----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:34:33]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456586519999998 Atomic positions (fractional): *1 In 0.77632646138956 0.87244159540531 0.50000000000000 114.818 2 In 0.22367353861044 0.12755840459469 0.50000000000000 114.818 3 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 4 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 *5 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 6 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 7 Rb 0.73179391889554 0.24194815127191 0.50000000000000 85.468 8 Rb 0.26820608110446 0.75805184872808 0.50000000000000 85.468 *9 Rb 0.00000000000000 0.50000000000000 0.74561840367389 85.468 10 Rb 0.50000000000000 0.00000000000000 0.75438159632611 85.468 11 Rb 0.00000000000000 0.50000000000000 0.25438159632611 85.468 12 Rb 0.50000000000000 0.00000000000000 0.24561840367390 85.468 *13 Na 0.48175100793371 0.35283749318538 0.75231777227402 22.990 14 Na 0.51824899206629 0.64716250681462 0.75231777227402 22.990 15 Na 0.98175100793371 0.14716250681462 0.74768222772598 22.990 16 Na 0.01824899206629 0.85283749318538 0.74768222772598 22.990 17 Na 0.51824899206629 0.64716250681462 0.24768222772598 22.990 18 Na 0.48175100793371 0.35283749318538 0.24768222772598 22.990 19 Na 0.01824899206629 0.85283749318538 0.25231777227402 22.990 20 Na 0.98175100793371 0.14716250681462 0.25231777227402 22.990 *21 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 22 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 23 Na 0.73538301253189 0.58202903068006 0.50000000000000 22.990 24 Na 0.26461698746811 0.41797096931994 0.50000000000000 22.990 *25 O 0.58181438755319 0.77549954630937 0.50000000000000 15.999 26 O 0.41818561244681 0.22450045369063 0.50000000000000 15.999 27 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 28 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 *29 O 0.30692847584172 0.51773948256834 0.76518107961496 15.999 30 O 0.69307152415828 0.48226051743166 0.76518107961496 15.999 31 O 0.80692847584172 0.98226051743166 0.73481892038504 15.999 32 O 0.19307152415828 0.01773948256834 0.73481892038504 15.999 33 O 0.69307152415828 0.48226051743166 0.23481892038503 15.999 34 O 0.30692847584172 0.51773948256834 0.23481892038503 15.999 35 O 0.19307152415828 0.01773948256834 0.26518107961497 15.999 36 O 0.80692847584172 0.98226051743166 0.26518107961497 15.999 *37 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 38 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 39 O 0.93645532172608 0.72504808791075 0.50000000000000 15.999 40 O 0.06354467827393 0.27495191208925 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456586519999998 Atomic positions (fractional): *1 In 0.77632646138956 0.87244159540531 0.50000000000000 114.818 > 1 2 In 0.22367353861044 0.12755840459469 0.50000000000000 114.818 > 2 3 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 > 3 4 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 > 4 *5 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 > 5 6 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 > 6 7 Rb 0.73179391889554 0.24194815127191 0.50000000000000 85.468 > 7 8 Rb 0.26820608110446 0.75805184872808 0.50000000000000 85.468 > 8 *9 Rb 0.00000000000000 0.50000000000000 0.74561840367389 85.468 > 9 10 Rb 0.50000000000000 0.00000000000000 0.75438159632611 85.468 > 10 11 Rb 0.00000000000000 0.50000000000000 0.25438159632611 85.468 > 11 12 Rb 0.50000000000000 0.00000000000000 0.24561840367390 85.468 > 12 *13 Na 0.48175100793371 0.35283749318538 0.75231777227402 22.990 > 13 14 Na 0.51824899206629 0.64716250681462 0.75231777227402 22.990 > 14 15 Na 0.98175100793371 0.14716250681462 0.74768222772598 22.990 > 15 16 Na 0.01824899206629 0.85283749318538 0.74768222772598 22.990 > 16 17 Na 0.51824899206629 0.64716250681462 0.24768222772598 22.990 > 17 18 Na 0.48175100793371 0.35283749318538 0.24768222772598 22.990 > 18 19 Na 0.01824899206629 0.85283749318538 0.25231777227402 22.990 > 19 20 Na 0.98175100793371 0.14716250681462 0.25231777227402 22.990 > 20 *21 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 > 21 22 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 > 22 23 Na 0.73538301253189 0.58202903068006 0.50000000000000 22.990 > 23 24 Na 0.26461698746811 0.41797096931994 0.50000000000000 22.990 > 24 *25 O 0.58181438755319 0.77549954630937 0.50000000000000 15.999 > 25 26 O 0.41818561244681 0.22450045369063 0.50000000000000 15.999 > 26 27 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 > 27 28 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 > 28 *29 O 0.30692847584172 0.51773948256834 0.76518107961496 15.999 > 29 30 O 0.69307152415828 0.48226051743166 0.76518107961496 15.999 > 30 31 O 0.80692847584172 0.98226051743166 0.73481892038504 15.999 > 31 32 O 0.19307152415828 0.01773948256834 0.73481892038504 15.999 > 32 33 O 0.69307152415828 0.48226051743166 0.23481892038503 15.999 > 33 34 O 0.30692847584172 0.51773948256834 0.23481892038503 15.999 > 34 35 O 0.19307152415828 0.01773948256834 0.26518107961497 15.999 > 35 36 O 0.80692847584172 0.98226051743166 0.26518107961497 15.999 > 36 *37 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 > 37 38 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 > 38 39 O 0.93645532172608 0.72504808791075 0.50000000000000 15.999 > 39 40 O 0.06354467827393 0.27495191208925 0.50000000000000 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.913173039999997 Atomic positions (fractional): *1 In 0.77632646138956 0.87244159540531 0.25000000000000 114.818 > 1 2 In 0.77632646138956 0.87244159540531 0.75000000000000 114.818 > 1 3 In 0.22367353861044 0.12755840459469 0.25000000000000 114.818 > 2 4 In 0.22367353861044 0.12755840459469 0.75000000000000 114.818 > 2 5 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 > 3 6 In 0.27632646138957 0.62755840459469 0.50000000000000 114.818 > 3 7 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 > 4 8 In 0.72367353861044 0.37244159540531 0.50000000000000 114.818 > 4 *9 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 > 5 10 Rb 0.23179391889554 0.25805184872809 0.50000000000000 85.468 > 5 11 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 > 6 12 Rb 0.76820608110446 0.74194815127192 0.50000000000000 85.468 > 6 13 Rb 0.73179391889554 0.24194815127191 0.25000000000000 85.468 > 7 14 Rb 0.73179391889554 0.24194815127191 0.75000000000000 85.468 > 7 15 Rb 0.26820608110446 0.75805184872808 0.25000000000000 85.468 > 8 16 Rb 0.26820608110446 0.75805184872808 0.75000000000000 85.468 > 8 *17 Rb 0.00000000000000 0.50000000000000 0.37280920183695 85.468 > 9 18 Rb 0.00000000000000 0.50000000000000 0.87280920183695 85.468 > 9 19 Rb 0.50000000000000 0.00000000000000 0.37719079816305 85.468 > 10 20 Rb 0.50000000000000 0.00000000000000 0.87719079816305 85.468 > 10 21 Rb 0.00000000000000 0.50000000000000 0.12719079816305 85.468 > 11 22 Rb 0.00000000000000 0.50000000000000 0.62719079816305 85.468 > 11 23 Rb 0.50000000000000 0.00000000000000 0.12280920183695 85.468 > 12 24 Rb 0.50000000000000 0.00000000000000 0.62280920183695 85.468 > 12 *25 Na 0.48175100793371 0.35283749318538 0.37615888613701 22.990 > 13 26 Na 0.48175100793371 0.35283749318538 0.87615888613701 22.990 > 13 27 Na 0.51824899206629 0.64716250681462 0.37615888613701 22.990 > 14 28 Na 0.51824899206629 0.64716250681462 0.87615888613701 22.990 > 14 29 Na 0.98175100793371 0.14716250681462 0.37384111386299 22.990 > 15 30 Na 0.98175100793371 0.14716250681462 0.87384111386299 22.990 > 15 31 Na 0.01824899206629 0.85283749318538 0.37384111386299 22.990 > 16 32 Na 0.01824899206629 0.85283749318538 0.87384111386299 22.990 > 16 33 Na 0.51824899206629 0.64716250681462 0.12384111386299 22.990 > 17 34 Na 0.51824899206629 0.64716250681462 0.62384111386299 22.990 > 17 35 Na 0.48175100793371 0.35283749318538 0.12384111386299 22.990 > 18 36 Na 0.48175100793371 0.35283749318538 0.62384111386299 22.990 > 18 37 Na 0.01824899206629 0.85283749318538 0.12615888613701 22.990 > 19 38 Na 0.01824899206629 0.85283749318538 0.62615888613701 22.990 > 19 39 Na 0.98175100793371 0.14716250681462 0.12615888613701 22.990 > 20 40 Na 0.98175100793371 0.14716250681462 0.62615888613701 22.990 > 20 *41 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 > 21 42 Na 0.23538301253189 0.91797096931994 0.50000000000000 22.990 > 21 43 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 > 22 44 Na 0.76461698746811 0.08202903068006 0.50000000000000 22.990 > 22 45 Na 0.73538301253189 0.58202903068006 0.25000000000000 22.990 > 23 46 Na 0.73538301253189 0.58202903068006 0.75000000000000 22.990 > 23 47 Na 0.26461698746811 0.41797096931994 0.25000000000000 22.990 > 24 48 Na 0.26461698746811 0.41797096931994 0.75000000000000 22.990 > 24 *49 O 0.58181438755319 0.77549954630937 0.25000000000000 15.999 > 25 50 O 0.58181438755319 0.77549954630937 0.75000000000000 15.999 > 25 51 O 0.41818561244681 0.22450045369063 0.25000000000000 15.999 > 26 52 O 0.41818561244681 0.22450045369063 0.75000000000000 15.999 > 26 53 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 > 27 54 O 0.08181438755319 0.72450045369063 0.50000000000000 15.999 > 27 55 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 > 28 56 O 0.91818561244681 0.27549954630937 0.50000000000000 15.999 > 28 *57 O 0.30692847584172 0.51773948256834 0.38259053980748 15.999 > 29 58 O 0.30692847584172 0.51773948256834 0.88259053980748 15.999 > 29 59 O 0.69307152415828 0.48226051743166 0.38259053980748 15.999 > 30 60 O 0.69307152415828 0.48226051743166 0.88259053980748 15.999 > 30 61 O 0.80692847584172 0.98226051743166 0.36740946019252 15.999 > 31 62 O 0.80692847584172 0.98226051743166 0.86740946019252 15.999 > 31 63 O 0.19307152415828 0.01773948256834 0.36740946019252 15.999 > 32 64 O 0.19307152415828 0.01773948256834 0.86740946019252 15.999 > 32 65 O 0.69307152415828 0.48226051743166 0.11740946019252 15.999 > 33 66 O 0.69307152415828 0.48226051743166 0.61740946019252 15.999 > 33 67 O 0.30692847584172 0.51773948256834 0.11740946019252 15.999 > 34 68 O 0.30692847584172 0.51773948256834 0.61740946019252 15.999 > 34 69 O 0.19307152415828 0.01773948256834 0.13259053980748 15.999 > 35 70 O 0.19307152415828 0.01773948256834 0.63259053980748 15.999 > 35 71 O 0.80692847584172 0.98226051743166 0.13259053980748 15.999 > 36 72 O 0.80692847584172 0.98226051743166 0.63259053980748 15.999 > 36 *73 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 > 37 74 O 0.43645532172607 0.77495191208925 0.50000000000000 15.999 > 37 75 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 > 38 76 O 0.56354467827392 0.22504808791075 0.50000000000000 15.999 > 38 77 O 0.93645532172608 0.72504808791075 0.25000000000000 15.999 > 39 78 O 0.93645532172608 0.72504808791075 0.75000000000000 15.999 > 39 79 O 0.06354467827393 0.27495191208925 0.25000000000000 15.999 > 40 80 O 0.06354467827393 0.27495191208925 0.75000000000000 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4324649 0.0000000 0.0000000 0.0000000 3.3574730 0.0000000 0.0000000 0.0000000 3.3193650 -------------------------- Born effective charges -------------------------- 1 In 2.3882565 -0.0215142 0.0000000 0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 2 In 2.3882565 -0.0215142 0.0000000 0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 3 In 2.3882565 0.0215142 0.0000000 -0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 4 In 2.3882565 0.0215142 0.0000000 -0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 5 Rb 1.2241431 -0.0198124 0.0000000 0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 6 Rb 1.2241431 -0.0198124 0.0000000 0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 7 Rb 1.2241431 0.0198124 0.0000000 -0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 8 Rb 1.2241431 0.0198124 0.0000000 -0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 9 Rb 1.1515324 0.0454794 0.0000000 0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 10 Rb 1.1515324 -0.0454794 0.0000000 -0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 11 Rb 1.1515324 0.0454794 0.0000000 0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 12 Rb 1.1515324 -0.0454794 0.0000000 -0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 13 Na 1.0442504 0.0109744 0.1249202 -0.0906607 0.9479804 0.1046403 0.0420427 0.1238396 0.9222008 14 Na 1.0442504 0.0109744 -0.1249202 -0.0906607 0.9479804 -0.1046403 -0.0420427 -0.1238396 0.9222008 15 Na 1.0442504 -0.0109744 -0.1249202 0.0906607 0.9479804 0.1046403 -0.0420427 0.1238396 0.9222008 16 Na 1.0442504 -0.0109744 0.1249202 0.0906607 0.9479804 -0.1046403 0.0420427 -0.1238396 0.9222008 17 Na 1.0442504 0.0109744 0.1249202 -0.0906607 0.9479804 0.1046403 0.0420427 0.1238396 0.9222008 18 Na 1.0442504 0.0109744 -0.1249202 -0.0906607 0.9479804 -0.1046403 -0.0420427 -0.1238396 0.9222008 19 Na 1.0442504 -0.0109744 -0.1249202 0.0906607 0.9479804 0.1046403 -0.0420427 0.1238396 0.9222008 20 Na 1.0442504 -0.0109744 0.1249202 0.0906607 0.9479804 -0.1046403 0.0420427 -0.1238396 0.9222008 21 Na 0.8388766 0.0154289 0.0000000 -0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 22 Na 0.8388766 0.0154289 0.0000000 -0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 23 Na 0.8388766 -0.0154289 0.0000000 0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 24 Na 0.8388766 -0.0154289 0.0000000 0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 25 O -2.3080443 -0.2780487 0.0000000 -0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 26 O -2.3080443 -0.2780487 0.0000000 -0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 27 O -2.3080443 0.2780487 0.0000000 0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 28 O -2.3080443 0.2780487 0.0000000 0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 29 O -1.6704026 -0.0111299 0.0239404 0.0599332 -1.8642808 -0.3066086 0.0604487 -0.2653831 -2.1038995 30 O -1.6704026 -0.0111299 -0.0239404 0.0599332 -1.8642808 0.3066086 -0.0604487 0.2653831 -2.1038995 31 O -1.6704026 0.0111299 -0.0239404 -0.0599332 -1.8642808 -0.3066086 -0.0604487 -0.2653831 -2.1038995 32 O -1.6704026 0.0111299 0.0239404 -0.0599332 -1.8642808 0.3066086 0.0604487 0.2653831 -2.1038995 33 O -1.6704026 -0.0111299 0.0239404 0.0599332 -1.8642808 -0.3066086 0.0604487 -0.2653831 -2.1038995 34 O -1.6704026 -0.0111299 -0.0239404 0.0599332 -1.8642808 0.3066086 -0.0604487 0.2653831 -2.1038995 35 O -1.6704026 0.0111299 -0.0239404 -0.0599332 -1.8642808 -0.3066086 -0.0604487 -0.2653831 -2.1038995 36 O -1.6704026 0.0111299 0.0239404 -0.0599332 -1.8642808 0.3066086 0.0604487 0.2653831 -2.1038995 37 O -2.0424599 -0.4185992 0.0000000 -0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 38 O -2.0424599 -0.4185992 0.0000000 -0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 39 O -2.0424599 0.4185992 0.0000000 0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 40 O -2.0424599 0.4185992 0.0000000 0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1869), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 438), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.204 Solver_block: 200 / 640 - Time: 2.177 Solver_block: 300 / 640 - Time: 2.172 Solver_block: 400 / 640 - Time: 2.174 Solver_block: 500 / 640 - Time: 2.173 Solver_block: 600 / 640 - Time: 2.173 Solver_block: 640 / 640 - Time: 0.936 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.056 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1869), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 438), 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 09:35:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:08]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456586519999998 Atomic positions (fractional): 1 In 0.77632646138956 0.87244159540531 0.50000000000000 114.818 2 In 0.22367353861044 0.12755840459469 0.50000000000000 114.818 3 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 4 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 5 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 6 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 7 Rb 0.73179391889554 0.24194815127191 0.50000000000000 85.468 8 Rb 0.26820608110446 0.75805184872808 0.50000000000000 85.468 9 Rb 0.00000000000000 0.50000000000000 0.74561840367389 85.468 10 Rb 0.50000000000000 0.00000000000000 0.75438159632611 85.468 11 Rb 0.00000000000000 0.50000000000000 0.25438159632611 85.468 12 Rb 0.50000000000000 0.00000000000000 0.24561840367390 85.468 13 Na 0.48175100793371 0.35283749318538 0.75231777227402 22.990 14 Na 0.51824899206629 0.64716250681462 0.75231777227402 22.990 15 Na 0.98175100793371 0.14716250681462 0.74768222772598 22.990 16 Na 0.01824899206629 0.85283749318538 0.74768222772598 22.990 17 Na 0.51824899206629 0.64716250681462 0.24768222772598 22.990 18 Na 0.48175100793371 0.35283749318538 0.24768222772598 22.990 19 Na 0.01824899206629 0.85283749318538 0.25231777227402 22.990 20 Na 0.98175100793371 0.14716250681462 0.25231777227402 22.990 21 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 22 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 23 Na 0.73538301253189 0.58202903068006 0.50000000000000 22.990 24 Na 0.26461698746811 0.41797096931994 0.50000000000000 22.990 25 O 0.58181438755319 0.77549954630937 0.50000000000000 15.999 26 O 0.41818561244681 0.22450045369063 0.50000000000000 15.999 27 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 28 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 29 O 0.30692847584172 0.51773948256834 0.76518107961496 15.999 30 O 0.69307152415828 0.48226051743166 0.76518107961496 15.999 31 O 0.80692847584172 0.98226051743166 0.73481892038504 15.999 32 O 0.19307152415828 0.01773948256834 0.73481892038504 15.999 33 O 0.69307152415828 0.48226051743166 0.23481892038503 15.999 34 O 0.30692847584172 0.51773948256834 0.23481892038503 15.999 35 O 0.19307152415828 0.01773948256834 0.26518107961497 15.999 36 O 0.80692847584172 0.98226051743166 0.26518107961497 15.999 37 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 38 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 39 O 0.93645532172608 0.72504808791075 0.50000000000000 15.999 40 O 0.06354467827393 0.27495191208925 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.913173039999997 Atomic positions (fractional): 1 In 0.77632646138956 0.87244159540531 0.25000000000000 114.818 > 1 2 In 0.77632646138956 0.87244159540531 0.75000000000000 114.818 > 1 3 In 0.22367353861044 0.12755840459469 0.25000000000000 114.818 > 3 4 In 0.22367353861044 0.12755840459469 0.75000000000000 114.818 > 3 5 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 > 5 6 In 0.27632646138957 0.62755840459469 0.50000000000000 114.818 > 5 7 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 > 7 8 In 0.72367353861044 0.37244159540531 0.50000000000000 114.818 > 7 9 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 > 9 10 Rb 0.23179391889554 0.25805184872809 0.50000000000000 85.468 > 9 11 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 > 11 12 Rb 0.76820608110446 0.74194815127192 0.50000000000000 85.468 > 11 13 Rb 0.73179391889554 0.24194815127191 0.25000000000000 85.468 > 13 14 Rb 0.73179391889554 0.24194815127191 0.75000000000000 85.468 > 13 15 Rb 0.26820608110446 0.75805184872808 0.25000000000000 85.468 > 15 16 Rb 0.26820608110446 0.75805184872808 0.75000000000000 85.468 > 15 17 Rb 0.00000000000000 0.50000000000000 0.37280920183695 85.468 > 17 18 Rb 0.00000000000000 0.50000000000000 0.87280920183695 85.468 > 17 19 Rb 0.50000000000000 0.00000000000000 0.37719079816305 85.468 > 19 20 Rb 0.50000000000000 0.00000000000000 0.87719079816305 85.468 > 19 21 Rb 0.00000000000000 0.50000000000000 0.12719079816305 85.468 > 21 22 Rb 0.00000000000000 0.50000000000000 0.62719079816305 85.468 > 21 23 Rb 0.50000000000000 0.00000000000000 0.12280920183695 85.468 > 23 24 Rb 0.50000000000000 0.00000000000000 0.62280920183695 85.468 > 23 25 Na 0.48175100793371 0.35283749318538 0.37615888613701 22.990 > 25 26 Na 0.48175100793371 0.35283749318538 0.87615888613701 22.990 > 25 27 Na 0.51824899206629 0.64716250681462 0.37615888613701 22.990 > 27 28 Na 0.51824899206629 0.64716250681462 0.87615888613701 22.990 > 27 29 Na 0.98175100793371 0.14716250681462 0.37384111386299 22.990 > 29 30 Na 0.98175100793371 0.14716250681462 0.87384111386299 22.990 > 29 31 Na 0.01824899206629 0.85283749318538 0.37384111386299 22.990 > 31 32 Na 0.01824899206629 0.85283749318538 0.87384111386299 22.990 > 31 33 Na 0.51824899206629 0.64716250681462 0.12384111386299 22.990 > 33 34 Na 0.51824899206629 0.64716250681462 0.62384111386299 22.990 > 33 35 Na 0.48175100793371 0.35283749318538 0.12384111386299 22.990 > 35 36 Na 0.48175100793371 0.35283749318538 0.62384111386299 22.990 > 35 37 Na 0.01824899206629 0.85283749318538 0.12615888613701 22.990 > 37 38 Na 0.01824899206629 0.85283749318538 0.62615888613701 22.990 > 37 39 Na 0.98175100793371 0.14716250681462 0.12615888613701 22.990 > 39 40 Na 0.98175100793371 0.14716250681462 0.62615888613701 22.990 > 39 41 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 > 41 42 Na 0.23538301253189 0.91797096931994 0.50000000000000 22.990 > 41 43 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 > 43 44 Na 0.76461698746811 0.08202903068006 0.50000000000000 22.990 > 43 45 Na 0.73538301253189 0.58202903068006 0.25000000000000 22.990 > 45 46 Na 0.73538301253189 0.58202903068006 0.75000000000000 22.990 > 45 47 Na 0.26461698746811 0.41797096931994 0.25000000000000 22.990 > 47 48 Na 0.26461698746811 0.41797096931994 0.75000000000000 22.990 > 47 49 O 0.58181438755319 0.77549954630937 0.25000000000000 15.999 > 49 50 O 0.58181438755319 0.77549954630937 0.75000000000000 15.999 > 49 51 O 0.41818561244681 0.22450045369063 0.25000000000000 15.999 > 51 52 O 0.41818561244681 0.22450045369063 0.75000000000000 15.999 > 51 53 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 > 53 54 O 0.08181438755319 0.72450045369063 0.50000000000000 15.999 > 53 55 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 > 55 56 O 0.91818561244681 0.27549954630937 0.50000000000000 15.999 > 55 57 O 0.30692847584172 0.51773948256834 0.38259053980748 15.999 > 57 58 O 0.30692847584172 0.51773948256834 0.88259053980748 15.999 > 57 59 O 0.69307152415828 0.48226051743166 0.38259053980748 15.999 > 59 60 O 0.69307152415828 0.48226051743166 0.88259053980748 15.999 > 59 61 O 0.80692847584172 0.98226051743166 0.36740946019252 15.999 > 61 62 O 0.80692847584172 0.98226051743166 0.86740946019252 15.999 > 61 63 O 0.19307152415828 0.01773948256834 0.36740946019252 15.999 > 63 64 O 0.19307152415828 0.01773948256834 0.86740946019252 15.999 > 63 65 O 0.69307152415828 0.48226051743166 0.11740946019252 15.999 > 65 66 O 0.69307152415828 0.48226051743166 0.61740946019252 15.999 > 65 67 O 0.30692847584172 0.51773948256834 0.11740946019252 15.999 > 67 68 O 0.30692847584172 0.51773948256834 0.61740946019252 15.999 > 67 69 O 0.19307152415828 0.01773948256834 0.13259053980748 15.999 > 69 70 O 0.19307152415828 0.01773948256834 0.63259053980748 15.999 > 69 71 O 0.80692847584172 0.98226051743166 0.13259053980748 15.999 > 71 72 O 0.80692847584172 0.98226051743166 0.63259053980748 15.999 > 71 73 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 > 73 74 O 0.43645532172607 0.77495191208925 0.50000000000000 15.999 > 73 75 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 > 75 76 O 0.56354467827392 0.22504808791075 0.50000000000000 15.999 > 75 77 O 0.93645532172608 0.72504808791075 0.25000000000000 15.999 > 77 78 O 0.93645532172608 0.72504808791075 0.75000000000000 15.999 > 77 79 O 0.06354467827393 0.27495191208925 0.25000000000000 15.999 > 79 80 O 0.06354467827393 0.27495191208925 0.75000000000000 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4324649 0.0000000 0.0000000 0.0000000 3.3574730 0.0000000 0.0000000 0.0000000 3.3193650 -------------------------- Born effective charges -------------------------- 1 In 2.3882565 -0.0215142 0.0000000 0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 2 In 2.3882565 -0.0215142 0.0000000 0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 3 In 2.3882565 0.0215142 0.0000000 -0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 4 In 2.3882565 0.0215142 0.0000000 -0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 5 Rb 1.2241431 -0.0198124 0.0000000 0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 6 Rb 1.2241431 -0.0198124 0.0000000 0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 7 Rb 1.2241431 0.0198124 0.0000000 -0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 8 Rb 1.2241431 0.0198124 0.0000000 -0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 9 Rb 1.1515324 0.0454794 0.0000000 0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 10 Rb 1.1515324 -0.0454794 0.0000000 -0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 11 Rb 1.1515324 0.0454794 0.0000000 0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 12 Rb 1.1515324 -0.0454794 0.0000000 -0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 13 Na 1.0442504 0.0109744 0.1249202 -0.0906607 0.9479804 0.1046403 0.0420427 0.1238396 0.9222008 14 Na 1.0442504 0.0109744 -0.1249202 -0.0906607 0.9479804 -0.1046403 -0.0420427 -0.1238396 0.9222008 15 Na 1.0442504 -0.0109744 -0.1249202 0.0906607 0.9479804 0.1046403 -0.0420427 0.1238396 0.9222008 16 Na 1.0442504 -0.0109744 0.1249202 0.0906607 0.9479804 -0.1046403 0.0420427 -0.1238396 0.9222008 17 Na 1.0442504 0.0109744 0.1249202 -0.0906607 0.9479804 0.1046403 0.0420427 0.1238396 0.9222008 18 Na 1.0442504 0.0109744 -0.1249202 -0.0906607 0.9479804 -0.1046403 -0.0420427 -0.1238396 0.9222008 19 Na 1.0442504 -0.0109744 -0.1249202 0.0906607 0.9479804 0.1046403 -0.0420427 0.1238396 0.9222008 20 Na 1.0442504 -0.0109744 0.1249202 0.0906607 0.9479804 -0.1046403 0.0420427 -0.1238396 0.9222008 21 Na 0.8388766 0.0154289 0.0000000 -0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 22 Na 0.8388766 0.0154289 0.0000000 -0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 23 Na 0.8388766 -0.0154289 0.0000000 0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 24 Na 0.8388766 -0.0154289 0.0000000 0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 25 O -2.3080443 -0.2780487 0.0000000 -0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 26 O -2.3080443 -0.2780487 0.0000000 -0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 27 O -2.3080443 0.2780487 0.0000000 0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 28 O -2.3080443 0.2780487 0.0000000 0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 29 O -1.6704026 -0.0111299 0.0239404 0.0599332 -1.8642808 -0.3066086 0.0604487 -0.2653831 -2.1038995 30 O -1.6704026 -0.0111299 -0.0239404 0.0599332 -1.8642808 0.3066086 -0.0604487 0.2653831 -2.1038995 31 O -1.6704026 0.0111299 -0.0239404 -0.0599332 -1.8642808 -0.3066086 -0.0604487 -0.2653831 -2.1038995 32 O -1.6704026 0.0111299 0.0239404 -0.0599332 -1.8642808 0.3066086 0.0604487 0.2653831 -2.1038995 33 O -1.6704026 -0.0111299 0.0239404 0.0599332 -1.8642808 -0.3066086 0.0604487 -0.2653831 -2.1038995 34 O -1.6704026 -0.0111299 -0.0239404 0.0599332 -1.8642808 0.3066086 -0.0604487 0.2653831 -2.1038995 35 O -1.6704026 0.0111299 -0.0239404 -0.0599332 -1.8642808 -0.3066086 -0.0604487 -0.2653831 -2.1038995 36 O -1.6704026 0.0111299 0.0239404 -0.0599332 -1.8642808 0.3066086 0.0604487 0.2653831 -2.1038995 37 O -2.0424599 -0.4185992 0.0000000 -0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 38 O -2.0424599 -0.4185992 0.0000000 -0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 39 O -2.0424599 0.4185992 0.0000000 0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 40 O -2.0424599 0.4185992 0.0000000 0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 09:35:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:35:27]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.456586519999998 Atomic positions (fractional): 1 In 0.77632646138956 0.87244159540531 0.50000000000000 114.818 2 In 0.22367353861044 0.12755840459469 0.50000000000000 114.818 3 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 4 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 5 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 6 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 7 Rb 0.73179391889554 0.24194815127191 0.50000000000000 85.468 8 Rb 0.26820608110446 0.75805184872808 0.50000000000000 85.468 9 Rb 0.00000000000000 0.50000000000000 0.74561840367389 85.468 10 Rb 0.50000000000000 0.00000000000000 0.75438159632611 85.468 11 Rb 0.00000000000000 0.50000000000000 0.25438159632611 85.468 12 Rb 0.50000000000000 0.00000000000000 0.24561840367390 85.468 13 Na 0.48175100793371 0.35283749318538 0.75231777227402 22.990 14 Na 0.51824899206629 0.64716250681462 0.75231777227402 22.990 15 Na 0.98175100793371 0.14716250681462 0.74768222772598 22.990 16 Na 0.01824899206629 0.85283749318538 0.74768222772598 22.990 17 Na 0.51824899206629 0.64716250681462 0.24768222772598 22.990 18 Na 0.48175100793371 0.35283749318538 0.24768222772598 22.990 19 Na 0.01824899206629 0.85283749318538 0.25231777227402 22.990 20 Na 0.98175100793371 0.14716250681462 0.25231777227402 22.990 21 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 22 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 23 Na 0.73538301253189 0.58202903068006 0.50000000000000 22.990 24 Na 0.26461698746811 0.41797096931994 0.50000000000000 22.990 25 O 0.58181438755319 0.77549954630937 0.50000000000000 15.999 26 O 0.41818561244681 0.22450045369063 0.50000000000000 15.999 27 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 28 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 29 O 0.30692847584172 0.51773948256834 0.76518107961496 15.999 30 O 0.69307152415828 0.48226051743166 0.76518107961496 15.999 31 O 0.80692847584172 0.98226051743166 0.73481892038504 15.999 32 O 0.19307152415828 0.01773948256834 0.73481892038504 15.999 33 O 0.69307152415828 0.48226051743166 0.23481892038503 15.999 34 O 0.30692847584172 0.51773948256834 0.23481892038503 15.999 35 O 0.19307152415828 0.01773948256834 0.26518107961497 15.999 36 O 0.80692847584172 0.98226051743166 0.26518107961497 15.999 37 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 38 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 39 O 0.93645532172608 0.72504808791075 0.50000000000000 15.999 40 O 0.06354467827393 0.27495191208925 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.636883299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.787261490000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.913173039999997 Atomic positions (fractional): 1 In 0.77632646138956 0.87244159540531 0.25000000000000 114.818 > 1 2 In 0.77632646138956 0.87244159540531 0.75000000000000 114.818 > 1 3 In 0.22367353861044 0.12755840459469 0.25000000000000 114.818 > 3 4 In 0.22367353861044 0.12755840459469 0.75000000000000 114.818 > 3 5 In 0.27632646138957 0.62755840459469 0.00000000000000 114.818 > 5 6 In 0.27632646138957 0.62755840459469 0.50000000000000 114.818 > 5 7 In 0.72367353861044 0.37244159540531 0.00000000000000 114.818 > 7 8 In 0.72367353861044 0.37244159540531 0.50000000000000 114.818 > 7 9 Rb 0.23179391889554 0.25805184872809 0.00000000000000 85.468 > 9 10 Rb 0.23179391889554 0.25805184872809 0.50000000000000 85.468 > 9 11 Rb 0.76820608110446 0.74194815127192 0.00000000000000 85.468 > 11 12 Rb 0.76820608110446 0.74194815127192 0.50000000000000 85.468 > 11 13 Rb 0.73179391889554 0.24194815127191 0.25000000000000 85.468 > 13 14 Rb 0.73179391889554 0.24194815127191 0.75000000000000 85.468 > 13 15 Rb 0.26820608110446 0.75805184872808 0.25000000000000 85.468 > 15 16 Rb 0.26820608110446 0.75805184872808 0.75000000000000 85.468 > 15 17 Rb 0.00000000000000 0.50000000000000 0.37280920183695 85.468 > 17 18 Rb 0.00000000000000 0.50000000000000 0.87280920183695 85.468 > 17 19 Rb 0.50000000000000 0.00000000000000 0.37719079816305 85.468 > 19 20 Rb 0.50000000000000 0.00000000000000 0.87719079816305 85.468 > 19 21 Rb 0.00000000000000 0.50000000000000 0.12719079816305 85.468 > 21 22 Rb 0.00000000000000 0.50000000000000 0.62719079816305 85.468 > 21 23 Rb 0.50000000000000 0.00000000000000 0.12280920183695 85.468 > 23 24 Rb 0.50000000000000 0.00000000000000 0.62280920183695 85.468 > 23 25 Na 0.48175100793371 0.35283749318538 0.37615888613701 22.990 > 25 26 Na 0.48175100793371 0.35283749318538 0.87615888613701 22.990 > 25 27 Na 0.51824899206629 0.64716250681462 0.37615888613701 22.990 > 27 28 Na 0.51824899206629 0.64716250681462 0.87615888613701 22.990 > 27 29 Na 0.98175100793371 0.14716250681462 0.37384111386299 22.990 > 29 30 Na 0.98175100793371 0.14716250681462 0.87384111386299 22.990 > 29 31 Na 0.01824899206629 0.85283749318538 0.37384111386299 22.990 > 31 32 Na 0.01824899206629 0.85283749318538 0.87384111386299 22.990 > 31 33 Na 0.51824899206629 0.64716250681462 0.12384111386299 22.990 > 33 34 Na 0.51824899206629 0.64716250681462 0.62384111386299 22.990 > 33 35 Na 0.48175100793371 0.35283749318538 0.12384111386299 22.990 > 35 36 Na 0.48175100793371 0.35283749318538 0.62384111386299 22.990 > 35 37 Na 0.01824899206629 0.85283749318538 0.12615888613701 22.990 > 37 38 Na 0.01824899206629 0.85283749318538 0.62615888613701 22.990 > 37 39 Na 0.98175100793371 0.14716250681462 0.12615888613701 22.990 > 39 40 Na 0.98175100793371 0.14716250681462 0.62615888613701 22.990 > 39 41 Na 0.23538301253189 0.91797096931994 0.00000000000000 22.990 > 41 42 Na 0.23538301253189 0.91797096931994 0.50000000000000 22.990 > 41 43 Na 0.76461698746811 0.08202903068006 0.00000000000000 22.990 > 43 44 Na 0.76461698746811 0.08202903068006 0.50000000000000 22.990 > 43 45 Na 0.73538301253189 0.58202903068006 0.25000000000000 22.990 > 45 46 Na 0.73538301253189 0.58202903068006 0.75000000000000 22.990 > 45 47 Na 0.26461698746811 0.41797096931994 0.25000000000000 22.990 > 47 48 Na 0.26461698746811 0.41797096931994 0.75000000000000 22.990 > 47 49 O 0.58181438755319 0.77549954630937 0.25000000000000 15.999 > 49 50 O 0.58181438755319 0.77549954630937 0.75000000000000 15.999 > 49 51 O 0.41818561244681 0.22450045369063 0.25000000000000 15.999 > 51 52 O 0.41818561244681 0.22450045369063 0.75000000000000 15.999 > 51 53 O 0.08181438755319 0.72450045369063 0.00000000000000 15.999 > 53 54 O 0.08181438755319 0.72450045369063 0.50000000000000 15.999 > 53 55 O 0.91818561244681 0.27549954630937 0.00000000000000 15.999 > 55 56 O 0.91818561244681 0.27549954630937 0.50000000000000 15.999 > 55 57 O 0.30692847584172 0.51773948256834 0.38259053980748 15.999 > 57 58 O 0.30692847584172 0.51773948256834 0.88259053980748 15.999 > 57 59 O 0.69307152415828 0.48226051743166 0.38259053980748 15.999 > 59 60 O 0.69307152415828 0.48226051743166 0.88259053980748 15.999 > 59 61 O 0.80692847584172 0.98226051743166 0.36740946019252 15.999 > 61 62 O 0.80692847584172 0.98226051743166 0.86740946019252 15.999 > 61 63 O 0.19307152415828 0.01773948256834 0.36740946019252 15.999 > 63 64 O 0.19307152415828 0.01773948256834 0.86740946019252 15.999 > 63 65 O 0.69307152415828 0.48226051743166 0.11740946019252 15.999 > 65 66 O 0.69307152415828 0.48226051743166 0.61740946019252 15.999 > 65 67 O 0.30692847584172 0.51773948256834 0.11740946019252 15.999 > 67 68 O 0.30692847584172 0.51773948256834 0.61740946019252 15.999 > 67 69 O 0.19307152415828 0.01773948256834 0.13259053980748 15.999 > 69 70 O 0.19307152415828 0.01773948256834 0.63259053980748 15.999 > 69 71 O 0.80692847584172 0.98226051743166 0.13259053980748 15.999 > 71 72 O 0.80692847584172 0.98226051743166 0.63259053980748 15.999 > 71 73 O 0.43645532172607 0.77495191208925 0.00000000000000 15.999 > 73 74 O 0.43645532172607 0.77495191208925 0.50000000000000 15.999 > 73 75 O 0.56354467827392 0.22504808791075 0.00000000000000 15.999 > 75 76 O 0.56354467827392 0.22504808791075 0.50000000000000 15.999 > 75 77 O 0.93645532172608 0.72504808791075 0.25000000000000 15.999 > 77 78 O 0.93645532172608 0.72504808791075 0.75000000000000 15.999 > 77 79 O 0.06354467827393 0.27495191208925 0.25000000000000 15.999 > 79 80 O 0.06354467827393 0.27495191208925 0.75000000000000 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4324649 0.0000000 0.0000000 0.0000000 3.3574730 0.0000000 0.0000000 0.0000000 3.3193650 -------------------------- Born effective charges -------------------------- 1 In 2.3882565 -0.0215142 0.0000000 0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 2 In 2.3882565 -0.0215142 0.0000000 0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 3 In 2.3882565 0.0215142 0.0000000 -0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 4 In 2.3882565 0.0215142 0.0000000 -0.0021678 2.1903788 0.0000000 0.0000000 0.0000000 2.2238113 5 Rb 1.2241431 -0.0198124 0.0000000 0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 6 Rb 1.2241431 -0.0198124 0.0000000 0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 7 Rb 1.2241431 0.0198124 0.0000000 -0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 8 Rb 1.2241431 0.0198124 0.0000000 -0.0089678 1.2211191 0.0000000 0.0000000 0.0000000 1.2177227 9 Rb 1.1515324 0.0454794 0.0000000 0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 10 Rb 1.1515324 -0.0454794 0.0000000 -0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 11 Rb 1.1515324 0.0454794 0.0000000 0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 12 Rb 1.1515324 -0.0454794 0.0000000 -0.1294956 1.1999519 0.0000000 0.0000000 0.0000000 1.0564175 13 Na 1.0442504 0.0109744 0.1249202 -0.0906607 0.9479804 0.1046403 0.0420427 0.1238396 0.9222008 14 Na 1.0442504 0.0109744 -0.1249202 -0.0906607 0.9479804 -0.1046403 -0.0420427 -0.1238396 0.9222008 15 Na 1.0442504 -0.0109744 -0.1249202 0.0906607 0.9479804 0.1046403 -0.0420427 0.1238396 0.9222008 16 Na 1.0442504 -0.0109744 0.1249202 0.0906607 0.9479804 -0.1046403 0.0420427 -0.1238396 0.9222008 17 Na 1.0442504 0.0109744 0.1249202 -0.0906607 0.9479804 0.1046403 0.0420427 0.1238396 0.9222008 18 Na 1.0442504 0.0109744 -0.1249202 -0.0906607 0.9479804 -0.1046403 -0.0420427 -0.1238396 0.9222008 19 Na 1.0442504 -0.0109744 -0.1249202 0.0906607 0.9479804 0.1046403 -0.0420427 0.1238396 0.9222008 20 Na 1.0442504 -0.0109744 0.1249202 0.0906607 0.9479804 -0.1046403 0.0420427 -0.1238396 0.9222008 21 Na 0.8388766 0.0154289 0.0000000 -0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 22 Na 0.8388766 0.0154289 0.0000000 -0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 23 Na 0.8388766 -0.0154289 0.0000000 0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 24 Na 0.8388766 -0.0154289 0.0000000 0.0246333 1.0511973 0.0000000 0.0000000 0.0000000 1.0626992 25 O -2.3080443 -0.2780487 0.0000000 -0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 26 O -2.3080443 -0.2780487 0.0000000 -0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 27 O -2.3080443 0.2780487 0.0000000 0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 28 O -2.3080443 0.2780487 0.0000000 0.1352696 -1.7904915 0.0000000 0.0000000 0.0000000 -1.6106511 29 O -1.6704026 -0.0111299 0.0239404 0.0599332 -1.8642808 -0.3066086 0.0604487 -0.2653831 -2.1038995 30 O -1.6704026 -0.0111299 -0.0239404 0.0599332 -1.8642808 0.3066086 -0.0604487 0.2653831 -2.1038995 31 O -1.6704026 0.0111299 -0.0239404 -0.0599332 -1.8642808 -0.3066086 -0.0604487 -0.2653831 -2.1038995 32 O -1.6704026 0.0111299 0.0239404 -0.0599332 -1.8642808 0.3066086 0.0604487 0.2653831 -2.1038995 33 O -1.6704026 -0.0111299 0.0239404 0.0599332 -1.8642808 -0.3066086 0.0604487 -0.2653831 -2.1038995 34 O -1.6704026 -0.0111299 -0.0239404 0.0599332 -1.8642808 0.3066086 -0.0604487 0.2653831 -2.1038995 35 O -1.6704026 0.0111299 -0.0239404 -0.0599332 -1.8642808 -0.3066086 -0.0604487 -0.2653831 -2.1038995 36 O -1.6704026 0.0111299 0.0239404 -0.0599332 -1.8642808 0.3066086 0.0604487 0.2653831 -2.1038995 37 O -2.0424599 -0.4185992 0.0000000 -0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 38 O -2.0424599 -0.4185992 0.0000000 -0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 39 O -2.0424599 0.4185992 0.0000000 0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 40 O -2.0424599 0.4185992 0.0000000 0.3720914 -2.0395549 0.0000000 0.0000000 0.0000000 -1.5866022 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 ... [ 5 5 7 ] 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: 0.47, Number of G-points: 323, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 2.034 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.708 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.332 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.243 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.270 ( 0.000 0.000 0.000) 0.000 13.457 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 13.916 ( 0.000 0.000 0.000) 0.000 14.168 ( 0.000 0.000 0.000) 0.000 14.431 ( 0.000 0.000 0.000) 0.000 14.839 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.471 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.609 ( 0.000 0.000 0.000) 0.000 16.487 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 16.937 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 22.821 0.000 0.000) 22.821 0.541 ( 25.422 0.000 0.000) 25.422 0.829 ( 38.200 0.000 0.000) 38.200 1.199 ( 2.240 0.000 0.000) 2.240 1.343 ( -0.648 0.000 0.000) 0.648 1.353 ( 4.454 0.000 0.000) 4.454 1.392 ( 4.009 0.000 0.000) 4.009 1.551 ( -5.013 0.000 0.000) 5.013 1.638 ( -1.241 0.000 0.000) 1.241 1.687 ( -0.588 0.000 0.000) 0.588 1.700 ( 5.082 0.000 0.000) 5.082 1.830 ( -1.118 0.000 0.000) 1.118 1.872 ( 0.331 0.000 0.000) 0.331 1.881 ( -1.464 0.000 0.000) 1.464 1.893 ( 3.953 0.000 0.000) 3.953 2.020 ( -1.484 0.000 0.000) 1.484 2.071 ( 0.248 0.000 0.000) 0.248 2.117 ( -6.558 0.000 0.000) 6.558 2.154 ( -11.937 0.000 0.000) 11.937 2.206 ( -5.637 0.000 0.000) 5.637 2.257 ( -5.066 0.000 0.000) 5.066 2.467 ( 6.286 0.000 0.000) 6.286 2.503 ( 5.591 0.000 0.000) 5.591 2.507 ( 5.413 0.000 0.000) 5.413 2.528 ( -5.633 0.000 0.000) 5.633 2.718 ( -1.769 0.000 0.000) 1.769 2.770 ( 0.265 0.000 0.000) 0.265 2.797 ( 1.765 0.000 0.000) 1.765 2.805 ( -2.111 0.000 0.000) 2.111 2.854 ( -6.428 0.000 0.000) 6.428 3.096 ( 1.846 0.000 0.000) 1.846 3.161 ( -3.373 0.000 0.000) 3.373 3.197 ( -12.131 0.000 0.000) 12.131 3.424 ( -3.675 0.000 0.000) 3.675 3.433 ( -1.139 0.000 0.000) 1.139 3.479 ( -9.475 0.000 0.000) 9.475 3.569 ( 1.207 0.000 0.000) 1.207 3.607 ( 5.806 0.000 0.000) 5.806 3.637 ( 4.735 0.000 0.000) 4.735 3.902 ( 5.848 0.000 0.000) 5.848 4.251 ( -4.502 0.000 0.000) 4.502 4.305 ( 1.300 0.000 0.000) 1.300 4.344 ( -1.783 0.000 0.000) 1.783 4.512 ( 5.713 0.000 0.000) 5.713 4.643 ( -5.934 0.000 0.000) 5.934 4.682 ( 0.368 0.000 0.000) 0.368 4.855 ( -2.892 0.000 0.000) 2.892 4.903 ( -10.016 0.000 0.000) 10.016 5.071 ( 7.225 0.000 0.000) 7.225 5.298 ( 6.945 0.000 0.000) 6.945 5.341 ( -2.377 0.000 0.000) 2.377 5.381 ( 2.363 0.000 0.000) 2.363 5.661 ( 2.240 0.000 0.000) 2.240 5.761 ( 4.720 0.000 0.000) 4.720 5.801 ( 3.815 0.000 0.000) 3.815 5.839 ( -2.031 0.000 0.000) 2.031 5.921 ( 4.217 0.000 0.000) 4.217 6.000 ( -2.458 0.000 0.000) 2.458 6.090 ( 2.120 0.000 0.000) 2.120 6.091 ( -2.386 0.000 0.000) 2.386 6.112 ( 1.794 0.000 0.000) 1.794 6.290 ( 3.952 0.000 0.000) 3.952 6.329 ( -4.596 0.000 0.000) 4.596 6.444 ( -1.883 0.000 0.000) 1.883 6.507 ( 1.344 0.000 0.000) 1.344 6.532 ( -5.198 0.000 0.000) 5.198 6.571 ( 1.394 0.000 0.000) 1.394 6.763 ( -5.901 0.000 0.000) 5.901 6.796 ( 6.368 0.000 0.000) 6.368 7.084 ( -4.190 0.000 0.000) 4.190 7.117 ( 6.952 0.000 0.000) 6.952 7.132 ( 6.252 0.000 0.000) 6.252 7.310 ( 3.306 0.000 0.000) 3.306 7.357 ( -6.476 0.000 0.000) 6.476 7.388 ( 5.050 0.000 0.000) 5.050 7.452 ( -2.346 0.000 0.000) 2.346 7.608 ( -5.519 0.000 0.000) 5.519 7.646 ( -7.386 0.000 0.000) 7.386 7.740 ( -8.307 0.000 0.000) 8.307 7.790 ( 2.798 0.000 0.000) 2.798 7.808 ( 1.596 0.000 0.000) 1.596 7.836 ( -5.093 0.000 0.000) 5.093 7.853 ( 5.551 0.000 0.000) 5.551 7.906 ( -0.131 0.000 0.000) 0.131 8.075 ( 0.290 0.000 0.000) 0.290 8.164 ( 0.150 0.000 0.000) 0.150 8.257 ( -1.329 0.000 0.000) 1.329 8.314 ( 4.279 0.000 0.000) 4.279 8.332 ( 2.994 0.000 0.000) 2.994 8.338 ( 5.091 0.000 0.000) 5.091 8.451 ( 0.731 0.000 0.000) 0.731 8.460 ( 6.137 0.000 0.000) 6.137 8.547 ( -2.209 0.000 0.000) 2.209 8.661 ( -3.393 0.000 0.000) 3.393 8.704 ( 0.909 0.000 0.000) 0.909 8.778 ( -5.538 0.000 0.000) 5.538 8.898 ( -1.211 0.000 0.000) 1.211 9.261 ( -9.361 0.000 0.000) 9.361 9.625 ( 3.545 0.000 0.000) 3.545 9.636 ( 3.146 0.000 0.000) 3.146 9.695 ( 4.039 0.000 0.000) 4.039 9.824 ( -1.457 0.000 0.000) 1.457 9.969 ( 0.715 0.000 0.000) 0.715 10.094 ( -1.439 0.000 0.000) 1.439 13.301 ( 2.862 0.000 0.000) 2.862 13.476 ( 0.874 0.000 0.000) 0.874 13.813 ( 0.113 0.000 0.000) 0.113 13.900 ( -1.423 0.000 0.000) 1.423 13.911 ( 5.979 0.000 0.000) 5.979 14.433 ( -0.951 0.000 0.000) 0.951 14.803 ( -2.234 0.000 0.000) 2.234 15.051 ( -4.295 0.000 0.000) 4.295 15.455 ( 0.065 0.000 0.000) 0.065 15.468 ( -0.224 0.000 0.000) 0.224 15.605 ( 0.107 0.000 0.000) 0.107 15.609 ( 0.020 0.000 0.000) 0.020 16.496 ( 0.816 0.000 0.000) 0.816 16.546 ( -0.232 0.000 0.000) 0.232 16.953 ( -0.283 0.000 0.000) 0.283 16.953 ( -0.328 0.000 0.000) 0.328 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 20.213 0.000 0.000) 20.213 1.032 ( 20.777 0.000 0.000) 20.777 1.267 ( 4.144 0.000 0.000) 4.144 1.289 ( -12.277 0.000 0.000) 12.277 1.306 ( -4.123 0.000 0.000) 4.123 1.399 ( -9.315 0.000 0.000) 9.315 1.510 ( 7.661 0.000 0.000) 7.661 1.514 ( 24.408 0.000 0.000) 24.408 1.652 ( 3.365 0.000 0.000) 3.365 1.678 ( -0.542 0.000 0.000) 0.542 1.722 ( -11.019 0.000 0.000) 11.019 1.818 ( -5.927 0.000 0.000) 5.927 1.837 ( 6.029 0.000 0.000) 6.029 1.938 ( -0.821 0.000 0.000) 0.821 1.958 ( -7.501 0.000 0.000) 7.501 1.959 ( 9.538 0.000 0.000) 9.538 1.970 ( -2.867 0.000 0.000) 2.867 2.018 ( 3.354 0.000 0.000) 3.354 2.105 ( -4.305 0.000 0.000) 4.305 2.136 ( 8.205 0.000 0.000) 8.205 2.140 ( -6.603 0.000 0.000) 6.603 2.466 ( 2.091 0.000 0.000) 2.091 2.493 ( -16.447 0.000 0.000) 16.447 2.580 ( -9.818 0.000 0.000) 9.818 2.586 ( 4.961 0.000 0.000) 4.961 2.649 ( 6.227 0.000 0.000) 6.227 2.668 ( -3.012 0.000 0.000) 3.012 2.735 ( -3.120 0.000 0.000) 3.120 2.783 ( 1.117 0.000 0.000) 1.117 2.808 ( -0.761 0.000 0.000) 0.761 3.065 ( -1.145 0.000 0.000) 1.145 3.085 ( -2.964 0.000 0.000) 2.964 3.157 ( 4.503 0.000 0.000) 4.503 3.290 ( -8.164 0.000 0.000) 8.164 3.357 ( -1.130 0.000 0.000) 1.130 3.388 ( -2.832 0.000 0.000) 2.832 3.617 ( 3.342 0.000 0.000) 3.342 3.671 ( -0.520 0.000 0.000) 0.520 3.774 ( 7.860 0.000 0.000) 7.860 3.924 ( -4.874 0.000 0.000) 4.874 4.220 ( 3.011 0.000 0.000) 3.011 4.299 ( -2.587 0.000 0.000) 2.587 4.371 ( 4.730 0.000 0.000) 4.730 4.506 ( -7.128 0.000 0.000) 7.128 4.645 ( 6.717 0.000 0.000) 6.717 4.692 ( 0.813 0.000 0.000) 0.813 4.741 ( -4.819 0.000 0.000) 4.819 4.772 ( -5.181 0.000 0.000) 5.181 5.195 ( 4.700 0.000 0.000) 4.700 5.278 ( -3.517 0.000 0.000) 3.517 5.400 ( 2.804 0.000 0.000) 2.804 5.418 ( 0.786 0.000 0.000) 0.786 5.720 ( 3.157 0.000 0.000) 3.157 5.785 ( -3.020 0.000 0.000) 3.020 5.868 ( 4.624 0.000 0.000) 4.624 5.903 ( 5.624 0.000 0.000) 5.624 5.943 ( -2.975 0.000 0.000) 2.975 6.009 ( -1.766 0.000 0.000) 1.766 6.030 ( 1.963 0.000 0.000) 1.963 6.103 ( -1.909 0.000 0.000) 1.909 6.189 ( 5.900 0.000 0.000) 5.900 6.308 ( 2.709 0.000 0.000) 2.709 6.327 ( -4.781 0.000 0.000) 4.781 6.387 ( -3.697 0.000 0.000) 3.697 6.466 ( 3.678 0.000 0.000) 3.678 6.534 ( 1.216 0.000 0.000) 1.216 6.560 ( -1.261 0.000 0.000) 1.261 6.610 ( -8.082 0.000 0.000) 8.082 6.946 ( 5.332 0.000 0.000) 5.332 7.005 ( -2.599 0.000 0.000) 2.599 7.241 ( 2.837 0.000 0.000) 2.837 7.294 ( 9.180 0.000 0.000) 9.180 7.308 ( 5.256 0.000 0.000) 5.256 7.368 ( -6.475 0.000 0.000) 6.475 7.421 ( 6.746 0.000 0.000) 6.746 7.451 ( -8.904 0.000 0.000) 8.904 7.472 ( -7.632 0.000 0.000) 7.632 7.522 ( 7.334 0.000 0.000) 7.334 7.578 ( -7.746 0.000 0.000) 7.746 7.679 ( -7.576 0.000 0.000) 7.576 7.853 ( 2.209 0.000 0.000) 2.209 7.864 ( 1.630 0.000 0.000) 1.630 7.910 ( 0.530 0.000 0.000) 0.530 7.917 ( 0.486 0.000 0.000) 0.486 8.094 ( 2.073 0.000 0.000) 2.073 8.178 ( -5.439 0.000 0.000) 5.439 8.252 ( 7.985 0.000 0.000) 7.985 8.391 ( -1.067 0.000 0.000) 1.067 8.392 ( 3.003 0.000 0.000) 3.003 8.401 ( 3.688 0.000 0.000) 3.688 8.470 ( -6.308 0.000 0.000) 6.308 8.483 ( -3.835 0.000 0.000) 3.835 8.492 ( 3.374 0.000 0.000) 3.374 8.576 ( -4.409 0.000 0.000) 4.409 8.766 ( 4.293 0.000 0.000) 4.293 8.799 ( 9.459 0.000 0.000) 9.459 8.850 ( -3.374 0.000 0.000) 3.374 9.036 ( -11.825 0.000 0.000) 11.825 9.707 ( 3.963 0.000 0.000) 3.963 9.708 ( 3.125 0.000 0.000) 3.125 9.743 ( 0.154 0.000 0.000) 0.154 9.779 ( -2.849 0.000 0.000) 2.849 9.999 ( 2.244 0.000 0.000) 2.244 10.052 ( -2.511 0.000 0.000) 2.511 13.378 ( 4.231 0.000 0.000) 4.231 13.457 ( -2.806 0.000 0.000) 2.806 13.829 ( 1.384 0.000 0.000) 1.384 13.864 ( -1.843 0.000 0.000) 1.843 14.097 ( 11.333 0.000 0.000) 11.333 14.329 ( -9.361 0.000 0.000) 9.361 14.816 ( 3.993 0.000 0.000) 3.993 14.934 ( -6.389 0.000 0.000) 6.389 15.458 ( 0.179 0.000 0.000) 0.179 15.463 ( -0.275 0.000 0.000) 0.275 15.607 ( 0.116 0.000 0.000) 0.116 15.609 ( -0.039 0.000 0.000) 0.039 16.517 ( 1.067 0.000 0.000) 1.067 16.536 ( -0.706 0.000 0.000) 0.706 16.947 ( -0.191 0.000 0.000) 0.191 16.947 ( -0.191 0.000 0.000) 0.191 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 23.135 0.000) 23.135 0.494 ( 0.000 23.027 0.000) 23.027 0.932 ( 0.000 43.573 0.000) 43.573 1.170 ( 0.000 -0.788 0.000) 0.788 1.302 ( 0.000 0.910 0.000) 0.910 1.332 ( 0.000 0.148 0.000) 0.148 1.403 ( 0.000 2.980 0.000) 2.980 1.449 ( 0.000 0.992 0.000) 0.992 1.551 ( 0.000 -4.068 0.000) 4.068 1.647 ( 0.000 -1.019 0.000) 1.019 1.760 ( 0.000 -7.750 0.000) 7.750 1.799 ( 0.000 -0.616 0.000) 0.616 1.819 ( 0.000 1.571 0.000) 1.571 1.878 ( 0.000 -1.545 0.000) 1.545 1.941 ( 0.000 9.139 0.000) 9.139 1.965 ( 0.000 -8.572 0.000) 8.572 2.127 ( 0.000 7.411 0.000) 7.411 2.270 ( 0.000 -0.661 0.000) 0.661 2.327 ( 0.000 8.151 0.000) 8.151 2.327 ( 0.000 -1.080 0.000) 1.080 2.333 ( 0.000 -1.055 0.000) 1.055 2.359 ( 0.000 -0.114 0.000) 0.114 2.383 ( 0.000 2.669 0.000) 2.669 2.544 ( 0.000 6.103 0.000) 6.103 2.702 ( 0.000 -3.518 0.000) 3.518 2.727 ( 0.000 6.318 0.000) 6.318 2.762 ( 0.000 -0.401 0.000) 0.401 2.762 ( 0.000 -0.458 0.000) 0.458 2.810 ( 0.000 -0.231 0.000) 0.231 3.040 ( 0.000 -4.671 0.000) 4.671 3.118 ( 0.000 -3.405 0.000) 3.405 3.130 ( 0.000 5.431 0.000) 5.431 3.266 ( 0.000 -13.954 0.000) 13.954 3.372 ( 0.000 0.024 0.000) 0.024 3.435 ( 0.000 -1.037 0.000) 1.037 3.582 ( 0.000 -3.876 0.000) 3.876 3.590 ( 0.000 3.705 0.000) 3.705 3.627 ( 0.000 3.820 0.000) 3.820 3.641 ( 0.000 0.198 0.000) 0.198 3.836 ( 0.000 4.077 0.000) 4.077 4.117 ( 0.000 -9.566 0.000) 9.566 4.283 ( 0.000 -5.135 0.000) 5.135 4.355 ( 0.000 -3.901 0.000) 3.901 4.356 ( 0.000 -4.634 0.000) 4.634 4.641 ( 0.000 1.289 0.000) 1.289 4.769 ( 0.000 -0.754 0.000) 0.754 4.896 ( 0.000 -4.191 0.000) 4.191 4.949 ( 0.000 1.935 0.000) 1.935 5.047 ( 0.000 -6.038 0.000) 6.038 5.214 ( 0.000 7.315 0.000) 7.315 5.282 ( 0.000 -6.619 0.000) 6.619 5.396 ( 0.000 2.986 0.000) 2.986 5.633 ( 0.000 -0.313 0.000) 0.313 5.726 ( 0.000 -2.245 0.000) 2.245 5.738 ( 0.000 3.345 0.000) 3.345 5.819 ( 0.000 4.511 0.000) 4.511 5.931 ( 0.000 5.306 0.000) 5.306 6.056 ( 0.000 2.389 0.000) 2.389 6.080 ( 0.000 -1.676 0.000) 1.676 6.089 ( 0.000 -2.491 0.000) 2.491 6.115 ( 0.000 3.580 0.000) 3.580 6.259 ( 0.000 1.108 0.000) 1.108 6.410 ( 0.000 -3.544 0.000) 3.544 6.450 ( 0.000 -1.648 0.000) 1.648 6.511 ( 0.000 -6.728 0.000) 6.728 6.535 ( 0.000 4.561 0.000) 4.561 6.672 ( 0.000 0.235 0.000) 0.235 6.726 ( 0.000 -8.310 0.000) 8.310 6.759 ( 0.000 2.424 0.000) 2.424 7.072 ( 0.000 3.192 0.000) 3.192 7.116 ( 0.000 1.551 0.000) 1.551 7.222 ( 0.000 6.861 0.000) 6.861 7.232 ( 0.000 -1.981 0.000) 1.981 7.401 ( 0.000 3.869 0.000) 3.869 7.486 ( 0.000 -0.276 0.000) 0.276 7.621 ( 0.000 -6.085 0.000) 6.085 7.680 ( 0.000 -7.256 0.000) 7.256 7.709 ( 0.000 0.074 0.000) 0.074 7.739 ( 0.000 2.751 0.000) 2.751 7.758 ( 0.000 -0.889 0.000) 0.889 7.811 ( 0.000 1.809 0.000) 1.809 7.824 ( 0.000 -0.644 0.000) 0.644 7.972 ( 0.000 -7.524 0.000) 7.524 7.983 ( 0.000 4.687 0.000) 4.687 7.997 ( 0.000 6.923 0.000) 6.923 8.087 ( 0.000 -0.942 0.000) 0.942 8.243 ( 0.000 -1.892 0.000) 1.892 8.277 ( 0.000 3.507 0.000) 3.507 8.311 ( 0.000 0.946 0.000) 0.946 8.385 ( 0.000 0.431 0.000) 0.431 8.412 ( 0.000 -2.054 0.000) 2.054 8.467 ( 0.000 -0.115 0.000) 0.115 8.616 ( 0.000 2.873 0.000) 2.873 8.694 ( 0.000 -0.151 0.000) 0.151 8.743 ( 0.000 -9.111 0.000) 9.111 8.760 ( 0.000 -3.259 0.000) 3.259 8.843 ( 0.000 11.135 0.000) 11.135 9.014 ( 0.000 9.829 0.000) 9.829 9.528 ( 0.000 -5.295 0.000) 5.295 9.608 ( 0.000 0.875 0.000) 0.875 9.683 ( 0.000 3.236 0.000) 3.236 9.768 ( 0.000 -6.820 0.000) 6.820 9.971 ( 0.000 2.002 0.000) 2.002 10.405 ( 0.000 -4.919 0.000) 4.919 13.132 ( 0.000 2.112 0.000) 2.112 13.354 ( 0.000 -4.548 0.000) 4.548 13.549 ( 0.000 4.805 0.000) 4.805 13.861 ( 0.000 3.903 0.000) 3.903 13.868 ( 0.000 -4.238 0.000) 4.238 14.149 ( 0.000 -2.117 0.000) 2.117 14.876 ( 0.000 3.577 0.000) 3.577 15.257 ( 0.000 -5.182 0.000) 5.182 15.457 ( 0.000 0.235 0.000) 0.235 15.470 ( 0.000 -0.058 0.000) 0.058 15.605 ( 0.000 0.093 0.000) 0.093 15.609 ( 0.000 0.004 0.000) 0.004 16.598 ( 0.000 4.607 0.000) 4.607 16.788 ( 0.000 1.540 0.000) 1.540 16.913 ( 0.000 -2.469 0.000) 2.469 16.933 ( 0.000 -1.985 0.000) 1.985 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 17.440 14.095 0.000) 22.423 0.740 ( 17.560 15.451 0.000) 23.389 1.180 ( 1.216 -1.407 0.000) 1.859 1.195 ( 22.522 31.495 0.000) 38.720 1.346 ( 0.446 0.451 0.000) 0.634 1.383 ( 6.214 1.301 0.000) 6.349 1.412 ( 1.700 1.356 0.000) 2.174 1.509 ( -4.016 -3.051 0.000) 5.043 1.614 ( 10.331 -2.256 0.000) 10.575 1.658 ( -0.462 1.292 0.000) 1.373 1.750 ( -2.887 2.217 0.000) 3.640 1.811 ( 4.469 -7.239 0.000) 8.507 1.812 ( 0.120 -3.028 0.000) 3.031 1.871 ( 1.181 -1.671 0.000) 2.046 1.917 ( -3.216 6.960 0.000) 7.667 1.995 ( 1.297 -5.009 0.000) 5.174 2.113 ( -1.549 7.453 0.000) 7.612 2.167 ( -6.357 3.941 0.000) 7.479 2.186 ( -4.850 0.272 0.000) 4.858 2.219 ( -8.495 4.401 0.000) 9.567 2.295 ( -4.409 2.458 0.000) 5.048 2.441 ( 0.199 1.266 0.000) 1.282 2.467 ( 5.383 -0.282 0.000) 5.390 2.569 ( 2.867 4.595 0.000) 5.416 2.659 ( -3.653 4.995 0.000) 6.188 2.685 ( -1.604 -3.328 0.000) 3.694 2.766 ( 0.546 -0.236 0.000) 0.595 2.792 ( 1.883 -0.454 0.000) 1.937 2.823 ( -0.838 1.323 0.000) 1.566 2.914 ( -9.245 2.806 0.000) 9.661 3.079 ( -1.522 -6.803 0.000) 6.971 3.131 ( 0.252 3.491 0.000) 3.500 3.223 ( -9.899 -0.536 0.000) 9.913 3.342 ( 1.771 -8.776 0.000) 8.953 3.420 ( -0.817 -2.513 0.000) 2.642 3.455 ( -8.971 -2.541 0.000) 9.324 3.500 ( -4.329 1.279 0.000) 4.514 3.661 ( 0.024 0.260 0.000) 0.261 3.679 ( 4.509 3.842 0.000) 5.923 3.921 ( 5.054 2.112 0.000) 5.478 4.117 ( -0.197 -8.319 0.000) 8.322 4.277 ( -0.214 -5.036 0.000) 5.040 4.318 ( -3.173 -4.461 0.000) 5.474 4.427 ( 4.017 -6.952 0.000) 8.029 4.666 ( 2.327 2.433 0.000) 3.367 4.675 ( -5.053 1.936 0.000) 5.411 4.847 ( -3.150 -1.641 0.000) 3.552 4.976 ( -6.033 3.049 0.000) 6.760 5.057 ( 6.571 -0.643 0.000) 6.602 5.242 ( 3.270 -1.795 0.000) 3.730 5.268 ( -1.269 -5.700 0.000) 5.839 5.419 ( 0.880 1.211 0.000) 1.497 5.665 ( 2.771 0.267 0.000) 2.784 5.757 ( 1.623 -3.596 0.000) 3.946 5.790 ( 4.436 3.048 0.000) 5.383 5.849 ( 2.731 3.877 0.000) 4.743 5.980 ( 4.257 5.016 0.000) 6.579 6.022 ( -2.624 2.006 0.000) 3.303 6.075 ( -1.423 -1.432 0.000) 2.019 6.092 ( 1.146 -1.902 0.000) 2.221 6.138 ( 1.509 2.855 0.000) 3.229 6.299 ( 2.058 -1.004 0.000) 2.289 6.369 ( -3.093 0.334 0.000) 3.111 6.435 ( -1.495 -1.405 0.000) 2.051 6.453 ( -3.061 -4.350 0.000) 5.319 6.542 ( 0.277 3.183 0.000) 3.195 6.636 ( -2.678 3.714 0.000) 4.579 6.724 ( -1.272 -4.242 0.000) 4.428 6.787 ( 4.182 0.656 0.000) 4.233 7.102 ( -2.704 -0.926 0.000) 2.858 7.149 ( 6.572 2.762 0.000) 7.128 7.234 ( 1.164 0.890 0.000) 1.465 7.249 ( 3.012 4.458 0.000) 5.380 7.384 ( -10.326 2.210 0.000) 10.560 7.421 ( 2.374 2.201 0.000) 3.237 7.516 ( -2.483 5.473 0.000) 6.010 7.567 ( -4.314 -3.994 0.000) 5.879 7.597 ( -7.084 -4.107 0.000) 8.189 7.701 ( -1.529 -3.512 0.000) 3.830 7.779 ( -6.037 2.659 0.000) 6.597 7.798 ( 3.409 -0.251 0.000) 3.418 7.883 ( 3.787 0.189 0.000) 3.792 7.931 ( -3.419 4.702 0.000) 5.814 7.950 ( 1.803 4.738 0.000) 5.070 7.989 ( 1.056 -6.189 0.000) 6.278 8.144 ( -0.383 -2.122 0.000) 2.156 8.225 ( -2.607 -3.171 0.000) 4.105 8.332 ( 1.833 0.149 0.000) 1.839 8.344 ( 1.299 -0.547 0.000) 1.409 8.379 ( 2.582 4.387 0.000) 5.090 8.407 ( -0.216 -2.340 0.000) 2.350 8.476 ( 6.293 2.885 0.000) 6.923 8.602 ( -1.236 3.002 0.000) 3.246 8.659 ( -2.793 0.141 0.000) 2.797 8.688 ( -3.517 -7.566 0.000) 8.343 8.856 ( 1.457 12.084 0.000) 12.172 9.005 ( -0.987 9.935 0.000) 9.984 9.039 ( 5.579 -13.688 0.000) 14.781 9.567 ( 3.364 -5.507 0.000) 6.453 9.645 ( 3.226 0.864 0.000) 3.339 9.714 ( 3.551 2.145 0.000) 4.148 9.754 ( -1.338 -6.698 0.000) 6.830 9.953 ( -1.330 0.765 0.000) 1.534 10.212 ( -9.941 2.716 0.000) 10.305 13.270 ( 4.734 -1.901 0.000) 5.101 13.409 ( 2.064 -5.883 0.000) 6.235 13.731 ( 10.398 -1.873 0.000) 10.565 13.875 ( 1.417 3.222 0.000) 3.520 13.973 ( 7.075 -1.499 0.000) 7.232 14.197 ( 5.958 -8.706 0.000) 10.549 14.812 ( -5.307 2.204 0.000) 5.746 15.105 ( -10.973 -1.764 0.000) 11.114 15.458 ( 0.043 0.213 0.000) 0.217 15.468 ( -0.189 -0.022 0.000) 0.191 15.606 ( 0.089 0.075 0.000) 0.117 15.609 ( 0.018 0.002 0.000) 0.018 16.596 ( -0.230 4.767 0.000) 4.772 16.658 ( -5.500 8.399 0.000) 10.039 16.921 ( -0.046 -2.937 0.000) 2.938 16.931 ( -0.369 -2.135 0.000) 2.167 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 15.309 3.950 0.000) 15.810 1.101 ( 16.786 11.621 0.000) 20.417 1.220 ( 1.640 -2.846 0.000) 3.285 1.329 ( -1.602 1.020 0.000) 1.899 1.379 ( -6.411 -1.299 0.000) 6.542 1.397 ( -9.316 7.902 0.000) 12.216 1.520 ( 7.576 1.588 0.000) 7.740 1.590 ( 5.276 1.244 0.000) 5.421 1.618 ( 2.714 -0.972 0.000) 2.883 1.730 ( 6.562 6.976 0.000) 9.577 1.745 ( -12.166 2.281 0.000) 12.378 1.836 ( 1.131 0.903 0.000) 1.447 1.859 ( 4.029 2.062 0.000) 4.526 1.927 ( 5.729 -3.411 0.000) 6.668 1.951 ( -0.903 3.450 0.000) 3.566 2.012 ( 12.441 3.740 0.000) 12.991 2.050 ( -6.164 0.353 0.000) 6.174 2.093 ( -0.063 9.044 0.000) 9.044 2.122 ( -2.093 7.232 0.000) 7.528 2.129 ( 3.754 1.721 0.000) 4.130 2.207 ( -3.410 4.088 0.000) 5.324 2.401 ( -1.338 -1.248 0.000) 1.829 2.542 ( -9.910 1.351 0.000) 10.001 2.569 ( 4.179 -1.939 0.000) 4.607 2.571 ( -12.560 -0.158 0.000) 12.561 2.639 ( -2.707 -2.870 0.000) 3.945 2.703 ( 2.153 4.863 0.000) 5.318 2.786 ( 1.366 0.337 0.000) 1.407 2.788 ( -4.086 3.677 0.000) 5.497 2.810 ( -0.431 0.114 0.000) 0.446 3.054 ( -0.143 -3.251 0.000) 3.254 3.077 ( -2.466 0.701 0.000) 2.564 3.161 ( 3.215 0.428 0.000) 3.243 3.275 ( -7.583 -1.547 0.000) 7.739 3.359 ( -0.013 -0.501 0.000) 0.502 3.404 ( -3.952 1.213 0.000) 4.134 3.481 ( 6.417 -11.614 0.000) 13.269 3.616 ( -5.020 -5.831 0.000) 7.694 3.804 ( 7.051 2.798 0.000) 7.586 3.937 ( -4.379 1.066 0.000) 4.507 4.150 ( 4.101 -5.155 0.000) 6.588 4.242 ( -4.131 -5.265 0.000) 6.692 4.316 ( 4.413 -4.721 0.000) 6.462 4.427 ( -4.600 -6.972 0.000) 8.353 4.660 ( 4.005 1.347 0.000) 4.225 4.735 ( 4.335 5.279 0.000) 6.831 4.765 ( -4.911 -0.853 0.000) 4.984 4.844 ( -6.031 7.016 0.000) 9.252 5.168 ( 4.000 -1.970 0.000) 4.459 5.231 ( -2.292 -3.576 0.000) 4.248 5.330 ( 4.479 -5.097 0.000) 6.786 5.405 ( -2.306 -2.616 0.000) 3.487 5.728 ( 2.801 0.621 0.000) 2.869 5.768 ( -0.792 -1.048 0.000) 1.313 5.888 ( 4.341 2.072 0.000) 4.810 5.927 ( 4.433 2.225 0.000) 4.961 5.962 ( -3.041 1.897 0.000) 3.584 6.013 ( -3.321 0.266 0.000) 3.331 6.092 ( 4.590 5.198 0.000) 6.935 6.139 ( 3.643 -3.849 0.000) 5.300 6.155 ( -0.712 3.345 0.000) 3.420 6.242 ( -5.706 -6.826 0.000) 8.897 6.336 ( 0.726 2.054 0.000) 2.178 6.387 ( -3.042 -0.307 0.000) 3.058 6.508 ( 6.703 3.706 0.000) 7.659 6.547 ( 0.537 1.565 0.000) 1.655 6.576 ( -2.411 1.783 0.000) 2.999 6.648 ( -5.837 1.546 0.000) 6.038 6.920 ( 6.738 -0.956 0.000) 6.806 7.024 ( -3.997 -0.247 0.000) 4.004 7.203 ( -0.849 -3.986 0.000) 4.076 7.263 ( -4.144 -4.526 0.000) 6.136 7.305 ( 7.698 1.202 0.000) 7.792 7.357 ( 4.782 5.679 0.000) 7.424 7.446 ( -5.479 0.315 0.000) 5.488 7.452 ( -6.142 -1.109 0.000) 6.242 7.513 ( 5.654 -1.329 0.000) 5.808 7.525 ( 3.532 5.382 0.000) 6.437 7.635 ( -5.018 -3.363 0.000) 6.041 7.647 ( -6.679 5.355 0.000) 8.561 7.863 ( 2.257 0.070 0.000) 2.259 7.886 ( -0.688 2.586 0.000) 2.676 7.937 ( 2.081 2.232 0.000) 3.052 7.976 ( -0.974 4.363 0.000) 4.471 8.023 ( 2.768 -5.296 0.000) 5.975 8.123 ( -6.225 -4.497 0.000) 7.680 8.194 ( 6.228 -5.290 0.000) 8.171 8.327 ( -4.044 -6.894 0.000) 7.993 8.377 ( 2.239 -1.165 0.000) 2.524 8.407 ( -0.329 -2.423 0.000) 2.446 8.438 ( 2.068 3.521 0.000) 4.083 8.485 ( -3.208 2.993 0.000) 4.387 8.579 ( -0.415 2.966 0.000) 2.995 8.601 ( -2.372 1.256 0.000) 2.683 8.769 ( 10.005 -2.552 0.000) 10.325 8.907 ( 3.138 11.987 0.000) 12.391 8.969 ( -2.537 10.696 0.000) 10.993 8.975 ( -8.450 -5.487 0.000) 10.075 9.645 ( 3.735 -5.946 0.000) 7.022 9.712 ( -2.652 -6.378 0.000) 6.907 9.724 ( 3.855 1.574 0.000) 4.164 9.774 ( 0.127 2.723 0.000) 2.726 9.957 ( 2.873 -2.781 0.000) 3.998 10.057 ( -5.948 -0.755 0.000) 5.996 13.352 ( 3.507 -1.980 0.000) 4.027 13.410 ( -1.728 -3.748 0.000) 4.127 13.860 ( 3.074 2.902 0.000) 4.227 13.898 ( -0.418 2.689 0.000) 2.721 14.123 ( 9.466 1.944 0.000) 9.663 14.284 ( -2.335 -3.927 0.000) 4.569 14.744 ( 1.801 -4.377 0.000) 4.733 14.884 ( -9.687 -4.896 0.000) 10.854 15.460 ( 0.139 0.150 0.000) 0.204 15.464 ( -0.228 0.062 0.000) 0.236 15.608 ( 0.097 0.037 0.000) 0.104 15.609 ( -0.032 0.009 0.000) 0.033 16.592 ( 0.016 5.482 0.000) 5.482 16.602 ( -1.020 6.221 0.000) 6.304 16.918 ( -0.046 -2.743 0.000) 2.743 16.922 ( -0.374 -2.480 0.000) 2.508 ======================= Grid point 10 (7/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 16.467 0.000) 16.467 0.932 ( 0.000 20.319 0.000) 20.319 1.123 ( 0.000 -4.876 0.000) 4.876 1.250 ( 0.000 -8.462 0.000) 8.462 1.360 ( 0.000 3.100 0.000) 3.100 1.459 ( 0.000 -5.122 0.000) 5.122 1.463 ( 0.000 3.188 0.000) 3.188 1.472 ( 0.000 1.369 0.000) 1.369 1.536 ( 0.000 -5.083 0.000) 5.083 1.573 ( 0.000 -8.630 0.000) 8.630 1.663 ( 0.000 16.014 0.000) 16.014 1.775 ( 0.000 -1.861 0.000) 1.861 1.838 ( 0.000 -0.066 0.000) 0.066 1.848 ( 0.000 -1.035 0.000) 1.035 1.973 ( 0.000 18.559 0.000) 18.559 2.148 ( 0.000 9.052 0.000) 9.052 2.234 ( 0.000 1.061 0.000) 1.061 2.289 ( 0.000 1.016 0.000) 1.016 2.301 ( 0.000 -1.236 0.000) 1.236 2.321 ( 0.000 -2.960 0.000) 2.960 2.387 ( 0.000 2.137 0.000) 2.137 2.446 ( 0.000 5.298 0.000) 5.298 2.540 ( 0.000 -11.706 0.000) 11.706 2.562 ( 0.000 13.316 0.000) 13.316 2.591 ( 0.000 -7.105 0.000) 7.105 2.751 ( 0.000 -4.949 0.000) 4.949 2.754 ( 0.000 -0.256 0.000) 0.256 2.754 ( 0.000 -0.288 0.000) 0.288 2.823 ( 0.000 3.404 0.000) 3.404 2.959 ( 0.000 -4.642 0.000) 4.642 2.967 ( 0.000 -7.438 0.000) 7.438 3.031 ( 0.000 -4.658 0.000) 4.658 3.285 ( 0.000 9.075 0.000) 9.075 3.379 ( 0.000 0.680 0.000) 0.680 3.404 ( 0.000 -1.679 0.000) 1.679 3.464 ( 0.000 -7.625 0.000) 7.625 3.654 ( 0.000 1.901 0.000) 1.901 3.655 ( 0.000 1.058 0.000) 1.058 3.742 ( 0.000 7.289 0.000) 7.289 3.918 ( 0.000 -9.611 0.000) 9.611 3.960 ( 0.000 8.071 0.000) 8.071 4.162 ( 0.000 -11.232 0.000) 11.232 4.201 ( 0.000 -1.072 0.000) 1.072 4.256 ( 0.000 -5.138 0.000) 5.138 4.750 ( 0.000 7.317 0.000) 7.317 4.752 ( 0.000 0.282 0.000) 0.282 4.801 ( 0.000 -4.227 0.000) 4.227 4.905 ( 0.000 -7.524 0.000) 7.524 5.027 ( 0.000 5.166 0.000) 5.166 5.145 ( 0.000 -6.323 0.000) 6.323 5.353 ( 0.000 5.516 0.000) 5.516 5.422 ( 0.000 -0.995 0.000) 0.995 5.640 ( 0.000 1.116 0.000) 1.116 5.677 ( 0.000 -2.326 0.000) 2.326 5.856 ( 0.000 7.894 0.000) 7.894 5.923 ( 0.000 5.160 0.000) 5.160 6.011 ( 0.000 -5.738 0.000) 5.738 6.019 ( 0.000 -4.021 0.000) 4.021 6.054 ( 0.000 5.740 0.000) 5.740 6.123 ( 0.000 4.168 0.000) 4.168 6.142 ( 0.000 -1.914 0.000) 1.914 6.228 ( 0.000 -5.304 0.000) 5.304 6.371 ( 0.000 0.471 0.000) 0.471 6.408 ( 0.000 -2.346 0.000) 2.346 6.432 ( 0.000 1.993 0.000) 1.993 6.549 ( 0.000 -8.042 0.000) 8.042 6.622 ( 0.000 3.250 0.000) 3.250 6.665 ( 0.000 -1.086 0.000) 1.086 6.863 ( 0.000 7.546 0.000) 7.546 7.031 ( 0.000 -7.872 0.000) 7.872 7.174 ( 0.000 6.709 0.000) 6.709 7.308 ( 0.000 7.387 0.000) 7.387 7.335 ( 0.000 -8.294 0.000) 8.294 7.349 ( 0.000 4.665 0.000) 4.665 7.447 ( 0.000 -2.710 0.000) 2.710 7.507 ( 0.000 -8.857 0.000) 8.857 7.634 ( 0.000 5.503 0.000) 5.503 7.706 ( 0.000 -0.822 0.000) 0.822 7.752 ( 0.000 0.479 0.000) 0.479 7.818 ( 0.000 1.640 0.000) 1.640 7.821 ( 0.000 0.307 0.000) 0.307 7.821 ( 0.000 -6.544 0.000) 6.544 7.884 ( 0.000 6.602 0.000) 6.602 8.018 ( 0.000 -5.401 0.000) 5.401 8.081 ( 0.000 4.943 0.000) 4.943 8.169 ( 0.000 9.658 0.000) 9.658 8.178 ( 0.000 -4.257 0.000) 4.257 8.326 ( 0.000 -1.871 0.000) 1.871 8.335 ( 0.000 1.500 0.000) 1.500 8.371 ( 0.000 -1.902 0.000) 1.902 8.398 ( 0.000 0.874 0.000) 0.874 8.440 ( 0.000 -3.712 0.000) 3.712 8.595 ( 0.000 -0.867 0.000) 0.867 8.662 ( 0.000 1.659 0.000) 1.659 8.670 ( 0.000 -5.200 0.000) 5.200 8.686 ( 0.000 -0.718 0.000) 0.718 9.097 ( 0.000 12.393 0.000) 12.393 9.238 ( 0.000 6.897 0.000) 6.897 9.399 ( 0.000 -3.099 0.000) 3.099 9.574 ( 0.000 -11.589 0.000) 11.589 9.640 ( 0.000 2.325 0.000) 2.325 9.692 ( 0.000 -2.076 0.000) 2.076 10.084 ( 0.000 8.376 0.000) 8.376 10.265 ( 0.000 -8.415 0.000) 8.415 13.190 ( 0.000 3.380 0.000) 3.380 13.266 ( 0.000 -4.042 0.000) 4.042 13.651 ( 0.000 5.271 0.000) 5.271 13.763 ( 0.000 -5.593 0.000) 5.593 13.964 ( 0.000 5.723 0.000) 5.723 14.076 ( 0.000 -4.849 0.000) 4.849 14.980 ( 0.000 6.404 0.000) 6.404 15.124 ( 0.000 -7.253 0.000) 7.253 15.463 ( 0.000 0.285 0.000) 0.285 15.468 ( 0.000 -0.177 0.000) 0.177 15.607 ( 0.000 0.109 0.000) 0.109 15.609 ( 0.000 -0.048 0.000) 0.048 16.714 ( 0.000 6.189 0.000) 6.189 16.831 ( 0.000 2.530 0.000) 2.530 16.833 ( 0.000 -5.128 0.000) 5.128 16.885 ( 0.000 -2.633 0.000) 2.633 ======================= Grid point 11 (8/36) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 7.452 11.335 0.000) 13.565 1.059 ( 10.685 15.415 0.000) 18.756 1.140 ( 1.457 -3.263 0.000) 3.573 1.322 ( 6.242 -8.649 0.000) 10.666 1.372 ( 0.029 2.216 0.000) 2.217 1.418 ( -2.168 -1.593 0.000) 2.690 1.485 ( 1.652 2.709 0.000) 3.173 1.602 ( 10.668 1.353 0.000) 10.753 1.625 ( 5.199 -9.663 0.000) 10.973 1.642 ( 5.665 0.343 0.000) 5.675 1.693 ( 2.266 2.740 0.000) 3.556 1.724 ( -3.407 -2.338 0.000) 4.132 1.848 ( 1.824 2.237 0.000) 2.886 1.897 ( 3.447 -2.053 0.000) 4.012 2.025 ( 7.182 24.501 0.000) 25.532 2.052 ( -7.463 5.510 0.000) 9.277 2.141 ( -7.212 -3.284 0.000) 7.924 2.259 ( -4.125 2.107 0.000) 4.632 2.285 ( 1.476 8.071 0.000) 8.205 2.345 ( -3.287 3.443 0.000) 4.760 2.369 ( 0.555 5.307 0.000) 5.336 2.447 ( 1.308 0.383 0.000) 1.363 2.562 ( -1.935 6.122 0.000) 6.420 2.579 ( -1.189 -7.009 0.000) 7.109 2.594 ( 4.316 -6.180 0.000) 7.538 2.682 ( -6.049 -2.143 0.000) 6.417 2.766 ( 1.242 0.330 0.000) 1.285 2.779 ( 1.842 -0.784 0.000) 2.002 2.835 ( 0.591 -0.379 0.000) 0.702 2.935 ( -2.008 -1.744 0.000) 2.659 2.942 ( -5.168 -1.113 0.000) 5.286 2.984 ( 1.270 -13.647 0.000) 13.706 3.235 ( -3.749 6.416 0.000) 7.431 3.332 ( -5.861 2.899 0.000) 6.539 3.369 ( -7.314 -5.855 0.000) 9.369 3.382 ( -2.564 -1.972 0.000) 3.235 3.547 ( -5.963 3.224 0.000) 6.779 3.622 ( -4.918 -3.427 0.000) 5.994 3.787 ( 3.761 6.601 0.000) 7.598 3.939 ( 1.449 -7.601 0.000) 7.738 4.006 ( 3.404 5.171 0.000) 6.191 4.159 ( -0.636 -8.863 0.000) 8.886 4.203 ( 0.475 -0.591 0.000) 0.758 4.275 ( 1.179 -6.799 0.000) 6.900 4.717 ( -2.288 2.580 0.000) 3.448 4.783 ( 3.151 7.430 0.000) 8.071 4.785 ( -1.661 -3.814 0.000) 4.160 4.931 ( 2.116 -6.239 0.000) 6.588 5.076 ( 3.696 2.627 0.000) 4.535 5.155 ( 0.813 -4.899 0.000) 4.966 5.297 ( -4.092 5.572 0.000) 6.913 5.397 ( -2.717 -3.362 0.000) 4.323 5.676 ( 3.116 0.974 0.000) 3.265 5.706 ( 2.449 -1.860 0.000) 3.075 5.889 ( 2.741 6.399 0.000) 6.961 5.940 ( 1.550 4.530 0.000) 4.787 6.020 ( 0.866 -5.186 0.000) 5.258 6.021 ( -0.006 -3.119 0.000) 3.119 6.083 ( -2.928 3.636 0.000) 4.668 6.097 ( 3.931 4.942 0.000) 6.315 6.165 ( 1.886 -1.004 0.000) 2.137 6.188 ( -3.602 -6.816 0.000) 7.709 6.367 ( -0.241 0.617 0.000) 0.663 6.398 ( -0.984 -1.961 0.000) 2.195 6.477 ( 4.481 4.989 0.000) 6.706 6.603 ( 3.387 -6.751 0.000) 7.553 6.617 ( -0.660 3.409 0.000) 3.473 6.663 ( -0.790 -0.825 0.000) 1.142 6.856 ( 0.497 5.963 0.000) 5.984 7.001 ( -2.133 -7.284 0.000) 7.590 7.229 ( 4.932 5.241 0.000) 7.197 7.248 ( -3.770 3.608 0.000) 5.218 7.346 ( -6.532 -4.981 0.000) 8.214 7.361 ( 2.455 -7.052 0.000) 7.467 7.427 ( 3.090 7.230 0.000) 7.862 7.525 ( -2.090 -3.095 0.000) 3.735 7.573 ( -4.191 4.223 0.000) 5.950 7.650 ( -4.040 -2.708 0.000) 4.864 7.663 ( -5.904 7.470 0.000) 9.522 7.795 ( -1.659 -4.134 0.000) 4.454 7.806 ( 3.648 1.357 0.000) 3.892 7.867 ( 2.985 -4.678 0.000) 5.549 7.918 ( 1.349 6.152 0.000) 6.298 8.014 ( 1.716 -0.587 0.000) 1.814 8.035 ( -4.004 5.029 0.000) 6.428 8.128 ( -2.831 2.721 0.000) 3.927 8.138 ( -3.965 -4.931 0.000) 6.328 8.257 ( -6.183 -7.628 0.000) 9.819 8.343 ( 0.818 0.951 0.000) 1.255 8.369 ( 0.089 -1.524 0.000) 1.526 8.443 ( 3.813 3.147 0.000) 4.944 8.528 ( 5.041 -5.102 0.000) 7.172 8.619 ( 3.198 7.757 0.000) 8.390 8.645 ( -1.496 1.298 0.000) 1.981 8.660 ( -2.148 -0.238 0.000) 2.161 8.803 ( 6.685 -9.863 0.000) 11.916 9.122 ( 2.216 12.724 0.000) 12.916 9.238 ( -0.242 8.987 0.000) 8.990 9.425 ( 2.288 -5.576 0.000) 6.027 9.564 ( -0.982 -11.292 0.000) 11.334 9.674 ( 3.279 2.023 0.000) 3.853 9.719 ( 3.021 -1.783 0.000) 3.508 10.034 ( -4.365 6.585 0.000) 7.901 10.170 ( -7.512 -5.535 0.000) 9.330 13.259 ( 4.168 0.992 0.000) 4.284 13.307 ( 2.833 -3.658 0.000) 4.626 13.769 ( 9.705 4.101 0.000) 10.536 13.870 ( 8.437 -5.149 0.000) 9.884 13.983 ( 3.159 4.980 0.000) 5.897 14.086 ( 1.558 -4.594 0.000) 4.851 14.889 ( -8.140 5.159 0.000) 9.637 15.010 ( -10.020 -6.118 0.000) 11.740 15.463 ( -0.018 0.245 0.000) 0.245 15.467 ( -0.106 -0.128 0.000) 0.166 15.608 ( 0.052 0.089 0.000) 0.103 15.609 ( 0.024 -0.041 0.000) 0.048 16.714 ( -0.012 6.212 0.000) 6.212 16.784 ( -2.932 4.325 0.000) 5.225 16.838 ( -0.065 -4.731 0.000) 4.731 16.872 ( -1.111 -3.479 0.000) 3.652 ======================= Grid point 12 (9/36) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 4.904 1.784 0.000) 5.219 1.174 ( 1.307 -1.582 0.000) 2.052 1.310 ( 12.413 8.969 0.000) 15.314 1.347 ( -1.369 0.745 0.000) 1.559 1.360 ( -2.670 -0.651 0.000) 2.748 1.465 ( 5.795 -4.833 0.000) 7.546 1.559 ( -8.552 2.112 0.000) 8.809 1.602 ( 8.995 6.490 0.000) 11.092 1.606 ( -5.203 -1.726 0.000) 5.482 1.744 ( 2.342 -5.367 0.000) 5.856 1.801 ( 6.142 1.700 0.000) 6.372 1.848 ( 2.045 -1.764 0.000) 2.700 1.886 ( -4.921 2.874 0.000) 5.699 1.921 ( 7.368 3.402 0.000) 8.115 1.981 ( -7.914 -4.873 0.000) 9.294 1.984 ( 3.092 -1.656 0.000) 3.507 2.194 ( 1.196 3.915 0.000) 4.094 2.216 ( 0.648 2.937 0.000) 3.008 2.310 ( 1.161 10.313 0.000) 10.378 2.341 ( -1.853 10.756 0.000) 10.915 2.381 ( 12.636 20.962 0.000) 24.476 2.457 ( -3.684 5.620 0.000) 6.720 2.493 ( 2.427 -5.542 0.000) 6.050 2.515 ( -8.596 -2.757 0.000) 9.028 2.542 ( -2.202 -6.820 0.000) 7.166 2.676 ( -3.040 8.393 0.000) 8.927 2.797 ( 1.449 0.704 0.000) 1.611 2.799 ( -3.367 3.750 0.000) 5.039 2.809 ( 0.599 -0.325 0.000) 0.681 2.840 ( -4.081 0.956 0.000) 4.191 2.913 ( 2.777 -11.481 0.000) 11.812 3.005 ( -2.680 -11.188 0.000) 11.504 3.180 ( -0.602 1.663 0.000) 1.768 3.229 ( -5.126 -2.734 0.000) 5.810 3.246 ( 1.959 -2.878 0.000) 3.481 3.311 ( -3.076 -5.454 0.000) 6.262 3.448 ( -2.999 1.735 0.000) 3.465 3.491 ( -6.556 -3.841 0.000) 7.598 3.878 ( 4.458 4.076 0.000) 6.041 3.945 ( -1.490 -1.416 0.000) 2.056 4.072 ( 2.906 -0.782 0.000) 3.010 4.127 ( -2.287 -5.048 0.000) 5.542 4.233 ( 2.393 -1.776 0.000) 2.980 4.278 ( -1.246 -5.919 0.000) 6.048 4.695 ( 0.609 1.949 0.000) 2.042 4.736 ( -2.744 -1.898 0.000) 3.336 4.872 ( 4.971 6.944 0.000) 8.540 4.951 ( -1.465 1.298 0.000) 1.958 5.143 ( 2.352 -0.077 0.000) 2.353 5.167 ( -0.026 -2.314 0.000) 2.314 5.246 ( 0.602 -0.960 0.000) 1.133 5.315 ( -4.664 -5.493 0.000) 7.206 5.741 ( 2.315 0.598 0.000) 2.391 5.752 ( 1.272 -0.559 0.000) 1.389 5.954 ( 3.251 4.248 0.000) 5.349 5.978 ( 1.867 2.295 0.000) 2.959 6.010 ( -1.111 -0.796 0.000) 1.367 6.018 ( -2.923 3.491 0.000) 4.553 6.051 ( 1.910 -4.716 0.000) 5.088 6.109 ( -3.552 -5.498 0.000) 6.546 6.188 ( 3.467 3.053 0.000) 4.620 6.204 ( 1.339 1.159 0.000) 1.771 6.367 ( 0.302 0.846 0.000) 0.899 6.376 ( -0.629 -0.415 0.000) 0.754 6.582 ( 4.620 3.240 0.000) 5.643 6.592 ( -1.230 2.229 0.000) 2.546 6.612 ( -3.171 0.693 0.000) 3.246 6.639 ( -0.477 -2.134 0.000) 2.187 6.925 ( 5.275 1.560 0.000) 5.500 6.980 ( 0.050 -3.275 0.000) 3.276 7.153 ( -3.983 -0.092 0.000) 3.984 7.190 ( -7.007 -3.051 0.000) 7.642 7.349 ( 5.743 3.109 0.000) 6.531 7.422 ( 1.304 -3.202 0.000) 3.458 7.448 ( -0.343 2.055 0.000) 2.084 7.459 ( -2.044 0.555 0.000) 2.118 7.498 ( -1.149 1.780 0.000) 2.119 7.563 ( -4.319 -3.637 0.000) 5.647 7.670 ( 4.626 8.833 0.000) 9.971 7.766 ( -3.112 3.522 0.000) 4.700 7.875 ( 2.977 1.344 0.000) 3.266 7.922 ( 1.281 -2.682 0.000) 2.972 7.953 ( -1.756 2.449 0.000) 3.013 7.965 ( 3.822 1.428 0.000) 4.080 8.028 ( -5.695 -4.336 0.000) 7.158 8.049 ( -1.091 2.368 0.000) 2.607 8.086 ( -0.261 -4.000 0.000) 4.009 8.131 ( -4.316 -10.298 0.000) 11.166 8.366 ( 1.053 -0.012 0.000) 1.053 8.375 ( 0.188 -0.927 0.000) 0.946 8.518 ( 3.139 4.101 0.000) 5.164 8.563 ( -0.872 1.697 0.000) 1.908 8.614 ( -1.022 0.805 0.000) 1.301 8.618 ( -1.416 0.364 0.000) 1.462 8.733 ( 6.352 1.220 0.000) 6.468 8.839 ( -2.802 -7.107 0.000) 7.640 9.176 ( 2.614 12.726 0.000) 12.992 9.220 ( -1.553 11.579 0.000) 11.682 9.481 ( 2.818 -8.763 0.000) 9.205 9.532 ( -2.030 -10.439 0.000) 10.635 9.768 ( 5.256 2.591 0.000) 5.860 9.812 ( 4.155 -0.601 0.000) 4.198 9.936 ( -3.392 2.017 0.000) 3.947 10.008 ( -7.368 -3.686 0.000) 8.239 13.323 ( 2.019 -0.426 0.000) 2.063 13.342 ( 0.290 -2.315 0.000) 2.333 13.925 ( 3.267 2.790 0.000) 4.296 13.946 ( 0.500 1.135 0.000) 1.240 14.157 ( 9.444 1.369 0.000) 9.543 14.200 ( 7.415 -3.391 0.000) 8.154 14.703 ( -6.659 0.755 0.000) 6.702 14.770 ( -11.072 -5.250 0.000) 12.253 15.463 ( 0.032 0.136 0.000) 0.140 15.464 ( -0.108 -0.005 0.000) 0.108 15.609 ( 0.048 0.040 0.000) 0.063 15.609 ( -0.003 -0.012 0.000) 0.012 16.717 ( 0.399 6.288 0.000) 6.300 16.736 ( -1.569 6.125 0.000) 6.322 16.838 ( 0.189 -4.942 0.000) 4.946 16.849 ( -0.907 -4.509 0.000) 4.599 ======================= Grid point 25 (10/36) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 0.000 23.769) 23.769 0.497 ( 0.000 0.000 25.569) 25.569 0.842 ( 0.000 0.000 40.924) 40.924 1.218 ( 0.000 0.000 4.070) 4.070 1.328 ( 0.000 0.000 4.452) 4.452 1.423 ( 0.000 0.000 4.969) 4.969 1.463 ( 0.000 0.000 2.773) 2.773 1.634 ( 0.000 0.000 2.295) 2.295 1.666 ( 0.000 0.000 2.395) 2.395 1.683 ( 0.000 0.000 -1.332) 1.332 1.750 ( 0.000 0.000 -4.525) 4.525 1.829 ( 0.000 0.000 -2.538) 2.538 1.838 ( 0.000 0.000 4.344) 4.344 1.931 ( 0.000 0.000 8.893) 8.893 1.985 ( 0.000 0.000 9.482) 9.482 2.055 ( 0.000 0.000 1.500) 1.500 2.115 ( 0.000 0.000 3.364) 3.364 2.162 ( 0.000 0.000 -3.015) 3.015 2.305 ( 0.000 0.000 -2.454) 2.454 2.351 ( 0.000 0.000 -0.862) 0.862 2.373 ( 0.000 0.000 0.666) 0.666 2.416 ( 0.000 0.000 -0.710) 0.710 2.488 ( 0.000 0.000 13.725) 13.725 2.618 ( 0.000 0.000 -0.539) 0.539 2.737 ( 0.000 0.000 5.184) 5.184 2.746 ( 0.000 0.000 -1.247) 1.247 2.788 ( 0.000 0.000 2.547) 2.547 2.815 ( 0.000 0.000 0.523) 0.523 2.817 ( 0.000 0.000 5.263) 5.263 2.902 ( 0.000 0.000 0.103) 0.103 3.066 ( 0.000 0.000 -2.086) 2.086 3.069 ( 0.000 0.000 0.415) 0.415 3.334 ( 0.000 0.000 -1.947) 1.947 3.342 ( 0.000 0.000 -10.272) 10.272 3.418 ( 0.000 0.000 -2.542) 2.542 3.463 ( 0.000 0.000 -1.862) 1.862 3.488 ( 0.000 0.000 -4.605) 4.605 3.699 ( 0.000 0.000 2.590) 2.590 3.732 ( 0.000 0.000 14.081) 14.081 3.969 ( 0.000 0.000 16.013) 16.013 4.267 ( 0.000 0.000 -2.934) 2.934 4.378 ( 0.000 0.000 4.796) 4.796 4.434 ( 0.000 0.000 13.285) 13.285 4.442 ( 0.000 0.000 4.852) 4.852 4.693 ( 0.000 0.000 -3.149) 3.149 4.825 ( 0.000 0.000 12.590) 12.590 4.857 ( 0.000 0.000 -2.065) 2.065 4.925 ( 0.000 0.000 -0.972) 0.972 5.103 ( 0.000 0.000 -1.462) 1.462 5.271 ( 0.000 0.000 11.471) 11.471 5.349 ( 0.000 0.000 -1.564) 1.564 5.363 ( 0.000 0.000 -0.971) 0.971 5.595 ( 0.000 0.000 -3.917) 3.917 5.682 ( 0.000 0.000 -8.137) 8.137 5.692 ( 0.000 0.000 -2.030) 2.030 5.752 ( 0.000 0.000 -1.497) 1.497 5.872 ( 0.000 0.000 0.282) 0.282 5.913 ( 0.000 0.000 -12.746) 12.746 6.011 ( 0.000 0.000 -1.529) 1.529 6.096 ( 0.000 0.000 -1.874) 1.874 6.104 ( 0.000 0.000 0.864) 0.864 6.289 ( 0.000 0.000 3.704) 3.704 6.393 ( 0.000 0.000 -4.645) 4.645 6.414 ( 0.000 0.000 -4.638) 4.638 6.480 ( 0.000 0.000 2.122) 2.122 6.482 ( 0.000 0.000 1.574) 1.574 6.573 ( 0.000 0.000 -1.013) 1.013 6.844 ( 0.000 0.000 0.890) 0.890 6.859 ( 0.000 0.000 5.977) 5.977 7.012 ( 0.000 0.000 -4.580) 4.580 7.117 ( 0.000 0.000 8.593) 8.593 7.133 ( 0.000 0.000 -0.082) 0.082 7.213 ( 0.000 0.000 -4.860) 4.860 7.325 ( 0.000 0.000 0.269) 0.269 7.381 ( 0.000 0.000 -8.421) 8.421 7.543 ( 0.000 0.000 7.254) 7.254 7.641 ( 0.000 0.000 -6.801) 6.801 7.676 ( 0.000 0.000 -12.495) 12.495 7.726 ( 0.000 0.000 -4.836) 4.836 7.727 ( 0.000 0.000 -0.279) 0.279 7.789 ( 0.000 0.000 4.067) 4.067 7.807 ( 0.000 0.000 1.263) 1.263 7.860 ( 0.000 0.000 -3.747) 3.747 7.974 ( 0.000 0.000 3.687) 3.687 7.989 ( 0.000 0.000 -8.322) 8.322 8.064 ( 0.000 0.000 -1.301) 1.301 8.149 ( 0.000 0.000 -3.928) 3.928 8.181 ( 0.000 0.000 -5.086) 5.086 8.235 ( 0.000 0.000 -2.578) 2.578 8.323 ( 0.000 0.000 -9.208) 9.208 8.453 ( 0.000 0.000 6.915) 6.915 8.461 ( 0.000 0.000 1.929) 1.929 8.494 ( 0.000 0.000 0.275) 0.275 8.583 ( 0.000 0.000 0.903) 0.903 8.716 ( 0.000 0.000 1.694) 1.694 8.946 ( 0.000 0.000 3.393) 3.393 9.144 ( 0.000 0.000 15.314) 15.314 9.347 ( 0.000 0.000 -2.990) 2.990 9.352 ( 0.000 0.000 -9.644) 9.644 9.529 ( 0.000 0.000 -8.571) 8.571 9.722 ( 0.000 0.000 6.668) 6.668 9.811 ( 0.000 0.000 0.119) 0.119 10.106 ( 0.000 0.000 9.695) 9.695 10.350 ( 0.000 0.000 1.784) 1.784 13.112 ( 0.000 0.000 0.295) 0.295 13.255 ( 0.000 0.000 -1.426) 1.426 13.464 ( 0.000 0.000 0.771) 0.771 13.827 ( 0.000 0.000 0.951) 0.951 13.874 ( 0.000 0.000 -4.184) 4.184 14.149 ( 0.000 0.000 -1.744) 1.744 14.359 ( 0.000 0.000 -6.424) 6.424 14.660 ( 0.000 0.000 -14.960) 14.960 15.522 ( 0.000 0.000 6.562) 6.562 15.579 ( 0.000 0.000 9.833) 9.833 15.786 ( 0.000 0.000 14.741) 14.741 16.496 ( 0.000 0.000 0.978) 0.978 16.544 ( 0.000 0.000 -0.481) 0.481 16.910 ( 0.000 0.000 -2.699) 2.699 16.955 ( 0.000 0.000 0.394) 0.394 16.958 ( 0.000 0.000 0.227) 0.227 ======================= Grid point 26 (11/36) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 14.808 0.000 11.133) 18.526 0.663 ( 15.822 0.000 15.810) 22.367 1.167 ( 10.494 0.000 12.886) 16.618 1.256 ( 15.335 0.000 15.729) 21.968 1.404 ( -2.141 0.000 3.750) 4.318 1.405 ( 3.387 0.000 4.658) 5.760 1.440 ( 1.482 0.000 4.546) 4.781 1.560 ( -6.125 0.000 0.075) 6.125 1.674 ( 0.239 0.000 3.670) 3.677 1.689 ( 0.109 0.000 0.409) 0.423 1.774 ( 2.974 0.000 0.094) 2.975 1.822 ( -1.354 0.000 -3.820) 4.053 1.838 ( 1.734 0.000 2.908) 3.386 1.925 ( -0.908 0.000 8.855) 8.902 1.995 ( 0.911 0.000 7.453) 7.508 2.040 ( -1.831 0.000 1.226) 2.203 2.096 ( 0.364 0.000 2.462) 2.489 2.105 ( -4.618 0.000 -0.723) 4.675 2.184 ( -11.605 0.000 2.632) 11.900 2.223 ( -4.878 0.000 -2.963) 5.707 2.376 ( -8.763 0.000 14.997) 17.370 2.481 ( 1.773 0.000 -0.901) 1.989 2.482 ( 4.703 0.000 -2.510) 5.331 2.528 ( -2.213 0.000 1.270) 2.552 2.655 ( 3.419 0.000 12.345) 12.810 2.757 ( 0.256 0.000 -2.521) 2.534 2.789 ( -1.411 0.000 4.852) 5.053 2.796 ( 0.155 0.000 3.239) 3.242 2.837 ( -1.628 0.000 0.032) 1.628 2.883 ( -1.505 0.000 6.310) 6.487 3.078 ( 0.801 0.000 -0.594) 0.997 3.104 ( -1.019 0.000 -4.384) 4.501 3.240 ( -8.330 0.000 3.516) 9.042 3.393 ( -1.563 0.000 -5.077) 5.312 3.409 ( 2.393 0.000 -5.038) 5.578 3.412 ( -2.192 0.000 -0.985) 2.403 3.504 ( 0.798 0.000 -5.168) 5.229 3.652 ( -4.114 0.000 2.521) 4.825 3.770 ( 3.722 0.000 13.047) 13.568 4.026 ( 4.333 0.000 12.596) 13.320 4.239 ( -4.341 0.000 0.166) 4.344 4.360 ( 0.163 0.000 1.422) 1.431 4.426 ( -0.807 0.000 10.915) 10.945 4.525 ( 6.413 0.000 4.034) 7.576 4.608 ( -7.122 0.000 -3.390) 7.888 4.816 ( -0.782 0.000 11.582) 11.608 4.836 ( -1.819 0.000 0.638) 1.928 4.931 ( -3.283 0.000 -0.188) 3.289 5.077 ( 2.715 0.000 0.993) 2.891 5.313 ( -2.712 0.000 -2.473) 3.670 5.341 ( 4.064 0.000 3.994) 5.697 5.392 ( 2.219 0.000 0.526) 2.281 5.614 ( 1.468 0.000 -4.048) 4.306 5.696 ( 0.186 0.000 -9.128) 9.130 5.759 ( 4.070 0.000 -4.397) 5.992 5.796 ( 3.904 0.000 -0.989) 4.027 5.920 ( 4.176 0.000 -0.018) 4.176 5.943 ( 2.121 0.000 -11.600) 11.792 5.998 ( -0.466 0.000 -1.588) 1.655 6.078 ( -1.594 0.000 -0.877) 1.820 6.121 ( 0.981 0.000 0.194) 1.000 6.297 ( -4.305 0.000 0.399) 4.323 6.348 ( 3.258 0.000 2.109) 3.881 6.402 ( -1.011 0.000 -3.820) 3.952 6.466 ( -1.856 0.000 -0.818) 2.028 6.496 ( 1.187 0.000 0.007) 1.187 6.640 ( 3.080 0.000 0.187) 3.086 6.784 ( -5.440 0.000 1.380) 5.612 6.876 ( 1.396 0.000 6.336) 6.488 7.028 ( 3.362 0.000 -6.467) 7.288 7.088 ( -3.713 0.000 0.469) 3.743 7.151 ( 3.376 0.000 0.914) 3.497 7.268 ( 4.216 0.000 -2.144) 4.729 7.344 ( -0.215 0.000 1.091) 1.112 7.370 ( -1.305 0.000 -7.529) 7.641 7.498 ( 0.920 0.000 5.398) 5.476 7.560 ( -5.516 0.000 -4.794) 7.308 7.576 ( -9.727 0.000 -11.861) 15.340 7.667 ( -4.508 0.000 1.156) 4.654 7.758 ( -1.854 0.000 -9.082) 9.269 7.760 ( 0.754 0.000 -1.170) 1.392 7.857 ( 2.918 0.000 4.099) 5.032 7.899 ( 7.459 0.000 1.259) 7.564 7.932 ( -3.312 0.000 3.619) 4.906 8.066 ( -0.440 0.000 -1.541) 1.602 8.093 ( -0.149 0.000 -6.109) 6.111 8.176 ( 3.179 0.000 -14.213) 14.564 8.244 ( 1.077 0.000 -2.109) 2.368 8.284 ( 5.937 0.000 -2.088) 6.293 8.355 ( 3.196 0.000 3.453) 4.705 8.424 ( 1.247 0.000 -2.943) 3.197 8.508 ( 5.089 0.000 0.874) 5.164 8.560 ( -2.154 0.000 1.013) 2.381 8.581 ( 5.259 0.000 2.997) 6.053 8.677 ( -3.550 0.000 1.658) 3.918 8.929 ( -1.739 0.000 2.636) 3.158 9.031 ( -8.740 0.000 12.786) 15.488 9.238 ( -8.762 0.000 -2.134) 9.018 9.404 ( 3.507 0.000 -10.512) 11.082 9.551 ( 0.649 0.000 -10.143) 10.164 9.802 ( 5.324 0.000 6.288) 8.239 9.844 ( 2.834 0.000 1.223) 3.086 10.100 ( -0.522 0.000 9.588) 9.603 10.204 ( -6.709 0.000 7.511) 10.071 13.288 ( 2.991 0.000 -1.235) 3.236 13.434 ( 3.624 0.000 -5.913) 6.936 13.665 ( 16.787 0.000 -13.344) 21.444 13.846 ( 2.978 0.000 -0.075) 2.979 13.863 ( -1.012 0.000 -3.725) 3.860 14.327 ( 14.495 0.000 -18.276) 23.326 14.347 ( -2.016 0.000 -7.550) 7.815 14.634 ( -1.856 0.000 -14.235) 14.356 15.532 ( 0.944 0.000 6.900) 6.964 15.583 ( 0.293 0.000 10.280) 10.284 15.784 ( 0.189 0.000 14.717) 14.718 16.404 ( -25.113 0.000 23.353) 34.293 16.505 ( 0.792 0.000 0.953) 1.239 16.567 ( -3.308 0.000 4.992) 5.989 16.931 ( -0.170 0.000 -2.151) 2.158 16.952 ( -0.555 0.000 -0.088) 0.562 ======================= Grid point 27 (12/36) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 19.009 0.000 -2.991) 19.242 1.018 ( 16.702 0.000 8.067) 18.548 1.259 ( 5.211 0.000 -0.481) 5.233 1.308 ( -8.155 0.000 -1.354) 8.266 1.344 ( -10.338 0.000 4.857) 11.423 1.402 ( -8.338 0.000 -0.484) 8.352 1.517 ( 7.148 0.000 1.611) 7.327 1.644 ( 9.581 0.000 7.427) 12.123 1.685 ( -2.215 0.000 0.451) 2.260 1.712 ( 4.716 0.000 6.508) 8.037 1.727 ( -7.332 0.000 -0.674) 7.363 1.843 ( -6.648 0.000 4.667) 8.122 1.859 ( 4.632 0.000 1.745) 4.950 1.955 ( -4.579 0.000 1.017) 4.691 1.960 ( 6.990 0.000 2.976) 7.597 2.013 ( -2.179 0.000 4.377) 4.889 2.038 ( 1.955 0.000 0.668) 2.066 2.085 ( 2.782 0.000 6.777) 7.326 2.127 ( -4.697 0.000 -0.971) 4.796 2.139 ( 2.108 0.000 3.675) 4.236 2.264 ( 3.656 0.000 15.764) 16.183 2.449 ( 1.859 0.000 0.732) 1.998 2.489 ( -5.180 0.000 -2.253) 5.648 2.636 ( 6.252 0.000 -0.731) 6.295 2.640 ( -16.418 0.000 8.752) 18.605 2.729 ( -2.405 0.000 0.974) 2.595 2.750 ( 3.857 0.000 12.913) 13.477 2.788 ( 0.504 0.000 3.917) 3.949 2.801 ( 0.416 0.000 1.525) 1.581 2.828 ( -3.371 0.000 6.373) 7.210 3.061 ( -0.537 0.000 1.211) 1.325 3.068 ( -1.264 0.000 -0.934) 1.572 3.194 ( 3.346 0.000 2.602) 4.239 3.297 ( -5.988 0.000 -0.119) 5.989 3.378 ( -0.149 0.000 2.309) 2.313 3.416 ( -2.287 0.000 2.450) 3.352 3.539 ( 2.413 0.000 -6.524) 6.956 3.589 ( -2.187 0.000 -6.934) 7.270 3.886 ( 7.115 0.000 11.088) 13.175 4.036 ( -5.807 0.000 11.023) 12.459 4.213 ( 5.200 0.000 0.987) 5.292 4.363 ( -6.736 0.000 5.200) 8.510 4.398 ( 3.060 0.000 1.424) 3.375 4.468 ( -4.283 0.000 -2.203) 4.816 4.667 ( 6.761 0.000 3.120) 7.446 4.783 ( -3.737 0.000 3.198) 4.918 4.805 ( 0.028 0.000 9.889) 9.889 4.838 ( -3.801 0.000 6.000) 7.103 5.166 ( 4.237 0.000 -2.169) 4.760 5.246 ( -3.586 0.000 -2.811) 4.557 5.411 ( 2.502 0.000 0.298) 2.520 5.429 ( 0.803 0.000 0.757) 1.104 5.640 ( 1.091 0.000 -6.583) 6.673 5.672 ( -1.865 0.000 -9.667) 9.845 5.853 ( 4.221 0.000 -3.742) 5.641 5.885 ( 3.091 0.000 -2.597) 4.038 5.946 ( -0.251 0.000 -2.175) 2.190 5.989 ( -0.588 0.000 -2.214) 2.291 6.040 ( 2.863 0.000 -5.157) 5.899 6.049 ( 0.780 0.000 2.453) 2.574 6.142 ( 1.259 0.000 -3.783) 3.987 6.198 ( -4.185 0.000 -2.056) 4.663 6.384 ( -0.185 0.000 -0.282) 0.337 6.407 ( -1.793 0.000 1.782) 2.528 6.478 ( 6.722 0.000 2.063) 7.031 6.536 ( 2.871 0.000 0.188) 2.877 6.617 ( -4.045 0.000 2.978) 5.023 6.640 ( -7.835 0.000 2.246) 8.151 6.946 ( 4.186 0.000 0.164) 4.189 7.013 ( -3.066 0.000 0.809) 3.170 7.161 ( 8.349 0.000 -9.806) 12.879 7.212 ( 2.914 0.000 -2.869) 4.089 7.307 ( -4.878 0.000 -6.123) 7.828 7.354 ( -10.184 0.000 -9.354) 13.828 7.360 ( 3.873 0.000 -0.793) 3.953 7.384 ( 6.599 0.000 3.279) 7.369 7.455 ( -5.041 0.000 -4.442) 6.719 7.540 ( -7.452 0.000 2.840) 7.975 7.593 ( 5.952 0.000 -0.075) 5.952 7.701 ( -4.051 0.000 -7.923) 8.899 7.779 ( 1.571 0.000 -0.212) 1.586 7.832 ( -3.466 0.000 4.320) 5.539 7.921 ( 1.471 0.000 1.490) 2.094 7.953 ( -1.379 0.000 0.816) 1.602 8.116 ( 1.831 0.000 -0.995) 2.084 8.156 ( -2.148 0.000 -5.715) 6.105 8.167 ( 8.220 0.000 -6.285) 10.348 8.272 ( -0.649 0.000 -5.641) 5.678 8.395 ( 1.972 0.000 1.325) 2.376 8.403 ( 4.434 0.000 1.296) 4.619 8.489 ( 3.837 0.000 -0.097) 3.838 8.508 ( -1.377 0.000 2.712) 3.042 8.584 ( -2.963 0.000 6.639) 7.270 8.586 ( -4.748 0.000 1.054) 4.863 8.731 ( 10.185 0.000 -2.075) 10.394 8.872 ( -3.801 0.000 1.297) 4.016 8.890 ( -1.176 0.000 6.460) 6.566 9.026 ( -10.814 0.000 -0.613) 10.832 9.478 ( 3.452 0.000 -10.988) 11.518 9.537 ( -1.952 0.000 -11.141) 11.311 9.892 ( 2.775 0.000 5.907) 6.526 9.901 ( 1.825 0.000 3.012) 3.522 10.090 ( -0.147 0.000 8.641) 8.642 10.113 ( -2.593 0.000 6.528) 7.024 13.367 ( 4.135 0.000 -1.108) 4.281 13.438 ( -2.157 0.000 -1.939) 2.900 13.805 ( 1.877 0.000 -2.903) 3.457 13.837 ( -1.406 0.000 -2.824) 3.154 14.019 ( 11.169 0.000 -6.424) 12.885 14.236 ( -8.698 0.000 -8.007) 11.822 14.555 ( 6.020 0.000 -22.087) 22.892 14.610 ( -0.703 0.000 -15.886) 15.902 15.558 ( 1.382 0.000 8.115) 8.231 15.581 ( -0.678 0.000 9.952) 9.975 15.823 ( 4.434 0.000 17.379) 17.935 15.997 ( -13.128 0.000 24.604) 27.887 16.525 ( 1.038 0.000 0.897) 1.372 16.545 ( -0.783 0.000 1.017) 1.284 16.931 ( 0.162 0.000 -1.648) 1.656 16.939 ( -0.586 0.000 -0.841) 1.025 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 15.282 17.562) 23.280 0.710 ( 0.000 17.017 15.249) 22.850 1.190 ( 0.000 27.843 23.171) 36.224 1.215 ( 0.000 -0.433 4.304) 4.326 1.337 ( 0.000 0.592 3.811) 3.857 1.438 ( 0.000 1.138 4.146) 4.300 1.474 ( 0.000 0.902 2.709) 2.855 1.564 ( 0.000 -5.540 11.831) 13.064 1.584 ( 0.000 -3.581 2.140) 4.172 1.680 ( 0.000 -0.937 4.110) 4.216 1.754 ( 0.000 0.041 -3.263) 3.263 1.788 ( 0.000 1.311 -0.963) 1.626 1.801 ( 0.000 -3.042 -0.323) 3.060 1.921 ( 0.000 -5.490 8.246) 9.907 1.981 ( 0.000 -7.610 2.113) 7.898 2.057 ( 0.000 8.965 9.474) 13.043 2.144 ( 0.000 7.055 0.799) 7.100 2.276 ( 0.000 4.055 -4.691) 6.201 2.297 ( 0.000 -0.372 -3.820) 3.838 2.321 ( 0.000 0.040 3.033) 3.033 2.345 ( 0.000 4.122 1.237) 4.303 2.488 ( 0.000 -6.770 10.750) 12.704 2.491 ( 0.000 2.381 6.501) 6.923 2.573 ( 0.000 5.982 6.936) 9.159 2.688 ( 0.000 3.611 -2.227) 4.242 2.751 ( 0.000 -0.712 1.421) 1.589 2.779 ( 0.000 -0.744 2.172) 2.296 2.810 ( 0.000 -0.652 -0.051) 0.654 2.815 ( 0.000 -0.159 7.220) 7.221 3.018 ( 0.000 -4.663 -2.216) 5.163 3.019 ( 0.000 1.475 -5.678) 5.867 3.127 ( 0.000 4.738 -0.455) 4.760 3.214 ( 0.000 -10.930 -4.466) 11.807 3.343 ( 0.000 0.733 -2.151) 2.273 3.408 ( 0.000 -0.831 -2.619) 2.747 3.484 ( 0.000 1.312 -5.231) 5.393 3.548 ( 0.000 1.792 -6.120) 6.377 3.644 ( 0.000 -5.163 0.710) 5.212 3.793 ( 0.000 4.118 13.682) 14.288 4.000 ( 0.000 3.399 15.408) 15.778 4.208 ( 0.000 -6.338 4.063) 7.528 4.244 ( 0.000 -6.534 3.667) 7.493 4.377 ( 0.000 -5.569 2.514) 6.110 4.463 ( 0.000 -3.672 8.279) 9.057 4.731 ( 0.000 1.226 -2.730) 2.993 4.771 ( 0.000 -1.064 11.325) 11.375 4.862 ( 0.000 0.478 -2.897) 2.936 4.894 ( 0.000 -2.857 0.589) 2.917 5.196 ( 0.000 6.012 -1.704) 6.249 5.223 ( 0.000 -3.293 11.259) 11.731 5.274 ( 0.000 -4.794 -0.762) 4.854 5.405 ( 0.000 1.997 -0.046) 1.997 5.588 ( 0.000 -0.428 -3.438) 3.464 5.650 ( 0.000 -2.125 -7.707) 7.995 5.740 ( 0.000 4.506 -1.591) 4.779 5.809 ( 0.000 4.063 -1.252) 4.252 5.912 ( 0.000 3.864 -1.013) 3.995 5.969 ( 0.000 3.831 -12.376) 12.955 6.013 ( 0.000 -1.249 -2.465) 2.763 6.099 ( 0.000 -0.637 1.628) 1.749 6.114 ( 0.000 1.925 0.454) 1.978 6.300 ( 0.000 0.171 2.714) 2.719 6.365 ( 0.000 -1.534 -2.931) 3.308 6.406 ( 0.000 -0.523 -3.761) 3.797 6.466 ( 0.000 -2.001 -0.653) 2.105 6.606 ( 0.000 4.638 -3.989) 6.117 6.610 ( 0.000 4.175 2.233) 4.735 6.745 ( 0.000 -7.144 1.274) 7.256 6.823 ( 0.000 -2.836 5.586) 6.265 7.036 ( 0.000 -1.341 -7.964) 8.076 7.103 ( 0.000 0.943 2.512) 2.683 7.194 ( 0.000 -0.213 -3.257) 3.264 7.237 ( 0.000 6.814 1.949) 7.087 7.394 ( 0.000 -0.489 -6.305) 6.324 7.421 ( 0.000 6.233 -1.868) 6.507 7.525 ( 0.000 2.611 -7.544) 7.983 7.616 ( 0.000 -6.270 -7.052) 9.437 7.669 ( 0.000 -2.556 0.473) 2.599 7.704 ( 0.000 0.130 -9.700) 9.700 7.721 ( 0.000 -1.393 -1.811) 2.285 7.734 ( 0.000 -0.108 1.495) 1.499 7.840 ( 0.000 2.650 3.753) 4.594 7.947 ( 0.000 -4.256 -9.894) 10.771 7.968 ( 0.000 5.734 -3.448) 6.690 7.994 ( 0.000 -5.260 -2.207) 5.704 8.007 ( 0.000 3.780 2.705) 4.649 8.176 ( 0.000 -0.703 -5.082) 5.131 8.241 ( 0.000 6.369 -5.950) 8.716 8.264 ( 0.000 -0.600 -4.410) 4.451 8.332 ( 0.000 3.527 -2.047) 4.078 8.443 ( 0.000 -0.550 5.770) 5.796 8.454 ( 0.000 -0.838 0.776) 1.142 8.489 ( 0.000 0.227 -1.800) 1.814 8.603 ( 0.000 1.090 -0.167) 1.103 8.849 ( 0.000 10.112 2.487) 10.413 9.036 ( 0.000 8.140 1.889) 8.356 9.041 ( 0.000 -7.299 12.033) 14.074 9.058 ( 0.000 -13.566 9.840) 16.759 9.388 ( 0.000 -0.149 -6.948) 6.950 9.598 ( 0.000 3.623 -6.203) 7.184 9.727 ( 0.000 -1.440 5.746) 5.923 9.765 ( 0.000 -3.921 1.068) 4.064 10.097 ( 0.000 -0.010 9.077) 9.077 10.372 ( 0.000 -1.527 -1.313) 2.014 13.134 ( 0.000 2.046 0.236) 2.059 13.305 ( 0.000 -0.532 -3.779) 3.816 13.517 ( 0.000 5.009 -1.396) 5.200 13.831 ( 0.000 -3.881 -3.742) 5.391 13.864 ( 0.000 3.496 0.499) 3.531 14.130 ( 0.000 -2.066 -1.758) 2.713 14.578 ( 0.000 12.279 -23.988) 26.948 14.679 ( 0.000 1.760 -15.937) 16.034 15.529 ( 0.000 0.680 6.772) 6.806 15.576 ( 0.000 -0.321 9.113) 9.118 15.802 ( 0.000 1.629 15.800) 15.883 16.267 ( 0.000 -16.873 21.260) 27.142 16.598 ( 0.000 4.570 -0.081) 4.571 16.812 ( 0.000 -3.345 2.335) 4.080 16.892 ( 0.000 -1.740 -2.479) 3.029 16.928 ( 0.000 -2.838 -0.137) 2.841 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 10.540 12.633 7.540) 18.098 0.903 ( 12.650 16.285 11.026) 23.384 1.195 ( 0.071 0.020 1.671) 1.673 1.399 ( -0.262 0.888 4.125) 4.227 1.411 ( 12.895 11.770 12.611) 21.537 1.420 ( 3.294 1.176 4.389) 5.612 1.466 ( 4.065 4.384 7.614) 9.681 1.523 ( -4.547 -2.319 1.129) 5.228 1.663 ( 3.854 -0.970 2.849) 4.890 1.698 ( -0.431 0.517 1.561) 1.700 1.772 ( 3.274 -0.376 0.544) 3.340 1.798 ( 1.560 0.366 2.721) 3.158 1.825 ( 3.161 -0.774 0.440) 3.284 1.901 ( 0.779 -6.577 4.972) 8.281 2.015 ( -3.029 4.950 7.916) 9.815 2.028 ( 0.632 -2.923 5.465) 6.230 2.130 ( -2.026 6.371 0.055) 6.686 2.177 ( -4.435 4.575 1.328) 6.509 2.231 ( -6.075 4.573 1.735) 7.799 2.241 ( -3.933 3.160 -2.653) 5.700 2.341 ( -6.603 -1.958 10.937) 12.925 2.414 ( -1.041 -0.206 -1.002) 1.460 2.539 ( 2.565 2.663 1.100) 3.858 2.624 ( 1.132 4.416 3.311) 5.635 2.655 ( 1.045 0.848 6.181) 6.326 2.764 ( 0.749 -1.270 3.135) 3.464 2.777 ( -0.338 -0.481 1.388) 1.507 2.803 ( -0.279 0.964 4.049) 4.172 2.836 ( 0.101 -0.548 0.867) 1.031 2.913 ( -5.870 1.575 1.606) 6.286 3.040 ( -0.381 -5.406 -2.797) 6.099 3.107 ( -0.588 2.266 -1.906) 3.019 3.243 ( -3.140 -6.380 1.043) 7.187 3.308 ( -0.598 -1.169 -1.415) 1.930 3.371 ( -3.018 -1.691 -2.277) 4.141 3.450 ( -1.535 0.951 -1.932) 2.644 3.531 ( -2.638 1.298 -3.068) 4.250 3.599 ( -2.511 -4.112 -1.034) 4.928 3.818 ( 2.852 3.834 12.821) 13.682 4.049 ( 3.690 2.383 12.620) 13.363 4.184 ( -2.359 -5.080 4.737) 7.335 4.262 ( 1.764 -5.912 3.121) 6.914 4.415 ( 2.194 -7.116 -0.189) 7.449 4.428 ( -3.072 -3.873 8.380) 9.729 4.663 ( -3.668 2.818 -0.519) 4.655 4.767 ( -0.437 -1.994 7.946) 8.204 4.848 ( -0.956 0.772 1.675) 2.077 4.929 ( 0.377 -1.872 -2.283) 2.976 5.135 ( -1.590 5.115 3.165) 6.222 5.246 ( -0.517 -4.256 0.858) 4.373 5.292 ( 2.323 -3.452 3.246) 5.277 5.421 ( 0.740 0.787 -0.457) 1.173 5.612 ( 1.983 -0.173 -4.346) 4.780 5.673 ( 1.177 -1.975 -8.131) 8.450 5.771 ( 3.041 3.080 -3.119) 5.335 5.846 ( 3.144 3.513 -0.874) 4.795 5.945 ( 2.951 2.471 -4.703) 6.077 5.993 ( 0.193 2.094 -4.847) 5.283 6.013 ( 0.853 0.801 -4.825) 4.965 6.084 ( -0.793 1.126 0.514) 1.470 6.121 ( 0.867 0.570 0.627) 1.213 6.289 ( -2.007 -1.767 0.596) 2.739 6.366 ( -0.154 0.528 -1.897) 1.975 6.412 ( 2.291 1.737 -0.511) 2.920 6.456 ( -1.398 -2.035 -0.104) 2.471 6.567 ( -1.859 5.127 -0.650) 5.492 6.621 ( -1.368 -1.399 1.046) 2.219 6.738 ( -0.511 -2.177 0.877) 2.402 6.838 ( 1.950 -2.713 3.618) 4.925 7.032 ( 1.642 -1.405 -7.389) 7.698 7.117 ( -0.667 2.006 -1.571) 2.634 7.233 ( 1.445 -1.293 -0.289) 1.960 7.240 ( 1.520 6.954 -0.694) 7.152 7.340 ( -4.523 0.534 -2.758) 5.324 7.406 ( 0.268 -0.204 -4.080) 4.094 7.482 ( -0.586 1.335 -2.054) 2.518 7.521 ( -6.349 -1.664 -3.052) 7.238 7.636 ( -3.650 -2.670 -0.224) 4.528 7.647 ( -4.445 3.793 -5.347) 7.920 7.710 ( -0.248 -0.261 -6.193) 6.203 7.802 ( 4.150 -1.894 -1.483) 4.797 7.830 ( -0.525 0.840 1.983) 2.216 7.946 ( -1.204 1.930 1.597) 2.780 7.967 ( 3.047 2.144 0.532) 3.763 8.028 ( 2.586 -2.902 1.075) 4.033 8.060 ( -1.179 -2.491 -8.276) 8.723 8.166 ( -0.300 0.111 -10.938) 10.943 8.233 ( 0.344 -1.610 -0.083) 1.649 8.296 ( 2.226 0.119 -3.814) 4.418 8.387 ( 3.174 4.230 2.554) 5.873 8.426 ( -0.519 -0.266 -0.106) 0.593 8.506 ( 6.936 0.797 -0.120) 6.983 8.531 ( 1.846 -1.383 0.237) 2.318 8.598 ( -0.682 2.100 -0.257) 2.223 8.837 ( -1.432 9.201 3.702) 10.021 8.947 ( -5.605 -4.713 8.457) 11.187 9.019 ( -1.777 7.546 0.965) 7.812 9.100 ( -1.267 -9.485 3.783) 10.290 9.403 ( 1.988 -0.464 -8.584) 8.824 9.581 ( -1.281 1.444 -8.178) 8.403 9.783 ( 3.875 -2.352 4.826) 6.622 9.800 ( 3.674 -2.905 4.146) 6.255 10.085 ( -1.105 -0.685 9.460) 9.549 10.242 ( -8.199 0.891 3.062) 8.798 13.258 ( 4.884 -1.732 -1.229) 5.326 13.372 ( 3.655 -4.365 -3.621) 6.748 13.667 ( 11.820 1.935 -5.148) 13.037 13.873 ( 1.032 2.006 -0.956) 2.451 13.895 ( 5.355 0.689 -5.341) 7.595 14.156 ( 3.195 -5.527 -3.242) 7.160 14.572 ( -1.439 8.353 -22.412) 23.961 14.645 ( -2.435 1.236 -16.071) 16.301 15.538 ( 0.807 0.547 7.188) 7.254 15.580 ( 0.280 -0.353 9.667) 9.677 15.793 ( -0.422 1.074 15.410) 15.453 16.151 ( -10.448 -13.375 25.610) 30.723 16.595 ( -0.263 4.745 -0.116) 4.754 16.673 ( -6.479 5.832 1.760) 8.893 16.904 ( 0.072 -2.425 -2.161) 3.249 16.922 ( -0.520 -2.826 -0.351) 2.895 ======================= Grid point 32 (15/36) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 14.141 4.303 -2.092) 14.928 1.169 ( 7.987 6.378 2.698) 10.572 1.241 ( 6.119 3.119 1.916) 7.130 1.330 ( -3.667 1.734 -0.299) 4.068 1.382 ( -6.727 -1.298 -0.043) 6.851 1.438 ( -6.450 5.986 2.930) 9.275 1.526 ( 7.674 1.657 1.597) 8.012 1.639 ( 2.541 -1.191 4.682) 5.458 1.663 ( -1.037 -1.379 2.679) 3.186 1.749 ( -0.517 2.193 2.108) 3.086 1.775 ( -2.748 5.401 0.800) 6.113 1.852 ( -0.686 0.200 1.738) 1.879 1.873 ( 0.423 1.436 2.669) 3.060 1.921 ( 0.365 -1.576 0.192) 1.629 2.037 ( 8.117 5.158 7.365) 12.113 2.062 ( 3.547 0.329 5.676) 6.701 2.097 ( 0.711 4.188 -1.071) 4.381 2.122 ( -2.242 7.309 3.453) 8.389 2.146 ( -4.405 0.692 3.127) 5.446 2.159 ( -2.987 4.461 -0.536) 5.396 2.296 ( 7.856 4.820 14.728) 17.374 2.402 ( 2.814 -1.917 1.635) 3.777 2.506 ( -5.812 0.215 -2.287) 6.250 2.653 ( -10.308 1.036 8.749) 13.560 2.690 ( -0.159 4.172 -0.254) 4.183 2.722 ( 2.901 -2.299 11.795) 12.362 2.756 ( -1.089 -0.381 6.630) 6.729 2.788 ( -0.772 1.408 2.016) 2.578 2.803 ( -0.921 0.555 0.802) 1.341 2.817 ( -2.912 -0.940 2.262) 3.806 3.037 ( 1.017 -3.076 -0.338) 3.257 3.078 ( -2.464 1.208 1.423) 3.091 3.189 ( 2.555 -1.190 1.128) 3.036 3.269 ( -4.170 -2.853 -0.429) 5.071 3.383 ( 1.833 -2.561 1.190) 3.367 3.407 ( -2.266 1.343 0.749) 2.738 3.474 ( 0.388 -4.645 0.701) 4.713 3.545 ( -3.802 -4.036 -6.013) 8.179 3.917 ( 6.220 2.748 11.051) 12.976 4.047 ( -5.208 0.773 10.713) 11.937 4.199 ( 5.288 -1.140 3.576) 6.485 4.309 ( -0.090 -4.607 5.389) 7.090 4.347 ( -2.257 -4.512 3.691) 6.251 4.402 ( -2.986 -5.954 -0.336) 6.669 4.668 ( 3.714 0.554 1.681) 4.114 4.746 ( -2.447 -2.016 1.812) 3.652 4.831 ( 0.365 2.033 5.475) 5.852 4.879 ( -3.596 1.956 2.152) 4.624 5.164 ( 2.841 0.544 0.124) 2.895 5.216 ( -2.041 -1.771 -0.713) 2.795 5.353 ( 3.250 -4.319 1.640) 5.649 5.411 ( -1.858 -2.638 0.181) 3.232 5.652 ( 1.652 0.984 -6.826) 7.092 5.678 ( -0.674 0.475 -8.225) 8.266 5.855 ( 4.536 1.122 -4.357) 6.389 5.913 ( 1.747 1.696 -2.659) 3.605 5.957 ( -1.114 0.961 -3.317) 3.629 5.992 ( -1.845 0.022 -2.586) 3.177 6.038 ( 3.305 0.285 -3.688) 4.961 6.085 ( -0.544 0.723 -1.128) 1.446 6.162 ( 3.201 2.961 -0.491) 4.388 6.231 ( -3.158 1.968 0.978) 3.847 6.357 ( 0.470 -1.359 0.000) 1.438 6.402 ( -3.250 -1.759 1.353) 3.935 6.503 ( 4.058 2.927 -0.114) 5.005 6.562 ( -0.925 0.223 0.945) 1.341 6.568 ( 1.006 0.850 0.478) 1.401 6.677 ( -5.311 0.202 0.901) 5.391 6.932 ( 5.833 -0.743 0.232) 5.885 7.025 ( -3.014 -0.101 0.239) 3.025 7.159 ( 3.409 -0.918 -9.429) 10.068 7.188 ( -1.177 -1.884 -2.169) 3.105 7.283 ( -0.601 0.985 -1.239) 1.693 7.322 ( -0.873 -0.013 -5.805) 5.870 7.381 ( 0.764 -0.289 -0.928) 1.236 7.422 ( -0.456 1.683 -4.782) 5.090 7.492 ( -2.176 -0.661 0.176) 2.281 7.515 ( -5.193 2.327 -6.501) 8.640 7.636 ( 2.599 2.445 4.839) 6.012 7.691 ( -1.773 1.070 -2.223) 3.038 7.830 ( 1.025 2.362 -1.650) 3.058 7.861 ( -0.664 1.099 1.284) 1.816 7.910 ( 1.129 0.459 0.282) 1.251 7.971 ( -3.483 1.089 -2.037) 4.179 8.068 ( 2.318 -4.395 -2.965) 5.787 8.105 ( 0.756 -2.276 -0.727) 2.506 8.150 ( 3.332 -2.552 -4.269) 5.987 8.237 ( -1.827 -3.758 -2.395) 4.816 8.360 ( 3.579 -2.195 -0.829) 4.280 8.415 ( -0.984 -2.434 0.590) 2.690 8.449 ( 2.964 3.826 1.005) 4.943 8.515 ( -2.615 0.571 1.642) 3.140 8.593 ( 1.546 2.133 1.379) 2.973 8.665 ( -0.521 1.444 2.945) 3.321 8.772 ( 3.967 -1.218 1.906) 4.566 8.925 ( 2.459 7.949 1.502) 8.455 8.947 ( -6.724 1.408 -1.547) 7.042 9.000 ( -5.304 3.023 1.744) 6.350 9.468 ( 3.633 -1.318 -9.690) 10.432 9.538 ( -2.878 -0.714 -9.747) 10.188 9.865 ( 3.225 -2.202 4.055) 5.630 9.876 ( 2.396 -1.922 4.992) 5.861 10.064 ( -0.211 -1.859 9.286) 9.473 10.108 ( -4.534 -0.917 5.690) 7.333 13.341 ( 3.465 -1.948 -1.089) 4.122 13.393 ( -1.211 -3.491 -1.627) 4.037 13.832 ( 3.903 2.719 -3.040) 5.645 13.879 ( -0.988 2.910 -2.212) 3.786 14.047 ( 9.248 2.200 -6.522) 11.529 14.200 ( -2.721 -3.039 -7.002) 8.104 14.540 ( 0.862 -1.024 -17.171) 17.223 14.597 ( -2.842 -1.464 -17.467) 17.757 15.560 ( 1.191 0.220 8.503) 8.588 15.579 ( -0.497 -0.182 9.970) 9.984 15.811 ( 2.823 -0.824 16.725) 16.982 15.930 ( -8.823 -4.965 22.525) 24.695 16.592 ( 0.153 5.141 0.057) 5.144 16.606 ( -1.250 5.468 0.481) 5.629 16.904 ( 0.082 -2.589 -1.668) 3.081 16.910 ( -0.526 -2.748 -0.968) 2.960 ======================= Grid point 35 (16/36) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 16.397 9.056) 18.732 1.029 ( 0.000 12.407 9.555) 15.660 1.186 ( 0.000 -2.953 5.599) 6.330 1.290 ( 0.000 -6.889 4.082) 8.008 1.455 ( 0.000 1.405 2.759) 3.096 1.483 ( 0.000 -0.654 1.272) 1.430 1.527 ( 0.000 3.668 10.010) 10.661 1.530 ( 0.000 -0.730 4.491) 4.549 1.570 ( 0.000 -3.317 3.572) 4.874 1.671 ( 0.000 -8.936 9.434) 12.994 1.698 ( 0.000 5.263 2.610) 5.875 1.746 ( 0.000 -1.033 -2.034) 2.281 1.841 ( 0.000 -1.195 0.247) 1.220 1.855 ( 0.000 -2.197 1.627) 2.733 1.984 ( 0.000 21.456 3.714) 21.775 2.250 ( 0.000 0.303 -2.815) 2.831 2.263 ( 0.000 8.568 8.819) 12.295 2.320 ( 0.000 2.143 1.191) 2.452 2.341 ( 0.000 3.300 -2.674) 4.248 2.342 ( 0.000 0.764 5.062) 5.120 2.380 ( 0.000 -2.380 4.938) 5.481 2.509 ( 0.000 -5.163 0.121) 5.164 2.542 ( 0.000 10.579 -1.082) 10.634 2.585 ( 0.000 -2.634 11.581) 11.877 2.665 ( 0.000 -4.800 6.926) 8.427 2.748 ( 0.000 -6.541 -0.799) 6.589 2.748 ( 0.000 0.689 -0.579) 0.900 2.762 ( 0.000 -0.940 0.993) 1.367 2.846 ( 0.000 2.605 3.122) 4.066 2.928 ( 0.000 -3.547 -2.509) 4.345 2.990 ( 0.000 -5.904 3.696) 6.965 3.003 ( 0.000 -2.131 -0.974) 2.343 3.276 ( 0.000 9.301 -1.200) 9.378 3.358 ( 0.000 0.739 -1.948) 2.083 3.383 ( 0.000 -1.368 -2.102) 2.508 3.468 ( 0.000 -7.215 -0.258) 7.219 3.549 ( 0.000 0.285 -8.475) 8.480 3.565 ( 0.000 0.022 -6.420) 6.420 3.891 ( 0.000 5.920 13.006) 14.290 4.038 ( 0.000 -8.310 10.955) 13.750 4.109 ( 0.000 7.277 13.222) 15.093 4.176 ( 0.000 -0.235 0.016) 0.236 4.245 ( 0.000 -6.237 -0.213) 6.241 4.294 ( 0.000 -10.236 10.269) 14.499 4.749 ( 0.000 1.444 0.395) 1.497 4.791 ( 0.000 -0.961 2.257) 2.453 4.845 ( 0.000 0.690 5.119) 5.166 4.873 ( 0.000 -0.157 -1.473) 1.481 5.160 ( 0.000 -2.086 10.503) 10.708 5.167 ( 0.000 -2.829 2.940) 4.080 5.342 ( 0.000 5.521 -1.497) 5.720 5.416 ( 0.000 -1.373 -1.335) 1.915 5.586 ( 0.000 0.378 -4.205) 4.222 5.608 ( 0.000 -1.748 -6.324) 6.561 5.868 ( 0.000 7.294 -2.625) 7.753 5.890 ( 0.000 3.579 -3.215) 4.811 5.964 ( 0.000 -1.954 -1.738) 2.615 6.000 ( 0.000 -2.225 -7.532) 7.854 6.009 ( 0.000 3.701 -3.085) 4.818 6.069 ( 0.000 -2.221 1.189) 2.519 6.164 ( 0.000 2.907 1.896) 3.471 6.240 ( 0.000 -4.458 0.284) 4.467 6.397 ( 0.000 -0.198 -0.879) 0.901 6.397 ( 0.000 1.657 1.515) 2.245 6.433 ( 0.000 1.663 -0.112) 1.666 6.550 ( 0.000 -7.210 -0.440) 7.223 6.699 ( 0.000 1.160 3.218) 3.420 6.701 ( 0.000 2.358 6.197) 6.630 6.799 ( 0.000 2.928 -3.799) 4.797 6.928 ( 0.000 -7.431 -8.723) 11.459 7.167 ( 0.000 4.766 -2.176) 5.239 7.227 ( 0.000 1.336 -5.126) 5.297 7.346 ( 0.000 -1.978 -1.979) 2.798 7.347 ( 0.000 2.626 -0.935) 2.788 7.466 ( 0.000 -1.837 -0.052) 1.838 7.476 ( 0.000 -5.504 -2.581) 6.079 7.640 ( 0.000 6.109 -8.641) 10.582 7.674 ( 0.000 4.937 -3.790) 6.224 7.711 ( 0.000 -0.607 -8.185) 8.207 7.729 ( 0.000 -0.510 1.250) 1.350 7.732 ( 0.000 1.578 -2.879) 3.283 7.833 ( 0.000 -6.363 -9.958) 11.817 7.865 ( 0.000 0.058 2.195) 2.196 7.890 ( 0.000 -3.865 -1.718) 4.229 8.061 ( 0.000 4.093 -2.150) 4.623 8.119 ( 0.000 5.706 -2.341) 6.168 8.138 ( 0.000 -3.116 -3.908) 4.998 8.213 ( 0.000 -3.485 -4.904) 6.016 8.348 ( 0.000 4.069 -1.930) 4.504 8.417 ( 0.000 -2.322 -0.741) 2.437 8.421 ( 0.000 2.180 3.538) 4.156 8.438 ( 0.000 -0.087 3.832) 3.833 8.526 ( 0.000 3.933 -1.955) 4.391 8.602 ( 0.000 -1.862 -1.475) 2.375 8.870 ( 0.000 -4.725 9.767) 10.850 8.875 ( 0.000 -4.501 10.017) 10.981 9.097 ( 0.000 9.752 -0.013) 9.752 9.199 ( 0.000 3.325 -3.396) 4.753 9.394 ( 0.000 3.330 0.730) 3.409 9.551 ( 0.000 -8.052 -1.269) 8.151 9.696 ( 0.000 -0.582 4.070) 4.111 9.710 ( 0.000 -1.346 1.587) 2.081 10.149 ( 0.000 5.368 5.554) 7.725 10.281 ( 0.000 -6.399 1.552) 6.585 13.189 ( 0.000 3.148 -0.035) 3.149 13.256 ( 0.000 -3.231 -0.942) 3.365 13.625 ( 0.000 5.290 -2.368) 5.796 13.734 ( 0.000 -5.274 -2.952) 6.044 13.958 ( 0.000 5.224 -0.489) 5.247 14.061 ( 0.000 -4.520 -1.381) 4.726 14.720 ( 0.000 1.725 -19.068) 19.145 14.722 ( 0.000 2.424 -23.886) 24.009 15.547 ( 0.000 0.965 7.267) 7.330 15.565 ( 0.000 -0.737 7.991) 8.025 15.859 ( 0.000 4.310 19.070) 19.551 15.994 ( 0.000 -9.442 23.701) 25.513 16.713 ( 0.000 6.153 -0.174) 6.156 16.811 ( 0.000 1.798 -1.793) 2.539 16.830 ( 0.000 -4.795 -0.488) 4.820 16.861 ( 0.000 -2.944 -2.256) 3.709 ======================= Grid point 36 (17/36) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 3.292 11.583 3.343) 12.497 1.144 ( 1.647 0.740 3.314) 3.774 1.210 ( 7.448 7.279 7.961) 13.108 1.378 ( 6.097 -5.732 5.184) 9.844 1.421 ( -2.683 1.167 2.991) 4.184 1.455 ( -4.162 -2.195 1.985) 5.107 1.495 ( 2.714 4.720 2.598) 6.032 1.622 ( 5.284 -4.383 1.658) 7.063 1.663 ( 2.137 2.246 1.995) 3.686 1.691 ( 2.716 -2.260 1.795) 3.963 1.717 ( 0.544 -0.819 4.090) 4.206 1.760 ( 4.492 -3.803 3.708) 6.956 1.845 ( 2.052 1.985 0.497) 2.898 1.914 ( 4.492 -4.324 2.867) 6.863 2.072 ( 8.016 19.819 5.911) 22.181 2.139 ( -8.420 5.247 6.747) 11.997 2.219 ( -4.735 -0.167 2.372) 5.298 2.248 ( -5.522 -0.832 2.233) 6.014 2.310 ( -1.831 6.279 -1.825) 6.790 2.351 ( 1.240 6.617 4.865) 8.306 2.392 ( -0.237 4.725 1.952) 5.118 2.511 ( -2.914 7.424 -2.994) 8.519 2.537 ( 1.802 -2.704 2.452) 4.071 2.634 ( 0.275 -4.383 5.787) 7.265 2.648 ( 0.924 -3.098 8.102) 8.723 2.705 ( -1.752 -5.401 4.023) 6.959 2.765 ( 0.324 -0.362 0.155) 0.510 2.782 ( 0.677 -2.542 -0.489) 2.676 2.856 ( 1.358 2.176 1.290) 2.871 2.911 ( -1.444 -2.163 -1.967) 3.260 2.943 ( -3.709 -1.141 2.358) 4.541 2.994 ( 0.386 -9.152 3.104) 9.671 3.200 ( -4.499 4.815 -1.595) 6.780 3.303 ( -6.387 -4.258 -3.121) 8.287 3.375 ( -1.131 3.285 2.358) 4.199 3.436 ( -1.265 -2.409 1.056) 2.919 3.531 ( -3.303 -0.118 -1.572) 3.660 3.548 ( -2.334 -0.760 -5.729) 6.233 3.915 ( 2.388 5.615 11.973) 13.439 4.045 ( 0.570 -6.863 10.218) 12.322 4.136 ( 2.364 5.588 10.598) 12.212 4.190 ( 1.288 -0.292 1.938) 2.345 4.258 ( 0.770 -6.676 -0.375) 6.731 4.292 ( -0.529 -8.451 10.659) 13.613 4.711 ( -2.200 2.465 0.038) 3.304 4.756 ( -2.339 -0.883 0.175) 2.506 4.854 ( 0.185 0.241 3.600) 3.613 4.880 ( 0.820 -1.941 -2.600) 3.347 5.185 ( 1.630 -1.050 5.443) 5.778 5.196 ( 2.208 -1.104 6.969) 7.394 5.294 ( -3.474 5.121 -0.620) 6.219 5.394 ( -2.367 -3.477 -0.780) 4.278 5.616 ( 2.711 0.691 -5.342) 6.030 5.638 ( 2.485 -1.412 -6.228) 6.853 5.869 ( 0.740 5.770 -4.461) 7.331 5.915 ( 1.533 2.822 -3.299) 4.604 5.974 ( 1.013 -2.098 -3.912) 4.554 5.978 ( -0.518 -1.142 -5.451) 5.593 6.041 ( 0.197 1.512 -2.661) 3.067 6.073 ( 0.336 -1.722 1.685) 2.433 6.184 ( 2.097 3.810 1.617) 4.640 6.240 ( 0.130 -2.354 2.725) 3.604 6.362 ( -1.140 0.025 -1.278) 1.713 6.395 ( -1.800 -2.914 0.441) 3.454 6.474 ( 3.814 3.935 -0.602) 5.513 6.560 ( 0.814 -4.051 -1.713) 4.473 6.658 ( -2.127 3.238 0.224) 3.881 6.709 ( -1.495 -1.966 3.419) 4.217 6.839 ( 3.663 3.900 -0.504) 5.374 6.951 ( 1.884 -5.771 -3.474) 6.995 7.169 ( 0.328 3.306 -4.507) 5.599 7.221 ( -0.717 -0.594 -3.684) 3.800 7.330 ( -2.233 -1.163 -0.186) 2.524 7.352 ( -1.530 0.847 -2.507) 3.057 7.393 ( -2.514 1.857 -4.904) 5.816 7.449 ( -2.470 -3.745 -7.228) 8.506 7.582 ( -3.348 4.111 -1.390) 5.482 7.610 ( -2.806 1.413 -2.432) 3.973 7.690 ( -2.204 2.043 1.005) 3.169 7.765 ( 0.340 0.102 -4.391) 4.405 7.779 ( 3.565 1.138 -4.430) 5.799 7.810 ( 1.722 -2.085 0.424) 2.737 7.912 ( 1.694 -1.651 -0.756) 2.484 7.958 ( 4.024 -3.620 -6.165) 8.203 8.022 ( -3.157 2.450 -2.020) 4.478 8.054 ( -1.965 0.312 -1.566) 2.532 8.168 ( -1.326 -0.002 -2.989) 3.269 8.187 ( -1.502 -1.870 1.320) 2.738 8.329 ( -0.353 2.684 -2.015) 3.375 8.389 ( -1.509 -2.815 1.036) 3.358 8.460 ( 2.980 2.552 1.635) 4.251 8.502 ( 4.422 -1.368 -1.338) 4.818 8.584 ( 4.394 4.419 -0.702) 6.271 8.624 ( 0.866 0.351 -1.407) 1.689 8.810 ( -5.196 -1.942 8.419) 10.082 8.886 ( 0.349 -7.854 5.717) 9.720 9.107 ( 0.954 9.886 -1.245) 10.010 9.198 ( -0.114 4.639 -3.474) 5.797 9.391 ( 0.081 1.495 -1.555) 2.159 9.523 ( -2.233 -7.267 -3.028) 8.183 9.742 ( 3.882 -0.597 3.555) 5.298 9.756 ( 3.975 -1.624 4.146) 5.969 10.111 ( -3.274 3.601 6.557) 8.166 10.202 ( -6.299 -4.191 3.167) 8.203 13.251 ( 3.880 1.054 -0.830) 4.105 13.294 ( 2.751 -3.083 -1.230) 4.311 13.734 ( 9.193 4.167 -3.289) 10.616 13.825 ( 7.791 -4.383 -4.288) 9.915 13.970 ( 1.785 4.904 -0.961) 5.306 14.067 ( 0.993 -4.292 -1.710) 4.726 14.661 ( -5.348 1.952 -17.951) 18.832 14.677 ( -4.322 0.738 -20.974) 21.428 15.553 ( 0.526 0.831 7.824) 7.886 15.569 ( 0.324 -0.699 8.629) 8.663 15.835 ( -1.931 3.267 18.030) 18.425 15.940 ( -4.614 -7.354 22.577) 24.188 16.711 ( -0.152 6.109 -0.331) 6.119 16.769 ( -2.731 3.905 -1.445) 4.979 16.832 ( -0.210 -4.787 -0.751) 4.850 16.851 ( -0.857 -3.641 -2.005) 4.244 ======================= Grid point 37 (18/36) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.995 3.289 -2.030) 6.316 1.162 ( 0.485 -1.693 -1.277) 2.175 1.347 ( -1.871 1.178 -0.096) 2.213 1.361 ( -3.422 -0.439 -0.428) 3.476 1.400 ( 6.930 5.363 5.468) 10.329 1.489 ( 2.126 -2.055 1.838) 3.481 1.600 ( 0.766 2.647 3.217) 4.235 1.615 ( 0.567 0.286 4.633) 4.676 1.659 ( 2.436 2.978 2.762) 4.736 1.760 ( 4.677 -2.164 1.156) 5.282 1.831 ( 2.864 -1.957 1.043) 3.622 1.836 ( 1.855 -1.365 0.043) 2.303 1.914 ( -5.189 3.036 2.407) 6.476 1.927 ( 0.133 2.953 1.153) 3.173 2.036 ( 3.057 -0.561 5.642) 6.441 2.083 ( -4.746 -3.897 7.536) 9.721 2.176 ( -0.637 2.964 -1.333) 3.312 2.189 ( -0.877 2.030 -2.013) 2.991 2.323 ( 2.525 13.827 0.438) 14.062 2.381 ( -1.115 12.128 3.363) 12.635 2.413 ( -1.917 3.230 -2.068) 4.288 2.459 ( 7.542 6.075 2.774) 10.073 2.518 ( -3.753 4.367 6.160) 8.432 2.592 ( 1.212 -7.459 6.222) 9.788 2.671 ( -1.182 -5.734 10.055) 11.635 2.739 ( 0.814 2.368 8.247) 8.619 2.746 ( -1.058 -0.476 -1.912) 2.236 2.794 ( 0.168 -1.474 -1.441) 2.068 2.828 ( -3.426 2.221 0.240) 4.090 2.840 ( -3.943 1.651 0.587) 4.315 2.941 ( 3.700 -4.914 4.727) 7.758 3.018 ( -1.399 -9.352 4.499) 10.472 3.148 ( 1.234 1.000 -2.411) 2.887 3.201 ( -2.899 -3.348 -1.415) 4.649 3.336 ( -0.131 0.575 5.671) 5.701 3.396 ( -3.658 -3.945 5.728) 7.858 3.442 ( -2.579 1.412 -0.116) 2.943 3.469 ( -4.223 -2.044 -1.475) 4.918 3.983 ( 3.721 3.443 10.284) 11.466 4.042 ( -1.448 -1.765 9.457) 9.729 4.193 ( 2.889 1.357 6.880) 7.584 4.226 ( 1.876 -2.085 4.959) 5.698 4.250 ( -1.697 -3.993 3.891) 5.828 4.268 ( -1.520 -5.717 6.872) 9.068 4.690 ( 0.395 1.377 -0.189) 1.445 4.716 ( -1.639 -1.140 -1.115) 2.287 4.865 ( 1.427 1.560 -0.523) 2.178 4.894 ( -0.360 -0.692 -3.598) 3.682 5.209 ( 0.428 1.244 3.759) 3.982 5.213 ( -0.532 3.993 3.954) 5.644 5.267 ( 1.633 -3.307 2.495) 4.453 5.325 ( -3.648 -5.288 0.904) 6.487 5.673 ( 2.086 0.903 -6.490) 6.877 5.684 ( 1.165 -0.056 -6.625) 6.727 5.902 ( 2.255 3.034 -6.531) 7.546 5.937 ( -0.081 0.290 -5.573) 5.581 5.969 ( 0.063 0.122 -4.637) 4.639 5.989 ( -0.872 -0.848 -3.683) 3.879 6.035 ( 1.056 0.323 -0.132) 1.112 6.067 ( -1.156 -1.832 0.180) 2.174 6.231 ( 1.872 2.311 2.471) 3.867 6.250 ( 0.325 0.156 3.797) 3.814 6.350 ( -0.091 0.202 -1.633) 1.648 6.360 ( -0.985 -1.310 -0.902) 1.871 6.564 ( 3.177 2.106 -1.641) 4.149 6.578 ( 1.872 0.684 -1.828) 2.704 6.606 ( -2.397 2.482 -0.133) 3.453 6.655 ( -3.263 -1.934 0.131) 3.795 6.935 ( 5.102 1.432 0.278) 5.306 6.987 ( 0.892 -3.048 1.020) 3.335 7.138 ( -3.380 -0.578 -2.718) 4.376 7.150 ( -4.720 -1.637 -3.465) 6.080 7.319 ( 3.046 2.786 -2.525) 4.839 7.352 ( 1.564 0.926 -5.083) 5.398 7.389 ( 0.295 0.518 -5.320) 5.353 7.413 ( -1.380 -1.864 -5.265) 5.754 7.509 ( -2.220 2.270 0.492) 3.213 7.545 ( -3.901 -0.322 -2.527) 4.659 7.697 ( 2.518 4.222 2.187) 5.380 7.747 ( -1.785 2.242 -1.034) 3.047 7.852 ( 3.100 0.321 -2.896) 4.255 7.865 ( 2.372 1.245 -1.713) 3.179 7.921 ( -0.510 -2.509 -3.297) 4.175 7.948 ( -2.624 -2.664 -5.016) 6.256 8.006 ( 1.402 0.378 0.639) 1.586 8.062 ( -1.711 -4.459 -3.302) 5.806 8.111 ( 0.229 1.286 4.864) 5.037 8.155 ( -2.170 -3.012 3.687) 5.232 8.344 ( 1.411 0.382 -1.817) 2.332 8.369 ( -0.823 -1.936 -0.414) 2.144 8.539 ( 3.947 4.427 1.735) 6.179 8.563 ( 1.256 2.175 -0.170) 2.518 8.609 ( -0.179 0.381 -0.630) 0.758 8.671 ( -3.450 -4.247 3.774) 6.647 8.727 ( 4.013 3.177 -0.502) 5.143 8.844 ( -4.703 -6.661 0.234) 8.158 9.143 ( 2.319 10.037 -2.481) 10.596 9.185 ( -1.390 8.109 -2.888) 8.719 9.413 ( 2.157 -3.127 -4.678) 6.026 9.469 ( -2.840 -6.015 -4.911) 8.268 9.833 ( 3.882 -0.519 2.853) 4.846 9.841 ( 3.235 -1.153 3.442) 4.863 10.042 ( -2.316 0.261 8.771) 9.075 10.073 ( -5.128 -2.202 6.440) 8.522 13.313 ( 2.019 -0.406 -1.020) 2.298 13.331 ( 0.405 -2.163 -1.125) 2.471 13.895 ( 4.062 2.829 -3.194) 5.891 13.922 ( 0.761 0.617 -2.716) 2.887 14.090 ( 7.976 1.938 -5.742) 10.017 14.136 ( 4.574 -2.794 -5.267) 7.514 14.530 ( -5.154 0.336 -14.254) 15.161 14.557 ( -6.213 -2.032 -15.916) 17.206 15.566 ( 0.666 0.378 9.269) 9.301 15.574 ( 0.009 -0.346 9.827) 9.833 15.806 ( -0.218 0.621 16.528) 16.541 15.843 ( -3.768 -3.129 18.777) 19.405 16.710 ( 0.221 6.018 -0.662) 6.059 16.725 ( -1.346 5.667 -1.004) 5.911 16.827 ( -0.051 -4.835 -1.177) 4.977 16.833 ( -0.637 -4.527 -1.495) 4.810 ======================= Grid point 50 (19/36) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 0.000 20.892) 20.892 0.966 ( 0.000 0.000 22.697) 22.697 1.316 ( 0.000 0.000 5.788) 5.788 1.420 ( 0.000 0.000 10.064) 10.064 1.476 ( 0.000 0.000 0.514) 0.514 1.491 ( 0.000 0.000 17.962) 17.962 1.548 ( 0.000 0.000 6.300) 6.300 1.644 ( 0.000 0.000 -2.815) 2.815 1.649 ( 0.000 0.000 -6.178) 6.178 1.672 ( 0.000 0.000 1.543) 1.543 1.733 ( 0.000 0.000 4.542) 4.542 1.765 ( 0.000 0.000 -3.848) 3.848 2.011 ( 0.000 0.000 15.718) 15.718 2.075 ( 0.000 0.000 -4.523) 4.523 2.080 ( 0.000 0.000 1.062) 1.062 2.120 ( 0.000 0.000 7.705) 7.705 2.139 ( 0.000 0.000 -0.720) 0.720 2.198 ( 0.000 0.000 4.815) 4.815 2.231 ( 0.000 0.000 1.001) 1.001 2.317 ( 0.000 0.000 -3.505) 3.505 2.394 ( 0.000 0.000 -1.638) 1.638 2.426 ( 0.000 0.000 4.000) 4.000 2.612 ( 0.000 0.000 0.255) 0.255 2.682 ( 0.000 0.000 3.919) 3.919 2.693 ( 0.000 0.000 -3.409) 3.409 2.810 ( 0.000 0.000 -1.880) 1.880 2.839 ( 0.000 0.000 -0.539) 0.539 2.880 ( 0.000 0.000 9.733) 9.733 2.888 ( 0.000 0.000 4.813) 4.813 2.944 ( 0.000 0.000 0.044) 0.044 3.015 ( 0.000 0.000 -3.036) 3.036 3.194 ( 0.000 0.000 12.357) 12.357 3.204 ( 0.000 0.000 -0.567) 0.567 3.286 ( 0.000 0.000 -3.387) 3.387 3.356 ( 0.000 0.000 -3.589) 3.589 3.407 ( 0.000 0.000 -2.078) 2.078 3.448 ( 0.000 0.000 0.197) 0.197 3.678 ( 0.000 0.000 -3.755) 3.755 4.082 ( 0.000 0.000 21.092) 21.092 4.269 ( 0.000 0.000 2.760) 2.760 4.307 ( 0.000 0.000 15.865) 15.865 4.502 ( 0.000 0.000 7.717) 7.717 4.607 ( 0.000 0.000 -5.519) 5.519 4.618 ( 0.000 0.000 14.161) 14.161 4.653 ( 0.000 0.000 6.008) 6.008 4.860 ( 0.000 0.000 1.827) 1.827 4.967 ( 0.000 0.000 4.457) 4.457 5.083 ( 0.000 0.000 11.909) 11.909 5.084 ( 0.000 0.000 2.640) 2.640 5.326 ( 0.000 0.000 -3.395) 3.395 5.329 ( 0.000 0.000 1.060) 1.060 5.391 ( 0.000 0.000 -3.921) 3.921 5.458 ( 0.000 0.000 -14.602) 14.602 5.574 ( 0.000 0.000 -13.951) 13.951 5.590 ( 0.000 0.000 7.518) 7.518 5.629 ( 0.000 0.000 -3.485) 3.485 5.785 ( 0.000 0.000 -1.668) 1.668 5.860 ( 0.000 0.000 -3.099) 3.099 5.987 ( 0.000 0.000 -0.576) 0.576 6.066 ( 0.000 0.000 0.046) 0.046 6.127 ( 0.000 0.000 1.324) 1.324 6.320 ( 0.000 0.000 -3.439) 3.439 6.342 ( 0.000 0.000 -1.888) 1.888 6.374 ( 0.000 0.000 4.776) 4.776 6.506 ( 0.000 0.000 0.214) 0.214 6.507 ( 0.000 0.000 0.599) 0.599 6.555 ( 0.000 0.000 -0.812) 0.812 6.844 ( 0.000 0.000 -1.297) 1.297 6.895 ( 0.000 0.000 -6.830) 6.830 6.938 ( 0.000 0.000 3.807) 3.807 7.116 ( 0.000 0.000 -3.026) 3.026 7.135 ( 0.000 0.000 -2.106) 2.106 7.196 ( 0.000 0.000 -9.845) 9.845 7.323 ( 0.000 0.000 10.711) 10.711 7.367 ( 0.000 0.000 3.803) 3.803 7.373 ( 0.000 0.000 -15.781) 15.781 7.463 ( 0.000 0.000 -10.884) 10.884 7.549 ( 0.000 0.000 -13.170) 13.170 7.683 ( 0.000 0.000 6.317) 6.317 7.706 ( 0.000 0.000 -6.671) 6.671 7.778 ( 0.000 0.000 -4.436) 4.436 7.811 ( 0.000 0.000 -4.726) 4.726 7.836 ( 0.000 0.000 2.195) 2.195 7.875 ( 0.000 0.000 4.294) 4.294 8.021 ( 0.000 0.000 -2.011) 2.011 8.043 ( 0.000 0.000 2.909) 2.909 8.073 ( 0.000 0.000 -3.419) 3.419 8.116 ( 0.000 0.000 -1.683) 1.683 8.117 ( 0.000 0.000 -8.076) 8.076 8.171 ( 0.000 0.000 -4.185) 4.185 8.522 ( 0.000 0.000 2.178) 2.178 8.594 ( 0.000 0.000 0.151) 0.151 8.603 ( 0.000 0.000 8.149) 8.149 8.619 ( 0.000 0.000 9.676) 9.676 8.760 ( 0.000 0.000 2.664) 2.664 8.988 ( 0.000 0.000 -0.731) 0.731 9.187 ( 0.000 0.000 -7.026) 7.026 9.306 ( 0.000 0.000 0.194) 0.194 9.358 ( 0.000 0.000 -8.826) 8.826 9.360 ( 0.000 0.000 6.964) 6.964 9.818 ( 0.000 0.000 3.413) 3.413 9.832 ( 0.000 0.000 1.566) 1.566 10.269 ( 0.000 0.000 6.943) 6.943 10.387 ( 0.000 0.000 1.705) 1.705 13.122 ( 0.000 0.000 0.766) 0.766 13.219 ( 0.000 0.000 -2.191) 2.191 13.490 ( 0.000 0.000 2.028) 2.028 13.768 ( 0.000 0.000 -6.486) 6.486 13.864 ( 0.000 0.000 3.108) 3.108 14.114 ( 0.000 0.000 -1.509) 1.509 14.230 ( 0.000 0.000 -6.191) 6.191 14.365 ( 0.000 0.000 -14.618) 14.618 15.679 ( 0.000 0.000 8.994) 8.994 15.778 ( 0.000 0.000 9.314) 9.314 16.075 ( 0.000 0.000 14.221) 14.221 16.522 ( 0.000 0.000 -2.091) 2.091 16.528 ( 0.000 0.000 2.597) 2.597 16.836 ( 0.000 0.000 -4.986) 4.986 16.964 ( 0.000 0.000 0.335) 0.335 16.964 ( 0.000 0.000 0.442) 0.442 ======================= Grid point 51 (20/36) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -1.953 0.000 17.243) 17.353 0.997 ( 8.822 0.000 17.598) 19.685 1.241 ( -3.393 0.000 3.257) 4.703 1.423 ( -5.600 0.000 -1.754) 5.868 1.495 ( 1.502 0.000 5.152) 5.366 1.531 ( -7.707 0.000 -3.174) 8.335 1.538 ( 1.462 0.000 7.184) 7.331 1.627 ( 5.565 0.000 4.471) 7.139 1.707 ( 0.688 0.000 0.843) 1.088 1.718 ( 7.529 0.000 1.579) 7.693 1.745 ( -1.398 0.000 -3.265) 3.552 1.771 ( 4.087 0.000 5.922) 7.195 2.027 ( -3.928 0.000 -2.779) 4.812 2.033 ( 1.848 0.000 11.339) 11.489 2.077 ( -3.479 0.000 4.148) 5.414 2.082 ( -1.541 0.000 0.958) 1.815 2.136 ( -1.930 0.000 3.199) 3.736 2.160 ( 2.578 0.000 6.549) 7.038 2.167 ( -6.668 0.000 0.360) 6.678 2.290 ( -3.579 0.000 6.089) 7.063 2.424 ( 2.601 0.000 -1.941) 3.245 2.433 ( -0.696 0.000 -2.287) 2.391 2.540 ( -0.222 0.000 2.054) 2.066 2.710 ( -0.547 0.000 10.016) 10.031 2.712 ( 1.569 0.000 -1.639) 2.269 2.803 ( -0.406 0.000 -3.080) 3.107 2.816 ( -0.978 0.000 10.268) 10.314 2.832 ( -1.305 0.000 0.304) 1.339 2.921 ( 1.034 0.000 4.315) 4.437 3.016 ( 5.569 0.000 0.029) 5.569 3.045 ( 2.493 0.000 -0.478) 2.539 3.140 ( -2.925 0.000 9.796) 10.223 3.278 ( 5.832 0.000 -2.883) 6.505 3.308 ( -2.570 0.000 1.380) 2.917 3.336 ( -1.831 0.000 -3.306) 3.779 3.410 ( 2.307 0.000 2.004) 3.056 3.451 ( 0.280 0.000 1.720) 1.743 3.645 ( -3.798 0.000 -2.453) 4.521 4.098 ( 1.684 0.000 19.929) 20.000 4.259 ( -0.439 0.000 6.259) 6.275 4.351 ( 3.699 0.000 9.802) 10.477 4.436 ( -5.460 0.000 11.221) 12.479 4.516 ( -6.910 0.000 -4.672) 8.341 4.649 ( -2.740 0.000 9.153) 9.554 4.667 ( 4.048 0.000 9.950) 10.742 4.840 ( 0.091 0.000 -2.303) 2.305 4.940 ( -2.685 0.000 2.854) 3.919 5.035 ( -3.528 0.000 7.383) 8.182 5.111 ( 2.730 0.000 3.289) 4.274 5.291 ( -2.408 0.000 3.001) 3.848 5.366 ( -1.892 0.000 -3.940) 4.371 5.382 ( 2.735 0.000 -2.575) 3.756 5.460 ( 0.402 0.000 -13.609) 13.615 5.560 ( 0.363 0.000 -4.105) 4.121 5.663 ( 2.990 0.000 -5.052) 5.870 5.677 ( 5.193 0.000 -4.453) 6.841 5.817 ( 2.699 0.000 -1.353) 3.019 5.893 ( 2.427 0.000 -4.142) 4.800 5.973 ( -0.773 0.000 -1.195) 1.423 6.079 ( 1.328 0.000 1.737) 2.186 6.122 ( -1.051 0.000 0.196) 1.069 6.294 ( -2.607 0.000 -0.737) 2.709 6.344 ( 0.655 0.000 -1.315) 1.470 6.414 ( 3.616 0.000 4.022) 5.409 6.485 ( -2.000 0.000 2.354) 3.089 6.506 ( 0.330 0.000 0.427) 0.540 6.598 ( 3.682 0.000 -3.599) 5.149 6.795 ( -4.496 0.000 -0.435) 4.517 6.886 ( -0.227 0.000 -8.013) 8.016 6.928 ( -0.721 0.000 -0.243) 0.761 7.082 ( -3.123 0.000 -3.451) 4.654 7.187 ( -1.188 0.000 -10.042) 10.112 7.188 ( 2.706 0.000 2.181) 3.475 7.309 ( 1.058 0.000 6.893) 6.974 7.310 ( -5.714 0.000 -13.952) 15.077 7.379 ( 0.259 0.000 2.030) 2.046 7.453 ( -1.338 0.000 -6.180) 6.323 7.494 ( -0.914 0.000 -6.697) 6.759 7.587 ( -7.254 0.000 -6.655) 9.844 7.680 ( -3.167 0.000 -1.147) 3.368 7.809 ( 5.161 0.000 3.789) 6.402 7.840 ( -0.340 0.000 -10.747) 10.753 7.853 ( 3.122 0.000 -3.659) 4.810 7.968 ( 3.954 0.000 3.776) 5.468 7.975 ( -1.784 0.000 -1.713) 2.473 8.029 ( 0.223 0.000 1.570) 1.586 8.076 ( 2.705 0.000 0.714) 2.797 8.191 ( 2.395 0.000 -3.443) 4.194 8.254 ( 8.811 0.000 -1.182) 8.890 8.308 ( 11.971 0.000 -4.865) 12.922 8.505 ( -2.201 0.000 4.439) 4.955 8.537 ( -0.759 0.000 5.832) 5.881 8.576 ( -1.493 0.000 0.511) 1.578 8.686 ( 3.043 0.000 5.727) 6.485 8.720 ( -3.750 0.000 2.578) 4.551 8.953 ( -3.228 0.000 -1.485) 3.553 9.193 ( -4.718 0.000 0.466) 4.741 9.211 ( -7.547 0.000 0.367) 7.556 9.260 ( -2.924 0.000 -0.906) 3.061 9.368 ( -0.156 0.000 -8.756) 8.757 9.872 ( 3.225 0.000 1.682) 3.637 9.887 ( 4.688 0.000 2.784) 5.452 10.263 ( -0.596 0.000 6.836) 6.862 10.321 ( -4.589 0.000 4.532) 6.450 13.259 ( 3.480 0.000 -1.671) 3.860 13.291 ( 9.990 0.000 -5.673) 11.488 13.561 ( 7.134 0.000 -0.688) 7.167 13.767 ( -0.089 0.000 -5.862) 5.862 13.873 ( 1.169 0.000 2.709) 2.950 14.153 ( 3.670 0.000 -4.614) 5.896 14.201 ( -3.180 0.000 -6.797) 7.504 14.354 ( -0.909 0.000 -13.734) 13.765 15.695 ( 1.496 0.000 9.195) 9.316 15.788 ( 0.630 0.000 9.487) 9.508 16.073 ( 0.450 0.000 14.158) 14.166 16.496 ( -3.350 0.000 -1.493) 3.667 16.536 ( 0.736 0.000 2.555) 2.658 16.746 ( -10.566 0.000 5.102) 11.734 16.885 ( -1.649 0.000 -1.678) 2.353 16.948 ( -1.402 0.000 -0.358) 1.447 ======================= Grid point 52 (21/36) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 9.616 0.000 2.795) 10.014 1.181 ( -0.173 0.000 4.459) 4.462 1.234 ( 2.934 0.000 -1.645) 3.364 1.273 ( -0.663 0.000 1.597) 1.729 1.364 ( -6.953 0.000 -2.704) 7.460 1.452 ( -6.651 0.000 5.808) 8.830 1.575 ( 3.810 0.000 3.363) 5.082 1.671 ( -3.948 0.000 -1.766) 4.325 1.727 ( 4.381 0.000 2.024) 4.826 1.743 ( 0.906 0.000 2.399) 2.564 1.790 ( 1.369 0.000 2.198) 2.589 1.904 ( 5.189 0.000 3.004) 5.996 1.916 ( -9.169 0.000 1.963) 9.377 1.982 ( -3.904 0.000 1.325) 4.123 2.020 ( -0.022 0.000 -0.391) 0.392 2.050 ( -1.980 0.000 -2.920) 3.528 2.067 ( 1.459 0.000 3.590) 3.875 2.105 ( -2.136 0.000 2.250) 3.103 2.273 ( 3.253 0.000 9.924) 10.443 2.277 ( 0.752 0.000 9.269) 9.300 2.395 ( 1.101 0.000 0.636) 1.272 2.439 ( -1.307 0.000 -1.158) 1.747 2.629 ( 5.750 0.000 0.133) 5.752 2.718 ( 3.376 0.000 16.266) 16.613 2.726 ( -2.182 0.000 -0.539) 2.248 2.781 ( -1.355 0.000 0.389) 1.410 2.810 ( -0.149 0.000 0.895) 0.907 2.820 ( -0.264 0.000 3.599) 3.609 2.937 ( 1.683 0.000 5.644) 5.889 3.034 ( -5.763 0.000 14.689) 15.780 3.123 ( 4.042 0.000 6.637) 7.771 3.151 ( 2.897 0.000 1.721) 3.369 3.228 ( -0.966 0.000 3.185) 3.329 3.282 ( -3.200 0.000 -1.515) 3.541 3.393 ( 4.314 0.000 -4.353) 6.128 3.444 ( -0.576 0.000 -1.993) 2.075 3.468 ( 1.655 0.000 7.955) 8.125 3.536 ( -5.334 0.000 3.097) 6.168 4.163 ( 4.729 0.000 16.546) 17.209 4.257 ( -0.833 0.000 7.467) 7.513 4.313 ( -4.298 0.000 8.017) 9.096 4.365 ( -6.393 0.000 -3.394) 7.239 4.446 ( 5.137 0.000 8.633) 10.046 4.555 ( -5.242 0.000 9.936) 11.234 4.765 ( 4.994 0.000 6.285) 8.028 4.862 ( -3.570 0.000 4.358) 5.633 4.885 ( 2.429 0.000 -3.060) 3.907 4.958 ( -3.807 0.000 1.704) 4.171 5.182 ( 3.430 0.000 3.805) 5.123 5.240 ( -2.392 0.000 4.926) 5.476 5.343 ( 0.301 0.000 -7.404) 7.411 5.379 ( -2.282 0.000 -10.201) 10.453 5.506 ( 3.252 0.000 -2.953) 4.393 5.557 ( -1.283 0.000 -1.830) 2.235 5.731 ( 2.843 0.000 -7.042) 7.594 5.754 ( 1.270 0.000 -7.101) 7.214 5.877 ( 2.776 0.000 -3.240) 4.267 5.918 ( -0.612 0.000 -5.245) 5.280 5.990 ( 2.838 0.000 -2.322) 3.667 6.067 ( -3.710 0.000 -2.573) 4.514 6.134 ( 3.713 0.000 4.662) 5.960 6.220 ( -4.176 0.000 3.001) 5.142 6.374 ( 2.008 0.000 -0.640) 2.107 6.421 ( -2.399 0.000 -0.113) 2.401 6.534 ( 6.109 0.000 3.717) 7.151 6.544 ( 3.558 0.000 0.639) 3.615 6.628 ( -2.260 0.000 -0.894) 2.430 6.675 ( -6.570 0.000 1.397) 6.716 6.905 ( 3.218 0.000 -6.756) 7.483 6.963 ( 4.654 0.000 -8.987) 10.121 6.997 ( -4.724 0.000 -5.282) 7.086 7.105 ( -7.543 0.000 -12.924) 14.964 7.199 ( -0.442 0.000 2.746) 2.781 7.207 ( -1.894 0.000 -3.329) 3.830 7.352 ( 2.042 0.000 -0.134) 2.047 7.404 ( -2.809 0.000 -1.824) 3.349 7.442 ( 5.189 0.000 1.104) 5.305 7.507 ( -1.846 0.000 -7.408) 7.635 7.512 ( 2.170 0.000 -4.595) 5.082 7.597 ( -4.876 0.000 1.041) 4.986 7.836 ( 0.321 0.000 -12.320) 12.325 7.857 ( -0.736 0.000 -5.562) 5.611 7.875 ( 2.109 0.000 0.027) 2.109 7.947 ( -3.440 0.000 4.701) 5.826 8.040 ( 4.099 0.000 2.254) 4.678 8.074 ( 0.897 0.000 2.974) 3.107 8.161 ( 5.025 0.000 0.692) 5.072 8.223 ( -0.040 0.000 -1.602) 1.602 8.421 ( 4.391 0.000 0.346) 4.404 8.439 ( -0.102 0.000 1.591) 1.594 8.506 ( 4.282 0.000 2.663) 5.043 8.574 ( 3.937 0.000 3.247) 5.103 8.616 ( -5.756 0.000 2.113) 6.132 8.637 ( 6.498 0.000 -1.442) 6.656 8.731 ( 1.921 0.000 2.584) 3.220 8.859 ( -6.044 0.000 -2.851) 6.682 9.004 ( -6.658 0.000 4.877) 8.253 9.037 ( -7.742 0.000 1.710) 7.929 9.299 ( 2.783 0.000 -7.608) 8.101 9.347 ( -1.746 0.000 -8.509) 8.687 9.938 ( 2.517 0.000 1.574) 2.969 9.955 ( 1.235 0.000 1.760) 2.150 10.248 ( -0.635 0.000 6.788) 6.818 10.253 ( -1.565 0.000 6.504) 6.690 13.342 ( 3.885 0.000 -1.239) 4.078 13.389 ( 0.191 0.000 -2.857) 2.863 13.715 ( 4.811 0.000 -5.305) 7.162 13.761 ( -0.734 0.000 -4.808) 4.864 13.942 ( 6.179 0.000 -0.830) 6.234 14.092 ( -6.965 0.000 -5.754) 9.035 14.250 ( 4.838 0.000 -10.708) 11.750 14.325 ( -2.244 0.000 -12.925) 13.118 15.738 ( 2.447 0.000 9.654) 9.959 15.783 ( -1.461 0.000 9.825) 9.934 16.134 ( 6.183 0.000 13.332) 14.696 16.327 ( -11.341 0.000 8.718) 14.305 16.557 ( 1.204 0.000 2.712) 2.967 16.594 ( -3.033 0.000 4.826) 5.700 16.886 ( 0.914 0.000 -2.984) 3.120 16.914 ( -1.687 0.000 -1.830) 2.489 ======================= Grid point 55 (22/36) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 9.248 15.069) 17.681 1.051 ( 0.000 7.709 19.236) 20.723 1.316 ( 0.000 -0.113 5.811) 5.812 1.428 ( 0.000 -0.132 6.010) 6.011 1.471 ( 0.000 -0.228 0.842) 0.872 1.541 ( 0.000 -1.995 2.115) 2.908 1.589 ( 0.000 7.087 11.833) 13.792 1.605 ( 0.000 -0.200 1.463) 1.476 1.659 ( 0.000 1.517 -0.917) 1.772 1.712 ( 0.000 1.390 -0.321) 1.427 1.726 ( 0.000 -1.152 3.056) 3.266 1.749 ( 0.000 -0.928 -3.899) 4.008 1.999 ( 0.000 2.159 19.072) 19.194 2.028 ( 0.000 -5.386 1.995) 5.744 2.127 ( 0.000 -5.328 7.878) 9.511 2.136 ( 0.000 2.732 -0.847) 2.861 2.184 ( 0.000 3.457 -1.209) 3.662 2.204 ( 0.000 3.207 -4.126) 5.225 2.230 ( 0.000 7.485 5.798) 9.468 2.356 ( 0.000 0.600 0.977) 1.147 2.364 ( 0.000 2.382 0.196) 2.390 2.522 ( 0.000 3.712 -0.483) 3.744 2.575 ( 0.000 -2.570 -3.339) 4.214 2.712 ( 0.000 0.845 3.455) 3.557 2.719 ( 0.000 2.611 1.986) 3.281 2.763 ( 0.000 -1.112 1.558) 1.914 2.782 ( 0.000 -2.565 -2.888) 3.863 2.889 ( 0.000 -1.066 3.105) 3.283 2.944 ( 0.000 2.228 5.564) 5.993 2.992 ( 0.000 -0.951 2.658) 2.822 3.013 ( 0.000 5.963 2.500) 6.466 3.151 ( 0.000 -3.298 1.289) 3.541 3.186 ( 0.000 -0.651 9.002) 9.026 3.315 ( 0.000 1.610 -1.803) 2.418 3.348 ( 0.000 -0.446 -2.502) 2.542 3.417 ( 0.000 -2.527 -1.019) 2.725 3.446 ( 0.000 2.069 -3.662) 4.206 3.616 ( 0.000 -5.927 -2.548) 6.452 4.119 ( 0.000 2.861 19.220) 19.432 4.234 ( 0.000 -3.363 1.551) 3.704 4.292 ( 0.000 -2.501 9.306) 9.636 4.421 ( 0.000 -6.515 10.365) 12.242 4.486 ( 0.000 -4.760 10.360) 11.401 4.628 ( 0.000 -2.842 6.762) 7.335 4.719 ( 0.000 4.151 3.808) 5.633 4.845 ( 0.000 -0.827 0.289) 0.876 4.916 ( 0.000 -4.131 4.843) 6.366 5.017 ( 0.000 -3.770 8.303) 9.119 5.164 ( 0.000 4.707 -0.807) 4.776 5.283 ( 0.000 -1.571 4.272) 4.551 5.340 ( 0.000 0.756 -2.619) 2.726 5.394 ( 0.000 -0.191 -1.312) 1.326 5.456 ( 0.000 0.159 -11.865) 11.866 5.582 ( 0.000 -1.221 5.241) 5.381 5.661 ( 0.000 2.974 -4.468) 5.368 5.671 ( 0.000 6.266 -12.730) 14.189 5.815 ( 0.000 2.441 -2.287) 3.345 5.878 ( 0.000 1.531 -4.934) 5.166 5.996 ( 0.000 0.239 1.689) 1.706 6.096 ( 0.000 3.372 -1.566) 3.718 6.135 ( 0.000 0.587 1.830) 1.922 6.297 ( 0.000 -2.502 -2.977) 3.889 6.349 ( 0.000 0.865 -1.353) 1.605 6.370 ( 0.000 0.664 2.890) 2.965 6.457 ( 0.000 -2.154 -0.695) 2.263 6.542 ( 0.000 1.813 -3.502) 3.944 6.648 ( 0.000 4.759 2.248) 5.263 6.767 ( 0.000 -4.483 0.708) 4.539 6.868 ( 0.000 -3.132 -7.508) 8.135 6.898 ( 0.000 -1.605 1.630) 2.288 7.127 ( 0.000 0.844 -2.674) 2.804 7.128 ( 0.000 -2.168 -2.174) 3.070 7.245 ( 0.000 1.150 -8.613) 8.689 7.290 ( 0.000 -1.519 1.490) 2.128 7.386 ( 0.000 -1.784 -2.049) 2.717 7.399 ( 0.000 1.620 -10.625) 10.748 7.444 ( 0.000 3.555 -3.458) 4.959 7.520 ( 0.000 -0.775 -9.347) 9.379 7.659 ( 0.000 -3.606 -0.933) 3.724 7.698 ( 0.000 -1.822 -9.738) 9.907 7.724 ( 0.000 -0.885 2.096) 2.276 7.776 ( 0.000 -2.904 -0.856) 3.028 7.893 ( 0.000 3.962 -2.661) 4.773 7.930 ( 0.000 2.694 3.415) 4.350 7.950 ( 0.000 -2.933 -2.005) 3.552 8.061 ( 0.000 1.937 2.420) 3.100 8.084 ( 0.000 -1.579 -4.730) 4.986 8.152 ( 0.000 1.314 -4.124) 4.328 8.167 ( 0.000 7.484 -2.057) 7.762 8.288 ( 0.000 7.494 -2.452) 7.885 8.498 ( 0.000 -1.677 1.399) 2.184 8.551 ( 0.000 -2.421 6.881) 7.294 8.585 ( 0.000 -0.603 4.141) 4.185 8.600 ( 0.000 -2.122 3.965) 4.497 8.902 ( 0.000 10.086 2.849) 10.481 9.028 ( 0.000 2.032 -3.070) 3.681 9.110 ( 0.000 -4.513 -2.309) 5.069 9.155 ( 0.000 -9.764 -0.290) 9.768 9.343 ( 0.000 3.639 2.518) 4.425 9.524 ( 0.000 5.697 -1.410) 5.868 9.795 ( 0.000 -3.185 1.765) 3.642 9.804 ( 0.000 -1.759 2.500) 3.057 10.252 ( 0.000 -1.170 6.594) 6.697 10.372 ( 0.000 -1.744 0.776) 1.909 13.143 ( 0.000 1.889 0.691) 2.012 13.242 ( 0.000 1.043 -2.777) 2.967 13.512 ( 0.000 2.294 0.741) 2.411 13.736 ( 0.000 -2.901 -5.773) 6.461 13.890 ( 0.000 2.456 2.401) 3.435 14.095 ( 0.000 -1.958 -1.556) 2.501 14.284 ( 0.000 4.307 -9.830) 10.732 14.376 ( 0.000 0.867 -14.523) 14.549 15.689 ( 0.000 0.934 9.069) 9.117 15.768 ( 0.000 -0.940 9.408) 9.455 16.105 ( 0.000 2.955 14.598) 14.894 16.469 ( 0.000 -4.033 3.939) 5.638 16.594 ( 0.000 4.501 -0.217) 4.506 16.821 ( 0.000 -1.380 -4.793) 4.988 16.863 ( 0.000 -6.992 2.631) 7.470 16.928 ( 0.000 -3.433 -0.030) 3.433 ======================= Grid point 56 (23/36) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.823 6.681 12.822) 14.482 1.136 ( 6.150 9.785 12.084) 16.721 1.242 ( -3.190 0.620 3.942) 5.109 1.425 ( -5.176 0.279 -1.303) 5.345 1.490 ( -3.034 -1.949 0.152) 3.609 1.505 ( -0.329 -0.537 1.904) 2.005 1.554 ( 0.279 1.414 6.845) 6.995 1.660 ( 2.136 1.279 -1.418) 2.865 1.675 ( 3.592 -0.135 3.699) 5.157 1.724 ( 0.000 -0.738 -1.338) 1.528 1.772 ( 2.404 0.831 0.795) 2.665 1.789 ( 5.746 2.302 4.560) 7.688 1.967 ( -3.229 -4.339 2.698) 6.045 2.075 ( 4.042 3.815 10.235) 11.646 2.099 ( -2.522 -0.182 -0.102) 2.530 2.145 ( -2.170 4.660 0.611) 5.177 2.151 ( -3.034 0.831 2.498) 4.018 2.194 ( -2.808 3.978 3.984) 6.291 2.227 ( 1.356 4.483 4.806) 6.711 2.285 ( -2.535 2.471 5.560) 6.592 2.364 ( -0.571 -0.293 -0.942) 1.140 2.491 ( -1.240 1.742 -3.003) 3.686 2.601 ( 2.349 -0.903 2.960) 3.885 2.646 ( -1.827 2.829 5.326) 6.302 2.753 ( 0.127 -0.153 -0.278) 0.342 2.789 ( 2.218 0.913 1.264) 2.711 2.806 ( 0.812 -2.038 -2.494) 3.322 2.876 ( -0.101 -2.184 3.567) 4.184 2.895 ( -3.169 3.072 6.677) 8.004 2.978 ( 0.840 -2.018 0.512) 2.245 3.093 ( 3.561 2.277 7.661) 8.750 3.118 ( -1.339 -1.914 7.262) 7.629 3.258 ( 5.753 -0.721 0.242) 5.803 3.309 ( -2.944 -0.297 -1.425) 3.284 3.363 ( 0.094 1.407 3.358) 3.642 3.413 ( 0.280 -0.511 -0.573) 0.817 3.437 ( 0.493 -0.307 -1.380) 1.497 3.592 ( -2.611 -4.481 -1.436) 5.382 4.127 ( 1.184 2.227 17.665) 17.844 4.243 ( 0.626 -1.920 4.455) 4.891 4.320 ( 2.216 -3.743 4.896) 6.549 4.386 ( -3.486 -4.899 9.297) 11.072 4.466 ( -1.975 -1.764 10.008) 10.352 4.616 ( -1.681 -2.668 9.146) 9.674 4.701 ( -0.427 2.063 5.568) 5.953 4.837 ( 0.154 -0.133 -2.157) 2.167 4.884 ( -2.839 -4.712 4.442) 7.070 4.998 ( -2.260 -3.304 5.908) 7.137 5.159 ( 0.567 4.004 0.810) 4.124 5.269 ( -1.272 -0.995 2.001) 2.571 5.366 ( 0.614 -0.815 0.733) 1.257 5.374 ( -0.424 0.062 -3.305) 3.332 5.461 ( 0.545 0.748 -11.519) 11.556 5.581 ( -0.812 -0.393 0.196) 0.924 5.658 ( 1.684 1.478 -7.483) 7.811 5.731 ( 3.543 3.356 -8.333) 9.657 5.837 ( 1.946 1.569 -2.062) 3.240 5.906 ( 1.617 0.684 -6.086) 6.334 5.997 ( -0.127 1.858 0.124) 1.867 6.097 ( 1.686 2.281 1.393) 3.160 6.128 ( -1.140 0.668 0.397) 1.379 6.302 ( -0.649 0.300 -1.220) 1.414 6.342 ( 0.585 -0.360 1.499) 1.649 6.421 ( 3.692 0.920 1.234) 4.000 6.451 ( -0.691 -2.212 -0.714) 2.425 6.537 ( 0.012 2.383 -1.630) 2.887 6.639 ( -0.956 -1.043 0.269) 1.440 6.738 ( -2.231 0.435 -0.867) 2.432 6.839 ( -1.683 -3.927 -6.459) 7.744 6.911 ( 1.126 -1.004 -0.936) 1.776 7.081 ( -2.483 -0.173 -4.068) 4.769 7.186 ( 2.327 0.779 -3.792) 4.516 7.234 ( -1.509 0.473 -4.673) 4.933 7.279 ( -3.250 -1.886 -6.108) 7.172 7.322 ( 0.138 -0.131 -1.093) 1.109 7.404 ( -3.072 -0.573 -0.510) 3.166 7.453 ( -2.100 0.598 -5.752) 6.153 7.478 ( 0.584 1.882 -5.828) 6.152 7.583 ( -1.677 1.089 -5.183) 5.555 7.713 ( -0.145 2.026 -2.037) 2.877 7.745 ( 2.128 -3.074 -0.396) 3.760 7.856 ( 3.403 -1.169 -7.219) 8.066 7.886 ( -0.232 2.419 -0.154) 2.435 7.924 ( -0.271 -2.731 -1.350) 3.059 7.995 ( 1.727 0.465 2.909) 3.415 8.046 ( 0.567 -0.727 -0.964) 1.334 8.091 ( 2.104 4.078 2.626) 5.287 8.204 ( 2.361 1.467 -2.662) 3.848 8.231 ( 6.387 -0.676 -2.915) 7.053 8.391 ( 6.684 4.689 -2.093) 8.429 8.472 ( -1.946 -1.154 2.943) 3.712 8.524 ( 0.655 -0.851 4.517) 4.642 8.586 ( -0.318 -0.008 0.334) 0.462 8.607 ( -0.345 -2.423 4.299) 4.947 8.897 ( -0.318 10.390 2.740) 10.750 8.983 ( -4.288 0.036 -3.276) 5.397 9.074 ( -4.699 -4.441 2.241) 6.843 9.135 ( -2.267 -6.721 -1.080) 7.175 9.303 ( -2.049 4.035 -0.905) 4.615 9.459 ( -4.248 4.377 -4.245) 7.431 9.838 ( 3.491 -2.801 2.254) 5.011 9.872 ( 4.499 -1.709 2.222) 5.300 10.244 ( -0.683 -1.365 6.691) 6.862 10.312 ( -4.467 -1.136 3.496) 5.785 13.229 ( 4.937 -1.050 -1.565) 5.285 13.299 ( 4.695 -0.671 -3.219) 5.732 13.597 ( 7.727 3.038 -1.816) 8.499 13.765 ( 2.424 -0.687 -6.287) 6.773 13.898 ( 1.013 2.349 2.009) 3.252 14.097 ( 0.324 -3.016 -2.633) 4.017 14.272 ( -1.315 4.129 -10.277) 11.153 14.355 ( -1.681 0.175 -13.683) 13.787 15.704 ( 1.455 0.898 9.309) 9.465 15.780 ( 0.882 -0.805 9.638) 9.711 16.094 ( -0.501 2.144 14.601) 14.766 16.433 ( -4.391 -5.445 5.990) 9.209 16.592 ( -0.032 4.323 0.078) 4.324 16.728 ( -7.293 -0.851 3.136) 7.984 16.849 ( -0.048 -2.786 -2.870) 4.000 16.914 ( -1.266 -3.273 -0.650) 3.569 ======================= Grid point 57 (24/36) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 6.809 3.504 1.541) 7.811 1.162 ( -3.680 -1.929 -2.181) 4.692 1.286 ( -1.423 3.368 -0.691) 3.721 1.316 ( -0.783 2.138 -1.014) 2.492 1.384 ( 1.082 4.013 3.168) 5.226 1.498 ( -3.716 2.961 3.129) 5.689 1.589 ( 4.160 1.804 4.158) 6.153 1.680 ( -1.823 0.608 -0.343) 1.952 1.720 ( 2.026 -0.669 2.520) 3.302 1.784 ( 0.590 3.803 1.580) 4.161 1.788 ( 1.958 -0.054 1.405) 2.411 1.893 ( 0.819 0.182 3.031) 3.145 1.927 ( -1.710 -0.963 1.133) 2.266 1.939 ( -4.939 -1.030 1.751) 5.340 2.074 ( -0.939 2.780 -1.444) 3.271 2.079 ( -1.712 2.462 -3.192) 4.380 2.143 ( -0.419 5.942 1.096) 6.057 2.152 ( -1.542 3.508 1.573) 4.142 2.261 ( 0.303 -0.517 9.073) 9.093 2.275 ( -0.603 1.535 8.870) 9.022 2.406 ( 4.562 2.314 3.276) 6.075 2.473 ( -1.422 1.549 0.081) 2.105 2.660 ( 3.774 -0.347 9.465) 10.196 2.671 ( 3.412 2.215 -0.085) 4.069 2.768 ( 0.630 0.148 -0.796) 1.026 2.783 ( -2.007 -0.522 -1.563) 2.597 2.799 ( -1.251 -0.959 0.240) 1.595 2.818 ( -2.954 -1.865 2.167) 4.112 2.927 ( 4.362 1.093 13.194) 13.939 3.027 ( -1.313 -1.508 12.813) 12.968 3.075 ( 2.425 -1.425 1.965) 3.431 3.177 ( -3.641 0.132 5.905) 6.938 3.214 ( 1.853 -1.017 3.498) 4.087 3.295 ( -3.605 0.149 5.582) 6.647 3.392 ( 4.336 0.233 -0.931) 4.440 3.432 ( -0.240 -0.721 -2.272) 2.396 3.458 ( 1.335 -0.823 5.207) 5.438 3.516 ( -3.971 -1.754 2.260) 4.894 4.180 ( 3.859 0.745 13.128) 13.704 4.263 ( 1.145 0.252 7.084) 7.181 4.281 ( -4.561 -3.593 5.096) 7.726 4.329 ( -3.119 -1.865 1.977) 4.138 4.462 ( 3.237 1.551 12.305) 12.818 4.550 ( -4.225 -0.499 10.864) 11.667 4.736 ( 3.334 -2.185 4.613) 6.097 4.814 ( -3.762 -4.388 3.409) 6.711 4.866 ( 2.523 -1.023 -0.937) 2.879 4.932 ( -3.527 -2.165 2.599) 4.887 5.196 ( 2.415 1.450 2.417) 3.711 5.237 ( -1.571 0.509 2.491) 2.989 5.352 ( -0.051 -0.444 -3.016) 3.049 5.373 ( -1.275 -1.207 -5.624) 5.891 5.491 ( 2.423 0.431 -7.349) 7.751 5.546 ( -2.460 -0.743 -3.472) 4.320 5.721 ( 3.739 -0.259 -8.039) 8.870 5.774 ( -0.364 0.537 -8.170) 8.196 5.881 ( 2.053 0.334 -3.330) 3.926 5.916 ( -0.876 -0.237 -5.271) 5.348 6.008 ( 2.164 1.456 -1.904) 3.230 6.076 ( -3.483 0.398 -1.453) 3.795 6.179 ( 4.751 3.796 2.875) 6.727 6.263 ( -3.076 3.151 1.598) 4.684 6.369 ( 1.949 -0.688 1.938) 2.834 6.416 ( -2.363 -1.187 0.235) 2.654 6.503 ( 3.803 -0.627 0.301) 3.866 6.571 ( 0.953 -1.665 -0.388) 1.957 6.591 ( -1.084 -0.849 1.640) 2.141 6.670 ( -4.384 -0.162 -0.776) 4.456 6.873 ( 4.952 -1.105 -6.960) 8.612 6.956 ( 2.235 0.460 -9.321) 9.596 7.004 ( -3.098 0.089 -4.584) 5.534 7.108 ( -7.807 -0.463 -9.660) 12.429 7.227 ( 0.480 1.673 -0.390) 1.784 7.241 ( -0.716 3.078 -2.018) 3.749 7.337 ( 0.675 -1.844 -2.706) 3.343 7.356 ( -1.299 -3.017 -1.723) 3.709 7.440 ( 1.591 0.835 -1.472) 2.323 7.475 ( -1.172 0.211 -1.627) 2.016 7.615 ( 3.354 6.790 -2.734) 8.052 7.686 ( -2.840 5.379 0.521) 6.105 7.791 ( 2.651 -3.543 -10.079) 11.007 7.850 ( -2.700 -1.311 -10.062) 10.500 7.893 ( 1.996 1.657 4.114) 4.864 7.948 ( -1.632 -1.127 5.201) 5.566 8.012 ( 2.658 -1.316 0.703) 3.048 8.052 ( -0.464 -1.608 1.184) 2.051 8.175 ( 4.108 1.181 2.339) 4.873 8.230 ( -0.483 0.475 -0.615) 0.915 8.375 ( 5.578 -6.015 1.991) 8.442 8.430 ( -0.635 -2.432 0.929) 2.679 8.463 ( 1.798 3.221 0.266) 3.698 8.543 ( -3.998 -0.872 1.658) 4.416 8.608 ( 4.191 -0.070 -0.822) 4.272 8.668 ( 5.695 1.103 -0.488) 5.821 8.830 ( -4.446 -0.485 1.193) 4.629 8.924 ( -4.193 5.059 0.675) 6.606 8.958 ( -1.689 -0.022 1.434) 2.216 9.030 ( -5.717 2.088 0.966) 6.163 9.318 ( 2.568 1.484 -5.765) 6.483 9.381 ( -3.340 1.935 -6.507) 7.566 9.911 ( 2.943 -2.215 1.810) 4.104 9.936 ( 0.984 -1.873 1.509) 2.599 10.229 ( -0.557 -1.567 6.962) 7.158 10.239 ( -1.954 -1.252 6.446) 6.851 13.315 ( 3.407 -1.940 -1.378) 4.155 13.354 ( 0.100 -2.699 -2.120) 3.434 13.751 ( 5.069 3.014 -4.653) 7.512 13.800 ( -0.009 2.809 -5.557) 6.227 13.960 ( 5.579 1.670 -1.422) 5.994 14.078 ( -3.775 -1.250 -4.921) 6.327 14.258 ( 1.430 0.649 -10.890) 11.002 14.312 ( -2.619 -1.136 -12.438) 12.761 15.746 ( 2.304 0.741 9.847) 10.140 15.784 ( -0.932 0.055 10.026) 10.069 16.123 ( 4.284 -0.657 14.225) 14.871 16.274 ( -9.250 -4.378 12.011) 15.780 16.598 ( 0.713 3.677 0.866) 3.844 16.627 ( -2.420 2.942 2.087) 4.344 16.857 ( 0.832 -2.613 -3.050) 4.102 16.883 ( -1.519 -2.944 -1.965) 3.852 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 8.037 7.791) 11.193 1.236 ( 0.000 8.649 11.568) 14.444 1.304 ( 0.000 -0.991 6.347) 6.424 1.394 ( 0.000 -4.125 6.354) 7.576 1.468 ( 0.000 0.171 -0.216) 0.276 1.490 ( 0.000 -2.047 -0.991) 2.274 1.626 ( 0.000 1.288 5.747) 5.890 1.650 ( 0.000 -0.527 3.138) 3.182 1.693 ( 0.000 -0.291 1.576) 1.603 1.707 ( 0.000 -1.131 -2.110) 2.394 1.737 ( 0.000 5.294 5.873) 7.907 1.770 ( 0.000 2.535 1.218) 2.813 1.898 ( 0.000 -5.302 3.729) 6.482 1.945 ( 0.000 -9.551 7.891) 12.389 2.132 ( 0.000 5.880 4.903) 7.655 2.176 ( 0.000 0.579 -3.415) 3.464 2.308 ( 0.000 9.845 4.518) 10.832 2.317 ( 0.000 5.142 -1.940) 5.496 2.383 ( 0.000 -0.582 -0.340) 0.674 2.403 ( 0.000 3.070 0.533) 3.116 2.407 ( 0.000 5.798 0.716) 5.842 2.506 ( 0.000 -6.179 1.140) 6.283 2.542 ( 0.000 2.114 -1.057) 2.364 2.693 ( 0.000 -7.836 -3.924) 8.764 2.734 ( 0.000 -0.009 -0.276) 0.276 2.742 ( 0.000 0.191 0.045) 0.196 2.781 ( 0.000 3.186 2.300) 3.929 2.842 ( 0.000 -1.977 -0.264) 1.994 2.971 ( 0.000 0.506 11.365) 11.376 2.985 ( 0.000 -1.122 15.635) 15.675 3.109 ( 0.000 1.683 11.442) 11.565 3.123 ( 0.000 0.156 7.476) 7.478 3.242 ( 0.000 7.935 -2.029) 8.191 3.329 ( 0.000 -0.341 0.317) 0.465 3.338 ( 0.000 -0.394 -1.395) 1.450 3.396 ( 0.000 1.237 -6.464) 6.581 3.453 ( 0.000 -8.792 -0.623) 8.814 3.457 ( 0.000 -1.342 -4.147) 4.359 4.158 ( 0.000 -2.589 -1.896) 3.209 4.181 ( 0.000 -0.633 6.536) 6.566 4.192 ( 0.000 -0.834 7.942) 7.985 4.287 ( 0.000 -5.928 13.917) 15.127 4.471 ( 0.000 2.353 18.586) 18.734 4.545 ( 0.000 -4.495 13.743) 14.459 4.784 ( 0.000 2.477 3.351) 4.167 4.838 ( 0.000 -3.138 2.831) 4.226 4.856 ( 0.000 2.205 -0.108) 2.208 4.928 ( 0.000 -4.443 3.148) 5.445 5.263 ( 0.000 4.514 -1.254) 4.685 5.304 ( 0.000 2.978 5.387) 6.155 5.333 ( 0.000 -1.867 -2.308) 2.968 5.365 ( 0.000 -2.526 3.631) 4.423 5.474 ( 0.000 1.836 -7.092) 7.326 5.532 ( 0.000 -3.364 -0.393) 3.386 5.734 ( 0.000 3.254 -7.837) 8.485 5.756 ( 0.000 1.507 -10.184) 10.295 5.865 ( 0.000 2.134 -4.229) 4.737 5.894 ( 0.000 -0.531 -6.218) 6.241 6.036 ( 0.000 4.378 4.395) 6.204 6.124 ( 0.000 -2.618 2.808) 3.839 6.175 ( 0.000 3.488 -1.332) 3.734 6.235 ( 0.000 -2.946 -1.177) 3.173 6.378 ( 0.000 1.807 -0.943) 2.038 6.411 ( 0.000 0.976 -0.349) 1.036 6.423 ( 0.000 0.822 -0.903) 1.221 6.507 ( 0.000 -4.461 -4.481) 6.323 6.703 ( 0.000 1.790 -1.492) 2.330 6.757 ( 0.000 -0.284 -0.764) 0.815 6.790 ( 0.000 -0.254 -0.868) 0.905 6.873 ( 0.000 -3.313 6.173) 7.006 7.078 ( 0.000 0.848 -6.430) 6.486 7.133 ( 0.000 -2.010 -4.732) 5.141 7.233 ( 0.000 0.516 -8.632) 8.648 7.266 ( 0.000 -1.623 -8.153) 8.313 7.396 ( 0.000 0.984 -3.091) 3.244 7.397 ( 0.000 -0.337 -4.367) 4.380 7.508 ( 0.000 2.436 -5.326) 5.857 7.543 ( 0.000 0.347 -7.188) 7.196 7.587 ( 0.000 -1.346 -4.825) 5.009 7.624 ( 0.000 -4.215 -8.488) 9.477 7.749 ( 0.000 0.713 1.313) 1.495 7.750 ( 0.000 1.508 2.825) 3.202 7.923 ( 0.000 -0.203 2.214) 2.223 7.930 ( 0.000 -0.206 2.637) 2.645 7.994 ( 0.000 3.374 -3.267) 4.696 8.049 ( 0.000 -2.051 -4.611) 5.047 8.111 ( 0.000 2.681 0.629) 2.754 8.155 ( 0.000 -1.143 -1.686) 2.036 8.317 ( 0.000 6.274 -0.840) 6.330 8.389 ( 0.000 0.483 -1.505) 1.581 8.491 ( 0.000 0.595 1.031) 1.191 8.530 ( 0.000 -3.282 4.267) 5.384 8.532 ( 0.000 2.059 4.472) 4.923 8.581 ( 0.000 -1.031 0.546) 1.167 8.958 ( 0.000 -3.403 -0.458) 3.434 8.982 ( 0.000 -5.519 0.884) 5.590 9.095 ( 0.000 6.656 0.043) 6.656 9.143 ( 0.000 2.090 -1.946) 2.856 9.443 ( 0.000 5.806 4.034) 7.070 9.552 ( 0.000 -3.295 1.065) 3.463 9.741 ( 0.000 -1.115 1.437) 1.819 9.755 ( 0.000 -2.228 1.878) 2.913 10.253 ( 0.000 1.736 4.579) 4.897 10.314 ( 0.000 -3.581 1.608) 3.926 13.191 ( 0.000 2.542 0.242) 2.554 13.236 ( 0.000 -1.552 -1.103) 1.904 13.578 ( 0.000 3.890 -2.075) 4.409 13.662 ( 0.000 -4.084 -4.181) 5.844 13.957 ( 0.000 3.867 0.730) 3.935 14.036 ( 0.000 -3.625 -0.887) 3.732 14.363 ( 0.000 2.713 -13.698) 13.964 14.388 ( 0.000 0.010 -14.510) 14.510 15.714 ( 0.000 1.415 9.251) 9.359 15.743 ( 0.000 -1.397 9.423) 9.526 16.197 ( 0.000 6.027 14.980) 16.147 16.342 ( 0.000 -7.642 12.347) 14.521 16.705 ( 0.000 6.022 -0.770) 6.071 16.778 ( 0.000 -1.005 -1.203) 1.568 16.787 ( 0.000 -1.736 -3.826) 4.202 16.832 ( 0.000 -5.567 -0.778) 5.621 ======================= Grid point 61 (26/36) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.227 6.968 6.345) 9.961 1.201 ( -4.626 -1.756 3.327) 5.963 1.357 ( 4.061 6.881 5.500) 9.699 1.431 ( -4.732 -0.915 -2.152) 5.278 1.447 ( -1.475 -0.110 0.881) 1.722 1.491 ( 2.992 -2.082 4.103) 5.488 1.605 ( 1.403 3.777 6.937) 8.022 1.663 ( 2.611 -1.122 2.009) 3.480 1.670 ( -0.511 0.432 -1.129) 1.313 1.706 ( 0.790 -1.781 2.420) 3.107 1.776 ( 2.089 1.029 -0.162) 2.334 1.833 ( 2.572 -2.141 5.045) 6.054 1.895 ( 2.732 1.695 4.100) 5.210 2.006 ( 3.365 -6.661 4.219) 8.572 2.151 ( -1.243 2.780 -2.197) 3.755 2.173 ( -1.886 0.442 -3.031) 3.597 2.251 ( -5.190 3.970 2.353) 6.945 2.301 ( -4.544 1.081 0.697) 4.722 2.336 ( 1.635 10.489 6.603) 12.502 2.406 ( 1.604 3.868 -0.027) 4.187 2.427 ( 1.272 4.158 2.709) 5.123 2.483 ( -4.037 2.669 0.603) 4.877 2.557 ( 3.822 -5.125 0.776) 6.440 2.679 ( -1.396 -5.777 -1.276) 6.079 2.718 ( 0.314 -0.079 -1.235) 1.276 2.750 ( 0.098 -1.276 -1.177) 1.738 2.822 ( 1.328 1.076 0.293) 1.734 2.830 ( -1.454 -0.117 -0.048) 1.459 2.954 ( -0.643 1.895 13.397) 13.546 2.977 ( -0.175 0.134 12.052) 12.054 3.085 ( -1.663 -0.104 4.782) 5.064 3.101 ( 0.230 -0.688 11.176) 11.200 3.251 ( 0.579 -0.389 5.746) 5.788 3.283 ( -2.828 -2.424 4.878) 6.138 3.395 ( 2.838 1.675 -0.012) 3.296 3.421 ( 0.624 2.865 -3.312) 4.424 3.431 ( 0.406 -1.085 -2.730) 2.966 3.500 ( 0.911 -3.814 -2.597) 4.703 4.146 ( -0.091 -0.705 3.305) 3.381 4.192 ( 0.139 -5.854 -1.234) 5.985 4.228 ( 2.819 2.111 11.773) 12.289 4.299 ( 1.083 -3.929 13.234) 13.847 4.480 ( 0.864 2.558 17.694) 17.899 4.549 ( 0.045 -3.685 13.319) 13.819 4.739 ( -3.109 1.835 2.952) 4.663 4.791 ( -3.568 -3.570 3.924) 6.393 4.853 ( -0.212 1.946 0.071) 1.959 4.917 ( -1.073 -3.996 3.120) 5.182 5.253 ( -1.209 4.539 -2.880) 5.509 5.278 ( -1.013 1.444 1.719) 2.463 5.341 ( -1.174 -1.564 4.506) 4.912 5.355 ( -0.016 -2.155 -1.872) 2.855 5.490 ( 1.484 2.028 -6.576) 7.040 5.541 ( 0.462 -2.733 -2.014) 3.427 5.719 ( -0.616 3.556 -9.383) 10.053 5.767 ( 0.431 -0.437 -9.594) 9.614 5.869 ( 0.573 1.479 -3.848) 4.162 5.898 ( 0.222 -1.285 -5.999) 6.139 6.052 ( 0.077 3.454 2.082) 4.033 6.114 ( -1.159 -1.776 1.585) 2.648 6.187 ( 2.409 4.935 -0.646) 5.529 6.277 ( 2.812 -3.133 -0.159) 4.213 6.350 ( -1.276 1.703 1.093) 2.392 6.402 ( -1.403 -2.737 -0.195) 3.081 6.450 ( 2.346 1.960 -1.706) 3.500 6.514 ( 0.613 -4.297 -3.447) 5.543 6.633 ( -2.780 3.479 -1.656) 4.751 6.721 ( -3.711 -4.669 -1.340) 6.112 6.854 ( 3.463 4.999 0.846) 6.140 6.917 ( 2.751 0.156 -1.417) 3.099 7.070 ( -1.232 0.548 -5.895) 6.048 7.143 ( -0.265 -4.565 -5.318) 7.014 7.232 ( 0.422 0.898 -6.516) 6.591 7.257 ( -0.375 -1.054 -6.604) 6.698 7.316 ( -2.347 -0.027 -3.718) 4.397 7.345 ( -4.455 -2.910 -0.739) 5.372 7.498 ( -0.747 2.788 -6.262) 6.895 7.528 ( -1.116 0.742 -5.865) 6.016 7.636 ( 5.030 3.610 -4.096) 7.424 7.706 ( 1.629 -1.361 -4.521) 4.994 7.760 ( 1.063 1.458 2.831) 3.357 7.791 ( 4.334 -3.180 -0.871) 5.445 7.892 ( -2.518 0.119 -1.714) 3.048 7.911 ( -1.503 -0.626 1.013) 1.918 8.012 ( 1.766 1.117 0.888) 2.270 8.031 ( -0.200 -0.700 -0.841) 1.113 8.161 ( 2.520 2.305 1.099) 3.587 8.197 ( 2.830 -1.348 -0.144) 3.138 8.295 ( -0.798 5.433 -1.371) 5.660 8.395 ( -1.127 -3.494 -0.260) 3.680 8.483 ( 0.809 1.282 0.578) 1.622 8.522 ( 2.243 -1.602 3.125) 4.167 8.585 ( 2.183 2.009 0.702) 3.049 8.604 ( 1.490 1.080 0.024) 1.841 8.898 ( -5.980 -2.722 0.305) 6.577 8.950 ( -3.152 -6.609 0.330) 7.330 9.092 ( 0.145 6.931 0.068) 6.933 9.142 ( 0.126 2.064 -1.869) 2.787 9.390 ( -3.755 4.678 1.288) 6.135 9.479 ( -5.036 -2.682 -1.360) 5.865 9.795 ( 4.148 -0.449 2.264) 4.747 9.823 ( 4.422 -2.603 2.119) 5.551 10.234 ( -1.574 0.783 5.475) 5.750 10.272 ( -3.343 -2.443 3.531) 5.442 13.232 ( 3.036 1.200 -0.946) 3.399 13.267 ( 2.446 -1.981 -1.368) 3.432 13.666 ( 7.447 3.420 -3.302) 8.835 13.729 ( 5.834 -2.647 -5.098) 8.187 13.961 ( 0.636 3.612 0.320) 3.681 14.034 ( 0.044 -3.345 -1.317) 3.595 14.338 ( -2.456 2.080 -13.035) 13.427 14.358 ( -2.764 -0.135 -13.614) 13.892 15.729 ( 1.369 1.382 9.567) 9.763 15.757 ( 1.220 -1.335 9.747) 9.913 16.166 ( -2.531 4.985 15.171) 16.168 16.294 ( -4.513 -7.201 13.553) 15.997 16.698 ( -0.499 5.691 -1.014) 5.802 16.738 ( -2.390 1.765 -1.513) 3.334 16.789 ( -0.226 -2.897 -3.186) 4.312 16.823 ( -0.881 -5.313 -1.150) 5.507 ======================= Grid point 62 (27/36) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.839 2.593 -0.488) 2.769 1.128 ( -2.481 -1.441 -1.809) 3.391 1.326 ( -3.183 0.872 -1.748) 3.735 1.330 ( -3.391 0.217 -2.497) 4.217 1.481 ( 3.018 3.289 3.222) 5.505 1.523 ( -0.558 -0.701 1.630) 1.860 1.663 ( 2.974 3.297 2.386) 5.041 1.688 ( 0.170 -0.256 1.221) 1.259 1.719 ( 5.183 2.574 3.602) 6.816 1.787 ( 4.410 -1.068 1.788) 4.877 1.829 ( 2.861 0.476 0.358) 2.922 1.876 ( 0.944 -3.256 2.854) 4.431 1.943 ( -1.414 3.073 0.594) 3.434 1.952 ( -6.814 2.015 0.838) 7.155 2.099 ( 0.412 0.356 -1.096) 1.224 2.118 ( -2.214 -0.153 -3.003) 3.734 2.195 ( -1.180 1.680 3.305) 3.891 2.214 ( -3.074 0.377 3.448) 4.635 2.344 ( 0.275 7.366 1.943) 7.623 2.377 ( -3.123 5.478 1.350) 6.449 2.473 ( 2.917 5.258 4.731) 7.651 2.505 ( 1.876 2.684 3.390) 4.713 2.637 ( 3.222 -7.580 -0.619) 8.260 2.650 ( 0.056 -6.588 1.978) 6.879 2.711 ( -1.375 -0.536 -0.899) 1.728 2.739 ( -2.699 -1.961 0.238) 3.345 2.795 ( 0.123 2.064 -0.435) 2.113 2.812 ( -1.109 0.664 -1.449) 1.941 2.977 ( 2.049 1.414 10.529) 10.819 2.999 ( 0.757 -0.985 9.469) 9.551 3.079 ( 2.977 2.752 5.762) 7.045 3.160 ( 2.769 -3.066 9.652) 10.499 3.200 ( -2.950 1.396 10.611) 11.102 3.258 ( -2.292 -3.373 13.543) 14.143 3.407 ( 0.930 1.303 1.493) 2.189 3.430 ( 0.655 -0.393 -0.938) 1.210 3.449 ( -0.430 0.605 0.893) 1.161 3.476 ( -2.505 -1.838 0.879) 3.229 4.157 ( 1.060 -1.616 1.947) 2.743 4.182 ( -1.078 -4.250 -0.120) 4.386 4.286 ( 2.625 2.094 13.291) 13.708 4.318 ( 0.016 -0.555 12.558) 12.571 4.502 ( 1.204 1.936 15.020) 15.192 4.533 ( -1.538 -1.180 12.799) 12.945 4.705 ( 0.208 -0.370 2.522) 2.557 4.731 ( -1.925 -2.937 3.906) 5.253 4.855 ( 0.674 0.349 0.875) 1.159 4.884 ( -1.857 -2.215 2.609) 3.894 5.236 ( 0.109 2.048 -0.954) 2.262 5.256 ( -1.336 0.484 -0.579) 1.534 5.328 ( -0.016 -0.776 1.282) 1.498 5.339 ( -0.967 -1.714 -0.573) 2.050 5.522 ( 1.346 1.769 -7.300) 7.631 5.541 ( -0.469 -0.104 -6.162) 6.181 5.726 ( 1.378 1.031 -10.319) 10.461 5.760 ( -1.246 -1.707 -10.119) 10.337 5.887 ( 0.991 0.294 -4.284) 4.407 5.901 ( -0.178 -1.063 -5.408) 5.514 6.042 ( 0.145 1.833 -0.273) 1.859 6.073 ( -2.326 -0.869 -0.426) 2.519 6.258 ( 2.961 3.246 0.098) 4.395 6.296 ( -0.853 -0.306 -1.590) 1.830 6.355 ( 1.053 -0.313 5.137) 5.253 6.374 ( -0.885 -2.098 2.717) 3.545 6.508 ( 2.628 0.867 -3.673) 4.599 6.526 ( 0.357 -1.325 -3.393) 3.660 6.603 ( -0.037 1.501 -0.461) 1.571 6.647 ( -3.439 -2.213 -0.281) 4.100 6.908 ( 3.299 3.806 -3.654) 6.222 6.977 ( 2.494 -1.840 -4.572) 5.524 7.005 ( -3.990 2.710 -8.079) 9.409 7.072 ( -5.162 -2.969 -7.460) 9.545 7.262 ( 2.246 1.820 -2.384) 3.747 7.289 ( 1.892 -0.513 -1.947) 2.763 7.298 ( -0.714 -0.000 -4.745) 4.799 7.306 ( -0.090 -1.350 -0.937) 1.646 7.484 ( 0.125 2.512 -2.895) 3.835 7.504 ( -1.163 0.962 -1.716) 2.285 7.716 ( 0.978 1.627 -1.753) 2.584 7.723 ( 1.145 -0.603 -1.047) 1.665 7.783 ( 1.887 3.055 -2.554) 4.406 7.832 ( -2.126 0.235 -5.364) 5.775 7.873 ( 1.858 -3.681 0.571) 4.163 7.891 ( -0.340 -2.595 1.475) 3.004 8.026 ( 0.256 1.340 2.365) 2.730 8.040 ( -0.464 0.263 0.957) 1.095 8.201 ( 1.828 1.336 3.938) 4.542 8.227 ( -0.199 -1.014 3.142) 3.307 8.311 ( 2.167 0.304 -1.596) 2.709 8.359 ( -1.996 -3.557 -0.548) 4.116 8.547 ( 3.907 3.425 -1.004) 5.292 8.574 ( 1.201 3.521 1.376) 3.967 8.591 ( 1.485 -1.192 -1.008) 2.154 8.691 ( 6.568 -2.424 -0.981) 7.069 8.735 ( -8.776 -0.432 0.266) 8.790 8.841 ( -6.954 -6.404 -0.493) 9.466 9.113 ( 1.695 6.827 -0.371) 7.044 9.142 ( -0.636 4.576 -1.243) 4.784 9.341 ( -0.157 1.083 -2.700) 2.914 9.384 ( -3.768 -1.932 -3.593) 5.554 9.874 ( 2.800 -0.752 1.645) 3.333 9.890 ( 1.437 -2.068 1.388) 2.875 10.203 ( -0.967 -0.587 7.064) 7.154 10.211 ( -1.930 -1.184 6.627) 7.003 13.288 ( 2.018 -0.351 -1.324) 2.439 13.304 ( 0.625 -1.822 -1.429) 2.398 13.812 ( 4.776 2.436 -4.800) 7.196 13.836 ( 2.495 0.294 -5.576) 6.116 14.003 ( 3.713 2.337 -2.466) 5.033 14.047 ( 0.616 -1.807 -3.534) 4.017 14.271 ( -2.732 0.616 -11.068) 11.417 14.287 ( -3.483 -1.065 -11.521) 12.083 15.765 ( 1.746 0.991 10.222) 10.417 15.781 ( 0.482 -0.491 10.320) 10.343 16.126 ( -0.219 1.300 15.308) 15.364 16.182 ( -5.140 -4.005 14.981) 16.337 16.691 ( -0.021 4.981 -1.313) 5.152 16.702 ( -1.078 4.138 -1.340) 4.481 16.787 ( 0.258 -3.978 -2.714) 4.822 16.801 ( -0.998 -4.735 -1.972) 5.226 ======================= Grid point 75 (28/36) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 0.000 15.638) 15.638 1.319 ( 0.000 0.000 12.403) 12.403 1.432 ( 0.000 0.000 5.917) 5.917 1.450 ( 0.000 0.000 -3.179) 3.179 1.500 ( 0.000 0.000 -8.849) 8.849 1.561 ( 0.000 0.000 6.488) 6.488 1.567 ( 0.000 0.000 -5.455) 5.455 1.666 ( 0.000 0.000 -3.917) 3.917 1.681 ( 0.000 0.000 3.512) 3.512 1.707 ( 0.000 0.000 -0.680) 0.680 1.718 ( 0.000 0.000 11.462) 11.462 1.846 ( 0.000 0.000 7.326) 7.326 1.940 ( 0.000 0.000 -9.603) 9.603 2.004 ( 0.000 0.000 -8.723) 8.723 2.105 ( 0.000 0.000 2.153) 2.153 2.185 ( 0.000 0.000 -5.471) 5.471 2.263 ( 0.000 0.000 3.141) 3.141 2.270 ( 0.000 0.000 4.219) 4.219 2.283 ( 0.000 0.000 0.847) 0.847 2.349 ( 0.000 0.000 -3.206) 3.206 2.374 ( 0.000 0.000 15.004) 15.004 2.498 ( 0.000 0.000 1.433) 1.433 2.636 ( 0.000 0.000 2.476) 2.476 2.663 ( 0.000 0.000 0.731) 0.731 2.694 ( 0.000 0.000 -1.404) 1.404 2.728 ( 0.000 0.000 -6.165) 6.165 2.838 ( 0.000 0.000 0.620) 0.620 2.872 ( 0.000 0.000 -2.981) 2.981 2.933 ( 0.000 0.000 -0.168) 0.168 2.954 ( 0.000 0.000 -2.507) 2.507 3.096 ( 0.000 0.000 11.079) 11.079 3.216 ( 0.000 0.000 -3.442) 3.442 3.298 ( 0.000 0.000 4.349) 4.349 3.308 ( 0.000 0.000 0.254) 0.254 3.319 ( 0.000 0.000 0.969) 0.969 3.406 ( 0.000 0.000 -6.012) 6.012 3.502 ( 0.000 0.000 8.715) 8.715 3.607 ( 0.000 0.000 -3.264) 3.264 4.342 ( 0.000 0.000 4.571) 4.571 4.415 ( 0.000 0.000 2.802) 2.802 4.549 ( 0.000 0.000 10.515) 10.515 4.562 ( 0.000 0.000 9.314) 9.314 4.645 ( 0.000 0.000 5.296) 5.296 4.687 ( 0.000 0.000 -2.165) 2.165 4.884 ( 0.000 0.000 9.007) 9.007 4.903 ( 0.000 0.000 2.957) 2.957 4.947 ( 0.000 0.000 -2.251) 2.251 5.094 ( 0.000 0.000 -14.498) 14.498 5.205 ( 0.000 0.000 0.728) 0.728 5.219 ( 0.000 0.000 -2.034) 2.034 5.229 ( 0.000 0.000 -4.978) 4.978 5.265 ( 0.000 0.000 -5.932) 5.932 5.477 ( 0.000 0.000 8.658) 8.658 5.493 ( 0.000 0.000 12.722) 12.722 5.627 ( 0.000 0.000 3.664) 3.664 5.674 ( 0.000 0.000 -3.358) 3.358 5.716 ( 0.000 0.000 -10.992) 10.992 5.733 ( 0.000 0.000 -4.450) 4.450 6.035 ( 0.000 0.000 6.343) 6.343 6.126 ( 0.000 0.000 5.449) 5.449 6.132 ( 0.000 0.000 -1.861) 1.861 6.237 ( 0.000 0.000 -5.366) 5.366 6.356 ( 0.000 0.000 3.118) 3.118 6.423 ( 0.000 0.000 -1.831) 1.831 6.491 ( 0.000 0.000 -1.037) 1.037 6.497 ( 0.000 0.000 -1.304) 1.304 6.592 ( 0.000 0.000 6.808) 6.808 6.760 ( 0.000 0.000 -8.114) 8.114 6.816 ( 0.000 0.000 0.434) 0.434 6.942 ( 0.000 0.000 -11.831) 11.831 7.030 ( 0.000 0.000 5.205) 5.205 7.069 ( 0.000 0.000 -1.754) 1.754 7.141 ( 0.000 0.000 2.234) 2.234 7.200 ( 0.000 0.000 -3.842) 3.842 7.262 ( 0.000 0.000 -10.361) 10.361 7.264 ( 0.000 0.000 -8.592) 8.592 7.449 ( 0.000 0.000 4.301) 4.301 7.536 ( 0.000 0.000 8.490) 8.490 7.544 ( 0.000 0.000 -6.706) 6.706 7.677 ( 0.000 0.000 -6.194) 6.194 7.757 ( 0.000 0.000 2.084) 2.084 7.788 ( 0.000 0.000 -0.937) 0.937 7.913 ( 0.000 0.000 5.091) 5.091 7.951 ( 0.000 0.000 3.341) 3.341 7.996 ( 0.000 0.000 -1.365) 1.365 7.999 ( 0.000 0.000 -4.579) 4.579 8.036 ( 0.000 0.000 -0.009) 0.009 8.080 ( 0.000 0.000 1.068) 1.068 8.085 ( 0.000 0.000 -4.437) 4.437 8.094 ( 0.000 0.000 -0.776) 0.776 8.562 ( 0.000 0.000 1.837) 1.837 8.588 ( 0.000 0.000 -0.824) 0.824 8.757 ( 0.000 0.000 7.964) 7.964 8.782 ( 0.000 0.000 5.672) 5.672 8.808 ( 0.000 0.000 1.766) 1.766 8.904 ( 0.000 0.000 -6.960) 6.960 9.109 ( 0.000 0.000 -0.082) 0.082 9.196 ( 0.000 0.000 -7.739) 7.739 9.361 ( 0.000 0.000 4.152) 4.152 9.416 ( 0.000 0.000 -0.658) 0.658 9.857 ( 0.000 0.000 0.828) 0.828 9.858 ( 0.000 0.000 0.876) 0.876 10.368 ( 0.000 0.000 3.380) 3.380 10.402 ( 0.000 0.000 -0.351) 0.351 13.143 ( 0.000 0.000 1.443) 1.443 13.177 ( 0.000 0.000 -2.081) 2.081 13.546 ( 0.000 0.000 3.999) 3.999 13.644 ( 0.000 0.000 -6.054) 6.054 13.955 ( 0.000 0.000 6.597) 6.597 14.102 ( 0.000 0.000 0.445) 0.445 14.120 ( 0.000 0.000 -10.742) 10.742 14.138 ( 0.000 0.000 -3.344) 3.344 15.833 ( 0.000 0.000 6.231) 6.231 15.887 ( 0.000 0.000 1.315) 1.315 16.308 ( 0.000 0.000 9.896) 9.896 16.453 ( 0.000 0.000 -5.364) 5.364 16.605 ( 0.000 0.000 5.465) 5.465 16.724 ( 0.000 0.000 -6.421) 6.421 16.969 ( 0.000 0.000 0.198) 0.198 16.970 ( 0.000 0.000 0.149) 0.149 ======================= Grid point 76 (29/36) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -8.847 0.000 12.076) 14.970 1.299 ( 3.362 0.000 12.610) 13.051 1.324 ( -7.306 0.000 5.367) 9.066 1.352 ( -7.813 0.000 -4.933) 9.240 1.443 ( -8.179 0.000 -5.721) 9.981 1.516 ( 2.200 0.000 -8.243) 8.531 1.585 ( 0.202 0.000 4.214) 4.219 1.660 ( -1.000 0.000 -3.708) 3.840 1.733 ( 1.635 0.000 10.830) 10.953 1.757 ( 2.774 0.000 2.141) 3.504 1.780 ( 5.199 0.000 0.808) 5.261 1.878 ( 2.739 0.000 5.566) 6.204 1.932 ( -0.176 0.000 -7.862) 7.864 1.990 ( -1.532 0.000 -6.352) 6.534 2.105 ( -0.558 0.000 2.785) 2.840 2.155 ( -6.903 0.000 1.849) 7.146 2.163 ( -4.349 0.000 -1.232) 4.521 2.182 ( -5.356 0.000 -1.965) 5.705 2.320 ( 2.297 0.000 2.253) 3.217 2.378 ( 1.069 0.000 -1.871) 2.155 2.420 ( 3.001 0.000 11.181) 11.576 2.490 ( 0.724 0.000 3.910) 3.977 2.583 ( -0.380 0.000 2.311) 2.342 2.666 ( -0.326 0.000 -5.184) 5.194 2.752 ( 2.552 0.000 -0.272) 2.567 2.756 ( 2.001 0.000 -0.070) 2.002 2.844 ( -1.235 0.000 1.347) 1.828 2.892 ( -1.042 0.000 -3.181) 3.348 2.976 ( 4.562 0.000 -1.363) 4.761 3.003 ( 6.292 0.000 -3.393) 7.148 3.132 ( 3.987 0.000 14.311) 14.856 3.251 ( 2.644 0.000 -0.544) 2.699 3.289 ( -0.095 0.000 0.874) 0.879 3.299 ( -0.908 0.000 0.398) 0.991 3.335 ( 1.408 0.000 3.881) 4.129 3.446 ( 2.046 0.000 -3.045) 3.668 3.541 ( 3.395 0.000 5.906) 6.812 3.608 ( 0.118 0.000 -1.330) 1.335 4.330 ( -1.251 0.000 2.394) 2.701 4.378 ( -3.678 0.000 -0.416) 3.702 4.508 ( -2.449 0.000 8.419) 8.768 4.518 ( -2.715 0.000 11.442) 11.760 4.699 ( 3.146 0.000 9.119) 9.646 4.723 ( 2.517 0.000 -1.412) 2.886 4.855 ( -2.136 0.000 7.611) 7.905 4.859 ( -3.294 0.000 6.417) 7.213 4.947 ( -0.912 0.000 -1.258) 1.554 5.026 ( -5.335 0.000 -5.044) 7.342 5.150 ( -2.145 0.000 -12.954) 13.130 5.188 ( -0.625 0.000 -8.111) 8.135 5.197 ( -4.372 0.000 -0.443) 4.394 5.281 ( -0.233 0.000 -6.044) 6.049 5.525 ( 3.823 0.000 12.961) 13.513 5.539 ( 3.692 0.000 7.355) 8.230 5.636 ( 0.949 0.000 2.611) 2.778 5.682 ( 1.934 0.000 -2.655) 3.284 5.754 ( 2.576 0.000 -9.015) 9.376 5.774 ( 2.584 0.000 -4.972) 5.604 5.997 ( -3.305 0.000 5.313) 6.257 6.096 ( -3.216 0.000 -2.589) 4.129 6.164 ( 2.920 0.000 5.218) 5.979 6.258 ( 1.262 0.000 -3.471) 3.693 6.358 ( 0.317 0.000 2.583) 2.603 6.424 ( -0.275 0.000 -3.018) 3.030 6.504 ( 1.218 0.000 -0.227) 1.238 6.529 ( 3.620 0.000 -2.950) 4.670 6.598 ( 0.906 0.000 8.909) 8.955 6.754 ( -1.078 0.000 -4.774) 4.894 6.778 ( -3.203 0.000 -1.195) 3.418 6.881 ( -4.406 0.000 -11.810) 12.605 6.936 ( -5.066 0.000 1.855) 5.395 7.022 ( -4.944 0.000 -7.979) 9.387 7.183 ( 1.091 0.000 0.772) 1.337 7.252 ( 3.468 0.000 2.627) 4.351 7.299 ( 6.019 0.000 -7.110) 9.316 7.363 ( 5.506 0.000 -3.973) 6.789 7.419 ( -1.945 0.000 1.410) 2.403 7.449 ( -5.413 0.000 6.180) 8.216 7.473 ( -5.727 0.000 -5.266) 7.781 7.568 ( -4.210 0.000 -7.239) 8.374 7.755 ( -4.853 0.000 0.207) 4.857 7.773 ( -2.492 0.000 -1.564) 2.943 7.928 ( 1.964 0.000 4.811) 5.197 8.003 ( 2.666 0.000 -1.589) 3.104 8.003 ( 4.746 0.000 3.566) 5.936 8.052 ( 3.844 0.000 -0.214) 3.850 8.095 ( 3.361 0.000 1.135) 3.547 8.126 ( 4.277 0.000 -2.625) 5.018 8.231 ( 10.445 0.000 -1.144) 10.507 8.233 ( 11.703 0.000 -2.155) 11.900 8.548 ( -0.866 0.000 1.901) 2.089 8.575 ( -0.854 0.000 -0.709) 1.110 8.697 ( -4.504 0.000 7.857) 9.057 8.762 ( -4.092 0.000 1.064) 4.228 8.778 ( -0.386 0.000 3.670) 3.690 8.869 ( -3.014 0.000 -6.117) 6.819 9.143 ( 2.313 0.000 -0.528) 2.372 9.201 ( -0.587 0.000 -5.137) 5.171 9.269 ( -7.015 0.000 1.536) 7.181 9.294 ( -9.866 0.000 0.312) 9.871 9.902 ( 3.416 0.000 1.285) 3.649 9.914 ( 3.899 0.000 0.207) 3.904 10.356 ( -0.999 0.000 2.856) 3.026 10.374 ( -2.193 0.000 0.936) 2.384 13.231 ( 6.814 0.000 -1.143) 6.909 13.232 ( 4.614 0.000 -0.930) 4.707 13.581 ( 3.060 0.000 2.568) 3.995 13.657 ( 1.089 0.000 -5.193) 5.306 13.954 ( 0.092 0.000 5.916) 5.917 14.088 ( -2.534 0.000 -6.457) 6.936 14.103 ( 0.158 0.000 -0.661) 0.679 14.143 ( -0.045 0.000 -6.516) 6.516 15.850 ( 1.566 0.000 6.159) 6.355 15.900 ( 1.113 0.000 1.547) 1.906 16.300 ( -0.475 0.000 9.323) 9.335 16.435 ( -1.833 0.000 -4.955) 5.284 16.612 ( 0.696 0.000 5.355) 5.400 16.722 ( -0.468 0.000 -5.179) 5.201 16.904 ( -5.140 0.000 2.174) 5.581 16.935 ( -2.962 0.000 -1.079) 3.152 ======================= Grid point 77 (30/36) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.976 0.000 5.275) 5.365 1.151 ( -8.178 0.000 -3.423) 8.866 1.218 ( -1.770 0.000 0.488) 1.836 1.264 ( -5.727 0.000 -3.868) 6.911 1.445 ( 6.216 0.000 8.217) 10.303 1.552 ( -3.427 0.000 4.364) 5.549 1.570 ( 2.670 0.000 -4.131) 4.918 1.625 ( -2.369 0.000 -3.071) 3.879 1.793 ( 3.574 0.000 5.393) 6.470 1.799 ( 1.388 0.000 2.887) 3.204 1.838 ( 1.697 0.000 1.919) 2.562 1.935 ( -1.740 0.000 -1.748) 2.466 1.939 ( 2.444 0.000 0.644) 2.527 1.945 ( -1.685 0.000 -4.317) 4.634 2.002 ( -5.589 0.000 -0.016) 5.589 2.007 ( -5.113 0.000 -0.648) 5.154 2.113 ( 0.318 0.000 1.824) 1.851 2.134 ( -1.592 0.000 0.042) 1.593 2.356 ( 1.005 0.000 0.968) 1.395 2.371 ( -0.761 0.000 -0.219) 0.792 2.489 ( 2.722 0.000 8.192) 8.632 2.512 ( 0.465 0.000 5.900) 5.918 2.629 ( 3.261 0.000 -0.898) 3.382 2.667 ( -0.137 0.000 -5.216) 5.218 2.770 ( 0.125 0.000 0.169) 0.210 2.791 ( -0.503 0.000 -0.475) 0.692 2.799 ( -0.289 0.000 0.756) 0.809 2.842 ( -2.790 0.000 -2.558) 3.785 3.101 ( 6.291 0.000 -1.488) 6.465 3.131 ( 4.293 0.000 -3.143) 5.321 3.263 ( 5.137 0.000 10.494) 11.684 3.269 ( -1.024 0.000 6.950) 7.025 3.270 ( -2.186 0.000 0.458) 2.234 3.298 ( 1.410 0.000 7.770) 7.897 3.365 ( 2.294 0.000 0.366) 2.323 3.446 ( -2.793 0.000 -0.054) 2.793 3.608 ( 2.192 0.000 3.616) 4.228 3.618 ( 0.712 0.000 2.837) 2.925 4.292 ( -1.885 0.000 -0.792) 2.045 4.294 ( -2.810 0.000 -1.428) 3.152 4.472 ( -0.851 0.000 8.619) 8.661 4.476 ( -1.233 0.000 11.271) 11.338 4.733 ( 0.940 0.000 13.893) 13.924 4.771 ( -0.174 0.000 4.318) 4.322 4.793 ( -0.187 0.000 3.423) 3.428 4.836 ( -0.677 0.000 -2.518) 2.607 4.922 ( -0.979 0.000 1.962) 2.193 4.928 ( -2.864 0.000 3.396) 4.443 5.114 ( -1.085 0.000 -14.830) 14.870 5.121 ( -2.009 0.000 -9.587) 9.795 5.210 ( 1.856 0.000 -6.313) 6.580 5.251 ( -1.946 0.000 -6.852) 7.123 5.593 ( 1.617 0.000 7.589) 7.759 5.600 ( 1.557 0.000 11.050) 11.159 5.683 ( 4.080 0.000 2.391) 4.729 5.735 ( 1.243 0.000 0.489) 1.335 5.793 ( 0.971 0.000 -7.219) 7.284 5.806 ( -0.220 0.000 -4.623) 4.628 5.939 ( -0.338 0.000 -0.906) 0.967 6.004 ( -5.012 0.000 -4.487) 6.727 6.228 ( 2.728 0.000 4.225) 5.029 6.265 ( -0.752 0.000 0.651) 0.995 6.372 ( 1.039 0.000 0.762) 1.289 6.401 ( -1.619 0.000 -1.742) 2.378 6.562 ( 4.065 0.000 1.659) 4.391 6.606 ( 2.194 0.000 -0.115) 2.197 6.644 ( 1.714 0.000 5.806) 6.053 6.697 ( -3.844 0.000 0.493) 3.876 6.735 ( 2.194 0.000 -5.898) 6.293 6.822 ( -0.900 0.000 -9.700) 9.742 6.848 ( -2.959 0.000 -3.614) 4.671 6.879 ( -8.041 0.000 -8.765) 11.894 7.232 ( 3.025 0.000 3.861) 4.905 7.278 ( -0.340 0.000 2.485) 2.508 7.362 ( -2.122 0.000 1.958) 2.888 7.375 ( -2.696 0.000 -1.311) 2.998 7.384 ( 0.631 0.000 -3.904) 3.955 7.413 ( -1.355 0.000 -2.501) 2.844 7.478 ( 7.785 0.000 -0.019) 7.785 7.573 ( 4.375 0.000 -9.252) 10.234 7.633 ( -6.752 0.000 -0.390) 6.763 7.681 ( -5.276 0.000 -5.429) 7.570 7.969 ( 1.839 0.000 3.678) 4.111 8.000 ( -1.064 0.000 0.548) 1.196 8.123 ( 4.453 0.000 4.777) 6.531 8.154 ( 2.064 0.000 3.025) 3.662 8.172 ( 3.556 0.000 0.455) 3.585 8.190 ( 2.056 0.000 -2.106) 2.944 8.422 ( 5.154 0.000 0.086) 5.155 8.437 ( 4.398 0.000 -1.217) 4.563 8.554 ( 1.975 0.000 1.438) 2.443 8.588 ( 1.954 0.000 -1.477) 2.449 8.648 ( 2.208 0.000 3.552) 4.182 8.672 ( -2.186 0.000 2.415) 3.257 8.763 ( -1.384 0.000 0.407) 1.443 8.790 ( -4.485 0.000 -3.438) 5.651 9.067 ( -7.913 0.000 1.634) 8.080 9.069 ( -7.371 0.000 1.146) 7.460 9.199 ( 1.375 0.000 -2.352) 2.724 9.220 ( -0.557 0.000 -4.353) 4.389 9.964 ( 2.041 0.000 1.073) 2.306 9.974 ( 1.313 0.000 0.201) 1.328 10.336 ( -0.667 0.000 2.322) 2.416 10.337 ( -0.960 0.000 2.192) 2.393 13.328 ( 3.554 0.000 -0.080) 3.555 13.343 ( 2.601 0.000 -1.686) 3.100 13.650 ( 2.791 0.000 -1.014) 2.969 13.675 ( 0.251 0.000 -3.395) 3.405 13.970 ( 1.678 0.000 3.134) 3.555 14.025 ( -3.279 0.000 -2.033) 3.858 14.113 ( 0.798 0.000 -3.824) 3.906 14.132 ( -0.898 0.000 -6.549) 6.611 15.890 ( 1.986 0.000 5.395) 5.749 15.916 ( -0.121 0.000 3.134) 3.136 16.310 ( 1.925 0.000 5.529) 5.854 16.375 ( -3.661 0.000 -1.454) 3.939 16.636 ( 1.721 0.000 5.057) 5.342 16.687 ( -2.836 0.000 2.026) 3.485 16.834 ( -0.433 0.000 -1.021) 1.109 16.868 ( -2.983 0.000 -2.880) 4.146 ======================= Grid point 80 (31/36) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 2.135 12.435) 12.617 1.350 ( 0.000 2.620 9.863) 10.205 1.436 ( 0.000 0.246 7.454) 7.458 1.452 ( 0.000 0.092 -2.532) 2.533 1.466 ( 0.000 -2.166 -7.621) 7.923 1.544 ( 0.000 -1.030 4.899) 5.006 1.579 ( 0.000 0.900 -4.610) 4.697 1.654 ( 0.000 -1.098 -4.513) 4.644 1.726 ( 0.000 3.496 2.526) 4.313 1.730 ( 0.000 2.258 1.208) 2.561 1.742 ( 0.000 1.674 8.909) 9.065 1.814 ( 0.000 -2.093 4.137) 4.636 1.990 ( 0.000 3.212 -4.757) 5.740 2.018 ( 0.000 1.100 -6.848) 6.935 2.143 ( 0.000 -3.514 1.895) 3.993 2.161 ( 0.000 4.220 -0.904) 4.316 2.249 ( 0.000 -3.122 1.553) 3.486 2.262 ( 0.000 2.581 -1.757) 3.123 2.378 ( 0.000 5.912 2.202) 6.309 2.381 ( 0.000 0.851 1.775) 1.968 2.399 ( 0.000 2.797 11.962) 12.285 2.490 ( 0.000 1.472 -2.532) 2.929 2.534 ( 0.000 -5.382 2.049) 5.759 2.671 ( 0.000 -1.583 -6.953) 7.131 2.716 ( 0.000 2.594 -0.442) 2.631 2.725 ( 0.000 -0.481 -1.616) 1.687 2.808 ( 0.000 -2.996 2.174) 3.701 2.855 ( 0.000 -3.031 -2.731) 4.080 3.012 ( 0.000 6.612 -0.010) 6.612 3.019 ( 0.000 7.890 -0.421) 7.902 3.135 ( 0.000 3.552 11.066) 11.622 3.249 ( 0.000 2.745 -1.809) 3.287 3.262 ( 0.000 -1.951 0.179) 1.959 3.279 ( 0.000 -1.218 1.931) 2.283 3.379 ( 0.000 2.592 1.037) 2.792 3.404 ( 0.000 -0.841 -1.402) 1.635 3.477 ( 0.000 -2.248 7.412) 7.745 3.572 ( 0.000 -3.334 -2.718) 4.301 4.268 ( 0.000 -6.832 2.493) 7.273 4.327 ( 0.000 -9.232 -2.639) 9.602 4.465 ( 0.000 -0.628 14.935) 14.948 4.604 ( 0.000 -3.266 6.998) 7.723 4.670 ( 0.000 -1.230 -2.993) 3.236 4.672 ( 0.000 3.245 5.709) 6.566 4.869 ( 0.000 -1.052 5.916) 6.008 4.896 ( 0.000 1.192 8.878) 8.957 4.950 ( 0.000 0.002 0.056) 0.056 5.098 ( 0.000 -1.531 -0.270) 1.555 5.166 ( 0.000 0.545 -13.140) 13.151 5.222 ( 0.000 -1.747 4.012) 4.376 5.252 ( 0.000 -0.881 -8.485) 8.530 5.277 ( 0.000 2.397 -4.573) 5.163 5.489 ( 0.000 1.224 12.395) 12.456 5.547 ( 0.000 5.047 2.526) 5.643 5.621 ( 0.000 -0.003 0.550) 0.550 5.683 ( 0.000 -0.702 -3.761) 3.827 5.737 ( 0.000 2.580 -5.397) 5.982 5.761 ( 0.000 2.055 -3.736) 4.264 6.039 ( 0.000 0.779 4.382) 4.451 6.124 ( 0.000 0.067 4.632) 4.633 6.142 ( 0.000 0.667 -2.490) 2.578 6.219 ( 0.000 -1.677 -5.018) 5.291 6.360 ( 0.000 0.441 2.064) 2.110 6.401 ( 0.000 -1.762 -0.981) 2.017 6.439 ( 0.000 -2.316 -0.311) 2.337 6.467 ( 0.000 -2.332 -3.385) 4.111 6.701 ( 0.000 6.046 3.471) 6.972 6.750 ( 0.000 0.867 -1.342) 1.598 6.815 ( 0.000 -1.593 0.861) 1.810 6.892 ( 0.000 -4.016 -4.292) 5.878 6.997 ( 0.000 -1.068 -3.581) 3.737 7.058 ( 0.000 -1.068 -6.620) 6.706 7.140 ( 0.000 0.093 0.846) 0.851 7.217 ( 0.000 -2.237 -6.575) 6.946 7.286 ( 0.000 2.304 -4.002) 4.618 7.286 ( 0.000 3.321 -3.342) 4.712 7.470 ( 0.000 0.171 3.097) 3.102 7.488 ( 0.000 -3.337 4.098) 5.285 7.550 ( 0.000 0.189 -4.003) 4.007 7.600 ( 0.000 -5.044 -4.650) 6.860 7.771 ( 0.000 0.515 0.989) 1.115 7.774 ( 0.000 -1.493 -0.060) 1.495 7.875 ( 0.000 0.592 2.055) 2.139 7.928 ( 0.000 -0.958 -1.519) 1.796 7.972 ( 0.000 1.328 0.773) 1.536 7.996 ( 0.000 -0.190 -3.267) 3.273 8.094 ( 0.000 1.288 1.037) 1.654 8.110 ( 0.000 1.460 -1.023) 1.783 8.170 ( 0.000 8.619 2.313) 8.924 8.231 ( 0.000 8.242 -3.410) 8.919 8.530 ( 0.000 -2.254 1.856) 2.920 8.565 ( 0.000 -1.705 -1.704) 2.410 8.690 ( 0.000 -3.006 6.966) 7.587 8.745 ( 0.000 -3.407 4.180) 5.392 8.945 ( 0.000 8.307 0.970) 8.363 8.948 ( 0.000 1.456 -2.835) 3.187 9.059 ( 0.000 -1.128 -1.840) 2.159 9.085 ( 0.000 -7.539 -4.781) 8.928 9.427 ( 0.000 4.884 4.827) 6.867 9.499 ( 0.000 5.076 -2.307) 5.576 9.824 ( 0.000 -3.005 1.024) 3.175 9.830 ( 0.000 -2.552 0.402) 2.584 10.345 ( 0.000 -1.830 3.202) 3.688 10.379 ( 0.000 -2.068 -0.468) 2.120 13.162 ( 0.000 1.695 1.380) 2.186 13.196 ( 0.000 1.423 -2.080) 2.520 13.547 ( 0.000 0.149 2.985) 2.989 13.627 ( 0.000 -1.535 -5.213) 5.435 13.965 ( 0.000 0.986 5.576) 5.663 14.070 ( 0.000 -1.878 -2.320) 2.985 14.153 ( 0.000 1.808 -7.040) 7.269 14.154 ( 0.000 1.358 -4.144) 4.361 15.842 ( 0.000 0.800 5.972) 6.026 15.886 ( 0.000 -0.138 2.003) 2.008 16.339 ( 0.000 2.897 9.607) 10.034 16.469 ( 0.000 1.150 -3.789) 3.960 16.621 ( 0.000 1.767 3.648) 4.053 16.717 ( 0.000 -0.562 -5.723) 5.750 16.904 ( 0.000 -5.776 1.555) 5.981 16.923 ( 0.000 -4.288 -0.540) 4.322 ======================= Grid point 81 (32/36) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -6.930 1.288 10.544) 12.683 1.279 ( -6.267 -0.719 3.798) 7.363 1.356 ( -6.726 0.137 -3.950) 7.801 1.372 ( -4.565 1.254 1.952) 5.121 1.442 ( -1.937 2.236 1.124) 3.165 1.562 ( 0.045 -0.744 0.183) 0.768 1.592 ( 2.267 4.835 -2.161) 5.761 1.663 ( 0.938 0.443 -1.422) 1.760 1.702 ( 3.256 -2.392 1.049) 4.174 1.750 ( 0.806 0.978 8.427) 8.522 1.821 ( 1.555 -0.311 2.118) 2.646 1.876 ( 5.195 2.141 2.893) 6.320 1.981 ( -0.423 2.996 -2.469) 3.905 2.011 ( -2.088 1.681 -5.355) 5.988 2.092 ( -5.181 -3.189 0.735) 6.128 2.142 ( -4.205 -0.898 -1.340) 4.504 2.170 ( -1.399 1.955 -0.890) 2.563 2.228 ( -4.504 4.620 -1.111) 6.547 2.368 ( -0.811 2.868 2.256) 3.738 2.406 ( 0.676 -1.016 3.324) 3.541 2.438 ( 3.067 2.175 0.309) 3.772 2.458 ( 2.431 2.962 10.255) 10.948 2.604 ( 2.640 -0.002 -1.849) 3.223 2.690 ( 2.266 -2.352 -0.749) 3.351 2.695 ( 0.341 1.081 -2.992) 3.200 2.773 ( 0.362 -0.879 -0.779) 1.229 2.805 ( -0.560 -2.224 1.129) 2.556 2.847 ( -0.872 -3.723 -2.763) 4.717 2.962 ( -0.246 1.893 -0.203) 1.919 3.110 ( 4.377 6.495 -2.525) 8.229 3.174 ( 3.875 3.451 13.580) 14.538 3.221 ( -0.404 -1.916 0.687) 2.075 3.287 ( 2.499 2.861 0.203) 3.804 3.326 ( 2.245 0.112 2.869) 3.645 3.382 ( 0.368 3.211 1.686) 3.645 3.448 ( 2.288 0.049 0.035) 2.289 3.509 ( 3.290 -3.132 5.049) 6.792 3.569 ( -0.128 -3.512 -1.182) 3.708 4.254 ( -0.974 -6.153 0.218) 6.234 4.325 ( -1.423 -6.927 -1.276) 7.186 4.465 ( 0.346 -0.295 12.795) 12.803 4.560 ( -2.622 0.882 8.872) 9.293 4.662 ( 1.056 -1.269 -2.431) 2.939 4.724 ( 1.801 -1.626 5.745) 6.236 4.845 ( -2.203 0.161 10.403) 10.635 4.862 ( -2.249 0.940 4.934) 5.504 4.944 ( -1.326 -0.034 1.932) 2.344 5.049 ( -4.022 0.229 -0.082) 4.029 5.153 ( -0.763 0.476 -11.434) 11.469 5.184 ( -1.025 0.877 -4.151) 4.365 5.205 ( -3.546 0.583 -5.727) 6.761 5.302 ( 0.180 0.115 -4.947) 4.952 5.507 ( 0.113 0.312 8.555) 8.561 5.550 ( 2.572 0.204 3.616) 4.443 5.610 ( -0.929 -1.226 1.068) 1.872 5.707 ( 1.674 0.182 -0.263) 1.704 5.760 ( 2.045 1.017 -7.130) 7.487 5.780 ( 1.076 0.736 -4.726) 4.902 6.009 ( -2.582 1.370 3.630) 4.661 6.107 ( -3.349 0.604 -3.581) 4.940 6.165 ( 3.747 0.665 4.914) 6.215 6.266 ( 1.939 0.137 -2.979) 3.557 6.371 ( 1.965 0.640 1.505) 2.556 6.413 ( 0.483 -0.978 -2.257) 2.506 6.421 ( 2.129 -2.901 -2.172) 4.203 6.541 ( 3.895 -2.734 1.791) 5.085 6.667 ( -3.074 0.413 3.688) 4.819 6.719 ( -3.373 2.825 -1.739) 4.731 6.731 ( -2.608 -1.612 -2.471) 3.938 6.914 ( -1.112 1.454 -4.886) 5.218 6.926 ( -5.130 -1.486 -2.141) 5.754 7.012 ( -4.640 -1.149 -9.994) 11.079 7.206 ( 2.918 0.228 1.152) 3.146 7.229 ( 3.030 0.127 0.923) 3.170 7.271 ( 2.346 -1.290 -4.648) 5.364 7.382 ( -1.086 -0.576 -3.336) 3.556 7.411 ( 0.010 0.245 0.216) 0.327 7.432 ( -2.239 -2.270 0.082) 3.189 7.525 ( 0.130 3.614 0.237) 3.624 7.590 ( -1.613 3.168 -4.733) 5.919 7.767 ( -3.433 1.485 -1.830) 4.164 7.790 ( -1.030 0.225 0.925) 1.403 7.911 ( 4.804 -3.707 1.467) 6.243 7.942 ( 3.186 0.256 2.827) 4.267 8.019 ( 1.639 1.035 -1.337) 2.355 8.031 ( 2.779 -2.392 -0.499) 3.700 8.134 ( 3.709 1.842 0.091) 4.142 8.167 ( 2.496 4.566 0.411) 5.220 8.189 ( 7.449 0.115 -1.127) 7.534 8.353 ( 7.704 5.619 -1.430) 9.642 8.503 ( -2.086 -2.009 1.012) 3.068 8.573 ( 0.962 -1.546 -0.663) 1.937 8.633 ( -4.035 -2.423 4.406) 6.447 8.710 ( -3.558 -2.923 4.596) 6.506 8.897 ( -4.431 0.498 -3.864) 5.900 8.939 ( -0.135 8.681 0.938) 8.733 9.073 ( -0.946 -2.362 -0.975) 2.725 9.080 ( -0.156 -6.736 -2.824) 7.306 9.339 ( -6.723 4.981 2.856) 8.841 9.404 ( -6.690 5.105 -2.097) 8.673 9.873 ( 3.679 -2.541 1.304) 4.658 9.892 ( 4.000 -2.105 0.051) 4.520 10.334 ( -0.921 -1.702 2.617) 3.255 10.357 ( -1.730 -1.596 0.982) 2.550 13.207 ( 4.004 -0.328 -0.571) 4.058 13.259 ( 4.501 0.477 -1.040) 4.645 13.594 ( 4.260 1.264 1.485) 4.685 13.658 ( 2.637 -0.041 -4.536) 5.247 13.964 ( -0.026 0.875 4.904) 4.981 14.055 ( -1.373 -1.746 -2.676) 3.477 14.138 ( -1.177 1.765 -4.908) 5.347 14.150 ( -0.511 0.717 -5.575) 5.644 15.859 ( 1.577 0.811 5.923) 6.183 15.901 ( 1.250 -0.037 2.165) 2.500 16.326 ( -0.941 2.455 9.308) 9.672 16.448 ( -2.084 0.954 -3.353) 4.062 16.624 ( 0.387 1.376 3.612) 3.885 16.712 ( -0.669 -0.773 -4.437) 4.553 16.851 ( -3.934 -4.553 2.441) 6.493 16.894 ( -2.596 -3.871 -1.538) 4.908 ======================= Grid point 82 (33/36) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -2.204 0.817 3.245) 4.007 1.122 ( -6.329 -1.524 -1.739) 6.739 1.252 ( -2.403 1.634 -2.068) 3.567 1.269 ( -3.864 1.284 -1.701) 4.413 1.478 ( 3.850 2.615 3.923) 6.087 1.546 ( -1.993 -0.024 1.437) 2.457 1.633 ( 1.934 4.931 0.082) 5.298 1.668 ( -0.903 2.507 -0.623) 2.737 1.764 ( 2.011 -1.208 2.495) 3.424 1.812 ( -0.147 -1.237 0.626) 1.394 1.832 ( 4.355 1.014 3.682) 5.792 1.932 ( -4.261 -1.229 -3.222) 5.482 1.945 ( -0.514 -0.514 1.866) 2.003 1.966 ( -0.175 1.087 2.721) 2.935 2.000 ( -1.428 3.699 -2.770) 4.836 2.041 ( -3.676 1.622 -2.425) 4.693 2.152 ( -0.373 3.567 0.533) 3.626 2.167 ( -1.864 3.235 -0.122) 3.735 2.367 ( 0.763 0.240 2.022) 2.174 2.390 ( -1.159 2.084 2.525) 3.473 2.513 ( 2.604 1.248 2.980) 4.149 2.519 ( 2.048 2.223 7.044) 7.665 2.651 ( 2.343 1.142 -2.249) 3.442 2.700 ( -1.129 2.681 -1.857) 3.451 2.742 ( 2.219 -2.973 -0.782) 3.791 2.755 ( -0.850 -2.431 -0.290) 2.592 2.775 ( -1.083 -1.715 -0.863) 2.204 2.808 ( -2.686 -2.995 -1.771) 4.396 3.021 ( 5.224 -3.891 -1.703) 6.733 3.125 ( -3.365 -4.114 -1.955) 5.663 3.270 ( 5.108 4.094 6.027) 8.898 3.284 ( 3.971 2.156 7.460) 8.722 3.321 ( 0.362 1.806 7.234) 7.465 3.365 ( -2.557 4.270 1.807) 5.295 3.381 ( 3.857 2.134 1.512) 4.660 3.458 ( -2.002 0.967 2.324) 3.216 3.577 ( 2.104 -2.788 3.309) 4.811 3.581 ( 1.177 -3.293 3.076) 4.657 4.236 ( -0.299 -4.154 -0.892) 4.259 4.265 ( -3.063 -3.973 -0.908) 5.098 4.485 ( 1.365 1.696 9.933) 10.169 4.518 ( -1.754 2.979 9.921) 10.506 4.697 ( 2.000 -3.141 1.266) 3.933 4.733 ( -0.965 -3.770 4.867) 6.231 4.801 ( -0.521 1.530 8.672) 8.821 4.827 ( -1.698 0.416 3.654) 4.050 4.922 ( 0.178 0.717 3.860) 3.930 4.962 ( -3.605 2.048 2.634) 4.912 5.138 ( -0.530 1.536 -11.237) 11.353 5.149 ( -1.539 1.729 -10.203) 10.462 5.203 ( 2.520 0.106 -5.458) 6.012 5.266 ( -3.041 0.575 -6.889) 7.552 5.529 ( 2.094 -3.319 7.685) 8.629 5.575 ( -1.875 -3.047 7.103) 7.953 5.637 ( 4.455 -3.325 -0.163) 5.561 5.713 ( -1.951 -3.467 -0.396) 3.998 5.798 ( 1.295 0.578 -5.470) 5.651 5.802 ( 0.844 0.547 -5.384) 5.477 5.967 ( -0.229 2.423 -0.698) 2.532 6.019 ( -4.389 1.180 -4.169) 6.168 6.243 ( 2.784 0.858 2.740) 4.000 6.273 ( -0.487 -0.147 -0.337) 0.610 6.405 ( 1.540 2.219 1.180) 2.947 6.427 ( 0.118 2.690 0.449) 2.730 6.525 ( 4.905 -2.524 0.533) 5.542 6.574 ( -0.976 -5.716 2.388) 6.271 6.616 ( 0.140 -3.238 1.384) 3.524 6.669 ( -3.186 0.560 0.386) 3.258 6.732 ( 4.511 2.102 -4.288) 6.570 6.837 ( -2.939 -1.044 -5.094) 5.973 6.859 ( -3.394 2.499 -5.730) 7.113 6.886 ( -5.905 0.741 -10.052) 11.682 7.247 ( 1.911 0.665 1.001) 2.257 7.273 ( 0.063 -0.657 3.852) 3.908 7.308 ( 0.441 -2.707 -0.684) 2.827 7.333 ( -1.908 -1.617 -1.370) 2.852 7.418 ( 2.452 1.360 -0.397) 2.832 7.444 ( -0.033 1.998 -1.451) 2.469 7.573 ( 1.752 4.965 -5.121) 7.344 7.606 ( 5.664 4.933 -2.458) 7.903 7.663 ( -5.631 2.187 -3.965) 7.226 7.720 ( -4.859 3.617 -1.104) 6.157 7.989 ( 2.289 1.258 4.104) 4.865 8.023 ( -0.893 2.033 1.120) 2.487 8.048 ( 5.126 -5.755 2.763) 8.187 8.086 ( 1.448 -4.652 0.861) 4.948 8.208 ( 2.203 1.430 -1.092) 2.844 8.212 ( 1.486 1.988 1.173) 2.746 8.404 ( 10.107 -5.575 0.617) 11.559 8.444 ( 0.648 -1.751 0.363) 1.902 8.465 ( -0.601 0.261 0.042) 0.657 8.577 ( -3.247 -0.009 0.272) 3.258 8.589 ( -0.382 -1.659 1.339) 2.166 8.649 ( -1.365 -1.009 -1.912) 2.557 8.822 ( 1.530 -0.894 -0.536) 1.852 8.954 ( 1.080 9.679 0.899) 9.781 8.980 ( -7.384 -6.186 1.101) 9.695 9.028 ( -4.488 1.544 -0.983) 4.847 9.254 ( -0.239 3.736 -1.096) 3.901 9.293 ( -3.600 3.871 -2.565) 5.875 9.938 ( 2.155 -2.248 0.981) 3.265 9.950 ( 1.193 -2.129 0.117) 2.444 10.318 ( -0.333 -1.333 2.315) 2.692 10.326 ( -1.027 -1.173 2.347) 2.818 13.295 ( 3.477 -2.059 -0.621) 4.088 13.323 ( 1.010 -1.940 -0.897) 2.364 13.688 ( 3.512 3.011 -1.361) 4.822 13.709 ( 1.421 2.549 -3.224) 4.349 13.974 ( 1.333 0.444 2.280) 2.678 14.017 ( -2.277 -0.668 -1.935) 3.062 14.119 ( -0.242 0.456 -4.142) 4.174 14.132 ( -1.123 -0.035 -5.497) 5.611 15.899 ( 1.928 0.784 5.274) 5.670 15.921 ( 0.159 0.404 3.355) 3.383 16.323 ( 1.301 1.214 6.472) 6.712 16.383 ( -3.803 0.502 0.313) 3.849 16.640 ( 1.215 0.548 3.420) 3.670 16.678 ( -2.325 -0.590 1.486) 2.822 16.803 ( -0.036 -2.772 -1.378) 3.096 16.834 ( -2.614 -3.062 -2.931) 4.980 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 3.146 5.811) 6.608 1.379 ( 0.000 -1.171 3.113) 3.326 1.434 ( 0.000 0.883 0.176) 0.901 1.450 ( 0.000 -0.408 -1.594) 1.646 1.471 ( 0.000 2.041 5.530) 5.895 1.517 ( 0.000 -1.890 5.650) 5.958 1.604 ( 0.000 1.322 -4.887) 5.062 1.629 ( 0.000 -1.197 -4.546) 4.701 1.746 ( 0.000 0.231 4.049) 4.056 1.758 ( 0.000 -1.003 3.197) 3.350 1.820 ( 0.000 4.391 3.258) 5.467 1.824 ( 0.000 3.636 1.942) 4.122 1.990 ( 0.000 -3.099 3.857) 4.948 1.999 ( 0.000 -3.572 -0.421) 3.597 2.128 ( 0.000 1.965 0.087) 1.967 2.172 ( 0.000 -2.615 1.163) 2.862 2.238 ( 0.000 2.610 -4.559) 5.254 2.275 ( 0.000 -0.988 -5.930) 6.012 2.409 ( 0.000 2.356 1.189) 2.639 2.452 ( 0.000 -1.417 -1.132) 1.814 2.484 ( 0.000 3.135 8.423) 8.987 2.501 ( 0.000 5.486 0.536) 5.512 2.526 ( 0.000 0.075 -0.301) 0.310 2.609 ( 0.000 -4.810 -4.821) 6.810 2.725 ( 0.000 0.632 0.659) 0.913 2.746 ( 0.000 -1.098 0.008) 1.098 2.775 ( 0.000 1.425 -0.791) 1.629 2.802 ( 0.000 -1.319 -2.513) 2.838 3.160 ( 0.000 5.433 1.579) 5.658 3.197 ( 0.000 5.761 -2.259) 6.188 3.221 ( 0.000 3.078 7.436) 8.048 3.241 ( 0.000 3.327 5.715) 6.613 3.271 ( 0.000 1.162 2.565) 2.816 3.309 ( 0.000 0.789 0.086) 0.794 3.362 ( 0.000 -1.092 3.022) 3.213 3.401 ( 0.000 -0.104 3.018) 3.020 3.423 ( 0.000 -3.022 2.366) 3.837 3.474 ( 0.000 -6.058 0.396) 6.071 4.122 ( 0.000 -5.121 -0.948) 5.208 4.138 ( 0.000 -6.821 -2.300) 7.198 4.478 ( 0.000 1.587 12.693) 12.792 4.530 ( 0.000 -3.485 10.607) 11.165 4.660 ( 0.000 0.369 -4.557) 4.572 4.679 ( 0.000 -1.200 -2.572) 2.838 4.892 ( 0.000 2.042 13.357) 13.512 4.932 ( 0.000 -1.754 8.486) 8.665 4.946 ( 0.000 3.860 7.421) 8.365 5.033 ( 0.000 -4.078 7.171) 8.249 5.196 ( 0.000 0.390 -3.423) 3.445 5.219 ( 0.000 3.234 -13.000) 13.397 5.224 ( 0.000 -1.678 -7.422) 7.609 5.280 ( 0.000 -2.114 -10.288) 10.503 5.538 ( 0.000 3.423 9.864) 10.441 5.607 ( 0.000 -2.452 3.676) 4.419 5.640 ( 0.000 2.957 -0.844) 3.075 5.665 ( 0.000 -0.309 -1.260) 1.298 5.790 ( 0.000 1.787 -2.484) 3.060 5.796 ( 0.000 1.038 -2.755) 2.944 6.081 ( 0.000 3.225 -2.025) 3.808 6.139 ( 0.000 -1.544 -4.271) 4.542 6.139 ( 0.000 1.492 2.067) 2.549 6.178 ( 0.000 -2.097 -2.393) 3.182 6.374 ( 0.000 0.947 0.356) 1.012 6.384 ( 0.000 0.329 -1.424) 1.462 6.406 ( 0.000 -1.206 -0.621) 1.357 6.419 ( 0.000 -1.975 -2.992) 3.585 6.714 ( 0.000 -2.559 1.507) 2.969 6.722 ( 0.000 -3.266 -0.429) 3.294 6.844 ( 0.000 4.992 3.448) 6.067 6.912 ( 0.000 3.564 -2.595) 4.409 6.961 ( 0.000 -1.934 -2.743) 3.356 7.021 ( 0.000 -2.993 -6.734) 7.369 7.142 ( 0.000 0.129 -0.261) 0.292 7.159 ( 0.000 -2.061 -1.694) 2.668 7.346 ( 0.000 2.590 -1.676) 3.085 7.349 ( 0.000 2.954 -2.313) 3.751 7.436 ( 0.000 -1.509 -2.372) 2.811 7.438 ( 0.000 -1.782 -0.978) 2.033 7.504 ( 0.000 -3.507 -3.235) 4.771 7.513 ( 0.000 -3.282 -3.567) 4.847 7.793 ( 0.000 2.673 2.805) 3.875 7.810 ( 0.000 1.621 2.294) 2.809 7.907 ( 0.000 1.822 -1.868) 2.610 7.929 ( 0.000 -0.127 -2.348) 2.351 7.992 ( 0.000 0.465 0.757) 0.888 7.995 ( 0.000 0.013 -0.314) 0.314 8.123 ( 0.000 1.285 0.509) 1.382 8.134 ( 0.000 0.443 -0.707) 0.834 8.322 ( 0.000 5.444 1.305) 5.598 8.356 ( 0.000 2.791 -1.922) 3.389 8.503 ( 0.000 0.039 0.930) 0.930 8.528 ( 0.000 -1.901 -1.566) 2.463 8.644 ( 0.000 -0.931 5.599) 5.676 8.670 ( 0.000 -3.109 4.144) 5.180 8.906 ( 0.000 -2.018 -2.599) 3.291 8.934 ( 0.000 -4.789 -4.250) 6.403 9.106 ( 0.000 4.827 0.800) 4.892 9.120 ( 0.000 3.202 -0.775) 3.294 9.521 ( 0.000 3.864 3.493) 5.209 9.562 ( 0.000 0.505 -0.604) 0.788 9.762 ( 0.000 -1.979 0.786) 2.130 9.771 ( 0.000 -2.521 -0.030) 2.521 10.316 ( 0.000 -0.477 2.061) 2.116 10.333 ( 0.000 -1.945 0.189) 1.954 13.200 ( 0.000 1.605 0.694) 1.749 13.216 ( 0.000 0.188 -0.949) 0.968 13.558 ( 0.000 1.036 0.194) 1.054 13.589 ( 0.000 -1.895 -2.980) 3.532 13.993 ( 0.000 1.698 2.967) 3.418 14.031 ( 0.000 -1.939 -0.135) 1.944 14.179 ( 0.000 0.846 -5.584) 5.648 14.181 ( 0.000 0.745 -6.498) 6.540 15.862 ( 0.000 0.997 5.100) 5.197 15.879 ( 0.000 -0.599 3.592) 3.641 16.415 ( 0.000 4.044 7.562) 8.576 16.474 ( 0.000 -1.206 1.684) 2.071 16.689 ( 0.000 4.823 -0.359) 4.836 16.715 ( 0.000 0.825 -3.081) 3.189 16.779 ( 0.000 -5.139 1.346) 5.312 16.811 ( 0.000 -6.130 -1.525) 6.317 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -7.119 2.750 6.258) 9.869 1.270 ( -8.340 -0.541 3.316) 8.991 1.353 ( -6.182 0.131 -4.981) 7.940 1.370 ( -4.247 -1.051 -2.276) 4.932 1.504 ( 0.320 2.729 3.132) 4.167 1.543 ( -0.329 -1.112 0.792) 1.404 1.643 ( 4.994 0.446 0.160) 5.017 1.660 ( 3.763 -1.279 -0.956) 4.088 1.753 ( 1.202 4.893 0.951) 5.127 1.777 ( -0.858 3.942 7.017) 8.094 1.792 ( 1.905 -1.526 2.597) 3.564 1.910 ( 2.980 -2.776 2.522) 4.790 1.983 ( -0.812 -0.393 4.805) 4.889 2.029 ( 0.655 -2.088 -1.191) 2.491 2.060 ( -3.459 1.489 -4.890) 6.172 2.086 ( -5.313 -1.756 -5.448) 7.810 2.246 ( 0.089 3.651 -1.305) 3.878 2.307 ( -0.268 -2.749 0.388) 2.789 2.367 ( -1.318 7.151 -0.581) 7.295 2.475 ( 0.105 -1.706 0.694) 1.845 2.501 ( 1.051 5.438 2.852) 6.230 2.521 ( 2.872 2.340 6.003) 7.055 2.567 ( 2.864 -1.728 0.315) 3.360 2.624 ( 1.179 -4.757 -3.070) 5.783 2.717 ( 0.962 0.547 0.261) 1.137 2.733 ( -0.724 -1.508 -0.209) 1.686 2.791 ( -0.945 0.106 -1.993) 2.209 2.796 ( -0.282 -0.486 -1.884) 1.966 3.041 ( -5.446 4.674 0.020) 7.177 3.124 ( -5.193 -3.330 -0.035) 6.169 3.269 ( 3.509 5.139 10.403) 12.122 3.306 ( 3.671 7.338 1.680) 8.375 3.323 ( 2.246 0.931 7.084) 7.490 3.363 ( 3.029 1.877 -0.855) 3.665 3.410 ( 1.892 -0.737 2.476) 3.202 3.425 ( 2.653 -3.272 4.213) 5.958 3.446 ( 3.697 -1.161 1.279) 4.081 3.479 ( 1.020 -4.347 0.524) 4.496 4.131 ( 0.909 -4.047 -1.438) 4.390 4.157 ( 1.000 -6.673 -1.214) 6.856 4.488 ( 1.294 2.179 11.391) 11.670 4.542 ( 1.144 -2.454 9.889) 10.253 4.658 ( -0.201 0.583 -3.544) 3.597 4.680 ( -0.462 -1.660 -0.037) 1.724 4.875 ( -1.707 1.925 11.378) 11.666 4.897 ( -2.353 1.180 6.618) 7.123 4.941 ( -0.652 0.874 8.731) 8.799 5.003 ( -1.766 -3.605 6.918) 7.998 5.198 ( -0.090 0.624 -6.069) 6.101 5.204 ( -1.304 3.030 -10.009) 10.539 5.210 ( -1.101 0.271 -7.324) 7.411 5.273 ( -0.645 -2.681 -6.995) 7.519 5.526 ( -0.681 1.106 5.067) 5.231 5.555 ( -2.987 -1.013 0.258) 3.165 5.609 ( -2.428 2.602 0.962) 3.687 5.677 ( -1.122 -2.878 -0.105) 3.091 5.786 ( 0.436 1.298 -4.490) 4.694 5.798 ( 0.473 0.335 -3.143) 3.196 6.055 ( -2.059 2.838 -0.572) 3.553 6.103 ( -2.924 -1.318 -3.424) 4.692 6.201 ( 4.385 2.626 2.377) 5.637 6.251 ( 3.344 -1.695 -1.691) 4.113 6.365 ( 2.381 -0.102 0.123) 2.387 6.384 ( 0.628 -1.419 -1.516) 2.169 6.414 ( 1.911 1.111 -1.209) 2.520 6.464 ( 1.594 -3.847 -1.256) 4.350 6.638 ( -3.627 0.762 1.619) 4.045 6.696 ( -3.108 -3.098 -0.663) 4.438 6.845 ( -1.237 4.444 -1.173) 4.760 6.874 ( -3.257 -0.227 -1.841) 3.748 6.953 ( -1.145 1.080 -3.970) 4.271 6.984 ( -3.404 -1.675 -7.841) 8.711 7.197 ( 4.511 0.361 1.342) 4.720 7.224 ( 4.065 -2.027 0.758) 4.605 7.277 ( -1.714 2.579 -0.467) 3.132 7.347 ( -3.039 -3.767 0.666) 4.886 7.400 ( -0.595 0.048 -3.247) 3.301 7.408 ( 0.588 -0.471 -5.286) 5.340 7.575 ( 6.757 3.058 -2.035) 7.691 7.643 ( 4.321 -1.072 -1.425) 4.675 7.795 ( 0.082 1.890 1.568) 2.457 7.822 ( -0.175 1.845 0.780) 2.010 7.861 ( -1.252 -0.315 0.046) 1.292 7.909 ( -0.794 -2.844 -1.148) 3.168 8.027 ( 2.442 1.023 0.664) 2.729 8.038 ( 2.867 0.284 0.570) 2.937 8.170 ( 3.826 1.657 -0.219) 4.175 8.192 ( 4.772 -0.258 -0.240) 4.785 8.284 ( -1.790 6.120 0.090) 6.377 8.386 ( 0.097 -2.883 -0.415) 2.914 8.496 ( -0.314 1.310 0.611) 1.479 8.542 ( 2.250 -2.092 -0.603) 3.130 8.621 ( -1.058 1.354 2.437) 2.982 8.653 ( -1.902 -1.796 3.518) 4.384 8.855 ( -5.097 -1.152 -3.011) 6.031 8.918 ( -2.015 -6.189 -2.266) 6.892 9.104 ( 0.221 4.832 0.769) 4.898 9.121 ( 0.148 2.835 -0.670) 2.917 9.424 ( -6.903 3.196 1.723) 7.799 9.461 ( -6.969 0.166 -0.839) 7.021 9.826 ( 4.266 -1.118 1.022) 4.527 9.842 ( 4.273 -2.230 0.119) 4.821 10.307 ( -0.714 -0.483 2.087) 2.258 10.320 ( -1.053 -1.567 1.234) 2.256 13.219 ( 2.090 1.273 -0.360) 2.473 13.248 ( 2.208 -1.273 -0.551) 2.608 13.625 ( 5.744 1.509 -0.654) 5.975 13.650 ( 5.049 -0.807 -2.824) 5.841 13.988 ( -0.370 1.468 2.372) 2.814 14.021 ( -0.885 -1.649 -0.475) 1.931 14.163 ( -1.541 0.725 -6.163) 6.394 14.166 ( -1.342 0.489 -4.908) 5.111 15.879 ( 1.586 1.001 5.103) 5.437 15.895 ( 1.488 -0.534 3.654) 3.981 16.392 ( -2.012 3.614 7.956) 8.967 16.449 ( -2.476 -1.407 2.496) 3.787 16.678 ( -0.767 3.740 -0.707) 3.883 16.704 ( -1.093 0.397 -2.158) 2.451 16.756 ( -1.488 -3.584 0.619) 3.930 16.793 ( -1.568 -5.355 -1.849) 5.878 ======================= Grid point 87 (36/36) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -4.526 0.668 0.453) 4.597 1.103 ( -5.544 -0.501 -0.681) 5.609 1.283 ( -0.987 1.593 -1.723) 2.545 1.298 ( -2.315 0.516 -0.907) 2.539 1.524 ( 1.657 1.658 1.186) 2.627 1.545 ( 0.032 -0.376 0.523) 0.645 1.688 ( 0.423 0.253 0.429) 0.654 1.693 ( -0.035 -0.195 -0.052) 0.205 1.782 ( 1.567 2.483 3.277) 4.400 1.813 ( 0.455 0.175 0.443) 0.659 1.835 ( 1.890 1.328 0.045) 2.310 1.897 ( -4.884 -2.689 -1.600) 5.801 1.947 ( 0.216 1.494 0.320) 1.543 1.977 ( 1.010 -0.641 1.766) 2.133 2.063 ( 0.924 1.583 -1.329) 2.264 2.071 ( 0.286 0.705 -1.453) 1.640 2.235 ( -0.671 3.687 0.615) 3.798 2.254 ( -2.898 2.906 1.213) 4.279 2.378 ( 1.708 2.863 1.168) 3.533 2.430 ( -3.010 0.734 2.341) 3.883 2.555 ( 2.544 1.752 3.171) 4.427 2.572 ( 1.552 2.574 2.189) 3.719 2.618 ( 1.414 -4.122 -0.626) 4.402 2.641 ( 0.591 -5.231 -0.194) 5.268 2.716 ( -1.163 0.049 0.356) 1.217 2.735 ( -1.592 -1.150 -0.842) 2.137 2.778 ( 0.312 1.117 -1.496) 1.893 2.786 ( 1.378 1.712 -0.311) 2.220 2.971 ( -0.434 -0.239 -1.962) 2.024 3.027 ( -4.363 -4.704 -1.316) 6.549 3.333 ( 0.892 2.252 7.537) 7.917 3.340 ( 0.319 1.561 5.526) 5.752 3.375 ( 3.681 3.633 2.141) 5.598 3.417 ( 1.229 0.310 0.301) 1.303 3.437 ( 1.355 1.376 2.910) 3.492 3.462 ( 0.167 -1.551 3.263) 3.617 3.520 ( 2.318 -0.925 6.438) 6.905 3.526 ( 1.928 -1.010 5.826) 6.219 4.149 ( 0.688 -3.136 -1.114) 3.398 4.161 ( -0.448 -4.379 -0.850) 4.483 4.533 ( 2.624 2.698 9.506) 10.224 4.565 ( 0.266 0.711 9.179) 9.210 4.649 ( -0.559 -1.444 0.624) 1.670 4.654 ( -1.303 -2.405 1.680) 3.210 4.843 ( -0.668 1.937 6.529) 6.843 4.854 ( -1.567 1.153 7.053) 7.317 4.941 ( 0.946 1.166 7.627) 7.773 4.972 ( -1.614 -1.241 6.597) 6.904 5.179 ( -0.719 2.292 -8.775) 9.098 5.181 ( -0.817 1.931 -9.754) 9.977 5.210 ( 1.047 -0.065 -3.757) 3.901 5.247 ( -1.955 -2.423 -4.870) 5.780 5.504 ( -0.200 0.625 1.422) 1.566 5.530 ( -1.652 -1.049 4.641) 5.037 5.574 ( 1.040 -1.258 -4.743) 5.016 5.627 ( -3.035 -4.438 -3.309) 6.313 5.802 ( 0.619 -0.001 -3.764) 3.814 5.807 ( 0.163 -0.293 -3.387) 3.404 6.021 ( -0.641 2.312 -1.010) 2.603 6.040 ( -2.412 0.466 -2.481) 3.492 6.253 ( 0.598 0.234 -0.247) 0.688 6.260 ( -0.479 -0.643 -1.291) 1.520 6.443 ( 4.379 1.006 3.876) 5.934 6.451 ( 2.005 -0.381 -0.763) 2.179 6.470 ( 0.416 -2.350 -0.770) 2.507 6.489 ( 2.975 -1.459 4.515) 5.601 6.589 ( -0.493 0.992 0.102) 1.112 6.636 ( -2.358 -2.684 -1.287) 3.797 6.799 ( -1.451 2.042 -6.070) 6.567 6.821 ( -2.335 -0.183 -8.057) 8.391 6.904 ( -2.287 1.598 -4.166) 5.014 6.913 ( -2.396 1.239 -3.807) 4.666 7.254 ( 1.284 0.179 -0.055) 1.298 7.267 ( 1.246 -0.499 -0.732) 1.529 7.276 ( 0.060 0.845 1.970) 2.145 7.310 ( -2.056 -1.310 0.296) 2.456 7.438 ( 3.085 0.036 -1.960) 3.656 7.444 ( 2.409 -0.889 -3.075) 4.006 7.680 ( 0.890 4.845 -0.766) 4.986 7.708 ( 5.017 2.878 -0.473) 5.803 7.735 ( -3.625 5.453 -1.728) 6.772 7.794 ( -2.413 2.958 0.032) 3.817 7.906 ( 2.471 -6.202 1.652) 6.877 7.919 ( 1.026 -7.387 0.974) 7.522 8.070 ( 1.292 2.119 1.636) 2.973 8.078 ( 0.606 1.993 1.827) 2.771 8.241 ( 2.250 1.753 0.023) 2.853 8.261 ( -0.240 2.966 0.498) 3.017 8.294 ( 3.743 -3.597 0.145) 5.193 8.353 ( -2.388 -5.253 -0.051) 5.770 8.528 ( 3.960 3.778 -0.655) 5.512 8.572 ( -0.156 -0.694 -0.538) 0.892 8.605 ( -1.158 0.917 1.427) 2.054 8.670 ( 2.874 2.399 -1.043) 3.887 8.717 ( -4.691 -3.743 -1.258) 6.132 8.829 ( -6.378 -7.544 -0.552) 9.895 9.119 ( 0.963 5.086 0.583) 5.209 9.130 ( 0.313 4.228 -0.419) 4.260 9.311 ( -2.607 1.944 -0.535) 3.296 9.336 ( -4.343 0.105 -1.359) 4.552 9.895 ( 2.013 -1.270 0.642) 2.465 9.903 ( 1.343 -1.871 0.141) 2.307 10.295 ( -0.246 -0.579 2.461) 2.540 10.300 ( -0.689 -0.980 2.445) 2.723 13.268 ( 2.014 -0.290 -0.608) 2.124 13.283 ( 0.720 -1.595 -0.632) 1.861 13.742 ( 3.985 1.744 -1.911) 4.752 13.750 ( 3.215 0.987 -2.759) 4.350 13.987 ( 0.442 0.739 0.323) 0.920 14.002 ( -0.810 -0.729 -1.310) 1.704 14.127 ( -1.401 0.295 -4.330) 4.561 14.131 ( -1.643 -0.102 -4.063) 4.383 15.917 ( 1.623 0.792 4.795) 5.124 15.926 ( 0.906 -0.030 3.997) 4.098 16.354 ( -0.750 1.695 7.670) 7.891 16.382 ( -3.149 -0.774 5.144) 6.081 16.668 ( -0.070 2.108 -0.828) 2.266 16.678 ( -1.028 0.740 -0.987) 1.606 16.741 ( 0.097 -2.553 -1.347) 2.888 16.758 ( -1.481 -3.763 -2.146) 4.578 =================== 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 3/21000 10.0 120.078 120.144 144.144 0.000 0.000 -0.000 3/21000 20.0 18.829 20.770 21.919 0.000 0.000 -0.000 3/21000 30.0 8.858 9.659 10.214 0.000 0.000 -0.000 3/21000 40.0 5.670 6.218 6.682 0.000 0.000 -0.000 3/21000 50.0 4.142 4.572 5.027 0.000 0.000 -0.000 3/21000 60.0 3.247 3.600 4.054 0.000 0.000 -0.000 3/21000 70.0 2.661 2.959 3.404 0.000 0.000 -0.000 3/21000 80.0 2.250 2.506 2.936 0.000 0.000 -0.000 3/21000 90.0 1.948 2.172 2.583 0.000 0.000 -0.000 3/21000 100.0 1.717 1.915 2.307 0.000 0.000 -0.000 3/21000 110.0 1.535 1.713 2.085 0.000 0.000 -0.000 3/21000 120.0 1.389 1.550 1.904 0.000 0.000 -0.000 3/21000 130.0 1.269 1.415 1.753 0.000 0.000 -0.000 3/21000 140.0 1.169 1.303 1.626 0.000 0.000 -0.000 3/21000 150.0 1.084 1.208 1.516 0.000 0.000 -0.000 3/21000 160.0 1.011 1.125 1.422 0.000 0.000 -0.000 3/21000 170.0 0.947 1.054 1.338 0.000 0.000 -0.000 3/21000 180.0 0.892 0.991 1.265 0.000 0.000 -0.000 3/21000 190.0 0.842 0.936 1.200 0.000 0.000 -0.000 3/21000 200.0 0.798 0.886 1.141 0.000 0.000 -0.000 3/21000 210.0 0.759 0.842 1.088 0.000 0.000 -0.000 3/21000 220.0 0.723 0.802 1.040 0.000 0.000 -0.000 3/21000 230.0 0.691 0.766 0.996 0.000 0.000 -0.000 3/21000 240.0 0.661 0.733 0.956 0.000 0.000 -0.000 3/21000 250.0 0.634 0.702 0.919 0.000 0.000 -0.000 3/21000 260.0 0.609 0.675 0.885 0.000 0.000 -0.000 3/21000 270.0 0.586 0.649 0.853 0.000 0.000 -0.000 3/21000 280.0 0.565 0.625 0.824 0.000 0.000 -0.000 3/21000 290.0 0.545 0.603 0.796 0.000 0.000 -0.000 3/21000 300.0 0.527 0.583 0.771 0.000 0.000 -0.000 3/21000 310.0 0.510 0.563 0.747 0.000 0.000 -0.000 3/21000 320.0 0.494 0.545 0.724 0.000 0.000 -0.000 3/21000 330.0 0.479 0.529 0.703 0.000 0.000 -0.000 3/21000 340.0 0.465 0.513 0.683 0.000 0.000 -0.000 3/21000 350.0 0.451 0.498 0.664 0.000 0.000 -0.000 3/21000 360.0 0.439 0.484 0.646 0.000 0.000 -0.000 3/21000 370.0 0.427 0.471 0.629 0.000 0.000 -0.000 3/21000 380.0 0.415 0.458 0.613 0.000 0.000 -0.000 3/21000 390.0 0.405 0.446 0.598 0.000 0.000 -0.000 3/21000 400.0 0.395 0.435 0.583 0.000 0.000 -0.000 3/21000 410.0 0.385 0.424 0.570 0.000 0.000 -0.000 3/21000 420.0 0.376 0.414 0.556 0.000 0.000 -0.000 3/21000 430.0 0.367 0.404 0.544 0.000 0.000 -0.000 3/21000 440.0 0.359 0.395 0.532 0.000 0.000 -0.000 3/21000 450.0 0.351 0.386 0.520 0.000 0.000 -0.000 3/21000 460.0 0.343 0.378 0.509 0.000 0.000 -0.000 3/21000 470.0 0.336 0.370 0.498 0.000 0.000 -0.000 3/21000 480.0 0.329 0.362 0.488 0.000 0.000 -0.000 3/21000 490.0 0.322 0.355 0.479 0.000 0.000 -0.000 3/21000 500.0 0.316 0.347 0.469 0.000 0.000 -0.000 3/21000 510.0 0.309 0.341 0.460 0.000 0.000 -0.000 3/21000 520.0 0.303 0.334 0.452 0.000 0.000 -0.000 3/21000 530.0 0.298 0.328 0.443 0.000 0.000 -0.000 3/21000 540.0 0.292 0.322 0.435 0.000 0.000 -0.000 3/21000 550.0 0.287 0.316 0.427 0.000 0.000 -0.000 3/21000 560.0 0.282 0.310 0.420 0.000 0.000 -0.000 3/21000 570.0 0.277 0.305 0.413 0.000 0.000 -0.000 3/21000 580.0 0.272 0.299 0.406 0.000 0.000 -0.000 3/21000 590.0 0.267 0.294 0.399 0.000 0.000 -0.000 3/21000 600.0 0.263 0.289 0.392 0.000 0.000 -0.000 3/21000 610.0 0.259 0.285 0.386 0.000 0.000 -0.000 3/21000 620.0 0.255 0.280 0.380 0.000 0.000 -0.000 3/21000 630.0 0.250 0.276 0.374 0.000 0.000 -0.000 3/21000 640.0 0.247 0.271 0.368 0.000 0.000 -0.000 3/21000 650.0 0.243 0.267 0.363 0.000 0.000 -0.000 3/21000 660.0 0.239 0.263 0.357 0.000 0.000 -0.000 3/21000 670.0 0.236 0.259 0.352 0.000 0.000 -0.000 3/21000 680.0 0.232 0.255 0.347 0.000 0.000 -0.000 3/21000 690.0 0.229 0.251 0.342 0.000 0.000 -0.000 3/21000 700.0 0.225 0.248 0.337 0.000 0.000 -0.000 3/21000 710.0 0.222 0.244 0.332 0.000 0.000 -0.000 3/21000 720.0 0.219 0.241 0.328 0.000 0.000 -0.000 3/21000 730.0 0.216 0.238 0.323 0.000 0.000 -0.000 3/21000 740.0 0.213 0.234 0.319 0.000 0.000 -0.000 3/21000 750.0 0.210 0.231 0.315 0.000 0.000 -0.000 3/21000 760.0 0.208 0.228 0.311 0.000 0.000 -0.000 3/21000 770.0 0.205 0.225 0.307 0.000 0.000 -0.000 3/21000 780.0 0.202 0.222 0.303 0.000 0.000 -0.000 3/21000 790.0 0.200 0.220 0.299 0.000 0.000 -0.000 3/21000 800.0 0.197 0.217 0.295 0.000 0.000 -0.000 3/21000 810.0 0.195 0.214 0.292 0.000 0.000 -0.000 3/21000 820.0 0.192 0.212 0.288 0.000 0.000 -0.000 3/21000 830.0 0.190 0.209 0.285 0.000 0.000 -0.000 3/21000 840.0 0.188 0.207 0.281 0.000 0.000 -0.000 3/21000 850.0 0.186 0.204 0.278 0.000 0.000 -0.000 3/21000 860.0 0.184 0.202 0.275 0.000 0.000 -0.000 3/21000 870.0 0.181 0.199 0.272 0.000 0.000 -0.000 3/21000 880.0 0.179 0.197 0.269 0.000 0.000 -0.000 3/21000 890.0 0.177 0.195 0.266 0.000 0.000 -0.000 3/21000 900.0 0.175 0.193 0.263 0.000 0.000 -0.000 3/21000 910.0 0.173 0.191 0.260 0.000 0.000 -0.000 3/21000 920.0 0.172 0.189 0.257 0.000 0.000 -0.000 3/21000 930.0 0.170 0.187 0.254 0.000 0.000 -0.000 3/21000 940.0 0.168 0.185 0.252 0.000 0.000 -0.000 3/21000 950.0 0.166 0.183 0.249 0.000 0.000 -0.000 3/21000 960.0 0.164 0.181 0.246 0.000 0.000 -0.000 3/21000 970.0 0.163 0.179 0.244 0.000 0.000 -0.000 3/21000 980.0 0.161 0.177 0.242 0.000 0.000 -0.000 3/21000 990.0 0.159 0.175 0.239 0.000 0.000 -0.000 3/21000 1000.0 0.158 0.173 0.237 0.000 0.000 -0.000 3/21000 Thermal conductivity related properties were written into "kappa-m557.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:44:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|