 1.617) 2.520 15.822 ( 0.406 -3.251 1.151) 3.473 15.948 ( 4.529 1.499 0.319) 4.781 16.078 ( -0.527 -3.366 0.442) 3.436 16.289 ( -2.190 -4.258 -4.027) 6.256 16.568 ( -4.754 -2.420 4.701) 7.110 16.665 ( 0.203 1.064 0.880) 1.395 16.768 ( 4.421 5.058 -4.853) 8.287 17.235 ( 5.464 -1.997 2.233) 6.232 17.465 ( -0.412 -3.970 0.856) 4.082 17.615 ( 5.769 -9.641 0.127) 11.236 17.876 ( -0.066 -0.325 -0.973) 1.028 17.990 ( 3.829 -2.958 -1.346) 5.023 18.263 ( -1.404 -2.783 2.766) 4.167 18.485 ( -5.159 11.888 -2.230) 13.150 18.678 ( 2.055 -1.873 0.968) 2.945 18.934 ( 1.564 2.050 -1.359) 2.914 19.752 ( 2.034 0.779 1.039) 2.413 19.952 ( 2.305 -1.962 -0.479) 3.065 20.321 ( -4.873 -3.606 2.106) 6.417 20.500 ( 1.135 5.226 -2.991) 6.128 21.334 ( 7.909 -13.948 0.679) 16.049 21.431 ( 5.879 -11.615 -0.856) 13.046 22.501 ( -0.194 -4.212 -1.024) 4.339 23.545 ( 6.844 -6.198 13.849) 16.645 23.902 ( -11.913 9.114 -11.635) 18.983 24.659 ( -3.853 7.489 -0.341) 8.429 25.348 ( -3.194 7.394 -1.013) 8.118 25.777 ( 0.158 3.420 2.470) 4.222 26.055 ( -3.024 1.390 -3.146) 4.580 26.417 ( -0.692 1.936 1.604) 2.608 ======================= Grid point 175 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.143 0.000 -0.544) 0.562 1.090 ( 10.944 0.000 -8.796) 14.041 1.111 ( 11.922 0.000 -16.103) 20.036 1.148 ( 5.546 0.000 -2.782) 6.205 1.315 ( 8.989 0.000 12.822) 15.659 1.557 ( 20.966 0.000 16.825) 26.882 1.660 ( 3.018 0.000 -22.495) 22.696 2.037 ( 8.499 0.000 5.143) 9.935 2.268 ( -1.794 -0.000 -3.501) 3.934 2.356 ( 0.379 0.000 -2.191) 2.224 2.361 ( 11.518 0.000 -19.129) 22.329 2.446 ( 5.978 0.000 -15.113) 16.253 2.468 ( 5.917 0.000 -5.926) 8.375 2.726 ( 7.380 0.000 15.564) 17.225 2.840 ( -5.145 -0.000 -7.700) 9.261 3.117 ( 0.691 0.000 6.454) 6.491 3.177 ( 3.902 0.000 2.076) 4.420 3.182 ( 0.337 0.000 -2.001) 2.029 3.383 ( 10.288 0.000 3.576) 10.892 3.435 ( -6.118 -0.000 -3.723) 7.161 3.795 ( 4.188 0.000 -2.035) 4.656 3.866 ( 13.121 0.000 38.356) 40.538 4.274 ( -2.601 -0.000 -3.133) 4.072 4.346 ( -5.323 -0.000 -1.154) 5.446 4.567 ( -22.474 -0.000 -11.346) 25.176 4.839 ( -4.577 -0.000 7.202) 8.533 4.926 ( -1.716 -0.000 3.745) 4.119 4.928 ( -8.155 -0.000 -0.841) 8.198 5.190 ( -1.548 -0.000 -1.313) 2.030 5.262 ( -2.246 -0.000 0.609) 2.327 5.357 ( 3.333 0.000 -8.524) 9.153 5.421 ( -3.196 -0.000 2.010) 3.776 5.773 ( 6.477 0.000 3.555) 7.388 5.940 ( 8.658 0.000 -4.190) 9.619 5.966 ( 3.228 0.000 8.313) 8.918 6.138 ( 10.173 0.000 1.815) 10.334 6.426 ( 4.842 0.000 4.060) 6.319 6.440 ( 3.578 0.000 0.961) 3.705 6.741 ( -3.893 -0.000 -1.062) 4.035 6.857 ( -1.026 -0.000 -4.846) 4.953 7.006 ( -6.020 -0.000 -18.721) 19.665 7.353 ( -2.206 -0.000 5.984) 6.378 7.512 ( -2.831 -0.000 7.351) 7.878 7.598 ( 0.208 0.000 -2.522) 2.531 7.653 ( -6.325 -0.000 -7.663) 9.936 8.046 ( 3.262 0.000 1.295) 3.510 8.391 ( 3.316 0.000 -0.769) 3.404 8.551 ( 8.806 0.000 2.611) 9.185 8.785 ( -8.711 -0.000 -2.711) 9.123 8.825 ( -9.659 -0.000 6.596) 11.696 8.938 ( -2.145 -0.000 4.034) 4.568 8.960 ( 0.711 0.000 -0.400) 0.815 9.363 ( -11.010 -0.000 -0.749) 11.036 9.500 ( -5.806 -0.000 6.034) 8.374 9.523 ( -9.296 -0.000 -1.756) 9.460 9.599 ( -2.781 -0.000 -3.044) 4.123 9.850 ( 6.097 0.000 -4.504) 7.580 9.896 ( 11.792 0.000 -1.074) 11.841 9.965 ( -5.538 -0.000 9.392) 10.903 10.160 ( 10.082 0.000 -0.715) 10.108 11.325 ( -9.253 -0.000 6.568) 11.347 11.463 ( -4.612 -0.000 -3.863) 6.016 12.134 ( -15.486 -0.000 -10.302) 18.599 12.383 ( -1.583 -0.000 -4.679) 4.940 12.589 ( 0.746 0.000 2.931) 3.025 12.654 ( 1.920 0.000 -0.835) 2.093 13.086 ( -4.393 -0.000 -0.405) 4.412 13.156 ( 0.150 0.000 1.009) 1.020 14.711 ( -12.011 -0.000 -4.699) 12.897 14.868 ( 5.646 0.000 4.704) 7.349 14.967 ( 13.441 0.000 -0.738) 13.461 15.079 ( 2.180 0.000 8.492) 8.767 15.336 ( 4.759 0.000 2.479) 5.366 15.372 ( 11.683 0.000 -12.314) 16.974 15.498 ( 2.193 0.000 11.562) 11.768 15.810 ( 10.692 0.000 7.407) 13.007 16.093 ( 5.204 0.000 0.669) 5.247 16.134 ( 8.260 0.000 -2.069) 8.515 16.860 ( -7.550 -0.000 -17.262) 18.840 17.306 ( 1.752 0.000 6.562) 6.792 17.384 ( -2.429 -0.000 8.920) 9.245 17.393 ( -2.080 -0.000 -6.794) 7.105 17.635 ( 5.748 0.000 1.740) 6.006 17.771 ( 7.545 0.000 -0.999) 7.611 18.681 ( 2.214 0.000 7.559) 7.876 18.721 ( -11.921 -0.000 2.997) 12.292 18.777 ( 5.905 0.000 -3.631) 6.932 19.070 ( 6.782 0.000 0.377) 6.793 19.140 ( 8.493 0.000 2.342) 8.810 19.369 ( 12.893 0.000 1.294) 12.957 20.174 ( -6.639 -0.000 -12.307) 13.984 20.489 ( 1.629 0.000 -1.315) 2.094 20.645 ( 3.027 0.000 -0.606) 3.087 20.699 ( 6.050 0.000 1.322) 6.193 22.310 ( -27.708 -0.000 -27.824) 39.267 23.136 ( -0.870 -0.000 11.284) 11.317 24.883 ( -14.507 -0.000 -13.012) 19.488 25.239 ( -2.611 -0.000 8.813) 9.192 25.937 ( -8.120 -0.000 -1.276) 8.219 26.152 ( -0.642 -0.000 8.745) 8.768 26.619 ( -9.076 -0.000 -8.532) 12.457 26.707 ( -3.088 -0.000 8.143) 8.709 ======================= Grid point 176 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.041 -4.371 -14.492) 15.439 1.131 ( 5.460 5.528 -14.321) 16.293 1.199 ( 3.783 -4.425 -0.559) 5.849 1.235 ( 8.074 -7.162 -2.607) 11.103 1.411 ( 8.934 -0.429 11.586) 14.637 1.703 ( 6.623 5.792 5.671) 10.467 1.911 ( 10.028 -6.946 1.161) 12.254 2.145 ( 7.279 2.692 1.192) 7.852 2.218 ( 10.432 7.080 -17.644) 21.686 2.297 ( 2.309 4.190 -2.517) 5.405 2.426 ( 8.299 -6.563 1.993) 10.767 2.541 ( 7.948 -4.054 6.104) 10.811 2.683 ( 11.522 -9.250 -14.007) 20.360 2.776 ( 0.712 0.140 -0.210) 0.756 2.898 ( 3.142 -4.328 -5.367) 7.577 3.127 ( -2.228 -1.056 -0.443) 2.505 3.204 ( 1.788 -2.046 -6.918) 7.432 3.337 ( 10.662 -5.245 18.635) 22.101 3.363 ( 2.137 -2.080 -13.754) 14.074 3.537 ( 5.208 -2.123 7.037) 9.009 3.804 ( 0.886 1.435 0.554) 1.775 3.989 ( 5.988 7.376 19.514) 21.704 4.189 ( -7.608 6.586 0.365) 10.069 4.282 ( -9.497 3.018 -0.796) 9.997 4.411 ( 3.489 -11.062 -0.374) 11.606 4.653 ( -16.570 6.170 -1.210) 17.723 4.881 ( -6.796 3.486 0.141) 7.639 4.935 ( 3.801 3.126 8.740) 10.030 5.153 ( -0.891 1.449 3.556) 3.942 5.255 ( 3.400 -1.363 -0.488) 3.696 5.362 ( 5.240 -1.142 -7.155) 8.942 5.426 ( 9.599 1.060 1.598) 9.789 5.849 ( -1.429 1.644 6.640) 6.988 5.923 ( 3.806 -0.315 1.623) 4.149 6.125 ( 7.930 -3.819 2.455) 9.137 6.297 ( 9.504 -4.838 0.985) 10.710 6.491 ( 4.272 -0.282 -0.660) 4.332 6.512 ( 1.786 -1.449 -0.086) 2.302 6.696 ( -3.591 0.069 -1.916) 4.071 6.821 ( -3.286 -3.499 -12.230) 13.138 6.940 ( -4.200 -3.102 -6.976) 8.714 7.318 ( -5.955 0.360 2.010) 6.295 7.453 ( -5.105 3.585 5.179) 8.108 7.559 ( -1.900 1.909 0.584) 2.756 7.591 ( -3.831 -1.145 -6.491) 7.624 8.155 ( -1.558 -6.300 -0.843) 6.544 8.347 ( -2.925 4.492 -0.616) 5.395 8.567 ( -1.030 3.860 -0.094) 3.996 8.673 ( -10.560 0.250 -0.677) 10.585 8.702 ( -9.296 0.031 4.820) 10.472 8.948 ( -3.443 1.369 2.279) 4.350 9.017 ( -1.820 -1.399 1.419) 2.699 9.171 ( -11.635 5.215 3.219) 13.150 9.297 ( -4.341 9.625 -3.449) 11.108 9.460 ( -4.738 1.487 4.163) 6.480 9.543 ( -5.139 3.094 -3.109) 6.756 9.834 ( 2.565 0.112 4.466) 5.152 9.970 ( 12.383 4.995 -0.544) 13.364 10.117 ( 1.335 -11.840 1.241) 11.979 10.294 ( 10.242 -2.375 0.404) 10.521 11.011 ( -9.282 18.609 -4.963) 21.380 11.251 ( -4.866 11.202 -1.381) 12.291 12.069 ( -7.648 -7.622 -10.521) 15.076 12.407 ( -2.738 -3.270 2.523) 4.955 12.621 ( 2.510 -0.703 0.483) 2.651 12.733 ( 1.272 -5.816 -0.722) 5.998 13.021 ( -1.868 1.786 -0.127) 2.588 13.162 ( 1.147 -0.354 0.998) 1.562 14.603 ( -11.153 -1.065 -1.042) 11.252 14.938 ( -7.584 10.122 15.844) 20.273 15.011 ( 2.654 -4.906 3.758) 6.726 15.163 ( 8.528 -0.261 -3.181) 9.106 15.358 ( 6.437 -4.475 -3.767) 8.698 15.582 ( 7.332 -13.581 -4.654) 16.120 15.818 ( 11.831 -13.907 -2.206) 18.391 15.986 ( 9.122 -6.920 6.658) 13.245 16.175 ( 9.066 -0.065 -0.979) 9.119 16.230 ( 14.892 -0.688 1.451) 14.979 16.779 ( -0.706 -3.480 -16.972) 17.339 17.234 ( -5.557 6.921 5.889) 10.652 17.321 ( 3.265 4.167 -1.942) 5.638 17.436 ( -1.222 -2.739 3.119) 4.327 17.708 ( 6.330 -0.342 0.967) 6.412 17.837 ( 5.705 0.276 -1.441) 5.890 18.483 ( -6.594 6.988 -0.709) 9.634 18.705 ( 7.246 6.304 8.818) 13.038 18.844 ( -1.383 -1.769 -2.850) 3.628 19.213 ( 9.851 1.415 3.035) 10.404 19.329 ( 7.156 -13.947 2.055) 15.809 19.502 ( 4.207 -7.156 -2.216) 8.592 20.042 ( -0.861 6.704 -9.815) 11.917 20.560 ( 4.432 -2.511 -2.302) 5.590 20.681 ( 4.811 -2.146 0.143) 5.270 20.825 ( 12.136 -3.349 1.400) 12.667 22.038 ( -12.387 -5.501 -23.773) 27.365 23.150 ( 1.301 1.319 20.163) 20.248 24.636 ( -19.173 3.924 -14.905) 24.600 25.215 ( -7.104 1.082 3.906) 8.179 25.819 ( -10.210 2.291 0.119) 10.465 26.132 ( -2.439 2.833 9.284) 10.008 26.401 ( -11.561 7.558 -10.165) 17.150 26.672 ( -2.987 3.185 5.834) 7.288 ======================= Grid point 177 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.243 2.875 -6.804) 7.719 1.185 ( -2.345 -9.357 -0.749) 9.675 1.341 ( 2.079 -5.375 0.707) 5.807 1.471 ( 3.737 -11.594 -4.737) 13.070 1.558 ( 6.134 6.345 -11.575) 14.555 1.637 ( 1.437 -2.818 13.852) 14.209 1.887 ( 5.371 8.107 -6.025) 11.440 2.112 ( 0.088 5.729 0.591) 5.760 2.206 ( -1.706 5.379 2.386) 6.126 2.282 ( 6.316 -0.131 3.404) 7.176 2.542 ( 2.430 2.587 0.670) 3.612 2.608 ( 1.689 8.438 1.944) 8.822 2.748 ( 0.633 -0.444 -1.388) 1.589 2.816 ( -0.117 2.349 -1.572) 2.829 2.915 ( 0.616 1.134 -4.888) 5.055 3.117 ( -2.374 -0.781 -1.278) 2.807 3.173 ( -2.979 2.200 -4.367) 5.726 3.394 ( 1.301 -0.421 -10.588) 10.676 3.506 ( 1.133 -2.323 -4.604) 5.280 3.689 ( 3.375 -5.926 14.052) 15.620 3.865 ( 5.230 -2.381 3.301) 6.627 3.910 ( 6.204 5.726 1.738) 8.620 4.224 ( -13.922 4.513 -4.294) 15.252 4.313 ( 7.928 -0.147 -1.025) 7.995 4.327 ( 10.248 -13.662 4.515) 17.665 4.613 ( -5.544 10.410 6.597) 13.514 4.763 ( 7.185 -10.452 4.765) 13.549 5.013 ( 9.735 -3.003 2.504) 10.491 5.136 ( 2.912 2.115 2.578) 4.427 5.374 ( 9.025 -0.876 1.758) 9.237 5.492 ( 5.226 -9.248 -2.906) 11.013 5.606 ( 15.088 -3.420 0.812) 15.492 5.762 ( -0.739 3.943 3.739) 5.484 6.006 ( 2.250 -0.135 6.289) 6.681 6.239 ( 6.021 -1.049 0.298) 6.119 6.401 ( -6.542 5.208 -11.233) 14.004 6.467 ( 5.924 -2.924 0.934) 6.672 6.538 ( -0.973 -1.306 -3.674) 4.018 6.643 ( -4.068 0.724 -0.508) 4.163 6.882 ( 0.000 -4.311 -0.242) 4.318 7.021 ( 2.724 -10.021 -4.528) 11.329 7.215 ( -8.803 4.068 4.188) 10.563 7.368 ( -8.028 -2.053 -0.932) 8.338 7.497 ( -1.089 2.684 0.124) 2.900 7.577 ( -2.984 -1.895 -2.365) 4.254 8.121 ( -9.632 1.871 -0.891) 9.852 8.205 ( -6.690 4.357 -0.375) 7.992 8.456 ( -2.111 4.685 -0.699) 5.186 8.582 ( -5.558 1.739 0.767) 5.874 8.630 ( -10.177 1.133 0.403) 10.248 8.802 ( -7.100 7.125 -0.750) 10.086 8.898 ( -6.182 2.792 -0.686) 6.818 8.982 ( -10.845 6.545 4.708) 13.514 9.140 ( -5.368 3.768 -2.633) 7.067 9.377 ( -4.068 3.714 10.151) 11.549 9.437 ( 0.015 3.261 -6.894) 7.626 9.962 ( 3.024 -5.796 6.491) 9.213 9.993 ( 12.298 4.904 -1.631) 13.340 10.295 ( -0.908 -6.315 -0.248) 6.384 10.462 ( 7.790 -4.349 -4.217) 9.868 10.652 ( -1.187 9.812 -5.769) 11.444 11.045 ( -0.072 8.051 1.340) 8.162 12.123 ( -2.512 -6.354 -5.987) 9.084 12.427 ( -0.440 -0.421 4.045) 4.091 12.654 ( 1.437 0.141 0.930) 1.718 12.841 ( -0.727 -6.099 -3.389) 7.015 13.012 ( 2.150 -0.072 2.067) 2.983 13.204 ( 0.903 -2.820 -0.170) 2.966 14.481 ( -10.014 3.282 2.727) 10.885 14.717 ( -5.850 8.933 14.004) 17.611 14.997 ( -0.887 6.550 -7.129) 9.722 15.241 ( -1.464 -8.172 -1.431) 8.425 15.592 ( 9.156 -8.439 0.943) 12.488 15.845 ( 3.837 -7.739 -3.389) 9.279 15.998 ( 2.138 -5.767 -5.130) 8.009 16.239 ( 7.941 -0.129 -2.818) 8.427 16.247 ( 3.750 -6.831 2.259) 8.113 16.583 ( 19.441 -11.634 3.342) 22.902 16.920 ( 9.971 -7.825 -9.443) 15.806 17.077 ( -1.325 3.450 2.946) 4.727 17.268 ( 4.534 4.464 -2.173) 6.723 17.474 ( -1.725 -2.088 2.046) 3.395 17.800 ( 7.905 -2.305 0.559) 8.254 17.868 ( 2.155 0.232 -1.206) 2.480 18.349 ( -4.712 3.054 2.135) 6.007 18.706 ( 7.330 4.142 3.109) 8.975 18.791 ( -2.716 4.411 -0.214) 5.185 19.179 ( 5.821 8.911 -2.875) 11.025 19.680 ( 3.133 -12.711 2.010) 13.245 19.742 ( 1.008 -15.086 -1.254) 15.172 19.913 ( -6.578 -0.161 -0.578) 6.605 20.555 ( -6.029 0.327 -2.310) 6.465 20.922 ( 23.302 -7.901 -2.224) 24.706 21.071 ( 23.648 -3.988 2.706) 24.134 22.121 ( 0.081 -14.488 -10.941) 18.156 23.280 ( 5.322 -4.652 24.074) 25.090 24.261 ( -21.410 8.577 -16.670) 28.457 25.035 ( -11.962 8.409 -1.191) 14.670 25.646 ( -10.712 4.750 -0.333) 11.723 26.074 ( 0.050 8.282 13.004) 15.417 26.100 ( -13.329 3.990 -13.015) 19.052 26.570 ( -3.353 5.496 3.212) 7.195 ======================= Grid point 178 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 6.944 6.671 15.765) 18.473 1.189 ( -1.018 18.421 -12.362) 22.208 1.266 ( -8.033 -1.264 3.499) 8.852 1.527 ( -5.594 10.841 0.870) 12.230 1.551 ( -0.751 4.549 -2.822) 5.405 1.621 ( 3.397 -4.445 0.024) 5.595 1.839 ( 0.179 3.695 1.142) 3.872 2.023 ( -1.857 4.060 -0.816) 4.538 2.051 ( -1.131 6.411 2.026) 6.818 2.281 ( -1.012 -1.959 4.397) 4.919 2.504 ( -2.462 -5.070 -1.229) 5.768 2.562 ( -2.195 -6.025 0.996) 6.490 2.740 ( -1.812 0.474 0.632) 1.976 2.824 ( 2.434 -1.071 2.592) 3.714 2.872 ( -2.375 0.819 -4.565) 5.210 3.071 ( -4.999 2.069 -1.652) 5.657 3.108 ( -0.957 0.208 -1.892) 2.130 3.373 ( -5.214 -0.288 -8.766) 10.203 3.465 ( -10.454 -1.675 -5.287) 11.834 3.767 ( -9.915 5.145 -2.985) 11.562 3.843 ( -0.609 -1.975 13.983) 14.135 3.932 ( 9.586 3.801 -6.454) 12.165 4.032 ( 4.631 0.850 7.342) 8.722 4.267 ( -3.153 11.036 0.037) 11.477 4.629 ( 20.846 -4.967 -2.091) 21.532 4.871 ( 19.341 -10.832 5.027) 22.730 4.997 ( 4.747 -5.106 1.382) 7.108 5.118 ( 0.128 0.877 4.384) 4.473 5.270 ( 14.000 -8.005 -0.834) 16.149 5.493 ( 10.861 -1.302 2.970) 11.335 5.658 ( -1.311 -3.885 -0.612) 4.145 5.763 ( 7.457 1.160 -1.477) 7.690 5.790 ( 9.367 -1.201 1.583) 9.575 6.000 ( 1.005 4.328 5.316) 6.928 6.204 ( -4.572 4.038 -5.776) 8.401 6.319 ( 5.847 -1.853 -0.191) 6.136 6.447 ( -4.904 1.011 -5.447) 7.399 6.539 ( -0.007 0.952 -4.510) 4.610 6.621 ( -0.210 0.759 4.911) 4.974 6.941 ( -3.186 2.104 -0.157) 3.821 7.082 ( -5.254 -3.733 11.804) 13.449 7.257 ( 7.038 -8.435 -4.800) 11.989 7.340 ( -8.833 -5.145 -3.968) 10.965 7.443 ( -1.837 1.898 -0.655) 2.721 7.558 ( -3.033 -0.083 -2.471) 3.913 7.995 ( -10.208 -1.173 -0.620) 10.294 8.120 ( -2.268 -1.937 0.533) 3.030 8.342 ( -9.164 2.171 1.448) 9.528 8.410 ( -5.829 7.352 -0.384) 9.390 8.542 ( -2.225 2.488 0.398) 3.361 8.616 ( 0.003 6.380 -2.594) 6.887 8.730 ( -9.105 8.701 1.491) 12.682 8.867 ( -4.195 -2.939 -0.805) 5.185 9.023 ( -5.927 1.853 -0.454) 6.226 9.313 ( -3.036 1.794 3.795) 5.180 9.386 ( -0.159 1.351 -0.471) 1.439 9.969 ( 7.189 6.358 1.448) 9.706 10.140 ( 2.535 -5.846 3.545) 7.291 10.344 ( -1.506 -2.141 -3.024) 4.000 10.420 ( -0.266 4.080 -7.381) 8.437 10.702 ( 5.861 -3.443 1.423) 6.944 10.966 ( 1.239 2.864 1.136) 3.320 12.194 ( 0.289 -4.055 -3.066) 5.091 12.460 ( 2.048 -1.573 2.176) 3.377 12.635 ( -0.856 3.002 2.440) 3.962 12.917 ( 0.062 -4.220 -5.292) 6.769 13.063 ( 3.439 -1.164 3.216) 4.850 13.265 ( 0.635 -2.660 -0.201) 2.742 14.317 ( -5.794 5.343 4.596) 9.124 14.600 ( -3.900 2.910 8.583) 9.867 14.844 ( -1.190 5.634 -6.608) 8.764 15.342 ( -7.538 -8.186 -2.737) 11.460 15.799 ( 7.525 -4.119 1.797) 8.765 15.905 ( 0.551 -0.541 -4.536) 4.601 16.154 ( 3.830 -8.268 -7.033) 11.510 16.298 ( 14.860 6.084 3.432) 16.420 16.376 ( -7.176 -9.268 3.669) 12.282 16.767 ( 2.860 5.040 -0.217) 5.799 16.919 ( 5.324 5.219 -2.031) 7.727 17.270 ( 3.128 0.658 -2.170) 3.863 17.371 ( 12.494 -12.873 2.077) 18.060 17.518 ( 2.810 -5.313 -0.304) 6.018 17.866 ( -1.310 -0.126 -1.345) 1.882 17.968 ( 8.473 -5.896 -1.945) 10.504 18.249 ( -4.729 3.336 4.026) 7.050 18.588 ( -8.189 7.754 -3.678) 11.863 18.761 ( 9.443 4.108 1.776) 10.450 19.066 ( 5.192 8.511 -1.397) 10.067 19.772 ( -2.853 0.652 -0.232) 2.936 19.902 ( 0.058 -4.594 0.873) 4.677 20.013 ( -11.633 -16.922 1.948) 20.627 20.430 ( -14.012 0.605 -1.859) 14.148 21.388 ( 32.404 -8.932 -0.910) 33.625 21.467 ( 27.125 -6.866 1.526) 28.022 22.387 ( 5.413 -11.419 -2.127) 12.815 23.530 ( 5.302 -6.941 21.915) 23.591 23.837 ( -19.245 6.865 -15.907) 25.894 24.709 ( -13.510 9.649 -4.671) 17.246 25.435 ( -8.091 6.931 -1.096) 10.710 25.818 ( -9.314 5.974 -5.703) 12.449 26.051 ( -0.894 1.266 7.595) 7.752 26.451 ( -3.057 3.934 0.284) 4.990 ======================= Grid point 179 (80/95) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 3.160 3.763 3.538) 6.055 1.029 ( -7.114 -3.866 8.139) 11.480 1.086 ( 8.780 8.516 2.535) 12.491 1.353 ( -1.333 1.870 7.418) 7.765 1.493 ( 8.105 1.966 3.746) 9.143 1.782 ( 3.728 -4.468 0.128) 5.820 1.844 ( -0.643 -0.144 1.395) 1.542 1.899 ( -2.509 3.651 0.745) 4.493 1.957 ( -1.259 2.797 -0.226) 3.076 2.331 ( -2.892 -0.493 1.286) 3.203 2.533 ( -19.002 -2.514 -1.488) 19.225 2.583 ( -22.672 -1.673 -0.370) 22.737 2.735 ( 0.035 -0.705 -0.583) 0.915 2.761 ( 1.279 0.722 -0.218) 1.485 2.913 ( 1.647 -2.554 2.716) 4.076 2.998 ( -2.341 0.425 -1.124) 2.631 3.096 ( -1.175 -0.330 -0.338) 1.266 3.300 ( -5.042 -4.956 -6.432) 9.558 3.435 ( -5.409 -8.770 -3.695) 10.946 3.631 ( -5.684 -4.385 -10.567) 12.775 3.880 ( -0.953 2.447 13.956) 14.201 3.994 ( 10.785 0.789 -11.732) 15.955 4.084 ( 5.130 9.554 -6.331) 12.557 4.127 ( 5.656 -0.347 17.878) 18.755 4.728 ( 5.351 9.418 0.259) 10.835 4.993 ( -2.772 7.678 -4.587) 9.364 5.097 ( -3.030 1.525 -0.076) 3.393 5.134 ( 13.299 0.325 6.375) 14.751 5.506 ( 10.924 3.736 -0.227) 11.547 5.604 ( 5.816 9.299 2.075) 11.163 5.642 ( 5.850 -1.075 -0.668) 5.985 5.761 ( 4.994 -1.225 -1.742) 5.429 5.883 ( 0.427 3.658 2.190) 4.285 5.904 ( 0.438 2.249 -3.630) 4.292 6.193 ( 4.469 -1.961 2.661) 5.559 6.406 ( -2.099 2.010 -0.616) 2.970 6.412 ( 1.891 -2.240 -2.683) 3.974 6.492 ( 0.235 -0.147 2.883) 2.896 6.620 ( -0.398 -0.165 5.291) 5.308 6.844 ( -1.943 -1.607 0.717) 2.622 7.184 ( -2.934 -1.687 1.012) 3.533 7.263 ( -9.894 -0.323 1.164) 9.968 7.400 ( 6.236 -2.886 -9.385) 11.632 7.482 ( -4.113 -7.411 -3.702) 9.249 7.556 ( 6.852 0.122 1.991) 7.136 7.959 ( -10.385 -5.496 3.385) 12.228 8.125 ( -4.626 1.008 -1.852) 5.084 8.226 ( -7.643 -1.932 1.480) 8.021 8.378 ( 5.623 -5.202 2.731) 8.133 8.488 ( -0.548 0.662 -0.456) 0.973 8.555 ( -3.186 1.216 -1.402) 3.687 8.590 ( 4.707 0.439 0.070) 4.728 8.892 ( -0.663 -2.869 -0.329) 2.963 8.969 ( -3.850 -2.023 -0.258) 4.357 9.277 ( -2.142 -0.538 -1.383) 2.605 9.360 ( -2.559 0.743 1.804) 3.218 9.933 ( 5.620 5.502 3.709) 8.695 10.250 ( 0.254 -3.514 2.377) 4.250 10.324 ( 0.186 3.031 -6.907) 7.546 10.363 ( -2.153 -1.968 -0.518) 2.963 10.763 ( 1.483 2.024 2.682) 3.673 10.932 ( -1.050 2.208 -0.656) 2.531 12.249 ( 1.101 -1.816 -1.056) 2.372 12.530 ( 0.088 -3.179 -2.002) 3.758 12.553 ( 1.316 5.596 4.212) 7.127 12.949 ( -0.563 -0.989 -5.566) 5.681 13.124 ( 2.861 -0.106 4.358) 5.214 13.301 ( 0.684 -0.598 -0.164) 0.923 14.256 ( 1.720 -0.836 2.154) 2.880 14.576 ( -1.170 -1.092 5.618) 5.842 14.751 ( -2.358 1.496 -0.597) 2.856 15.354 ( -11.516 -6.280 -8.316) 15.531 15.881 ( 2.090 2.439 -0.696) 3.287 15.904 ( 3.948 1.010 -0.419) 4.097 16.257 ( 2.725 1.320 -0.171) 3.033 16.376 ( 14.117 1.033 -0.551) 14.165 16.483 ( -5.447 -8.961 4.877) 11.565 16.673 ( 1.877 5.869 0.371) 6.173 16.846 ( 3.275 6.985 -2.073) 7.989 17.220 ( -4.487 3.195 -3.883) 6.739 17.521 ( 4.126 -0.094 0.754) 4.195 17.676 ( -1.662 1.701 -3.015) 3.840 17.892 ( 2.594 -1.794 2.740) 4.178 18.029 ( 1.419 3.406 0.538) 3.729 18.293 ( -0.624 -5.545 0.761) 5.632 18.361 ( -2.131 1.891 -1.931) 3.442 18.759 ( 5.732 5.374 -2.740) 8.321 18.977 ( 1.729 5.901 3.134) 6.901 19.708 ( -5.131 0.713 -1.951) 5.536 19.934 ( -4.361 -0.629 1.994) 4.836 20.195 ( -5.934 -12.775 -0.365) 14.090 20.291 ( -15.184 -4.853 1.224) 15.987 21.668 ( 18.812 12.672 0.020) 22.682 21.740 ( 20.296 9.138 0.080) 22.258 22.558 ( 5.572 -1.450 1.525) 5.956 23.487 ( -12.925 2.281 -8.982) 15.904 23.844 ( 5.627 -10.339 12.431) 17.120 24.512 ( -7.900 -4.610 -5.859) 10.863 25.299 ( -0.968 0.080 0.185) 0.988 25.677 ( -7.715 -1.966 -4.703) 9.247 26.075 ( 2.369 -0.864 8.099) 8.482 26.384 ( -2.026 -0.017 -2.720) 3.391 ======================= Grid point 180 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 5.209 -11.915 8.428) 15.496 1.154 ( 6.895 -2.353 7.700) 10.600 1.272 ( 1.796 -16.108 3.396) 16.559 1.497 ( 3.415 -10.100 6.276) 12.372 1.609 ( 5.678 3.214 7.609) 10.023 1.726 ( 3.233 2.714 2.273) 4.794 1.829 ( 1.266 -6.982 0.130) 7.097 1.954 ( 2.636 -3.025 -0.235) 4.019 1.994 ( -0.130 -4.376 1.994) 4.811 2.102 ( -26.226 8.778 -0.285) 27.657 2.232 ( -24.626 3.467 -1.473) 24.912 2.364 ( -4.621 1.607 -5.138) 7.094 2.752 ( 1.468 -0.741 -0.909) 1.879 2.818 ( 4.435 -0.675 3.227) 5.526 2.951 ( 0.113 1.153 2.632) 2.876 2.986 ( -4.110 -3.435 -1.564) 5.580 3.100 ( -0.694 -1.152 0.999) 1.675 3.312 ( -4.167 -1.088 -10.708) 11.542 3.641 ( -1.258 -9.855 4.938) 11.094 3.718 ( -1.341 -9.480 -6.550) 11.601 3.894 ( 0.943 -4.908 11.670) 12.695 3.943 ( 6.889 7.722 -14.667) 17.951 4.054 ( 4.000 -0.778 -2.385) 4.722 4.257 ( 4.775 -2.276 7.269) 8.990 4.499 ( -0.514 16.143 -0.180) 16.152 4.638 ( -15.390 14.678 -6.276) 22.174 5.015 ( 1.258 9.495 0.681) 9.602 5.179 ( -0.938 6.275 5.255) 8.238 5.336 ( 9.107 11.908 2.893) 15.267 5.514 ( 0.483 8.528 -0.097) 8.542 5.603 ( 2.177 11.458 0.284) 11.666 5.747 ( 2.190 8.834 -2.120) 9.345 5.835 ( 9.530 3.198 -3.627) 10.687 5.926 ( 0.626 -1.668 -0.257) 1.800 6.230 ( -4.670 2.700 1.172) 5.520 6.387 ( -1.667 0.554 3.767) 4.156 6.427 ( 3.762 -3.624 -2.518) 5.798 6.546 ( -0.913 -2.912 5.802) 6.556 6.694 ( 3.138 -4.123 5.265) 7.387 6.917 ( -1.186 -2.563 2.043) 3.486 7.123 ( -0.659 0.436 -5.845) 5.898 7.224 ( -6.011 -2.902 -2.315) 7.065 7.452 ( 5.948 -1.286 -9.941) 11.656 7.529 ( 0.200 0.775 1.901) 2.063 7.645 ( 3.347 -3.459 0.653) 4.858 7.924 ( -9.999 -1.505 5.249) 11.393 8.165 ( 0.430 -8.371 1.564) 8.527 8.277 ( -0.865 -7.177 -0.126) 7.230 8.525 ( 4.564 -4.524 1.192) 6.536 8.571 ( -0.903 -9.791 -1.050) 9.888 8.630 ( 6.848 -5.452 -0.516) 8.769 8.707 ( 4.682 -8.195 1.087) 9.500 8.966 ( 2.399 -3.798 0.897) 4.582 8.995 ( -4.590 -5.307 0.316) 7.023 9.263 ( -0.459 0.559 -6.678) 6.717 9.336 ( -3.525 -2.768 2.922) 5.350 9.907 ( 4.189 5.280 6.092) 9.085 10.176 ( -2.068 6.789 -6.651) 9.726 10.370 ( -0.012 -6.477 3.146) 7.201 10.396 ( 0.136 -2.748 -1.464) 3.116 10.680 ( -1.409 8.044 5.830) 10.034 10.844 ( -3.970 3.794 -3.441) 6.480 12.278 ( 1.539 -0.403 0.179) 1.601 12.437 ( -4.388 3.181 0.702) 5.465 12.627 ( 6.576 -1.409 -0.243) 6.730 12.908 ( -3.245 0.983 -4.876) 5.938 13.144 ( 2.927 2.835 6.375) 7.566 13.297 ( 0.095 1.405 -2.288) 2.686 14.396 ( 8.870 -7.753 -1.895) 11.932 14.657 ( 3.393 -4.497 7.606) 9.465 14.733 ( -4.346 -2.698 3.852) 6.403 15.293 ( -13.871 -5.321 -11.453) 18.759 15.820 ( 0.927 5.419 -0.888) 5.569 15.867 ( 1.188 6.374 -0.638) 6.516 16.205 ( 5.012 8.754 6.574) 12.040 16.475 ( 12.238 5.950 -2.225) 13.788 16.568 ( -4.376 1.172 -5.479) 7.109 16.620 ( 0.509 -2.164 -2.634) 3.447 16.771 ( -0.547 0.830 8.284) 8.343 17.059 ( -7.639 5.057 -3.455) 9.791 17.450 ( -0.003 12.262 -2.547) 12.523 17.562 ( -1.415 2.973 2.323) 4.030 17.846 ( -3.768 5.138 1.141) 6.473 17.872 ( -4.946 8.916 -1.748) 10.345 18.340 ( 5.803 -2.708 -2.768) 6.977 18.512 ( -2.933 -4.454 0.945) 5.416 18.721 ( 6.695 0.061 -2.613) 7.187 18.918 ( -2.572 0.898 5.098) 5.781 19.649 ( -4.150 -0.446 -3.806) 5.649 19.829 ( -10.378 3.406 2.319) 11.166 20.310 ( -4.949 -8.651 0.904) 10.007 20.355 ( -6.564 -10.164 1.450) 12.186 21.355 ( 7.208 32.314 -0.875) 33.120 21.490 ( 5.051 29.710 1.186) 30.159 22.604 ( 8.631 5.317 5.363) 11.468 23.262 ( -11.942 6.372 -13.708) 19.264 24.231 ( 11.711 -17.650 12.332) 24.511 24.661 ( -2.230 -17.197 -5.637) 18.234 25.439 ( 4.772 -11.289 1.775) 12.384 25.691 ( -4.650 -7.743 -4.371) 10.034 26.183 ( 4.283 -4.315 9.065) 10.915 26.393 ( -0.976 -3.883 -5.567) 6.857 ======================= Grid point 181 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -1.369 0.226 -2.434) 2.802 1.306 ( 4.133 -2.686 4.199) 6.476 1.342 ( -10.569 -4.665 12.037) 16.684 1.463 ( -4.238 6.799 -1.754) 8.201 1.584 ( -1.356 5.252 5.695) 7.865 1.639 ( -13.003 10.255 0.679) 16.574 1.732 ( 2.209 3.205 9.561) 10.322 1.964 ( -4.419 1.553 -5.991) 7.605 2.104 ( 4.508 -1.408 5.304) 7.102 2.154 ( 2.089 -10.129 -0.023) 10.342 2.253 ( 1.375 -13.859 -0.299) 13.930 2.344 ( -3.670 -7.872 -7.300) 11.345 2.791 ( 3.615 -0.721 -0.163) 3.690 2.880 ( 3.490 2.145 6.884) 8.010 2.925 ( -3.339 -2.113 -0.851) 4.042 3.005 ( -2.469 -2.058 -0.582) 3.267 3.134 ( 0.367 -2.300 2.419) 3.358 3.215 ( -4.260 1.364 -8.401) 9.518 3.620 ( -1.528 7.941 20.603) 22.134 3.727 ( 2.499 5.276 -24.824) 25.501 3.885 ( 8.326 7.835 -3.262) 11.889 4.012 ( -0.573 10.287 4.566) 11.269 4.121 ( -2.844 1.001 -0.896) 3.146 4.219 ( -10.496 8.424 -3.834) 13.994 4.310 ( 3.313 -14.005 -1.091) 14.433 4.416 ( -5.930 -10.789 -1.125) 12.363 4.900 ( 4.141 1.782 8.057) 9.232 5.049 ( -5.863 0.887 -3.182) 6.729 5.297 ( 13.312 9.774 3.371) 16.856 5.358 ( 1.910 9.509 1.289) 9.784 5.389 ( -0.999 11.193 -2.903) 11.606 5.548 ( -2.603 12.396 2.482) 12.907 5.868 ( 8.065 1.580 -0.252) 8.222 5.954 ( -0.574 -1.122 -2.217) 2.551 6.122 ( -1.755 5.355 -1.317) 5.787 6.230 ( -9.668 6.316 -1.122) 11.603 6.565 ( 2.092 -1.451 -1.559) 2.985 6.582 ( -0.531 -0.371 7.279) 7.308 6.800 ( 5.363 -0.807 -0.537) 5.450 6.896 ( -4.352 0.719 4.065) 5.998 7.130 ( 1.115 -0.778 5.475) 5.641 7.219 ( -2.141 -3.163 -10.959) 11.606 7.493 ( 3.758 0.603 -6.077) 7.170 7.514 ( 0.204 1.828 3.042) 3.555 7.770 ( 5.145 -5.621 1.382) 7.745 7.919 ( -8.791 -7.442 2.010) 11.692 8.341 ( 5.195 -6.119 5.140) 9.531 8.414 ( 1.590 -6.279 -2.861) 7.081 8.681 ( 3.538 -6.214 1.356) 7.278 8.717 ( -0.371 -6.472 -2.744) 7.040 8.862 ( 5.629 -11.753 1.504) 13.118 8.920 ( 1.408 -11.141 -0.739) 11.254 9.028 ( -2.998 -4.964 2.582) 6.347 9.061 ( -2.882 -4.700 -2.985) 6.269 9.277 ( 4.327 -3.807 -0.737) 5.810 9.393 ( -3.356 -5.646 -1.143) 6.667 9.853 ( 3.445 7.007 5.967) 9.827 9.983 ( -4.082 8.535 -6.253) 11.341 10.410 ( 2.940 4.143 -4.421) 6.734 10.461 ( -4.716 4.896 4.926) 8.395 10.599 ( 5.105 -5.742 6.562) 10.104 10.755 ( -6.425 -4.568 -3.851) 8.774 12.308 ( 2.055 -0.875 1.228) 2.549 12.367 ( -2.894 0.260 -0.383) 2.930 12.712 ( 6.622 -0.427 0.268) 6.641 12.845 ( -4.620 -0.160 -2.922) 5.469 13.128 ( 3.658 4.778 6.313) 8.722 13.226 ( -1.972 4.336 -4.361) 6.458 14.653 ( 10.032 -9.343 -7.120) 15.447 14.761 ( -0.713 -2.482 7.544) 7.974 14.866 ( 4.725 -9.912 10.937) 15.498 15.205 ( -14.726 -5.587 -10.690) 19.036 15.702 ( 0.111 8.077 -2.106) 8.347 15.709 ( 0.135 10.990 -0.149) 10.991 16.096 ( 5.395 12.381 6.216) 14.867 16.302 ( -9.230 16.194 -7.798) 20.205 16.385 ( 7.098 13.020 -1.775) 14.935 16.503 ( -5.440 15.252 3.682) 16.607 16.897 ( 3.542 -8.450 0.387) 9.170 16.995 ( -5.858 -7.053 1.441) 9.282 17.257 ( 5.690 9.223 3.488) 11.384 17.434 ( -7.357 5.430 -4.236) 10.077 17.699 ( 0.326 3.797 1.956) 4.283 17.764 ( -3.545 2.531 -2.802) 5.180 18.390 ( 2.096 0.487 -0.797) 2.295 18.444 ( -2.940 2.797 -3.054) 5.079 18.862 ( 4.274 -5.023 -0.753) 6.638 18.934 ( -4.096 -4.309 4.023) 7.178 19.583 ( -2.318 4.172 -3.655) 6.011 19.643 ( -8.971 6.908 2.362) 11.567 20.423 ( -3.786 -7.238 5.911) 10.083 20.449 ( -0.791 -5.063 -3.672) 6.304 20.856 ( 7.087 26.815 -1.932) 27.803 20.970 ( -2.875 26.376 2.739) 26.673 22.610 ( 10.616 7.137 16.097) 20.561 22.957 ( -10.690 6.889 -21.000) 24.551 24.716 ( 12.081 -16.702 12.132) 23.919 24.940 ( -3.399 -16.940 -7.555) 18.857 25.718 ( 3.873 -11.795 4.387) 13.167 25.808 ( -1.746 -10.071 -6.594) 12.163 26.359 ( 4.097 -6.826 10.047) 12.819 26.461 ( -0.732 -6.644 -7.882) 10.335 ======================= Grid point 182 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -4.500 7.367 -11.112) 14.071 1.166 ( 4.500 7.367 11.112) 14.071 1.308 ( -0.227 7.191 -3.812) 8.142 1.308 ( 0.227 7.191 3.812) 8.142 1.568 ( 4.997 2.206 -18.808) 19.585 1.568 ( -4.997 2.206 18.808) 19.585 1.805 ( -6.601 0.769 -14.422) 15.879 1.805 ( 6.601 0.769 14.422) 15.879 2.168 ( -4.984 1.448 -15.581) 16.423 2.168 ( 4.984 1.448 15.581) 16.423 2.364 ( -2.335 1.351 -4.865) 5.563 2.364 ( 2.335 1.351 4.865) 5.563 2.809 ( 1.671 5.385 -8.070) 9.845 2.809 ( -1.671 5.385 8.070) 9.845 2.978 ( -4.849 -1.701 -4.109) 6.579 2.978 ( 4.849 -1.701 4.109) 6.579 3.177 ( -0.733 0.024 -3.127) 3.211 3.177 ( 0.733 0.024 3.127) 3.211 3.523 ( -0.532 8.924 -26.928) 28.373 3.523 ( 0.532 8.924 26.928) 28.373 3.801 ( 6.276 7.038 -22.463) 24.362 3.801 ( -6.276 7.038 22.463) 24.362 4.141 ( -1.195 -8.613 -1.470) 8.818 4.141 ( 1.195 -8.613 1.470) 8.818 4.632 ( 2.476 -13.166 -5.636) 14.534 4.632 ( -2.476 -13.166 5.636) 14.534 5.049 ( -4.299 -6.669 -4.191) 8.974 5.049 ( 4.299 -6.669 4.191) 8.974 5.197 ( 3.386 8.338 -3.540) 9.670 5.197 ( -3.386 8.338 3.540) 9.670 5.315 ( -7.080 3.173 -0.228) 7.761 5.315 ( 7.080 3.173 0.228) 7.761 5.921 ( -1.148 3.446 -1.679) 4.001 5.921 ( 1.148 3.446 1.679) 4.001 6.011 ( -1.958 5.804 -3.291) 6.954 6.011 ( 1.958 5.804 3.291) 6.954 6.534 ( -0.207 5.222 -3.580) 6.335 6.534 ( 0.207 5.222 3.580) 6.335 6.846 ( 3.699 0.515 -2.693) 4.605 6.846 ( -3.699 0.515 2.693) 4.605 7.212 ( -1.264 -2.150 -17.441) 17.618 7.212 ( 1.264 -2.150 17.441) 17.618 7.493 ( 0.061 -0.067 -3.962) 3.963 7.493 ( -0.061 -0.067 3.962) 3.963 7.941 ( -10.170 -3.322 -1.392) 10.789 7.941 ( 10.170 -3.322 1.392) 10.789 8.456 ( -0.944 0.852 -5.328) 5.478 8.456 ( 0.944 0.852 5.328) 5.478 8.797 ( 1.448 -5.359 -4.602) 7.211 8.797 ( -1.448 -5.359 4.602) 7.211 9.041 ( 3.048 -0.369 -4.167) 5.176 9.041 ( -3.048 -0.369 4.167) 5.176 9.191 ( -1.805 -13.526 -3.659) 14.128 9.191 ( 1.805 -13.526 3.659) 14.128 9.442 ( -4.536 -7.136 -5.645) 10.166 9.442 ( 4.536 -7.136 5.645) 10.166 9.794 ( -2.563 4.667 -5.113) 7.382 9.794 ( 2.563 4.667 5.113) 7.382 10.278 ( 0.663 10.044 -3.956) 10.816 10.278 ( -0.663 10.044 3.956) 10.816 10.899 ( -3.389 -17.466 -3.957) 18.227 10.899 ( 3.389 -17.466 3.957) 18.227 12.359 ( 0.937 -1.829 -7.407) 7.687 12.359 ( -0.937 -1.829 7.407) 7.687 12.780 ( -6.879 1.634 -0.442) 7.084 12.780 ( 6.879 1.634 0.442) 7.084 13.100 ( -3.338 3.457 -4.834) 6.816 13.100 ( 3.338 3.457 4.834) 6.816 14.831 ( 1.529 -4.812 -6.447) 8.189 14.831 ( -1.529 -4.812 6.447) 8.189 15.135 ( -11.208 -3.902 -5.029) 12.890 15.135 ( 11.208 -3.902 5.029) 12.890 15.508 ( -3.550 12.315 -3.603) 13.313 15.508 ( 3.550 12.315 3.603) 13.313 15.841 ( -4.923 21.632 -5.788) 22.928 15.841 ( 4.923 21.632 5.788) 22.928 16.203 ( 0.635 10.099 -3.184) 10.608 16.203 ( -0.635 10.099 3.184) 10.608 17.063 ( -3.836 -4.106 -7.607) 9.458 17.063 ( 3.836 -4.106 7.607) 9.458 17.303 ( -8.242 -3.056 -1.561) 8.928 17.303 ( 8.242 -3.056 1.561) 8.928 17.677 ( -1.185 2.286 -4.694) 5.354 17.677 ( 1.185 2.286 4.694) 5.354 18.420 ( 0.869 -3.893 -5.473) 6.772 18.420 ( -0.869 -3.893 5.473) 6.772 18.952 ( 0.464 -0.816 -2.520) 2.689 18.952 ( -0.464 -0.816 2.520) 2.689 19.419 ( 2.129 11.587 -3.484) 12.285 19.419 ( -2.129 11.587 3.484) 12.285 20.505 ( 2.322 -0.030 -3.772) 4.430 20.505 ( -2.322 -0.030 3.772) 4.430 20.599 ( 1.555 7.563 -4.231) 8.804 20.599 ( -1.555 7.563 4.231) 8.804 22.723 ( -9.596 -1.400 -28.312) 29.927 22.723 ( 9.596 -1.400 28.312) 29.927 25.094 ( -7.967 -9.079 -9.833) 15.575 25.094 ( 7.967 -9.079 9.833) 15.575 25.939 ( -2.131 -7.886 -6.457) 10.412 25.939 ( 2.131 -7.886 6.457) 10.412 26.551 ( -1.081 -7.393 -10.116) 12.575 26.551 ( 1.081 -7.393 10.116) 12.576 ======================= Grid point 186 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.124 0.000 -3.892) 5.671 1.194 ( 3.749 0.000 0.142) 3.751 1.209 ( 3.800 0.000 -2.595) 4.602 1.479 ( 23.207 0.000 -3.224) 23.430 1.705 ( 18.457 0.000 11.780) 21.896 1.856 ( 14.875 0.000 1.435) 14.944 1.903 ( 4.628 0.000 15.656) 16.326 2.245 ( 0.924 0.000 -2.158) 2.347 2.288 ( 6.982 0.000 1.410) 7.123 2.384 ( 6.508 0.000 -7.160) 9.675 2.469 ( 4.932 0.000 -15.427) 16.196 2.516 ( -1.760 -0.000 7.494) 7.697 2.645 ( 19.450 0.000 -20.401) 28.187 2.813 ( 2.768 0.000 -2.398) 3.663 2.845 ( 1.065 0.000 -0.899) 1.394 3.085 ( -3.459 -0.000 1.275) 3.687 3.164 ( 1.531 0.000 -10.524) 10.635 3.284 ( -5.602 -0.000 -2.814) 6.269 3.454 ( 11.452 0.000 13.363) 17.599 3.620 ( 3.257 0.000 2.465) 4.084 3.879 ( 9.376 0.000 7.647) 12.099 4.144 ( -7.141 -0.000 -10.567) 12.754 4.149 ( -8.049 -0.000 1.008) 8.112 4.294 ( 6.437 0.000 -3.794) 7.471 4.351 ( 11.296 0.000 20.514) 23.419 4.595 ( -5.497 -0.000 -0.199) 5.501 4.872 ( -3.889 -0.000 1.834) 4.300 5.095 ( -3.551 -0.000 -0.694) 3.618 5.104 ( 9.669 0.000 13.620) 16.703 5.256 ( 1.032 0.000 3.314) 3.471 5.389 ( 2.764 0.000 -3.378) 4.365 5.528 ( 6.010 0.000 -1.891) 6.300 5.881 ( 4.828 0.000 15.998) 16.711 5.980 ( -0.615 -0.000 -5.459) 5.493 6.120 ( 1.469 0.000 11.384) 11.478 6.339 ( 7.960 0.000 -2.123) 8.238 6.523 ( 0.133 0.000 -2.641) 2.645 6.540 ( 1.061 0.000 4.541) 4.663 6.669 ( -4.507 -0.000 -24.596) 25.006 6.672 ( 2.521 0.000 -5.482) 6.033 6.893 ( 0.351 0.000 1.423) 1.466 7.227 ( -9.417 -0.000 -2.643) 9.781 7.474 ( -6.702 -0.000 10.103) 12.124 7.498 ( -6.296 -0.000 -6.319) 8.920 7.575 ( 1.424 0.000 -4.230) 4.464 8.072 ( -0.407 -0.000 -1.313) 1.375 8.348 ( -9.014 -0.000 1.893) 9.211 8.414 ( -18.447 -0.000 2.010) 18.556 8.606 ( -5.883 -0.000 0.050) 5.883 8.643 ( -10.231 -0.000 2.825) 10.614 8.959 ( -2.387 -0.000 -0.259) 2.401 9.021 ( -0.905 -0.000 -0.661) 1.121 9.110 ( -10.289 -0.000 7.066) 12.482 9.308 ( -10.044 -0.000 -3.651) 10.687 9.406 ( -6.234 -0.000 7.453) 9.716 9.515 ( -1.378 -0.000 -8.066) 8.183 9.928 ( -2.691 -0.000 10.338) 10.682 9.980 ( 7.874 0.000 -1.272) 7.976 10.156 ( 13.146 0.000 -0.537) 13.157 10.392 ( 11.495 0.000 -0.789) 11.522 11.134 ( -16.114 -0.000 -17.322) 23.658 11.167 ( -9.770 -0.000 8.589) 13.008 11.936 ( 2.483 0.000 -9.546) 9.863 12.295 ( -4.361 -0.000 -0.267) 4.369 12.672 ( 3.902 0.000 5.018) 6.356 12.726 ( 5.421 0.000 -2.856) 6.128 13.006 ( -2.500 -0.000 -0.280) 2.515 13.172 ( 0.710 0.000 0.171) 0.731 14.484 ( -9.485 -0.000 4.472) 10.486 14.876 ( -10.649 -0.000 12.441) 16.376 15.210 ( -0.621 -0.000 15.061) 15.074 15.284 ( 12.182 0.000 6.768) 13.936 15.366 ( 8.474 0.000 -0.916) 8.524 15.458 ( 7.290 0.000 -20.878) 22.114 15.783 ( 14.857 0.000 -7.306) 16.556 15.977 ( -0.384 -0.000 -0.976) 1.049 16.270 ( 12.380 0.000 -1.502) 12.471 16.474 ( 23.784 0.000 6.232) 24.586 16.713 ( 4.605 0.000 -15.699) 16.360 17.270 ( -4.250 -0.000 3.075) 5.245 17.375 ( 1.862 0.000 -5.065) 5.397 17.396 ( -1.511 -0.000 6.813) 6.979 17.773 ( 6.511 0.000 0.470) 6.528 17.885 ( 3.594 0.000 -3.254) 4.848 18.460 ( -10.654 -0.000 1.683) 10.786 18.767 ( -3.486 -0.000 -6.461) 7.341 18.882 ( 7.316 0.000 10.981) 13.195 19.233 ( 4.336 0.000 -2.548) 5.029 19.367 ( 10.692 0.000 0.135) 10.693 19.433 ( 0.799 0.000 -1.878) 2.041 20.324 ( 24.933 0.000 -6.779) 25.839 20.512 ( -0.057 -0.000 0.572) 0.575 20.748 ( 9.145 0.000 2.623) 9.514 20.801 ( 1.890 0.000 -4.303) 4.700 21.844 ( -1.239 -0.000 -14.688) 14.741 23.234 ( 4.511 0.000 13.570) 14.300 24.422 ( -21.311 -0.000 -13.004) 24.965 25.150 ( -9.553 -0.000 4.048) 10.375 25.714 ( -13.259 -0.000 0.483) 13.268 26.092 ( -11.964 -0.000 -1.380) 12.044 26.355 ( -7.317 -0.000 0.052) 7.317 26.685 ( -2.993 -0.000 4.351) 5.281 ======================= Grid point 187 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 12.319 -0.310 13.890) 18.569 1.240 ( 5.113 0.716 -1.032) 5.265 1.275 ( 2.915 -3.029 1.973) 4.644 1.502 ( 18.615 11.506 -1.350) 21.925 1.740 ( 14.718 10.874 4.965) 18.961 1.877 ( 6.949 10.961 7.669) 15.075 2.071 ( 6.633 3.451 -4.636) 8.797 2.196 ( 0.617 4.066 -0.734) 4.178 2.290 ( -0.060 4.355 5.542) 7.048 2.325 ( 2.485 2.118 -3.144) 4.533 2.530 ( -1.552 -4.720 -0.618) 5.007 2.612 ( -4.140 -3.965 -1.742) 5.991 2.755 ( -1.301 1.177 -1.076) 2.058 2.806 ( -4.428 -0.722 -2.851) 5.316 2.922 ( 1.598 -2.719 -3.896) 5.013 3.061 ( -3.734 -1.002 -0.060) 3.867 3.150 ( -0.953 0.203 -11.048) 11.091 3.271 ( -2.869 -5.024 -14.045) 15.190 3.540 ( -4.777 5.527 2.735) 7.800 3.646 ( 4.667 -4.903 11.208) 13.094 4.016 ( 17.470 2.893 4.356) 18.236 4.079 ( 3.883 3.809 -3.758) 6.611 4.159 ( 1.147 -0.717 0.434) 1.421 4.313 ( 7.365 0.938 2.034) 7.698 4.396 ( 9.775 -1.986 0.004) 9.975 4.754 ( 14.626 -4.698 11.356) 19.103 4.765 ( 0.529 7.264 -0.618) 7.309 5.069 ( 5.150 -1.283 2.383) 5.818 5.259 ( 2.883 5.260 7.829) 9.863 5.332 ( 5.763 -9.057 5.698) 12.154 5.407 ( 1.666 -4.865 -3.174) 6.043 5.653 ( 6.076 -5.900 -0.634) 8.493 5.877 ( 0.687 5.559 2.428) 6.105 6.035 ( 5.343 -3.044 12.020) 13.502 6.227 ( -0.247 -5.551 7.529) 9.357 6.411 ( -3.008 4.294 -10.069) 11.353 6.439 ( 0.466 -2.060 -3.523) 4.108 6.488 ( -3.929 0.539 -5.232) 6.566 6.608 ( -2.501 -1.240 -7.199) 7.722 6.813 ( 7.300 -7.817 -2.775) 11.049 6.909 ( 2.163 -0.341 0.618) 2.276 7.154 ( -6.541 -2.519 -3.576) 7.869 7.307 ( -9.091 5.898 2.145) 11.047 7.498 ( -4.268 -3.228 1.830) 5.655 7.556 ( 1.628 2.923 -3.806) 5.068 8.064 ( -6.391 -0.364 -3.216) 7.163 8.139 ( -14.758 4.513 3.693) 15.868 8.336 ( -13.767 -4.850 0.306) 14.600 8.508 ( -7.401 0.722 0.097) 7.437 8.589 ( -5.834 -0.995 2.115) 6.285 8.847 ( -12.257 4.872 -1.769) 13.308 8.876 ( -8.949 3.445 0.012) 9.589 9.031 ( -3.172 6.714 6.216) 9.684 9.148 ( -7.436 4.671 -3.691) 9.525 9.373 ( -6.274 0.089 9.733) 11.580 9.464 ( 0.213 2.039 -9.251) 9.475 9.952 ( 3.735 -1.912 9.359) 10.257 10.136 ( 3.294 -6.105 -1.266) 7.051 10.246 ( 11.001 3.565 -0.359) 11.570 10.507 ( 9.674 -0.442 -5.077) 10.935 10.789 ( -5.518 10.875 -9.324) 15.351 11.110 ( -7.803 1.768 3.533) 8.747 11.997 ( 3.900 -4.826 -6.527) 9.006 12.334 ( -4.766 -6.726 1.898) 8.459 12.701 ( 3.664 2.044 3.227) 5.293 12.789 ( 4.624 -1.423 -3.056) 5.722 13.013 ( 0.688 -2.221 1.294) 2.661 13.181 ( 0.678 -0.587 -1.443) 1.699 14.417 ( -8.616 -0.170 7.680) 11.543 14.784 ( -14.527 1.348 14.016) 20.231 15.075 ( -1.599 8.792 10.832) 14.042 15.259 ( 6.400 8.579 -14.922) 18.364 15.564 ( 10.394 -8.873 4.195) 14.296 15.714 ( 8.637 -13.915 -8.991) 18.683 15.914 ( 2.791 -1.204 -6.804) 7.452 16.027 ( 0.157 -8.410 -4.031) 9.328 16.427 ( 13.543 -1.123 -2.388) 13.797 16.669 ( 11.286 -1.662 2.122) 11.603 16.895 ( 25.533 -7.103 -7.361) 27.506 17.183 ( -0.984 6.112 3.031) 6.893 17.357 ( 2.054 2.321 -3.152) 4.421 17.425 ( -1.580 -2.159 3.489) 4.397 17.853 ( 7.316 -0.931 0.606) 7.400 17.880 ( -1.171 0.801 -3.151) 3.455 18.351 ( -5.249 2.026 1.728) 5.886 18.706 ( -7.079 -0.399 -5.670) 9.079 18.955 ( 8.076 3.765 9.727) 13.191 19.312 ( -0.376 -3.492 -9.822) 10.431 19.432 ( 3.956 -3.946 7.023) 8.974 19.548 ( 3.159 -6.198 -0.619) 6.984 20.144 ( 7.073 18.595 -4.625) 20.425 20.608 ( -2.554 9.627 -0.418) 9.969 20.913 ( 20.706 -16.860 1.183) 26.728 21.154 ( 19.472 -16.199 -1.129) 25.354 21.918 ( 8.673 -6.517 -3.188) 11.307 23.350 ( 7.384 -1.941 12.707) 14.824 24.114 ( -21.536 5.345 -11.232) 24.870 25.007 ( -13.657 4.233 -0.600) 14.310 25.561 ( -14.945 0.955 1.826) 15.086 25.917 ( -17.156 -0.740 -11.296) 20.554 26.260 ( -1.198 6.908 9.743) 12.003 26.626 ( -3.699 3.788 1.871) 5.616 ======================= Grid point 188 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.967 6.968 4.488) 10.827 1.294 ( 13.894 2.176 20.061) 24.499 1.374 ( 0.687 -1.617 1.631) 2.397 1.556 ( 6.642 -0.966 2.363) 7.116 1.650 ( 10.095 12.863 -14.974) 22.172 1.784 ( 4.367 11.541 11.724) 17.022 1.931 ( 0.313 6.155 -2.619) 6.696 2.097 ( -1.752 6.432 0.202) 6.670 2.166 ( -3.227 7.207 2.617) 8.319 2.264 ( -13.069 9.061 0.813) 15.924 2.404 ( -18.457 6.719 -0.657) 19.653 2.519 ( -0.339 -1.061 2.924) 3.129 2.717 ( -4.373 -0.077 0.355) 4.388 2.783 ( 1.419 -3.284 -2.365) 4.288 2.927 ( 1.264 2.291 1.711) 3.127 3.031 ( -4.307 -0.314 -0.886) 4.409 3.094 ( -1.260 1.138 -5.931) 6.170 3.260 ( -3.308 -4.512 -18.579) 19.403 3.360 ( -10.836 6.005 0.951) 12.425 3.659 ( -15.337 3.329 -4.236) 16.256 3.917 ( 1.137 3.387 13.178) 13.654 4.120 ( 11.134 5.459 -7.090) 14.284 4.212 ( 15.579 4.119 9.507) 18.709 4.452 ( 6.687 7.593 -2.784) 10.494 4.696 ( 18.285 -10.684 -2.864) 21.370 4.900 ( 20.857 -11.527 9.150) 25.527 5.010 ( 14.133 -3.856 5.113) 15.516 5.198 ( 1.247 5.162 1.406) 5.493 5.260 ( 10.841 -8.187 0.744) 13.606 5.496 ( -1.945 -5.117 -1.970) 5.818 5.564 ( 6.253 -7.414 2.535) 10.025 5.771 ( 0.669 -3.203 2.787) 4.298 5.929 ( 10.307 -2.651 2.405) 10.911 6.121 ( 5.005 2.655 6.094) 8.320 6.235 ( -2.435 5.948 -4.419) 7.800 6.334 ( 0.436 -3.770 1.247) 3.995 6.378 ( -5.854 0.089 -7.505) 9.518 6.493 ( -2.171 -2.230 -4.991) 5.882 6.625 ( -0.703 -1.803 4.085) 4.520 6.897 ( -1.186 -1.731 2.637) 3.370 7.051 ( -4.885 -10.122 -5.761) 12.630 7.108 ( -3.592 6.773 9.349) 12.091 7.185 ( 1.384 -5.226 -7.852) 9.533 7.478 ( -1.718 4.411 -5.496) 7.254 7.548 ( 2.390 -2.714 3.057) 4.735 7.895 ( -10.063 4.023 -0.977) 10.882 8.036 ( -7.574 -3.833 2.442) 8.833 8.200 ( -14.281 1.601 -0.872) 14.397 8.467 ( -9.094 1.827 -0.333) 9.282 8.519 ( -3.916 0.314 1.450) 4.187 8.671 ( -6.882 1.757 -2.443) 7.511 8.743 ( -7.944 -1.533 -1.040) 8.157 8.852 ( -3.215 10.759 4.465) 12.085 8.992 ( -6.145 3.203 -2.307) 7.304 9.324 ( -3.938 2.118 6.246) 7.681 9.406 ( -0.645 1.821 -3.407) 3.917 10.066 ( 2.194 -2.677 8.256) 8.952 10.219 ( 7.957 3.161 -1.719) 8.733 10.267 ( 0.715 -0.623 -2.585) 2.753 10.477 ( 1.261 5.157 -11.632) 12.786 10.724 ( 5.726 -1.445 2.501) 6.413 11.017 ( -3.296 2.432 1.913) 4.521 12.120 ( 4.304 -5.246 -4.476) 8.129 12.399 ( -4.196 -4.985 2.331) 6.920 12.706 ( 3.120 2.481 3.489) 5.297 12.855 ( 3.676 -2.421 -4.500) 6.295 13.085 ( 2.680 -2.121 3.558) 4.934 13.210 ( 0.500 -3.024 -2.882) 4.207 14.342 ( -6.272 2.354 7.893) 10.353 14.634 ( -10.416 3.541 10.804) 15.420 14.928 ( -1.931 7.567 0.745) 7.845 15.174 ( -1.419 0.219 -10.304) 10.403 15.818 ( 9.646 -6.077 3.078) 11.809 15.925 ( 4.673 -0.070 -3.273) 5.705 15.992 ( 3.813 -11.303 -10.804) 16.095 16.153 ( -4.098 -8.263 0.330) 9.230 16.534 ( 11.125 2.510 3.944) 12.068 16.828 ( 5.684 -3.015 -5.847) 8.695 17.068 ( 3.720 6.943 1.128) 7.957 17.305 ( 7.291 -0.469 -2.853) 7.843 17.355 ( 18.074 -7.120 1.335) 19.472 17.468 ( 1.565 -3.250 0.852) 3.707 17.826 ( -5.176 -0.030 -2.118) 5.593 17.968 ( 7.795 -2.904 0.001) 8.319 18.280 ( -2.806 2.768 2.581) 4.712 18.579 ( -10.130 3.187 -4.718) 11.621 18.982 ( 10.308 6.247 4.255) 12.782 19.275 ( 4.771 6.721 -2.644) 8.656 19.598 ( -7.597 -12.241 2.906) 14.697 19.670 ( -3.392 -8.222 0.527) 8.910 19.938 ( 2.989 8.102 -3.766) 9.421 20.379 ( -10.348 8.330 0.773) 13.306 21.477 ( 28.871 -16.510 0.114) 33.258 21.657 ( 28.417 -10.556 1.577) 30.355 22.216 ( 11.152 -13.871 1.477) 17.859 23.519 ( 1.352 -7.092 2.409) 7.611 23.744 ( -14.677 10.669 0.768) 18.162 24.705 ( -17.162 9.591 -5.504) 20.416 25.395 ( -12.922 1.439 2.016) 13.157 25.714 ( -15.661 0.425 -12.787) 20.222 26.166 ( 1.299 6.587 12.928) 14.567 26.498 ( -4.014 5.461 -1.231) 6.889 ======================= Grid point 189 (87/95) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -2.708 16.252 -0.151) 16.477 1.110 ( -1.446 20.431 2.047) 20.584 1.400 ( 9.896 10.562 -0.931) 14.504 1.455 ( -4.708 9.822 12.871) 16.862 1.630 ( 8.045 0.790 4.411) 9.209 1.741 ( 7.144 -3.807 7.296) 10.898 1.838 ( -2.255 2.632 2.881) 4.507 1.960 ( -4.686 3.803 0.854) 6.096 2.029 ( -2.214 5.783 -0.637) 6.225 2.106 ( -13.471 -5.797 2.303) 14.845 2.198 ( -19.787 -4.045 -1.701) 20.268 2.489 ( -4.161 2.499 -6.352) 7.994 2.717 ( 0.111 -1.384 2.109) 2.524 2.806 ( -0.401 0.919 -2.884) 3.054 2.927 ( 2.978 0.830 5.986) 6.737 2.994 ( -1.293 0.547 2.039) 2.476 3.065 ( -2.423 -1.078 -1.023) 2.842 3.169 ( -7.085 1.428 -1.957) 7.488 3.249 ( -4.965 -3.682 -10.366) 12.069 3.437 ( -11.136 -1.988 -14.223) 18.173 3.964 ( 2.731 1.532 13.136) 13.504 4.097 ( 4.732 4.142 -7.722) 9.959 4.305 ( 12.186 5.660 10.833) 17.259 4.374 ( 15.183 10.105 -1.870) 18.334 4.875 ( 0.045 3.144 -2.541) 4.043 5.009 ( -12.286 5.871 1.403) 13.689 5.174 ( 12.278 -0.313 1.941) 12.435 5.325 ( 15.911 -0.164 8.746) 18.157 5.588 ( 15.091 -11.413 -2.697) 19.112 5.636 ( 3.249 -7.735 1.505) 8.523 5.676 ( 4.082 -1.445 -4.954) 6.580 5.857 ( 6.929 -1.981 2.188) 7.532 5.959 ( 4.441 6.938 0.053) 8.238 6.053 ( -0.326 10.583 -3.117) 11.038 6.239 ( 5.613 -2.294 4.750) 7.702 6.348 ( 3.106 -3.176 -6.212) 7.637 6.402 ( -3.622 -1.674 3.906) 5.584 6.488 ( -3.343 -1.710 -0.755) 3.830 6.609 ( -3.643 0.328 3.885) 5.336 6.839 ( -4.685 4.275 -2.195) 6.712 7.078 ( -5.257 -2.686 -0.203) 5.907 7.105 ( -5.209 -8.031 5.882) 11.235 7.305 ( -0.787 -1.657 -1.385) 2.299 7.385 ( 0.416 -3.704 -13.069) 13.590 7.649 ( 8.400 -1.189 6.822) 10.886 7.790 ( -7.015 -2.329 -0.280) 7.396 8.069 ( -10.696 -2.264 -0.490) 10.944 8.109 ( 1.458 -2.514 2.812) 4.044 8.288 ( -8.964 0.180 -1.105) 9.034 8.474 ( -5.675 -0.556 -2.033) 6.054 8.606 ( 0.563 3.968 2.508) 4.728 8.682 ( 1.532 4.208 -0.463) 4.502 8.775 ( -3.326 -6.916 -1.401) 7.801 8.890 ( -6.425 0.170 -0.619) 6.457 9.265 ( -1.267 2.180 1.062) 2.736 9.357 ( -3.030 1.655 1.484) 3.758 10.112 ( 4.150 3.412 5.257) 7.517 10.224 ( 3.684 1.077 2.514) 4.588 10.286 ( -2.376 -2.894 -3.270) 4.972 10.374 ( 0.068 4.423 -8.231) 9.345 10.810 ( 3.708 -0.531 2.338) 4.416 10.958 ( -2.121 1.976 0.081) 2.901 12.229 ( 4.119 -2.910 -2.290) 5.538 12.436 ( -4.868 -3.494 -0.306) 6.000 12.701 ( 5.340 3.936 5.416) 8.564 12.907 ( 0.845 -1.604 -5.479) 5.771 13.155 ( 3.282 -1.347 3.122) 4.726 13.268 ( -0.267 -3.137 -1.466) 3.473 14.283 ( -0.433 1.304 6.465) 6.609 14.534 ( -6.888 -0.395 2.438) 7.317 14.805 ( -0.078 5.228 4.935) 7.190 15.120 ( -7.878 -2.650 -11.882) 14.500 15.957 ( 4.513 1.565 0.000) 4.777 15.977 ( 6.966 -0.613 0.022) 6.993 16.169 ( 2.759 -8.462 -8.917) 12.599 16.265 ( -5.663 -9.609 5.984) 12.657 16.598 ( 9.880 4.691 5.511) 12.247 16.828 ( 3.574 4.857 -3.726) 7.088 16.989 ( 3.875 6.808 -2.097) 8.109 17.237 ( -3.223 4.131 -2.055) 5.628 17.548 ( 4.261 -2.240 0.520) 4.842 17.679 ( 3.915 -0.229 -2.907) 4.882 17.852 ( 6.341 -8.467 3.545) 11.157 18.098 ( 5.335 -1.652 -2.312) 6.045 18.210 ( -1.792 0.740 3.300) 3.827 18.369 ( -10.751 5.184 -3.175) 12.350 18.961 ( 9.877 8.260 -2.800) 13.177 19.165 ( 1.787 9.760 4.562) 10.921 19.660 ( -3.125 -1.379 -3.554) 4.930 19.808 ( -6.007 -9.798 3.560) 12.032 19.921 ( -1.500 -7.436 -2.311) 7.930 20.123 ( -14.385 4.666 1.769) 15.226 22.018 ( 26.326 -7.494 -0.502) 27.376 22.049 ( 24.359 1.586 1.801) 24.477 22.563 ( 10.634 -8.771 3.245) 14.161 23.328 ( -19.861 2.890 -12.067) 23.418 23.779 ( 5.961 -5.724 17.055) 18.952 24.357 ( -15.342 4.442 -8.974) 18.320 25.280 ( -5.581 0.251 2.202) 6.005 25.530 ( -11.862 -0.771 -8.810) 14.796 26.140 ( 2.384 2.522 11.255) 11.778 26.369 ( -3.508 2.999 -4.348) 6.341 ======================= Grid point 190 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 6.213 -9.349 -0.751) 11.251 0.983 ( 3.277 -8.959 3.444) 10.142 1.291 ( 5.237 4.752 1.806) 7.299 1.374 ( -0.508 -1.950 2.041) 2.869 1.731 ( 3.898 0.611 4.380) 5.895 1.811 ( -5.906 2.606 -0.109) 6.457 1.838 ( -2.688 3.196 8.934) 9.862 1.894 ( -0.685 -0.687 2.287) 2.484 1.906 ( -6.807 -0.418 -2.596) 7.297 2.016 ( -17.429 0.816 -0.977) 17.475 2.052 ( 1.527 2.647 11.684) 12.077 2.338 ( -7.057 3.417 -14.308) 16.315 2.755 ( 2.489 -1.014 0.022) 2.687 2.815 ( -0.774 -2.334 -0.001) 2.459 2.941 ( 1.509 0.634 1.460) 2.193 2.999 ( 0.872 1.099 1.480) 2.039 3.077 ( -0.398 -1.997 5.760) 6.109 3.172 ( -3.404 -5.711 -7.519) 10.036 3.337 ( -0.546 -13.960 -2.288) 14.157 3.427 ( -6.401 -11.425 -8.462) 15.591 3.967 ( -0.057 3.836 14.395) 14.898 4.027 ( 2.615 4.061 -14.026) 14.834 4.291 ( 14.015 10.975 0.509) 17.809 4.417 ( 10.830 5.786 7.848) 14.572 4.681 ( -15.959 11.011 -1.626) 19.457 4.700 ( -6.816 8.557 -2.820) 11.298 5.238 ( 9.958 7.637 -1.175) 12.604 5.369 ( -1.080 10.424 5.947) 12.050 5.602 ( 5.116 5.887 6.275) 10.010 5.656 ( 1.025 6.274 -2.133) 6.705 5.796 ( 0.097 11.616 -4.271) 12.376 5.869 ( -0.723 0.297 -2.281) 2.411 5.978 ( 13.830 4.169 0.722) 14.463 6.031 ( 16.021 -3.267 -1.533) 16.422 6.219 ( -6.778 4.814 -1.133) 8.391 6.344 ( -10.037 -0.921 0.049) 10.079 6.413 ( 1.896 -0.216 1.133) 2.220 6.477 ( -1.798 -3.790 2.762) 5.022 6.672 ( 3.719 -4.301 8.044) 9.851 6.808 ( -4.303 -5.350 -4.892) 8.431 7.080 ( -1.318 -2.558 -2.606) 3.882 7.116 ( -3.067 -1.669 -0.294) 3.503 7.387 ( -1.613 -6.368 3.118) 7.272 7.445 ( -0.208 -4.778 -8.496) 9.750 7.753 ( 7.850 3.373 -1.565) 8.686 7.834 ( -3.000 -5.243 8.194) 10.180 8.029 ( -3.319 -0.072 -0.704) 3.394 8.067 ( -6.865 -8.356 -1.035) 10.863 8.400 ( 1.205 -9.042 0.587) 9.140 8.472 ( -3.203 -5.600 -1.983) 6.749 8.594 ( 6.742 -0.531 2.730) 7.293 8.708 ( 1.308 -2.337 -0.643) 2.754 8.870 ( -2.209 -4.620 -0.936) 5.206 8.879 ( -1.336 -6.124 0.153) 6.270 9.240 ( 0.276 -0.094 -1.346) 1.377 9.288 ( -4.429 1.658 1.272) 4.897 10.094 ( 6.063 6.087 6.857) 10.992 10.238 ( -3.017 5.283 -7.017) 9.287 10.283 ( 0.206 -3.891 1.912) 4.340 10.317 ( -1.369 -3.292 -2.218) 4.199 10.815 ( 1.802 4.336 3.856) 6.076 10.881 ( -2.486 4.025 -2.583) 5.390 12.297 ( 3.842 -0.622 0.019) 3.892 12.405 ( -5.952 -0.019 -1.409) 6.117 12.728 ( 7.544 2.351 4.762) 9.225 12.878 ( -3.664 1.265 -5.381) 6.631 13.216 ( 3.451 -0.157 3.402) 4.848 13.289 ( -1.710 -0.753 -1.537) 2.420 14.361 ( 6.591 -5.012 2.610) 8.682 14.522 ( -6.478 -5.631 -0.768) 8.617 14.785 ( 4.415 1.756 11.157) 12.127 15.031 ( -11.065 -2.848 -13.946) 18.029 15.942 ( 3.029 4.749 1.051) 5.730 15.977 ( 1.266 4.490 -1.591) 4.929 16.323 ( 3.901 -5.547 1.161) 6.880 16.407 ( -3.979 -9.355 1.452) 10.270 16.601 ( 7.138 4.948 1.680) 8.846 16.723 ( -0.769 7.712 -4.476) 8.950 16.909 ( 6.691 7.385 2.346) 10.237 17.086 ( -6.778 6.300 -2.144) 9.499 17.587 ( 2.804 2.307 -3.610) 5.121 17.613 ( -2.113 4.115 1.339) 4.815 17.942 ( 1.178 6.852 1.844) 7.192 18.005 ( -3.840 10.298 -0.874) 11.025 18.296 ( 2.658 -7.715 2.017) 8.406 18.354 ( -0.746 -9.191 -1.812) 9.397 18.884 ( 8.797 8.751 -6.928) 14.212 18.996 ( -4.791 8.901 8.446) 13.173 19.629 ( 3.079 1.558 -6.414) 7.283 19.777 ( -11.869 3.208 4.813) 13.204 20.085 ( -4.711 -10.940 4.654) 12.788 20.097 ( -2.228 -12.366 -3.690) 13.095 21.995 ( 10.978 25.428 -0.099) 27.696 22.056 ( 6.396 23.620 0.272) 24.473 22.776 ( 14.038 -1.531 4.469) 14.811 23.136 ( -15.510 -1.392 -7.925) 17.473 24.056 ( 7.089 -14.779 12.583) 20.664 24.287 ( -8.691 -13.551 -9.798) 18.846 25.329 ( 3.589 -6.580 2.191) 7.809 25.475 ( -8.085 -6.787 -4.245) 11.377 26.192 ( 3.234 -1.602 9.260) 9.938 26.304 ( -2.878 -1.309 -6.699) 7.408 ======================= Grid point 191 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.574 -6.753 -7.152) 9.962 1.173 ( -1.574 -6.753 7.152) 9.962 1.465 ( -12.813 -0.658 -4.143) 13.482 1.465 ( 12.813 -0.658 4.143) 13.482 1.700 ( -6.212 3.056 -0.450) 6.938 1.700 ( 6.212 3.056 0.450) 6.938 1.812 ( -9.208 -5.981 -7.329) 13.201 1.812 ( 9.208 -5.981 7.329) 13.201 1.954 ( -5.428 -6.008 -0.416) 8.108 1.954 ( 5.428 -6.008 0.416) 8.108 2.175 ( -8.098 -1.025 -14.759) 16.866 2.175 ( 8.098 -1.025 14.759) 16.866 2.818 ( -3.708 -1.802 -2.608) 4.879 2.818 ( 3.708 -1.802 2.608) 4.879 2.967 ( -2.677 0.466 -3.778) 4.654 2.967 ( 2.677 0.466 3.778) 4.654 3.152 ( -4.038 -0.638 -9.486) 10.330 3.152 ( 4.038 -0.638 9.486) 10.330 3.652 ( 1.126 -13.995 -6.593) 15.511 3.652 ( -1.126 -13.995 6.593) 15.511 3.961 ( 2.550 -2.677 -15.820) 16.247 3.961 ( -2.550 -2.677 15.820) 16.247 4.214 ( 3.336 12.850 -21.805) 25.528 4.214 ( -3.336 12.850 21.805) 25.528 4.465 ( -1.528 10.764 -3.842) 11.531 4.465 ( 1.528 10.764 3.842) 11.531 5.094 ( 1.812 12.516 -8.063) 14.998 5.094 ( -1.812 12.516 8.063) 14.998 5.502 ( -2.112 8.567 -7.242) 11.415 5.502 ( 2.112 8.567 7.242) 11.415 5.710 ( -10.649 10.018 -1.884) 14.741 5.710 ( 10.649 10.018 1.884) 14.741 5.972 ( -2.532 5.613 -0.533) 6.180 5.972 ( 2.532 5.613 0.533) 6.180 6.223 ( -7.929 2.055 0.043) 8.191 6.223 ( 7.929 2.055 -0.043) 8.191 6.525 ( 1.310 -4.829 -3.198) 5.939 6.525 ( -1.310 -4.829 3.198) 5.939 6.826 ( -5.797 -3.541 -3.842) 7.805 6.826 ( 5.797 -3.541 3.842) 7.805 7.128 ( 2.610 -2.055 -9.230) 9.810 7.128 ( -2.610 -2.055 9.230) 9.810 7.495 ( 3.900 -3.781 -8.119) 9.769 7.495 ( -3.900 -3.781 8.119) 9.769 7.774 ( 7.655 0.777 -3.001) 8.259 7.774 ( -7.655 0.777 3.001) 8.259 8.209 ( -2.710 -12.523 -3.211) 13.210 8.209 ( 2.710 -12.523 3.211) 13.210 8.570 ( -0.342 -8.330 -1.331) 8.442 8.570 ( 0.342 -8.330 1.331) 8.442 8.756 ( -2.934 -6.845 -1.338) 7.566 8.756 ( 2.934 -6.845 1.338) 7.566 8.952 ( -2.284 -3.384 -3.056) 5.100 8.952 ( 2.284 -3.384 3.056) 5.100 9.265 ( 2.841 -2.738 -3.119) 5.030 9.265 ( -2.841 -2.738 3.119) 5.030 10.056 ( -5.026 7.242 -7.894) 11.833 10.056 ( 5.026 7.242 7.894) 11.833 10.386 ( 0.535 -5.761 -2.794) 6.425 10.386 ( -0.535 -5.761 2.794) 6.425 10.737 ( -2.042 7.334 -7.295) 10.543 10.737 ( 2.042 7.334 7.295) 10.543 12.338 ( -2.279 0.590 -2.098) 3.153 12.338 ( 2.279 0.590 2.098) 3.153 12.785 ( -6.185 0.845 -3.470) 7.141 12.785 ( 6.185 0.845 3.470) 7.141 13.245 ( -1.408 2.123 -6.550) 7.028 13.245 ( 1.408 2.123 6.550) 7.028 14.578 ( 2.586 -8.631 -1.904) 9.209 14.578 ( -2.586 -8.631 1.904) 9.209 14.920 ( -9.998 -3.339 -16.665) 19.719 14.920 ( 9.998 -3.339 16.665) 19.719 15.860 ( -0.946 7.354 -1.478) 7.561 15.860 ( 0.946 7.354 1.478) 7.561 16.389 ( -4.656 7.296 -12.504) 15.207 16.389 ( 4.656 7.296 12.504) 15.207 16.614 ( 0.915 0.929 -1.394) 1.909 16.614 ( -0.915 0.929 1.394) 1.909 16.881 ( -6.738 4.082 -5.658) 9.699 16.881 ( 6.738 4.082 5.658) 9.699 17.498 ( 0.838 8.448 -2.666) 8.899 17.498 ( -0.838 8.448 2.666) 8.899 17.807 ( -0.034 6.942 -3.704) 7.869 17.807 ( 0.034 6.942 3.704) 7.869 18.436 ( 0.706 -1.476 -1.083) 1.962 18.436 ( -0.706 -1.476 1.083) 1.962 18.852 ( 7.072 0.763 -5.833) 9.199 18.852 ( -7.072 0.763 5.833) 9.199 19.639 ( 6.077 1.816 -5.158) 8.175 19.639 ( -6.077 1.816 5.158) 8.175 20.274 ( -0.118 -9.942 -5.459) 11.343 20.274 ( 0.118 -9.942 5.459) 11.343 21.500 ( 0.092 34.565 -3.853) 34.780 21.500 ( -0.092 34.565 3.853) 34.780 22.906 ( -7.934 6.037 -17.831) 20.429 22.906 ( 7.934 6.037 17.831) 20.429 24.506 ( -7.755 -20.603 -10.149) 24.241 24.506 ( 7.755 -20.603 10.149) 24.241 25.561 ( -1.260 -11.268 -7.823) 13.775 25.561 ( 1.260 -11.268 7.823) 13.775 26.311 ( -2.771 -4.970 -8.482) 10.214 26.311 ( 2.771 -4.970 8.482) 10.214 ======================= Grid point 197 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 2.865 0.000 1.064) 3.056 1.271 ( 3.244 0.000 -0.856) 3.355 1.318 ( 17.122 0.000 27.892) 32.728 1.905 ( 11.073 0.000 7.192) 13.204 2.031 ( 4.899 0.000 1.102) 5.021 2.072 ( 3.733 0.000 6.273) 7.300 2.129 ( 9.518 0.000 6.829) 11.715 2.295 ( 2.737 0.000 -1.426) 3.086 2.362 ( 1.435 0.000 -13.482) 13.559 2.405 ( 0.295 0.000 -5.209) 5.217 2.450 ( -3.662 -0.000 12.060) 12.604 2.487 ( 5.134 0.000 -1.136) 5.258 2.703 ( -1.182 -0.000 -10.553) 10.619 2.729 ( -8.611 -0.000 -2.424) 8.945 2.882 ( 3.972 0.000 -4.618) 6.091 3.013 ( -3.546 -0.000 -0.156) 3.550 3.107 ( -0.372 -0.000 -12.295) 12.301 3.167 ( -3.434 -0.000 -5.178) 6.214 3.537 ( -7.481 -0.000 2.077) 7.764 3.686 ( 2.403 0.000 4.687) 5.267 4.108 ( -2.680 -0.000 5.553) 6.166 4.214 ( 15.440 0.000 -8.408) 17.581 4.281 ( 17.181 0.000 8.778) 19.293 4.411 ( 8.637 0.000 -0.702) 8.665 4.495 ( 12.374 0.000 1.842) 12.510 4.873 ( 7.548 0.000 -3.765) 8.435 4.918 ( 19.263 0.000 6.436) 20.310 5.084 ( 1.328 0.000 3.504) 3.747 5.259 ( 0.508 0.000 1.279) 1.376 5.364 ( 3.042 0.000 -5.744) 6.500 5.418 ( -2.459 -0.000 20.840) 20.985 5.570 ( 0.465 0.000 0.265) 0.535 5.915 ( -2.447 -0.000 -1.949) 3.128 6.092 ( 1.317 0.000 4.573) 4.759 6.155 ( -3.134 -0.000 16.995) 17.282 6.359 ( -2.824 -0.000 -12.358) 12.676 6.459 ( -0.179 -0.000 -3.064) 3.069 6.473 ( -5.157 -0.000 4.505) 6.848 6.512 ( 3.818 0.000 -18.384) 18.776 6.784 ( 1.910 0.000 -0.626) 2.010 6.973 ( 2.686 0.000 -2.166) 3.451 7.053 ( -2.249 -0.000 -3.043) 3.784 7.346 ( -2.940 -0.000 0.948) 3.089 7.377 ( -4.608 -0.000 8.403) 9.584 7.598 ( 1.979 0.000 -5.191) 5.556 7.913 ( -15.827 -0.000 -1.347) 15.884 8.143 ( -4.652 -0.000 2.798) 5.428 8.161 ( -6.705 -0.000 0.648) 6.736 8.449 ( -8.635 -0.000 0.279) 8.640 8.481 ( -7.168 -0.000 -0.616) 7.195 8.710 ( -18.242 -0.000 -0.476) 18.249 8.796 ( -13.782 -0.000 -0.051) 13.782 9.099 ( -3.255 -0.000 5.367) 6.277 9.104 ( -5.779 -0.000 -4.277) 7.190 9.350 ( -4.207 -0.000 11.145) 11.913 9.461 ( 1.369 0.000 -11.721) 11.800 9.988 ( 1.948 0.000 10.470) 10.649 10.116 ( 5.080 0.000 -1.251) 5.232 10.399 ( 9.403 0.000 0.624) 9.424 10.584 ( 8.878 0.000 -11.125) 14.233 10.808 ( -4.961 -0.000 -10.282) 11.416 11.033 ( -8.050 -0.000 8.538) 11.734 11.996 ( 6.022 0.000 -5.844) 8.391 12.219 ( -3.684 -0.000 2.382) 4.387 12.783 ( 3.612 0.000 4.679) 5.911 12.824 ( 5.714 0.000 -3.980) 6.963 12.988 ( 0.559 0.000 0.772) 0.953 13.175 ( -0.091 -0.000 -2.451) 2.453 14.363 ( -6.719 -0.000 10.873) 12.781 14.659 ( -14.181 -0.000 7.703) 16.138 15.236 ( -4.617 -0.000 23.463) 23.913 15.450 ( 4.971 0.000 -20.286) 20.887 15.532 ( 7.725 0.000 -12.128) 14.379 15.536 ( 6.427 0.000 0.755) 6.471 15.931 ( 0.242 0.000 -0.569) 0.618 15.979 ( 8.641 0.000 -6.686) 10.926 16.535 ( 13.440 0.000 -6.872) 15.095 16.705 ( 2.984 0.000 -0.407) 3.012 17.147 ( 31.002 0.000 -0.321) 31.004 17.259 ( 2.818 0.000 1.305) 3.106 17.383 ( 1.335 0.000 -3.060) 3.339 17.397 ( -1.180 -0.000 4.228) 4.390 17.842 ( -5.863 -0.000 -3.144) 6.652 17.926 ( 7.995 0.000 1.156) 8.079 18.325 ( -3.659 -0.000 1.636) 4.009 18.586 ( -10.066 -0.000 -6.143) 11.792 19.083 ( 5.290 0.000 10.899) 12.115 19.224 ( 2.131 0.000 -8.440) 8.705 19.514 ( 3.804 0.000 -2.042) 4.317 19.523 ( 2.872 0.000 4.605) 5.427 20.471 ( -5.359 -0.000 7.503) 9.220 20.636 ( -1.554 -0.000 -18.142) 18.208 20.969 ( 27.469 0.000 2.612) 27.593 21.111 ( 22.304 0.000 2.155) 22.408 22.025 ( 16.115 0.000 8.264) 18.110 23.398 ( 1.276 0.000 -6.954) 7.070 23.969 ( -11.756 -0.000 4.036) 12.429 24.900 ( -15.016 -0.000 -0.921) 15.044 25.408 ( -16.054 -0.000 2.349) 16.225 25.676 ( -19.301 -0.000 -12.943) 23.239 26.344 ( -0.080 -0.000 10.156) 10.157 26.627 ( -3.902 -0.000 0.087) 3.903 ======================= Grid point 198 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 3.100 -2.036 -0.638) 3.763 1.332 ( 1.461 -2.959 1.873) 3.794 1.588 ( 17.254 0.811 32.287) 36.617 1.825 ( 5.545 12.964 5.500) 15.135 1.933 ( -0.294 8.126 1.788) 8.325 2.044 ( 6.442 10.232 -10.135) 15.777 2.135 ( 0.209 5.024 -0.226) 5.034 2.175 ( -4.424 14.384 2.229) 15.213 2.239 ( -4.233 3.316 0.080) 5.378 2.376 ( -2.851 11.130 -0.878) 11.523 2.405 ( 6.864 5.235 -1.730) 8.804 2.510 ( -2.433 6.290 2.653) 7.247 2.656 ( -4.554 -1.549 3.314) 5.842 2.725 ( 0.684 -4.404 -7.908) 9.078 2.931 ( 1.112 -2.306 -3.116) 4.033 2.982 ( -3.796 -0.189 0.368) 3.819 3.066 ( -0.591 -0.627 -10.798) 10.832 3.126 ( -3.578 -0.407 -6.168) 7.143 3.395 ( -8.001 6.777 2.086) 10.691 3.603 ( -11.964 6.403 -3.735) 14.075 4.052 ( 2.514 4.982 12.164) 13.383 4.277 ( 4.047 5.070 -7.625) 10.011 4.463 ( 14.754 -0.193 6.771) 16.235 4.609 ( 16.783 -6.129 -2.769) 18.081 4.693 ( 16.026 -2.615 0.737) 16.254 4.985 ( 17.108 -3.092 2.006) 17.500 5.114 ( 10.494 -2.103 1.979) 10.884 5.214 ( 8.399 -6.664 4.038) 11.457 5.299 ( 0.445 2.304 0.007) 2.347 5.368 ( -3.582 -6.436 0.240) 7.369 5.476 ( 3.656 -6.926 4.193) 8.883 5.661 ( -4.044 -6.376 3.506) 8.325 5.903 ( -0.993 -3.554 1.313) 3.917 6.131 ( -12.326 -9.651 3.172) 15.973 6.209 ( 3.214 0.767 2.291) 4.021 6.304 ( 1.301 -0.502 -6.452) 6.601 6.352 ( -0.822 6.276 -1.066) 6.419 6.438 ( -1.770 -0.175 -3.403) 3.840 6.594 ( 2.317 -2.407 0.525) 3.382 6.828 ( -5.405 -7.010 -3.661) 9.579 6.919 ( -1.511 2.605 0.365) 3.033 7.079 ( -1.653 -4.354 -7.583) 8.899 7.253 ( 2.509 6.603 10.356) 12.536 7.500 ( 0.558 -0.630 1.663) 1.864 7.553 ( 5.208 -0.304 -3.127) 6.082 7.838 ( -8.016 -7.112 -1.996) 10.900 7.962 ( -4.386 10.222 1.495) 11.223 8.132 ( -7.494 2.359 0.422) 7.868 8.364 ( -5.122 -1.053 -1.279) 5.384 8.463 ( -7.172 -2.674 1.729) 7.848 8.534 ( -14.530 -1.603 -1.172) 14.665 8.625 ( -13.683 -0.125 -1.150) 13.732 9.003 ( -3.875 7.107 3.594) 8.856 9.008 ( -2.569 4.336 -2.600) 5.671 9.345 ( -2.825 0.726 12.031) 12.379 9.420 ( 1.293 1.812 -11.326) 11.543 10.069 ( 1.853 -2.356 10.049) 10.487 10.174 ( 1.673 -2.452 -4.390) 5.300 10.436 ( 6.293 5.038 1.187) 8.148 10.556 ( 2.583 5.190 -14.795) 15.890 10.773 ( 4.538 -0.015 1.142) 4.680 10.988 ( -6.449 -0.441 4.344) 7.788 12.078 ( 6.128 -3.823 -5.160) 8.876 12.250 ( -4.725 -5.741 3.131) 8.068 12.800 ( 3.512 2.449 4.252) 6.034 12.869 ( 4.382 -0.133 -4.353) 6.178 13.050 ( 1.626 -4.185 2.398) 5.090 13.168 ( -0.650 -0.993 -3.457) 3.656 14.335 ( -4.294 0.455 10.189) 11.066 14.546 ( -12.090 -0.463 3.510) 12.597 15.114 ( -1.769 11.603 16.330) 20.110 15.259 ( 3.368 10.630 -18.629) 21.712 15.723 ( 0.392 -12.130 7.219) 14.121 15.769 ( 4.610 -13.632 -15.733) 21.321 15.961 ( 4.227 -0.560 1.512) 4.524 16.054 ( 3.302 -2.310 -3.100) 5.085 16.647 ( 8.225 -0.713 -0.867) 8.302 16.775 ( 2.883 -4.569 -4.127) 6.799 17.239 ( 5.291 6.155 0.929) 8.170 17.366 ( 0.332 2.401 -1.918) 3.091 17.431 ( 2.763 -3.593 0.980) 4.638 17.504 ( 26.294 -3.614 1.964) 26.614 17.753 ( -7.826 0.453 -1.751) 8.032 18.021 ( 7.605 -0.686 1.611) 7.804 18.291 ( -2.470 0.823 0.977) 2.781 18.461 ( -13.137 -0.738 -5.275) 14.176 19.155 ( 5.698 1.123 7.098) 9.171 19.277 ( 1.865 -4.844 -6.376) 8.222 19.502 ( -0.376 2.185 4.190) 4.740 19.568 ( -0.495 -1.530 -0.466) 1.674 20.210 ( 3.169 17.179 -3.321) 17.782 20.466 ( -8.912 10.167 -0.724) 13.539 21.441 ( 24.751 -16.903 1.107) 29.992 21.579 ( 19.139 -20.825 -1.264) 28.312 22.261 ( 18.476 -2.766 13.341) 22.956 23.303 ( -15.362 -2.678 -21.545) 26.595 23.920 ( 6.568 6.603 17.987) 20.256 24.663 ( -17.025 6.982 -5.203) 19.123 25.267 ( -12.967 -0.787 4.191) 13.650 25.476 ( -16.231 -2.850 -13.017) 21.000 26.330 ( 1.491 5.203 10.499) 11.812 26.542 ( -4.092 4.231 -2.591) 6.431 ======================= Grid point 199 (92/95) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 3.711 4.840 0.369) 6.110 1.386 ( -0.618 1.669 1.698) 2.460 1.629 ( 7.221 17.886 7.768) 20.794 1.714 ( 5.619 14.957 -9.801) 18.744 1.812 ( -8.158 5.721 3.951) 10.719 1.870 ( -1.816 12.116 6.762) 13.994 1.922 ( 2.906 7.574 11.207) 13.835 1.939 ( 3.434 10.876 5.929) 12.854 2.059 ( -7.249 12.752 -4.739) 15.415 2.117 ( -3.842 5.974 -0.277) 7.108 2.171 ( 3.324 7.407 4.553) 9.308 2.416 ( -8.528 1.086 -16.004) 18.167 2.710 ( 1.548 -2.377 7.026) 7.577 2.776 ( -0.868 -2.161 -3.652) 4.332 2.959 ( 0.484 -0.336 -2.422) 2.493 2.979 ( -2.602 -3.158 11.591) 12.292 3.048 ( 0.206 0.816 -1.261) 1.516 3.111 ( -0.802 -4.047 -14.045) 14.639 3.204 ( -2.991 7.318 0.594) 7.928 3.312 ( -11.157 6.089 -6.614) 14.328 4.072 ( 3.905 2.549 11.492) 12.402 4.177 ( -0.437 4.471 -6.966) 8.288 4.587 ( 15.161 5.043 5.200) 16.802 4.712 ( 16.225 8.802 -4.944) 19.110 4.855 ( -3.321 -1.082 0.735) 3.569 5.016 ( -10.961 7.506 2.409) 13.501 5.272 ( 11.712 -4.848 2.569) 12.933 5.401 ( 1.240 -6.678 3.166) 7.494 5.474 ( 4.869 -9.673 -1.338) 10.911 5.530 ( 7.548 -10.492 2.213) 13.113 5.658 ( 8.396 -4.570 0.176) 9.561 5.830 ( 11.213 -9.986 -0.431) 15.022 5.960 ( -8.253 -7.890 -4.320) 12.208 6.173 ( -14.271 -9.921 -0.841) 17.401 6.219 ( 1.596 7.637 -4.617) 9.066 6.233 ( -1.428 0.591 6.825) 6.998 6.376 ( 6.708 -1.190 -1.062) 6.895 6.442 ( 0.234 -2.690 0.289) 2.715 6.605 ( -0.706 1.020 4.651) 4.814 6.773 ( -10.132 -0.140 -6.229) 11.894 6.988 ( 4.399 -4.357 4.405) 7.598 7.109 ( -3.252 -0.999 -4.240) 5.436 7.229 ( 3.633 0.361 6.040) 7.058 7.363 ( -4.731 4.878 -7.136) 9.853 7.719 ( 6.291 -1.007 5.287) 8.279 7.757 ( -1.525 4.720 -2.130) 5.399 7.944 ( -0.909 -4.136 -0.403) 4.253 8.055 ( 0.078 -6.031 1.170) 6.144 8.250 ( -7.986 5.785 0.797) 9.894 8.375 ( -9.585 -0.401 -3.266) 10.134 8.557 ( -3.158 -7.459 2.813) 8.574 8.586 ( -4.323 -5.639 -2.912) 7.679 8.838 ( -0.238 8.617 2.723) 9.040 8.882 ( -3.115 5.398 -2.120) 6.583 9.324 ( 0.213 2.873 4.997) 5.768 9.366 ( -1.101 2.095 -3.557) 4.273 10.144 ( 0.878 -1.574 7.915) 8.118 10.204 ( -0.807 -2.323 -6.515) 6.963 10.380 ( 3.939 6.840 2.723) 8.350 10.441 ( 0.392 5.495 -7.417) 9.239 10.845 ( 4.760 -0.999 1.396) 5.060 10.942 ( -4.400 -0.011 0.516) 4.431 12.207 ( 5.832 -4.490 -3.918) 8.338 12.306 ( -5.590 -5.105 2.671) 8.028 12.816 ( 3.958 1.725 5.214) 6.769 12.886 ( 0.866 -0.100 -5.085) 5.159 13.149 ( 1.346 -3.493 3.862) 5.379 13.190 ( -0.375 -3.457 -4.065) 5.349 14.323 ( 0.193 0.961 7.903) 7.963 14.445 ( -8.296 -0.063 -1.869) 8.504 14.960 ( 0.376 8.773 13.207) 15.859 15.068 ( -1.039 6.318 -15.975) 17.211 15.945 ( 0.411 -8.925 6.247) 10.902 15.987 ( 2.103 -11.242 -11.947) 16.539 16.029 ( 5.060 -0.730 2.048) 5.507 16.107 ( -1.748 -3.411 0.430) 3.857 16.738 ( 5.656 -0.201 6.156) 8.362 16.841 ( -0.236 -2.076 -7.570) 7.853 17.175 ( 5.959 7.284 0.310) 9.416 17.281 ( -3.229 4.925 -0.992) 5.972 17.538 ( 5.074 -3.650 -0.269) 6.257 17.671 ( -7.300 -1.091 -0.657) 7.410 17.851 ( 20.879 -5.273 2.697) 21.703 18.103 ( 3.464 -1.768 -0.025) 3.890 18.241 ( -2.809 2.281 1.239) 3.825 18.298 ( -12.969 2.151 -3.691) 13.654 19.187 ( 8.180 5.173 -1.243) 9.758 19.302 ( -3.315 3.618 2.477) 5.496 19.534 ( 0.893 -7.073 0.892) 7.185 19.598 ( -3.668 -6.251 0.591) 7.272 19.988 ( 6.418 11.460 -6.264) 14.552 20.155 ( -11.792 11.815 4.278) 17.233 22.003 ( 18.016 -18.809 0.795) 26.057 22.100 ( 10.324 -18.137 -1.396) 20.916 22.576 ( 18.393 -5.575 13.481) 23.476 23.085 ( -20.783 -1.487 -18.519) 27.876 23.942 ( 11.023 7.236 16.867) 21.409 24.301 ( -16.286 9.861 -9.730) 21.380 25.218 ( -3.974 -2.126 6.163) 7.635 25.351 ( -10.839 -2.574 -10.822) 15.532 26.278 ( 2.736 5.779 10.153) 11.998 26.395 ( -3.775 5.492 -5.914) 8.910 ======================= Grid point 200 (93/95) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.861 19.699 -4.381) 20.199 1.085 ( -0.861 19.699 4.381) 20.199 1.457 ( 3.500 8.856 -13.822) 16.785 1.457 ( -3.500 8.856 13.822) 16.785 1.744 ( 1.897 -0.506 -4.870) 5.251 1.744 ( -1.897 -0.506 4.870) 5.251 1.857 ( 0.709 0.618 -7.272) 7.333 1.857 ( -0.709 0.618 7.272) 7.333 1.976 ( -2.998 4.960 -4.605) 7.402 1.976 ( 2.998 4.960 4.605) 7.402 2.231 ( -10.894 1.602 -19.737) 22.601 2.231 ( 10.894 1.602 19.737) 22.601 2.769 ( 0.687 -0.725 -6.190) 6.270 2.769 ( -0.687 -0.725 6.190) 6.270 2.981 ( -2.573 -0.067 -2.604) 3.661 2.981 ( 2.573 -0.067 2.604) 3.661 3.083 ( -1.174 0.431 -7.788) 7.888 3.083 ( 1.174 0.431 7.788) 7.888 3.198 ( -1.210 -4.938 -11.936) 12.974 3.198 ( 1.210 -4.938 11.936) 12.974 4.074 ( -0.382 3.669 -10.554) 11.180 4.074 ( 0.382 3.669 10.554) 11.180 4.630 ( -0.354 8.677 -17.214) 19.280 4.630 ( 0.354 8.677 17.214) 19.280 4.737 ( -4.030 7.868 -8.283) 12.115 4.737 ( 4.030 7.868 8.283) 12.115 5.427 ( -4.997 1.189 -1.997) 5.511 5.427 ( 4.997 1.189 1.997) 5.511 5.657 ( 1.072 -5.256 -7.417) 9.153 5.657 ( -1.072 -5.256 7.417) 9.153 5.919 ( -3.440 -2.541 -2.853) 5.141 5.919 ( 3.440 -2.541 2.853) 5.141 6.081 ( 2.141 4.738 -4.963) 7.188 6.081 ( -2.141 4.738 4.963) 7.188 6.216 ( -3.356 -5.917 -0.516) 6.822 6.216 ( 3.356 -5.917 0.516) 6.822 6.433 ( 5.912 1.152 -5.704) 8.296 6.433 ( -5.912 1.152 5.704) 8.296 6.677 ( -3.369 -1.840 -10.367) 11.055 6.677 ( 3.369 -1.840 10.367) 11.055 7.062 ( 3.818 0.178 -7.626) 8.530 7.062 ( -3.818 0.178 7.626) 8.530 7.307 ( -0.707 -4.594 -7.380) 8.722 7.307 ( 0.707 -4.594 7.380) 8.722 7.758 ( 0.012 -3.754 -5.376) 6.557 7.758 ( -0.012 -3.754 5.376) 6.557 8.028 ( -6.487 2.784 -3.730) 7.984 8.028 ( 6.487 2.784 3.730) 7.984 8.301 ( -8.795 -6.016 -3.288) 11.152 8.301 ( 8.795 -6.016 3.288) 11.152 8.657 ( -2.110 -2.435 -1.042) 3.387 8.657 ( 2.110 -2.435 1.042) 3.387 8.774 ( -2.453 -1.061 -0.644) 2.749 8.774 ( 2.453 -1.061 0.644) 2.749 9.293 ( 2.313 2.904 -9.335) 10.047 9.293 ( -2.313 2.904 9.335) 10.047 10.208 ( -1.596 -1.669 -5.753) 6.199 10.208 ( 1.596 -1.669 5.753) 6.199 10.313 ( -2.247 5.189 -5.076) 7.599 10.313 ( 2.247 5.189 5.076) 7.599 10.894 ( -2.405 1.065 -2.332) 3.515 10.894 ( 2.405 1.065 2.332) 3.515 12.322 ( -1.434 -2.461 -2.221) 3.612 12.322 ( 1.434 -2.461 2.221) 3.612 12.845 ( -3.950 1.446 -5.678) 7.067 12.845 ( 3.950 1.446 5.678) 7.067 13.230 ( -0.347 -2.605 -4.838) 5.506 13.230 ( 0.347 -2.605 4.838) 5.506 14.376 ( -4.524 -1.710 -6.762) 8.313 14.376 ( 4.524 -1.710 6.762) 8.313 14.913 ( -1.330 3.150 -18.722) 19.032 14.913 ( 1.330 3.150 18.722) 19.032 16.031 ( -0.420 1.522 -3.595) 3.927 16.031 ( 0.420 1.522 3.595) 3.927 16.198 ( 2.998 -9.793 -5.883) 11.811 16.198 ( -2.998 -9.793 5.883) 11.811 16.780 ( -3.666 3.958 -7.886) 9.554 16.780 ( 3.666 3.958 7.886) 9.554 17.121 ( -7.194 6.502 -0.893) 9.738 17.121 ( 7.194 6.502 0.893) 9.738 17.627 ( 1.086 -0.180 -7.474) 7.555 17.627 ( -1.086 -0.180 7.474) 7.555 18.103 ( -4.619 2.686 -7.387) 9.117 18.103 ( 4.619 2.686 7.387) 9.117 18.183 ( 2.257 -3.924 -3.078) 5.474 18.183 ( -2.257 -3.924 3.078) 5.474 19.126 ( 8.362 9.434 -7.598) 14.719 19.126 ( -8.362 9.434 7.598) 14.719 19.701 ( 6.013 -4.259 -6.144) 9.594 19.701 ( -6.013 -4.259 6.144) 9.594 19.919 ( 4.603 -0.589 -3.649) 5.903 19.919 ( -4.603 -0.589 3.649) 5.903 22.335 ( 0.109 0.225 -0.316) 0.403 22.335 ( -0.109 0.225 0.316) 0.403 22.876 ( -15.478 -4.199 -10.273) 19.045 22.876 ( 15.478 -4.199 10.273) 19.045 24.020 ( -9.710 -0.690 -13.188) 16.392 24.020 ( 9.710 -0.690 13.188) 16.392 25.293 ( -4.202 -3.470 -7.467) 9.245 25.293 ( 4.202 -3.470 7.467) 9.245 26.259 ( -3.246 2.583 -8.573) 9.524 26.259 ( 3.246 2.583 8.573) 9.524 ======================= Grid point 208 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.956 0.000 1.460) 1.746 1.318 ( 1.605 0.000 -1.080) 1.935 1.844 ( 9.672 0.000 29.232) 30.790 1.888 ( -6.181 -0.000 1.379) 6.333 1.958 ( -5.267 -0.000 2.769) 5.951 2.132 ( 0.820 0.000 -2.748) 2.867 2.191 ( -1.044 -0.000 1.508) 1.834 2.264 ( -1.591 -0.000 -13.634) 13.726 2.308 ( -2.276 -0.000 21.811) 21.929 2.375 ( 4.154 0.000 -22.935) 23.308 2.557 ( -6.529 -0.000 11.096) 12.875 2.601 ( 0.478 0.000 -17.520) 17.527 2.730 ( 10.557 0.000 2.946) 10.961 2.746 ( 12.713 0.000 1.138) 12.764 2.921 ( 2.493 0.000 -0.949) 2.667 2.952 ( -1.309 -0.000 -1.166) 1.754 3.043 ( -0.158 -0.000 -5.033) 5.036 3.081 ( -2.798 -0.000 -2.192) 3.555 3.410 ( -4.290 -0.000 4.310) 6.081 3.539 ( -11.564 -0.000 -5.235) 12.694 4.180 ( 4.230 0.000 10.536) 11.353 4.316 ( -2.177 -0.000 -7.042) 7.371 4.572 ( 9.874 0.000 4.218) 10.737 4.635 ( 7.549 0.000 -3.681) 8.399 4.895 ( 19.580 0.000 1.607) 19.646 5.115 ( 13.417 0.000 -5.273) 14.417 5.165 ( 4.312 0.000 3.480) 5.541 5.181 ( -6.726 -0.000 3.169) 7.436 5.247 ( -6.088 -0.000 3.502) 7.024 5.304 ( 2.149 0.000 -1.444) 2.589 5.465 ( 6.617 0.000 1.094) 6.706 5.613 ( 2.439 0.000 4.188) 4.846 5.843 ( -4.771 -0.000 -3.530) 5.935 5.872 ( -16.607 -0.000 5.563) 17.514 6.265 ( 3.246 0.000 2.329) 3.995 6.277 ( 1.910 0.000 -5.925) 6.225 6.425 ( 0.579 0.000 -6.839) 6.863 6.431 ( -3.966 -0.000 8.550) 9.425 6.596 ( 7.056 0.000 -3.422) 7.843 6.703 ( -5.048 -0.000 -1.144) 5.177 6.919 ( -0.555 -0.000 -7.850) 7.870 6.962 ( -7.096 -0.000 3.826) 8.062 7.429 ( 4.097 0.000 5.108) 6.548 7.500 ( 0.672 0.000 10.090) 10.112 7.625 ( 7.138 0.000 -9.115) 11.578 7.659 ( -1.590 -0.000 -0.713) 1.742 8.091 ( -2.884 -0.000 1.412) 3.212 8.096 ( -1.208 -0.000 -1.160) 1.675 8.317 ( -3.572 -0.000 0.749) 3.650 8.334 ( -4.293 -0.000 -2.351) 4.895 8.382 ( -9.490 -0.000 0.095) 9.491 8.457 ( -15.065 -0.000 -0.272) 15.067 9.026 ( -0.240 -0.000 -2.775) 2.785 9.045 ( -3.354 -0.000 3.180) 4.622 9.363 ( -2.087 -0.000 14.192) 14.344 9.415 ( 1.503 0.000 -14.223) 14.302 10.095 ( 2.100 0.000 8.714) 8.963 10.156 ( 0.549 0.000 -4.921) 4.951 10.538 ( 2.541 0.000 5.111) 5.708 10.591 ( 2.215 0.000 -14.603) 14.770 10.821 ( 5.256 0.000 -1.031) 5.356 10.926 ( -6.543 -0.000 5.507) 8.552 12.086 ( 5.552 0.000 -5.218) 7.619 12.159 ( -4.238 -0.000 4.293) 6.033 12.867 ( 1.786 0.000 3.996) 4.377 12.891 ( 2.271 0.000 -4.276) 4.842 13.039 ( 3.346 0.000 2.790) 4.357 13.129 ( -2.624 -0.000 -3.602) 4.456 14.339 ( -1.080 -0.000 9.154) 9.218 14.439 ( -7.723 -0.000 -1.681) 7.904 15.312 ( -3.298 -0.000 28.044) 28.237 15.405 ( 4.447 0.000 -28.187) 28.536 15.564 ( 4.268 0.000 -14.450) 15.067 15.571 ( -3.229 -0.000 8.640) 9.223 16.005 ( 3.698 0.000 3.363) 4.999 16.055 ( 1.428 0.000 -3.440) 3.725 16.701 ( 6.637 0.000 -7.355) 9.907 16.741 ( -0.894 -0.000 3.962) 4.061 17.380 ( 3.243 0.000 -3.646) 4.879 17.385 ( -0.640 -0.000 2.358) 2.443 17.414 ( 7.291 0.000 1.568) 7.458 17.618 ( -6.553 -0.000 -0.373) 6.563 17.790 ( 21.275 0.000 1.300) 21.314 18.091 ( 3.843 0.000 2.391) 4.526 18.267 ( -3.693 -0.000 0.160) 3.696 18.288 ( -13.440 -0.000 -5.061) 14.361 19.215 ( 1.262 0.000 9.090) 9.177 19.239 ( 2.949 0.000 -7.457) 8.019 19.540 ( 1.465 0.000 -3.136) 3.462 19.558 ( -1.515 -0.000 3.747) 4.042 20.422 ( -4.374 -0.000 13.250) 13.953 20.475 ( -1.149 -0.000 -16.670) 16.710 21.487 ( 16.412 0.000 -0.066) 16.412 21.526 ( 11.917 0.000 1.552) 12.017 22.485 ( 19.135 0.000 19.425) 27.266 23.026 ( -19.380 -0.000 -24.492) 31.232 24.147 ( 13.834 0.000 16.298) 21.377 24.542 ( -16.511 -0.000 -7.274) 18.042 25.159 ( -7.468 -0.000 6.088) 9.635 25.256 ( -11.352 -0.000 -11.943) 16.478 26.426 ( 2.357 0.000 8.466) 8.788 26.531 ( -3.829 -0.000 -4.415) 5.843 ======================= Grid point 209 (95/95) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.783 -2.590 -1.860) 3.283 1.351 ( -0.783 -2.590 1.860) 3.283 1.823 ( 0.828 3.728 -2.046) 4.333 1.823 ( -0.828 3.728 2.046) 4.333 2.034 ( -4.879 6.841 -12.570) 15.119 2.034 ( 4.879 6.841 12.570) 15.119 2.156 ( 0.082 6.406 -7.085) 9.552 2.156 ( -0.082 6.406 7.085) 9.552 2.226 ( 4.457 6.986 -5.373) 9.876 2.226 ( -4.457 6.986 5.373) 9.876 2.536 ( -1.001 22.416 0.236) 22.439 2.536 ( 1.001 22.416 -0.236) 22.439 2.677 ( 2.647 -4.108 -14.756) 15.544 2.677 ( -2.647 -4.108 14.756) 15.544 2.932 ( 2.201 -1.106 -7.099) 7.514 2.932 ( -2.201 -1.106 7.099) 7.514 3.051 ( 0.467 -0.318 -2.596) 2.657 3.051 ( -0.467 -0.318 2.596) 2.657 3.352 ( -4.953 7.292 -4.323) 9.818 3.352 ( 4.953 7.292 4.323) 9.818 4.204 ( -3.977 4.079 -9.433) 11.019 4.204 ( 3.977 4.079 9.433) 11.019 4.724 ( -4.290 -4.779 -4.462) 7.819 4.724 ( 4.290 -4.779 4.462) 7.819 5.031 ( -5.730 5.877 -3.844) 9.063 5.031 ( 5.730 5.877 3.844) 9.063 5.259 ( -5.923 -4.251 -3.258) 7.985 5.259 ( 5.923 -4.251 3.258) 7.985 5.338 ( -0.260 -11.504 -3.677) 12.080 5.338 ( 0.260 -11.504 3.677) 12.080 5.673 ( -2.627 -8.217 -0.133) 8.628 5.673 ( 2.627 -8.217 0.133) 8.628 5.825 ( 8.175 -4.834 -8.871) 12.996 5.825 ( -8.175 -4.834 8.871) 12.996 6.297 ( -1.474 0.512 -4.786) 5.034 6.297 ( 1.474 0.512 4.786) 5.034 6.387 ( 0.218 0.554 -7.172) 7.197 6.387 ( -0.218 0.554 7.172) 7.197 6.667 ( -4.785 -0.314 -3.236) 5.785 6.667 ( 4.785 -0.314 3.236) 5.785 6.964 ( -1.141 -4.915 -7.965) 9.429 6.964 ( 1.141 -4.915 7.965) 9.429 7.391 ( -3.295 6.458 -7.778) 10.633 7.391 ( 3.295 6.458 7.778) 10.633 7.760 ( -2.057 -5.587 -7.844) 9.848 7.760 ( 2.057 -5.587 7.844) 9.848 7.982 ( -6.666 6.324 -1.097) 9.254 7.982 ( 6.666 6.324 1.097) 9.254 8.296 ( -1.100 1.370 -3.113) 3.575 8.296 ( 1.100 1.370 3.113) 3.575 8.426 ( -2.088 -6.641 -2.437) 7.375 8.426 ( 2.088 -6.641 2.437) 7.375 8.972 ( 1.018 5.588 -2.903) 6.379 8.972 ( -1.018 5.588 2.903) 6.379 9.378 ( 2.007 1.163 -13.920) 14.112 9.378 ( -2.007 1.163 13.920) 14.112 10.148 ( -0.455 -1.252 -8.048) 8.158 10.148 ( 0.455 -1.252 8.048) 8.158 10.521 ( 0.119 4.874 -7.396) 8.858 10.521 ( -0.119 4.874 7.396) 8.858 10.882 ( -2.594 -0.781 0.358) 2.732 10.882 ( 2.594 -0.781 -0.358) 2.732 12.169 ( 5.149 -4.380 -4.719) 8.244 12.169 ( -5.149 -4.380 4.719) 8.244 12.880 ( -0.902 0.874 -4.741) 4.904 12.880 ( 0.902 0.874 4.741) 4.904 13.112 ( -2.216 -2.738 -3.677) 5.092 13.112 ( 2.216 -2.738 3.677) 5.092 14.371 ( -3.056 0.091 -6.252) 6.960 14.371 ( 3.056 0.091 6.252) 6.960 15.192 ( 3.305 11.826 -23.704) 26.696 15.192 ( -3.305 11.826 23.704) 26.696 15.749 ( 3.497 -13.315 -15.810) 20.963 15.749 ( -3.497 -13.315 15.810) 20.963 16.055 ( -1.768 -1.118 -3.058) 3.705 16.055 ( 1.768 -1.118 3.058) 3.705 16.760 ( 0.764 -2.621 -7.499) 7.980 16.760 ( -0.764 -2.621 7.499) 7.980 17.336 ( -0.895 4.735 -2.630) 5.490 17.336 ( 0.895 4.735 2.630) 5.490 17.546 ( -3.613 -2.678 -3.859) 5.925 17.546 ( 3.613 -2.678 3.859) 5.925 18.023 ( -16.970 -0.722 -1.483) 17.050 18.023 ( 16.970 -0.722 1.483) 17.050 18.232 ( 2.166 -0.286 -1.612) 2.715 18.232 ( -2.166 -0.286 1.612) 2.715 19.262 ( 0.726 -2.009 -7.568) 7.864 19.262 ( -0.726 -2.009 7.568) 7.864 19.529 ( 1.037 1.437 -5.879) 6.140 19.529 ( -1.037 1.437 5.879) 6.140 20.294 ( 3.267 12.838 -13.285) 18.761 20.294 ( -3.267 12.838 13.285) 18.761 21.771 ( -1.852 -18.094 -1.455) 18.247 21.771 ( 1.852 -18.094 1.455) 18.247 22.771 ( -20.159 -2.210 -21.180) 29.324 22.771 ( 20.159 -2.210 21.180) 29.323 24.273 ( -14.965 7.530 -12.516) 20.911 24.273 ( 14.965 7.530 12.516) 20.911 25.185 ( -2.938 -3.054 -9.414) 10.324 25.185 ( 2.938 -3.054 9.414) 10.324 26.434 ( -3.257 4.559 -7.140) 9.076 26.434 ( 3.257 4.559 7.140) 9.076 =================== 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 3/33048 10.0 19.331 19.386 32.620 -0.000 5.719 0.000 3/33048 20.0 6.793 5.312 11.610 0.000 1.492 0.000 3/33048 30.0 4.323 3.204 7.380 0.000 0.822 0.000 3/33048 40.0 3.260 2.370 5.554 0.000 0.561 0.000 3/33048 50.0 2.684 1.933 4.528 0.000 0.426 0.000 3/33048 60.0 2.318 1.662 3.855 0.000 0.344 0.000 3/33048 70.0 2.059 1.474 3.370 0.000 0.289 0.000 3/33048 80.0 1.862 1.332 3.000 0.000 0.248 0.000 3/33048 90.0 1.705 1.221 2.708 0.000 0.218 0.000 3/33048 100.0 1.575 1.130 2.470 0.000 0.194 0.000 3/33048 110.0 1.466 1.054 2.272 0.000 0.175 0.000 3/33048 120.0 1.373 0.990 2.105 0.000 0.160 0.000 3/33048 130.0 1.292 0.935 1.962 0.000 0.147 0.000 3/33048 140.0 1.222 0.886 1.837 0.000 0.137 0.000 3/33048 150.0 1.159 0.844 1.729 0.000 0.128 0.000 3/33048 160.0 1.104 0.806 1.633 0.000 0.120 0.000 3/33048 170.0 1.054 0.771 1.548 0.000 0.114 0.000 3/33048 180.0 1.009 0.740 1.472 0.000 0.108 0.000 3/33048 190.0 0.968 0.712 1.403 0.000 0.103 0.000 3/33048 200.0 0.931 0.686 1.341 0.000 0.099 0.000 3/33048 210.0 0.897 0.663 1.285 0.000 0.095 0.000 3/33048 220.0 0.866 0.641 1.233 0.000 0.092 0.000 3/33048 230.0 0.837 0.620 1.185 0.000 0.089 0.000 3/33048 240.0 0.810 0.601 1.142 0.000 0.087 0.000 3/33048 250.0 0.785 0.583 1.101 0.000 0.084 0.000 3/33048 260.0 0.761 0.567 1.064 0.000 0.082 0.000 3/33048 270.0 0.739 0.551 1.029 0.000 0.080 0.000 3/33048 280.0 0.718 0.536 0.996 0.000 0.078 0.000 3/33048 290.0 0.699 0.522 0.966 0.000 0.076 0.000 3/33048 300.0 0.680 0.508 0.937 0.000 0.075 0.000 3/33048 310.0 0.663 0.496 0.910 0.000 0.073 0.000 3/33048 320.0 0.646 0.484 0.885 0.000 0.072 0.000 3/33048 330.0 0.630 0.472 0.861 0.000 0.070 0.000 3/33048 340.0 0.615 0.461 0.838 0.000 0.069 0.000 3/33048 350.0 0.601 0.450 0.817 0.000 0.068 0.000 3/33048 360.0 0.587 0.440 0.796 0.000 0.066 0.000 3/33048 370.0 0.574 0.431 0.777 0.000 0.065 0.000 3/33048 380.0 0.562 0.422 0.758 0.000 0.064 0.000 3/33048 390.0 0.550 0.413 0.741 0.000 0.063 0.000 3/33048 400.0 0.538 0.404 0.724 0.000 0.062 0.000 3/33048 410.0 0.527 0.396 0.708 0.000 0.061 0.000 3/33048 420.0 0.516 0.388 0.692 0.000 0.060 0.000 3/33048 430.0 0.506 0.380 0.678 0.000 0.059 0.000 3/33048 440.0 0.496 0.373 0.664 0.000 0.058 0.000 3/33048 450.0 0.487 0.366 0.650 0.000 0.057 0.000 3/33048 460.0 0.478 0.359 0.637 0.000 0.056 0.000 3/33048 470.0 0.469 0.353 0.625 0.000 0.056 0.000 3/33048 480.0 0.460 0.346 0.613 0.000 0.055 0.000 3/33048 490.0 0.452 0.340 0.601 0.000 0.054 0.000 3/33048 500.0 0.444 0.334 0.590 0.000 0.053 0.000 3/33048 510.0 0.437 0.329 0.579 0.000 0.052 0.000 3/33048 520.0 0.429 0.323 0.569 0.000 0.052 0.000 3/33048 530.0 0.422 0.318 0.559 0.000 0.051 0.000 3/33048 540.0 0.415 0.312 0.549 0.000 0.050 0.000 3/33048 550.0 0.408 0.307 0.540 0.000 0.049 0.000 3/33048 560.0 0.402 0.303 0.531 0.000 0.049 0.000 3/33048 570.0 0.395 0.298 0.522 0.000 0.048 0.000 3/33048 580.0 0.389 0.293 0.514 0.000 0.047 0.000 3/33048 590.0 0.383 0.289 0.505 0.000 0.047 0.000 3/33048 600.0 0.377 0.284 0.497 0.000 0.046 0.000 3/33048 610.0 0.372 0.280 0.490 0.000 0.046 0.000 3/33048 620.0 0.366 0.276 0.482 0.000 0.045 0.000 3/33048 630.0 0.361 0.272 0.475 0.000 0.044 0.000 3/33048 640.0 0.356 0.268 0.468 0.000 0.044 0.000 3/33048 650.0 0.351 0.264 0.461 0.000 0.043 0.000 3/33048 660.0 0.346 0.261 0.454 0.000 0.043 0.000 3/33048 670.0 0.341 0.257 0.448 0.000 0.042 0.000 3/33048 680.0 0.337 0.254 0.442 0.000 0.042 0.000 3/33048 690.0 0.332 0.250 0.436 0.000 0.041 0.000 3/33048 700.0 0.328 0.247 0.430 0.000 0.041 0.000 3/33048 710.0 0.323 0.244 0.424 0.000 0.040 0.000 3/33048 720.0 0.319 0.241 0.418 0.000 0.040 0.000 3/33048 730.0 0.315 0.238 0.413 0.000 0.039 0.000 3/33048 740.0 0.311 0.235 0.407 0.000 0.039 0.000 3/33048 750.0 0.307 0.232 0.402 0.000 0.039 0.000 3/33048 760.0 0.303 0.229 0.397 0.000 0.038 0.000 3/33048 770.0 0.300 0.226 0.392 0.000 0.038 0.000 3/33048 780.0 0.296 0.223 0.387 0.000 0.037 0.000 3/33048 790.0 0.293 0.221 0.383 0.000 0.037 0.000 3/33048 800.0 0.289 0.218 0.378 0.000 0.036 0.000 3/33048 810.0 0.286 0.216 0.374 0.000 0.036 0.000 3/33048 820.0 0.283 0.213 0.369 0.000 0.036 0.000 3/33048 830.0 0.279 0.211 0.365 0.000 0.035 0.000 3/33048 840.0 0.276 0.208 0.361 0.000 0.035 0.000 3/33048 850.0 0.273 0.206 0.357 0.000 0.035 0.000 3/33048 860.0 0.270 0.204 0.353 0.000 0.034 0.000 3/33048 870.0 0.267 0.202 0.349 0.000 0.034 0.000 3/33048 880.0 0.264 0.199 0.345 0.000 0.034 0.000 3/33048 890.0 0.261 0.197 0.341 0.000 0.033 0.000 3/33048 900.0 0.259 0.195 0.337 0.000 0.033 0.000 3/33048 910.0 0.256 0.193 0.334 0.000 0.033 0.000 3/33048 920.0 0.253 0.191 0.330 0.000 0.032 0.000 3/33048 930.0 0.251 0.189 0.327 0.000 0.032 0.000 3/33048 940.0 0.248 0.187 0.323 0.000 0.032 0.000 3/33048 950.0 0.246 0.185 0.320 0.000 0.031 0.000 3/33048 960.0 0.243 0.183 0.317 0.000 0.031 0.000 3/33048 970.0 0.241 0.182 0.314 0.000 0.031 0.000 3/33048 980.0 0.238 0.180 0.311 0.000 0.030 0.000 3/33048 990.0 0.236 0.178 0.307 0.000 0.030 0.000 3/33048 1000.0 0.234 0.176 0.304 0.000 0.030 0.000 3/33048 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:57:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|