# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4f70e2e4-29ff-4f7f-8f05-cd4aa2b9fb4b/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Li7VAs4 / C2/c (15) / materials id 673833](https://mdr.nims.go.jp/datasets/9a382789-9ee4-4d38-8034-10374137b589) ## Fulltext ----------------------------- ------- calculate fc2 ------- ----------------------------- \_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_ \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_(\_) .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 2.47.1 -------------------------\[time 2026-01-08 21:33:49\]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy\_mlp\_eval\_fc2\_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: \[1 2 1\] Primitive matrix: \[ 0.5 0.5 -0. \] \[-0.5 0.5 0. \] \[0. 0. 1.\] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.598867355000014 -2.991295599999999 0.000000000000000 b 6.598867355000014 2.991295599999999 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): \*1 Li 0.02426408125363 0.47607585044369 0.87692431604420 6.941 \*2 Li 0.76113594945567 0.23886405054433 0.75000000000000 6.941 \*3 Li 0.53310957177866 0.98643235794340 0.87809031266942 6.941 4 Li 0.52392414955631 0.97573591874637 0.62307568395580 6.941 \*5 Li 0.24895261872394 0.74820045444959 0.49170111079789 6.941 6 Li 0.01356764205660 0.46689042822134 0.62190968733058 6.941 7 Li 0.98643235794340 0.53310957177866 0.37809031266942 6.941 8 Li 0.75104738127606 0.25179954555041 0.50829888920211 6.941 9 Li 0.47607585044369 0.02426408125363 0.37692431604421 6.941 10 Li 0.25179954555041 0.75104738127606 0.00829888920211 6.941 11 Li 0.46689042822134 0.01356764205660 0.12190968733058 6.941 12 Li 0.97573591874637 0.52392414955631 0.12307568395580 6.941 13 Li 0.23886405054433 0.76113594945567 0.25000000000000 6.941 14 Li 0.74820045444959 0.24895261872394 0.99170111079789 6.941 \*15 V 0.26068022796912 0.73931977203088 0.75000000000000 50.941 16 V 0.73931977203088 0.26068022796912 0.25000000000000 50.941 \*17 As 0.60047843431419 0.63360068911546 0.92385537083725 74.922 \*18 As 0.15583607647591 0.07921639634657 0.69368846485819 74.922 19 As 0.92078360365343 0.84416392352409 0.80631153514181 74.922 20 As 0.63360068911546 0.60047843431419 0.42385537083725 74.922 21 As 0.36639931088454 0.39952156568582 0.57614462916275 74.922 22 As 0.07921639634657 0.15583607647591 0.19368846485819 74.922 23 As 0.84416392352409 0.92078360365343 0.30631153514181 74.922 24 As 0.39952156568581 0.36639931088454 0.07614462916275 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.197734710000027 0.000000000000000 0.000000000000000 b 0.000000000000000 5.982591199999999 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): \*1 Li 0.25016996584866 0.22590588459503 0.87692431604420 6.941 \> 1 \*2 Li 0.00000000000000 0.23886405054433 0.75000000000000 6.941 \> 2 \*3 Li 0.25977096486103 0.72666139308237 0.87809031266942 6.941 \> 3 4 Li 0.24983003415134 0.72590588459503 0.62307568395580 6.941 \> 4 \*5 Li 0.99857653658676 0.74962391786282 0.49170111079789 6.941 \> 5 6 Li 0.24022903513897 0.22666139308237 0.62190968733058 6.941 \> 6 7 Li 0.75977096486103 0.77333860691763 0.37809031266942 6.941 \> 7 8 Li 0.00142346341324 0.25037608213718 0.50829888920211 6.941 \> 8 9 Li 0.75016996584866 0.27409411540497 0.37692431604421 6.941 \> 9 10 Li 0.00142346341324 0.74962391786282 0.00829888920211 6.941 \> 10 11 Li 0.74022903513897 0.27333860691763 0.12190968733058 6.941 \> 11 12 Li 0.74983003415134 0.77409411540497 0.12307568395580 6.941 \> 12 13 Li 0.00000000000000 0.76113594945567 0.25000000000000 6.941 \> 13 14 Li 0.99857653658676 0.25037608213718 0.99170111079789 6.941 \> 14 15 Li 0.75016996584866 0.72590588459503 0.87692431604420 6.941 \> 1 16 Li 0.50000000000000 0.73886405054433 0.75000000000000 6.941 \> 2 17 Li 0.75977096486103 0.22666139308237 0.87809031266942 6.941 \> 3 18 Li 0.74983003415134 0.22590588459503 0.62307568395580 6.941 \> 4 19 Li 0.49857653658676 0.24962391786282 0.49170111079789 6.941 \> 5 20 Li 0.74022903513897 0.72666139308237 0.62190968733058 6.941 \> 6 21 Li 0.25977096486103 0.27333860691763 0.37809031266942 6.941 \> 7 22 Li 0.50142346341324 0.75037608213718 0.50829888920211 6.941 \> 8 23 Li 0.25016996584866 0.77409411540497 0.37692431604421 6.941 \> 9 24 Li 0.50142346341324 0.24962391786282 0.00829888920211 6.941 \> 10 25 Li 0.24022903513897 0.77333860691763 0.12190968733058 6.941 \> 11 26 Li 0.24983003415134 0.27409411540497 0.12307568395580 6.941 \> 12 27 Li 0.50000000000000 0.26113594945567 0.25000000000000 6.941 \> 13 28 Li 0.49857653658676 0.75037608213718 0.99170111079789 6.941 \> 14 \*29 V 0.00000000000000 0.73931977203088 0.75000000000000 50.941 \> 15 30 V 0.00000000000000 0.26068022796912 0.25000000000000 50.941 \> 16 31 V 0.50000000000000 0.23931977203088 0.75000000000000 50.941 \> 15 32 V 0.50000000000000 0.76068022796912 0.25000000000000 50.941 \> 16 \*33 As 0.11703956171482 0.51656112740064 0.92385537083725 74.922 \> 17 \*34 As 0.11752623641124 0.96169015993533 0.69368846485819 74.922 \> 18 35 As 0.38247376358876 0.46169015993533 0.80631153514181 74.922 \> 19 36 As 0.11703956171482 0.48343887259936 0.42385537083725 74.922 \> 20 37 As 0.88296043828518 0.51656112740064 0.57614462916275 74.922 \> 21 38 As 0.61752623641124 0.53830984006467 0.19368846485819 74.922 \> 22 39 As 0.88247376358876 0.03830984006467 0.30631153514181 74.922 \> 23 40 As 0.88296043828518 0.48343887259936 0.07614462916275 74.922 \> 24 41 As 0.61703956171482 0.01656112740064 0.92385537083725 74.922 \> 17 42 As 0.61752623641124 0.46169015993533 0.69368846485819 74.922 \> 18 43 As 0.88247376358876 0.96169015993533 0.80631153514181 74.922 \> 19 44 As 0.61703956171482 0.98343887259936 0.42385537083725 74.922 \> 20 45 As 0.38296043828518 0.01656112740064 0.57614462916275 74.922 \> 21 46 As 0.11752623641124 0.03830984006467 0.19368846485819 74.922 \> 22 47 As 0.38247376358876 0.53830984006467 0.30631153514181 74.922 \> 23 48 As 0.38296043828518 0.98343887259936 0.07614462916275 74.922 \> 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.197734710000027 0.000000000000000 0.000000000000000 b 0.000000000000000 11.965182399999998 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): \*1 Li 0.25016996584866 0.11295294229752 0.87692431604420 6.941 \> 1 2 Li 0.25016996584866 0.61295294229752 0.87692431604420 6.941 \> 1 \*3 Li 0.00000000000000 0.11943202527217 0.75000000000000 6.941 \> 2 4 Li 0.00000000000000 0.61943202527217 0.75000000000000 6.941 \> 2 \*5 Li 0.25977096486103 0.36333069654118 0.87809031266942 6.941 \> 3 6 Li 0.25977096486103 0.86333069654118 0.87809031266942 6.941 \> 3 7 Li 0.24983003415134 0.36295294229752 0.62307568395580 6.941 \> 4 8 Li 0.24983003415134 0.86295294229752 0.62307568395580 6.941 \> 4 \*9 Li 0.99857653658676 0.37481195893141 0.49170111079789 6.941 \> 5 10 Li 0.99857653658676 0.87481195893141 0.49170111079789 6.941 \> 5 11 Li 0.24022903513897 0.11333069654118 0.62190968733058 6.941 \> 6 12 Li 0.24022903513897 0.61333069654118 0.62190968733058 6.941 \> 6 13 Li 0.75977096486103 0.38666930345882 0.37809031266942 6.941 \> 7 14 Li 0.75977096486103 0.88666930345882 0.37809031266942 6.941 \> 7 15 Li 0.00142346341324 0.12518804106859 0.50829888920211 6.941 \> 8 16 Li 0.00142346341324 0.62518804106859 0.50829888920211 6.941 \> 8 17 Li 0.75016996584866 0.13704705770248 0.37692431604421 6.941 \> 9 18 Li 0.75016996584866 0.63704705770248 0.37692431604421 6.941 \> 9 19 Li 0.00142346341324 0.37481195893141 0.00829888920211 6.941 \> 10 20 Li 0.00142346341324 0.87481195893141 0.00829888920211 6.941 \> 10 21 Li 0.74022903513897 0.13666930345882 0.12190968733058 6.941 \> 11 22 Li 0.74022903513897 0.63666930345882 0.12190968733058 6.941 \> 11 23 Li 0.74983003415134 0.38704705770248 0.12307568395580 6.941 \> 12 24 Li 0.74983003415134 0.88704705770248 0.12307568395580 6.941 \> 12 25 Li 0.00000000000000 0.38056797472783 0.25000000000000 6.941 \> 13 26 Li 0.00000000000000 0.88056797472783 0.25000000000000 6.941 \> 13 27 Li 0.99857653658676 0.12518804106859 0.99170111079789 6.941 \> 14 28 Li 0.99857653658676 0.62518804106859 0.99170111079789 6.941 \> 14 29 Li 0.75016996584866 0.36295294229752 0.87692431604420 6.941 \> 1 30 Li 0.75016996584866 0.86295294229752 0.87692431604420 6.941 \> 1 31 Li 0.50000000000000 0.36943202527217 0.75000000000000 6.941 \> 2 32 Li 0.50000000000000 0.86943202527217 0.75000000000000 6.941 \> 2 33 Li 0.75977096486103 0.11333069654118 0.87809031266942 6.941 \> 3 34 Li 0.75977096486103 0.61333069654118 0.87809031266942 6.941 \> 3 35 Li 0.74983003415134 0.11295294229752 0.62307568395580 6.941 \> 4 36 Li 0.74983003415134 0.61295294229752 0.62307568395580 6.941 \> 4 37 Li 0.49857653658676 0.12481195893141 0.49170111079789 6.941 \> 5 38 Li 0.49857653658676 0.62481195893141 0.49170111079789 6.941 \> 5 39 Li 0.74022903513897 0.36333069654118 0.62190968733058 6.941 \> 6 40 Li 0.74022903513897 0.86333069654118 0.62190968733058 6.941 \> 6 41 Li 0.25977096486103 0.13666930345882 0.37809031266942 6.941 \> 7 42 Li 0.25977096486103 0.63666930345882 0.37809031266942 6.941 \> 7 43 Li 0.50142346341324 0.37518804106859 0.50829888920211 6.941 \> 8 44 Li 0.50142346341324 0.87518804106859 0.50829888920211 6.941 \> 8 45 Li 0.25016996584866 0.38704705770248 0.37692431604421 6.941 \> 9 46 Li 0.25016996584866 0.88704705770248 0.37692431604421 6.941 \> 9 47 Li 0.50142346341324 0.12481195893141 0.00829888920211 6.941 \> 10 48 Li 0.50142346341324 0.62481195893141 0.00829888920211 6.941 \> 10 49 Li 0.24022903513897 0.38666930345882 0.12190968733058 6.941 \> 11 50 Li 0.24022903513897 0.88666930345882 0.12190968733058 6.941 \> 11 51 Li 0.24983003415134 0.13704705770248 0.12307568395580 6.941 \> 12 52 Li 0.24983003415134 0.63704705770248 0.12307568395580 6.941 \> 12 53 Li 0.50000000000000 0.13056797472783 0.25000000000000 6.941 \> 13 54 Li 0.50000000000000 0.63056797472783 0.25000000000000 6.941 \> 13 55 Li 0.49857653658676 0.37518804106859 0.99170111079789 6.941 \> 14 56 Li 0.49857653658676 0.87518804106859 0.99170111079789 6.941 \> 14 \*57 V 0.00000000000000 0.36965988601544 0.75000000000000 50.941 \> 15 58 V 0.00000000000000 0.86965988601544 0.75000000000000 50.941 \> 15 59 V 0.00000000000000 0.13034011398456 0.25000000000000 50.941 \> 16 60 V 0.00000000000000 0.63034011398456 0.25000000000000 50.941 \> 16 61 V 0.50000000000000 0.11965988601544 0.75000000000000 50.941 \> 15 62 V 0.50000000000000 0.61965988601544 0.75000000000000 50.941 \> 15 63 V 0.50000000000000 0.38034011398456 0.25000000000000 50.941 \> 16 64 V 0.50000000000000 0.88034011398456 0.25000000000000 50.941 \> 16 \*65 As 0.11703956171482 0.25828056370032 0.92385537083725 74.922 \> 17 66 As 0.11703956171482 0.75828056370032 0.92385537083725 74.922 \> 17 \*67 As 0.11752623641124 0.48084507996767 0.69368846485819 74.922 \> 18 68 As 0.11752623641124 0.98084507996767 0.69368846485819 74.922 \> 18 69 As 0.38247376358876 0.23084507996767 0.80631153514181 74.922 \> 19 70 As 0.38247376358876 0.73084507996767 0.80631153514181 74.922 \> 19 71 As 0.11703956171482 0.24171943629968 0.42385537083725 74.922 \> 20 72 As 0.11703956171482 0.74171943629968 0.42385537083725 74.922 \> 20 73 As 0.88296043828518 0.25828056370032 0.57614462916275 74.922 \> 21 74 As 0.88296043828518 0.75828056370032 0.57614462916275 74.922 \> 21 75 As 0.61752623641124 0.26915492003233 0.19368846485819 74.922 \> 22 76 As 0.61752623641124 0.76915492003233 0.19368846485819 74.922 \> 22 77 As 0.88247376358876 0.01915492003233 0.30631153514181 74.922 \> 23 78 As 0.88247376358876 0.51915492003233 0.30631153514181 74.922 \> 23 79 As 0.88296043828518 0.24171943629968 0.07614462916275 74.922 \> 24 80 As 0.88296043828518 0.74171943629968 0.07614462916275 74.922 \> 24 81 As 0.61703956171482 0.00828056370032 0.92385537083725 74.922 \> 17 82 As 0.61703956171482 0.50828056370032 0.92385537083725 74.922 \> 17 83 As 0.61752623641124 0.23084507996767 0.69368846485819 74.922 \> 18 84 As 0.61752623641124 0.73084507996767 0.69368846485819 74.922 \> 18 85 As 0.88247376358876 0.48084507996767 0.80631153514181 74.922 \> 19 86 As 0.88247376358876 0.98084507996767 0.80631153514181 74.922 \> 19 87 As 0.61703956171482 0.49171943629968 0.42385537083725 74.922 \> 20 88 As 0.61703956171482 0.99171943629968 0.42385537083725 74.922 \> 20 89 As 0.38296043828518 0.00828056370032 0.57614462916275 74.922 \> 21 90 As 0.38296043828518 0.50828056370032 0.57614462916275 74.922 \> 21 91 As 0.11752623641124 0.01915492003233 0.19368846485819 74.922 \> 22 92 As 0.11752623641124 0.51915492003233 0.19368846485819 74.922 \> 22 93 As 0.38247376358876 0.26915492003233 0.30631153514181 74.922 \> 23 94 As 0.38247376358876 0.76915492003233 0.30631153514181 74.922 \> 23 95 As 0.38296043828518 0.49171943629968 0.07614462916275 74.922 \> 24 96 As 0.38296043828518 0.99171943629968 0.07614462916275 74.922 \> 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy\_mlp\_eval\_fc2\_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7405056 0.0000000 -0.0336772 0.0000000 8.9581492 0.0000000 -0.0336730 0.0000000 9.6915351 -------------------------- Born effective charges -------------------------- 1 Li 1.4157311 0.1967248 0.3228066 -0.2876152 1.1649145 0.1078155 0.2844358 -0.4522583 1.0335809 2 Li -0.0417801 0.0000000 -0.0218027 0.0000000 1.2477416 0.0000000 -0.0004453 0.0000000 -0.0229699 3 Li 1.2483102 -0.2547913 0.2093041 -0.3713296 0.4161056 0.2474924 0.2223309 0.4565315 0.8330373 4 Li 1.4157311 -0.1967248 0.3228066 0.2876152 1.1649145 -0.1078155 0.2844358 0.4522583 1.0335809 5 Li 0.2656981 -0.0268681 -0.5328691 -0.3887129 0.7711286 -0.3548981 -0.5337887 -0.0550275 1.0481751 6 Li 1.2483102 0.2547913 0.2093041 0.3713296 0.4161056 -0.2474924 0.2223309 -0.4565315 0.8330373 7 Li 1.2483102 0.2547913 0.2093041 0.3713296 0.4161056 -0.2474924 0.2223309 -0.4565315 0.8330373 8 Li 0.2656981 -0.0268681 -0.5328691 -0.3887129 0.7711286 -0.3548981 -0.5337887 -0.0550275 1.0481751 9 Li 1.4157311 -0.1967248 0.3228066 0.2876152 1.1649145 -0.1078155 0.2844358 0.4522583 1.0335809 10 Li 0.2656981 0.0268681 -0.5328691 0.3887129 0.7711286 0.3548981 -0.5337887 0.0550275 1.0481751 11 Li 1.2483102 -0.2547913 0.2093041 -0.3713296 0.4161056 0.2474924 0.2223309 0.4565315 0.8330373 12 Li 1.4157311 0.1967248 0.3228066 -0.2876152 1.1649145 0.1078155 0.2844358 -0.4522583 1.0335809 13 Li -0.0417801 0.0000000 -0.0218027 0.0000000 1.2477416 0.0000000 -0.0004453 0.0000000 -0.0229699 14 Li 0.2656981 0.0268681 -0.5328691 0.3887129 0.7711286 0.3548981 -0.5337887 0.0550275 1.0481751 15 V 2.0539818 0.0000000 0.0468038 0.0000000 1.4588264 0.0000000 -0.0816975 0.0000000 1.9381137 16 V 2.0539818 0.0000000 0.0468038 0.0000000 1.4588264 0.0000000 -0.0816975 0.0000000 1.9381137 17 As -1.1928709 0.3560616 -0.5038755 0.5112454 -1.8325563 0.9757689 -0.5636132 1.1036308 -2.6840148 18 As -2.7429694 -1.0426039 0.4921333 -0.9997240 -1.8728764 0.4702968 0.6317066 0.4062523 -1.1883503 19 As -2.7429694 1.0426039 0.4921333 0.9997240 -1.8728764 -0.4702968 0.6317066 -0.4062523 -1.1883503 20 As -1.1928709 -0.3560616 -0.5038755 -0.5112454 -1.8325563 -0.9757689 -0.5636132 -1.1036308 -2.6840148 21 As -1.1928709 -0.3560616 -0.5038755 -0.5112454 -1.8325563 -0.9757689 -0.5636132 -1.1036308 -2.6840148 22 As -2.7429694 1.0426039 0.4921333 0.9997240 -1.8728764 -0.4702968 0.6317066 -0.4062523 -1.1883503 23 As -2.7429694 -1.0426039 0.4921333 -0.9997240 -1.8728764 0.4702968 0.6317066 0.4062523 -1.1883503 24 As -1.1928709 0.3560616 -0.5038755 0.5112454 -1.8325563 0.9757689 -0.5636132 1.1036308 -2.6840148 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12816/12816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected\_components. Rank of projector: 2708 Number of blocks in projector: 2708 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: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 237 eigenvectors found. (2) Block: 500 / 592 (2) 241 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 579 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh\_solver\_block: 2 / 6 --- Block\_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh\_solver\_block: 3 / 6 --- Block\_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh\_solver\_block: 4 / 6 --- Block\_size: 332 Use standard eigh solver. --- Eigsh\_solver\_block: 5 / 6 --- Block\_size: 332 Use standard eigh solver. --- Eigsh\_solver\_block: 6 / 6 --- Block\_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2708, 2654), data: False \|-- (332, 325), data: True \|-- (332, 325), data: True \|-- (332, 325), data: True \|-- (560, 550), data: False \|-- (560, 550), data: False \|-- (560, 16), data: (560, 26) @ (26, 16) \|-- (60, 54), data: True \|-- (250, 240), data: True \|-- (250, 240), data: True \|-- (560, 550), data: False \|-- (560, 550), data: False \|-- (560, 16), data: (560, 26) @ (26, 16) \|-- (60, 54), data: True \|-- (250, 240), data: True \|-- (250, 240), data: True \|-- (592, 579), data: False \|-- (592, 579), data: False \|-- (592, 15), data: (592, 28) @ (28, 15) \|-- (92, 86), data: True \|-- (250, 241), data: True \|-- (250, 237), data: True ----- Solver\_atoms: 1 -- 96 / 96 Time (Solver\_compr\_matrix\_reshape): 0.002 Solver\_block: 100 / 720 - Time: 0.711 Solver\_block: 200 / 720 - Time: 0.641 Solver\_block: 300 / 720 - Time: 0.638 Solver\_block: 400 / 720 - Time: 0.644 Solver\_block: 500 / 720 - Time: 0.639 Solver\_block: 600 / 720 - Time: 0.637 Solver\_block: 700 / 720 - Time: 0.638 Solver\_block: 720 / 720 - Time: 0.232 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.887 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12816/12816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected\_components. Rank of projector: 2708 Number of blocks in projector: 2708 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: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 237 eigenvectors found. (2) Block: 500 / 592 (2) 241 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 579 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh\_solver\_block: 2 / 6 --- Block\_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh\_solver\_block: 3 / 6 --- Block\_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 240 eigenvectors found. (2) Block: 500 / 560 (2) 240 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 550 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh\_solver\_block: 4 / 6 --- Block\_size: 332 Use standard eigh solver. --- Eigsh\_solver\_block: 5 / 6 --- Block\_size: 332 Use standard eigh solver. --- Eigsh\_solver\_block: 6 / 6 --- Block\_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2708, 2654), data: False \|-- (332, 325), data: True \|-- (332, 325), data: True \|-- (332, 325), data: True \|-- (560, 550), data: False \|-- (560, 550), data: False \|-- (560, 16), data: (560, 26) @ (26, 16) \|-- (60, 54), data: True \|-- (250, 240), data: True \|-- (250, 240), data: True \|-- (560, 550), data: False \|-- (560, 550), data: False \|-- (560, 16), data: (560, 26) @ (26, 16) \|-- (60, 54), data: True \|-- (250, 240), data: True \|-- (250, 240), data: True \|-- (592, 579), data: False \|-- (592, 579), data: False \|-- (592, 15), data: (592, 28) @ (28, 15) \|-- (92, 86), data: True \|-- (250, 241), data: True \|-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force\_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE\_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------\[time 2026-01-08 21:34:20\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\| ---------------------------- ------ calculate fc3 ------- ---------------------------- \_ \_\_\_\_\_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_\|\_\_\_ / \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \|\_ \\\| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\_\_) \| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_/\_\_\_\_/\| .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 3.23.0 -------------------------\[time 2026-01-08 21:34:20\]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py\_mlp\_eval\_fc3\_disp.yaml.xz". Supercell (dim): \[1 2 1\] Primitive matrix: \[ 0.5 0.5 -0. \] \[-0.5 0.5 0. \] \[0. 0. 1.\] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.598867355000014 -2.991295599999999 0.000000000000000 b 6.598867355000014 2.991295599999999 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): 1 Li 0.02426408125363 0.47607585044369 0.87692431604420 6.941 2 Li 0.76113594945567 0.23886405054433 0.75000000000000 6.941 3 Li 0.53310957177866 0.98643235794340 0.87809031266942 6.941 4 Li 0.52392414955631 0.97573591874637 0.62307568395580 6.941 5 Li 0.24895261872394 0.74820045444959 0.49170111079789 6.941 6 Li 0.01356764205660 0.46689042822134 0.62190968733058 6.941 7 Li 0.98643235794340 0.53310957177866 0.37809031266942 6.941 8 Li 0.75104738127606 0.25179954555041 0.50829888920211 6.941 9 Li 0.47607585044369 0.02426408125363 0.37692431604421 6.941 10 Li 0.25179954555041 0.75104738127606 0.00829888920211 6.941 11 Li 0.46689042822134 0.01356764205660 0.12190968733058 6.941 12 Li 0.97573591874637 0.52392414955631 0.12307568395580 6.941 13 Li 0.23886405054433 0.76113594945567 0.25000000000000 6.941 14 Li 0.74820045444959 0.24895261872394 0.99170111079789 6.941 15 V 0.26068022796912 0.73931977203088 0.75000000000000 50.941 16 V 0.73931977203088 0.26068022796912 0.25000000000000 50.941 17 As 0.60047843431419 0.63360068911546 0.92385537083725 74.922 18 As 0.15583607647591 0.07921639634657 0.69368846485819 74.922 19 As 0.92078360365343 0.84416392352409 0.80631153514181 74.922 20 As 0.63360068911546 0.60047843431419 0.42385537083725 74.922 21 As 0.36639931088454 0.39952156568582 0.57614462916275 74.922 22 As 0.07921639634657 0.15583607647591 0.19368846485819 74.922 23 As 0.84416392352409 0.92078360365343 0.30631153514181 74.922 24 As 0.39952156568581 0.36639931088454 0.07614462916275 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.197734710000027 0.000000000000000 0.000000000000000 b 0.000000000000000 11.965182399999998 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): 1 Li 0.25016996584866 0.11295294229752 0.87692431604420 6.941 \> 1 2 Li 0.25016996584866 0.61295294229752 0.87692431604420 6.941 \> 1 3 Li 0.00000000000000 0.11943202527217 0.75000000000000 6.941 \> 3 4 Li 0.00000000000000 0.61943202527217 0.75000000000000 6.941 \> 3 5 Li 0.25977096486103 0.36333069654118 0.87809031266942 6.941 \> 5 6 Li 0.25977096486103 0.86333069654118 0.87809031266942 6.941 \> 5 7 Li 0.24983003415134 0.36295294229752 0.62307568395580 6.941 \> 7 8 Li 0.24983003415134 0.86295294229752 0.62307568395580 6.941 \> 7 9 Li 0.99857653658676 0.37481195893141 0.49170111079789 6.941 \> 9 10 Li 0.99857653658676 0.87481195893141 0.49170111079789 6.941 \> 9 11 Li 0.24022903513897 0.11333069654118 0.62190968733058 6.941 \> 11 12 Li 0.24022903513897 0.61333069654118 0.62190968733058 6.941 \> 11 13 Li 0.75977096486103 0.38666930345882 0.37809031266942 6.941 \> 13 14 Li 0.75977096486103 0.88666930345882 0.37809031266942 6.941 \> 13 15 Li 0.00142346341324 0.12518804106859 0.50829888920211 6.941 \> 15 16 Li 0.00142346341324 0.62518804106859 0.50829888920211 6.941 \> 15 17 Li 0.75016996584866 0.13704705770248 0.37692431604421 6.941 \> 17 18 Li 0.75016996584866 0.63704705770248 0.37692431604421 6.941 \> 17 19 Li 0.00142346341324 0.37481195893141 0.00829888920211 6.941 \> 19 20 Li 0.00142346341324 0.87481195893141 0.00829888920211 6.941 \> 19 21 Li 0.74022903513897 0.13666930345882 0.12190968733058 6.941 \> 21 22 Li 0.74022903513897 0.63666930345882 0.12190968733058 6.941 \> 21 23 Li 0.74983003415134 0.38704705770248 0.12307568395580 6.941 \> 23 24 Li 0.74983003415134 0.88704705770248 0.12307568395580 6.941 \> 23 25 Li 0.00000000000000 0.38056797472783 0.25000000000000 6.941 \> 25 26 Li 0.00000000000000 0.88056797472783 0.25000000000000 6.941 \> 25 27 Li 0.99857653658676 0.12518804106859 0.99170111079789 6.941 \> 27 28 Li 0.99857653658676 0.62518804106859 0.99170111079789 6.941 \> 27 29 Li 0.75016996584866 0.36295294229752 0.87692431604420 6.941 \> 1 30 Li 0.75016996584866 0.86295294229752 0.87692431604420 6.941 \> 1 31 Li 0.50000000000000 0.36943202527217 0.75000000000000 6.941 \> 3 32 Li 0.50000000000000 0.86943202527217 0.75000000000000 6.941 \> 3 33 Li 0.75977096486103 0.11333069654118 0.87809031266942 6.941 \> 5 34 Li 0.75977096486103 0.61333069654118 0.87809031266942 6.941 \> 5 35 Li 0.74983003415134 0.11295294229752 0.62307568395580 6.941 \> 7 36 Li 0.74983003415134 0.61295294229752 0.62307568395580 6.941 \> 7 37 Li 0.49857653658676 0.12481195893141 0.49170111079789 6.941 \> 9 38 Li 0.49857653658676 0.62481195893141 0.49170111079789 6.941 \> 9 39 Li 0.74022903513897 0.36333069654118 0.62190968733058 6.941 \> 11 40 Li 0.74022903513897 0.86333069654118 0.62190968733058 6.941 \> 11 41 Li 0.25977096486103 0.13666930345882 0.37809031266942 6.941 \> 13 42 Li 0.25977096486103 0.63666930345882 0.37809031266942 6.941 \> 13 43 Li 0.50142346341324 0.37518804106859 0.50829888920211 6.941 \> 15 44 Li 0.50142346341324 0.87518804106859 0.50829888920211 6.941 \> 15 45 Li 0.25016996584866 0.38704705770248 0.37692431604421 6.941 \> 17 46 Li 0.25016996584866 0.88704705770248 0.37692431604421 6.941 \> 17 47 Li 0.50142346341324 0.12481195893141 0.00829888920211 6.941 \> 19 48 Li 0.50142346341324 0.62481195893141 0.00829888920211 6.941 \> 19 49 Li 0.24022903513897 0.38666930345882 0.12190968733058 6.941 \> 21 50 Li 0.24022903513897 0.88666930345882 0.12190968733058 6.941 \> 21 51 Li 0.24983003415134 0.13704705770248 0.12307568395580 6.941 \> 23 52 Li 0.24983003415134 0.63704705770248 0.12307568395580 6.941 \> 23 53 Li 0.50000000000000 0.13056797472783 0.25000000000000 6.941 \> 25 54 Li 0.50000000000000 0.63056797472783 0.25000000000000 6.941 \> 25 55 Li 0.49857653658676 0.37518804106859 0.99170111079789 6.941 \> 27 56 Li 0.49857653658676 0.87518804106859 0.99170111079789 6.941 \> 27 57 V 0.00000000000000 0.36965988601544 0.75000000000000 50.941 \> 57 58 V 0.00000000000000 0.86965988601544 0.75000000000000 50.941 \> 57 59 V 0.00000000000000 0.13034011398456 0.25000000000000 50.941 \> 59 60 V 0.00000000000000 0.63034011398456 0.25000000000000 50.941 \> 59 61 V 0.50000000000000 0.11965988601544 0.75000000000000 50.941 \> 57 62 V 0.50000000000000 0.61965988601544 0.75000000000000 50.941 \> 57 63 V 0.50000000000000 0.38034011398456 0.25000000000000 50.941 \> 59 64 V 0.50000000000000 0.88034011398456 0.25000000000000 50.941 \> 59 65 As 0.11703956171482 0.25828056370032 0.92385537083725 74.922 \> 65 66 As 0.11703956171482 0.75828056370032 0.92385537083725 74.922 \> 65 67 As 0.11752623641124 0.48084507996767 0.69368846485819 74.922 \> 67 68 As 0.11752623641124 0.98084507996767 0.69368846485819 74.922 \> 67 69 As 0.38247376358876 0.23084507996767 0.80631153514181 74.922 \> 69 70 As 0.38247376358876 0.73084507996767 0.80631153514181 74.922 \> 69 71 As 0.11703956171482 0.24171943629968 0.42385537083725 74.922 \> 71 72 As 0.11703956171482 0.74171943629968 0.42385537083725 74.922 \> 71 73 As 0.88296043828518 0.25828056370032 0.57614462916275 74.922 \> 73 74 As 0.88296043828518 0.75828056370032 0.57614462916275 74.922 \> 73 75 As 0.61752623641124 0.26915492003233 0.19368846485819 74.922 \> 75 76 As 0.61752623641124 0.76915492003233 0.19368846485819 74.922 \> 75 77 As 0.88247376358876 0.01915492003233 0.30631153514181 74.922 \> 77 78 As 0.88247376358876 0.51915492003233 0.30631153514181 74.922 \> 77 79 As 0.88296043828518 0.24171943629968 0.07614462916275 74.922 \> 79 80 As 0.88296043828518 0.74171943629968 0.07614462916275 74.922 \> 79 81 As 0.61703956171482 0.00828056370032 0.92385537083725 74.922 \> 65 82 As 0.61703956171482 0.50828056370032 0.92385537083725 74.922 \> 65 83 As 0.61752623641124 0.23084507996767 0.69368846485819 74.922 \> 67 84 As 0.61752623641124 0.73084507996767 0.69368846485819 74.922 \> 67 85 As 0.88247376358876 0.48084507996767 0.80631153514181 74.922 \> 69 86 As 0.88247376358876 0.98084507996767 0.80631153514181 74.922 \> 69 87 As 0.61703956171482 0.49171943629968 0.42385537083725 74.922 \> 71 88 As 0.61703956171482 0.99171943629968 0.42385537083725 74.922 \> 71 89 As 0.38296043828518 0.00828056370032 0.57614462916275 74.922 \> 73 90 As 0.38296043828518 0.50828056370032 0.57614462916275 74.922 \> 73 91 As 0.11752623641124 0.01915492003233 0.19368846485819 74.922 \> 75 92 As 0.11752623641124 0.51915492003233 0.19368846485819 74.922 \> 75 93 As 0.38247376358876 0.26915492003233 0.30631153514181 74.922 \> 77 94 As 0.38247376358876 0.76915492003233 0.30631153514181 74.922 \> 77 95 As 0.38296043828518 0.49171943629968 0.07614462916275 74.922 \> 79 96 As 0.38296043828518 0.99171943629968 0.07614462916275 74.922 \> 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py\_mlp\_eval\_fc3\_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.7405056 0.0000000 -0.0336772 0.0000000 8.9581492 0.0000000 -0.0336730 0.0000000 9.6915351 -------------------------- Born effective charges -------------------------- 1 Li 1.4157311 0.1967248 0.3228066 -0.2876152 1.1649145 0.1078155 0.2844358 -0.4522583 1.0335809 2 Li -0.0417801 0.0000000 -0.0218027 0.0000000 1.2477416 0.0000000 -0.0004453 0.0000000 -0.0229699 3 Li 1.2483102 -0.2547913 0.2093041 -0.3713296 0.4161056 0.2474924 0.2223309 0.4565315 0.8330373 4 Li 1.4157311 -0.1967248 0.3228066 0.2876152 1.1649145 -0.1078155 0.2844358 0.4522583 1.0335809 5 Li 0.2656981 -0.0268681 -0.5328691 -0.3887129 0.7711286 -0.3548981 -0.5337887 -0.0550275 1.0481751 6 Li 1.2483102 0.2547913 0.2093041 0.3713296 0.4161056 -0.2474924 0.2223309 -0.4565315 0.8330373 7 Li 1.2483102 0.2547913 0.2093041 0.3713296 0.4161056 -0.2474924 0.2223309 -0.4565315 0.8330373 8 Li 0.2656981 -0.0268681 -0.5328691 -0.3887129 0.7711286 -0.3548981 -0.5337887 -0.0550275 1.0481751 9 Li 1.4157311 -0.1967248 0.3228066 0.2876152 1.1649145 -0.1078155 0.2844358 0.4522583 1.0335809 10 Li 0.2656981 0.0268681 -0.5328691 0.3887129 0.7711286 0.3548981 -0.5337887 0.0550275 1.0481751 11 Li 1.2483102 -0.2547913 0.2093041 -0.3713296 0.4161056 0.2474924 0.2223309 0.4565315 0.8330373 12 Li 1.4157311 0.1967248 0.3228066 -0.2876152 1.1649145 0.1078155 0.2844358 -0.4522583 1.0335809 13 Li -0.0417801 0.0000000 -0.0218027 0.0000000 1.2477416 0.0000000 -0.0004453 0.0000000 -0.0229699 14 Li 0.2656981 0.0268681 -0.5328691 0.3887129 0.7711286 0.3548981 -0.5337887 0.0550275 1.0481751 15 V 2.0539818 0.0000000 0.0468038 0.0000000 1.4588264 0.0000000 -0.0816975 0.0000000 1.9381137 16 V 2.0539818 0.0000000 0.0468038 0.0000000 1.4588264 0.0000000 -0.0816975 0.0000000 1.9381137 17 As -1.1928709 0.3560616 -0.5038755 0.5112454 -1.8325563 0.9757689 -0.5636132 1.1036308 -2.6840148 18 As -2.7429694 -1.0426039 0.4921333 -0.9997240 -1.8728764 0.4702968 0.6317066 0.4062523 -1.1883503 19 As -2.7429694 1.0426039 0.4921333 0.9997240 -1.8728764 -0.4702968 0.6317066 -0.4062523 -1.1883503 20 As -1.1928709 -0.3560616 -0.5038755 -0.5112454 -1.8325563 -0.9757689 -0.5636132 -1.1036308 -2.6840148 21 As -1.1928709 -0.3560616 -0.5038755 -0.5112454 -1.8325563 -0.9757689 -0.5636132 -1.1036308 -2.6840148 22 As -2.7429694 1.0426039 0.4921333 0.9997240 -1.8728764 -0.4702968 0.6317066 -0.4062523 -1.1883503 23 As -2.7429694 -1.0426039 0.4921333 -0.9997240 -1.8728764 0.4702968 0.6317066 0.4062523 -1.1883503 24 As -1.1928709 0.3560616 -0.5038755 0.5112454 -1.8325563 0.9757689 -0.5636132 1.1036308 -2.6840148 ---------------------------------------------------------------------------- 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): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Computing fc3\[ 3, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Computing fc3\[ 5, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Computing fc3\[ 9, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Computing fc3\[ 57, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Computing fc3\[ 65, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Computing fc3\[ 67, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0045 0.0000 0.0089\] \[ 0.0045 0.0000 -0.0089\] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (yyy) 0.00000006 (yyy) 0.00000006 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------\[time 2026-01-08 21:34:44\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\| ---------------------------- ------ calculate LTC ------- ---------------------------- \_ \_\_\_\_\_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_\|\_\_\_ / \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \|\_ \\\| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\_\_) \| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_/\_\_\_\_/\| .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 3.23.0 -------------------------\[time 2026-01-08 21:34:45\]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): \[1 2 1\] Primitive matrix: \[ 0.5 0.5 -0. \] \[-0.5 0.5 0. \] \[0. 0. 1.\] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.598867355000014 -2.991295599999999 0.000000000000000 b 6.598867355000014 2.991295599999999 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): 1 Li 0.02426408125363 0.47607585044369 0.87692431604420 6.941 2 Li 0.76113594945567 0.23886405054433 0.75000000000000 6.941 3 Li 0.53310957177866 0.98643235794340 0.87809031266942 6.941 4 Li 0.52392414955631 0.97573591874637 0.62307568395580 6.941 5 Li 0.24895261872394 0.74820045444959 0.49170111079789 6.941 6 Li 0.01356764205660 0.46689042822134 0.62190968733058 6.941 7 Li 0.98643235794340 0.53310957177866 0.37809031266942 6.941 8 Li 0.75104738127606 0.25179954555041 0.50829888920211 6.941 9 Li 0.47607585044369 0.02426408125363 0.37692431604421 6.941 10 Li 0.25179954555041 0.75104738127606 0.00829888920211 6.941 11 Li 0.46689042822134 0.01356764205660 0.12190968733058 6.941 12 Li 0.97573591874637 0.52392414955631 0.12307568395580 6.941 13 Li 0.23886405054433 0.76113594945567 0.25000000000000 6.941 14 Li 0.74820045444959 0.24895261872394 0.99170111079789 6.941 15 V 0.26068022796912 0.73931977203088 0.75000000000000 50.941 16 V 0.73931977203088 0.26068022796912 0.25000000000000 50.941 17 As 0.60047843431419 0.63360068911546 0.92385537083725 74.922 18 As 0.15583607647591 0.07921639634657 0.69368846485819 74.922 19 As 0.92078360365343 0.84416392352409 0.80631153514181 74.922 20 As 0.63360068911546 0.60047843431419 0.42385537083725 74.922 21 As 0.36639931088454 0.39952156568582 0.57614462916275 74.922 22 As 0.07921639634657 0.15583607647591 0.19368846485819 74.922 23 As 0.84416392352409 0.92078360365343 0.30631153514181 74.922 24 As 0.39952156568581 0.36639931088454 0.07614462916275 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.197734710000027 0.000000000000000 0.000000000000000 b 0.000000000000000 11.965182399999998 0.000000000000000 c -5.322206572875360 0.000000000000000 10.576288800678691 Atomic positions (fractional): 1 Li 0.25016996584866 0.11295294229752 0.87692431604420 6.941 \> 1 2 Li 0.25016996584866 0.61295294229752 0.87692431604420 6.941 \> 1 3 Li 0.00000000000000 0.11943202527217 0.75000000000000 6.941 \> 3 4 Li 0.00000000000000 0.61943202527217 0.75000000000000 6.941 \> 3 5 Li 0.25977096486103 0.36333069654118 0.87809031266942 6.941 \> 5 6 Li 0.25977096486103 0.86333069654118 0.87809031266942 6.941 \> 5 7 Li 0.24983003415134 0.36295294229752 0.62307568395580 6.941 \> 7 8 Li 0.24983003415134 0.86295294229752 0.62307568395580 6.941 \> 7 9 Li 0.99857653658676 0.37481195893141 0.49170111079789 6.941 \> 9 10 Li 0.99857653658676 0.87481195893141 0.49170111079789 6.941 \> 9 11 Li 0.24022903513897 0.11333069654118 0.62190968733058 6.941 \> 11 12 Li 0.24022903513897 0.61333069654118 0.62190968733058 6.941 \> 11 13 Li 0.75977096486103 0.38666930345882 0.37809031266942 6.941 \> 13 14 Li 0.75977096486103 0.88666930345882 0.37809031266942 6.941 \> 13 15 Li 0.00142346341324 0.12518804106859 0.50829888920211 6.941 \> 15 16 Li 0.00142346341324 0.62518804106859 0.50829888920211 6.941 \> 15 17 Li 0.75016996584866 0.13704705770248 0.37692431604421 6.941 \> 17 18 Li 0.75016996584866 0.63704705770248 0.37692431604421 6.941 \> 17 19 Li 0.00142346341324 0.37481195893141 0.00829888920211 6.941 \> 19 20 Li 0.00142346341324 0.87481195893141 0.00829888920211 6.941 \> 19 21 Li 0.74022903513897 0.13666930345882 0.12190968733058 6.941 \> 21 22 Li 0.74022903513897 0.63666930345882 0.12190968733058 6.941 \> 21 23 Li 0.74983003415134 0.38704705770248 0.12307568395580 6.941 \> 23 24 Li 0.74983003415134 0.88704705770248 0.12307568395580 6.941 \> 23 25 Li 0.00000000000000 0.38056797472783 0.25000000000000 6.941 \> 25 26 Li 0.00000000000000 0.88056797472783 0.25000000000000 6.941 \> 25 27 Li 0.99857653658676 0.12518804106859 0.99170111079789 6.941 \> 27 28 Li 0.99857653658676 0.62518804106859 0.99170111079789 6.941 \> 27 29 Li 0.75016996584866 0.36295294229752 0.87692431604420 6.941 \> 1 30 Li 0.75016996584866 0.86295294229752 0.87692431604420 6.941 \> 1 31 Li 0.50000000000000 0.36943202527217 0.75000000000000 6.941 \> 3 32 Li 0.50000000000000 0.86943202527217 0.75000000000000 6.941 \> 3 33 Li 0.75977096486103 0.11333069654118 0.87809031266942 6.941 \> 5 34 Li 0.75977096486103 0.61333069654118 0.87809031266942 6.941 \> 5 35 Li 0.74983003415134 0.11295294229752 0.62307568395580 6.941 \> 7 36 Li 0.74983003415134 0.61295294229752 0.62307568395580 6.941 \> 7 37 Li 0.49857653658676 0.12481195893141 0.49170111079789 6.941 \> 9 38 Li 0.49857653658676 0.62481195893141 0.49170111079789 6.941 \> 9 39 Li 0.74022903513897 0.36333069654118 0.62190968733058 6.941 \> 11 40 Li 0.74022903513897 0.86333069654118 0.62190968733058 6.941 \> 11 41 Li 0.25977096486103 0.13666930345882 0.37809031266942 6.941 \> 13 42 Li 0.25977096486103 0.63666930345882 0.37809031266942 6.941 \> 13 43 Li 0.50142346341324 0.37518804106859 0.50829888920211 6.941 \> 15 44 Li 0.50142346341324 0.87518804106859 0.50829888920211 6.941 \> 15 45 Li 0.25016996584866 0.38704705770248 0.37692431604421 6.941 \> 17 46 Li 0.25016996584866 0.88704705770248 0.37692431604421 6.941 \> 17 47 Li 0.50142346341324 0.12481195893141 0.00829888920211 6.941 \> 19 48 Li 0.50142346341324 0.62481195893141 0.00829888920211 6.941 \> 19 49 Li 0.24022903513897 0.38666930345882 0.12190968733058 6.941 \> 21 50 Li 0.24022903513897 0.88666930345882 0.12190968733058 6.941 \> 21 51 Li 0.24983003415134 0.13704705770248 0.12307568395580 6.941 \> 23 52 Li 0.24983003415134 0.63704705770248 0.12307568395580 6.941 \> 23 53 Li 0.50000000000000 0.13056797472783 0.25000000000000 6.941 \> 25 54 Li 0.50000000000000 0.63056797472783 0.25000000000000 6.941 \> 25 55 Li 0.49857653658676 0.37518804106859 0.99170111079789 6.941 \> 27 56 Li 0.49857653658676 0.87518804106859 0.99170111079789 6.941 \> 27 57 V 0.00000000000000 0.36965988601544 0.75000000000000 50.941 \> 57 58 V 0.00000000000000 0.86965988601544 0.75000000000000 50.941 \> 57 59 V 0.00000000000000 0.13034011398456 0.25000000000000 50.941 \> 59 60 V 0.00000000000000 0.63034011398456 0.25000000000000 50.941 \> 59 61 V 0.50000000000000 0.11965988601544 0.75000000000000 50.941 \> 57 62 V 0.50000000000000 0.61965988601544 0.75000000000000 50.941 \> 57 63 V 0.50000000000000 0.38034011398456 0.25000000000000 50.941 \> 59 64 V 0.50000000000000 0.88034011398456 0.25000000000000 50.941 \> 59 65 As 0.11703956171482 0.25828056370032 0.92385537083725 74.922 \> 65 66 As 0.11703956171482 0.75828056370032 0.92385537083725 74.922 \> 65 67 As 0.11752623641124 0.48084507996767 0.69368846485819 74.922 \> 67 68 As 0.11752623641124 0.98084507996767 0.69368846485819 74.922 \> 67 69 As 0.38247376358876 0.23084507996767 0.80631153514181 74.922 \> 69 70 As 0.38247376358876 0.73084507996767 0.80631153514181 74.922 \> 69 71 As 0.11703956171482 0.24171943629968 0.42385537083725 74.922 \> 71 72 As 0.11703956171482 0.74171943629968 0.42385537083725 74.922 \> 71 73 As 0.88296043828518 0.25828056370032 0.57614462916275 74.922 \> 73 74 As 0.88296043828518 0.75828056370032 0.57614462916275 74.922 \> 73 75 As 0.61752623641124 0.26915492003233 0.19368846485819 74.922 \> 75 76 As 0.61752623641124 0.76915492003233 0.19368846485819 74.922 \> 75 77 As 0.88247376358876 0.01915492003233 0.30631153514181 74.922 \> 77 78 As 0.88247376358876 0.51915492003233 0.30631153514181 74.922 \> 77 79 As 0.88296043828518 0.24171943629968 0.07614462916275 74.922 \> 79 80 As 0.88296043828518 0.74171943629968 0.07614462916275 74.922 \> 79 81 As 0.61703956171482 0.00828056370032 0.92385537083725 74.922 \> 65 82 As 0.61703956171482 0.50828056370032 0.92385537083725 74.922 \> 65 83 As 0.61752623641124 0.23084507996767 0.69368846485819 74.922 \> 67 84 As 0.61752623641124 0.73084507996767 0.69368846485819 74.922 \> 67 85 As 0.88247376358876 0.48084507996767 0.80631153514181 74.922 \> 69 86 As 0.88247376358876 0.98084507996767 0.80631153514181 74.922 \> 69 87 As 0.61703956171482 0.49171943629968 0.42385537083725 74.922 \> 71 88 As 0.61703956171482 0.99171943629968 0.42385537083725 74.922 \> 71 89 As 0.38296043828518 0.00828056370032 0.57614462916275 74.922 \> 73 90 As 0.38296043828518 0.50828056370032 0.57614462916275 74.922 \> 73 91 As 0.11752623641124 0.01915492003233 0.19368846485819 74.922 \> 75 92 As 0.11752623641124 0.51915492003233 0.19368846485819 74.922 \> 75 93 As 0.38247376358876 0.26915492003233 0.30631153514181 74.922 \> 77 94 As 0.38247376358876 0.76915492003233 0.30631153514181 74.922 \> 77 95 As 0.38296043828518 0.49171943629968 0.07614462916275 74.922 \> 79 96 As 0.38296043828518 0.99171943629968 0.07614462916275 74.922 \> 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.7405056 0.0000000 -0.0336772 0.0000000 8.9581492 0.0000000 -0.0336730 0.0000000 9.6915351 -------------------------- Born effective charges -------------------------- 1 Li 1.4157311 0.1967248 0.3228066 -0.2876152 1.1649145 0.1078155 0.2844358 -0.4522583 1.0335809 2 Li -0.0417801 0.0000000 -0.0218027 0.0000000 1.2477416 0.0000000 -0.0004453 0.0000000 -0.0229699 3 Li 1.2483102 -0.2547913 0.2093041 -0.3713296 0.4161056 0.2474924 0.2223309 0.4565315 0.8330373 4 Li 1.4157311 -0.1967248 0.3228066 0.2876152 1.1649145 -0.1078155 0.2844358 0.4522583 1.0335809 5 Li 0.2656981 -0.0268681 -0.5328691 -0.3887129 0.7711286 -0.3548981 -0.5337887 -0.0550275 1.0481751 6 Li 1.2483102 0.2547913 0.2093041 0.3713296 0.4161056 -0.2474924 0.2223309 -0.4565315 0.8330373 7 Li 1.2483102 0.2547913 0.2093041 0.3713296 0.4161056 -0.2474924 0.2223309 -0.4565315 0.8330373 8 Li 0.2656981 -0.0268681 -0.5328691 -0.3887129 0.7711286 -0.3548981 -0.5337887 -0.0550275 1.0481751 9 Li 1.4157311 -0.1967248 0.3228066 0.2876152 1.1649145 -0.1078155 0.2844358 0.4522583 1.0335809 10 Li 0.2656981 0.0268681 -0.5328691 0.3887129 0.7711286 0.3548981 -0.5337887 0.0550275 1.0481751 11 Li 1.2483102 -0.2547913 0.2093041 -0.3713296 0.4161056 0.2474924 0.2223309 0.4565315 0.8330373 12 Li 1.4157311 0.1967248 0.3228066 -0.2876152 1.1649145 0.1078155 0.2844358 -0.4522583 1.0335809 13 Li -0.0417801 0.0000000 -0.0218027 0.0000000 1.2477416 0.0000000 -0.0004453 0.0000000 -0.0229699 14 Li 0.2656981 0.0268681 -0.5328691 0.3887129 0.7711286 0.3548981 -0.5337887 0.0550275 1.0481751 15 V 2.0539818 0.0000000 0.0468038 0.0000000 1.4588264 0.0000000 -0.0816975 0.0000000 1.9381137 16 V 2.0539818 0.0000000 0.0468038 0.0000000 1.4588264 0.0000000 -0.0816975 0.0000000 1.9381137 17 As -1.1928709 0.3560616 -0.5038755 0.5112454 -1.8325563 0.9757689 -0.5636132 1.1036308 -2.6840148 18 As -2.7429694 -1.0426039 0.4921333 -0.9997240 -1.8728764 0.4702968 0.6317066 0.4062523 -1.1883503 19 As -2.7429694 1.0426039 0.4921333 0.9997240 -1.8728764 -0.4702968 0.6317066 -0.4062523 -1.1883503 20 As -1.1928709 -0.3560616 -0.5038755 -0.5112454 -1.8325563 -0.9757689 -0.5636132 -1.1036308 -2.6840148 21 As -1.1928709 -0.3560616 -0.5038755 -0.5112454 -1.8325563 -0.9757689 -0.5636132 -1.1036308 -2.6840148 22 As -2.7429694 1.0426039 0.4921333 0.9997240 -1.8728764 -0.4702968 0.6317066 -0.4062523 -1.1883503 23 As -2.7429694 -1.0426039 0.4921333 -0.9997240 -1.8728764 0.4702968 0.6317066 0.4062523 -1.1883503 24 As -1.1928709 0.3560616 -0.5038755 0.5112454 -1.8325563 0.9757689 -0.5636132 1.1036308 -2.6840148 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (yyy) 0.00000006 (yyy) 0.00000006 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... \[ 9 9 5 \] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 283, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.985 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.614 ( 11.811 -26.002 5.229) 29.034 0.636 ( 14.449 -24.868 8.887) 30.103 1.021 ( 16.652 -44.033 7.628) 47.690 2.224 ( 3.639 -2.373 -6.580) 7.885 2.331 ( 1.589 -5.905 -6.131) 8.659 2.614 ( -1.294 -1.977 4.673) 5.237 2.718 ( 0.576 7.842 3.698) 8.689 3.052 ( -4.004 1.445 -0.662) 4.308 3.122 ( -1.831 2.323 -0.658) 3.030 3.194 ( -2.906 6.813 0.174) 7.409 3.262 ( -0.259 0.570 -1.177) 1.333 3.421 ( -1.106 3.737 -3.091) 4.975 3.474 ( 2.233 1.408 3.225) 4.167 3.804 ( 0.410 5.030 -1.987) 5.423 3.966 ( -2.580 1.981 0.115) 3.255 4.013 ( 2.591 0.832 1.161) 2.958 4.085 ( 0.474 1.935 -0.788) 2.143 4.142 ( 0.626 -0.524 -3.468) 3.563 4.161 ( -2.159 2.429 1.912) 3.770 4.175 ( 0.702 -1.157 1.136) 1.767 4.253 ( -0.353 -3.043 0.240) 3.073 4.385 ( -1.168 -3.774 -0.761) 4.023 6.360 ( -0.020 1.478 0.295) 1.508 6.467 ( -0.637 0.732 -0.930) 1.344 6.858 ( -0.866 -5.867 -0.191) 5.934 6.949 ( 0.994 -7.492 -0.166) 7.559 6.999 ( 2.666 -7.076 -0.538) 7.581 7.464 ( -0.510 -6.417 -4.208) 7.690 7.486 ( -2.652 -11.396 -1.112) 11.753 7.546 ( 3.055 -0.997 3.112) 4.474 7.631 ( 1.402 -4.457 2.160) 5.147 7.930 ( -7.638 -1.328 -5.139) 9.301 8.128 ( 0.424 -5.329 2.292) 5.816 8.319 ( 0.431 -0.434 1.671) 1.780 8.337 ( 3.633 -6.767 2.246) 8.002 8.398 ( 4.916 -1.993 2.467) 5.850 8.657 ( -8.907 -0.258 4.684) 10.067 8.719 ( 5.176 -2.010 -6.437) 8.501 8.768 ( -9.333 -0.427 0.970) 9.393 8.909 ( 4.555 -0.798 -3.654) 5.894 8.974 ( 0.592 -3.900 -1.127) 4.102 9.067 ( -2.026 -5.028 -2.035) 5.790 9.092 ( 5.437 0.361 -1.751) 5.723 9.291 ( -11.852 -4.815 6.178) 14.206 9.440 ( -4.991 -2.206 -1.033) 5.553 9.656 ( -4.147 1.630 1.761) 4.791 9.688 ( 5.537 7.327 -6.543) 11.276 9.729 ( -0.374 2.268 -2.453) 3.361 9.862 ( 5.970 1.979 -3.450) 7.173 9.900 ( 11.248 3.964 13.536) 18.041 10.093 ( -1.299 -1.348 -1.297) 2.277 10.160 ( 0.373 4.472 2.703) 5.238 10.368 ( 1.171 2.853 -1.573) 3.462 10.411 ( 1.030 -0.511 2.206) 2.488 10.473 ( -4.396 -2.999 -2.686) 5.961 10.763 ( 6.127 2.434 4.238) 7.837 10.869 ( -1.703 2.785 -1.106) 3.447 10.991 ( -0.271 2.688 1.030) 2.891 11.053 ( -4.830 1.241 -2.787) 5.713 11.141 ( -0.597 -0.099 0.446) 0.752 11.169 ( 4.989 3.534 1.644) 6.331 11.325 ( 0.286 2.872 -1.000) 3.054 11.402 ( -1.554 1.379 -1.514) 2.571 11.697 ( -2.824 5.461 1.342) 6.293 11.763 ( 0.650 2.522 -6.834) 7.313 11.851 ( 3.122 0.299 1.442) 3.452 11.885 ( -0.700 -0.545 0.705) 1.133 11.965 ( 0.228 -0.780 4.188) 4.266 12.344 ( 0.667 0.543 0.994) 1.315 12.446 ( 5.145 4.936 1.289) 7.246 12.781 ( 0.622 2.841 0.414) 2.937 12.959 ( -4.017 1.594 -2.165) 4.834 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.200 ( 10.689 -24.378 4.991) 27.083 1.230 ( 12.480 -22.823 7.836) 27.166 1.948 ( 13.692 -37.795 6.242) 40.681 2.298 ( 5.570 -4.442 -7.062) 10.031 2.449 ( 3.935 -7.138 -11.950) 14.465 2.616 ( 0.871 4.642 6.638) 8.147 2.670 ( -2.166 -3.145 5.134) 6.399 2.955 ( -8.271 4.946 0.129) 9.638 2.980 ( -3.398 7.620 0.197) 8.346 3.084 ( 0.236 3.411 -0.461) 3.450 3.174 ( 0.015 7.175 -3.706) 8.075 3.291 ( -2.667 6.960 -0.666) 7.484 3.488 ( 2.281 1.616 2.864) 4.002 3.685 ( 0.442 7.248 -0.701) 7.296 3.853 ( -2.629 5.291 -1.083) 6.007 3.993 ( -1.143 7.953 -0.307) 8.040 4.008 ( -0.872 2.478 1.034) 2.823 4.126 ( 2.497 -3.133 -4.762) 6.223 4.196 ( -0.313 -3.327 -1.923) 3.855 4.230 ( -0.266 -2.179 3.714) 4.314 4.313 ( -0.820 -3.400 0.037) 3.497 4.423 ( -0.686 -1.336 -0.186) 1.513 6.341 ( 0.666 1.001 1.383) 1.833 6.442 ( -1.161 0.134 -2.534) 2.791 6.983 ( -1.033 -7.716 -0.070) 7.785 7.079 ( 3.073 -4.396 -0.769) 5.419 7.239 ( 2.304 -14.283 1.011) 14.503 7.598 ( -1.300 -11.464 -2.635) 11.835 7.642 ( 1.900 -5.285 2.635) 6.204 7.700 ( -0.836 -10.700 -3.744) 11.367 7.794 ( 0.490 -11.315 4.307) 12.117 7.937 ( -4.722 -9.065 -2.918) 10.629 8.259 ( 1.239 -5.243 1.643) 5.632 8.360 ( 0.658 -3.818 1.192) 4.054 8.475 ( -1.534 -6.652 -0.872) 6.883 8.533 ( 4.384 -5.692 1.899) 7.431 8.596 ( -10.309 -1.676 1.532) 10.556 8.730 ( -4.843 -2.970 -0.113) 5.682 8.796 ( 2.408 -4.267 -3.246) 5.878 8.960 ( 2.242 -3.237 -4.773) 6.187 9.045 ( 0.811 -1.907 2.794) 3.478 9.103 ( 2.508 0.446 0.749) 2.656 9.159 ( 1.079 -4.324 -2.787) 5.256 9.312 ( -6.275 -3.069 4.777) 8.463 9.448 ( -2.544 -1.427 -0.912) 3.056 9.493 ( -4.897 8.442 1.937) 9.949 9.630 ( 4.932 4.080 -3.263) 7.185 9.667 ( -2.679 3.376 0.978) 4.419 9.825 ( 6.713 4.867 -0.174) 8.293 9.983 ( 9.327 2.612 6.189) 11.495 10.062 ( -0.294 4.423 -0.397) 4.450 10.101 ( -2.325 0.723 -0.254) 2.448 10.319 ( 1.751 2.595 -1.809) 3.616 10.433 ( -6.032 1.343 -5.331) 8.161 10.457 ( 2.503 -0.898 4.383) 5.126 10.763 ( 3.454 4.025 3.107) 6.147 10.793 ( -1.544 2.851 0.249) 3.252 10.917 ( 0.376 5.255 0.996) 5.362 11.003 ( 0.376 1.375 -2.698) 3.052 11.071 ( -2.951 5.302 1.742) 6.313 11.158 ( 1.461 0.604 -0.785) 1.765 11.277 ( -0.153 1.992 -3.162) 3.740 11.335 ( -3.037 2.944 1.821) 4.605 11.541 ( 0.865 9.158 -1.833) 9.380 11.727 ( 1.371 -0.162 -3.658) 3.909 11.865 ( 1.930 0.466 -0.884) 2.173 11.904 ( -0.909 -1.945 0.812) 2.296 12.000 ( 0.921 -0.170 6.046) 6.118 12.339 ( 1.480 1.533 0.582) 2.208 12.383 ( -0.354 3.933 -1.371) 4.180 12.716 ( 0.880 4.980 0.803) 5.120 12.858 ( -2.564 5.183 -1.409) 5.952 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.733 ( 9.068 -21.623 4.429) 23.862 1.752 ( 9.734 -19.895 6.421) 23.061 2.380 ( 3.877 -2.778 -2.834) 5.548 2.499 ( 3.603 -0.821 -6.437) 7.422 2.617 ( -0.438 -6.905 1.997) 7.201 2.671 ( 2.532 -6.969 1.849) 7.642 2.738 ( -1.012 -5.596 -1.693) 5.933 2.793 ( 1.015 -5.331 1.773) 5.709 2.866 ( -6.292 1.592 -1.760) 6.725 2.972 ( 1.250 10.404 0.655) 10.499 3.044 ( -0.495 4.361 -1.044) 4.512 3.141 ( 0.112 5.412 -0.705) 5.459 3.450 ( 1.350 5.421 2.092) 5.965 3.564 ( -0.787 5.041 2.164) 5.542 3.740 ( -2.634 4.123 0.312) 4.902 3.839 ( -0.290 6.922 -1.024) 7.003 3.963 ( 0.180 2.096 1.681) 2.693 4.142 ( -0.695 0.109 -5.711) 5.754 4.239 ( -0.585 -2.282 -1.848) 2.994 4.286 ( -0.050 -2.393 0.106) 2.396 4.360 ( -1.307 -2.464 1.206) 3.039 4.428 ( 0.329 0.439 0.522) 0.757 6.346 ( 1.315 0.083 1.353) 1.889 6.424 ( -1.632 -0.457 -2.578) 3.085 7.102 ( -2.210 -6.198 -0.323) 6.588 7.152 ( 4.322 -0.575 -0.189) 4.365 7.496 ( 4.584 -7.789 3.276) 9.613 7.700 ( -3.943 -4.190 -5.001) 7.623 7.847 ( -0.386 -13.200 -1.431) 13.283 7.934 ( 1.149 -15.994 2.223) 16.188 8.036 ( -0.507 -12.764 3.525) 13.252 8.149 ( -2.499 -14.158 0.904) 14.405 8.329 ( 0.814 -3.557 -2.383) 4.358 8.457 ( -0.508 -4.678 -1.701) 5.004 8.561 ( -6.226 -2.591 0.105) 6.744 8.595 ( -4.786 -7.944 0.521) 9.289 8.681 ( 2.398 -9.163 0.066) 9.472 8.810 ( 0.943 -4.301 0.340) 4.417 8.872 ( 0.608 -4.146 -2.979) 5.141 8.997 ( -1.371 -0.179 -2.563) 2.912 9.039 ( -1.436 2.254 2.654) 3.767 9.146 ( 6.692 1.954 1.600) 7.153 9.171 ( -5.819 1.124 -1.577) 6.133 9.250 ( -2.071 10.100 0.783) 10.339 9.347 ( 0.760 -0.655 4.492) 4.603 9.470 ( 0.972 0.698 0.349) 1.247 9.561 ( 1.842 5.506 -0.657) 5.843 9.637 ( 0.063 -2.525 4.734) 5.366 9.810 ( 5.615 4.192 0.018) 7.007 9.950 ( 2.377 7.100 1.949) 7.737 10.003 ( 0.095 0.900 -7.670) 7.723 10.063 ( 0.180 1.545 4.383) 4.651 10.266 ( -2.899 4.123 -4.615) 6.834 10.287 ( -1.791 5.763 1.140) 6.141 10.529 ( -0.068 -3.824 2.034) 4.331 10.718 ( -1.759 5.672 -0.519) 5.961 10.722 ( 3.284 5.378 -0.330) 6.310 10.800 ( 1.700 3.367 -0.597) 3.819 10.975 ( -0.324 2.769 1.305) 3.078 11.010 ( -0.596 -0.009 2.842) 2.903 11.141 ( -1.575 0.916 -6.428) 6.681 11.203 ( 0.328 2.443 1.324) 2.798 11.297 ( -2.674 0.649 3.448) 4.411 11.387 ( 1.464 6.742 -3.409) 7.695 11.752 ( 4.158 -0.794 -1.418) 4.465 11.867 ( 0.473 -0.134 -1.433) 1.515 11.947 ( -0.494 -2.774 0.522) 2.865 12.036 ( 0.232 -0.532 5.342) 5.373 12.290 ( -2.031 3.269 -2.529) 4.605 12.315 ( 1.109 2.700 0.177) 2.924 12.629 ( 0.828 5.066 0.929) 5.217 12.726 ( -2.104 5.767 -1.161) 6.248 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.175 ( 6.189 -16.227 2.577) 17.557 2.177 ( 6.725 -14.973 5.054) 17.174 2.414 ( 1.675 0.622 -0.499) 1.855 2.482 ( -3.212 3.684 -0.427) 4.906 2.518 ( -1.650 6.264 -1.657) 6.686 2.638 ( -3.124 5.882 -2.266) 7.035 2.681 ( -2.040 4.300 -2.562) 5.405 2.843 ( 0.521 -2.356 -1.854) 3.043 2.862 ( 1.438 0.147 -3.360) 3.658 2.947 ( -2.849 1.799 4.798) 5.863 3.099 ( 1.773 -1.206 -2.239) 3.100 3.134 ( 2.227 -3.735 1.588) 4.630 3.420 ( -1.442 -4.502 -0.087) 4.728 3.493 ( 2.495 5.212 3.592) 6.804 3.667 ( -0.007 2.327 1.824) 2.956 3.741 ( -0.882 2.434 -1.674) 3.083 3.963 ( 2.229 -0.115 2.581) 3.412 4.071 ( -3.109 2.503 -4.144) 5.754 4.266 ( -0.305 -1.842 -1.126) 2.180 4.297 ( -0.331 0.476 -0.898) 1.069 4.397 ( -1.076 -1.927 1.344) 2.584 4.421 ( 1.008 1.102 -0.093) 1.496 6.368 ( 1.419 -0.438 0.746) 1.662 6.405 ( -1.564 0.087 -1.303) 2.037 7.166 ( -2.907 -3.313 -0.662) 4.457 7.180 ( 3.721 1.245 0.527) 3.959 7.636 ( 5.311 -1.287 6.129) 8.211 7.697 ( -4.349 -2.001 -6.879) 8.381 8.018 ( -0.723 -5.645 -0.238) 5.696 8.129 ( -1.032 -0.555 1.540) 1.935 8.313 ( 0.974 -15.678 1.618) 15.791 8.418 ( -2.307 -13.880 3.714) 14.552 8.482 ( 1.751 -10.784 -5.848) 12.392 8.520 ( -1.413 -3.524 -0.587) 3.842 8.538 ( -1.249 -3.943 -0.545) 4.172 8.691 ( -0.673 0.593 -0.215) 0.923 8.753 ( 1.200 10.441 -2.341) 10.768 8.836 ( -1.767 7.030 0.017) 7.249 8.906 ( 1.692 -0.578 1.118) 2.109 8.921 ( -2.848 -1.270 3.081) 4.384 8.982 ( 1.223 0.806 0.234) 1.483 9.053 ( -3.819 2.661 -0.475) 4.678 9.110 ( 0.513 0.160 -0.599) 0.804 9.204 ( 1.402 0.360 -1.715) 2.244 9.412 ( 5.711 0.279 4.659) 7.376 9.447 ( -3.452 -0.338 1.411) 3.744 9.546 ( 2.103 -0.866 -0.073) 2.275 9.704 ( 0.135 -2.294 1.450) 2.717 9.761 ( 3.791 4.103 0.670) 5.626 9.804 ( -2.329 6.934 -1.516) 7.470 9.942 ( -1.068 0.340 -6.889) 6.980 10.098 ( -3.501 1.602 2.043) 4.358 10.179 ( 3.544 -2.094 4.574) 6.154 10.213 ( 1.451 2.978 0.207) 3.319 10.513 ( -4.657 6.681 -4.658) 9.382 10.594 ( 0.635 -1.007 0.670) 1.366 10.697 ( 1.206 0.628 -0.958) 1.664 10.819 ( 1.525 -1.062 0.818) 2.031 10.944 ( 0.819 1.377 1.595) 2.261 10.996 ( -2.565 1.525 3.367) 4.499 11.078 ( 0.644 0.476 -6.013) 6.066 11.227 ( 2.519 -0.582 3.363) 4.242 11.272 ( -2.580 0.444 -0.469) 2.660 11.299 ( 0.023 2.103 -1.181) 2.412 11.794 ( 3.264 0.048 0.217) 3.272 11.864 ( -0.752 -0.497 -1.428) 1.689 11.989 ( -0.114 -1.369 0.638) 1.515 12.066 ( -0.439 -0.745 2.048) 2.223 12.225 ( -1.586 0.524 -1.352) 2.149 12.269 ( 0.918 2.672 -0.123) 2.828 12.572 ( 0.796 1.774 0.656) 2.052 12.620 ( -1.341 3.029 -0.729) 3.392 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.533 ( 24.922 -0.000 12.763) 28.000 0.551 ( 25.901 -0.000 12.215) 28.637 0.933 ( 43.191 -0.000 21.485) 48.240 2.198 ( 6.377 -0.000 -13.695) 15.107 2.257 ( 3.318 -0.000 -10.850) 11.346 2.615 ( -1.321 0.000 9.164) 9.259 2.825 ( -0.642 0.000 5.655) 5.692 2.999 ( -7.566 0.000 -2.117) 7.857 3.107 ( -4.455 0.000 -2.195) 4.966 3.234 ( -5.780 0.000 1.929) 6.093 3.253 ( 1.903 -0.000 -1.634) 2.508 3.425 ( -1.136 0.000 -4.161) 4.313 3.525 ( 2.447 -0.000 2.192) 3.285 3.847 ( 0.564 -0.000 -1.953) 2.033 3.987 ( 1.144 -0.000 1.521) 1.903 4.064 ( -0.115 0.000 -1.128) 1.134 4.087 ( -1.135 0.000 2.290) 2.556 4.124 ( 0.439 -0.000 -0.931) 1.029 4.139 ( -1.152 0.000 -1.101) 1.594 4.218 ( -0.644 0.000 0.940) 1.139 4.256 ( 0.927 -0.000 -2.067) 2.265 4.277 ( -1.200 0.000 0.338) 1.247 6.377 ( 0.314 -0.000 0.082) 0.325 6.464 ( -1.426 0.000 -0.883) 1.677 6.787 ( 0.742 -0.000 -0.427) 0.856 6.875 ( 1.116 -0.000 0.760) 1.350 6.964 ( 1.480 -0.000 -3.324) 3.638 7.327 ( 0.599 -0.000 0.680) 0.906 7.385 ( -0.605 0.000 -5.688) 5.720 7.592 ( 1.695 -0.000 2.485) 3.008 7.627 ( 7.025 -0.000 4.948) 8.593 7.834 ( -8.620 0.000 -5.440) 10.193 8.092 ( -2.167 0.000 3.516) 4.130 8.161 ( -2.571 0.000 -0.594) 2.638 8.350 ( 0.273 -0.000 -0.127) 0.301 8.501 ( 3.481 -0.000 1.072) 3.642 8.593 ( -11.825 0.000 0.827) 11.854 8.674 ( 0.191 -0.000 0.681) 0.708 8.783 ( -10.163 0.000 -3.684) 10.810 8.813 ( 2.553 -0.000 -6.153) 6.662 8.955 ( 4.797 -0.000 0.916) 4.884 8.971 ( 4.309 -0.000 0.392) 4.327 9.148 ( 8.029 -0.000 -3.225) 8.652 9.191 ( -7.564 0.000 11.789) 14.007 9.360 ( -6.234 0.000 2.705) 6.795 9.652 ( -2.514 0.000 2.495) 3.542 9.717 ( -5.587 0.000 0.905) 5.660 9.799 ( 1.442 -0.000 -13.554) 13.631 9.847 ( 4.907 -0.000 -3.089) 5.798 10.087 ( -0.308 0.000 1.089) 1.132 10.098 ( 5.316 -0.000 -0.534) 5.343 10.215 ( -1.279 0.000 5.512) 5.659 10.348 ( -1.068 0.000 -0.897) 1.395 10.423 ( 2.333 -0.000 1.716) 2.896 10.529 ( 6.046 -0.000 5.927) 8.467 10.876 ( -1.758 0.000 -1.542) 2.339 10.889 ( 4.727 -0.000 1.102) 4.854 10.985 ( -6.441 0.000 -2.655) 6.967 11.031 ( 2.531 -0.000 0.632) 2.609 11.142 ( -0.285 0.000 1.104) 1.141 11.234 ( 0.856 -0.000 -2.075) 2.245 11.347 ( -0.222 0.000 -2.106) 2.118 11.401 ( -0.602 0.000 0.330) 0.687 11.695 ( -2.259 0.000 1.154) 2.536 11.839 ( -0.811 0.000 -0.417) 0.912 11.844 ( 3.396 -0.000 -4.655) 5.762 11.873 ( 0.077 -0.000 -1.216) 1.219 11.988 ( 0.890 -0.000 8.075) 8.124 12.364 ( 1.389 -0.000 1.516) 2.056 12.683 ( -3.006 0.000 -3.002) 4.248 12.817 ( -0.026 0.000 -0.381) 0.382 12.821 ( 1.407 -0.000 0.674) 1.560 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.974 ( 20.573 -15.607 8.813) 27.285 1.016 ( 18.780 -18.625 10.788) 28.565 1.591 ( 32.762 -22.232 16.259) 42.801 2.228 ( 7.746 -3.629 -15.335) 17.559 2.299 ( 5.157 -5.973 -13.526) 15.660 2.654 ( -0.965 -0.640 8.859) 8.935 2.765 ( -1.318 6.503 6.282) 9.137 2.923 ( -9.158 0.893 -0.286) 9.206 3.052 ( -4.701 0.387 -3.175) 5.686 3.117 ( -6.057 6.108 1.373) 8.711 3.255 ( 0.532 1.986 -2.014) 2.878 3.360 ( -3.638 3.520 -1.296) 5.225 3.541 ( 2.991 1.002 -0.364) 3.175 3.794 ( 0.542 5.197 -2.000) 5.595 3.929 ( -1.612 4.940 0.063) 5.197 4.048 ( -1.089 2.104 -0.982) 2.564 4.093 ( 2.047 1.623 2.339) 3.506 4.118 ( -1.420 -1.776 -1.776) 2.886 4.134 ( 0.766 2.023 -2.342) 3.188 4.207 ( 0.794 -1.946 2.091) 2.965 4.247 ( -0.839 -1.942 0.543) 2.184 4.353 ( -1.687 -4.565 -0.786) 4.930 6.373 ( 0.912 0.908 1.171) 1.740 6.433 ( -1.543 0.951 -2.382) 2.993 6.851 ( 0.150 -5.532 -0.179) 5.537 6.972 ( 1.638 -7.884 0.415) 8.063 7.038 ( 2.482 -7.939 -0.185) 8.320 7.406 ( -1.393 -5.595 -5.262) 7.806 7.454 ( -0.484 -11.117 0.200) 11.129 7.626 ( 2.600 -0.952 1.205) 3.019 7.734 ( 4.300 -1.901 3.879) 6.095 7.780 ( -1.177 -3.714 -1.424) 4.148 8.140 ( -1.156 -5.844 2.230) 6.361 8.232 ( -5.410 -7.978 -1.080) 9.699 8.367 ( -1.437 -2.141 -0.103) 2.581 8.488 ( -6.292 -0.541 -3.357) 7.153 8.528 ( -2.915 -2.012 0.242) 3.550 8.643 ( -7.091 0.923 -1.214) 7.253 8.731 ( 1.180 -3.292 -1.797) 3.931 8.856 ( -2.182 -3.809 -4.964) 6.627 9.009 ( -3.028 -3.524 2.649) 5.348 9.066 ( 5.256 -4.617 0.616) 7.023 9.172 ( 2.584 0.858 0.592) 2.786 9.233 ( -0.811 -2.574 3.904) 4.746 9.381 ( -0.026 -2.911 5.689) 6.391 9.578 ( -6.525 4.902 2.189) 8.450 9.669 ( -4.850 0.803 0.822) 4.984 9.713 ( 2.872 2.322 -9.397) 10.096 9.904 ( 4.667 -1.227 -5.801) 7.546 10.049 ( -1.593 3.680 0.501) 4.041 10.134 ( 5.650 0.250 -0.019) 5.656 10.196 ( -1.903 2.954 6.289) 7.204 10.350 ( -2.152 -1.004 -1.067) 2.604 10.413 ( 3.371 4.309 1.248) 5.611 10.545 ( 5.377 4.283 3.681) 7.798 10.838 ( 0.665 2.353 0.270) 2.460 10.872 ( 1.159 3.479 1.512) 3.967 10.954 ( -0.158 0.018 0.173) 0.235 11.047 ( 3.622 1.807 -0.350) 4.063 11.123 ( -1.883 2.611 0.146) 3.222 11.181 ( -1.988 1.752 -4.733) 5.424 11.312 ( 0.533 2.352 -2.048) 3.163 11.383 ( -1.164 2.464 3.776) 4.656 11.675 ( -0.562 3.974 2.053) 4.508 11.760 ( 3.852 3.309 -3.663) 6.261 11.868 ( -1.598 -0.899 0.564) 1.918 11.875 ( 1.305 -0.192 -4.105) 4.312 12.031 ( 0.386 -0.232 7.558) 7.571 12.378 ( 2.064 0.749 1.332) 2.568 12.496 ( -0.126 8.885 -1.683) 9.044 12.806 ( 1.423 2.910 0.957) 3.378 12.869 ( -3.285 -0.728 -2.033) 3.931 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.481 ( 15.450 -18.297 6.808) 24.896 1.541 ( 15.245 -17.566 8.495) 24.762 2.277 ( 12.221 -14.184 -1.859) 18.815 2.362 ( 13.215 -14.559 -1.710) 19.737 2.432 ( 7.750 -8.765 -13.685) 18.005 2.661 ( -2.904 4.698 6.597) 8.604 2.684 ( -1.870 -0.474 5.066) 5.421 2.808 ( -8.985 3.124 2.926) 9.952 2.917 ( -3.498 7.726 0.550) 8.499 3.045 ( -2.986 -1.649 -3.783) 5.094 3.155 ( -0.567 7.286 -1.882) 7.547 3.233 ( -2.899 6.559 0.263) 7.176 3.533 ( 0.309 1.540 0.936) 1.828 3.653 ( -2.314 7.672 -1.665) 8.185 3.823 ( 0.143 5.518 0.536) 5.545 3.954 ( -2.751 5.830 0.512) 6.467 4.038 ( 2.670 3.138 0.118) 4.121 4.134 ( 2.957 0.107 -3.891) 4.888 4.167 ( -0.618 -2.740 -2.221) 3.581 4.253 ( -0.079 -1.663 1.304) 2.115 4.292 ( -2.019 -3.643 1.016) 4.287 4.407 ( -1.065 -2.584 0.229) 2.804 6.372 ( 0.779 0.822 1.430) 1.824 6.402 ( -0.031 0.094 -2.386) 2.389 6.966 ( -0.873 -6.579 -0.056) 6.637 7.134 ( 3.814 -5.623 0.025) 6.795 7.292 ( 2.578 -15.290 1.517) 15.580 7.520 ( -4.577 -10.085 -3.001) 11.474 7.651 ( 1.548 -7.087 -4.913) 8.761 7.708 ( -0.263 -10.316 2.963) 10.736 7.832 ( -0.902 -9.152 0.959) 9.246 7.948 ( 7.755 -7.285 4.561) 11.577 8.258 ( -3.081 -4.354 -0.229) 5.339 8.317 ( -3.420 -7.458 -1.581) 8.356 8.389 ( -7.519 -5.968 -0.848) 9.637 8.487 ( -1.258 -4.461 0.145) 4.637 8.571 ( -1.983 -2.412 0.057) 3.123 8.636 ( -3.756 -8.707 -3.428) 10.083 8.808 ( 0.940 -3.948 -0.286) 4.068 8.893 ( -1.400 -3.913 -4.637) 6.227 9.050 ( -6.857 -3.682 2.776) 8.263 9.165 ( 1.996 2.546 0.209) 3.242 9.196 ( 2.918 -3.500 2.039) 4.993 9.294 ( 0.340 -3.697 1.270) 3.924 9.378 ( -5.713 5.466 0.114) 7.908 9.533 ( 6.646 -0.527 8.504) 10.806 9.595 ( -5.148 2.982 0.499) 5.970 9.675 ( 2.360 1.414 -3.175) 4.201 9.905 ( -0.357 -0.053 -9.990) 9.996 9.947 ( -1.683 4.930 -0.102) 5.210 10.114 ( 0.060 5.830 4.192) 7.181 10.166 ( 1.682 2.242 0.471) 2.843 10.310 ( -0.591 3.504 -2.453) 4.317 10.364 ( 2.036 3.139 1.055) 3.888 10.515 ( 2.055 2.919 4.009) 5.368 10.790 ( -1.502 4.275 -0.326) 4.543 10.840 ( 5.999 2.097 1.345) 6.495 10.914 ( -1.267 7.888 -2.061) 8.251 11.008 ( 1.321 0.499 0.229) 1.431 11.048 ( -0.490 2.593 -0.085) 2.641 11.138 ( 1.035 1.519 -1.567) 2.416 11.269 ( 1.748 2.961 -0.606) 3.492 11.327 ( -3.236 3.163 6.131) 7.620 11.539 ( 1.295 8.687 -3.004) 9.283 11.782 ( 6.686 -0.204 -0.900) 6.750 11.858 ( -0.355 0.238 -3.761) 3.785 11.891 ( -1.337 -2.596 1.049) 3.103 12.060 ( -0.814 0.286 6.394) 6.452 12.339 ( -2.631 5.939 -3.288) 7.280 12.376 ( 1.984 2.024 0.808) 2.947 12.745 ( 1.379 5.274 1.214) 5.585 12.797 ( -2.669 4.186 -1.578) 5.209 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.951 ( 11.447 -16.833 5.170) 21.002 1.989 ( 11.542 -15.103 6.154) 19.980 2.401 ( 2.313 -3.634 -7.815) 8.924 2.488 ( 1.853 1.317 -5.782) 6.213 2.621 ( 1.813 0.036 -1.301) 2.232 2.680 ( -0.599 1.381 1.712) 2.280 2.708 ( -2.501 2.155 0.574) 3.351 2.758 ( -5.536 0.945 1.731) 5.877 2.875 ( 0.605 -11.760 1.845) 11.919 2.997 ( 1.915 4.323 -1.640) 5.004 3.021 ( -0.748 5.150 2.253) 5.671 3.118 ( -2.360 0.776 -1.816) 3.077 3.467 ( 0.372 7.020 -0.533) 7.050 3.528 ( -5.000 0.116 1.503) 5.223 3.735 ( 1.644 5.435 2.683) 6.280 3.842 ( 1.535 4.846 0.179) 5.086 4.027 ( 4.431 1.540 1.283) 4.863 4.096 ( -0.192 4.030 -3.226) 5.166 4.200 ( -1.099 -3.518 -2.860) 4.665 4.285 ( 0.573 -1.235 -1.140) 1.775 4.345 ( -1.912 -3.052 2.016) 4.127 4.431 ( -0.464 -0.584 0.317) 0.810 6.370 ( 0.701 -0.197 -1.640) 1.795 6.406 ( 1.117 0.218 1.490) 1.875 7.059 ( -2.378 -4.824 -0.653) 5.418 7.228 ( 4.228 -0.872 1.097) 4.454 7.564 ( -2.341 -6.653 -3.535) 7.889 7.610 ( 0.729 -8.109 0.989) 8.202 7.839 ( 0.668 -12.390 -1.782) 12.535 7.962 ( -0.923 -14.706 2.771) 14.993 8.066 ( 0.505 -14.384 2.794) 14.661 8.167 ( 3.002 -9.063 1.585) 9.678 8.269 ( -1.780 -5.031 -3.578) 6.425 8.428 ( -0.723 -6.093 -1.466) 6.309 8.495 ( -2.985 -7.675 1.338) 8.343 8.576 ( 1.414 -3.961 4.020) 5.818 8.675 ( -2.330 -11.106 -1.365) 11.430 8.790 ( -1.912 -9.674 -4.243) 10.735 8.874 ( 0.127 -1.461 0.776) 1.659 8.919 ( -0.462 -1.228 -4.986) 5.156 9.038 ( -5.720 0.440 2.610) 6.303 9.103 ( -1.683 5.211 4.561) 7.126 9.179 ( 0.504 7.084 -4.785) 8.563 9.256 ( -0.753 3.209 3.561) 4.852 9.387 ( -1.087 -5.217 -0.882) 5.402 9.484 ( -4.300 4.161 1.825) 6.256 9.620 ( 7.013 2.375 3.641) 8.251 9.664 ( -1.694 0.025 2.391) 2.930 9.837 ( -3.006 5.014 -0.301) 5.853 9.862 ( -0.742 -3.302 -12.072) 12.537 9.985 ( 0.294 9.321 1.045) 9.384 10.112 ( -1.186 3.627 -2.276) 4.443 10.248 ( 3.947 2.460 4.546) 6.504 10.320 ( 1.741 4.526 1.555) 5.093 10.511 ( -2.227 1.330 1.462) 2.978 10.666 ( -2.850 6.218 -0.624) 6.868 10.729 ( 0.418 5.357 -5.416) 7.629 10.861 ( 6.083 2.372 -0.467) 6.545 11.010 ( 1.966 1.842 1.138) 2.925 11.033 ( -1.054 0.967 6.657) 6.809 11.113 ( 3.780 2.727 -1.032) 4.774 11.239 ( 0.601 0.160 0.261) 0.675 11.276 ( -3.000 2.201 4.628) 5.938 11.388 ( 2.941 7.045 -4.825) 9.031 11.820 ( -0.381 1.000 -2.787) 2.985 11.853 ( 4.362 -1.049 -0.486) 4.512 11.948 ( 0.026 -3.272 0.959) 3.410 12.064 ( -1.898 0.220 4.608) 4.989 12.215 ( -3.196 2.506 -3.807) 5.567 12.341 ( 1.253 3.401 0.266) 3.634 12.656 ( 1.077 5.466 1.145) 5.688 12.681 ( -1.793 4.951 -0.906) 5.344 ======================= Grid point 14 (10/115) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.288 ( 1.620 -1.657 -0.836) 2.463 2.307 ( 6.073 -8.477 2.671) 10.765 2.409 ( -1.309 1.511 -0.506) 2.062 2.458 ( 2.509 2.593 -1.192) 3.800 2.491 ( 0.197 4.033 -0.851) 4.126 2.591 ( 0.916 2.262 0.400) 2.473 2.672 ( 1.050 1.189 -0.440) 1.646 2.837 ( 1.501 -5.530 -3.655) 6.796 2.869 ( -1.437 1.276 4.200) 4.619 2.946 ( -1.862 0.952 2.352) 3.147 3.043 ( -3.130 -1.244 -4.327) 5.483 3.122 ( -6.018 -2.269 2.576) 6.928 3.380 ( -0.451 0.138 -3.462) 3.494 3.529 ( -3.809 -4.004 0.823) 5.587 3.637 ( 2.075 10.215 0.819) 10.455 3.810 ( 5.054 2.425 0.774) 5.659 3.982 ( -2.151 4.071 -0.412) 4.623 4.081 ( 5.665 -1.789 1.642) 6.163 4.260 ( 0.881 -3.682 -1.249) 3.986 4.294 ( 0.229 0.411 0.357) 0.591 4.383 ( -1.571 -1.736 1.105) 2.589 4.425 ( -0.320 0.783 -0.574) 1.022 6.366 ( -0.198 0.560 -1.056) 1.212 6.427 ( 2.382 -0.255 1.881) 3.046 7.099 ( -3.671 -2.807 -1.322) 4.806 7.257 ( 3.639 1.981 1.981) 4.593 7.555 ( -5.063 -1.611 -6.419) 8.333 7.767 ( 3.941 -2.433 6.092) 7.653 8.019 ( -0.338 -6.777 -1.708) 6.997 8.116 ( 0.945 -0.451 1.080) 1.505 8.356 ( 1.486 -14.140 2.559) 14.446 8.407 ( 0.155 -13.875 0.075) 13.876 8.487 ( 1.515 -14.137 -1.313) 14.278 8.525 ( 0.198 -7.003 -2.100) 7.314 8.562 ( 4.217 1.724 3.305) 5.629 8.681 ( -0.143 -1.000 -1.376) 1.707 8.721 ( -3.825 6.651 -1.223) 7.769 8.810 ( 0.038 6.406 0.809) 6.457 8.870 ( -2.969 -2.557 -2.060) 4.427 8.930 ( -1.219 -0.563 4.702) 4.890 8.983 ( -1.358 1.932 -0.456) 2.405 9.040 ( 0.352 -0.294 1.190) 1.275 9.058 ( -2.530 1.442 -4.478) 5.342 9.224 ( 0.981 -0.273 0.194) 1.037 9.373 ( -3.934 2.233 -3.302) 5.600 9.480 ( -2.426 -3.724 4.120) 6.060 9.585 ( 2.194 4.573 -0.163) 5.075 9.658 ( -2.760 -0.708 -3.729) 4.693 9.724 ( -4.289 5.117 -0.449) 6.692 9.815 ( -1.347 3.048 2.361) 4.084 9.958 ( 6.723 -3.838 -0.949) 7.799 10.038 ( 0.076 0.017 -3.183) 3.184 10.221 ( -2.229 6.122 -2.039) 6.827 10.259 ( 0.908 4.868 1.324) 5.126 10.444 ( -0.456 -2.559 3.530) 4.384 10.616 ( -0.465 0.673 3.931) 4.015 10.673 ( -0.419 0.026 -5.433) 5.450 10.841 ( 2.931 2.656 -4.839) 6.250 10.977 ( -2.723 3.779 7.613) 8.924 11.022 ( 4.807 1.777 -0.134) 5.126 11.125 ( 3.788 0.831 6.019) 7.160 11.205 ( -3.492 1.262 -2.148) 4.290 11.286 ( 2.692 -0.595 0.152) 2.761 11.304 ( 1.929 1.906 -2.460) 3.661 11.772 ( -2.969 0.813 -1.669) 3.501 11.888 ( 1.433 0.652 0.431) 1.632 11.998 ( 0.819 -0.726 0.108) 1.099 12.070 ( -0.110 -0.255 0.890) 0.932 12.179 ( -2.255 -2.467 -1.580) 3.697 12.286 ( 0.918 2.863 0.121) 3.009 12.576 ( -0.934 2.899 -0.158) 3.050 12.614 ( 0.981 1.346 0.805) 1.850 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.027 ( -4.838 18.231 -5.014) 19.517 2.073 ( -3.947 20.769 -1.097) 21.169 2.399 ( -0.118 1.674 -0.438) 1.735 2.502 ( -0.769 -0.739 1.283) 1.669 2.603 ( 6.736 -6.930 0.070) 9.664 2.679 ( 1.988 -0.501 1.013) 2.287 2.762 ( 1.794 -10.092 -0.175) 10.252 2.858 ( -3.572 2.129 4.520) 6.142 2.874 ( 1.564 0.292 5.629) 5.850 2.967 ( 1.056 -0.831 -2.893) 3.189 3.022 ( -2.976 -5.030 -1.823) 6.122 3.079 ( -3.665 7.871 1.264) 8.774 3.379 ( -2.571 3.329 -4.924) 6.476 3.438 ( -2.073 -1.921 -2.347) 3.674 3.624 ( -0.765 -7.813 -0.866) 7.898 3.818 ( 3.375 1.024 1.671) 3.903 3.946 ( 0.911 -0.268 0.187) 0.968 4.172 ( 4.514 -1.290 2.781) 5.457 4.279 ( -0.296 1.563 1.909) 2.484 4.323 ( 1.636 -0.823 0.795) 1.996 4.382 ( -1.332 0.245 -1.746) 2.210 4.405 ( -0.691 0.080 -0.311) 0.762 6.342 ( -0.722 0.973 -0.583) 1.345 6.459 ( 2.411 0.208 1.857) 3.050 7.101 ( -3.734 -1.633 -1.179) 4.242 7.230 ( 2.518 4.685 1.542) 5.538 7.501 ( -4.417 0.683 -4.104) 6.068 7.830 ( 4.938 2.245 6.488) 8.457 8.047 ( 0.397 4.517 -0.968) 4.636 8.104 ( -0.057 1.488 -1.793) 2.331 8.292 ( -0.723 18.259 -0.849) 18.293 8.430 ( 3.416 13.721 -4.541) 14.851 8.513 ( -0.816 4.421 3.324) 5.591 8.522 ( -0.126 11.384 1.657) 11.504 8.646 ( 5.754 -0.853 3.605) 6.844 8.709 ( 1.485 -4.650 0.516) 4.909 8.744 ( -1.014 -8.809 0.224) 8.870 8.821 ( -3.334 4.911 2.998) 6.650 8.844 ( -0.034 -6.097 -6.613) 8.995 8.946 ( -1.453 2.248 0.489) 2.721 8.994 ( -3.677 -5.989 -1.948) 7.293 9.006 ( -1.604 -9.244 -2.305) 9.661 9.118 ( 2.821 -3.298 1.562) 4.612 9.244 ( 1.514 4.507 3.668) 6.005 9.306 ( -1.296 -1.422 -2.321) 3.015 9.456 ( -3.377 2.147 -2.879) 4.930 9.515 ( 2.936 1.794 0.696) 3.510 9.657 ( -3.480 0.812 -1.410) 3.841 9.685 ( -2.840 -5.843 -1.929) 6.777 9.823 ( -2.629 -3.427 2.538) 5.010 9.983 ( -3.494 5.208 -3.869) 7.369 10.081 ( 4.598 -1.935 1.104) 5.109 10.160 ( 1.005 -7.752 -0.213) 7.820 10.271 ( 5.312 -1.564 2.241) 5.974 10.523 ( -4.274 -2.370 1.087) 5.006 10.628 ( -1.267 -1.348 2.074) 2.779 10.659 ( 0.604 -2.464 -1.930) 3.188 10.769 ( -1.698 2.355 -3.821) 4.799 10.954 ( 0.005 -0.256 2.373) 2.387 11.015 ( 0.647 1.784 -1.456) 2.392 11.173 ( 2.179 -0.165 -3.087) 3.782 11.185 ( 3.032 -0.537 10.329) 10.778 11.299 ( 0.535 -0.642 -0.247) 0.871 11.318 ( 1.926 -0.997 -2.373) 3.215 11.739 ( -2.201 0.018 0.565) 2.272 11.870 ( -1.553 0.836 0.256) 1.782 11.985 ( 0.222 1.415 -1.390) 1.996 12.050 ( -0.166 2.652 -1.540) 3.072 12.230 ( -1.075 -4.030 -0.293) 4.182 12.284 ( 1.550 -1.305 1.161) 2.335 12.555 ( -0.583 -1.611 -0.283) 1.736 12.651 ( 1.281 -3.644 0.805) 3.945 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.575 ( -4.206 23.698 -3.642) 24.342 1.602 ( -3.745 25.296 -1.328) 25.606 2.350 ( -1.214 3.147 0.752) 3.456 2.492 ( -1.019 0.261 1.679) 1.981 2.552 ( -3.593 31.183 -0.630) 31.396 2.638 ( -0.393 6.302 -0.148) 6.316 2.769 ( 0.699 7.170 1.130) 7.292 2.824 ( 2.796 -8.990 -0.134) 9.416 2.908 ( -0.598 -6.644 -0.755) 6.714 2.981 ( 0.363 -4.970 -1.602) 5.234 3.047 ( 0.115 -7.763 3.533) 8.530 3.167 ( 1.764 -8.373 0.408) 8.567 3.400 ( -1.487 -5.170 -1.916) 5.711 3.529 ( -1.609 -7.863 -1.758) 8.216 3.773 ( 1.171 -7.124 -0.159) 7.222 3.864 ( 0.827 -4.390 1.193) 4.623 3.979 ( 1.419 -1.708 -0.121) 2.224 4.206 ( 1.498 2.432 3.824) 4.773 4.249 ( -1.005 2.070 2.622) 3.488 4.275 ( 0.266 4.015 -3.938) 5.630 4.369 ( 0.428 1.931 -0.034) 1.978 4.418 ( -0.327 -1.835 -0.256) 1.882 6.322 ( -0.483 0.095 -0.558) 0.744 6.470 ( 1.161 0.903 1.357) 2.001 7.091 ( -1.957 -0.168 -0.588) 2.050 7.137 ( 0.834 7.236 0.862) 7.334 7.408 ( -2.427 5.698 -1.492) 6.371 7.806 ( 3.918 8.787 2.428) 9.923 7.849 ( -1.254 15.116 0.623) 15.181 7.938 ( 1.287 13.257 2.940) 13.640 8.003 ( -0.744 10.686 -5.120) 11.873 8.209 ( 4.217 11.082 -0.552) 11.870 8.285 ( -4.330 8.757 0.709) 9.795 8.446 ( -1.273 5.212 -0.605) 5.399 8.603 ( -1.157 8.303 -0.350) 8.391 8.677 ( 2.418 7.435 0.238) 7.822 8.716 ( 7.940 3.040 -1.684) 8.668 8.792 ( -0.760 1.886 1.945) 2.814 8.859 ( -3.479 2.790 0.278) 4.468 8.965 ( 0.081 -2.542 -2.861) 3.828 8.997 ( -5.692 -2.836 1.718) 6.587 9.133 ( 0.976 3.548 2.531) 4.466 9.209 ( -1.551 0.641 0.101) 1.681 9.284 ( 1.481 -14.075 -1.357) 14.218 9.377 ( 5.766 -2.753 -1.716) 6.616 9.488 ( 1.791 -4.757 -0.525) 5.110 9.525 ( -0.313 -1.816 4.920) 5.254 9.594 ( -2.090 -0.051 -3.700) 4.250 9.735 ( -2.408 -1.371 0.112) 2.773 9.867 ( -3.878 -2.667 -2.268) 5.224 9.915 ( -3.295 -4.218 -2.800) 6.041 10.179 ( 5.119 -0.661 2.914) 5.927 10.269 ( -0.583 -3.167 4.819) 5.796 10.360 ( -0.988 -2.526 -5.129) 5.802 10.508 ( 2.308 -0.986 2.831) 3.783 10.648 ( -3.392 -3.629 -3.210) 5.914 10.755 ( 1.425 -2.756 -1.061) 3.279 10.777 ( -1.076 -7.378 1.943) 7.705 10.981 ( -3.270 -0.763 3.192) 4.633 10.992 ( 2.338 -2.690 -4.698) 5.897 11.178 ( 2.933 1.536 0.455) 3.342 11.270 ( -0.479 -0.076 2.691) 2.734 11.307 ( 2.910 -2.507 -0.082) 3.842 11.387 ( -0.873 -6.382 0.555) 6.466 11.741 ( 0.222 -0.461 2.784) 2.830 11.841 ( -1.999 0.413 -1.458) 2.509 11.955 ( 0.742 2.305 0.040) 2.422 11.982 ( -1.254 1.741 -2.881) 3.592 12.287 ( -0.727 -2.890 -0.157) 2.985 12.341 ( 0.980 -2.480 0.935) 2.826 12.614 ( -0.291 -4.733 -0.326) 4.753 12.761 ( 0.944 -6.398 0.523) 6.488 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.067 ( -0.000 27.269 -0.000) 27.269 1.081 ( -0.000 27.961 -0.000) 27.961 1.802 ( -0.000 43.830 -0.000) 43.830 2.279 ( -0.000 3.713 -0.000) 3.713 2.481 ( -0.000 8.837 -0.000) 8.837 2.561 ( 0.000 -6.509 0.000) 6.509 2.669 ( -0.000 4.229 -0.000) 4.229 3.005 ( 0.000 -6.156 0.000) 6.156 3.044 ( 0.000 -8.764 0.000) 8.764 3.067 ( 0.000 -4.461 0.000) 4.461 3.202 ( 0.000 -6.825 0.000) 6.825 3.318 ( 0.000 -6.922 0.000) 6.922 3.445 ( 0.000 -1.063 0.000) 1.063 3.674 ( 0.000 -8.290 0.000) 8.290 3.887 ( 0.000 -5.521 0.000) 5.521 4.009 ( 0.000 -8.958 0.000) 8.958 4.016 ( 0.000 -1.159 0.000) 1.159 4.123 ( -0.000 5.869 -0.000) 5.869 4.209 ( -0.000 2.468 -0.000) 2.468 4.213 ( -0.000 2.513 -0.000) 2.513 4.319 ( -0.000 3.389 -0.000) 3.389 4.430 ( -0.000 0.670 -0.000) 0.670 6.330 ( 0.000 -1.285 0.000) 1.285 6.465 ( -0.000 0.168 -0.000) 0.168 6.994 ( -0.000 8.090 -0.000) 8.090 7.053 ( -0.000 3.840 -0.000) 3.840 7.211 ( -0.000 13.445 -0.000) 13.445 7.590 ( -0.000 8.096 -0.000) 8.096 7.638 ( -0.000 10.397 -0.000) 10.397 7.741 ( -0.000 9.131 -0.000) 9.131 7.769 ( -0.000 14.955 -0.000) 14.955 8.040 ( -0.000 6.059 -0.000) 6.059 8.198 ( -0.000 1.701 -0.000) 1.701 8.310 ( -0.000 6.858 -0.000) 6.858 8.459 ( -0.000 5.810 -0.000) 5.810 8.516 ( -0.000 9.610 -0.000) 9.610 8.713 ( -0.000 1.654 -0.000) 1.654 8.751 ( -0.000 3.186 -0.000) 3.186 8.832 ( 0.000 -0.390 0.000) 0.390 8.901 ( -0.000 2.696 -0.000) 2.696 9.053 ( 0.000 -1.784 0.000) 1.784 9.070 ( -0.000 4.827 -0.000) 4.827 9.140 ( -0.000 3.785 -0.000) 3.785 9.400 ( -0.000 2.433 -0.000) 2.433 9.472 ( 0.000 -1.997 0.000) 1.997 9.557 ( 0.000 -7.797 0.000) 7.797 9.593 ( 0.000 -3.734 0.000) 3.734 9.719 ( -0.000 0.848 -0.000) 0.848 9.726 ( 0.000 -10.128 0.000) 10.128 9.823 ( -0.000 2.106 -0.000) 2.106 10.031 ( 0.000 -7.870 0.000) 7.870 10.168 ( -0.000 4.199 -0.000) 4.199 10.329 ( 0.000 -1.925 0.000) 1.925 10.365 ( 0.000 -2.535 0.000) 2.535 10.560 ( -0.000 0.875 -0.000) 0.875 10.687 ( 0.000 -3.003 0.000) 3.003 10.822 ( 0.000 -3.035 0.000) 3.035 10.904 ( 0.000 -6.405 0.000) 6.405 11.042 ( 0.000 -5.084 0.000) 5.084 11.046 ( 0.000 -3.181 0.000) 3.181 11.162 ( -0.000 1.466 -0.000) 1.466 11.273 ( 0.000 -1.771 0.000) 1.771 11.377 ( 0.000 -2.524 0.000) 2.524 11.541 ( 0.000 -9.596 0.000) 9.596 11.774 ( 0.000 -1.012 0.000) 1.012 11.815 ( -0.000 0.137 -0.000) 0.137 11.908 ( -0.000 2.095 -0.000) 2.095 11.962 ( -0.000 0.019 -0.000) 0.019 12.323 ( 0.000 -1.391 0.000) 1.391 12.387 ( 0.000 -1.903 0.000) 1.903 12.705 ( 0.000 -4.802 0.000) 4.802 12.889 ( 0.000 -6.221 0.000) 6.221 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.048 ( 23.519 -0.000 12.016) 26.410 1.068 ( 23.450 -0.000 10.995) 25.899 1.795 ( 38.101 -0.000 19.003) 42.577 2.186 ( 8.635 -0.000 -18.526) 20.439 2.229 ( 6.894 -0.000 -14.863) 16.384 2.683 ( -1.050 0.000 8.168) 8.235 2.836 ( -4.953 0.000 5.762) 7.598 2.853 ( -7.204 0.000 1.068) 7.283 2.966 ( -8.803 0.000 -4.386) 9.835 3.152 ( -5.399 0.000 3.366) 6.362 3.254 ( -0.586 0.000 -3.834) 3.879 3.355 ( -3.321 0.000 -0.333) 3.338 3.560 ( 2.027 -0.000 -4.424) 4.867 3.864 ( 1.878 -0.000 0.787) 2.037 3.972 ( -1.721 0.000 -1.033) 2.007 4.051 ( -0.004 0.000 -0.663) 0.663 4.087 ( -1.960 0.000 0.417) 2.004 4.120 ( -0.260 0.000 -1.111) 1.141 4.145 ( 1.841 -0.000 1.937) 2.673 4.215 ( -0.773 0.000 -0.122) 0.783 4.232 ( -1.559 0.000 -2.984) 3.367 4.271 ( 0.207 -0.000 2.348) 2.357 6.397 ( 1.883 -0.000 0.646) 1.990 6.418 ( -2.452 0.000 -1.835) 3.062 6.801 ( 1.255 -0.000 -0.201) 1.271 6.907 ( 1.564 -0.000 1.227) 1.988 6.980 ( 2.281 -0.000 0.410) 2.317 7.323 ( -0.784 0.000 -6.101) 6.151 7.356 ( 1.558 -0.000 1.848) 2.417 7.644 ( 2.994 -0.000 -0.234) 3.003 7.684 ( -4.589 0.000 -3.080) 5.527 7.845 ( 11.518 -0.000 7.959) 14.000 8.080 ( -2.143 0.000 2.213) 3.080 8.089 ( -4.850 0.000 -1.602) 5.108 8.326 ( -4.820 0.000 -0.359) 4.833 8.405 ( -7.880 0.000 -6.014) 9.913 8.457 ( -3.923 0.000 -1.641) 4.252 8.591 ( -5.512 0.000 -2.328) 5.983 8.703 ( 1.047 -0.000 0.594) 1.204 8.795 ( -1.087 0.000 -1.516) 1.865 8.977 ( -3.573 0.000 -4.118) 5.452 8.982 ( -2.537 0.000 2.451) 3.528 9.182 ( -5.651 0.000 10.859) 12.241 9.279 ( 10.586 -0.000 -4.673) 11.571 9.418 ( 4.493 -0.000 7.868) 9.060 9.589 ( -7.169 0.000 1.494) 7.323 9.614 ( -2.353 0.000 -1.877) 3.010 9.691 ( -0.805 0.000 -7.352) 7.396 9.905 ( 2.129 -0.000 -4.617) 5.085 10.087 ( -0.517 0.000 -0.152) 0.539 10.134 ( 1.155 -0.000 -3.799) 3.971 10.220 ( -4.836 0.000 6.490) 8.094 10.334 ( -0.451 0.000 0.321) 0.554 10.475 ( 1.559 -0.000 0.874) 1.787 10.670 ( 4.730 -0.000 4.240) 6.352 10.882 ( 0.102 -0.000 -0.108) 0.149 10.896 ( 3.114 -0.000 -0.666) 3.184 10.982 ( 4.533 -0.000 0.418) 4.553 11.096 ( 3.221 -0.000 -2.557) 4.112 11.138 ( -4.243 0.000 -6.741) 7.965 11.160 ( 2.216 -0.000 4.713) 5.208 11.334 ( 0.639 -0.000 -0.970) 1.162 11.416 ( -1.615 0.000 4.595) 4.870 11.724 ( 0.960 -0.000 3.333) 3.468 11.807 ( -2.245 0.000 -1.078) 2.491 11.841 ( -0.293 0.000 1.752) 1.777 11.870 ( 3.978 -0.000 -8.311) 9.213 12.062 ( -0.275 0.000 7.185) 7.191 12.412 ( 2.547 -0.000 1.444) 2.928 12.577 ( -5.749 0.000 -4.018) 7.014 12.814 ( 0.172 -0.000 -0.499) 0.528 12.855 ( 1.721 -0.000 0.795) 1.895 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.396 ( 20.268 -10.018 8.027) 23.991 1.432 ( 19.036 -13.034 10.908) 25.519 2.202 ( 12.226 -4.133 -10.852) 16.861 2.281 ( 21.992 -9.550 4.863) 24.464 2.293 ( 10.701 -5.811 -11.117) 16.488 2.687 ( -4.264 0.108 5.394) 6.877 2.746 ( -7.102 4.782 5.955) 10.429 2.798 ( -6.178 1.979 2.480) 6.945 2.914 ( -6.590 -3.812 -4.668) 8.931 3.055 ( -2.838 7.052 2.792) 8.098 3.209 ( -2.590 1.965 -2.785) 4.281 3.311 ( -2.456 2.658 1.186) 3.809 3.543 ( 0.271 0.739 -4.999) 5.060 3.797 ( 0.476 8.094 0.612) 8.131 3.921 ( 0.382 3.543 0.415) 3.588 4.017 ( -1.145 3.187 -0.297) 3.400 4.077 ( -1.976 -0.560 0.919) 2.250 4.105 ( 0.860 0.887 -5.485) 5.622 4.176 ( 3.185 -1.325 0.348) 3.467 4.213 ( -3.042 -2.039 0.851) 3.760 4.233 ( -0.623 -1.011 0.722) 1.389 4.330 ( -0.304 -3.961 0.953) 4.086 6.382 ( -1.581 0.668 -1.820) 2.502 6.416 ( 2.571 0.364 1.113) 2.825 6.858 ( 0.592 -4.494 0.145) 4.535 7.011 ( 2.044 -8.537 1.158) 8.854 7.094 ( 3.371 -8.784 1.985) 9.616 7.331 ( -2.471 -4.550 -4.631) 6.947 7.463 ( 0.463 -8.500 1.058) 8.578 7.647 ( 0.841 -0.711 -4.492) 4.625 7.698 ( 0.000 -4.005 0.382) 4.023 7.997 ( 11.802 -1.860 8.171) 14.474 8.117 ( -5.988 -7.422 -2.452) 9.846 8.129 ( -2.250 -5.797 2.032) 6.542 8.264 ( -7.351 -0.581 -2.200) 7.695 8.362 ( -5.847 -4.511 -3.874) 8.339 8.456 ( -2.197 -4.236 -4.264) 6.399 8.573 ( 1.545 0.456 4.373) 4.660 8.745 ( 1.163 -3.227 -0.471) 3.462 8.801 ( -2.118 -2.804 -2.956) 4.592 8.933 ( -6.928 -2.440 0.663) 7.375 9.046 ( -4.057 -6.691 0.886) 7.874 9.194 ( -5.403 -1.479 10.394) 11.807 9.326 ( 9.595 1.565 -6.559) 11.727 9.397 ( -4.451 1.987 -4.699) 6.771 9.528 ( -7.599 -0.081 -0.041) 7.600 9.651 ( 0.568 -1.506 -5.292) 5.532 9.698 ( 10.704 0.892 11.063) 15.420 9.854 ( -5.312 1.436 -8.035) 9.739 10.033 ( -1.642 4.261 -0.553) 4.600 10.145 ( -0.480 -1.884 -4.350) 4.765 10.179 ( -5.319 2.060 4.977) 7.570 10.333 ( -0.231 0.243 0.896) 0.957 10.456 ( 0.430 3.217 1.349) 3.515 10.675 ( 5.501 4.584 2.857) 7.709 10.842 ( -0.560 3.141 -1.009) 3.346 10.942 ( 8.570 1.831 1.379) 8.871 11.004 ( 1.938 2.020 1.684) 3.266 11.047 ( -1.632 3.117 -3.697) 5.103 11.074 ( 2.164 2.113 -5.306) 6.108 11.200 ( 3.217 1.406 5.177) 6.255 11.325 ( 1.579 1.625 -0.023) 2.266 11.391 ( -2.328 2.912 4.922) 6.175 11.670 ( -1.556 5.663 0.300) 5.881 11.805 ( -1.224 -1.641 -0.235) 2.060 11.850 ( 0.216 -0.701 -2.682) 2.780 11.867 ( 5.800 1.355 -2.717) 6.547 12.081 ( -1.707 0.281 6.366) 6.597 12.427 ( -4.191 7.015 -4.414) 9.287 12.428 ( 1.996 1.237 1.767) 2.939 12.815 ( -1.106 0.784 -0.926) 1.642 12.844 ( 1.333 3.054 0.728) 3.411 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.802 ( 15.262 -13.509 6.333) 21.343 1.873 ( 15.608 -13.416 7.852) 22.028 2.288 ( 3.786 -5.125 -13.310) 14.756 2.439 ( 8.767 -7.094 -14.102) 18.057 2.589 ( -5.442 0.622 4.922) 7.364 2.649 ( -1.339 -4.775 4.982) 7.030 2.702 ( -1.185 -0.340 3.253) 3.479 2.749 ( -0.963 -0.781 6.321) 6.442 2.889 ( -0.588 8.620 0.873) 8.684 2.936 ( -3.756 -3.776 -3.981) 6.649 3.127 ( 0.238 4.851 -0.837) 4.929 3.220 ( -0.265 6.393 2.650) 6.925 3.498 ( -3.548 1.007 -1.165) 3.867 3.628 ( 0.829 9.360 -0.215) 9.399 3.863 ( 2.323 4.678 2.601) 5.835 3.933 ( 0.090 4.084 0.733) 4.150 4.065 ( 1.893 0.941 -5.332) 5.736 4.106 ( -0.094 -3.427 -3.610) 4.978 4.182 ( -0.988 3.363 2.013) 4.042 4.245 ( 0.876 -3.121 -1.733) 3.676 4.277 ( -1.657 -3.236 3.238) 4.869 4.393 ( -0.861 -2.678 0.343) 2.834 6.363 ( 0.343 -0.187 -1.851) 1.892 6.435 ( 2.148 0.552 1.982) 2.974 6.950 ( -1.159 -4.958 -0.058) 5.092 7.208 ( 3.885 -6.760 1.522) 7.944 7.347 ( 1.417 -13.684 1.319) 13.820 7.411 ( -3.871 -9.088 -2.704) 10.242 7.628 ( -0.840 -9.019 -3.350) 9.657 7.722 ( 1.248 -9.530 -0.618) 9.631 7.829 ( 0.065 -10.365 0.568) 10.380 8.145 ( 6.447 -1.737 3.834) 7.700 8.195 ( -1.768 -2.366 0.069) 2.955 8.239 ( -1.542 -10.306 0.659) 10.441 8.310 ( -1.446 -8.679 0.678) 8.825 8.437 ( -4.153 -9.587 -2.381) 10.716 8.547 ( -3.106 -9.491 -4.155) 10.816 8.621 ( 4.294 0.091 6.543) 7.827 8.814 ( -3.079 -3.160 -1.418) 4.634 8.841 ( 2.202 -4.737 -4.280) 6.753 8.945 ( -7.215 -3.977 3.932) 9.129 9.135 ( -3.669 -4.367 1.837) 5.992 9.224 ( -3.477 -0.792 6.641) 7.538 9.295 ( 0.414 2.277 -6.031) 6.460 9.337 ( 0.805 1.848 -0.029) 2.016 9.457 ( -5.033 0.061 -6.417) 8.156 9.661 ( -2.895 -0.144 -0.299) 2.914 9.715 ( -4.856 1.015 -8.941) 10.225 9.810 ( 7.215 2.804 4.363) 8.885 9.920 ( -0.643 5.459 1.465) 5.689 10.096 ( -4.317 3.924 2.858) 6.497 10.139 ( -1.831 0.413 -4.285) 4.678 10.326 ( 1.668 1.744 3.171) 3.984 10.403 ( 0.854 2.935 1.601) 3.450 10.632 ( 5.674 7.010 2.112) 9.262 10.740 ( -2.192 4.974 -2.588) 6.020 10.854 ( -1.002 9.165 -1.809) 9.396 10.979 ( 6.189 4.161 -1.225) 7.557 11.033 ( 3.910 -0.768 -1.420) 4.230 11.079 ( 3.646 0.411 4.601) 5.884 11.201 ( 2.250 2.733 3.559) 5.019 11.279 ( -0.270 3.838 -1.032) 3.984 11.333 ( -1.813 3.286 5.749) 6.865 11.535 ( 1.505 7.667 -3.197) 8.442 11.794 ( -2.986 -0.104 -3.016) 4.245 11.883 ( 0.953 -3.276 -0.506) 3.449 11.902 ( 6.051 0.289 -0.348) 6.068 12.074 ( -3.074 0.738 5.219) 6.102 12.247 ( -4.040 5.931 -3.954) 8.193 12.413 ( 1.514 2.776 0.626) 3.224 12.750 ( -1.585 4.290 -1.047) 4.692 12.778 ( 1.272 5.280 1.064) 5.534 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.177 ( 8.999 -11.810 4.304) 15.460 2.235 ( 11.888 -9.387 4.681) 15.854 2.336 ( -0.342 -3.934 -5.739) 6.966 2.477 ( 1.461 0.581 -4.149) 4.437 2.629 ( -1.157 -3.553 -4.262) 5.668 2.666 ( -1.953 6.401 1.688) 6.902 2.700 ( -2.905 2.725 2.556) 4.732 2.725 ( 2.405 -4.219 0.659) 4.901 2.839 ( -3.317 -4.330 1.577) 5.678 2.906 ( -4.986 2.537 -3.677) 6.694 3.035 ( -5.570 1.387 -0.909) 5.812 3.112 ( 3.549 7.937 2.280) 8.988 3.434 ( -4.317 1.670 -0.406) 4.647 3.493 ( 0.922 6.507 0.937) 6.639 3.825 ( 3.941 4.211 5.535) 7.994 3.895 ( 4.500 2.855 -1.218) 5.467 4.039 ( -0.526 2.999 -6.380) 7.069 4.107 ( 0.318 1.071 2.933) 3.139 4.176 ( 0.448 -4.522 -1.224) 4.706 4.297 ( 1.764 -1.669 -0.543) 2.488 4.334 ( -1.117 -2.550 2.251) 3.580 4.414 ( -1.595 -0.798 -0.446) 1.838 6.372 ( 1.175 -0.110 -1.092) 1.608 6.450 ( 1.576 0.120 1.823) 2.413 7.008 ( -2.765 -3.358 -0.877) 4.438 7.310 ( 3.189 -0.824 2.894) 4.384 7.447 ( -3.464 -3.552 -5.403) 7.336 7.676 ( 2.848 -13.071 2.179) 13.554 7.797 ( -3.510 -12.366 -1.771) 12.976 7.995 ( 2.713 -16.414 1.166) 16.678 8.089 ( 0.167 -16.153 1.414) 16.215 8.210 ( 2.393 -2.552 -0.558) 3.543 8.298 ( 4.398 -6.319 3.731) 8.555 8.410 ( -0.348 -7.615 -1.161) 7.711 8.473 ( -1.666 -9.368 0.280) 9.519 8.613 ( -3.250 -9.688 0.052) 10.218 8.665 ( -3.003 -7.272 -2.744) 8.332 8.704 ( 1.541 -4.435 3.194) 5.678 8.814 ( -3.044 -1.475 -3.011) 4.528 8.937 ( 2.381 -3.208 -2.363) 4.641 8.993 ( -1.314 -3.200 4.631) 5.780 9.109 ( -2.617 6.078 4.930) 8.252 9.151 ( 1.640 6.777 -4.012) 8.045 9.264 ( -1.029 3.832 2.114) 4.496 9.322 ( -2.826 -3.092 -4.428) 6.095 9.411 ( -4.007 -1.834 0.926) 4.503 9.549 ( -5.513 0.609 -6.778) 8.758 9.680 ( -2.470 3.736 -1.112) 4.615 9.804 ( -1.086 -2.513 -1.849) 3.304 9.864 ( 2.902 4.685 4.347) 7.019 9.971 ( 0.093 6.252 -1.800) 6.507 10.082 ( -1.357 2.016 -2.616) 3.571 10.317 ( 1.818 4.056 3.978) 5.965 10.379 ( 1.725 4.042 2.234) 4.930 10.481 ( -0.757 7.704 0.065) 7.741 10.659 ( -0.363 1.777 -6.295) 6.551 10.704 ( 2.482 6.411 4.475) 8.203 10.922 ( 3.431 4.687 -3.828) 6.957 11.061 ( -3.612 4.626 5.595) 8.108 11.101 ( 6.124 0.069 1.421) 6.288 11.184 ( 1.165 1.211 -0.028) 1.681 11.222 ( 0.378 1.933 3.672) 4.167 11.297 ( 0.747 1.153 3.187) 3.471 11.396 ( 2.672 6.751 -5.543) 9.135 11.753 ( -2.733 0.550 -1.952) 3.403 11.920 ( 1.884 1.445 -1.211) 2.665 11.970 ( 1.301 -3.852 1.343) 4.282 12.068 ( -0.430 -0.409 2.552) 2.620 12.127 ( -3.570 1.481 -2.859) 4.808 12.359 ( 0.682 3.917 0.136) 3.979 12.642 ( -1.296 5.002 -0.584) 5.200 12.691 ( 1.093 5.046 0.946) 5.249 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.245 ( -1.492 7.703 -2.263) 8.166 2.377 ( -0.093 10.026 0.660) 10.048 2.418 ( 1.745 -0.438 0.503) 1.868 2.472 ( 0.174 -0.141 -0.365) 0.428 2.566 ( 6.559 -4.335 0.342) 7.869 2.647 ( 3.522 -1.626 1.475) 4.150 2.699 ( 1.075 -2.179 1.268) 2.741 2.782 ( -7.162 -1.927 -2.907) 7.966 2.867 ( 2.277 -2.797 0.124) 3.609 2.937 ( 0.001 -3.410 1.123) 3.591 2.995 ( -4.354 -2.469 1.766) 5.308 3.017 ( -3.055 0.159 -1.429) 3.377 3.352 ( -0.012 3.909 -2.022) 4.402 3.452 ( -3.171 -3.346 -0.023) 4.610 3.703 ( 2.665 14.721 0.331) 14.964 3.876 ( 1.779 1.912 0.681) 2.699 3.953 ( -0.816 0.674 -0.190) 1.075 4.177 ( 3.603 -3.019 0.104) 4.702 4.261 ( -0.661 -4.698 0.381) 4.760 4.321 ( 2.185 1.062 1.041) 2.643 4.370 ( -0.843 -1.295 0.685) 1.690 4.399 ( -1.603 0.323 -1.239) 2.052 6.361 ( 0.137 1.391 -0.218) 1.415 6.478 ( 1.537 -0.720 0.972) 1.956 7.032 ( -2.307 -2.312 -0.886) 3.385 7.327 ( 2.064 2.712 2.057) 3.981 7.446 ( -2.277 -1.592 -3.364) 4.363 7.867 ( 2.407 -5.372 3.057) 6.632 7.969 ( -1.952 -6.360 -1.496) 6.819 8.196 ( 4.458 2.157 1.936) 5.318 8.379 ( -0.300 -15.466 0.549) 15.478 8.424 ( 0.944 -17.380 -0.138) 17.406 8.507 ( -0.139 -2.579 -0.988) 2.766 8.538 ( 2.960 -9.679 0.820) 10.154 8.572 ( -3.234 -5.474 -0.643) 6.391 8.640 ( -0.934 0.617 -1.276) 1.698 8.725 ( 3.302 1.420 -0.992) 3.729 8.791 ( -2.465 3.556 1.663) 4.636 8.830 ( -1.134 -7.404 0.770) 7.530 8.900 ( -3.945 7.907 -0.774) 8.870 8.947 ( -3.716 6.069 0.532) 7.136 8.988 ( -0.021 2.203 -3.447) 4.091 9.106 ( 3.913 0.141 3.678) 5.372 9.236 ( 0.389 -2.801 -0.211) 2.836 9.320 ( 1.891 0.042 -1.755) 2.580 9.475 ( -2.416 -3.153 5.163) 6.514 9.524 ( -2.257 -4.609 -7.415) 9.018 9.604 ( -2.920 0.828 -1.045) 3.210 9.691 ( 0.365 13.243 0.901) 13.279 9.790 ( -2.801 0.037 1.429) 3.144 10.027 ( 3.288 -6.125 -1.295) 7.071 10.062 ( 0.572 -2.621 -0.825) 2.807 10.146 ( -1.788 13.067 -1.466) 13.271 10.299 ( 2.239 0.840 0.796) 2.520 10.489 ( 0.799 -0.461 7.142) 7.201 10.598 ( -1.920 0.583 -7.931) 8.181 10.667 ( 1.486 2.068 4.395) 5.079 10.818 ( -0.486 6.032 -4.319) 7.434 10.971 ( -2.937 1.991 3.381) 4.901 11.076 ( 0.537 4.485 -2.116) 4.988 11.200 ( 3.270 -0.046 3.883) 5.076 11.246 ( 2.313 -0.139 5.173) 5.668 11.305 ( 0.988 2.322 -3.292) 4.148 11.314 ( 1.169 -0.285 -1.863) 2.218 11.723 ( -1.327 0.001 -0.479) 1.411 11.880 ( -1.337 1.798 -0.305) 2.262 12.009 ( 0.620 1.430 -0.348) 1.596 12.083 ( 0.496 -0.022 0.032) 0.498 12.135 ( -1.335 -4.425 -0.359) 4.636 12.301 ( 0.578 2.087 0.164) 2.171 12.558 ( -0.631 2.458 -0.147) 2.542 12.639 ( 0.696 1.298 0.534) 1.567 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.960 ( -0.000 19.439 -0.000) 19.439 2.033 ( -0.000 22.281 -0.000) 22.281 2.397 ( -0.000 2.587 -0.000) 2.587 2.499 ( 0.000 -0.288 0.000) 0.288 2.692 ( 0.000 -5.417 0.000) 5.417 2.723 ( -0.000 2.459 -0.000) 2.459 2.748 ( 0.000 -7.448 0.000) 7.448 2.814 ( 0.000 -2.676 0.000) 2.676 2.924 ( -0.000 3.722 -0.000) 3.722 2.936 ( 0.000 -5.556 0.000) 5.556 3.031 ( 0.000 -5.951 0.000) 5.951 3.046 ( -0.000 8.097 -0.000) 8.097 3.324 ( -0.000 1.783 -0.000) 1.783 3.398 ( 0.000 -0.766 0.000) 0.766 3.620 ( 0.000 -7.238 0.000) 7.238 3.856 ( -0.000 1.055 -0.000) 1.055 3.961 ( 0.000 -0.963 0.000) 0.963 4.232 ( 0.000 -0.922 0.000) 0.922 4.292 ( -0.000 1.637 -0.000) 1.637 4.341 ( -0.000 3.406 -0.000) 3.406 4.355 ( 0.000 -3.922 0.000) 3.922 4.392 ( -0.000 0.178 -0.000) 0.178 6.333 ( -0.000 1.321 -0.000) 1.321 6.492 ( -0.000 0.323 -0.000) 0.323 7.058 ( 0.000 -1.829 0.000) 1.829 7.262 ( -0.000 5.391 -0.000) 5.391 7.443 ( -0.000 0.495 -0.000) 0.495 7.961 ( -0.000 3.508 -0.000) 3.508 7.970 ( 0.000 -1.444 0.000) 1.444 8.122 ( -0.000 7.231 -0.000) 7.231 8.277 ( -0.000 18.765 -0.000) 18.765 8.441 ( -0.000 13.945 -0.000) 13.945 8.505 ( -0.000 2.466 -0.000) 2.466 8.557 ( -0.000 14.720 -0.000) 14.720 8.683 ( 0.000 -2.578 0.000) 2.578 8.734 ( 0.000 -9.271 0.000) 9.271 8.772 ( 0.000 -3.524 0.000) 3.524 8.804 ( 0.000 -5.909 0.000) 5.909 8.823 ( -0.000 3.775 -0.000) 3.775 8.878 ( 0.000 -6.568 0.000) 6.568 8.918 ( -0.000 4.726 -0.000) 4.726 8.995 ( 0.000 -14.769 0.000) 14.769 9.170 ( 0.000 -4.224 0.000) 4.224 9.276 ( -0.000 9.212 -0.000) 9.212 9.321 ( 0.000 -4.329 0.000) 4.329 9.402 ( -0.000 1.133 -0.000) 1.133 9.568 ( 0.000 -0.835 0.000) 0.835 9.589 ( -0.000 1.599 -0.000) 1.599 9.652 ( 0.000 -6.583 0.000) 6.583 9.798 ( 0.000 -2.020 0.000) 2.020 9.919 ( -0.000 7.374 -0.000) 7.374 10.130 ( 0.000 -5.469 0.000) 5.469 10.196 ( 0.000 -6.685 0.000) 6.685 10.331 ( 0.000 -1.303 0.000) 1.303 10.501 ( -0.000 0.419 -0.000) 0.419 10.569 ( 0.000 -1.780 0.000) 1.780 10.695 ( 0.000 -2.817 0.000) 2.817 10.717 ( -0.000 1.481 -0.000) 1.481 10.961 ( 0.000 -0.858 0.000) 0.858 10.996 ( -0.000 3.189 -0.000) 3.189 11.227 ( -0.000 0.711 -0.000) 0.711 11.283 ( 0.000 -1.571 0.000) 1.571 11.289 ( -0.000 1.167 -0.000) 1.167 11.305 ( 0.000 -1.492 0.000) 1.492 11.728 ( 0.000 -1.054 0.000) 1.054 11.846 ( -0.000 1.136 -0.000) 1.136 11.977 ( -0.000 1.356 -0.000) 1.356 12.043 ( -0.000 3.959 -0.000) 3.959 12.217 ( 0.000 -4.351 0.000) 4.351 12.306 ( 0.000 -1.691 0.000) 1.691 12.549 ( 0.000 -1.730 0.000) 1.730 12.667 ( 0.000 -3.733 0.000) 3.733 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.513 ( 19.825 -0.000 10.237) 22.312 1.517 ( 19.403 -0.000 9.046) 21.408 2.177 ( 7.834 -0.000 -16.866) 18.597 2.241 ( 9.266 -0.000 -13.470) 16.350 2.516 ( 28.564 -0.000 14.653) 32.103 2.658 ( -6.578 0.000 5.951) 8.871 2.745 ( -10.395 0.000 -4.392) 11.285 2.754 ( -10.365 0.000 3.905) 11.077 2.813 ( -2.201 0.000 1.091) 2.456 3.126 ( -1.356 0.000 3.088) 3.372 3.194 ( -1.544 0.000 -0.997) 1.838 3.303 ( -3.390 0.000 -0.780) 3.479 3.531 ( 0.844 -0.000 -6.711) 6.764 3.905 ( 0.635 -0.000 1.603) 1.724 3.946 ( -0.582 0.000 0.143) 0.599 4.056 ( -0.184 0.000 1.294) 1.307 4.060 ( -1.071 0.000 0.529) 1.194 4.097 ( -0.568 0.000 -1.797) 1.884 4.134 ( -3.026 0.000 -5.317) 6.117 4.192 ( -1.128 0.000 -0.371) 1.187 4.192 ( -0.696 0.000 1.354) 1.523 4.320 ( 2.265 -0.000 2.419) 3.313 6.366 ( -1.558 0.000 -1.508) 2.169 6.450 ( 3.188 -0.000 1.275) 3.433 6.824 ( 1.337 -0.000 0.275) 1.365 6.943 ( 1.378 -0.000 1.159) 1.800 7.045 ( 2.892 -0.000 2.743) 3.986 7.259 ( -0.900 0.000 -4.489) 4.578 7.400 ( 1.072 -0.000 1.741) 2.045 7.608 ( -1.893 0.000 -2.583) 3.202 7.686 ( 2.910 -0.000 -2.634) 3.925 7.973 ( -4.995 0.000 -1.385) 5.184 8.062 ( -1.836 0.000 1.994) 2.710 8.127 ( 11.731 -0.000 7.764) 14.067 8.191 ( -7.514 0.000 -2.330) 7.867 8.251 ( -3.741 0.000 -3.103) 4.860 8.387 ( -1.677 0.000 -3.455) 3.841 8.643 ( 7.103 -0.000 6.370) 9.541 8.707 ( -4.180 0.000 -1.012) 4.301 8.733 ( -0.672 0.000 -4.870) 4.916 8.853 ( -7.756 0.000 3.021) 8.324 8.969 ( -1.142 0.000 2.757) 2.984 9.173 ( -6.458 0.000 11.940) 13.574 9.336 ( -2.385 0.000 -13.619) 13.826 9.390 ( 8.118 -0.000 -8.222) 11.555 9.458 ( -9.170 0.000 1.864) 9.358 9.620 ( -0.251 0.000 -3.368) 3.377 9.766 ( -9.713 0.000 -10.067) 13.989 9.863 ( 13.237 -0.000 12.406) 18.142 10.066 ( -1.569 0.000 0.558) 1.665 10.089 ( -2.885 0.000 -2.834) 4.044 10.165 ( -6.249 0.000 3.652) 7.238 10.338 ( 1.129 -0.000 -0.216) 1.150 10.491 ( -0.354 0.000 1.436) 1.479 10.725 ( -1.702 0.000 0.687) 1.835 10.888 ( 2.508 -0.000 -1.348) 2.847 11.044 ( 4.510 -0.000 -2.827) 5.323 11.051 ( 3.209 -0.000 0.067) 3.210 11.056 ( 4.731 -0.000 2.774) 5.485 11.108 ( 4.556 -0.000 -4.257) 6.236 11.263 ( 2.405 -0.000 5.067) 5.609 11.353 ( 1.105 -0.000 0.604) 1.260 11.420 ( -1.833 0.000 3.542) 3.988 11.715 ( -4.188 0.000 3.427) 5.411 11.756 ( -2.183 0.000 -0.661) 2.281 11.832 ( 0.708 -0.000 -5.689) 5.733 11.931 ( 7.145 -0.000 -1.634) 7.330 12.093 ( -2.694 0.000 6.090) 6.659 12.435 ( -6.034 0.000 -4.876) 7.758 12.465 ( 1.926 -0.000 1.657) 2.541 12.815 ( 0.371 -0.000 -0.366) 0.521 12.887 ( 1.208 -0.000 0.527) 1.318 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.769 ( 15.986 -7.085 6.001) 18.487 1.812 ( 14.915 -10.206 8.860) 20.127 2.194 ( 4.895 -2.621 -12.896) 14.041 2.324 ( 8.166 -5.921 -10.764) 14.751 2.609 ( -5.867 2.893 4.322) 7.841 2.622 ( -7.478 2.301 0.691) 7.854 2.671 ( -5.757 -3.000 0.194) 6.494 2.722 ( -1.987 2.419 2.817) 4.212 2.886 ( 9.433 -3.794 4.770) 11.231 3.052 ( -0.420 7.399 1.844) 7.637 3.192 ( 1.821 1.211 0.321) 2.210 3.278 ( -1.391 -0.327 1.519) 2.085 3.494 ( -0.943 1.532 -3.982) 4.370 3.810 ( 0.405 8.594 0.093) 8.604 3.940 ( 0.898 0.406 1.036) 1.430 4.004 ( -1.157 3.932 -0.915) 4.199 4.045 ( -0.207 0.281 -4.306) 4.320 4.077 ( -1.620 1.142 1.284) 2.362 4.139 ( -2.319 -3.413 -2.014) 4.591 4.215 ( 0.222 -3.419 0.543) 3.469 4.228 ( -0.780 -1.904 1.038) 2.304 4.356 ( 1.363 -1.122 1.260) 2.169 6.353 ( -0.347 -0.215 -1.041) 1.118 6.475 ( 2.623 0.670 1.378) 3.038 6.868 ( 0.250 -3.156 0.231) 3.174 7.052 ( 1.459 -9.538 0.959) 9.697 7.155 ( -0.005 -8.343 1.331) 8.449 7.276 ( 0.959 -3.528 -1.195) 3.847 7.464 ( -1.005 -5.694 -0.368) 5.794 7.613 ( -0.406 -3.316 -3.041) 4.518 7.715 ( 1.532 -2.851 -1.538) 3.583 8.020 ( -2.108 -7.981 -0.390) 8.264 8.113 ( -0.752 -5.058 2.043) 5.507 8.160 ( -3.870 -4.564 -2.171) 6.365 8.247 ( 3.405 -1.937 2.006) 4.401 8.267 ( 4.222 -2.222 3.222) 5.757 8.397 ( -1.486 -3.679 -1.996) 4.442 8.641 ( -7.518 -1.531 -1.939) 7.914 8.738 ( 3.751 -1.251 1.006) 4.080 8.781 ( 4.719 -3.318 0.771) 5.820 8.843 ( -4.846 -3.074 5.113) 7.686 9.018 ( -0.716 -4.445 1.726) 4.821 9.192 ( -6.033 -1.984 12.473) 13.997 9.276 ( 1.737 -0.599 -14.500) 14.616 9.369 ( -7.539 1.794 4.655) 9.040 9.408 ( 3.717 0.482 -11.748) 12.331 9.615 ( -5.295 0.098 -3.062) 6.117 9.626 ( -5.260 -0.267 -8.051) 9.621 9.956 ( 3.463 4.159 1.952) 5.754 10.024 ( 1.908 2.996 2.828) 4.541 10.085 ( -2.347 -0.983 1.642) 3.028 10.122 ( -3.781 0.849 3.823) 5.444 10.361 ( 3.537 -0.558 0.415) 3.604 10.468 ( -0.254 2.492 1.450) 2.894 10.702 ( -3.463 -0.439 -1.648) 3.860 10.839 ( 0.733 6.167 -1.632) 6.422 11.008 ( 2.066 5.855 0.335) 6.218 11.046 ( 2.143 1.242 -0.613) 2.552 11.110 ( 8.228 2.435 -2.000) 8.811 11.142 ( 5.725 0.252 2.211) 6.143 11.276 ( 1.176 2.096 3.376) 4.144 11.335 ( -1.458 2.493 0.102) 2.890 11.396 ( -0.904 2.250 3.024) 3.876 11.648 ( -1.260 4.615 0.533) 4.814 11.755 ( -2.180 -0.651 -0.529) 2.336 11.827 ( 0.251 -1.898 -2.811) 3.401 11.970 ( 6.426 1.162 -2.151) 6.875 12.082 ( -3.791 0.758 5.409) 6.649 12.310 ( -4.590 5.507 -3.560) 8.005 12.470 ( 1.454 1.634 0.776) 2.321 12.798 ( -0.257 2.160 -0.495) 2.231 12.869 ( 0.850 2.959 0.506) 3.120 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.063 ( 8.604 -10.165 3.497) 13.769 2.171 ( 11.075 -12.067 5.323) 17.222 2.241 ( 1.789 -4.341 -5.898) 7.539 2.471 ( 3.084 -1.079 -7.857) 8.509 2.505 ( -4.191 -4.735 3.650) 7.301 2.575 ( -3.179 -1.224 -3.617) 4.969 2.641 ( -9.983 -0.944 1.588) 10.152 2.735 ( -0.052 -5.237 1.254) 5.385 2.884 ( -0.297 10.446 0.507) 10.462 2.955 ( 1.873 2.896 1.425) 3.732 3.111 ( -1.096 7.284 -0.968) 7.430 3.290 ( 3.547 4.900 2.433) 6.520 3.433 ( -2.825 2.250 -0.081) 3.612 3.666 ( 2.415 8.440 0.728) 8.809 3.913 ( 0.254 1.847 3.437) 3.910 3.978 ( 3.689 2.394 -0.518) 4.428 4.002 ( 0.072 -1.579 -6.728) 6.911 4.080 ( -4.815 -2.473 2.161) 5.829 4.176 ( 3.899 1.166 -4.044) 5.737 4.227 ( -4.132 -3.115 3.223) 6.096 4.307 ( 1.637 -3.537 0.921) 4.005 4.382 ( -0.543 -0.693 -0.090) 0.885 6.364 ( 0.611 -1.105 -0.549) 1.376 6.478 ( 1.070 1.109 0.961) 1.816 6.927 ( -1.044 -3.290 -0.202) 3.458 7.271 ( 1.091 -8.047 1.912) 8.342 7.303 ( -1.408 -8.802 -2.332) 9.214 7.422 ( 1.540 -11.456 1.275) 11.629 7.575 ( -1.667 -8.407 -1.838) 8.766 7.735 ( 0.818 -11.340 -0.849) 11.401 7.836 ( 0.257 -10.307 0.026) 10.310 8.174 ( 0.833 -7.710 1.136) 7.838 8.227 ( 3.747 -4.519 1.581) 6.080 8.290 ( -0.215 -9.012 -0.628) 9.037 8.337 ( -3.784 -9.779 -2.466) 10.772 8.367 ( 4.032 -3.005 4.630) 6.836 8.465 ( -3.142 -6.307 -1.649) 7.237 8.631 ( -5.368 -4.639 -1.732) 7.303 8.793 ( 2.509 -1.086 0.959) 2.898 8.864 ( -1.386 -4.335 1.039) 4.668 8.940 ( 3.973 -4.020 2.854) 6.332 9.120 ( 0.481 -5.577 0.554) 5.625 9.212 ( -4.109 1.037 7.512) 8.625 9.258 ( 0.957 0.523 -10.864) 10.919 9.310 ( -3.226 -0.005 8.433) 9.030 9.360 ( -0.227 0.861 -9.046) 9.089 9.491 ( -5.520 1.655 -5.578) 8.020 9.657 ( -0.595 -3.151 -1.514) 3.546 9.848 ( -0.507 7.013 0.127) 7.033 9.973 ( 1.980 4.150 0.275) 4.607 10.045 ( -5.175 1.660 -0.538) 5.461 10.104 ( 0.985 3.549 2.680) 4.555 10.396 ( 1.628 1.952 1.063) 2.755 10.455 ( 3.838 -0.238 4.522) 5.936 10.651 ( -2.245 3.543 -4.158) 5.906 10.675 ( -1.166 9.011 -1.784) 9.259 10.891 ( 2.118 8.113 1.935) 8.606 11.030 ( 4.586 3.645 -0.553) 5.885 11.119 ( 1.855 2.194 -2.409) 3.750 11.146 ( -0.218 2.533 3.692) 4.483 11.236 ( -0.054 3.224 1.068) 3.396 11.274 ( 0.333 1.795 0.806) 1.995 11.361 ( 0.777 2.633 2.653) 3.818 11.527 ( 0.332 7.302 -2.567) 7.748 11.738 ( -1.251 0.413 -0.586) 1.441 11.892 ( 0.463 -4.958 0.176) 4.983 11.965 ( 1.792 2.439 -1.684) 3.464 12.069 ( -0.931 -0.208 2.697) 2.860 12.160 ( -2.531 5.463 -1.809) 6.286 12.434 ( 0.551 3.329 0.232) 3.382 12.726 ( -0.510 4.768 -0.373) 4.810 12.800 ( 0.520 5.058 0.424) 5.103 ======================= Grid point 33 (23/115) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.246 ( 0.000 -4.346 0.000) 4.346 2.354 ( 0.000 -8.388 0.000) 8.388 2.411 ( 0.000 -0.415 0.000) 0.415 2.503 ( 0.000 -12.529 0.000) 12.529 2.507 ( -0.000 2.423 -0.000) 2.423 2.652 ( 0.000 -5.046 0.000) 5.046 2.678 ( -0.000 10.920 -0.000) 10.920 2.740 ( 0.000 -12.356 0.000) 12.356 2.847 ( -0.000 9.703 -0.000) 9.703 2.851 ( 0.000 -6.005 0.000) 6.005 2.954 ( -0.000 6.321 -0.000) 6.321 3.154 ( -0.000 9.921 -0.000) 9.921 3.387 ( -0.000 0.494 -0.000) 0.494 3.510 ( -0.000 9.063 -0.000) 9.063 3.919 ( -0.000 2.929 -0.000) 2.929 3.943 ( 0.000 -0.616 0.000) 0.616 3.963 ( -0.000 8.343 -0.000) 8.343 4.118 ( 0.000 -4.394 0.000) 4.394 4.177 ( 0.000 -2.924 0.000) 2.924 4.306 ( 0.000 -4.524 0.000) 4.524 4.366 ( -0.000 1.279 -0.000) 1.279 4.373 ( 0.000 -1.854 0.000) 1.854 6.380 ( -0.000 0.121 -0.000) 0.121 6.473 ( 0.000 -0.212 0.000) 0.212 6.974 ( 0.000 -2.647 0.000) 2.647 7.372 ( 0.000 -0.198 0.000) 0.198 7.376 ( 0.000 -3.816 0.000) 3.816 7.729 ( 0.000 -17.423 0.000) 17.423 7.733 ( 0.000 -9.167 0.000) 9.167 8.027 ( 0.000 -18.709 0.000) 18.709 8.097 ( 0.000 -16.570 0.000) 16.570 8.265 ( -0.000 0.394 -0.000) 0.394 8.368 ( 0.000 -10.653 0.000) 10.653 8.401 ( 0.000 -3.374 0.000) 3.374 8.438 ( 0.000 -6.679 0.000) 6.679 8.565 ( 0.000 -5.512 0.000) 5.512 8.605 ( 0.000 -14.894 0.000) 14.894 8.717 ( 0.000 -6.889 0.000) 6.889 8.805 ( -0.000 1.988 -0.000) 1.988 8.934 ( 0.000 -2.861 0.000) 2.861 9.022 ( 0.000 -1.093 0.000) 1.093 9.101 ( -0.000 8.238 -0.000) 8.238 9.170 ( -0.000 3.630 -0.000) 3.630 9.264 ( -0.000 4.646 -0.000) 4.646 9.275 ( 0.000 -5.700 0.000) 5.700 9.401 ( 0.000 -4.294 0.000) 4.294 9.429 ( 0.000 -0.323 0.000) 0.323 9.648 ( -0.000 4.399 -0.000) 4.399 9.772 ( 0.000 -0.376 0.000) 0.376 9.926 ( -0.000 8.818 -0.000) 8.818 9.958 ( 0.000 -1.469 0.000) 1.469 10.042 ( -0.000 2.266 -0.000) 2.266 10.351 ( -0.000 3.185 -0.000) 3.185 10.398 ( -0.000 13.213 -0.000) 13.213 10.551 ( -0.000 0.113 -0.000) 0.113 10.563 ( -0.000 2.821 -0.000) 2.821 10.771 ( -0.000 6.463 -0.000) 6.463 10.952 ( -0.000 8.565 -0.000) 8.565 11.006 ( -0.000 3.053 -0.000) 3.053 11.163 ( -0.000 4.671 -0.000) 4.671 11.191 ( 0.000 -3.173 0.000) 3.173 11.265 ( -0.000 0.502 -0.000) 0.502 11.334 ( -0.000 1.518 -0.000) 1.518 11.384 ( -0.000 6.696 -0.000) 6.696 11.720 ( -0.000 0.533 -0.000) 0.533 11.916 ( -0.000 2.624 -0.000) 2.624 12.002 ( 0.000 -6.008 0.000) 6.008 12.060 ( -0.000 3.441 -0.000) 3.441 12.090 ( 0.000 -1.271 0.000) 1.271 12.365 ( -0.000 4.044 -0.000) 4.044 12.628 ( -0.000 4.978 -0.000) 4.978 12.706 ( -0.000 4.948 -0.000) 4.948 ======================= Grid point 41 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.846 ( 10.584 -0.000 4.929) 11.676 1.847 ( 9.824 -0.000 5.191) 11.111 2.160 ( 2.665 -0.000 -7.414) 7.878 2.290 ( 5.858 -0.000 -6.658) 8.868 2.520 ( -8.109 0.000 -3.980) 9.033 2.626 ( -2.200 0.000 3.695) 4.300 2.629 ( -6.464 0.000 3.636) 7.417 2.736 ( -4.198 0.000 -1.943) 4.626 2.982 ( 11.421 -0.000 4.937) 12.443 3.155 ( 2.202 -0.000 3.179) 3.867 3.207 ( 1.085 -0.000 1.565) 1.904 3.240 ( -1.749 0.000 -1.525) 2.321 3.491 ( -0.177 0.000 -3.120) 3.125 3.878 ( -2.969 0.000 -2.426) 3.834 3.938 ( -0.829 0.000 0.846) 1.184 4.036 ( -1.324 0.000 -1.355) 1.894 4.051 ( -0.991 0.000 0.644) 1.181 4.089 ( 0.585 -0.000 -0.754) 0.955 4.101 ( 1.840 -0.000 2.177) 2.850 4.171 ( -1.767 0.000 -1.632) 2.405 4.178 ( -0.361 0.000 -0.047) 0.364 4.366 ( 1.126 -0.000 0.922) 1.456 6.345 ( -0.221 0.000 -0.419) 0.474 6.507 ( 1.779 -0.000 0.781) 1.943 6.844 ( 0.570 -0.000 0.210) 0.608 6.968 ( 0.559 -0.000 0.484) 0.739 7.076 ( -0.632 0.000 0.444) 0.773 7.250 ( 1.665 -0.000 -0.266) 1.686 7.407 ( -0.669 0.000 0.066) 0.672 7.565 ( -1.054 0.000 -1.431) 1.778 7.697 ( 1.074 -0.000 -1.978) 2.251 7.932 ( 0.548 -0.000 0.861) 1.020 8.058 ( -0.438 0.000 1.092) 1.177 8.062 ( -4.523 0.000 -2.433) 5.136 8.248 ( 3.677 -0.000 0.311) 3.690 8.327 ( 2.392 -0.000 0.576) 2.460 8.367 ( 2.571 -0.000 3.284) 4.171 8.521 ( -9.417 0.000 -2.905) 9.855 8.742 ( 2.755 -0.000 -3.047) 4.108 8.790 ( -4.410 0.000 4.442) 6.259 8.849 ( 8.786 -0.000 5.643) 10.442 8.982 ( -0.404 0.000 0.223) 0.462 9.176 ( -5.937 0.000 13.725) 14.954 9.221 ( 3.527 -0.000 -15.466) 15.863 9.338 ( -7.774 0.000 8.514) 11.529 9.389 ( 1.883 -0.000 -14.844) 14.963 9.533 ( -5.310 0.000 -5.084) 7.351 9.599 ( -0.137 0.000 -0.827) 0.838 10.012 ( 0.038 -0.000 -0.848) 0.849 10.022 ( -2.016 0.000 -0.787) 2.164 10.097 ( -3.369 0.000 1.288) 3.607 10.154 ( 4.006 -0.000 7.398) 8.412 10.393 ( 5.728 -0.000 0.803) 5.784 10.496 ( -0.154 0.000 0.761) 0.776 10.634 ( -6.322 0.000 -2.653) 6.856 10.897 ( 0.137 -0.000 -0.956) 0.966 11.075 ( 0.624 -0.000 -0.528) 0.817 11.081 ( 2.653 -0.000 0.995) 2.834 11.189 ( 3.814 -0.000 0.307) 3.826 11.197 ( 6.750 -0.000 -1.124) 6.843 11.316 ( 0.382 -0.000 1.682) 1.725 11.339 ( -3.167 0.000 0.530) 3.211 11.418 ( -0.393 0.000 1.002) 1.076 11.683 ( -2.112 0.000 2.424) 3.215 11.740 ( 0.084 -0.000 0.407) 0.415 11.796 ( 0.193 -0.000 -3.442) 3.447 12.022 ( 5.499 -0.000 -3.030) 6.279 12.079 ( -4.272 0.000 4.913) 6.511 12.318 ( -3.131 0.000 -2.291) 3.880 12.499 ( 0.845 -0.000 0.495) 0.979 12.819 ( 0.206 -0.000 -0.126) 0.242 12.903 ( 0.405 -0.000 0.167) 0.438 ======================= Grid point 42 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.962 ( 0.000 -5.921 0.000) 5.921 2.004 ( 0.000 -10.331 0.000) 10.331 2.174 ( 0.000 -2.030 0.000) 2.030 2.357 ( 0.000 -5.769 0.000) 5.769 2.502 ( 0.000 -2.983 0.000) 2.983 2.548 ( -0.000 5.480 -0.000) 5.480 2.656 ( 0.000 -3.210 0.000) 3.210 2.660 ( -0.000 4.754 -0.000) 4.754 3.017 ( -0.000 1.885 -0.000) 1.885 3.062 ( -0.000 8.168 -0.000) 8.168 3.204 ( -0.000 2.923 -0.000) 2.923 3.317 ( 0.000 -4.466 0.000) 4.466 3.464 ( -0.000 1.948 -0.000) 1.948 3.809 ( -0.000 4.975 -0.000) 4.975 3.957 ( 0.000 -2.075 0.000) 2.075 3.959 ( -0.000 4.781 -0.000) 4.781 4.035 ( 0.000 -0.466 0.000) 0.466 4.066 ( -0.000 5.183 -0.000) 5.183 4.118 ( 0.000 -3.752 0.000) 3.752 4.221 ( 0.000 -6.007 0.000) 6.007 4.221 ( 0.000 -0.673 0.000) 0.673 4.375 ( 0.000 -0.285 0.000) 0.285 6.347 ( 0.000 -0.575 0.000) 0.575 6.507 ( -0.000 0.952 -0.000) 0.952 6.870 ( 0.000 -2.286 0.000) 2.286 7.070 ( 0.000 -10.134 0.000) 10.134 7.140 ( 0.000 -6.596 0.000) 6.596 7.305 ( 0.000 -4.762 0.000) 4.762 7.444 ( 0.000 -4.363 0.000) 4.363 7.593 ( 0.000 -4.271 0.000) 4.271 7.720 ( 0.000 -2.988 0.000) 2.988 8.040 ( 0.000 -10.114 0.000) 10.114 8.069 ( 0.000 -4.019 0.000) 4.019 8.126 ( 0.000 -6.781 0.000) 6.781 8.274 ( 0.000 -0.260 0.000) 0.260 8.360 ( 0.000 -3.107 0.000) 3.107 8.395 ( 0.000 -0.113 0.000) 0.113 8.507 ( 0.000 -3.973 0.000) 3.973 8.780 ( 0.000 -3.249 0.000) 3.249 8.788 ( 0.000 -0.894 0.000) 0.894 8.926 ( 0.000 -1.490 0.000) 1.490 9.014 ( 0.000 -4.554 0.000) 4.554 9.209 ( 0.000 -2.391 0.000) 2.391 9.210 ( 0.000 -0.907 0.000) 0.907 9.326 ( -0.000 1.348 -0.000) 1.348 9.340 ( -0.000 0.020 -0.000) 0.020 9.490 ( -0.000 1.415 -0.000) 1.415 9.608 ( 0.000 -1.340 0.000) 1.340 9.964 ( -0.000 4.744 -0.000) 4.744 10.017 ( 0.000 -0.354 0.000) 0.354 10.058 ( -0.000 2.830 -0.000) 2.830 10.172 ( -0.000 1.701 -0.000) 1.701 10.451 ( 0.000 -1.997 0.000) 1.997 10.457 ( -0.000 3.096 -0.000) 3.096 10.622 ( 0.000 -1.857 0.000) 1.857 10.834 ( -0.000 6.434 -0.000) 6.434 11.026 ( -0.000 5.122 -0.000) 5.122 11.086 ( -0.000 0.915 -0.000) 0.915 11.189 ( -0.000 2.118 -0.000) 2.118 11.203 ( -0.000 2.641 -0.000) 2.641 11.286 ( -0.000 2.366 -0.000) 2.366 11.310 ( -0.000 1.904 -0.000) 1.904 11.407 ( -0.000 1.318 -0.000) 1.318 11.637 ( -0.000 4.517 -0.000) 4.517 11.740 ( -0.000 0.276 -0.000) 0.276 11.817 ( 0.000 -2.924 0.000) 2.924 12.020 ( -0.000 2.349 -0.000) 2.349 12.066 ( 0.000 -0.048 0.000) 0.048 12.249 ( -0.000 4.927 -0.000) 4.927 12.486 ( -0.000 1.840 -0.000) 1.840 12.795 ( -0.000 2.662 -0.000) 2.662 12.878 ( -0.000 2.842 -0.000) 2.842 ======================= Grid point 85 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.547 ( 3.561 -0.000 28.551) 28.772 0.563 ( -1.270 0.000 29.476) 29.503 0.933 ( -2.383 0.000 48.047) 48.106 1.976 ( -0.854 0.000 -18.989) 19.009 2.053 ( 1.327 -0.000 -19.639) 19.684 2.728 ( 0.845 -0.000 9.633) 9.670 2.932 ( -1.370 0.000 9.036) 9.139 3.002 ( 0.439 -0.000 -14.769) 14.776 3.135 ( 0.536 -0.000 -3.674) 3.713 3.139 ( -1.695 0.000 -1.144) 2.045 3.280 ( 2.037 -0.000 0.060) 2.038 3.420 ( -1.777 0.000 -1.675) 2.442 3.570 ( 1.084 -0.000 6.516) 6.605 3.855 ( -3.051 0.000 -0.643) 3.118 3.985 ( 2.047 -0.000 -2.366) 3.129 4.034 ( 1.913 -0.000 -2.403) 3.072 4.038 ( 0.275 -0.000 -3.077) 3.089 4.100 ( -0.047 0.000 -2.235) 2.235 4.185 ( -2.769 0.000 3.581) 4.526 4.219 ( 0.999 -0.000 -0.191) 1.017 4.250 ( 0.105 -0.000 0.362) 0.377 4.307 ( -0.943 0.000 1.413) 1.699 6.366 ( 0.430 -0.000 -0.706) 0.827 6.450 ( 0.653 -0.000 -2.747) 2.823 6.845 ( -3.340 0.000 6.417) 7.234 6.909 ( -1.997 0.000 4.333) 4.771 6.935 ( -1.580 0.000 1.437) 2.136 7.317 ( 1.070 -0.000 0.272) 1.105 7.353 ( -1.433 0.000 -6.224) 6.387 7.583 ( 3.643 -0.000 3.802) 5.266 7.639 ( -2.596 0.000 -0.985) 2.777 7.918 ( -8.394 0.000 -5.831) 10.220 8.152 ( 1.702 -0.000 1.031) 1.990 8.188 ( -0.824 0.000 0.242) 0.859 8.328 ( 13.351 -0.000 0.598) 13.364 8.384 ( -2.278 0.000 3.565) 4.231 8.561 ( 6.439 -0.000 -3.136) 7.162 8.771 ( -1.961 0.000 -4.186) 4.623 8.779 ( -6.629 0.000 2.722) 7.166 8.823 ( 10.675 -0.000 0.814) 10.706 8.859 ( -2.892 0.000 -5.331) 6.064 8.895 ( 5.840 -0.000 -1.391) 6.003 9.049 ( -8.394 0.000 -1.197) 8.479 9.252 ( 14.445 -0.000 -7.894) 16.461 9.450 ( -1.286 0.000 10.447) 10.525 9.626 ( -7.821 0.000 -3.646) 8.629 9.632 ( 4.057 -0.000 -2.575) 4.805 9.859 ( -4.749 0.000 0.787) 4.814 9.940 ( -2.866 0.000 8.315) 8.795 10.023 ( 3.242 -0.000 0.098) 3.243 10.087 ( -2.099 0.000 0.020) 2.099 10.236 ( 3.456 -0.000 3.689) 5.055 10.366 ( 3.569 -0.000 -3.131) 4.748 10.378 ( -4.470 0.000 -1.519) 4.721 10.690 ( -10.517 0.000 6.679) 12.459 10.792 ( 7.515 -0.000 3.556) 8.314 10.888 ( -1.100 0.000 -1.467) 1.834 11.037 ( -1.007 0.000 1.816) 2.077 11.074 ( -6.744 0.000 -3.409) 7.556 11.130 ( 2.613 -0.000 0.072) 2.614 11.175 ( 5.066 -0.000 0.707) 5.115 11.318 ( 2.399 -0.000 -7.963) 8.316 11.376 ( -4.214 0.000 1.665) 4.531 11.651 ( 2.435 -0.000 -8.863) 9.191 11.824 ( -1.608 0.000 0.937) 1.861 11.831 ( 0.487 -0.000 -1.394) 1.477 11.919 ( -0.887 0.000 6.978) 7.034 12.092 ( -1.897 0.000 10.477) 10.648 12.366 ( -4.511 0.000 -3.983) 6.018 12.514 ( 11.989 -0.000 -3.344) 12.447 12.808 ( 0.636 -0.000 0.369) 0.735 12.820 ( -0.506 0.000 0.042) 0.507 ======================= Grid point 86 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.885 ( 7.798 -16.671 20.467) 27.525 0.945 ( 8.222 -18.331 20.678) 28.831 1.465 ( 10.656 -27.121 33.623) 44.492 1.950 ( 3.082 -5.251 -19.114) 20.061 2.043 ( 3.411 -5.817 -20.324) 21.414 2.752 ( 0.804 2.396 7.042) 7.482 2.866 ( -2.380 2.978 3.452) 5.143 2.992 ( -1.714 -0.743 -7.224) 7.462 3.087 ( -3.007 1.860 -0.867) 3.641 3.156 ( 0.174 -1.341 -5.675) 5.834 3.210 ( -2.338 7.237 1.458) 7.743 3.367 ( -0.511 4.061 -2.575) 4.836 3.578 ( 0.356 2.248 6.815) 7.185 3.771 ( 0.047 5.467 -0.528) 5.493 3.950 ( -1.554 4.887 -2.182) 5.573 3.986 ( 3.155 2.375 -5.533) 6.798 4.039 ( 0.295 0.683 -1.159) 1.378 4.060 ( 2.021 1.660 -3.414) 4.301 4.200 ( -2.827 0.087 1.754) 3.328 4.237 ( -0.475 -2.237 1.775) 2.895 4.270 ( -0.056 -3.011 2.658) 4.017 4.369 ( -0.861 -4.061 -0.616) 4.197 6.363 ( 1.000 0.399 0.188) 1.093 6.429 ( -0.960 1.030 -2.786) 3.122 6.905 ( -2.741 -5.366 5.517) 8.169 6.988 ( -1.389 -6.587 3.432) 7.556 7.019 ( 0.693 -9.031 2.545) 9.408 7.366 ( -0.490 -7.034 -5.720) 9.080 7.453 ( 0.195 -10.539 -0.787) 10.570 7.620 ( 1.974 -0.954 2.532) 3.350 7.690 ( 3.659 -4.085 2.734) 6.128 7.827 ( -7.426 -1.764 -5.581) 9.456 8.177 ( 0.383 -4.812 2.616) 5.491 8.307 ( -3.860 -8.237 -1.182) 9.173 8.370 ( 4.179 -0.196 -0.022) 4.183 8.421 ( 2.058 -1.965 -0.326) 2.864 8.636 ( 5.545 -2.648 0.030) 6.145 8.710 ( -9.124 -0.681 1.250) 9.234 8.764 ( -11.244 -0.254 -3.240) 11.704 8.813 ( 0.122 -3.613 -4.165) 5.515 8.937 ( 9.289 -0.145 -7.600) 12.002 8.956 ( 7.077 -2.348 -1.291) 7.567 9.070 ( -1.071 -5.819 -0.625) 5.949 9.337 ( 5.080 -2.238 -4.743) 7.301 9.484 ( -2.875 -0.941 9.028) 9.521 9.569 ( -0.719 0.233 -2.951) 3.046 9.658 ( 3.210 -0.256 -2.774) 4.250 9.783 ( -3.434 5.384 4.665) 7.908 9.876 ( -7.424 3.238 3.369) 8.772 10.037 ( 3.347 2.284 -0.635) 4.102 10.089 ( -0.604 -1.156 2.210) 2.566 10.230 ( 3.655 4.902 5.080) 7.950 10.349 ( -1.347 0.258 -2.692) 3.021 10.398 ( 1.193 -0.914 -1.333) 2.009 10.576 ( -2.485 5.865 9.444) 11.391 10.841 ( 1.583 2.768 1.385) 3.477 10.853 ( 2.398 0.956 2.946) 3.917 10.987 ( -4.649 1.979 -3.668) 6.244 11.018 ( -0.152 2.407 0.792) 2.539 11.142 ( 3.248 2.044 -0.090) 3.838 11.157 ( -2.369 1.841 -3.708) 4.770 11.300 ( 1.344 3.113 -2.561) 4.250 11.334 ( 0.133 0.399 -1.522) 1.579 11.624 ( 4.478 2.691 -6.155) 8.073 11.763 ( -2.957 3.579 2.554) 5.299 11.838 ( 0.118 -0.174 -1.870) 1.882 11.933 ( -2.015 0.416 6.066) 6.405 12.112 ( -0.335 0.910 8.522) 8.577 12.325 ( 1.181 1.083 -3.602) 3.942 12.451 ( 3.777 6.924 -1.483) 8.025 12.794 ( 1.039 2.574 0.847) 2.903 12.873 ( -0.898 -1.173 -4.317) 4.562 ======================= Grid point 87 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.372 ( 8.747 -19.575 12.712) 24.926 1.449 ( 8.823 -19.249 13.891) 25.324 2.052 ( 5.493 -10.026 -15.333) 19.126 2.140 ( 5.698 -8.750 -17.344) 20.245 2.221 ( 11.475 -28.362 18.264) 35.632 2.723 ( 0.385 3.134 5.071) 5.974 2.825 ( -4.540 2.456 6.051) 7.954 2.950 ( -3.191 -0.546 -4.959) 5.922 2.998 ( -5.993 6.274 1.683) 8.838 3.037 ( -1.700 5.482 -0.081) 5.740 3.105 ( 0.847 4.725 -3.883) 6.175 3.250 ( -0.303 6.908 -2.675) 7.414 3.565 ( 0.287 2.199 4.230) 4.776 3.663 ( 0.287 5.653 -0.837) 5.722 3.810 ( -0.002 7.025 -2.792) 7.559 3.911 ( 2.651 5.723 -7.488) 9.790 3.993 ( -2.023 0.659 -2.638) 3.389 4.084 ( 3.389 0.097 1.350) 3.649 4.192 ( -3.720 -1.951 -0.069) 4.201 4.270 ( -0.161 -0.953 1.008) 1.397 4.342 ( -1.152 -3.447 2.710) 4.533 4.419 ( -0.279 -1.927 -0.260) 1.964 6.374 ( 1.323 0.931 1.734) 2.371 6.386 ( -1.528 -0.258 -2.794) 3.195 7.022 ( -2.325 -6.648 4.706) 8.471 7.124 ( -0.104 -5.929 4.324) 7.339 7.276 ( 1.962 -14.777 2.801) 15.168 7.537 ( -0.247 -13.868 -4.321) 14.528 7.606 ( -2.914 -4.320 -2.970) 5.998 7.736 ( 1.959 -10.296 3.964) 11.205 7.830 ( 0.315 -8.351 -2.048) 8.604 7.892 ( 1.731 -10.608 -0.447) 10.758 8.287 ( 0.849 -1.432 0.870) 1.879 8.367 ( -3.223 -5.753 0.284) 6.600 8.466 ( 0.024 -5.831 -0.722) 5.875 8.501 ( -1.996 -7.466 -3.031) 8.301 8.637 ( -8.216 -1.846 2.191) 8.701 8.698 ( -7.503 -3.601 -3.357) 8.974 8.758 ( 2.773 -4.398 -0.378) 5.213 8.870 ( -0.944 -4.654 -4.529) 6.562 8.946 ( 8.004 1.352 -9.573) 12.551 9.097 ( 9.140 -3.777 1.542) 10.010 9.151 ( -2.968 -4.126 -0.301) 5.091 9.383 ( 0.841 -0.577 0.368) 1.084 9.506 ( -2.133 0.247 6.438) 6.787 9.569 ( 2.242 1.116 -1.802) 3.085 9.630 ( -5.703 6.457 7.687) 11.546 9.671 ( 0.772 1.568 -0.741) 1.898 9.788 ( 1.668 3.468 -0.673) 3.907 9.982 ( -1.416 3.260 -3.131) 4.737 10.089 ( 0.198 3.181 1.754) 3.638 10.193 ( 3.792 4.268 6.673) 8.782 10.282 ( -3.753 3.424 -3.934) 6.425 10.393 ( -0.109 1.814 1.743) 2.518 10.542 ( 0.681 0.688 4.568) 4.670 10.788 ( 1.403 3.344 0.382) 3.647 10.827 ( -2.111 5.728 1.715) 6.341 10.906 ( 0.670 6.790 -1.872) 7.075 10.953 ( 2.040 1.399 -2.069) 3.225 11.078 ( -3.906 0.414 -3.195) 5.063 11.110 ( 2.351 3.898 -1.109) 4.685 11.231 ( 0.777 2.726 -0.989) 3.002 11.339 ( 1.691 0.785 -0.545) 1.942 11.561 ( 1.327 5.640 1.886) 6.093 11.711 ( -0.400 0.532 1.928) 2.040 11.832 ( -0.003 -0.296 -2.410) 2.428 11.928 ( -1.569 -0.038 2.830) 3.236 12.129 ( 0.669 1.057 6.569) 6.687 12.298 ( 1.797 2.085 -4.684) 5.433 12.347 ( 0.490 4.882 -2.574) 5.540 12.737 ( 0.972 4.836 1.381) 5.122 12.811 ( -1.536 4.132 -2.978) 5.320 ======================= Grid point 88 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.842 ( 8.381 -18.065 7.291) 21.207 1.908 ( 7.038 -17.538 8.894) 20.886 2.234 ( 4.738 -10.225 -11.915) 16.400 2.283 ( 5.993 -7.724 -13.012) 16.275 2.668 ( -3.469 3.600 2.726) 5.694 2.708 ( -0.926 2.295 1.892) 3.115 2.783 ( -3.134 4.564 2.075) 5.913 2.842 ( 3.701 -6.542 5.129) 9.100 2.921 ( -4.966 -2.099 4.292) 6.891 2.952 ( 1.357 5.485 0.187) 5.654 3.065 ( -0.900 -3.377 2.188) 4.123 3.102 ( 0.463 6.113 -2.276) 6.540 3.485 ( -0.996 6.670 1.718) 6.959 3.606 ( -1.611 1.022 1.291) 2.304 3.689 ( 2.382 4.922 -5.104) 7.480 3.783 ( 3.460 7.100 -5.252) 9.485 3.977 ( -0.826 -1.393 -0.481) 1.690 4.085 ( -0.103 2.128 1.491) 2.600 4.211 ( -2.077 -3.059 -2.430) 4.425 4.284 ( -0.306 -0.496 1.182) 1.318 4.393 ( -1.172 -2.088 1.813) 3.003 4.433 ( 0.290 0.276 -0.071) 0.406 6.354 ( -0.951 -0.409 -1.503) 1.826 6.405 ( 1.211 -0.177 1.687) 2.084 7.134 ( -3.041 -5.480 4.655) 7.807 7.223 ( 0.535 -2.066 5.932) 6.305 7.561 ( 2.734 -9.995 2.979) 10.782 7.610 ( -3.346 -2.763 -3.490) 5.569 7.804 ( 0.465 -14.684 -3.275) 15.052 8.007 ( 0.786 -14.748 4.415) 15.415 8.047 ( 1.725 -14.790 -3.591) 15.317 8.141 ( 1.061 -14.015 -1.194) 14.106 8.252 ( -1.768 2.037 -2.928) 3.981 8.422 ( 0.369 -1.583 -3.377) 3.748 8.586 ( -5.616 -7.395 -0.627) 9.307 8.599 ( -1.482 -4.137 1.169) 4.547 8.673 ( -0.609 -7.146 0.980) 7.239 8.766 ( -1.199 -7.900 -3.799) 8.848 8.838 ( 1.567 -1.585 -0.188) 2.237 8.924 ( -3.579 -4.555 -3.441) 6.738 8.969 ( 4.636 -2.067 -4.678) 6.903 9.148 ( -3.473 1.827 -0.711) 3.989 9.211 ( 4.601 1.746 2.606) 5.569 9.316 ( -2.093 7.725 1.675) 8.177 9.455 ( -3.866 5.099 3.843) 7.464 9.498 ( 6.644 3.869 2.636) 8.127 9.577 ( 0.354 0.003 1.141) 1.195 9.699 ( 0.944 -2.001 1.505) 2.676 9.738 ( 0.761 3.713 -4.429) 5.829 9.888 ( -0.111 4.458 -2.130) 4.942 9.994 ( -2.819 6.197 2.845) 7.379 10.151 ( -6.772 1.985 -5.663) 9.049 10.212 ( 5.594 0.873 8.128) 9.906 10.349 ( 0.282 4.459 3.822) 5.880 10.572 ( -0.302 -0.857 1.726) 1.951 10.671 ( -1.982 6.341 -4.432) 7.986 10.685 ( -0.998 9.319 -2.260) 9.641 10.783 ( 1.101 2.186 -1.569) 2.907 10.965 ( 2.410 0.623 -0.965) 2.670 11.054 ( 2.672 2.738 0.132) 3.829 11.063 ( 1.898 0.774 -0.315) 2.074 11.207 ( 1.591 0.677 -1.077) 2.037 11.324 ( -1.800 0.415 1.876) 2.633 11.478 ( -4.889 3.921 8.940) 10.917 11.747 ( 4.193 -1.408 0.838) 4.502 11.829 ( -0.428 -0.551 -2.362) 2.463 11.944 ( 0.255 -1.490 -0.197) 1.525 12.132 ( -0.172 1.510 4.242) 4.506 12.216 ( -2.629 2.446 -5.124) 6.257 12.283 ( 3.325 3.326 -3.185) 5.680 12.652 ( 0.785 5.265 1.448) 5.517 12.696 ( -1.399 5.174 -1.855) 5.672 ======================= Grid point 89 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.220 ( 6.161 -12.286 2.574) 13.983 2.262 ( 2.490 -8.979 2.573) 9.667 2.348 ( 0.672 -3.679 -6.328) 7.351 2.408 ( 4.065 -5.137 -7.072) 9.640 2.504 ( -3.768 9.311 0.895) 10.085 2.603 ( -2.423 5.275 1.272) 5.943 2.654 ( -0.798 1.364 -0.875) 1.806 2.862 ( -1.370 1.100 2.938) 3.423 2.863 ( 3.081 3.438 2.220) 5.122 3.016 ( -0.120 -1.601 -0.552) 1.698 3.071 ( -1.688 -2.034 2.304) 3.507 3.192 ( -0.712 -2.184 4.803) 5.324 3.405 ( -4.993 -2.114 -1.386) 5.596 3.540 ( 3.013 6.854 0.230) 7.490 3.626 ( -1.616 0.999 -5.582) 5.896 3.696 ( 5.225 3.330 -2.661) 6.743 4.024 ( -2.013 3.444 0.921) 4.094 4.038 ( 1.828 -3.740 3.550) 5.471 4.244 ( -0.750 -2.916 -1.427) 3.332 4.302 ( 0.220 -0.753 1.649) 1.826 4.414 ( 0.181 1.510 -0.497) 1.600 4.417 ( -0.611 -0.546 0.531) 0.976 6.362 ( -0.640 -1.180 -0.803) 1.564 6.417 ( 1.231 0.505 1.975) 2.381 7.205 ( -5.491 -3.447 5.170) 8.293 7.263 ( 1.222 1.208 7.013) 7.221 7.575 ( -4.763 -1.596 -5.431) 7.398 7.758 ( 4.904 -3.262 6.207) 8.557 8.000 ( -0.302 -6.958 -1.943) 7.230 8.140 ( -2.319 2.808 -0.548) 3.683 8.278 ( 4.915 -7.185 -10.628) 13.738 8.363 ( 1.965 -13.536 3.137) 14.033 8.396 ( 3.252 -8.081 -9.731) 13.061 8.480 ( 2.033 -11.549 -3.248) 12.168 8.605 ( -2.886 0.891 4.394) 5.332 8.658 ( 0.387 -1.846 2.193) 2.892 8.755 ( -0.568 2.923 1.096) 3.173 8.788 ( -0.620 7.761 -1.894) 8.013 8.894 ( -1.711 -1.208 0.305) 2.116 8.930 ( -0.548 -4.323 -0.498) 4.386 9.049 ( -0.805 -3.619 -2.940) 4.732 9.056 ( -1.998 2.916 0.515) 3.573 9.116 ( -2.057 5.534 4.950) 7.705 9.202 ( 1.618 0.765 0.389) 1.832 9.385 ( -3.597 1.930 -6.491) 7.668 9.500 ( 5.468 5.443 3.721) 8.566 9.613 ( -0.318 -0.577 4.202) 4.253 9.662 ( -3.209 -2.327 -5.512) 6.789 9.726 ( 2.569 3.057 -3.356) 5.216 9.792 ( 6.667 4.197 2.226) 8.186 9.900 ( -4.863 -0.393 1.588) 5.131 10.082 ( -6.533 -2.583 -2.810) 7.566 10.260 ( -2.041 4.308 1.202) 4.916 10.278 ( 1.520 4.447 5.632) 7.335 10.493 ( -0.958 0.443 3.576) 3.728 10.583 ( 1.661 -0.123 -5.421) 5.671 10.636 ( 3.721 1.118 -0.929) 3.995 10.754 ( 0.271 0.285 -3.502) 3.524 10.962 ( -0.803 0.403 -0.699) 1.139 11.006 ( 4.128 5.246 2.205) 7.030 11.091 ( 2.317 -0.636 -0.425) 2.440 11.219 ( 1.863 -0.840 -2.044) 2.890 11.331 ( -4.061 -2.292 5.134) 6.936 11.404 ( -6.300 3.382 10.603) 12.789 11.799 ( -0.765 -0.824 0.147) 1.134 11.843 ( 2.949 -1.687 -0.540) 3.440 11.967 ( 1.009 -0.133 -1.927) 2.180 12.095 ( -1.055 2.640 -0.156) 2.847 12.171 ( -0.547 -1.263 -4.182) 4.402 12.243 ( 2.218 1.687 -1.845) 3.342 12.586 ( 0.081 2.770 0.484) 2.813 12.608 ( 0.068 2.110 -0.271) 2.128 ======================= Grid point 90 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.083 ( -6.794 15.222 -3.413) 17.016 2.147 ( -5.593 17.493 -0.708) 18.379 2.398 ( -1.378 0.197 -1.791) 2.269 2.490 ( 3.258 -4.880 -2.801) 6.501 2.499 ( 1.396 -3.294 0.510) 3.613 2.668 ( 1.393 -2.321 1.219) 2.968 2.715 ( 2.523 -10.787 0.156) 11.079 2.881 ( 1.494 -1.889 2.114) 3.204 2.892 ( 4.919 -2.457 0.003) 5.498 3.018 ( -2.785 6.347 8.271) 10.791 3.066 ( -2.118 -3.246 -1.010) 4.005 3.183 ( -4.744 6.556 4.301) 9.164 3.375 ( -2.571 1.869 -4.486) 5.498 3.448 ( -2.964 -2.702 -1.873) 4.427 3.600 ( 1.734 -1.949 -3.954) 4.737 3.725 ( 3.304 -2.913 -3.239) 5.467 3.961 ( 0.645 2.537 2.476) 3.603 4.148 ( 1.569 -3.903 3.043) 5.192 4.290 ( 0.579 -1.478 0.805) 1.780 4.322 ( 0.162 0.053 1.838) 1.846 4.368 ( 0.345 2.459 -1.476) 2.888 4.420 ( -0.743 -0.074 -0.235) 0.783 6.356 ( -1.377 0.682 -0.249) 1.557 6.439 ( 1.859 -0.502 1.801) 2.637 7.205 ( -5.376 0.629 4.594) 7.100 7.267 ( -1.117 1.812 7.811) 8.096 7.533 ( -4.178 -0.004 -4.332) 6.019 7.828 ( 3.476 2.312 6.571) 7.785 8.017 ( 1.225 5.748 -0.129) 5.879 8.082 ( -0.556 1.302 -3.566) 3.836 8.211 ( 7.368 10.198 -12.381) 17.651 8.320 ( -1.377 17.017 -0.883) 17.096 8.533 ( 0.435 10.579 -0.202) 10.590 8.551 ( 0.877 0.242 -3.772) 3.880 8.605 ( 2.020 -0.384 2.667) 3.367 8.621 ( 4.737 -2.093 -2.148) 5.607 8.742 ( 2.149 3.914 0.600) 4.506 8.770 ( -2.056 -5.610 -0.532) 5.998 8.901 ( -0.670 2.625 1.224) 2.973 8.947 ( 4.088 -4.551 0.430) 6.133 8.987 ( -1.403 2.825 0.593) 3.209 9.077 ( -3.900 -7.318 -1.787) 8.483 9.134 ( -1.794 -2.200 4.193) 5.064 9.245 ( 0.317 3.872 -0.121) 3.887 9.325 ( -1.860 -4.969 -2.122) 5.714 9.412 ( 2.609 4.168 -1.678) 5.195 9.556 ( -2.552 0.664 -2.447) 3.598 9.651 ( -0.033 3.190 -0.920) 3.320 9.743 ( -3.951 -5.089 -0.417) 6.456 9.863 ( 1.211 -3.481 3.791) 5.287 9.975 ( 4.913 -3.184 -3.831) 6.996 10.050 ( -6.289 -0.853 -1.063) 6.435 10.172 ( -3.548 -6.018 1.199) 7.088 10.274 ( 1.908 0.440 6.525) 6.813 10.571 ( -1.703 -3.102 -1.380) 3.798 10.582 ( 5.315 1.691 -2.525) 6.123 10.681 ( -1.735 -4.786 0.492) 5.115 10.758 ( 1.724 -1.579 0.828) 2.480 10.924 ( -1.356 1.237 -1.511) 2.378 10.975 ( 2.901 1.639 1.686) 3.735 11.094 ( 0.978 0.683 -5.986) 6.103 11.245 ( 2.719 -0.173 0.108) 2.727 11.347 ( -4.297 2.369 10.910) 11.963 11.385 ( -4.121 -4.676 5.914) 8.593 11.798 ( -3.674 -1.457 0.816) 4.036 11.892 ( 0.549 -0.651 1.579) 1.794 11.944 ( 1.371 1.647 -2.893) 3.600 12.022 ( 0.556 4.060 -3.228) 5.217 12.206 ( 1.016 -3.644 -3.927) 5.453 12.258 ( 1.588 -1.824 -0.450) 2.460 12.564 ( -0.532 -1.252 -0.095) 1.363 12.631 ( 1.574 -3.197 0.345) 3.580 ======================= Grid point 91 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.672 ( -8.930 20.415 0.401) 22.286 1.715 ( -8.971 21.793 1.455) 23.612 2.348 ( -2.337 1.689 -5.038) 5.804 2.433 ( -1.049 2.842 -9.382) 9.858 2.638 ( -0.640 8.451 3.153) 9.043 2.685 ( -1.127 3.183 3.222) 4.667 2.788 ( -2.216 9.983 2.217) 10.464 2.876 ( -1.545 4.277 6.293) 7.764 2.903 ( -0.746 -6.101 -1.853) 6.420 2.961 ( 1.671 -1.682 5.223) 5.736 3.081 ( 5.271 -7.534 -0.560) 9.212 3.131 ( -3.564 -6.389 0.662) 7.346 3.421 ( -2.571 -5.692 -0.206) 6.249 3.524 ( -0.744 -7.420 -2.469) 7.855 3.696 ( 4.251 -6.375 -3.373) 8.372 3.814 ( 2.418 -5.773 -3.983) 7.419 3.964 ( 3.014 0.299 2.633) 4.013 4.206 ( 0.601 0.325 -1.872) 1.993 4.255 ( -1.722 3.790 -0.479) 4.190 4.306 ( -0.835 1.220 4.468) 4.707 4.358 ( 1.043 1.251 0.372) 1.670 4.417 ( 0.078 -0.509 -0.536) 0.744 6.328 ( -0.908 0.698 -0.625) 1.305 6.467 ( 0.903 -0.124 1.599) 1.841 7.138 ( -3.075 4.653 4.275) 7.027 7.236 ( -4.606 2.513 7.045) 8.784 7.446 ( -3.703 5.460 -1.831) 6.846 7.774 ( 3.125 9.516 2.468) 10.315 7.875 ( -0.359 12.477 2.063) 12.652 7.918 ( 2.355 10.583 -3.474) 11.384 7.949 ( 1.616 15.031 -3.098) 15.432 8.090 ( 4.089 8.407 -4.208) 10.252 8.338 ( -2.727 6.407 -1.049) 7.041 8.468 ( -0.877 6.496 -0.395) 6.567 8.580 ( 5.877 6.837 0.696) 9.042 8.624 ( 3.890 7.692 4.152) 9.568 8.637 ( -1.285 5.837 -3.648) 7.002 8.805 ( -0.513 5.225 -3.214) 6.156 8.820 ( 3.947 -4.395 -9.376) 11.081 8.907 ( 0.894 3.262 1.179) 3.582 9.083 ( -3.488 -0.213 -0.570) 3.541 9.109 ( 1.765 0.885 1.673) 2.588 9.184 ( 4.925 1.934 -0.227) 5.296 9.295 ( 2.232 -3.948 2.384) 5.124 9.351 ( -3.032 -6.976 2.049) 7.877 9.469 ( 0.248 -7.034 -0.005) 7.039 9.541 ( 2.631 3.588 -3.889) 5.909 9.645 ( -3.386 -6.402 7.478) 10.410 9.754 ( -3.876 -1.391 -3.413) 5.349 9.895 ( -2.826 -2.541 -3.436) 5.123 9.967 ( -4.798 -3.286 -2.902) 6.499 10.184 ( 0.979 -5.182 5.502) 7.622 10.318 ( -0.326 -6.424 3.827) 7.485 10.338 ( 1.680 -3.280 3.772) 5.273 10.504 ( 1.352 3.643 -0.829) 3.973 10.664 ( -0.275 -3.756 -5.020) 6.276 10.707 ( -2.024 -4.268 -0.585) 4.759 10.843 ( -3.333 -3.658 2.159) 5.400 10.920 ( -0.358 -3.886 -2.960) 4.898 11.022 ( 3.418 -1.945 3.489) 5.257 11.067 ( 3.703 -0.081 -5.964) 7.021 11.246 ( 0.494 0.961 -2.888) 3.083 11.356 ( -0.595 -0.324 9.925) 9.948 11.476 ( -3.327 -5.950 3.491) 7.659 11.797 ( -2.900 -0.712 2.740) 4.052 11.883 ( -3.403 -0.113 0.379) 3.426 11.925 ( 1.769 2.587 -1.336) 3.407 11.954 ( 0.959 0.900 -2.028) 2.417 12.261 ( 0.641 -3.124 -4.802) 5.765 12.321 ( 1.889 -3.025 0.120) 3.569 12.620 ( -0.448 -4.690 0.060) 4.712 12.734 ( 1.942 -5.788 -0.370) 6.117 ======================= Grid point 92 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.192 ( -10.545 23.468 5.200) 26.248 1.223 ( -10.815 23.278 6.998) 26.605 1.990 ( -14.348 36.380 9.772) 40.309 2.246 ( -3.836 3.432 -10.055) 11.296 2.349 ( -0.140 4.022 -16.399) 16.886 2.618 ( -1.981 2.092 8.052) 8.552 2.819 ( -2.709 1.032 10.966) 11.343 2.954 ( 7.082 -5.856 -0.354) 9.196 2.999 ( 1.116 -4.710 1.396) 5.037 3.056 ( 1.235 -5.914 -1.986) 6.359 3.222 ( 2.826 -2.478 -0.335) 3.773 3.260 ( 1.616 -8.033 -2.307) 8.513 3.482 ( -3.432 -3.485 2.135) 5.337 3.671 ( -1.070 -9.283 -2.031) 9.563 3.838 ( 3.325 -6.384 -2.695) 7.686 3.943 ( 3.711 -6.341 -4.387) 8.557 4.011 ( 2.143 -1.857 1.520) 3.218 4.090 ( -0.876 5.903 -6.510) 8.831 4.227 ( -1.704 0.822 2.586) 3.204 4.280 ( -1.419 2.550 3.970) 4.927 4.319 ( 0.126 3.342 1.070) 3.512 4.421 ( 0.814 0.879 -0.478) 1.290 6.322 ( 0.305 -0.778 -0.733) 1.112 6.471 ( -0.337 0.294 0.319) 0.549 7.024 ( -2.564 6.707 4.754) 8.612 7.146 ( -4.611 5.917 5.106) 9.074 7.235 ( -2.222 12.906 0.409) 13.102 7.593 ( -0.926 8.558 -2.260) 8.899 7.650 ( 0.094 9.831 2.893) 10.249 7.692 ( 0.391 11.595 -5.924) 13.026 7.767 ( 3.192 10.428 1.100) 10.961 7.998 ( 5.604 4.429 4.264) 8.319 8.217 ( -4.168 3.573 -4.101) 6.853 8.321 ( -1.490 6.131 -1.643) 6.520 8.477 ( -0.985 7.402 -1.195) 7.563 8.506 ( 1.518 6.313 1.394) 6.641 8.557 ( 5.415 4.270 -1.296) 7.016 8.724 ( 5.650 3.746 -0.555) 6.802 8.825 ( 4.017 2.676 -5.821) 7.562 8.903 ( 2.591 -0.306 -5.083) 5.713 9.008 ( -6.374 1.557 -1.427) 6.715 9.101 ( 1.351 4.465 -2.969) 5.529 9.139 ( -0.606 1.146 2.425) 2.749 9.307 ( 5.801 4.075 2.053) 7.381 9.452 ( 4.080 3.690 -1.782) 5.783 9.552 ( 0.207 -6.614 4.086) 7.777 9.650 ( 1.948 -7.054 1.233) 7.421 9.721 ( -6.410 -5.355 0.856) 8.396 9.819 ( 0.459 -3.805 6.098) 7.202 9.885 ( -9.803 -4.632 -2.082) 11.040 10.002 ( 0.349 -5.322 -3.599) 6.434 10.223 ( -0.568 4.212 7.454) 8.580 10.351 ( -4.180 -2.065 -5.473) 7.189 10.420 ( -2.336 -3.656 7.171) 8.381 10.514 ( 5.047 1.184 1.043) 5.287 10.709 ( -2.903 -3.858 -1.147) 4.962 10.794 ( 2.388 -4.128 0.021) 4.769 10.887 ( 0.590 -4.668 -1.707) 5.005 11.017 ( -0.999 -6.733 -2.625) 7.295 11.072 ( 0.329 -1.229 2.327) 2.652 11.123 ( 3.120 -1.279 -2.897) 4.445 11.239 ( 0.597 -2.777 -2.970) 4.109 11.391 ( -0.937 -0.340 4.190) 4.307 11.572 ( -1.552 -5.969 -1.070) 6.259 11.804 ( -1.365 -0.720 1.273) 2.001 11.853 ( -3.384 -0.069 -0.370) 3.405 11.887 ( 1.688 1.734 0.608) 2.495 11.983 ( -0.636 -2.273 5.035) 5.561 12.295 ( 1.148 -1.938 -3.824) 4.439 12.384 ( -0.219 -2.894 -1.288) 3.175 12.710 ( -0.396 -4.759 0.184) 4.779 12.852 ( 2.281 -4.854 -1.795) 5.656 ======================= Grid point 93 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.710 ( -8.877 21.709 15.166) 27.930 0.766 ( -9.626 20.972 18.467) 29.555 1.237 ( -15.951 34.938 26.739) 46.798 2.100 ( -3.226 2.829 -15.277) 15.868 2.181 ( -0.406 4.891 -18.073) 18.727 2.662 ( 1.637 -1.615 8.220) 8.536 2.852 ( -2.978 -2.853 10.026) 10.841 3.038 ( 3.403 -0.910 -4.104) 5.408 3.107 ( 0.696 -3.175 -1.254) 3.484 3.180 ( 3.447 -4.409 -2.667) 6.200 3.218 ( 1.102 1.818 -2.150) 3.024 3.398 ( 0.536 -5.739 -3.195) 6.590 3.520 ( -1.783 -1.773 5.150) 5.731 3.804 ( -2.548 -6.815 -1.315) 7.394 3.957 ( 3.520 -2.423 -1.598) 4.562 3.985 ( 0.136 -1.226 -1.967) 2.322 4.031 ( 1.461 -1.481 -4.425) 4.890 4.085 ( 0.787 -3.389 -2.918) 4.541 4.214 ( -0.612 0.215 3.198) 3.264 4.231 ( -1.081 2.271 2.288) 3.400 4.254 ( -0.777 3.611 1.419) 3.957 4.382 ( 0.293 3.691 -0.756) 3.779 6.349 ( 0.887 -1.450 -0.684) 1.832 6.458 ( -0.086 0.303 -1.745) 1.773 6.907 ( -2.874 5.249 5.371) 8.042 6.996 ( -2.465 8.376 4.243) 9.707 7.018 ( -3.179 6.502 1.045) 7.312 7.418 ( 0.205 8.747 -5.420) 10.292 7.466 ( 0.418 8.971 -2.924) 9.445 7.556 ( 0.043 1.319 2.800) 3.095 7.672 ( -0.622 2.365 1.591) 2.917 7.991 ( -2.579 1.007 -0.854) 2.898 8.118 ( 3.071 3.921 2.016) 5.373 8.239 ( 1.041 0.773 -0.953) 1.609 8.329 ( 2.753 8.947 -0.468) 9.373 8.416 ( -2.764 2.903 3.433) 5.277 8.544 ( 6.614 1.830 -5.071) 8.532 8.742 ( 9.490 1.629 -0.692) 9.653 8.799 ( 3.360 1.483 -2.256) 4.311 8.891 ( 5.616 2.186 -5.681) 8.282 8.909 ( -5.967 2.328 -4.232) 7.677 8.971 ( -7.047 4.454 -5.397) 9.931 9.131 ( -4.320 0.686 2.525) 5.050 9.246 ( 9.620 7.685 -5.258) 13.389 9.429 ( 1.350 1.861 5.900) 6.332 9.616 ( 3.533 0.239 -2.203) 4.171 9.705 ( -9.289 -1.815 -5.802) 11.102 9.795 ( -1.710 -6.264 6.132) 8.931 9.909 ( 1.566 -3.383 7.269) 8.169 9.955 ( -5.841 -5.428 4.012) 8.926 10.120 ( 1.903 -2.445 1.730) 3.549 10.139 ( -0.921 0.334 1.433) 1.736 10.350 ( 1.570 -0.674 -3.380) 3.787 10.450 ( -1.206 2.611 0.004) 2.875 10.571 ( -2.756 -7.889 8.994) 12.277 10.735 ( -0.687 -0.949 2.617) 2.868 10.871 ( 0.376 -2.733 -0.990) 2.931 11.000 ( 1.103 -3.940 1.924) 4.521 11.092 ( 1.606 -0.746 -1.353) 2.229 11.101 ( -0.902 -4.008 -1.194) 4.278 11.132 ( 0.981 0.192 -1.639) 1.920 11.308 ( 1.219 -3.373 -4.480) 5.738 11.389 ( -2.609 -0.316 1.101) 2.849 11.646 ( 0.906 -3.415 -7.224) 8.041 11.802 ( -2.756 -1.805 -0.743) 3.378 11.844 ( -0.145 0.026 0.036) 0.151 11.895 ( 0.704 0.237 5.403) 5.454 12.048 ( -1.703 -1.937 9.287) 9.639 12.345 ( 2.762 -3.930 -0.044) 4.804 12.405 ( -2.689 -1.593 -3.036) 4.357 12.779 ( -0.005 -2.666 0.245) 2.678 12.905 ( 2.367 1.103 -4.806) 5.470 ======================= Grid point 95 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.918 ( 13.020 -0.000 24.351) 27.614 0.948 ( 13.848 -0.000 24.706) 28.323 1.526 ( 23.603 -0.000 36.361) 43.350 1.846 ( 5.993 -0.000 -21.754) 22.565 1.929 ( 5.301 -0.000 -21.338) 21.986 2.799 ( -1.677 0.000 8.561) 8.724 2.862 ( 1.683 -0.000 -17.926) 18.005 2.972 ( -2.218 0.000 6.657) 7.017 3.054 ( -6.441 0.000 -2.620) 6.953 3.117 ( 0.536 -0.000 -4.506) 4.538 3.268 ( -3.916 0.000 1.704) 4.271 3.380 ( -1.592 0.000 -1.893) 2.474 3.625 ( -2.404 0.000 7.134) 7.528 3.839 ( 1.563 -0.000 0.831) 1.770 3.959 ( -0.779 0.000 -5.200) 5.258 4.016 ( 0.792 -0.000 -3.518) 3.606 4.072 ( 2.722 -0.000 -0.046) 2.723 4.090 ( 1.313 -0.000 -2.503) 2.827 4.150 ( -2.230 0.000 0.076) 2.231 4.228 ( -0.286 0.000 0.474) 0.553 4.269 ( -0.844 0.000 2.850) 2.973 4.295 ( -0.961 0.000 0.739) 1.212 6.372 ( 0.992 -0.000 -0.347) 1.051 6.424 ( -0.934 0.000 -2.923) 3.068 6.853 ( -2.443 0.000 6.914) 7.333 6.925 ( -0.512 0.000 4.080) 4.112 6.954 ( 1.500 -0.000 1.863) 2.392 7.276 ( -0.980 0.000 -6.171) 6.248 7.350 ( 1.532 -0.000 2.225) 2.702 7.617 ( 0.479 -0.000 -2.315) 2.364 7.731 ( -6.549 0.000 -5.179) 8.349 7.743 ( 9.524 -0.000 7.039) 11.843 8.148 ( -2.407 0.000 2.681) 3.603 8.150 ( -3.569 0.000 -0.618) 3.622 8.382 ( -1.270 0.000 2.823) 3.096 8.409 ( 0.407 -0.000 -6.333) 6.346 8.614 ( -14.792 0.000 -1.184) 14.839 8.654 ( 3.459 -0.000 -0.147) 3.462 8.664 ( -6.517 0.000 -4.704) 8.037 8.740 ( -0.493 0.000 -2.800) 2.843 8.970 ( 2.238 -0.000 -1.914) 2.945 8.991 ( 8.486 -0.000 -2.441) 8.831 9.012 ( 3.636 -0.000 -6.330) 7.300 9.361 ( 4.150 -0.000 5.016) 6.510 9.485 ( -2.150 0.000 6.925) 7.251 9.555 ( 1.459 -0.000 -4.621) 4.846 9.672 ( 1.779 -0.000 -0.567) 1.867 9.813 ( -14.970 0.000 5.505) 15.950 9.835 ( 0.923 -0.000 -0.432) 1.019 10.079 ( 0.159 -0.000 -0.256) 0.301 10.080 ( 1.964 -0.000 -0.425) 2.009 10.309 ( 0.620 -0.000 3.353) 3.410 10.346 ( 1.282 -0.000 0.055) 1.283 10.417 ( 4.705 -0.000 -1.789) 5.034 10.669 ( -0.875 0.000 6.509) 6.568 10.861 ( 0.069 -0.000 0.362) 0.369 10.920 ( 4.482 -0.000 3.547) 5.716 10.934 ( -6.387 0.000 -2.507) 6.861 11.052 ( 1.452 -0.000 0.793) 1.654 11.126 ( -3.538 0.000 -8.007) 8.754 11.186 ( 1.532 -0.000 3.917) 4.206 11.320 ( -1.688 0.000 -0.543) 1.773 11.364 ( 6.032 -0.000 -3.768) 7.112 11.668 ( 6.094 -0.000 -4.109) 7.350 11.802 ( -1.270 0.000 -0.605) 1.407 11.820 ( -0.708 0.000 -1.353) 1.527 11.946 ( -3.921 0.000 8.888) 9.715 12.148 ( -0.957 0.000 7.887) 7.945 12.335 ( 3.123 -0.000 -4.459) 5.443 12.569 ( 0.993 -0.000 -6.838) 6.909 12.812 ( -0.304 0.000 -0.214) 0.372 12.833 ( 1.607 -0.000 0.524) 1.690 ======================= Grid point 96 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.239 ( 13.446 -10.984 18.099) 25.080 1.308 ( 14.032 -12.814 18.474) 26.502 1.875 ( 8.183 -6.439 -19.339) 21.964 1.962 ( 8.130 -7.363 -19.710) 22.556 2.035 ( 21.889 -15.045 25.538) 36.847 2.793 ( -0.406 1.754 1.309) 2.226 2.834 ( 0.957 -1.093 -4.828) 5.042 2.930 ( -4.226 3.789 3.959) 6.920 2.976 ( -7.503 -0.139 -2.962) 8.068 3.111 ( -0.545 -0.505 -6.767) 6.808 3.157 ( -5.009 7.287 1.843) 9.032 3.338 ( -0.735 2.985 -1.271) 3.326 3.604 ( -3.805 1.699 5.565) 6.953 3.795 ( 1.487 6.719 2.011) 7.169 3.903 ( -0.284 2.963 -4.123) 5.085 3.987 ( 2.020 5.206 -4.813) 7.372 4.000 ( 0.548 1.661 -4.360) 4.698 4.113 ( 3.444 -1.036 -0.979) 3.728 4.157 ( -3.499 0.673 1.703) 3.949 4.248 ( 0.095 -2.365 1.120) 2.618 4.283 ( -1.628 -2.005 3.259) 4.158 4.349 ( -0.953 -4.240 0.057) 4.346 6.374 ( -0.216 0.861 -2.303) 2.469 6.399 ( 0.555 0.070 0.445) 0.714 6.914 ( -2.261 -4.849 6.750) 8.613 7.012 ( 0.502 -7.107 3.395) 7.892 7.069 ( 2.466 -9.187 3.392) 10.099 7.309 ( -0.765 -7.245 -5.119) 8.904 7.462 ( 0.484 -8.120 0.959) 8.191 7.618 ( -0.871 -1.696 -3.011) 3.564 7.696 ( -2.107 -3.515 -3.821) 5.603 7.881 ( 11.058 -1.925 7.404) 13.446 8.181 ( -2.705 -6.891 0.869) 7.453 8.213 ( -5.420 -6.579 0.455) 8.536 8.364 ( -4.283 -0.769 -3.519) 5.596 8.408 ( -1.461 -2.344 0.424) 2.794 8.500 ( -11.060 -2.812 -4.842) 12.396 8.617 ( -2.941 -0.252 1.649) 3.381 8.697 ( 1.059 -2.959 -1.893) 3.669 8.761 ( -0.405 -3.512 -4.558) 5.768 8.987 ( 3.509 -1.012 -7.320) 8.180 9.033 ( -0.281 -2.891 -4.139) 5.057 9.082 ( 6.343 -4.134 -1.874) 7.800 9.408 ( -2.685 -0.252 9.983) 10.341 9.490 ( -0.706 -0.824 -5.541) 5.646 9.584 ( 1.593 -0.305 5.585) 5.815 9.665 ( -2.422 0.565 3.240) 4.084 9.701 ( -5.985 2.620 4.456) 7.908 9.824 ( -0.201 1.083 -3.962) 4.112 10.041 ( 0.454 3.331 -0.657) 3.426 10.099 ( -0.305 -0.403 -1.043) 1.159 10.290 ( -1.962 2.532 3.023) 4.404 10.344 ( 2.263 2.027 -0.887) 3.164 10.441 ( 3.106 1.159 0.791) 3.408 10.630 ( 1.535 5.316 5.166) 7.570 10.851 ( 1.174 1.662 -1.074) 2.301 10.882 ( -2.439 1.694 1.382) 3.275 10.967 ( 3.730 -0.219 2.056) 4.265 11.020 ( -0.650 4.562 -1.839) 4.962 11.042 ( -2.863 1.839 -6.263) 7.127 11.203 ( 2.693 2.157 4.489) 5.662 11.292 ( 1.719 2.280 0.003) 2.856 11.375 ( 3.283 1.326 -3.892) 5.262 11.686 ( 5.387 3.677 -3.209) 7.270 11.746 ( -0.636 2.343 2.730) 3.654 11.812 ( -0.952 -0.272 -2.383) 2.580 11.935 ( -4.240 0.891 6.978) 8.214 12.169 ( -0.600 0.376 6.708) 6.745 12.331 ( 3.206 1.578 -6.084) 7.056 12.452 ( -0.393 6.693 -3.077) 7.377 12.821 ( 0.085 1.207 -0.385) 1.269 12.828 ( 0.170 1.442 -0.920) 1.719 ======================= Grid point 97 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.655 ( 11.818 -14.852 11.273) 22.076 1.739 ( 12.503 -13.711 11.839) 22.012 2.027 ( 7.454 -10.261 -16.286) 20.641 2.118 ( 9.091 -9.277 -16.754) 21.200 2.584 ( 11.130 -15.771 14.072) 23.888 2.761 ( -0.378 2.879 3.192) 4.315 2.785 ( -5.586 4.019 5.394) 8.744 2.880 ( -2.663 -1.189 1.727) 3.389 2.917 ( -3.254 2.158 -2.224) 4.494 2.979 ( -4.950 4.540 0.530) 6.737 3.063 ( -0.092 2.134 -6.359) 6.708 3.240 ( 0.338 7.152 0.338) 7.167 3.566 ( -2.858 0.848 2.265) 3.744 3.649 ( -1.958 8.528 1.171) 8.828 3.820 ( 3.145 6.039 -1.008) 6.883 3.893 ( 2.786 4.317 -6.604) 8.367 3.958 ( 1.182 0.958 -4.587) 4.833 4.106 ( -4.291 0.183 -0.931) 4.395 4.175 ( 4.407 -0.782 1.737) 4.801 4.268 ( -2.038 -0.625 1.728) 2.744 4.341 ( -1.666 -3.256 2.700) 4.546 4.409 ( -0.644 -2.580 -0.179) 2.665 6.339 ( -0.340 0.528 -2.315) 2.398 6.427 ( 1.790 -0.321 2.447) 3.048 7.024 ( -2.978 -5.724 6.303) 9.019 7.183 ( 2.566 -6.631 4.442) 8.383 7.337 ( 2.299 -14.826 3.143) 15.329 7.466 ( -5.680 -10.272 -2.371) 11.974 7.557 ( 2.063 -6.329 -5.245) 8.475 7.743 ( -1.765 -12.700 -0.079) 12.823 7.802 ( 0.943 -10.190 -3.608) 10.851 8.052 ( 9.902 -3.613 5.909) 12.083 8.237 ( -4.503 -0.396 -0.501) 4.548 8.317 ( -3.946 -8.746 0.688) 9.619 8.371 ( -6.050 -7.280 -0.717) 9.493 8.475 ( 0.007 -6.248 -0.443) 6.264 8.536 ( -3.637 -9.198 -5.671) 11.401 8.633 ( 0.157 -1.139 4.103) 4.261 8.767 ( 0.648 -4.904 -3.050) 5.811 8.813 ( -0.685 -3.950 -3.607) 5.393 8.993 ( 6.167 0.807 -9.004) 10.943 9.072 ( -5.057 -4.081 -0.235) 6.502 9.211 ( 4.048 -4.969 -2.713) 6.960 9.411 ( -3.406 2.138 9.160) 10.004 9.452 ( -10.352 -2.498 -3.499) 11.210 9.523 ( -4.915 3.462 0.030) 6.012 9.644 ( 0.616 1.680 0.147) 1.795 9.732 ( 5.884 1.828 3.469) 7.071 9.754 ( -2.408 2.081 -0.606) 3.240 9.969 ( -1.075 4.045 3.106) 5.212 10.073 ( 1.057 2.150 -4.104) 4.752 10.193 ( -3.600 7.167 0.594) 8.042 10.318 ( 4.139 2.117 2.033) 5.074 10.431 ( 0.447 2.458 4.002) 4.718 10.592 ( 1.918 2.540 3.877) 5.016 10.756 ( -3.326 6.902 -3.207) 8.306 10.852 ( 5.118 3.146 0.290) 6.015 10.859 ( -1.792 9.175 -2.620) 9.709 10.980 ( -0.417 0.448 -3.252) 3.309 11.034 ( 4.046 -1.812 1.096) 4.567 11.187 ( 4.765 4.012 1.616) 6.435 11.263 ( 1.889 3.394 0.684) 3.944 11.346 ( 0.258 1.738 -1.686) 2.435 11.581 ( -2.268 6.615 4.824) 8.495 11.771 ( 4.632 -0.463 -0.474) 4.679 11.804 ( -0.150 -0.567 -1.686) 1.785 11.923 ( -1.960 -0.601 3.406) 3.976 12.171 ( -1.754 1.367 4.948) 5.425 12.241 ( -1.819 4.812 -6.586) 8.357 12.362 ( 3.023 3.529 -2.324) 5.196 12.763 ( -1.513 3.978 -1.828) 4.632 12.767 ( 1.157 4.961 1.070) 5.205 ======================= Grid point 98 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.060 ( 9.952 -14.137 5.735) 18.215 2.110 ( 9.505 -11.691 6.128) 16.266 2.205 ( 3.839 -8.905 -10.975) 14.646 2.290 ( 7.699 -7.739 -12.113) 16.306 2.636 ( -2.455 5.552 2.390) 6.524 2.702 ( -0.813 3.773 0.214) 3.865 2.739 ( -3.646 9.627 2.694) 10.641 2.875 ( -4.710 0.640 6.902) 8.381 2.909 ( -2.972 -7.449 -0.243) 8.023 2.964 ( -1.914 0.517 0.307) 2.006 3.066 ( 0.335 -5.332 1.934) 5.681 3.098 ( -0.073 6.824 0.228) 6.828 3.472 ( -1.093 8.346 1.514) 8.552 3.550 ( -4.318 -0.419 -0.115) 4.339 3.730 ( 6.319 6.805 -3.740) 10.012 3.819 ( 4.846 4.776 -3.176) 7.509 3.972 ( 0.559 -3.104 -0.965) 3.298 4.081 ( -0.367 0.048 -1.712) 1.751 4.208 ( 1.313 0.397 2.804) 3.121 4.283 ( -0.782 -2.014 1.359) 2.552 4.384 ( -1.659 -1.900 1.704) 3.044 4.428 ( -0.633 -0.241 -0.719) 0.988 6.339 ( 0.937 -0.860 -1.106) 1.686 6.449 ( 1.249 0.484 2.317) 2.677 7.111 ( -5.150 -4.202 6.172) 9.070 7.308 ( 2.882 -1.688 6.517) 7.323 7.474 ( -5.448 -2.459 -4.083) 7.238 7.653 ( 2.420 -13.564 1.837) 13.900 7.797 ( 1.072 -13.489 -2.409) 13.744 7.979 ( -1.180 -15.233 -3.038) 15.578 8.057 ( 1.859 -16.272 -3.191) 16.686 8.187 ( -0.816 -0.417 1.129) 1.454 8.250 ( 5.739 -6.630 3.109) 9.304 8.423 ( 1.374 -2.862 -1.438) 3.485 8.498 ( -3.036 -10.528 -1.497) 11.059 8.613 ( 1.816 -2.612 -1.199) 3.400 8.664 ( -2.234 -10.618 -0.392) 10.858 8.715 ( -0.582 -7.085 -0.707) 7.144 8.839 ( -4.161 -1.620 -2.443) 5.090 8.862 ( 2.207 -4.832 -0.956) 5.397 8.997 ( 3.469 -0.044 -4.118) 5.385 9.080 ( -3.561 -0.717 0.708) 3.701 9.258 ( 0.751 3.386 -0.101) 3.470 9.298 ( -2.502 7.451 1.991) 8.109 9.365 ( -7.205 4.501 0.065) 8.496 9.478 ( -6.619 -5.346 -5.270) 10.008 9.611 ( -5.642 0.878 -3.376) 6.633 9.685 ( 5.401 2.037 2.830) 6.429 9.761 ( 2.644 0.867 1.549) 3.185 9.917 ( -2.158 2.843 6.996) 7.854 9.985 ( -1.179 10.716 -1.475) 10.881 10.025 ( 1.097 2.334 -4.495) 5.182 10.356 ( 2.659 2.840 5.316) 6.588 10.389 ( -0.161 4.030 4.292) 5.889 10.522 ( -3.038 4.566 1.191) 5.613 10.590 ( -1.226 4.718 -7.100) 8.613 10.726 ( 2.485 3.737 4.965) 6.693 10.807 ( 3.777 5.156 -4.401) 7.760 10.979 ( 3.874 -0.024 -1.793) 4.269 11.098 ( 3.470 -0.263 -1.204) 3.682 11.157 ( 3.076 6.030 1.728) 6.986 11.212 ( 1.396 -0.341 -2.018) 2.478 11.310 ( -1.862 1.079 2.278) 3.134 11.478 ( -4.116 4.833 10.039) 11.878 11.777 ( -1.944 0.006 -1.360) 2.372 11.846 ( 4.599 -1.326 -0.498) 4.812 11.956 ( 1.044 -1.828 0.707) 2.220 12.108 ( -3.158 1.847 -3.688) 5.195 12.156 ( -1.546 1.878 0.943) 2.609 12.310 ( 2.867 3.693 -3.053) 5.583 12.657 ( -1.324 4.835 -1.018) 5.115 12.681 ( 1.021 5.110 0.888) 5.286 ======================= Grid point 99 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.235 ( -0.935 4.050 -3.792) 5.627 2.343 ( 5.568 -1.840 -1.625) 6.086 2.368 ( 3.632 -5.120 -0.510) 6.298 2.435 ( 3.664 -5.976 -3.212) 7.711 2.475 ( -0.326 8.021 1.783) 8.223 2.607 ( 1.133 -0.291 1.317) 1.762 2.661 ( 2.792 0.183 -0.518) 2.845 2.856 ( -3.042 -0.493 2.489) 3.961 2.935 ( -1.011 0.637 -0.208) 1.213 2.955 ( -2.140 -0.740 3.213) 3.931 3.052 ( -3.869 -3.122 3.539) 6.102 3.146 ( -7.595 -4.756 0.541) 8.978 3.343 ( -0.262 4.096 0.539) 4.140 3.516 ( -5.133 -0.626 -3.077) 6.017 3.619 ( 6.093 10.354 -1.672) 12.130 3.765 ( 5.035 3.309 -4.927) 7.783 4.021 ( -1.053 0.564 4.587) 4.740 4.101 ( 3.225 -3.136 -0.685) 4.550 4.256 ( 2.136 -2.985 1.095) 3.831 4.322 ( 0.110 -1.218 2.261) 2.571 4.394 ( -1.400 0.549 -0.815) 1.711 4.408 ( -0.947 0.307 -0.488) 1.109 6.357 ( 0.303 -0.055 0.095) 0.322 6.459 ( 1.690 0.122 1.189) 2.070 7.144 ( -7.036 -2.282 5.774) 9.383 7.351 ( 1.194 2.038 7.444) 7.810 7.464 ( -3.222 -2.018 -2.910) 4.787 7.858 ( 2.216 -5.347 2.877) 6.464 7.975 ( -0.899 -6.300 -2.591) 6.871 8.138 ( 3.191 2.689 1.308) 4.373 8.281 ( 4.819 -15.136 -10.981) 19.310 8.363 ( 3.873 -5.122 -6.265) 8.972 8.453 ( 4.706 -5.961 -3.195) 8.239 8.496 ( 2.624 -10.686 0.903) 11.041 8.602 ( -1.123 0.209 2.142) 2.428 8.639 ( -4.347 -2.828 0.667) 5.229 8.739 ( -3.731 0.872 0.959) 3.950 8.786 ( 1.069 0.163 0.277) 1.116 8.864 ( -1.462 -5.960 -1.430) 6.301 8.955 ( 1.042 1.962 2.292) 3.192 8.965 ( -3.539 -0.572 -3.002) 4.676 9.071 ( -0.277 7.805 1.584) 7.969 9.093 ( -2.143 1.162 4.034) 4.714 9.231 ( 0.578 -1.812 1.536) 2.444 9.272 ( -1.009 0.414 -5.264) 5.376 9.472 ( -4.365 -3.260 -6.664) 8.607 9.609 ( -1.202 -0.726 1.528) 2.075 9.631 ( -0.592 5.927 3.132) 6.730 9.726 ( -2.726 7.679 -0.086) 8.148 9.850 ( -2.671 -0.686 0.037) 2.758 9.940 ( 5.884 -4.508 0.571) 7.435 10.009 ( 1.726 -0.972 -0.485) 2.039 10.181 ( -3.439 11.318 -0.418) 11.837 10.322 ( -0.892 1.975 4.278) 4.796 10.510 ( 0.562 -0.390 -3.451) 3.518 10.583 ( 0.156 -3.544 3.965) 5.320 10.686 ( 0.995 4.631 -3.223) 5.730 10.758 ( 1.265 0.336 2.820) 3.109 10.977 ( 0.371 4.950 -4.617) 6.779 11.038 ( 1.896 2.267 -0.645) 3.025 11.115 ( 4.506 1.553 -2.926) 5.593 11.264 ( 2.623 -1.315 -0.552) 2.985 11.313 ( -2.744 -1.721 6.016) 6.832 11.414 ( -3.639 3.334 11.789) 12.780 11.755 ( -2.616 -0.465 0.078) 2.658 11.888 ( 0.611 -0.500 -0.361) 0.868 11.976 ( 1.714 1.209 -1.321) 2.479 12.073 ( 0.073 0.894 -1.532) 1.776 12.130 ( -0.647 -1.810 -3.412) 3.916 12.264 ( 2.153 1.552 -1.740) 3.174 12.572 ( -1.007 2.517 -0.280) 2.725 12.626 ( 1.098 1.557 0.311) 1.930 ======================= Grid point 100 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.992 ( -2.565 17.434 1.715) 17.705 2.070 ( -3.491 20.450 1.006) 20.770 2.378 ( 0.723 3.102 -1.623) 3.575 2.455 ( 0.508 2.686 -5.840) 6.448 2.592 ( 5.747 -7.502 0.375) 9.457 2.708 ( 2.474 -6.794 -2.182) 7.552 2.742 ( 0.677 -1.272 2.389) 2.790 2.895 ( -0.980 -4.886 -1.476) 5.197 2.952 ( -4.269 -1.720 1.213) 4.760 2.968 ( -0.745 -4.629 -3.312) 5.741 3.043 ( -4.535 2.849 8.481) 10.030 3.136 ( -3.825 7.361 5.619) 10.019 3.321 ( 0.205 2.239 -0.893) 2.419 3.393 ( -0.974 -2.470 -1.908) 3.270 3.597 ( 1.409 -4.997 -1.573) 5.425 3.758 ( 4.201 -0.756 -5.974) 7.342 4.018 ( 0.220 1.172 5.434) 5.564 4.186 ( 2.530 -2.666 -1.331) 3.909 4.298 ( -0.829 2.198 -2.478) 3.414 4.345 ( 0.582 1.275 2.351) 2.737 4.360 ( 0.324 -1.785 0.499) 1.882 4.400 ( -1.242 -0.124 -0.278) 1.278 6.341 ( -0.547 1.307 0.401) 1.473 6.479 ( 1.318 -0.076 0.058) 1.322 7.138 ( -5.878 -0.788 4.860) 7.668 7.319 ( -1.745 4.411 7.322) 8.724 7.458 ( -1.636 0.232 -0.340) 1.687 7.936 ( 3.972 1.860 4.299) 6.142 7.996 ( -4.076 -0.477 -4.099) 5.800 8.072 ( 3.559 7.735 -2.139) 8.778 8.259 ( 8.702 12.488 -9.389) 17.884 8.300 ( 0.662 16.374 -0.929) 16.414 8.496 ( 0.629 -3.193 -7.257) 7.953 8.544 ( 0.118 13.235 -1.521) 13.323 8.632 ( 1.642 -3.733 -0.742) 4.146 8.696 ( 1.352 -6.445 0.777) 6.631 8.770 ( 3.900 5.651 2.963) 7.478 8.801 ( 1.099 1.460 2.988) 3.503 8.849 ( -6.134 1.839 -1.321) 6.538 8.945 ( -2.580 -4.014 -0.427) 4.791 8.959 ( -3.283 0.198 -0.900) 3.410 9.008 ( -0.647 -13.638 1.216) 13.708 9.174 ( 1.236 -2.377 1.731) 3.190 9.280 ( 1.022 1.492 1.127) 2.131 9.310 ( 1.798 -3.922 1.275) 4.499 9.395 ( -1.816 5.799 -2.457) 6.555 9.531 ( 2.011 -3.296 1.608) 4.182 9.640 ( -0.522 1.776 -1.170) 2.190 9.676 ( -3.934 -3.948 -0.017) 5.573 9.835 ( -4.521 -1.277 -0.226) 4.703 9.930 ( -1.306 6.069 -0.590) 6.236 10.088 ( 3.652 -5.748 -0.171) 6.812 10.191 ( 2.309 -9.064 3.092) 9.851 10.348 ( 1.349 -0.993 4.225) 4.545 10.499 ( -3.568 -1.235 -3.671) 5.266 10.622 ( -2.366 0.612 0.405) 2.477 10.636 ( 3.009 -1.340 -2.148) 3.932 10.781 ( -2.212 -1.184 4.866) 5.474 10.855 ( -2.863 1.087 -8.073) 8.634 11.055 ( 3.822 0.846 2.290) 4.535 11.115 ( 5.785 1.251 -3.084) 6.674 11.265 ( -0.106 1.591 -3.199) 3.574 11.361 ( -4.073 -2.687 6.927) 8.473 11.406 ( -1.029 0.120 9.381) 9.438 11.755 ( -2.515 -1.440 1.078) 3.092 11.873 ( -2.656 0.645 0.528) 2.783 11.958 ( 1.845 1.156 -0.466) 2.226 12.016 ( 1.577 4.228 -2.463) 5.141 12.181 ( 1.035 -4.094 -4.701) 6.319 12.285 ( 1.597 -2.028 -0.910) 2.737 12.557 ( -0.520 -1.635 0.418) 1.766 12.653 ( 1.019 -3.442 -0.627) 3.644 ======================= Grid point 101 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.612 ( -1.816 22.966 7.132) 24.116 1.633 ( -3.476 23.596 4.981) 24.365 2.286 ( 0.663 5.949 -6.511) 8.845 2.350 ( 2.287 4.642 -12.126) 13.184 2.603 ( -4.043 27.722 4.613) 28.393 2.694 ( -2.534 5.118 5.263) 7.767 2.807 ( -0.550 -4.668 1.124) 4.833 2.858 ( 1.236 -7.675 -0.817) 7.817 2.935 ( -2.013 -2.653 5.836) 6.719 2.972 ( -0.367 -2.463 0.158) 2.495 3.097 ( -3.520 -5.627 1.741) 6.862 3.135 ( 2.155 -8.066 -2.770) 8.797 3.406 ( 0.284 -5.777 2.334) 6.237 3.507 ( 1.699 -7.251 -0.203) 7.450 3.728 ( 2.988 -6.590 -4.295) 8.415 3.814 ( 1.734 -5.779 -5.005) 7.840 4.024 ( -0.362 0.192 3.439) 3.463 4.173 ( -0.560 5.652 -5.775) 8.100 4.232 ( -0.074 -0.114 0.165) 0.214 4.323 ( -1.298 1.963 2.176) 3.205 4.373 ( 0.419 1.718 0.968) 2.016 4.416 ( 0.097 -1.561 0.232) 1.581 6.322 ( 0.309 0.490 0.448) 0.732 6.473 ( -0.742 0.669 -1.017) 1.426 7.111 ( -2.840 2.271 3.683) 5.176 7.229 ( -4.213 5.413 6.951) 9.765 7.404 ( -0.263 5.621 1.093) 5.732 7.822 ( 1.036 12.847 -0.015) 12.888 7.852 ( -3.277 10.644 -2.874) 11.502 7.903 ( 1.362 14.019 -2.863) 14.373 8.013 ( 3.781 10.627 2.915) 11.650 8.150 ( 6.483 3.617 -3.854) 8.365 8.256 ( -3.319 13.321 -3.627) 14.200 8.455 ( -0.323 4.704 1.211) 4.869 8.597 ( -0.107 7.774 0.164) 7.777 8.664 ( 3.531 6.726 -3.226) 8.253 8.726 ( 3.113 7.621 4.047) 9.174 8.781 ( 3.216 -2.137 -6.085) 7.207 8.844 ( 4.698 -1.665 -2.996) 5.815 8.891 ( -3.559 1.890 2.870) 4.947 8.978 ( -4.190 1.298 -2.721) 5.162 9.135 ( -4.857 5.056 -3.272) 7.737 9.190 ( 1.721 -0.906 1.836) 2.675 9.341 ( 0.802 -13.916 0.018) 13.939 9.392 ( 2.833 -1.907 2.318) 4.128 9.502 ( 1.238 -9.149 0.493) 9.245 9.572 ( 2.246 2.881 4.183) 5.554 9.622 ( -2.192 -2.854 1.822) 4.033 9.703 ( -5.767 -2.130 -0.765) 6.196 9.837 ( 0.881 -2.146 -0.168) 2.326 9.906 ( 1.520 -3.024 2.405) 4.152 10.222 ( -0.207 -5.774 -2.187) 6.178 10.292 ( -6.850 0.517 2.630) 7.356 10.386 ( 3.273 -2.213 5.416) 6.704 10.516 ( -2.267 -2.320 -3.041) 4.446 10.635 ( 2.127 -3.118 2.796) 4.697 10.722 ( 2.742 -6.051 -1.983) 6.933 10.810 ( -1.425 -2.087 -0.374) 2.554 10.848 ( -0.110 -5.552 -5.734) 7.982 11.080 ( -0.342 -0.722 4.521) 4.591 11.151 ( 6.869 0.025 -2.811) 7.422 11.200 ( -2.329 1.126 -5.008) 5.636 11.381 ( -4.353 -0.712 4.041) 5.982 11.459 ( -1.577 -3.560 3.910) 5.518 11.759 ( -3.434 -1.022 -0.206) 3.589 11.848 ( -1.244 0.411 1.366) 1.893 11.946 ( 0.806 2.696 -1.059) 3.007 11.977 ( 2.633 -0.380 3.587) 4.466 12.241 ( 1.887 -3.098 -4.566) 5.831 12.333 ( 0.196 -2.526 -1.671) 3.035 12.619 ( -0.125 -4.622 0.866) 4.704 12.750 ( 0.792 -6.067 -1.650) 6.337 ======================= Grid point 102 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.184 ( 0.721 24.436 10.866) 26.753 1.229 ( 1.109 23.234 14.573) 27.449 1.965 ( -1.250 37.098 16.260) 40.525 2.123 ( 1.277 7.369 -13.351) 15.303 2.221 ( 2.710 6.429 -18.029) 19.332 2.667 ( -0.191 -1.118 7.248) 7.336 2.839 ( -4.549 -0.470 8.717) 9.844 3.010 ( 0.332 -2.046 -2.064) 2.925 3.029 ( 2.491 -5.764 -1.569) 6.472 3.056 ( -0.801 -8.461 1.130) 8.574 3.170 ( -5.402 -5.290 -2.870) 8.087 3.270 ( 1.967 -6.395 -4.137) 7.866 3.502 ( 1.426 -2.373 5.004) 5.719 3.656 ( 1.222 -7.124 -1.673) 7.419 3.840 ( 0.765 -6.843 -4.306) 8.122 3.942 ( 1.071 -6.895 -6.321) 9.415 4.030 ( 0.438 0.489 0.496) 0.823 4.052 ( 0.198 2.876 -3.045) 4.193 4.221 ( -1.235 1.246 2.072) 2.714 4.277 ( -1.456 2.052 1.025) 2.717 4.332 ( -0.311 3.496 2.338) 4.217 4.423 ( 0.114 1.032 -0.527) 1.165 6.336 ( 1.354 -0.824 0.640) 1.710 6.444 ( -1.844 0.203 -2.103) 2.804 7.021 ( -2.033 6.455 3.963) 7.842 7.116 ( -3.503 6.093 4.830) 8.528 7.230 ( 0.564 13.223 2.043) 13.392 7.572 ( 0.337 11.677 -3.388) 12.163 7.660 ( 1.402 10.454 -1.526) 10.658 7.667 ( -1.221 7.564 1.422) 7.793 7.816 ( 1.491 12.121 0.230) 12.215 7.986 ( -6.247 7.103 -4.871) 10.640 8.211 ( 6.334 -0.301 1.361) 6.485 8.347 ( 2.308 7.116 3.448) 8.237 8.470 ( -0.417 4.949 0.693) 5.015 8.520 ( 0.087 9.195 -0.642) 9.218 8.660 ( 6.925 5.256 -0.422) 8.704 8.796 ( -5.676 1.174 0.493) 5.817 8.831 ( 2.818 -0.315 -3.137) 4.229 8.876 ( -4.753 2.284 -2.119) 5.683 8.913 ( 4.046 -0.557 -6.552) 7.721 8.995 ( 0.732 5.075 -4.203) 6.629 9.180 ( -0.248 3.878 1.333) 4.109 9.392 ( 4.757 3.696 -7.101) 9.312 9.492 ( -1.513 1.113 6.282) 6.556 9.569 ( -3.508 -3.398 -0.542) 4.914 9.636 ( -0.098 -4.160 2.992) 5.126 9.667 ( -2.339 -3.864 0.129) 4.518 9.779 ( -2.719 -9.458 4.103) 10.662 9.927 ( 5.891 -2.702 4.791) 8.060 10.051 ( 3.897 -6.946 3.931) 8.882 10.163 ( -6.444 2.781 -0.838) 7.069 10.324 ( 0.528 -2.502 1.892) 3.181 10.466 ( -1.474 1.054 -1.058) 2.099 10.478 ( -2.754 -2.465 1.859) 4.138 10.740 ( 3.144 -3.471 3.572) 5.890 10.818 ( 0.307 -2.133 -0.137) 2.159 10.914 ( 1.682 -7.968 1.160) 8.225 10.948 ( -0.413 -6.234 -5.327) 8.211 11.099 ( 1.355 0.035 -1.732) 2.200 11.150 ( -1.877 -0.955 0.838) 2.266 11.230 ( 3.321 -3.382 -3.813) 6.083 11.356 ( -4.165 -0.082 -0.333) 4.180 11.541 ( 0.305 -5.273 -1.890) 5.610 11.742 ( -3.907 -1.087 0.621) 4.103 11.843 ( 0.176 0.032 -0.709) 0.731 11.922 ( -0.262 0.585 2.865) 2.936 12.045 ( 1.624 -1.807 7.305) 7.699 12.292 ( 2.034 -2.449 -3.390) 4.651 12.366 ( 0.070 -2.295 -2.202) 3.181 12.715 ( 0.368 -4.630 1.041) 4.760 12.852 ( 0.187 -4.850 -3.228) 5.829 ======================= Grid point 105 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.356 ( 16.121 -0.000 19.152) 25.033 1.386 ( 14.693 -0.000 20.579) 25.286 1.810 ( 11.133 -0.000 -20.623) 23.436 1.882 ( 10.827 -0.000 -20.101) 22.831 2.223 ( 26.313 -0.000 23.640) 35.373 2.789 ( 2.971 -0.000 -7.902) 8.442 2.827 ( -0.452 0.000 2.355) 2.398 2.878 ( -9.826 0.000 -4.763) 10.920 2.965 ( -6.299 0.000 6.847) 9.304 3.050 ( -1.297 0.000 -9.570) 9.657 3.205 ( -4.581 0.000 2.341) 5.145 3.336 ( -1.912 0.000 -2.291) 2.985 3.604 ( -5.961 0.000 6.340) 8.702 3.895 ( 1.043 -0.000 -6.886) 6.965 3.910 ( 2.644 -0.000 3.655) 4.511 4.017 ( 2.354 -0.000 -2.903) 3.738 4.089 ( 0.381 -0.000 -1.986) 2.023 4.090 ( -1.234 0.000 0.596) 1.370 4.123 ( -0.482 0.000 -1.514) 1.589 4.207 ( -1.677 0.000 -0.608) 1.783 4.257 ( -3.264 0.000 2.462) 4.088 4.313 ( 1.659 -0.000 1.931) 2.546 6.377 ( -1.662 0.000 -2.160) 2.726 6.402 ( 2.758 -0.000 0.041) 2.758 6.880 ( -1.726 0.000 7.513) 7.709 6.955 ( -0.218 0.000 4.027) 4.033 7.022 ( 3.594 -0.000 4.011) 5.386 7.218 ( -0.226 0.000 -5.414) 5.418 7.401 ( 1.527 -0.000 3.086) 3.443 7.584 ( -0.964 0.000 -5.844) 5.923 7.641 ( 0.244 -0.000 -2.663) 2.674 8.002 ( 12.529 -0.000 8.141) 14.942 8.054 ( -6.232 0.000 -1.986) 6.541 8.127 ( -2.854 0.000 2.797) 3.995 8.305 ( -5.891 0.000 -3.079) 6.647 8.334 ( -11.265 0.000 -1.285) 11.338 8.393 ( -1.666 0.000 -1.210) 2.059 8.623 ( 1.630 -0.000 3.967) 4.289 8.662 ( 0.584 -0.000 -4.331) 4.370 8.708 ( 0.415 -0.000 -4.523) 4.542 8.939 ( -2.049 0.000 -2.051) 2.899 8.984 ( -0.438 0.000 -4.005) 4.028 9.106 ( 9.726 -0.000 -7.682) 12.394 9.350 ( -10.668 0.000 -4.820) 11.706 9.460 ( -4.992 0.000 8.597) 9.941 9.609 ( -3.388 0.000 3.991) 5.235 9.643 ( -5.746 0.000 1.796) 6.020 9.780 ( 10.987 -0.000 11.581) 15.964 9.782 ( -5.024 0.000 -9.602) 10.837 10.067 ( -1.042 0.000 -0.645) 1.225 10.101 ( 0.714 -0.000 0.883) 1.136 10.286 ( -4.361 0.000 0.245) 4.368 10.371 ( 0.102 -0.000 1.605) 1.609 10.482 ( 2.649 -0.000 0.140) 2.652 10.725 ( 2.290 -0.000 1.908) 2.981 10.835 ( -0.102 0.000 -2.954) 2.956 10.936 ( 4.734 -0.000 2.207) 5.223 10.996 ( 2.106 -0.000 1.950) 2.870 11.031 ( 0.019 -0.000 -3.506) 3.506 11.051 ( -0.788 0.000 -2.010) 2.159 11.270 ( 3.021 -0.000 5.246) 6.054 11.333 ( 2.293 -0.000 1.797) 2.914 11.394 ( 2.682 -0.000 -6.022) 6.592 11.739 ( 2.893 -0.000 -5.935) 6.602 11.785 ( -1.950 0.000 -0.909) 2.151 11.787 ( 1.834 -0.000 1.594) 2.430 11.939 ( -5.269 0.000 9.137) 10.547 12.195 ( -0.983 0.000 6.855) 6.925 12.348 ( 3.104 -0.000 -7.905) 8.492 12.497 ( -2.041 0.000 -4.075) 4.558 12.809 ( 0.132 -0.000 -0.120) 0.178 12.865 ( 1.674 -0.000 0.151) 1.680 ======================= Grid point 106 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.613 ( 13.897 -6.651 14.347) 21.052 1.700 ( 14.341 -9.355 15.804) 23.301 1.879 ( 11.219 -5.610 -17.060) 21.175 1.977 ( 12.549 -7.208 -17.393) 22.626 2.564 ( 16.268 -4.838 14.100) 22.065 2.772 ( -5.738 -0.543 -3.183) 6.584 2.802 ( -7.571 0.943 4.332) 8.774 2.837 ( 2.548 -2.066 -1.695) 3.692 2.884 ( -6.168 2.965 3.889) 7.872 3.032 ( 1.890 -1.870 -10.353) 10.689 3.101 ( -2.957 7.370 1.857) 8.156 3.311 ( -1.649 0.712 -1.127) 2.120 3.568 ( -5.045 1.222 5.723) 7.726 3.816 ( -0.734 8.508 0.249) 8.543 3.897 ( 3.276 0.891 -3.122) 4.612 3.978 ( 1.457 5.164 -2.751) 6.029 3.992 ( 1.458 3.813 -2.978) 5.053 4.090 ( -1.823 1.215 -2.521) 3.340 4.162 ( -0.231 -3.302 1.328) 3.566 4.242 ( -2.180 -2.421 0.636) 3.319 4.270 ( -1.876 -3.639 2.186) 4.641 4.354 ( 0.800 -1.996 1.420) 2.577 6.345 ( -0.259 0.947 -1.525) 1.814 6.439 ( 2.534 -0.848 0.900) 2.820 6.938 ( -2.514 -3.893 7.913) 9.170 7.051 ( 0.635 -8.521 2.902) 9.024 7.163 ( 3.202 -9.102 5.139) 10.932 7.249 ( -1.029 -5.742 -4.263) 7.225 7.470 ( -0.211 -3.862 -0.792) 3.948 7.571 ( -0.254 -3.693 -3.983) 5.438 7.675 ( 1.929 -3.753 -2.224) 4.770 8.069 ( -4.448 -6.761 -2.250) 8.400 8.135 ( 6.754 -2.473 4.749) 8.619 8.187 ( -2.042 -4.892 3.738) 6.486 8.239 ( -3.342 -1.476 1.238) 3.857 8.312 ( -6.393 -5.320 -1.577) 8.465 8.405 ( -0.682 -2.581 -0.253) 2.682 8.666 ( 3.547 0.121 3.566) 5.031 8.676 ( 0.900 -3.235 -5.705) 6.620 8.729 ( 0.640 -3.147 -2.206) 3.896 8.950 ( -3.111 -3.647 -0.181) 4.798 8.986 ( 1.062 -1.743 -7.153) 7.438 9.161 ( 5.297 -1.673 -4.989) 7.466 9.255 ( -9.544 -3.415 -9.024) 13.572 9.459 ( -6.108 0.550 13.620) 14.937 9.548 ( -5.342 2.929 2.188) 6.474 9.615 ( -4.620 -0.537 -2.848) 5.454 9.685 ( -7.246 -0.421 -6.886) 10.005 9.909 ( 9.285 2.655 8.856) 13.103 10.034 ( -0.237 2.879 1.710) 3.357 10.099 ( 0.831 0.363 -0.157) 0.920 10.243 ( -5.167 1.065 2.182) 5.709 10.361 ( 0.171 1.033 -0.012) 1.047 10.482 ( 0.055 1.303 1.036) 1.665 10.704 ( 2.260 3.710 0.829) 4.423 10.818 ( -0.215 2.969 -1.257) 3.231 10.948 ( 5.439 1.736 -1.523) 5.909 10.973 ( 0.610 4.590 -1.555) 4.884 11.003 ( 1.704 3.586 -1.680) 4.311 11.066 ( 5.588 -0.921 2.716) 6.281 11.284 ( 1.983 2.452 1.644) 3.556 11.344 ( 2.262 2.329 1.924) 3.774 11.371 ( 1.122 1.501 -3.821) 4.256 11.682 ( -1.265 4.069 -1.812) 4.630 11.765 ( -1.033 -0.234 -1.469) 1.811 11.819 ( 3.071 -0.298 0.214) 3.093 11.928 ( -2.436 0.972 7.146) 7.612 12.199 ( -2.522 1.265 5.738) 6.394 12.286 ( -0.685 3.956 -8.795) 9.668 12.439 ( 1.702 3.110 -1.674) 3.920 12.798 ( -0.400 1.594 -0.711) 1.791 12.853 ( 1.304 2.660 0.231) 2.972 ======================= Grid point 107 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.937 ( 11.263 -10.958 7.567) 17.441 2.018 ( 10.914 -8.671 -8.751) 16.458 2.070 ( 10.263 -9.095 5.701) 14.851 2.170 ( 12.324 -8.217 -12.151) 19.158 2.662 ( -7.264 0.529 1.387) 7.414 2.707 ( -8.221 -0.443 2.132) 8.504 2.774 ( -4.439 -3.359 -0.526) 5.592 2.821 ( -3.611 0.210 5.890) 6.912 2.920 ( -2.691 9.457 2.410) 10.123 2.942 ( 3.850 -1.389 1.969) 4.542 3.048 ( 3.064 0.532 -4.985) 5.875 3.256 ( 1.350 5.482 0.755) 5.696 3.529 ( -4.655 1.548 3.387) 5.961 3.644 ( 1.035 8.898 2.040) 9.188 3.877 ( 4.928 4.911 -3.440) 7.761 3.906 ( 3.489 1.837 -7.349) 8.340 3.938 ( 0.101 1.082 1.880) 2.171 4.049 ( 0.985 -0.489 -3.687) 3.848 4.215 ( -4.605 -3.079 1.061) 5.640 4.264 ( 2.057 0.156 2.893) 3.553 4.330 ( -1.917 -3.212 1.991) 4.238 4.396 ( -0.709 -1.720 0.088) 1.862 6.337 ( 1.504 -0.145 -0.712) 1.670 6.470 ( 1.190 -0.096 1.346) 1.799 7.020 ( -4.602 -4.077 7.421) 9.638 7.269 ( 2.552 -9.418 4.047) 10.564 7.339 ( -5.472 -6.818 -1.837) 8.933 7.404 ( 2.312 -11.680 1.486) 11.999 7.562 ( 1.910 -9.887 -2.452) 10.364 7.706 ( -0.412 -11.295 -2.662) 11.611 7.806 ( 2.169 -9.991 -2.075) 10.432 8.186 ( 1.393 -7.197 0.604) 7.356 8.198 ( -1.106 -0.614 1.659) 2.087 8.284 ( 1.185 -7.881 2.605) 8.384 8.372 ( 2.062 -5.474 5.298) 7.892 8.395 ( -6.180 -11.059 -2.948) 13.007 8.477 ( 0.108 -6.299 -2.653) 6.836 8.694 ( -0.861 -1.204 -0.325) 1.515 8.738 ( -1.074 -4.817 -4.394) 6.608 8.798 ( 5.035 -1.930 -1.316) 5.550 8.991 ( -2.160 -3.376 -1.338) 4.225 9.012 ( 2.411 -2.245 -3.391) 4.728 9.194 ( -4.442 -4.384 -6.236) 8.823 9.260 ( -1.521 -4.377 -6.444) 7.937 9.435 ( -5.461 3.355 8.730) 10.830 9.446 ( -4.129 4.477 4.330) 7.473 9.538 ( -5.316 0.065 -6.188) 8.158 9.675 ( -1.854 -3.107 2.031) 4.149 9.867 ( -1.060 6.006 1.642) 6.316 9.967 ( -1.661 3.788 0.616) 4.182 10.113 ( 3.709 2.402 2.327) 4.994 10.138 ( -3.642 7.412 1.245) 8.352 10.397 ( 3.315 -2.446 3.919) 5.686 10.454 ( -0.591 1.769 2.787) 3.353 10.628 ( -0.283 5.803 -2.393) 6.283 10.683 ( -1.968 8.818 -1.515) 9.161 10.870 ( 3.064 6.885 2.452) 7.925 10.929 ( 3.838 5.826 -3.345) 7.737 10.996 ( 6.847 -1.417 -2.409) 7.396 11.133 ( 4.673 0.136 0.661) 4.722 11.238 ( 0.244 3.087 -1.295) 3.356 11.283 ( 0.629 5.218 -1.417) 5.443 11.337 ( 0.091 1.756 1.054) 2.050 11.585 ( -1.911 5.037 5.027) 7.369 11.758 ( -1.294 -0.062 -0.337) 1.339 11.854 ( 2.982 -1.342 -1.992) 3.829 11.937 ( 0.046 -0.599 4.271) 4.313 12.124 ( -2.468 4.274 -4.007) 6.358 12.189 ( -2.640 2.552 1.933) 4.150 12.391 ( 2.738 3.594 -2.857) 5.346 12.732 ( -0.775 4.402 -0.769) 4.536 12.791 ( 0.861 4.958 0.319) 5.043 ======================= Grid point 108 (46/115) ======================= q-point: ( 0.56 0.22 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.182 ( 4.521 -6.539 -5.733) 9.801 2.252 ( 9.298 -9.841 -2.037) 13.691 2.313 ( 6.367 -7.719 -1.696) 10.149 2.367 ( 10.477 -3.994 1.748) 11.348 2.586 ( -5.644 0.167 -1.138) 5.760 2.693 ( -1.374 2.032 1.496) 2.873 2.715 ( -0.247 7.735 1.780) 7.941 2.779 ( -7.360 -3.250 -1.271) 8.145 2.892 ( -2.944 -6.076 6.222) 9.182 2.930 ( -2.052 3.901 2.953) 5.306 3.011 ( -6.060 -0.909 0.662) 6.163 3.127 ( 1.796 9.347 -1.007) 9.571 3.443 ( -4.661 2.685 1.273) 5.528 3.517 ( 0.274 7.620 1.331) 7.740 3.809 ( 6.485 4.899 -5.903) 10.045 3.866 ( 4.250 4.766 -5.487) 8.419 3.982 ( 0.469 -3.383 3.341) 4.778 4.090 ( 3.358 -1.525 -1.972) 4.183 4.223 ( -3.349 -2.600 3.522) 5.512 4.305 ( 1.406 -1.500 1.346) 2.458 4.371 ( -0.778 -1.576 0.987) 2.015 4.399 ( -1.932 0.043 -0.794) 2.090 6.362 ( 1.870 -0.507 -0.025) 1.938 6.475 ( 0.187 0.269 0.689) 0.763 7.068 ( -6.006 -2.756 6.998) 9.625 7.372 ( -2.688 -2.348 -1.431) 3.845 7.414 ( 1.836 -2.421 6.443) 7.123 7.690 ( 1.944 -14.166 -0.633) 14.312 7.772 ( -2.488 -12.329 -0.616) 12.592 7.969 ( 3.699 -16.268 -5.348) 17.520 8.071 ( 1.826 -17.131 -1.777) 17.320 8.218 ( 3.599 0.644 2.058) 4.196 8.358 ( 3.418 -8.012 1.103) 8.780 8.426 ( -3.739 -8.021 1.583) 8.990 8.446 ( 0.511 -2.524 -3.536) 4.374 8.595 ( -0.854 -8.646 -2.845) 9.142 8.614 ( -2.133 -10.637 -0.294) 10.853 8.710 ( -3.351 -4.167 -3.701) 6.503 8.755 ( 1.380 0.484 -0.993) 1.768 8.879 ( 1.659 -4.414 -3.318) 5.766 9.029 ( -2.360 1.092 1.539) 3.021 9.066 ( 2.815 -3.868 -0.714) 4.837 9.221 ( 0.779 -3.727 -4.238) 5.697 9.274 ( -2.282 2.187 -0.857) 3.275 9.284 ( -2.447 9.760 5.417) 11.427 9.369 ( -2.112 1.284 -3.474) 4.264 9.523 ( -3.106 -3.433 3.168) 5.610 9.721 ( -3.486 4.625 4.586) 7.387 9.771 ( -1.338 -2.633 -2.109) 3.629 9.902 ( 0.146 2.205 -3.318) 3.987 9.957 ( -0.861 8.620 4.894) 9.949 10.078 ( 1.326 3.672 1.430) 4.158 10.385 ( -2.110 5.233 2.236) 6.069 10.405 ( 0.030 10.029 1.496) 10.140 10.514 ( -1.229 3.996 -6.187) 7.467 10.573 ( 3.735 -1.593 7.026) 8.115 10.777 ( -0.273 6.053 -1.208) 6.178 10.846 ( 5.730 5.267 -0.363) 7.791 11.052 ( -4.738 7.392 -5.188) 10.198 11.077 ( 6.626 -1.599 -2.539) 7.273 11.171 ( 2.308 2.291 -6.150) 6.956 11.243 ( -0.854 -0.112 2.335) 2.489 11.333 ( 1.734 0.652 4.718) 5.069 11.510 ( -2.759 4.516 10.168) 11.463 11.738 ( -1.743 0.518 0.493) 1.884 11.886 ( 1.646 -0.198 -2.486) 2.988 11.990 ( 1.492 -2.974 1.498) 3.649 12.037 ( -0.433 1.603 -3.743) 4.095 12.134 ( -2.429 1.774 1.525) 3.372 12.327 ( 2.215 3.825 -3.186) 5.448 12.633 ( -0.708 4.802 -0.401) 4.871 12.700 ( 0.514 5.021 -0.059) 5.048 ======================= Grid point 109 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.231 ( 2.268 5.514 0.669) 6.000 2.371 ( 1.368 9.619 -2.142) 9.949 2.416 ( 1.226 0.148 -0.038) 1.235 2.433 ( 0.595 -2.548 -2.306) 3.487 2.545 ( 4.359 -1.755 -1.435) 4.913 2.653 ( 2.487 0.794 0.154) 2.615 2.719 ( 0.995 -5.585 -0.260) 5.679 2.780 ( -2.151 -1.726 1.811) 3.299 2.865 ( -4.187 -0.391 -1.791) 4.570 2.963 ( -2.409 3.873 -3.880) 5.988 3.013 ( -3.176 -4.687 6.475) 8.601 3.059 ( -3.637 -5.684 5.923) 8.978 3.378 ( 1.025 4.361 4.218) 6.153 3.424 ( -1.747 -0.885 -3.082) 3.651 3.699 ( 3.256 12.808 -0.451) 13.223 3.775 ( 3.339 1.623 -7.648) 8.502 4.030 ( -2.750 -0.722 4.261) 5.122 4.151 ( 3.700 -3.039 -1.853) 5.134 4.298 ( -0.945 -4.359 2.778) 5.254 4.321 ( -0.661 1.665 -1.500) 2.337 4.379 ( -0.884 -0.912 -0.532) 1.377 4.381 ( 0.308 0.584 0.451) 0.800 6.366 ( 0.210 1.157 0.614) 1.327 6.480 ( 0.186 -0.429 -0.807) 0.933 7.094 ( -4.298 -1.805 7.086) 8.482 7.371 ( -2.930 0.503 1.772) 3.461 7.468 ( 1.086 0.245 5.979) 6.082 7.870 ( -1.284 -6.487 -2.474) 7.061 7.952 ( 0.488 -5.537 -0.522) 5.583 8.197 ( 1.766 1.569 -5.222) 5.731 8.276 ( 4.736 -11.706 -6.304) 14.114 8.405 ( 4.257 -11.989 -2.407) 12.948 8.480 ( 5.130 -0.852 -5.591) 7.636 8.546 ( 0.873 -6.545 0.566) 6.628 8.559 ( -2.800 -9.078 -2.351) 9.787 8.614 ( -0.066 1.219 0.838) 1.481 8.678 ( -2.755 -4.862 1.276) 5.732 8.805 ( -3.024 -2.298 0.703) 3.863 8.820 ( 0.574 -4.205 -1.114) 4.388 8.905 ( 1.047 2.421 1.318) 2.948 8.953 ( -2.735 3.506 1.745) 4.776 9.040 ( -1.115 10.390 2.645) 10.779 9.132 ( -1.777 -1.920 -0.828) 2.744 9.244 ( -0.215 -1.403 1.103) 1.797 9.328 ( 5.117 -1.431 2.322) 5.798 9.375 ( -0.206 -5.728 -5.064) 7.648 9.601 ( -0.510 0.151 -0.422) 0.679 9.612 ( -2.659 0.210 4.857) 5.541 9.698 ( -0.376 12.260 1.671) 12.380 9.763 ( -3.747 -0.458 -3.924) 5.445 10.028 ( 3.865 -4.277 0.601) 5.796 10.067 ( 2.393 -1.728 3.839) 4.843 10.159 ( -1.324 11.270 2.049) 11.531 10.353 ( -0.873 0.017 3.981) 4.076 10.441 ( -2.253 0.671 -6.592) 6.998 10.641 ( 0.203 0.945 2.799) 2.962 10.663 ( 0.273 3.153 -0.049) 3.165 10.814 ( 2.606 2.441 -0.174) 3.575 10.860 ( -1.639 5.791 -4.994) 7.821 11.118 ( 1.505 2.346 -0.804) 2.901 11.131 ( 2.201 -1.024 -5.708) 6.202 11.249 ( -2.253 -0.815 -1.954) 3.091 11.361 ( 0.428 0.483 7.798) 7.824 11.456 ( -3.825 2.747 9.854) 10.921 11.727 ( -1.125 -0.269 1.135) 1.621 11.869 ( -0.632 1.051 -0.791) 1.459 12.000 ( 1.384 1.551 -0.585) 2.159 12.076 ( 1.730 -1.196 -0.728) 2.226 12.098 ( 0.343 -1.165 -3.297) 3.514 12.279 ( 1.244 1.153 -2.144) 2.733 12.558 ( -0.361 2.188 0.132) 2.221 12.635 ( 0.134 1.475 -0.850) 1.708 ======================= Grid point 110 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.028 ( 2.161 17.631 6.427) 18.890 2.054 ( 0.127 20.704 2.678) 20.877 2.385 ( 1.294 4.316 -1.470) 4.739 2.423 ( 2.232 4.728 -7.001) 8.738 2.659 ( 0.509 -7.275 -1.256) 7.401 2.690 ( -0.853 -6.079 -2.847) 6.767 2.779 ( -1.129 0.547 2.337) 2.653 2.839 ( -0.589 -3.134 -0.478) 3.225 2.849 ( -3.850 -1.139 -3.913) 5.606 2.957 ( 1.886 -6.552 -4.500) 8.170 3.040 ( -2.908 1.284 7.972) 8.583 3.126 ( -4.023 3.716 6.013) 8.133 3.365 ( 4.192 5.040 0.729) 6.595 3.422 ( 2.638 -4.959 4.532) 7.218 3.609 ( 0.909 -4.973 -1.104) 5.174 3.757 ( 2.514 -0.086 -7.429) 7.843 4.021 ( -3.770 -0.023 3.334) 5.033 4.208 ( -2.391 -0.271 -3.611) 4.339 4.241 ( 1.701 2.387 -1.622) 3.350 4.349 ( -1.900 1.499 -0.870) 2.572 4.376 ( 0.348 -2.828 1.679) 3.307 4.400 ( 1.120 0.148 1.054) 1.545 6.344 ( 0.170 1.223 1.136) 1.678 6.471 ( -1.249 0.496 -2.131) 2.519 7.123 ( -1.463 -0.537 6.549) 6.732 7.310 ( -4.631 3.859 4.393) 7.459 7.486 ( 2.456 1.848 4.663) 5.585 7.858 ( -6.170 1.393 -6.126) 8.805 8.036 ( 3.489 0.741 2.446) 4.325 8.086 ( 1.898 6.789 -4.177) 8.194 8.296 ( 1.351 16.139 -0.464) 16.202 8.351 ( 5.507 12.241 -5.399) 14.468 8.449 ( 2.943 -2.762 -9.229) 10.073 8.523 ( -1.593 14.311 -2.679) 14.647 8.654 ( 1.225 -3.707 -1.020) 4.035 8.696 ( -0.764 -1.078 0.888) 1.593 8.767 ( -1.381 -5.083 0.701) 5.314 8.825 ( -3.557 -3.700 1.922) 5.480 8.842 ( 0.589 1.177 2.964) 3.244 8.918 ( 0.956 2.850 0.310) 3.022 8.957 ( 3.750 -2.925 3.504) 5.907 9.045 ( 1.207 -13.261 3.213) 13.698 9.147 ( -1.991 -1.787 -1.963) 3.318 9.249 ( -3.786 8.037 -3.630) 9.597 9.308 ( 1.611 -3.548 1.687) 4.246 9.430 ( 0.493 -0.821 1.068) 1.434 9.575 ( -0.673 -2.307 -1.617) 2.897 9.620 ( -0.509 -0.623 1.384) 1.601 9.660 ( 3.262 -0.284 1.233) 3.498 9.772 ( -0.575 -4.126 -0.195) 4.170 9.982 ( 3.299 6.334 5.843) 9.227 10.120 ( 0.334 -3.848 -3.208) 5.021 10.185 ( -4.612 -5.278 3.196) 7.703 10.386 ( -3.865 -2.840 3.172) 5.751 10.426 ( 2.459 -2.680 -3.445) 5.010 10.619 ( -1.365 -3.383 -3.399) 4.986 10.662 ( 2.406 1.306 3.743) 4.637 10.785 ( -0.902 1.684 1.712) 2.565 10.808 ( 6.017 -0.330 -5.647) 8.259 11.082 ( -1.824 0.207 0.025) 1.836 11.141 ( -1.578 -1.046 -4.753) 5.116 11.201 ( -0.828 1.937 -3.840) 4.379 11.373 ( -2.660 1.407 7.906) 8.459 11.440 ( -3.327 -0.579 7.293) 8.037 11.727 ( -1.393 -0.098 0.806) 1.613 11.849 ( -0.050 0.424 -0.469) 0.634 11.983 ( 0.836 1.717 -0.673) 2.025 12.041 ( 2.458 2.265 1.084) 3.514 12.175 ( 2.810 -4.005 -3.946) 6.286 12.282 ( -0.459 -1.550 -2.416) 2.907 12.557 ( -0.071 -2.016 0.808) 2.173 12.651 ( -0.155 -3.569 -1.575) 3.904 ======================= Grid point 111 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.679 ( 3.359 22.378 6.702) 23.600 1.724 ( 4.304 21.034 10.851) 24.056 2.254 ( 3.318 9.399 -9.298) 13.630 2.303 ( 4.529 6.126 -12.850) 14.938 2.636 ( 2.481 23.615 6.291) 24.565 2.690 ( -2.617 1.717 4.255) 5.282 2.785 ( -2.336 -4.031 1.411) 4.868 2.866 ( -4.268 -7.059 2.267) 8.555 2.915 ( 2.506 -8.768 -2.153) 9.370 3.008 ( -7.857 -1.529 2.901) 8.514 3.026 ( 2.638 0.145 2.585) 3.696 3.124 ( 0.183 -8.046 -3.437) 8.751 3.454 ( 1.781 -6.155 3.030) 7.087 3.571 ( 3.014 -4.895 2.669) 6.338 3.717 ( 1.175 -4.334 -6.104) 7.578 3.791 ( 1.224 -6.780 -5.442) 8.780 4.009 ( -3.167 -0.667 1.873) 3.740 4.107 ( -1.251 3.391 -4.313) 5.627 4.250 ( 0.145 1.199 1.147) 1.666 4.293 ( -1.754 1.497 -1.493) 2.747 4.390 ( -0.245 1.978 1.911) 2.761 4.424 ( 0.468 -1.086 0.402) 1.249 6.344 ( 1.062 -0.078 1.717) 2.020 6.428 ( -2.093 1.074 -2.754) 3.622 7.122 ( -0.294 3.393 4.124) 5.349 7.206 ( -4.162 4.641 5.823) 8.531 7.459 ( 3.747 7.239 3.824) 9.004 7.728 ( -5.394 3.857 -4.818) 8.197 7.827 ( 0.317 14.814 -2.713) 15.063 7.929 ( 2.305 16.114 2.295) 16.439 8.060 ( 0.560 13.716 -0.895) 13.757 8.182 ( -2.061 16.176 -3.338) 16.645 8.237 ( 5.495 -1.001 -1.795) 5.866 8.456 ( -0.571 1.720 -0.955) 2.049 8.612 ( 0.692 9.005 -0.081) 9.032 8.657 ( -0.934 4.578 -1.953) 5.064 8.729 ( -7.146 1.463 1.248) 7.400 8.804 ( 2.347 2.582 1.407) 3.763 8.820 ( -2.198 3.120 -2.846) 4.761 8.907 ( 4.555 1.234 -4.243) 6.346 8.982 ( 3.727 5.165 0.595) 6.397 9.091 ( 2.981 4.192 -1.362) 5.322 9.192 ( -1.436 -3.306 -0.532) 3.643 9.342 ( -0.527 -11.513 -0.942) 11.564 9.437 ( -1.739 -6.788 3.286) 7.739 9.498 ( 1.789 -3.796 2.117) 4.700 9.525 ( -6.377 -0.792 3.276) 7.213 9.660 ( 4.817 0.555 -4.923) 6.910 9.688 ( 2.229 -2.158 4.954) 5.846 9.904 ( 3.545 -5.955 0.343) 6.939 10.004 ( 1.707 -2.368 5.488) 6.216 10.118 ( -3.965 -0.961 -0.165) 4.083 10.268 ( -2.335 -4.268 1.372) 5.055 10.382 ( -6.544 -2.281 -2.160) 7.259 10.505 ( 4.855 -0.405 2.250) 5.366 10.690 ( 0.766 -4.399 1.182) 4.619 10.749 ( -0.201 -8.670 -2.224) 8.953 10.773 ( -0.937 -1.540 1.106) 2.115 10.884 ( 7.280 -2.656 -3.199) 8.384 11.084 ( -4.026 -1.359 2.311) 4.837 11.092 ( -1.553 -0.648 -7.519) 7.705 11.192 ( 1.632 -1.339 -2.554) 3.314 11.342 ( -2.916 1.168 3.221) 4.499 11.473 ( -2.129 -2.415 6.120) 6.915 11.714 ( -1.328 0.381 0.732) 1.564 11.843 ( 0.434 0.202 -1.373) 1.454 11.945 ( 0.103 1.686 -0.581) 1.786 12.069 ( 2.438 -0.682 5.549) 6.099 12.249 ( 3.124 -3.015 -3.889) 5.829 12.298 ( -1.583 -2.632 -3.467) 4.632 12.631 ( 0.322 -4.923 1.355) 5.117 12.733 ( -0.687 -5.851 -2.230) 6.299 ======================= Grid point 115 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.750 ( 12.717 -0.000 14.023) 18.930 1.772 ( 11.580 -0.000 16.881) 20.471 1.873 ( 14.126 -0.000 -14.671) 20.366 1.946 ( 15.077 -0.000 -16.387) 22.268 2.632 ( -8.578 0.000 -4.382) 9.633 2.777 ( -5.369 0.000 5.059) 7.377 2.786 ( 15.403 -0.000 10.640) 18.721 2.811 ( -3.980 0.000 0.079) 3.981 2.887 ( -9.152 0.000 7.746) 11.990 2.980 ( 10.078 -0.000 -17.404) 20.111 3.173 ( -1.316 0.000 1.699) 2.149 3.265 ( -3.160 0.000 -3.271) 4.549 3.568 ( -4.500 0.000 6.919) 8.254 3.857 ( 1.017 -0.000 -4.231) 4.351 3.986 ( 0.374 -0.000 3.169) 3.191 4.028 ( 1.864 -0.000 -4.284) 4.672 4.062 ( -2.045 0.000 0.345) 2.074 4.069 ( -0.692 0.000 -0.829) 1.079 4.100 ( -0.252 0.000 0.495) 0.555 4.185 ( -0.148 0.000 -0.503) 0.524 4.202 ( -4.154 0.000 -0.533) 4.188 4.362 ( 1.476 -0.000 1.973) 2.464 6.346 ( -0.464 0.000 -0.497) 0.680 6.458 ( 3.532 -0.000 -0.349) 3.549 6.915 ( -2.040 0.000 7.614) 7.883 6.979 ( -0.849 0.000 3.512) 3.613 7.096 ( -0.513 0.000 1.234) 1.337 7.202 ( 3.607 -0.000 -0.671) 3.669 7.429 ( -1.006 0.000 1.411) 1.733 7.520 ( 0.337 -0.000 -6.763) 6.771 7.660 ( 3.073 -0.000 -0.056) 3.074 7.953 ( -2.697 0.000 -0.280) 2.712 8.099 ( -2.727 0.000 1.408) 3.069 8.127 ( -5.392 0.000 -3.141) 6.240 8.227 ( -1.229 0.000 1.283) 1.776 8.293 ( 6.114 -0.000 7.497) 9.674 8.381 ( -0.242 0.000 2.709) 2.720 8.618 ( -2.035 0.000 -5.312) 5.689 8.660 ( -1.246 0.000 -4.288) 4.465 8.756 ( 8.217 -0.000 4.485) 9.361 8.888 ( -3.299 0.000 0.638) 3.360 8.949 ( 1.437 -0.000 -5.220) 5.414 9.098 ( -7.382 0.000 -10.220) 12.608 9.181 ( 5.654 -0.000 -7.442) 9.346 9.468 ( -7.048 0.000 16.181) 17.649 9.507 ( -9.007 0.000 -5.596) 10.604 9.588 ( -0.569 0.000 0.521) 0.772 9.591 ( -6.224 0.000 -1.243) 6.347 9.993 ( -0.453 0.000 0.652) 0.794 10.078 ( -3.318 0.000 -0.816) 3.417 10.148 ( 10.840 -0.000 9.653) 14.515 10.199 ( -6.150 0.000 0.956) 6.224 10.366 ( -1.663 0.000 0.757) 1.828 10.488 ( -0.069 0.000 -2.161) 2.162 10.724 ( -4.538 0.000 0.278) 4.547 10.866 ( 2.938 -0.000 -0.493) 2.979 10.991 ( 4.942 -0.000 -2.464) 5.522 11.038 ( 3.136 -0.000 -1.188) 3.354 11.067 ( 4.822 -0.000 -0.330) 4.834 11.113 ( 5.983 -0.000 2.217) 6.380 11.324 ( 0.640 -0.000 0.882) 1.089 11.375 ( 2.198 -0.000 -6.237) 6.613 11.393 ( -0.395 0.000 4.018) 4.037 11.685 ( -1.105 0.000 -6.030) 6.130 11.757 ( -0.956 0.000 0.904) 1.316 11.828 ( -0.337 0.000 1.798) 1.829 11.962 ( 0.167 -0.000 6.122) 6.124 12.215 ( -3.790 0.000 6.634) 7.640 12.280 ( -0.464 0.000 -9.875) 9.886 12.475 ( 1.516 -0.000 -1.712) 2.287 12.814 ( 0.407 -0.000 0.215) 0.460 12.888 ( 1.169 -0.000 -0.375) 1.228 ======================= Grid point 116 (51/115) ======================= q-point: ( 0.44 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.913 ( 8.445 -4.374 8.010) 12.435 1.966 ( 13.753 -3.273 -9.231) 16.883 2.026 ( 8.308 -8.091 9.909) 15.254 2.087 ( 13.732 -7.235 -10.098) 18.517 2.556 ( -8.680 -2.568 -3.637) 9.755 2.684 ( -5.437 4.879 0.449) 7.319 2.729 ( -8.029 2.324 4.822) 9.650 2.826 ( -6.881 0.124 8.382) 10.845 2.967 ( 7.063 -1.218 0.521) 7.186 3.039 ( 6.714 0.082 -8.868) 11.123 3.087 ( 0.902 5.480 -1.198) 5.682 3.285 ( 0.498 -2.732 -1.912) 3.372 3.548 ( -3.635 1.730 6.642) 7.766 3.808 ( 0.510 5.785 0.503) 5.830 3.921 ( 1.286 3.539 -2.003) 4.265 3.987 ( 1.443 2.797 -0.550) 3.195 4.002 ( 1.545 3.909 -0.009) 4.203 4.057 ( 1.554 0.645 -3.893) 4.241 4.114 ( -5.509 -1.613 -0.277) 5.746 4.224 ( -0.123 -5.847 0.579) 5.877 4.258 ( -1.563 -3.588 1.502) 4.192 4.380 ( 0.367 -0.352 1.126) 1.236 6.344 ( 0.569 -0.084 0.184) 0.603 6.483 ( 1.985 -0.035 -0.568) 2.065 6.954 ( -3.857 -2.541 8.202) 9.413 7.076 ( -0.146 -9.772 1.784) 9.934 7.153 ( -2.285 -6.920 -1.353) 7.412 7.293 ( 2.710 -5.441 2.160) 6.451 7.449 ( -0.218 -3.316 -0.958) 3.459 7.544 ( 1.633 -5.066 -4.411) 6.913 7.715 ( 2.831 -2.696 1.880) 4.337 8.031 ( 0.884 -8.264 1.411) 8.430 8.112 ( -4.732 -4.849 -2.595) 7.255 8.148 ( -2.389 -6.795 0.688) 7.235 8.249 ( 1.468 -0.949 2.288) 2.879 8.366 ( 1.852 -2.279 3.392) 4.487 8.413 ( 0.145 -1.002 2.644) 2.831 8.587 ( -7.948 -2.799 -2.160) 8.699 8.659 ( 2.486 -2.287 -7.417) 8.150 8.847 ( 7.353 -0.129 0.449) 7.367 8.894 ( -3.429 -3.198 1.684) 4.982 8.972 ( 3.329 -2.817 -4.257) 6.094 9.048 ( -2.153 -3.232 -8.500) 9.345 9.185 ( 0.386 -1.268 -8.640) 8.741 9.417 ( -4.500 0.417 -4.273) 6.220 9.481 ( -5.913 0.330 14.288) 15.466 9.544 ( -0.678 1.753 6.139) 6.421 9.611 ( -1.717 -2.135 2.163) 3.491 9.950 ( -1.161 3.602 -0.633) 3.837 10.018 ( -1.636 2.851 -2.336) 4.033 10.141 ( -5.266 0.936 2.368) 5.849 10.231 ( -0.897 2.887 4.551) 5.464 10.392 ( 5.173 -2.566 1.744) 6.032 10.473 ( -0.484 0.487 -1.129) 1.321 10.662 ( -4.855 1.667 -0.984) 5.227 10.828 ( 0.921 5.898 0.752) 6.016 11.008 ( 1.880 4.741 -0.460) 5.120 11.024 ( 5.242 0.239 -2.128) 5.663 11.074 ( 7.675 4.374 -1.357) 8.937 11.172 ( 4.494 -0.345 -0.066) 4.508 11.294 ( -0.994 3.203 -1.369) 3.622 11.350 ( 0.339 2.790 -2.898) 4.037 11.376 ( -0.800 1.287 1.913) 2.440 11.642 ( -0.853 1.334 -2.758) 3.180 11.753 ( -0.518 0.191 1.292) 1.405 11.836 ( -0.237 -0.691 0.702) 1.013 11.976 ( 0.888 1.279 4.398) 4.665 12.172 ( -2.829 3.302 0.850) 4.431 12.216 ( -1.532 2.351 -2.435) 3.716 12.457 ( 1.993 2.417 -2.445) 3.974 12.795 ( 0.127 2.593 0.104) 2.599 12.870 ( 0.687 2.668 -0.424) 2.788 ======================= Grid point 117 (52/115) ======================= q-point: ( 0.56 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.089 ( 5.443 -6.478 -2.518) 8.828 2.145 ( 7.920 -7.774 -0.838) 11.130 2.234 ( 10.457 -5.706 -7.636) 14.150 2.332 ( -0.361 -11.665 3.664) 12.232 2.521 ( -0.783 3.267 -0.379) 3.380 2.599 ( -4.499 -3.503 2.301) 6.148 2.687 ( -4.512 -2.524 3.936) 6.498 2.826 ( -5.215 -1.699 6.647) 8.618 2.899 ( -1.591 9.487 1.103) 9.682 2.981 ( -1.593 1.337 0.982) 2.300 3.050 ( 3.572 4.717 -4.680) 7.544 3.271 ( 0.451 4.393 -4.250) 6.129 3.477 ( -3.932 4.598 4.250) 7.393 3.692 ( 0.260 8.460 1.706) 8.634 3.865 ( 0.821 1.367 -5.032) 5.278 3.922 ( 4.717 3.412 -4.622) 7.434 4.022 ( 3.778 0.878 4.059) 5.615 4.078 ( 5.317 -2.814 -3.420) 6.919 4.122 ( -6.175 -3.590 1.154) 7.236 4.286 ( -2.574 -1.285 2.675) 3.928 4.320 ( -0.443 -3.943 0.249) 3.976 4.388 ( -0.548 -0.065 0.448) 0.711 6.364 ( 1.318 -0.903 0.536) 1.686 6.481 ( -0.344 0.575 -0.692) 0.963 7.002 ( -4.629 -2.866 7.864) 9.564 7.273 ( -1.104 -6.528 -0.272) 6.626 7.322 ( 0.169 -12.577 2.450) 12.815 7.423 ( 0.069 -10.097 -1.504) 10.208 7.577 ( 0.188 -8.436 1.730) 8.614 7.709 ( 3.411 -12.072 -3.186) 12.943 7.833 ( 1.067 -8.139 1.337) 8.317 8.191 ( -0.586 -8.234 -0.169) 8.257 8.247 ( 0.830 -5.393 0.708) 5.502 8.289 ( -1.455 -9.069 -0.745) 9.216 8.313 ( 1.640 -8.234 1.727) 8.572 8.404 ( -3.769 -1.731 -1.609) 4.449 8.465 ( -0.433 -5.491 1.327) 5.666 8.592 ( -2.383 -4.247 -2.611) 5.526 8.718 ( 2.347 -4.247 -5.950) 7.678 8.865 ( 2.148 0.248 -3.881) 4.443 8.962 ( -1.011 -4.462 1.433) 4.795 9.023 ( 0.524 -1.475 -7.393) 7.557 9.117 ( 1.731 -6.476 -2.152) 7.040 9.195 ( -0.662 -4.251 -6.083) 7.451 9.382 ( 1.726 2.232 1.569) 3.228 9.455 ( -2.972 4.301 9.463) 10.811 9.533 ( -0.282 2.545 7.235) 7.675 9.685 ( 0.285 -4.422 5.808) 7.305 9.841 ( -1.447 6.688 0.783) 6.887 9.944 ( 0.949 3.362 -3.693) 5.083 10.073 ( -3.844 3.548 3.464) 6.274 10.146 ( -2.991 3.424 0.735) 4.606 10.430 ( -1.290 1.067 0.561) 1.766 10.468 ( -2.978 1.578 -3.051) 4.546 10.622 ( 4.460 0.050 2.306) 5.021 10.681 ( 0.578 10.744 2.081) 10.959 10.898 ( -0.162 7.462 -0.794) 7.506 11.018 ( 6.335 7.058 -1.883) 9.669 11.053 ( 1.473 -1.169 -4.503) 4.880 11.153 ( -1.146 6.491 -2.340) 6.995 11.197 ( 2.679 2.108 -5.384) 6.373 11.271 ( -2.805 2.947 0.871) 4.161 11.373 ( 0.310 0.321 2.875) 2.910 11.601 ( -1.001 2.873 4.378) 5.332 11.743 ( -1.149 0.683 0.971) 1.652 11.865 ( 1.956 -2.214 -3.058) 4.252 11.973 ( -0.229 0.935 3.476) 3.607 12.097 ( 1.825 3.500 -0.633) 3.998 12.146 ( -3.898 2.319 1.320) 4.724 12.403 ( 1.845 3.730 -3.478) 5.423 12.724 ( 0.119 4.899 0.167) 4.903 12.798 ( 0.066 4.962 -0.636) 5.003 ======================= Grid point 118 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.229 ( 1.689 -6.113 -1.114) 6.439 2.327 ( -0.074 -7.667 -2.287) 8.001 2.354 ( 4.161 -3.781 -5.261) 7.700 2.409 ( -5.988 -3.479 -4.683) 8.360 2.587 ( 6.761 -3.595 4.157) 8.712 2.683 ( -1.110 0.837 0.665) 1.541 2.692 ( -2.355 3.179 3.142) 5.052 2.757 ( 1.951 0.082 2.491) 3.165 2.870 ( -2.887 -2.021 0.710) 3.595 2.944 ( -0.695 0.714 3.656) 3.789 2.955 ( -0.984 2.408 4.581) 5.268 3.120 ( -0.490 8.014 -3.133) 8.619 3.401 ( -0.497 1.850 1.220) 2.271 3.526 ( -1.332 8.583 2.052) 8.925 3.792 ( -0.579 2.671 -7.285) 7.781 3.900 ( 4.182 4.660 -5.405) 8.271 4.032 ( 0.266 1.335 2.740) 3.059 4.117 ( 0.714 -1.404 -1.252) 2.012 4.207 ( -0.683 -5.329 3.931) 6.657 4.315 ( -0.887 -2.406 0.882) 2.712 4.349 ( -2.510 -0.133 -0.644) 2.594 4.391 ( 1.283 -0.442 0.394) 1.413 6.387 ( 0.676 0.180 0.748) 1.024 6.462 ( -1.529 -0.158 -1.146) 1.917 7.056 ( -2.784 -2.781 8.305) 9.190 7.337 ( -1.401 -1.927 0.424) 2.420 7.479 ( 0.176 -4.053 5.580) 6.898 7.706 ( -3.466 -13.557 -2.517) 14.217 7.742 ( 3.978 -10.961 1.136) 11.715 7.981 ( 3.032 -14.912 -5.671) 16.239 8.067 ( -1.153 -16.196 -1.503) 16.307 8.254 ( -2.911 -1.621 -0.497) 3.369 8.337 ( -5.139 -4.897 -4.399) 8.351 8.405 ( 4.767 -10.157 1.004) 11.265 8.456 ( 0.537 -5.870 1.828) 6.172 8.571 ( 0.813 -7.221 0.170) 7.269 8.609 ( 3.262 -9.933 0.930) 10.496 8.673 ( 2.483 -5.316 -6.122) 8.480 8.751 ( -0.239 -0.164 -4.332) 4.342 8.899 ( 1.844 -3.848 -1.910) 4.675 8.995 ( 0.308 0.296 -1.493) 1.553 9.043 ( -3.570 -4.188 0.434) 5.520 9.227 ( -0.218 -2.251 -3.535) 4.196 9.244 ( 0.012 0.706 0.680) 0.981 9.335 ( 2.055 3.571 3.382) 5.330 9.347 ( 1.774 6.447 2.635) 7.187 9.553 ( 1.154 -2.218 2.789) 3.746 9.708 ( -1.191 6.651 5.116) 8.475 9.763 ( 2.504 1.779 1.155) 3.282 9.872 ( -0.942 2.735 -1.327) 3.182 10.015 ( -0.298 2.874 3.411) 4.470 10.095 ( 0.493 0.649 5.353) 5.415 10.330 ( -4.000 5.540 -5.737) 8.922 10.396 ( -1.456 1.874 1.032) 2.588 10.484 ( 0.785 10.690 2.383) 10.981 10.675 ( -0.266 2.148 -1.509) 2.639 10.739 ( -1.335 5.148 2.404) 5.836 10.895 ( 2.804 6.370 -8.814) 11.231 10.988 ( 0.352 5.737 1.095) 5.851 11.098 ( 1.961 1.182 -5.459) 5.919 11.161 ( 2.199 0.700 -3.665) 4.331 11.208 ( -4.001 0.987 -0.140) 4.123 11.383 ( -3.242 -0.722 5.650) 6.554 11.538 ( -3.421 4.921 8.297) 10.235 11.735 ( 0.952 0.389 1.401) 1.738 11.899 ( 3.101 0.741 -2.263) 3.910 11.974 ( -1.795 -1.886 -1.427) 2.969 12.079 ( 2.041 0.711 1.125) 2.437 12.094 ( -1.196 0.668 0.732) 1.553 12.329 ( 1.520 3.779 -3.712) 5.511 12.631 ( 0.567 5.057 0.401) 5.105 12.694 ( -0.554 5.037 -1.145) 5.195 ======================= Grid point 119 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.300 ( 2.453 3.996 2.637) 5.380 2.359 ( -2.126 4.058 -1.334) 4.772 2.400 ( -2.124 -1.835 -1.408) 3.140 2.442 ( 3.038 -1.071 -2.227) 3.916 2.542 ( -2.253 0.330 -0.749) 2.397 2.603 ( -3.434 1.474 -1.249) 3.940 2.704 ( -3.474 0.017 -0.585) 3.523 2.801 ( 2.486 -1.088 0.133) 2.717 2.879 ( 4.874 -1.505 -4.100) 6.544 2.916 ( 1.214 4.494 1.176) 4.801 3.021 ( -1.595 -5.465 3.841) 6.868 3.085 ( -0.201 -2.286 8.143) 8.461 3.413 ( 1.745 0.706 0.832) 2.058 3.441 ( 3.045 -2.481 0.981) 4.048 3.671 ( -3.690 7.569 -3.043) 8.953 3.788 ( 3.330 5.298 -5.228) 8.154 4.010 ( -2.790 0.880 2.809) 4.056 4.144 ( -2.868 -1.887 -2.639) 4.331 4.280 ( -0.057 -0.224 1.592) 1.609 4.318 ( -1.706 -0.942 1.224) 2.302 4.353 ( 0.212 -1.337 -1.093) 1.740 4.413 ( 1.560 -0.318 0.089) 1.594 6.376 ( 0.148 1.359 1.305) 1.890 6.449 ( -2.112 -0.361 -1.944) 2.893 7.125 ( -0.622 -2.058 8.482) 8.750 7.329 ( -3.938 1.033 2.232) 4.643 7.554 ( 2.891 -0.314 7.408) 7.958 7.774 ( -4.645 -2.557 -6.060) 8.052 7.995 ( 3.753 -8.028 0.719) 8.891 8.145 ( -2.221 -0.143 -3.838) 4.437 8.256 ( 2.335 -10.937 -10.300) 15.204 8.412 ( -1.840 -11.712 -0.703) 11.877 8.486 ( -0.348 -13.644 -1.984) 13.792 8.540 ( 4.886 -0.355 -4.354) 6.554 8.616 ( 1.310 1.835 -1.225) 2.566 8.652 ( 3.948 -6.549 0.786) 7.687 8.671 ( -0.143 -1.807 1.756) 2.524 8.709 ( -3.915 -0.913 -0.496) 4.051 8.823 ( 1.823 -3.022 -1.726) 3.929 8.949 ( 0.901 4.384 2.670) 5.212 8.976 ( -1.129 0.731 0.482) 1.429 9.051 ( 2.056 2.487 1.701) 3.648 9.106 ( -1.286 0.425 5.026) 5.205 9.237 ( -1.213 -0.176 -0.325) 1.268 9.330 ( 1.469 -0.629 -1.908) 2.489 9.411 ( 3.037 -4.408 0.072) 5.354 9.583 ( 0.619 2.215 -4.448) 5.008 9.656 ( 0.130 0.966 2.173) 2.382 9.725 ( -0.563 4.264 2.116) 4.794 9.735 ( 4.523 5.779 1.849) 7.567 10.037 ( -3.178 -2.436 0.072) 4.005 10.103 ( -1.310 1.899 2.892) 3.700 10.217 ( 3.244 4.679 5.417) 7.859 10.319 ( -4.672 2.611 2.350) 5.846 10.402 ( 1.198 -0.663 -1.384) 1.947 10.564 ( -1.424 0.657 -5.228) 5.459 10.716 ( -0.097 2.546 2.082) 3.290 10.813 ( 4.252 2.001 -8.144) 9.402 10.906 ( 0.722 4.272 3.529) 5.588 11.037 ( -1.685 1.078 -5.637) 5.981 11.133 ( -3.314 2.423 -0.923) 4.208 11.196 ( 1.637 -1.278 -2.679) 3.390 11.400 ( -5.501 -1.943 8.353) 10.189 11.444 ( -5.364 4.357 7.746) 10.381 11.745 ( 2.041 1.031 1.844) 2.938 11.873 ( 1.251 2.142 -0.931) 2.649 11.999 ( -0.072 -1.069 -1.753) 2.054 12.064 ( -0.741 -0.797 -2.988) 3.179 12.136 ( 3.734 -1.466 1.246) 4.200 12.268 ( 0.444 1.885 -3.200) 3.740 12.565 ( 0.696 2.476 0.602) 2.641 12.618 ( -0.778 1.335 -1.532) 2.176 ======================= Grid point 120 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.108 ( 3.892 17.578 2.854) 18.229 2.154 ( 4.137 16.413 7.311) 18.438 2.385 ( 0.340 3.963 -2.651) 4.780 2.409 ( 3.534 5.647 -7.871) 10.312 2.584 ( -5.031 -8.563 -0.863) 9.969 2.675 ( -0.995 -5.239 -2.455) 5.871 2.686 ( -5.308 -5.569 -1.700) 7.879 2.815 ( 1.245 -1.023 -1.138) 1.973 2.864 ( -0.184 -0.193 2.265) 2.281 2.978 ( 3.929 -3.500 -1.970) 5.618 3.070 ( -0.130 1.938 2.252) 2.974 3.136 ( -1.102 2.413 8.669) 9.066 3.443 ( 2.166 6.046 1.036) 6.506 3.498 ( 1.505 -5.899 3.010) 6.791 3.612 ( 2.175 -7.089 -2.466) 7.814 3.723 ( 0.309 1.358 -6.316) 6.468 3.991 ( -1.906 0.206 3.615) 4.092 4.102 ( -4.364 0.597 -3.596) 5.686 4.274 ( 0.278 1.052 1.117) 1.559 4.297 ( -1.722 1.209 -1.870) 2.815 4.400 ( 1.113 -2.297 0.439) 2.590 4.419 ( 0.049 0.730 0.822) 1.101 6.364 ( 0.531 0.797 1.656) 1.913 6.419 ( -1.860 0.564 -2.000) 2.789 7.181 ( 0.741 0.182 7.007) 7.049 7.260 ( -5.142 3.089 4.142) 7.290 7.606 ( 5.555 2.364 6.755) 9.060 7.706 ( -5.254 1.514 -6.152) 8.231 8.035 ( -1.358 7.718 -2.276) 8.161 8.136 ( 3.068 -2.407 0.835) 3.988 8.301 ( 2.771 10.694 -6.103) 12.621 8.344 ( -0.813 9.960 -3.085) 10.459 8.439 ( 2.986 6.229 -9.335) 11.613 8.475 ( 0.386 13.634 -2.310) 13.834 8.641 ( -3.287 -1.223 1.443) 3.793 8.656 ( -3.436 -2.539 1.502) 4.529 8.768 ( -1.516 -4.798 2.583) 5.656 8.793 ( 1.044 -2.036 -2.541) 3.419 8.880 ( 1.541 1.737 1.421) 2.722 8.972 ( -0.682 -7.327 0.865) 7.409 9.004 ( 2.012 0.936 1.180) 2.513 9.085 ( 1.405 -5.473 3.906) 6.869 9.151 ( -3.902 3.865 -4.138) 6.877 9.164 ( 1.628 -3.002 2.004) 3.959 9.362 ( 4.004 -0.440 2.968) 5.003 9.482 ( -2.341 -0.738 -3.414) 4.205 9.517 ( 4.842 0.469 3.845) 6.201 9.647 ( 4.745 -1.981 -3.404) 6.166 9.725 ( 0.561 0.958 0.954) 1.463 9.784 ( -0.183 -6.695 -0.367) 6.707 9.982 ( -6.063 -0.088 -0.206) 6.067 10.147 ( 4.894 0.218 3.560) 6.055 10.191 ( -0.497 0.837 3.811) 3.933 10.273 ( -7.166 -2.399 2.669) 8.014 10.494 ( 3.383 -6.798 -1.275) 7.699 10.580 ( -0.872 -2.845 -2.771) 4.066 10.670 ( -0.918 0.750 -2.699) 2.947 10.777 ( 1.121 1.398 -3.882) 4.276 10.909 ( 4.750 -0.731 2.629) 5.478 11.007 ( -2.005 -1.762 -5.375) 6.001 11.065 ( -1.782 1.146 1.071) 2.374 11.207 ( 2.232 0.931 -1.575) 2.886 11.362 ( -4.927 2.590 5.523) 7.841 11.431 ( -6.210 -2.532 9.415) 11.559 11.744 ( 2.595 1.663 1.305) 3.347 11.849 ( 0.605 0.834 -1.867) 2.132 11.976 ( 0.082 1.602 -1.997) 2.561 12.089 ( 1.136 -1.265 1.454) 2.238 12.202 ( 2.460 -2.785 -2.387) 4.416 12.237 ( -0.747 -0.330 -3.618) 3.709 12.569 ( 0.486 -2.079 1.087) 2.396 12.627 ( -0.807 -3.438 -1.571) 3.865 ======================= Grid point 125 (56/115) ======================= q-point: ( 0.44 0.44 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.945 ( -1.450 0.000 4.380) 4.614 1.998 ( -2.785 0.000 10.307) 10.677 2.038 ( 14.870 -0.000 -4.547) 15.550 2.098 ( 16.281 -0.000 -11.315) 19.827 2.469 ( -1.495 0.000 -0.904) 1.747 2.694 ( -6.273 0.000 2.892) 6.907 2.745 ( -3.263 0.000 2.698) 4.234 2.777 ( -10.443 0.000 9.641) 14.213 3.014 ( 3.227 -0.000 -1.430) 3.529 3.052 ( 9.936 -0.000 -12.768) 16.179 3.161 ( -1.728 0.000 -3.027) 3.485 3.208 ( 0.210 -0.000 -2.341) 2.351 3.577 ( -1.502 0.000 7.994) 8.134 3.865 ( 0.908 -0.000 1.790) 2.007 3.964 ( -3.176 0.000 1.583) 3.548 4.011 ( 1.132 -0.000 -3.949) 4.108 4.046 ( 0.153 -0.000 2.086) 2.092 4.064 ( 1.113 -0.000 -1.661) 1.999 4.112 ( -2.849 0.000 -2.536) 3.814 4.153 ( 2.191 -0.000 1.356) 2.576 4.186 ( -0.010 0.000 0.412) 0.412 4.380 ( -0.691 0.000 0.343) 0.771 6.347 ( 0.224 -0.000 0.710) 0.744 6.493 ( 1.314 -0.000 -1.885) 2.298 6.933 ( -3.306 0.000 7.200) 7.923 6.983 ( -1.717 0.000 2.494) 3.028 7.067 ( -0.649 0.000 -1.301) 1.453 7.265 ( 1.063 -0.000 1.514) 1.850 7.410 ( -1.042 0.000 0.272) 1.077 7.501 ( 3.772 -0.000 -5.219) 6.440 7.736 ( 2.612 -0.000 5.535) 6.121 7.946 ( -1.163 0.000 0.107) 1.168 8.043 ( -0.182 0.000 0.844) 0.863 8.060 ( -1.932 0.000 -0.899) 2.131 8.280 ( 2.681 -0.000 3.227) 4.196 8.358 ( 0.286 -0.000 3.079) 3.092 8.402 ( -3.912 0.000 -0.901) 4.015 8.487 ( -5.951 0.000 -0.842) 6.011 8.628 ( 3.919 -0.000 -9.143) 9.947 8.839 ( -4.022 0.000 2.494) 4.733 8.886 ( 0.963 -0.000 -4.803) 4.899 8.951 ( 2.301 -0.000 -0.726) 2.413 8.984 ( 2.444 -0.000 -8.431) 8.778 9.130 ( 0.739 -0.000 -11.520) 11.544 9.415 ( 5.189 -0.000 1.528) 5.409 9.494 ( -6.052 0.000 15.878) 16.992 9.597 ( 0.058 -0.000 11.285) 11.286 9.598 ( 0.319 -0.000 2.479) 2.499 9.976 ( 0.569 -0.000 -1.392) 1.504 10.023 ( -0.198 0.000 -2.830) 2.837 10.107 ( -5.483 0.000 1.959) 5.823 10.231 ( -7.698 0.000 -1.567) 7.856 10.426 ( 5.010 -0.000 2.414) 5.562 10.465 ( 0.563 -0.000 -3.914) 3.954 10.636 ( -3.958 0.000 3.631) 5.372 10.898 ( 1.058 -0.000 1.252) 1.639 11.044 ( 2.809 -0.000 -4.692) 5.468 11.070 ( 1.522 -0.000 0.018) 1.522 11.192 ( 3.008 -0.000 -0.762) 3.104 11.193 ( 8.046 -0.000 0.511) 8.062 11.308 ( -1.786 0.000 -2.445) 3.028 11.368 ( -4.892 0.000 2.465) 5.478 11.376 ( 1.451 -0.000 -3.283) 3.590 11.622 ( 0.027 -0.000 -5.653) 5.653 11.755 ( -1.125 0.000 1.161) 1.616 11.840 ( 0.763 -0.000 1.873) 2.022 12.011 ( 0.323 -0.000 3.359) 3.374 12.178 ( -6.583 0.000 5.606) 8.646 12.233 ( 3.943 -0.000 -5.823) 7.032 12.484 ( 1.242 -0.000 -2.400) 2.702 12.823 ( 0.171 -0.000 0.576) 0.601 12.897 ( 0.494 -0.000 -0.781) 0.925 ======================= Grid point 126 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.949 ( -9.147 -5.238 -0.350) 10.547 2.047 ( -14.128 -8.928 3.541) 17.084 2.162 ( 13.754 -1.699 -1.275) 13.917 2.232 ( 14.428 -3.759 -8.834) 17.330 2.529 ( 5.359 -2.327 3.921) 7.036 2.640 ( -5.178 0.027 3.039) 6.004 2.672 ( 1.509 5.356 4.630) 7.239 2.762 ( -8.155 -1.112 8.266) 11.665 2.974 ( -3.948 0.728 -5.280) 6.632 3.042 ( -0.375 5.499 -1.250) 5.651 3.108 ( 3.695 0.079 -7.966) 8.782 3.245 ( -1.045 -2.187 -5.118) 5.663 3.570 ( -0.634 3.987 8.160) 9.104 3.826 ( -0.703 5.731 1.134) 5.884 3.924 ( 1.108 3.024 -1.609) 3.600 4.003 ( -1.482 -1.910 -0.618) 2.495 4.015 ( -0.063 5.694 -4.021) 6.971 4.059 ( 3.332 -0.944 0.479) 3.496 4.088 ( 4.079 -1.333 1.751) 4.635 4.227 ( -0.765 -4.981 0.818) 5.106 4.246 ( -1.295 -2.555 1.483) 3.225 4.374 ( -1.524 -0.609 -0.494) 1.714 6.359 ( 0.373 -0.611 1.173) 1.375 6.483 ( -0.536 0.518 -2.201) 2.324 6.952 ( -4.385 -1.973 7.958) 9.298 7.072 ( -1.299 -9.935 0.482) 10.031 7.137 ( 0.687 -7.782 -0.442) 7.825 7.304 ( -1.092 -3.122 0.538) 3.351 7.454 ( 0.400 -5.256 0.237) 5.277 7.566 ( 4.588 -5.421 -3.647) 7.984 7.785 ( 0.129 -1.041 7.165) 7.241 8.016 ( -1.822 -8.166 -0.927) 8.418 8.102 ( -0.593 -6.053 -0.271) 6.088 8.122 ( 2.801 -6.103 1.830) 6.960 8.291 ( -2.583 -0.688 1.439) 3.036 8.336 ( -7.059 -0.061 -4.966) 8.631 8.404 ( 0.991 -2.766 4.109) 5.052 8.517 ( 4.831 -3.095 -1.128) 5.847 8.653 ( 5.070 -2.529 -7.139) 9.114 8.820 ( -5.209 -0.902 -2.414) 5.812 8.872 ( -4.470 -3.606 -0.986) 5.827 8.963 ( 0.001 -1.965 -7.633) 7.882 9.021 ( 3.279 -4.042 -5.340) 7.457 9.129 ( 6.815 -1.041 -7.816) 10.422 9.493 ( 8.450 1.755 8.084) 11.825 9.512 ( -1.903 0.620 11.161) 11.339 9.607 ( -2.270 1.805 8.930) 9.389 9.660 ( 1.558 -2.368 9.490) 9.904 9.944 ( 1.397 4.038 -0.639) 4.320 9.994 ( 1.603 2.590 -5.355) 6.161 10.085 ( -2.436 -0.181 4.438) 5.066 10.126 ( -8.890 0.475 -5.634) 10.535 10.435 ( -0.450 1.139 -2.812) 3.067 10.453 ( -2.947 0.321 0.929) 3.107 10.656 ( 3.404 -0.743 3.088) 4.656 10.857 ( 0.897 5.877 2.506) 6.452 11.023 ( -0.190 4.254 -2.385) 4.880 11.035 ( 0.993 1.770 -3.316) 3.888 11.157 ( 1.176 4.966 -2.728) 5.787 11.222 ( -1.021 2.425 -0.954) 2.799 11.263 ( 2.909 2.063 -1.112) 3.736 11.299 ( -2.855 3.340 -0.952) 4.496 11.369 ( -2.277 -0.192 -0.335) 2.309 11.618 ( 1.174 -0.846 -2.724) 3.084 11.746 ( -1.119 0.241 0.576) 1.282 11.857 ( 2.125 0.065 1.047) 2.370 12.012 ( -0.207 1.104 2.394) 2.645 12.124 ( -6.893 1.719 4.589) 8.458 12.221 ( 5.739 3.712 -2.662) 7.335 12.458 ( 0.885 2.376 -3.010) 3.936 12.801 ( 0.196 2.710 0.659) 2.796 12.869 ( -0.070 2.876 -0.958) 3.032 ======================= Grid point 127 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.991 ( -12.524 -10.159 -3.060) 16.414 2.104 ( -17.315 -10.712 -2.498) 20.513 2.307 ( 11.101 -1.933 1.009) 11.313 2.370 ( 12.060 -2.461 -6.799) 14.061 2.592 ( -2.734 -3.689 4.463) 6.403 2.653 ( 4.784 0.728 2.668) 5.525 2.716 ( 1.653 -3.016 4.641) 5.777 2.758 ( -8.184 -3.055 6.045) 10.623 2.892 ( -0.260 6.960 1.952) 7.233 2.940 ( -1.763 -0.669 -0.440) 1.936 3.073 ( 3.077 4.071 -4.545) 6.834 3.193 ( -2.289 3.482 -6.424) 7.657 3.499 ( 0.762 6.068 6.272) 8.760 3.673 ( -2.764 8.372 1.428) 8.931 3.840 ( 0.268 6.028 -4.112) 7.302 3.935 ( -0.568 0.811 -4.733) 4.835 4.018 ( 0.542 -0.790 -3.514) 3.643 4.148 ( 5.090 -3.065 -2.147) 6.318 4.153 ( 2.560 -0.261 6.004) 6.532 4.259 ( -3.078 -1.868 3.744) 5.194 4.300 ( -1.846 -2.957 0.135) 3.489 4.382 ( -0.202 -1.363 -0.485) 1.461 6.384 ( 0.079 -1.058 1.444) 1.792 6.450 ( -1.684 0.901 -1.775) 2.608 7.006 ( -3.127 -3.675 7.804) 9.176 7.262 ( -2.272 -7.752 1.012) 8.141 7.341 ( 1.536 -11.649 0.928) 11.787 7.401 ( -0.625 -11.058 -0.477) 11.086 7.603 ( 2.046 -9.309 -0.030) 9.531 7.742 ( 3.227 -10.828 -2.992) 11.689 7.849 ( -2.965 -5.128 4.861) 7.662 8.167 ( -0.225 -5.432 0.366) 5.449 8.198 ( -2.911 -5.687 -1.228) 6.506 8.250 ( -4.303 -5.582 -5.794) 9.123 8.311 ( -1.574 -8.770 0.661) 8.935 8.404 ( 3.775 -9.770 3.953) 11.195 8.521 ( 4.473 -6.110 3.745) 8.447 8.583 ( 1.175 -2.054 -7.608) 7.968 8.741 ( 4.933 -1.984 -2.411) 5.839 8.808 ( 0.168 -4.545 -4.822) 6.628 8.924 ( -3.283 -4.502 0.296) 5.580 8.976 ( 1.856 -2.261 -6.800) 7.402 9.126 ( 3.104 -6.016 -4.686) 8.233 9.200 ( 5.880 -2.938 -2.703) 7.107 9.487 ( -1.792 4.104 7.233) 8.507 9.523 ( 1.968 7.208 7.986) 10.936 9.580 ( 3.177 2.077 3.738) 5.327 9.790 ( 0.188 -3.572 12.052) 12.571 9.852 ( 0.617 4.814 0.285) 4.862 9.894 ( -0.438 5.147 -4.551) 6.885 10.041 ( -3.472 0.302 -3.525) 4.957 10.135 ( 3.059 -0.931 6.411) 7.164 10.349 ( -4.020 4.476 -5.047) 7.853 10.416 ( -1.532 1.366 1.152) 2.354 10.690 ( -1.331 2.728 -0.962) 3.184 10.730 ( 2.126 8.477 3.919) 9.578 10.865 ( -1.536 8.885 -0.110) 9.018 10.989 ( 0.515 2.757 -10.824) 11.182 11.030 ( 0.477 5.494 -0.972) 5.600 11.150 ( -3.582 2.197 -0.054) 4.203 11.196 ( -2.715 3.294 -3.858) 5.754 11.243 ( 4.160 3.934 0.179) 5.728 11.346 ( -5.460 -0.420 3.262) 6.374 11.612 ( -1.843 2.316 2.455) 3.846 11.755 ( 2.758 -0.860 0.366) 2.912 11.887 ( 2.250 -1.262 -0.747) 2.685 11.990 ( -0.182 2.155 1.693) 2.747 12.047 ( -7.201 0.989 1.369) 7.396 12.188 ( 5.877 4.100 1.008) 7.236 12.394 ( 0.897 3.560 -3.920) 5.371 12.737 ( 0.949 4.785 0.811) 4.945 12.783 ( -0.781 5.231 -1.299) 5.446 ======================= Grid point 128 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.096 ( -10.774 -13.170 -3.473) 17.366 2.150 ( -13.411 -10.835 -4.390) 17.791 2.409 ( 6.541 -0.174 2.359) 6.955 2.460 ( 6.086 -0.334 -4.021) 7.302 2.624 ( -3.139 1.322 -1.597) 3.761 2.657 ( 0.112 2.703 0.066) 2.706 2.738 ( 0.478 3.312 3.775) 5.045 2.806 ( -1.545 -3.966 6.694) 7.933 2.853 ( 0.965 -3.551 3.448) 5.043 2.965 ( 1.734 3.702 -0.133) 4.090 3.023 ( 1.628 2.443 -3.773) 4.781 3.092 ( 1.604 -0.509 3.607) 3.981 3.445 ( 3.482 2.459 1.267) 4.447 3.511 ( -2.344 6.833 2.399) 7.612 3.712 ( -1.633 4.770 -5.708) 7.616 3.871 ( -2.363 3.090 -4.020) 5.594 4.003 ( -1.161 0.376 -4.863) 5.013 4.143 ( 1.085 2.793 2.851) 4.136 4.245 ( 0.034 -3.142 4.591) 5.564 4.309 ( -0.463 -2.658 0.144) 2.701 4.316 ( -1.019 -0.568 1.095) 1.600 4.410 ( 1.219 -1.126 -0.960) 1.918 6.401 ( -0.514 -0.088 1.598) 1.680 6.415 ( -1.777 0.367 -1.355) 2.265 7.094 ( -1.564 -4.108 7.777) 8.933 7.311 ( -3.506 -0.997 2.689) 4.530 7.555 ( 4.095 -6.413 4.979) 9.094 7.615 ( -3.460 -9.801 -3.888) 11.097 7.831 ( 4.091 -11.838 1.562) 12.622 7.970 ( -1.499 -12.963 -1.496) 13.135 8.002 ( -0.930 -12.946 -6.419) 14.480 8.207 ( -3.350 -5.556 -1.514) 6.662 8.260 ( 0.942 -6.782 0.305) 6.854 8.445 ( 0.473 -12.026 -0.291) 12.039 8.474 ( -0.694 -6.545 2.340) 6.985 8.569 ( -3.651 -5.426 -4.269) 7.810 8.631 ( 3.410 -7.209 -0.497) 7.990 8.746 ( 6.144 -4.635 -5.239) 9.310 8.756 ( 7.493 -1.787 -0.336) 7.710 8.893 ( 3.008 -3.073 -6.771) 8.021 8.999 ( -0.046 -5.713 2.628) 6.289 9.013 ( -1.915 -0.755 2.898) 3.555 9.218 ( 1.424 -2.588 -2.195) 3.680 9.269 ( 1.803 5.304 2.859) 6.290 9.378 ( 0.469 2.131 0.150) 2.187 9.413 ( 2.731 7.312 0.862) 7.853 9.578 ( 2.273 0.873 -2.037) 3.175 9.736 ( -6.614 1.667 -2.829) 7.384 9.777 ( 4.005 6.472 3.802) 8.508 9.940 ( 3.847 3.179 7.894) 9.338 9.994 ( -1.921 0.083 2.562) 3.203 10.166 ( -2.114 4.274 4.331) 6.442 10.221 ( 0.165 0.453 -3.719) 3.750 10.383 ( -2.367 3.266 2.093) 4.545 10.500 ( -4.040 6.238 -2.844) 7.957 10.614 ( 3.654 8.250 1.333) 9.121 10.778 ( 0.279 3.193 2.583) 4.116 10.871 ( 3.103 4.573 -10.730) 12.070 10.941 ( -2.867 3.474 -1.132) 4.645 11.066 ( -5.350 2.519 -1.210) 6.036 11.136 ( -0.173 0.593 -4.089) 4.135 11.212 ( 3.881 2.381 0.597) 4.592 11.333 ( -7.159 -1.886 6.886) 10.110 11.525 ( -4.800 5.162 5.567) 8.982 11.803 ( 4.464 0.567 2.443) 5.120 11.929 ( -0.073 2.222 -0.688) 2.327 11.937 ( -1.088 -2.011 -0.915) 2.463 12.004 ( -3.172 -1.617 -3.178) 4.773 12.186 ( 4.338 1.884 2.821) 5.507 12.317 ( 1.101 3.550 -4.234) 5.634 12.654 ( 1.011 5.425 0.471) 5.539 12.669 ( -0.589 4.934 -1.124) 5.095 ======================= Grid point 129 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.246 ( -7.195 -10.138 -4.295) 13.153 2.261 ( -6.147 -11.838 -2.080) 13.500 2.403 ( 3.023 5.544 -0.732) 6.357 2.474 ( -1.769 1.044 0.683) 2.164 2.494 ( 0.160 5.833 -1.123) 5.942 2.614 ( 3.210 6.189 3.853) 7.965 2.681 ( 0.014 3.115 0.027) 3.115 2.814 ( 2.455 1.559 -1.543) 3.292 2.881 ( 0.067 2.491 -1.640) 2.983 2.990 ( -1.450 -5.882 8.636) 10.549 3.046 ( 5.419 -0.221 -4.543) 7.075 3.171 ( 0.284 -1.520 7.985) 8.133 3.429 ( -1.101 -1.038 0.036) 1.514 3.508 ( 1.844 -4.138 -1.243) 4.698 3.581 ( -0.198 5.258 -4.122) 6.684 3.755 ( -1.866 4.738 -4.314) 6.673 3.979 ( -2.489 -1.659 -0.681) 3.068 4.099 ( -0.538 3.579 3.380) 4.952 4.290 ( -1.382 -0.171 1.225) 1.855 4.305 ( 0.191 1.028 1.460) 1.795 4.362 ( 1.302 -2.771 -0.916) 3.196 4.427 ( 0.292 -0.171 -0.349) 0.486 6.392 ( -1.575 0.531 -0.053) 1.663 6.401 ( 0.181 0.143 0.807) 0.839 7.188 ( -0.376 -3.123 7.446) 8.083 7.280 ( -4.926 1.858 4.257) 6.770 7.646 ( -3.572 -1.121 -6.100) 7.157 7.694 ( 4.705 -1.445 7.923) 9.327 8.033 ( -1.202 -5.985 -0.256) 6.110 8.094 ( 0.415 -2.794 -1.556) 3.225 8.219 ( 4.873 -9.928 -12.848) 16.952 8.363 ( -2.591 -12.749 -1.253) 13.070 8.497 ( 1.472 -10.026 0.994) 10.182 8.552 ( -1.906 -10.902 0.378) 11.073 8.584 ( -1.085 -1.818 3.215) 3.850 8.608 ( 4.026 7.419 -10.848) 13.745 8.707 ( 1.388 -3.461 -0.057) 3.730 8.764 ( 3.230 4.831 0.972) 5.892 8.878 ( 3.306 2.258 0.773) 4.077 8.920 ( -2.037 -2.282 0.357) 3.079 9.009 ( -0.026 -2.866 -0.044) 2.866 9.092 ( 0.188 -1.492 4.475) 4.720 9.118 ( -1.155 5.398 2.060) 5.892 9.232 ( 0.263 1.524 1.848) 2.410 9.364 ( 3.826 -1.621 -1.542) 4.432 9.420 ( -1.447 -1.113 -6.368) 6.625 9.575 ( 1.379 -0.871 -0.596) 1.737 9.683 ( -2.768 -2.125 -1.332) 3.736 9.730 ( 6.991 5.132 2.246) 8.958 9.803 ( -0.558 8.429 -0.587) 8.468 9.969 ( -2.928 3.694 1.603) 4.979 10.166 ( 2.177 -2.062 7.976) 8.521 10.222 ( -7.702 0.428 -3.707) 8.558 10.233 ( -3.495 2.198 0.818) 4.209 10.470 ( 5.675 2.432 4.909) 7.887 10.562 ( 3.007 0.641 -1.536) 3.437 10.696 ( -0.343 4.600 -4.673) 6.567 10.793 ( -0.564 1.642 -5.754) 6.010 10.904 ( 1.332 -1.388 0.943) 2.143 10.989 ( -3.211 1.272 -0.093) 3.455 11.099 ( 1.182 1.969 -0.744) 2.414 11.223 ( 2.054 -0.136 -2.155) 2.980 11.357 ( -6.786 -3.115 9.187) 11.838 11.411 ( -5.518 4.647 6.808) 9.919 11.816 ( 2.596 2.344 3.059) 4.647 11.869 ( -0.598 1.736 -1.647) 2.467 11.964 ( -1.178 -1.449 -2.450) 3.081 12.039 ( 0.809 -3.897 -3.146) 5.074 12.195 ( 2.213 1.048 -0.010) 2.449 12.253 ( 0.947 2.501 -2.860) 3.915 12.576 ( -0.320 1.965 -0.298) 2.013 12.604 ( 0.860 2.129 0.000) 2.296 ======================= Grid point 135 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.774 ( -17.662 0.000 -1.994) 17.774 1.822 ( -19.854 0.000 2.101) 19.964 2.275 ( 12.369 -0.000 -5.969) 13.734 2.278 ( 13.438 -0.000 3.795) 13.963 2.598 ( -6.454 0.000 1.716) 6.679 2.599 ( 9.698 -0.000 4.234) 10.582 2.706 ( -7.510 0.000 8.124) 11.063 2.788 ( 1.502 -0.000 2.152) 2.625 2.849 ( -16.477 0.000 -6.633) 17.762 3.059 ( 5.112 -0.000 -9.711) 10.975 3.094 ( -1.200 0.000 -2.797) 3.043 3.236 ( 3.828 -0.000 -1.835) 4.245 3.655 ( 0.737 -0.000 10.496) 10.522 3.883 ( 0.917 -0.000 -1.302) 1.592 3.925 ( -1.517 0.000 -1.445) 2.096 4.009 ( 1.987 -0.000 -2.929) 3.540 4.051 ( -1.288 0.000 -2.001) 2.380 4.076 ( 2.031 -0.000 -1.704) 2.652 4.136 ( 4.470 -0.000 7.004) 8.309 4.187 ( -0.173 0.000 0.309) 0.354 4.190 ( 0.319 -0.000 0.897) 0.952 4.342 ( -2.857 0.000 -1.968) 3.469 6.363 ( 0.655 -0.000 1.496) 1.633 6.469 ( -1.466 0.000 -2.784) 3.146 6.926 ( -5.036 0.000 7.909) 9.376 6.966 ( -1.782 0.000 0.854) 1.976 7.051 ( -0.726 0.000 -1.987) 2.116 7.284 ( 0.765 -0.000 3.169) 3.260 7.399 ( -0.688 0.000 -0.993) 1.208 7.543 ( 5.092 -0.000 -3.726) 6.310 7.809 ( -2.668 0.000 8.896) 9.288 7.929 ( 1.245 -0.000 0.698) 1.427 8.026 ( -0.178 0.000 -1.949) 1.957 8.120 ( 4.425 -0.000 3.065) 5.383 8.235 ( -9.536 0.000 -6.115) 11.328 8.258 ( -2.506 0.000 1.056) 2.720 8.409 ( 1.548 -0.000 5.592) 5.803 8.544 ( 8.268 -0.000 -5.848) 10.128 8.669 ( 9.719 -0.000 -0.934) 9.763 8.723 ( -10.114 0.000 -7.174) 12.400 8.803 ( -3.037 0.000 3.613) 4.720 8.904 ( -0.471 0.000 -7.780) 7.794 8.992 ( 4.950 -0.000 -6.336) 8.040 9.171 ( 10.812 -0.000 -8.393) 13.687 9.531 ( -3.941 0.000 12.457) 13.065 9.645 ( 0.424 -0.000 7.525) 7.537 9.651 ( 6.342 -0.000 11.527) 13.156 9.682 ( 2.153 -0.000 10.104) 10.331 9.979 ( -14.240 0.000 -10.472) 17.676 10.001 ( 2.884 -0.000 -1.222) 3.132 10.023 ( 4.266 -0.000 -6.229) 7.550 10.094 ( 1.044 -0.000 4.970) 5.079 10.426 ( -4.358 0.000 2.871) 5.218 10.449 ( 1.486 -0.000 -3.232) 3.557 10.689 ( 2.667 -0.000 2.962) 3.986 10.920 ( -0.290 0.000 0.371) 0.471 11.030 ( 1.776 -0.000 -2.433) 3.013 11.083 ( -0.911 0.000 -0.033) 0.911 11.184 ( -4.694 0.000 -0.856) 4.771 11.221 ( -2.347 0.000 -2.322) 3.301 11.268 ( -4.448 0.000 0.849) 4.528 11.330 ( -1.113 0.000 -6.255) 6.353 11.345 ( 2.087 -0.000 0.896) 2.271 11.611 ( 3.739 -0.000 -3.915) 5.414 11.743 ( -0.288 0.000 0.742) 0.796 11.887 ( 2.550 -0.000 1.385) 2.902 12.015 ( -2.351 0.000 -0.153) 2.356 12.107 ( -6.700 0.000 6.424) 9.282 12.305 ( 7.699 -0.000 -3.303) 8.378 12.477 ( 0.482 -0.000 -2.027) 2.083 12.828 ( -0.305 0.000 0.828) 0.883 12.891 ( -0.294 0.000 -1.056) 1.097 ======================= Grid point 136 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.675 ( -19.235 -7.624 -2.981) 20.904 1.736 ( -21.974 -9.050 -0.164) 23.765 2.375 ( 9.577 -3.043 -4.158) 10.875 2.412 ( 9.623 -0.835 7.013) 11.937 2.542 ( -8.120 -0.022 -0.099) 8.121 2.614 ( -12.055 -3.838 -3.649) 13.167 2.677 ( -1.684 0.900 2.947) 3.512 2.738 ( -0.402 1.800 6.014) 6.291 2.860 ( 1.518 -5.267 0.141) 5.483 3.015 ( -0.984 5.492 -1.674) 5.825 3.093 ( 5.679 -0.400 -5.446) 7.878 3.238 ( 3.134 2.470 -3.314) 5.187 3.650 ( -0.003 5.187 9.612) 10.923 3.809 ( -1.474 7.221 0.353) 7.378 3.906 ( 0.112 0.675 -2.549) 2.640 3.965 ( 0.927 5.616 -3.544) 6.705 4.024 ( 2.350 0.693 -3.307) 4.116 4.109 ( 3.278 -3.230 -1.680) 4.899 4.195 ( 2.256 -0.240 4.340) 4.897 4.215 ( -1.295 -3.319 1.483) 3.859 4.239 ( -0.634 -1.494 2.067) 2.628 4.330 ( -1.800 -2.571 -1.610) 3.527 6.379 ( 0.649 -0.236 1.572) 1.717 6.440 ( -1.842 0.289 -1.982) 2.721 6.942 ( -4.582 -2.820 7.479) 9.213 7.046 ( -2.176 -9.371 0.545) 9.636 7.122 ( -1.827 -9.225 -1.723) 9.561 7.333 ( 2.572 -2.165 4.229) 5.402 7.451 ( -0.126 -6.815 -1.819) 7.055 7.615 ( 4.628 -4.859 -3.770) 7.697 7.806 ( -6.080 -0.262 8.125) 10.152 8.035 ( 2.123 -7.767 -0.120) 8.053 8.082 ( 1.114 -5.688 -0.947) 5.873 8.116 ( -7.558 -1.594 -5.796) 9.657 8.210 ( 2.201 -1.807 2.999) 4.136 8.312 ( 3.964 -5.048 3.106) 7.131 8.479 ( 2.001 -3.231 6.107) 7.192 8.545 ( 0.559 0.987 -9.255) 9.324 8.664 ( -2.111 -4.013 -7.559) 8.814 8.801 ( 11.127 -2.572 3.978) 12.094 8.833 ( -1.006 -3.240 3.671) 4.999 8.906 ( 2.896 -2.954 -8.989) 9.895 9.043 ( 4.603 -3.655 -5.358) 7.953 9.221 ( 8.851 -0.187 -7.664) 11.709 9.544 ( -2.541 0.906 8.958) 9.356 9.624 ( -6.312 3.579 9.782) 12.180 9.691 ( 1.227 0.450 6.868) 6.991 9.781 ( -4.065 1.800 -3.959) 5.953 9.838 ( -0.665 -2.343 4.419) 5.046 9.995 ( 2.989 3.155 0.545) 4.380 10.027 ( 4.738 0.987 -6.422) 8.042 10.155 ( 3.364 -2.203 4.953) 6.380 10.380 ( -3.645 2.514 0.049) 4.428 10.436 ( 0.631 1.475 -0.374) 1.647 10.705 ( -0.859 0.934 -0.308) 1.306 10.872 ( -1.710 4.296 0.907) 4.712 11.001 ( -1.449 4.553 -4.820) 6.787 11.011 ( 1.543 4.767 0.714) 5.061 11.117 ( -6.453 0.984 0.079) 6.528 11.152 ( -1.830 4.852 -0.286) 5.193 11.206 ( -2.720 1.996 -2.944) 4.478 11.293 ( -1.327 0.650 -3.177) 3.504 11.348 ( -0.117 1.239 1.149) 1.694 11.631 ( 2.612 0.404 -2.110) 3.381 11.758 ( 2.439 -0.808 0.409) 2.601 11.906 ( 1.100 0.410 1.707) 2.072 11.981 ( -3.823 -0.007 -2.554) 4.598 12.060 ( -5.052 2.697 6.615) 8.750 12.318 ( 6.630 3.321 -2.608) 7.860 12.445 ( 0.679 3.052 -1.774) 3.595 12.812 ( 0.362 1.959 0.888) 2.181 12.852 ( -0.798 3.187 -1.218) 3.504 ======================= Grid point 137 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.711 ( -16.623 -13.815 -2.406) 21.748 1.768 ( -18.690 -13.335 -3.697) 23.255 2.476 ( 6.068 -1.398 -7.415) 9.682 2.487 ( -1.848 -1.413 6.446) 6.852 2.575 ( -0.743 -7.022 -0.400) 7.073 2.628 ( -4.090 -2.542 -1.613) 5.079 2.658 ( -5.619 -5.657 -0.084) 7.974 2.718 ( -3.485 0.058 8.294) 8.996 2.904 ( -0.442 4.806 3.532) 5.981 2.999 ( 5.134 -3.424 0.535) 6.194 3.091 ( 4.458 4.071 -2.848) 6.676 3.167 ( 3.347 5.246 -2.355) 6.654 3.567 ( -0.386 6.391 4.947) 8.091 3.651 ( -0.489 8.493 2.301) 8.813 3.809 ( -0.138 7.297 -3.279) 8.001 3.884 ( 1.092 2.692 -3.570) 4.603 4.001 ( 1.179 1.741 -6.659) 6.983 4.193 ( 2.115 -2.145 -2.484) 3.904 4.215 ( -1.110 -0.655 4.848) 5.016 4.257 ( -1.882 -1.995 4.644) 5.393 4.282 ( -0.082 -2.890 1.176) 3.121 4.381 ( 1.134 -2.586 -0.836) 2.945 6.379 ( -1.650 0.036 -1.021) 1.941 6.426 ( -0.012 0.206 1.691) 1.703 7.017 ( -2.986 -5.173 6.771) 9.029 7.215 ( -3.795 -8.086 1.819) 9.116 7.325 ( -2.380 -14.760 -0.802) 14.972 7.468 ( 5.323 -7.406 3.201) 9.666 7.632 ( 2.306 -12.211 -2.290) 12.636 7.763 ( 3.333 -9.405 -6.099) 11.695 7.808 ( -6.741 -3.018 7.300) 10.385 8.043 ( -9.447 -5.022 -6.198) 12.364 8.210 ( 3.627 -4.562 1.947) 6.145 8.269 ( 5.218 -9.577 2.821) 11.266 8.319 ( 1.803 -7.796 1.292) 8.105 8.450 ( -0.425 -3.189 -4.814) 5.790 8.539 ( 2.906 -5.069 2.307) 6.281 8.623 ( 2.738 -8.327 3.265) 9.354 8.727 ( 3.400 -4.310 -7.078) 8.957 8.900 ( 2.488 -2.335 -4.770) 5.864 8.954 ( 10.369 -1.463 1.148) 10.535 8.964 ( 1.909 -3.747 -1.843) 4.591 9.145 ( 3.262 -4.931 -4.461) 7.406 9.283 ( 4.463 -3.416 -2.344) 6.090 9.487 ( -4.921 7.114 3.656) 9.391 9.533 ( -1.342 2.425 1.696) 3.249 9.635 ( -10.911 1.095 -3.991) 11.670 9.696 ( 3.142 5.092 3.729) 7.050 9.931 ( 2.879 4.093 4.213) 6.541 9.974 ( 2.905 -2.102 7.198) 8.042 10.016 ( 1.929 1.111 -3.422) 4.082 10.243 ( -2.528 2.706 4.412) 5.760 10.268 ( 3.173 2.410 -1.246) 4.175 10.413 ( -0.097 1.046 1.110) 1.528 10.564 ( -7.859 8.825 -2.822) 12.149 10.784 ( 0.506 4.445 2.003) 4.902 10.889 ( 0.763 4.724 -4.361) 6.475 10.916 ( -0.739 5.172 -1.698) 5.493 11.017 ( -3.293 5.359 0.741) 6.333 11.056 ( -1.689 3.155 -1.388) 3.838 11.141 ( 0.855 2.234 -4.764) 5.331 11.266 ( -1.914 0.023 0.995) 2.157 11.312 ( -2.259 2.272 3.895) 5.043 11.597 ( -1.047 3.815 1.374) 4.188 11.820 ( 4.018 -2.634 -0.848) 4.879 11.898 ( -4.437 -0.246 1.077) 4.572 11.942 ( -1.908 0.859 0.298) 2.113 11.991 ( -1.667 2.693 0.833) 3.275 12.292 ( 4.811 3.685 0.417) 6.074 12.371 ( 0.381 3.811 -3.322) 5.070 12.754 ( -1.201 5.364 -1.366) 5.664 12.769 ( 1.883 4.389 0.904) 4.861 ======================= Grid point 138 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.874 ( -12.101 -16.868 -3.135) 20.995 1.896 ( -12.033 -16.640 -2.378) 20.672 2.441 ( -3.457 1.120 -3.598) 5.113 2.510 ( 1.663 0.852 -2.343) 2.997 2.583 ( 1.554 3.686 -1.403) 4.239 2.661 ( 1.356 -1.019 0.944) 1.941 2.799 ( 2.841 -4.189 5.131) 7.207 2.841 ( -3.153 -8.289 7.602) 11.681 2.895 ( -2.444 -5.768 4.943) 7.980 2.950 ( 0.320 7.667 -4.331) 8.812 3.007 ( 2.943 3.780 -1.433) 5.000 3.166 ( -0.241 0.475 2.789) 2.840 3.467 ( -1.916 4.791 -0.375) 5.174 3.524 ( 1.824 5.367 0.722) 5.714 3.667 ( 1.720 6.469 -3.734) 7.665 3.815 ( 0.426 4.401 -3.094) 5.397 3.942 ( -0.491 0.855 -3.752) 3.880 4.186 ( 0.681 2.481 3.246) 4.142 4.275 ( -0.462 -2.630 2.370) 3.571 4.294 ( -1.438 -2.132 1.413) 2.934 4.332 ( 1.254 -1.202 0.737) 1.887 4.417 ( 0.716 -0.822 -1.076) 1.532 6.361 ( -1.971 -0.558 -1.251) 2.400 6.431 ( 0.764 0.665 2.598) 2.789 7.127 ( -1.575 -5.404 6.279) 8.433 7.270 ( -4.957 -1.086 4.893) 7.050 7.531 ( -3.245 -7.361 -3.243) 8.674 7.678 ( 4.926 -7.564 4.085) 9.908 7.877 ( -1.473 -8.258 2.449) 8.738 7.913 ( -0.074 -14.965 -2.494) 15.172 7.969 ( 2.273 -13.462 -7.166) 15.419 8.112 ( -3.060 -9.930 -3.875) 11.090 8.329 ( 3.162 -5.265 2.714) 6.715 8.468 ( 2.425 -3.565 -0.995) 4.425 8.483 ( 0.486 -7.662 3.429) 8.408 8.539 ( 2.307 -11.571 0.697) 11.820 8.681 ( 2.022 -4.218 -3.725) 5.979 8.793 ( 6.278 -1.985 -3.532) 7.472 8.827 ( 1.106 -6.822 -1.243) 7.022 8.888 ( 2.800 -0.803 -8.226) 8.727 9.027 ( 0.762 1.294 4.419) 4.667 9.069 ( 4.145 -3.675 3.764) 6.697 9.202 ( -1.938 -1.579 -2.766) 3.728 9.300 ( -2.157 9.753 0.303) 9.993 9.364 ( 0.166 -1.554 -0.906) 1.806 9.454 ( 2.471 6.436 -0.790) 6.939 9.569 ( -1.454 -3.012 -5.597) 6.520 9.622 ( -2.176 3.783 4.534) 6.293 9.858 ( -0.599 4.758 -0.597) 4.833 9.965 ( -1.359 5.180 0.337) 5.366 10.005 ( -0.246 2.127 -3.752) 4.320 10.156 ( -3.335 1.341 8.260) 9.008 10.249 ( 1.302 6.563 4.303) 7.955 10.330 ( -3.104 7.449 1.543) 8.216 10.466 ( 3.477 -4.535 -2.734) 6.335 10.703 ( 0.928 6.719 0.732) 6.823 10.776 ( -4.035 2.385 -3.424) 5.804 10.813 ( 2.975 7.150 0.446) 7.757 10.940 ( 3.026 2.316 0.723) 3.879 10.973 ( -4.108 1.774 -2.425) 5.090 11.106 ( 0.703 0.027 -5.644) 5.688 11.247 ( 0.814 1.557 -0.633) 1.868 11.301 ( -4.245 -1.360 9.763) 10.733 11.497 ( -3.504 5.751 4.640) 8.178 11.855 ( -5.939 0.357 0.949) 6.025 11.890 ( 2.775 0.192 1.994) 3.423 11.917 ( -0.940 -0.805 -0.218) 1.256 11.969 ( 1.335 -1.752 -5.236) 5.681 12.268 ( 3.018 3.578 1.478) 4.909 12.295 ( 0.717 2.615 -4.299) 5.083 12.635 ( -0.921 5.153 -0.899) 5.311 12.697 ( 2.140 5.288 0.617) 5.738 ======================= Grid point 145 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.391 ( -24.322 0.000 -2.080) 24.410 1.449 ( -25.336 0.000 1.303) 25.370 2.282 ( -33.047 0.000 -7.491) 33.886 2.374 ( 2.308 -0.000 -1.519) 2.763 2.490 ( -4.068 0.000 15.624) 16.145 2.568 ( 7.331 -0.000 -3.398) 8.080 2.724 ( -1.898 0.000 -9.191) 9.385 2.752 ( 2.231 -0.000 6.258) 6.644 2.856 ( 9.366 -0.000 5.159) 10.693 3.058 ( 0.586 -0.000 -3.695) 3.741 3.142 ( 8.919 -0.000 -2.400) 9.237 3.276 ( 3.534 -0.000 -3.428) 4.923 3.735 ( -3.539 0.000 11.014) 11.569 3.876 ( -0.402 0.000 -0.939) 1.021 3.917 ( 3.077 -0.000 -2.705) 4.097 4.025 ( 2.116 -0.000 -1.572) 2.636 4.034 ( 0.978 -0.000 -1.870) 2.111 4.102 ( 2.199 -0.000 -0.889) 2.372 4.165 ( -2.328 0.000 -1.033) 2.546 4.195 ( 1.358 -0.000 -0.415) 1.420 4.264 ( 2.164 -0.000 6.769) 7.107 4.265 ( -2.746 0.000 -3.458) 4.416 6.398 ( 1.704 -0.000 1.659) 2.378 6.415 ( -1.927 0.000 -2.154) 2.890 6.903 ( -5.416 0.000 8.027) 9.683 6.942 ( -2.096 0.000 1.245) 2.438 7.006 ( -1.894 0.000 -1.445) 2.382 7.358 ( 2.677 -0.000 5.369) 5.999 7.361 ( -1.650 0.000 -2.383) 2.898 7.598 ( 5.110 -0.000 -4.001) 6.490 7.779 ( -7.253 0.000 7.280) 10.276 7.940 ( -7.596 0.000 -6.685) 10.118 8.030 ( 1.555 -0.000 -1.324) 2.042 8.038 ( 1.309 -0.000 0.656) 1.464 8.260 ( 5.292 -0.000 4.819) 7.158 8.321 ( 6.936 -0.000 3.495) 7.767 8.477 ( -1.872 0.000 2.443) 3.078 8.555 ( -0.290 0.000 0.338) 0.445 8.570 ( 5.993 -0.000 -11.485) 12.955 8.797 ( -0.671 0.000 3.101) 3.173 8.867 ( 4.379 -0.000 -7.641) 8.807 8.912 ( 11.608 -0.000 6.314) 13.214 9.027 ( 4.725 -0.000 -5.217) 7.039 9.247 ( 6.264 -0.000 -11.151) 12.790 9.532 ( -11.748 0.000 0.905) 11.782 9.640 ( -5.159 0.000 -4.797) 7.044 9.654 ( -5.984 0.000 10.543) 12.123 9.755 ( 1.279 -0.000 11.473) 11.544 9.924 ( 7.911 -0.000 5.982) 9.918 10.047 ( 2.577 -0.000 -1.023) 2.773 10.055 ( 4.810 -0.000 -6.596) 8.163 10.169 ( 2.060 -0.000 3.183) 3.791 10.378 ( -3.322 0.000 1.403) 3.606 10.460 ( 1.309 -0.000 -1.252) 1.811 10.704 ( -2.542 0.000 0.137) 2.546 10.891 ( -1.003 0.000 -1.533) 1.832 11.009 ( -8.991 0.000 -0.984) 9.045 11.033 ( -2.921 0.000 -1.786) 3.424 11.127 ( 3.936 -0.000 5.266) 6.574 11.158 ( -3.088 0.000 -5.454) 6.268 11.214 ( -4.592 0.000 6.116) 7.648 11.276 ( 2.722 -0.000 -9.099) 9.497 11.354 ( -0.810 0.000 0.773) 1.120 11.661 ( 4.719 -0.000 -2.986) 5.585 11.775 ( 2.510 -0.000 1.202) 2.782 11.901 ( -5.511 0.000 1.551) 5.725 11.952 ( 1.135 -0.000 -4.090) 4.244 12.075 ( -5.335 0.000 8.028) 9.639 12.365 ( 2.858 -0.000 -6.263) 6.884 12.508 ( 4.821 -0.000 0.516) 4.848 12.828 ( -0.517 0.000 0.959) 1.090 12.869 ( -1.112 0.000 -1.229) 1.658 ======================= Grid point 146 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.299 ( -22.319 -11.769 -1.027) 25.253 1.340 ( -24.368 -10.909 0.001) 26.698 2.083 ( -33.187 -13.634 -2.150) 35.943 2.411 ( -0.680 -3.664 -3.820) 5.337 2.515 ( -7.630 -1.601 10.790) 13.311 2.568 ( -2.467 -0.546 -7.758) 8.159 2.699 ( 9.110 2.542 1.198) 9.534 2.785 ( 3.719 2.060 4.840) 6.442 2.989 ( 7.742 -3.261 2.497) 8.764 3.005 ( 2.346 4.700 -1.446) 5.448 3.185 ( 5.860 1.808 -2.802) 6.742 3.269 ( 4.698 2.941 -2.901) 6.256 3.680 ( -5.585 5.184 6.540) 10.042 3.811 ( 1.070 6.122 2.076) 6.553 3.906 ( 1.019 3.968 -0.731) 4.161 3.970 ( 3.936 4.359 -5.136) 7.802 4.026 ( 1.477 2.012 -3.257) 4.103 4.123 ( 0.090 -2.348 -2.827) 3.676 4.190 ( -1.510 -3.246 1.591) 3.917 4.219 ( -0.473 -1.883 0.056) 1.943 4.255 ( -0.706 -1.084 2.508) 2.822 4.336 ( 1.729 -3.229 1.829) 4.094 6.374 ( -1.230 1.248 -1.573) 2.355 6.432 ( 1.066 -0.743 1.572) 2.040 6.927 ( -4.358 -3.720 7.045) 9.081 7.017 ( -2.248 -8.776 1.965) 9.270 7.078 ( -1.817 -8.890 -0.151) 9.075 7.418 ( 1.550 -5.938 1.555) 6.331 7.440 ( 1.601 -6.272 0.985) 6.548 7.649 ( 3.163 -3.320 -5.145) 6.892 7.758 ( -5.500 -0.405 6.953) 8.875 7.853 ( -9.598 -3.042 -5.894) 11.667 8.101 ( 1.334 -6.594 -1.272) 6.847 8.158 ( 5.013 -7.576 1.751) 9.252 8.322 ( 5.535 -0.389 4.244) 6.986 8.413 ( 3.782 -0.903 -1.674) 4.233 8.488 ( 2.925 -4.008 0.802) 5.026 8.563 ( 2.323 -1.169 -0.146) 2.605 8.656 ( 5.551 -4.436 -3.166) 7.779 8.841 ( 1.000 -3.347 1.259) 3.713 8.917 ( 5.979 -2.881 -4.116) 7.810 9.028 ( 7.885 -0.850 -1.445) 8.062 9.081 ( 4.565 -3.141 -1.579) 5.762 9.237 ( 0.350 -1.197 -7.665) 7.766 9.405 ( -11.686 -2.199 -9.480) 15.207 9.597 ( -1.495 3.739 9.011) 9.870 9.648 ( -1.287 1.992 5.867) 6.328 9.814 ( 1.730 1.937 8.630) 9.012 9.996 ( 5.111 -0.393 5.517) 7.531 10.020 ( -2.116 2.508 -1.268) 3.518 10.049 ( 4.217 1.745 -6.800) 8.190 10.220 ( -1.740 -2.450 1.897) 3.554 10.329 ( -0.158 2.555 -1.067) 2.773 10.451 ( -0.434 0.994 0.613) 1.245 10.631 ( -6.321 4.827 0.588) 7.975 10.849 ( -0.795 3.038 -0.814) 3.244 10.904 ( -4.952 3.590 -1.930) 6.414 10.970 ( -2.738 2.094 -1.054) 3.605 11.081 ( -2.350 2.544 -3.879) 5.200 11.146 ( 0.742 4.570 4.982) 6.801 11.187 ( 1.032 1.751 0.179) 2.040 11.258 ( 1.786 0.778 -4.182) 4.613 11.345 ( -0.470 1.193 2.705) 2.993 11.662 ( 2.183 2.375 -1.678) 3.636 11.809 ( 2.336 -1.047 0.152) 2.564 11.852 ( -5.436 0.165 0.910) 5.514 11.949 ( 1.685 -0.102 -4.421) 4.733 12.034 ( -5.677 2.932 8.114) 10.327 12.345 ( 1.346 0.857 -5.487) 5.714 12.481 ( 3.128 6.305 0.081) 7.039 12.817 ( -0.964 2.697 -0.899) 3.002 12.839 ( 1.158 1.051 0.379) 1.609 ======================= Grid point 147 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.418 ( -16.777 -18.073 0.476) 24.665 1.437 ( -16.739 -18.531 -1.467) 25.015 2.245 ( -20.211 -25.647 2.587) 32.756 2.407 ( -6.467 -1.496 -5.822) 8.829 2.482 ( -1.004 -1.398 -11.398) 11.527 2.602 ( -3.197 -4.492 5.881) 8.061 2.751 ( -0.200 -2.031 10.225) 10.426 2.799 ( 10.026 4.794 1.376) 11.198 2.947 ( 1.328 3.150 4.526) 5.672 3.056 ( 1.902 3.335 -2.557) 4.612 3.148 ( 5.593 4.333 -2.233) 7.419 3.229 ( 3.392 4.573 -0.033) 5.693 3.543 ( -4.535 5.721 1.973) 7.562 3.690 ( 0.629 9.080 1.331) 9.199 3.798 ( 2.377 6.351 -2.198) 7.129 3.913 ( 4.580 5.170 -3.953) 7.959 3.968 ( 1.456 2.857 -2.951) 4.358 4.165 ( -1.128 -4.717 -5.445) 7.291 4.224 ( -1.562 -0.912 4.253) 4.622 4.268 ( -1.629 -1.950 4.737) 5.375 4.304 ( 0.698 -3.049 1.091) 3.313 4.403 ( 1.591 -1.625 -0.287) 2.292 6.339 ( -1.154 0.491 -1.521) 1.971 6.454 ( 0.631 0.005 2.313) 2.398 7.023 ( -2.708 -6.348 5.968) 9.124 7.178 ( -3.751 -7.137 3.932) 8.970 7.279 ( -2.665 -14.068 -0.143) 14.319 7.578 ( 3.869 -7.873 2.928) 9.248 7.642 ( 1.077 -11.986 -3.167) 12.444 7.732 ( -1.251 -7.458 -0.305) 7.568 7.768 ( -2.945 -6.225 -3.878) 7.903 7.904 ( -0.248 -7.600 1.301) 7.714 8.257 ( 0.109 -8.040 -0.191) 8.043 8.337 ( 1.919 -6.377 -0.227) 6.663 8.422 ( 5.367 -4.811 2.731) 7.708 8.450 ( 5.217 -2.688 -2.384) 6.334 8.588 ( -2.352 -3.532 -0.210) 4.249 8.674 ( 1.832 -8.194 0.609) 8.418 8.773 ( 6.794 -4.003 -3.680) 8.702 8.903 ( 3.942 -0.384 -7.446) 8.434 9.010 ( 2.529 -3.115 3.392) 5.254 9.080 ( 4.187 -2.444 -3.391) 5.916 9.137 ( 0.266 -1.278 -3.747) 3.968 9.265 ( -1.923 -3.586 -1.136) 4.225 9.409 ( 2.115 -5.265 -4.888) 7.489 9.526 ( -2.780 6.391 8.573) 11.049 9.594 ( 1.447 5.869 2.614) 6.586 9.762 ( 0.285 6.573 5.481) 8.564 9.887 ( -7.987 4.371 -4.836) 10.310 9.991 ( 2.013 3.811 -7.669) 8.797 10.078 ( 0.267 2.243 1.880) 2.939 10.166 ( -5.947 -0.664 6.645) 8.942 10.381 ( 5.654 -1.502 3.310) 6.721 10.420 ( -1.292 1.225 1.987) 2.667 10.453 ( -4.421 7.831 0.881) 9.036 10.771 ( -1.656 3.648 -4.598) 6.099 10.793 ( -1.996 3.745 -0.345) 4.257 10.920 ( -1.726 1.876 -0.598) 2.619 11.001 ( 0.345 3.458 -1.950) 3.985 11.058 ( 1.095 6.598 4.790) 8.226 11.126 ( 1.757 4.092 -6.701) 8.045 11.249 ( 0.235 0.164 -1.758) 1.781 11.337 ( 0.039 1.493 7.508) 7.655 11.594 ( -1.002 5.149 0.903) 5.323 11.812 ( -4.182 -0.283 2.507) 4.884 11.863 ( 2.248 -2.268 -1.581) 3.563 11.938 ( -1.390 0.242 -5.375) 5.557 11.961 ( -2.438 2.890 6.464) 7.488 12.316 ( 0.808 1.187 -4.325) 4.557 12.380 ( 1.480 5.471 0.108) 5.669 12.724 ( -1.017 5.183 -0.794) 5.341 12.814 ( 2.763 4.291 0.096) 5.104 ======================= Grid point 155 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.953 ( -27.086 0.000 2.790) 27.229 1.011 ( -28.472 0.000 3.558) 28.694 1.601 ( -42.755 0.000 1.475) 42.780 2.342 ( -2.427 0.000 -5.426) 5.944 2.435 ( -11.469 0.000 -3.729) 12.059 2.539 ( 0.465 -0.000 3.465) 3.496 2.832 ( -0.249 0.000 6.790) 6.795 2.840 ( 12.435 -0.000 0.207) 12.437 3.036 ( 7.259 -0.000 2.804) 7.781 3.086 ( 6.655 -0.000 -3.146) 7.361 3.216 ( 1.811 -0.000 -4.240) 4.610 3.338 ( 7.468 -0.000 -1.899) 7.706 3.693 ( -9.429 0.000 5.388) 10.860 3.875 ( 0.427 -0.000 1.115) 1.194 3.964 ( 4.084 -0.000 -1.565) 4.374 4.023 ( -0.825 0.000 -4.295) 4.374 4.052 ( 1.680 -0.000 -0.305) 1.708 4.125 ( -0.114 0.000 0.557) 0.569 4.127 ( 0.834 -0.000 -0.269) 0.876 4.185 ( 0.020 -0.000 -2.937) 2.937 4.253 ( 2.423 -0.000 0.429) 2.461 4.318 ( -1.245 0.000 3.960) 4.151 6.377 ( -0.729 0.000 -1.323) 1.511 6.436 ( 1.704 -0.000 0.047) 1.705 6.881 ( -5.112 0.000 7.265) 8.883 6.922 ( -2.417 0.000 3.423) 4.191 6.987 ( 0.159 -0.000 0.425) 0.454 7.322 ( -0.535 0.000 -1.982) 2.053 7.429 ( 0.682 -0.000 2.668) 2.754 7.632 ( 1.295 -0.000 -0.792) 1.518 7.709 ( -9.351 0.000 -6.142) 11.187 7.779 ( 1.493 -0.000 8.104) 8.240 8.040 ( 1.288 -0.000 -2.109) 2.472 8.116 ( 3.766 -0.000 1.316) 3.989 8.371 ( 2.172 -0.000 4.404) 4.910 8.454 ( 2.882 -0.000 -0.405) 2.910 8.464 ( 7.170 -0.000 -2.689) 7.658 8.557 ( 0.694 -0.000 -9.663) 9.687 8.656 ( 6.179 -0.000 0.856) 6.238 8.821 ( 0.640 -0.000 1.660) 1.779 8.941 ( 7.874 -0.000 0.073) 7.874 9.021 ( 1.011 -0.000 -7.380) 7.449 9.103 ( 1.351 -0.000 5.004) 5.183 9.185 ( -0.845 0.000 -10.439) 10.473 9.279 ( -2.457 0.000 -3.487) 4.266 9.663 ( -2.938 0.000 5.927) 6.615 9.685 ( 1.624 -0.000 8.371) 8.527 9.892 ( 2.510 -0.000 7.052) 7.485 10.002 ( -5.735 0.000 4.555) 7.324 10.053 ( 0.564 -0.000 -1.409) 1.518 10.067 ( 7.142 -0.000 -7.978) 10.708 10.186 ( -2.907 0.000 1.287) 3.179 10.349 ( -0.410 0.000 0.403) 0.575 10.423 ( -2.690 0.000 -5.135) 5.797 10.638 ( -5.942 0.000 3.490) 6.891 10.872 ( -0.197 0.000 -0.037) 0.200 10.936 ( 1.647 -0.000 2.211) 2.757 10.953 ( -5.289 0.000 -2.125) 5.700 11.062 ( -2.304 0.000 -3.287) 4.014 11.170 ( -4.295 0.000 1.982) 4.730 11.236 ( 3.041 -0.000 -1.719) 3.493 11.284 ( 5.354 -0.000 -2.848) 6.065 11.375 ( 0.537 -0.000 3.774) 3.813 11.692 ( 1.061 -0.000 -1.735) 2.034 11.819 ( 1.600 -0.000 0.205) 1.613 11.828 ( -1.729 0.000 1.182) 2.094 11.930 ( -0.240 0.000 -5.654) 5.659 12.055 ( -6.016 0.000 10.171) 11.817 12.334 ( 0.627 -0.000 -5.355) 5.391 12.594 ( 4.965 -0.000 -2.967) 5.784 12.828 ( -0.467 0.000 0.883) 0.999 12.836 ( -1.459 0.000 -1.124) 1.842 ======================= Grid point 156 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.937 ( -21.987 -16.887 3.039) 27.890 0.946 ( -22.379 -15.565 6.060) 27.925 1.524 ( -33.892 -26.138 10.176) 43.993 2.296 ( -6.009 -1.218 -9.807) 11.566 2.354 ( -4.678 -3.703 -12.373) 13.737 2.576 ( 0.222 -0.425 7.363) 7.379 2.804 ( -0.986 3.027 9.075) 9.617 2.942 ( 8.777 0.875 1.347) 8.922 3.070 ( 4.675 4.803 -0.090) 6.703 3.112 ( 5.511 0.990 -0.093) 5.600 3.207 ( 2.473 -0.040 -4.449) 5.090 3.355 ( 5.806 4.215 -1.349) 7.300 3.593 ( -8.358 3.523 2.922) 9.529 3.844 ( -1.110 6.240 2.205) 6.710 3.914 ( 2.150 4.503 -1.941) 5.354 3.988 ( 2.826 0.416 -4.937) 5.704 4.037 ( 2.119 2.300 -2.470) 3.985 4.090 ( 0.724 2.293 -3.771) 4.472 4.191 ( -0.788 -3.130 3.319) 4.630 4.223 ( 0.556 -3.172 0.400) 3.245 4.263 ( -1.753 -1.075 3.179) 3.786 4.371 ( 1.079 -3.349 0.502) 3.554 6.349 ( -0.062 1.560 -1.273) 2.014 6.459 ( 0.840 -0.747 0.139) 1.132 6.914 ( -3.838 -4.639 6.230) 8.664 7.004 ( -2.461 -8.695 3.859) 9.826 7.056 ( -1.684 -6.845 0.865) 7.103 7.428 ( 2.052 -10.944 -2.639) 11.443 7.482 ( 0.208 -5.188 0.161) 5.195 7.610 ( -6.185 -0.702 -1.063) 6.315 7.662 ( -0.622 -1.916 -1.090) 2.290 7.866 ( 5.350 -2.211 7.167) 9.213 8.104 ( 0.737 -6.463 -1.543) 6.685 8.246 ( 4.586 -7.334 0.424) 8.660 8.396 ( -2.237 -0.837 0.963) 2.575 8.452 ( 2.789 0.107 -5.195) 5.898 8.497 ( -3.334 -1.769 -3.538) 5.173 8.593 ( 7.245 -4.722 -2.311) 8.951 8.742 ( 6.829 -3.288 -4.481) 8.805 8.864 ( 2.014 -3.174 -2.783) 4.677 9.008 ( 0.804 -1.457 2.659) 3.137 9.029 ( 1.845 -2.294 -3.617) 4.664 9.121 ( 1.616 -0.341 -2.585) 3.067 9.185 ( 0.187 -4.377 -0.959) 4.485 9.333 ( 5.953 -3.596 -0.441) 6.969 9.630 ( -3.286 2.426 3.711) 5.519 9.710 ( 1.994 3.163 7.648) 8.514 9.869 ( -1.662 3.037 0.405) 3.486 9.902 ( -6.787 5.920 -1.621) 9.151 10.058 ( 2.997 4.058 -5.011) 7.110 10.104 ( -6.778 3.213 -0.998) 7.567 10.114 ( -0.249 -3.303 6.454) 7.254 10.372 ( 2.724 -1.689 -1.518) 3.546 10.419 ( -0.137 -2.551 -0.232) 2.566 10.545 ( -6.493 5.985 6.623) 11.038 10.826 ( -4.694 4.551 -2.391) 6.962 10.850 ( 0.680 3.384 0.845) 3.554 10.950 ( 2.365 2.495 0.082) 3.439 11.037 ( 0.545 0.513 0.080) 0.753 11.139 ( -2.296 0.820 0.198) 2.446 11.194 ( 0.131 4.314 -4.956) 6.572 11.294 ( 3.568 2.805 -1.871) 4.909 11.384 ( 0.132 0.653 4.269) 4.321 11.668 ( 0.709 2.886 -1.510) 3.334 11.809 ( -0.634 0.926 2.776) 2.994 11.849 ( 1.840 -0.875 -0.639) 2.135 11.900 ( -2.514 -0.102 -4.560) 5.208 12.022 ( -4.375 2.690 9.310) 10.632 12.319 ( 1.150 0.369 -3.655) 3.850 12.492 ( -1.379 7.190 -2.645) 7.784 12.790 ( -0.989 2.914 -0.626) 3.140 12.877 ( 3.211 -0.826 -1.165) 3.514 ======================= Grid point 165 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.582 ( -23.739 0.000 16.628) 28.983 0.588 ( -26.944 0.000 11.877) 29.446 0.978 ( -39.630 0.000 26.996) 47.951 2.188 ( -7.347 0.000 -13.970) 15.784 2.212 ( -2.418 0.000 -14.496) 14.696 2.621 ( 1.900 -0.000 8.904) 9.105 2.878 ( -1.686 0.000 9.268) 9.420 3.010 ( 7.637 -0.000 -2.816) 8.140 3.133 ( 2.607 -0.000 0.746) 2.711 3.178 ( -0.280 0.000 -5.828) 5.835 3.200 ( 7.608 -0.000 -1.516) 7.758 3.442 ( 5.008 -0.000 -2.038) 5.407 3.556 ( -8.251 0.000 3.142) 8.829 3.905 ( -1.146 0.000 3.214) 3.412 3.949 ( -0.167 0.000 -2.925) 2.930 4.018 ( 3.905 -0.000 -3.035) 4.945 4.058 ( -0.013 0.000 -1.652) 1.652 4.119 ( -0.246 0.000 -1.390) 1.411 4.165 ( 2.064 -0.000 1.714) 2.683 4.196 ( 2.136 -0.000 -0.902) 2.319 4.294 ( -3.748 0.000 0.783) 3.829 4.294 ( 0.913 -0.000 1.720) 1.947 6.366 ( 0.345 -0.000 -0.924) 0.987 6.453 ( 1.285 -0.000 -1.877) 2.274 6.857 ( -4.337 0.000 6.223) 7.585 6.914 ( -2.941 0.000 4.916) 5.728 6.990 ( -1.076 0.000 -1.419) 1.781 7.309 ( 0.478 -0.000 -1.297) 1.382 7.413 ( -1.117 0.000 -3.689) 3.854 7.566 ( -3.261 0.000 -1.243) 3.490 7.669 ( 0.752 -0.000 4.246) 4.312 7.938 ( 7.394 -0.000 6.537) 9.870 8.049 ( 2.049 -0.000 0.717) 2.171 8.174 ( 1.867 -0.000 0.835) 2.045 8.333 ( -11.919 0.000 -12.369) 17.177 8.393 ( -2.509 0.000 4.323) 4.998 8.521 ( 6.349 -0.000 -9.192) 11.171 8.596 ( 12.057 -0.000 1.049) 12.102 8.745 ( 7.660 -0.000 -6.664) 10.153 8.832 ( 1.433 -0.000 -0.563) 1.540 8.977 ( -5.183 0.000 -1.960) 5.541 8.981 ( -5.043 0.000 -7.059) 8.675 9.093 ( 1.270 -0.000 2.811) 3.084 9.159 ( 0.252 -0.000 1.675) 1.694 9.361 ( 5.103 -0.000 3.794) 6.358 9.616 ( -2.613 0.000 -1.386) 2.957 9.788 ( -1.256 0.000 4.188) 4.373 9.853 ( -1.949 0.000 -1.773) 2.635 9.931 ( -4.708 0.000 3.470) 5.849 10.064 ( -5.085 0.000 -4.890) 7.054 10.107 ( 0.206 -0.000 4.165) 4.170 10.153 ( 3.393 -0.000 0.798) 3.485 10.357 ( 1.126 -0.000 -4.867) 4.995 10.392 ( 2.760 -0.000 3.556) 4.502 10.613 ( -0.048 0.000 9.563) 9.563 10.844 ( -5.805 0.000 -1.623) 6.027 10.893 ( 1.354 -0.000 -0.166) 1.364 11.034 ( -0.908 0.000 2.020) 2.214 11.036 ( 6.808 -0.000 2.600) 7.288 11.121 ( -0.815 0.000 -2.055) 2.211 11.204 ( -3.283 0.000 -4.364) 5.461 11.332 ( 3.587 -0.000 -5.193) 6.311 11.405 ( -1.707 0.000 4.084) 4.426 11.692 ( 1.507 -0.000 -4.793) 5.024 11.833 ( 0.666 -0.000 -1.029) 1.226 11.851 ( 0.854 -0.000 -1.180) 1.456 11.868 ( -2.027 0.000 3.346) 3.912 12.053 ( -4.376 0.000 10.584) 11.453 12.334 ( 3.898 -0.000 -0.047) 3.898 12.568 ( -3.251 0.000 -10.906) 11.380 12.809 ( -0.739 0.000 -0.399) 0.840 12.826 ( -0.466 0.000 0.519) 0.697 ======================= Grid point 166 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.072 ( 2.831 -0.000 26.646) 26.796 1.107 ( -1.339 0.000 27.611) 27.644 1.564 ( -1.732 0.000 -23.652) 23.715 1.620 ( 1.171 -0.000 -24.123) 24.151 1.796 ( -2.081 0.000 41.512) 41.564 2.509 ( 2.650 -0.000 -32.274) 32.383 2.913 ( -0.738 0.000 6.987) 7.026 3.007 ( 0.535 -0.000 -2.033) 2.102 3.131 ( -0.006 0.000 1.088) 1.088 3.140 ( -3.096 0.000 0.823) 3.203 3.301 ( 1.902 -0.000 2.791) 3.377 3.370 ( -0.457 0.000 -3.559) 3.588 3.713 ( 1.093 -0.000 7.939) 8.014 3.833 ( -1.245 0.000 -3.199) 3.433 3.928 ( -1.038 0.000 -1.540) 1.857 3.965 ( 0.666 -0.000 -3.956) 4.012 4.023 ( 3.147 -0.000 0.924) 3.280 4.056 ( -1.172 0.000 -2.276) 2.560 4.212 ( -3.990 0.000 0.197) 3.995 4.215 ( 2.166 -0.000 -0.187) 2.174 4.288 ( 1.861 -0.000 2.592) 3.191 4.319 ( -1.404 0.000 -0.487) 1.486 6.363 ( 0.200 -0.000 0.669) 0.699 6.395 ( 0.397 -0.000 -2.591) 2.622 6.959 ( -2.701 0.000 2.472) 3.662 6.963 ( 0.213 -0.000 1.172) 1.191 7.028 ( -2.789 0.000 9.457) 9.860 7.209 ( 0.066 -0.000 -8.883) 8.883 7.371 ( 0.300 -0.000 6.285) 6.292 7.535 ( 1.651 -0.000 -9.215) 9.362 7.676 ( 6.439 -0.000 5.830) 8.686 7.796 ( -8.424 0.000 -6.655) 10.736 8.183 ( 1.649 -0.000 1.524) 2.246 8.193 ( -1.613 0.000 0.135) 1.619 8.353 ( 1.946 -0.000 4.010) 4.457 8.436 ( -2.206 0.000 -0.751) 2.330 8.582 ( 6.925 -0.000 3.208) 7.632 8.646 ( 1.723 -0.000 -5.583) 5.843 8.779 ( 3.628 -0.000 -2.176) 4.231 8.784 ( -4.691 0.000 -1.648) 4.972 8.855 ( -3.822 0.000 1.622) 4.151 8.879 ( 5.868 -0.000 -0.799) 5.922 9.045 ( -11.809 0.000 0.981) 11.850 9.105 ( 13.025 -0.000 -5.939) 14.315 9.572 ( -5.389 0.000 0.222) 5.393 9.590 ( 4.129 -0.000 -1.769) 4.492 9.664 ( -2.222 0.000 8.853) 9.127 9.806 ( -0.258 0.000 -5.653) 5.659 10.042 ( 4.766 -0.000 1.194) 4.914 10.051 ( -5.616 0.000 1.028) 5.709 10.134 ( -4.099 0.000 6.964) 8.081 10.269 ( 4.603 -0.000 -5.697) 7.325 10.316 ( 4.152 -0.000 2.576) 4.886 10.354 ( -3.767 0.000 -1.312) 3.989 10.800 ( -3.713 0.000 4.577) 5.894 10.860 ( 0.640 -0.000 -1.799) 1.910 10.909 ( 3.334 -0.000 8.044) 8.707 11.011 ( -3.798 0.000 -2.860) 4.755 11.031 ( 2.358 -0.000 -1.232) 2.661 11.098 ( -3.681 0.000 -7.916) 8.730 11.174 ( 1.208 -0.000 3.554) 3.754 11.227 ( 3.720 -0.000 -2.077) 4.260 11.426 ( -7.392 0.000 3.563) 8.206 11.512 ( 5.824 -0.000 -5.746) 8.181 11.805 ( 0.708 -0.000 -0.933) 1.171 11.807 ( -0.436 0.000 -1.070) 1.156 12.093 ( -1.223 0.000 9.592) 9.670 12.257 ( -1.052 0.000 -7.440) 7.514 12.278 ( -3.968 0.000 8.883) 9.729 12.422 ( 6.770 -0.000 -6.317) 9.259 12.816 ( 0.924 -0.000 0.341) 0.985 12.820 ( -0.851 0.000 -0.098) 0.856 ======================= Grid point 167 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.314 ( 5.297 -9.378 23.668) 26.003 1.355 ( 3.680 -11.809 20.830) 24.225 1.549 ( 3.403 -8.257 -21.690) 23.457 1.625 ( 4.683 -8.729 -22.944) 24.991 2.130 ( 5.140 -14.703 33.949) 37.351 2.487 ( 5.600 -8.240 -29.380) 31.023 2.916 ( -2.139 1.358 5.321) 5.894 2.974 ( -0.329 2.235 -2.147) 3.116 3.087 ( -5.045 2.133 0.739) 5.527 3.123 ( -0.673 1.546 0.933) 1.927 3.251 ( -2.869 6.276 2.572) 7.364 3.311 ( 0.944 4.165 -3.075) 5.262 3.706 ( -0.589 4.320 6.089) 7.489 3.769 ( 1.813 4.901 -2.440) 5.767 3.869 ( -2.150 3.923 -2.865) 5.313 3.911 ( 2.413 5.667 -1.933) 6.456 3.994 ( -3.133 1.520 -2.093) 4.063 4.046 ( 3.919 -0.140 0.240) 3.929 4.220 ( -2.453 -1.363 0.632) 2.877 4.250 ( 0.904 -1.741 0.398) 2.002 4.330 ( -0.565 -2.869 2.493) 3.843 4.354 ( -0.145 -3.642 -1.195) 3.835 6.367 ( -1.037 0.177 -0.863) 1.361 6.385 ( 1.170 0.045 -0.250) 1.197 7.018 ( -1.770 -6.300 3.365) 7.359 7.048 ( 1.088 -6.600 2.269) 7.064 7.111 ( -2.081 -7.248 8.577) 11.420 7.240 ( 1.422 -7.155 -7.563) 10.508 7.481 ( -0.244 -7.928 3.956) 8.863 7.557 ( 0.998 -5.523 -7.330) 9.232 7.720 ( -5.987 -1.787 -4.891) 7.934 7.786 ( 8.566 -1.996 6.081) 10.693 8.233 ( -1.606 -6.120 2.502) 6.804 8.276 ( -0.942 -7.586 -2.081) 7.922 8.372 ( -0.831 0.239 3.302) 3.414 8.422 ( -0.996 -0.631 -2.690) 2.937 8.626 ( -6.208 -2.741 -6.728) 9.556 8.657 ( 2.696 -2.777 0.295) 3.881 8.759 ( -10.710 -0.496 2.399) 10.987 8.765 ( -3.596 -2.579 -2.162) 4.925 8.819 ( 3.089 0.975 -1.778) 3.695 8.954 ( 6.892 -3.808 -0.529) 7.891 9.060 ( -2.613 -5.618 -0.017) 6.196 9.234 ( 14.089 -2.051 -4.478) 14.925 9.543 ( -3.445 -0.792 0.860) 3.638 9.621 ( 4.802 0.271 -0.854) 4.885 9.679 ( -1.823 0.591 9.102) 9.301 9.780 ( 0.822 0.780 -4.931) 5.059 9.938 ( -9.380 5.161 1.581) 10.822 10.026 ( 1.780 4.596 0.831) 4.998 10.153 ( -3.808 -1.759 4.921) 6.466 10.274 ( 2.383 0.875 -3.254) 4.127 10.323 ( -0.899 1.337 -1.347) 2.100 10.354 ( 5.280 0.271 0.090) 5.288 10.734 ( -4.015 5.148 6.816) 9.438 10.830 ( 0.625 2.911 -2.468) 3.868 10.932 ( -0.302 2.223 1.208) 2.548 10.954 ( 0.519 2.759 0.460) 2.845 11.010 ( -0.878 2.588 -0.079) 2.734 11.040 ( -2.087 0.838 -3.553) 4.205 11.166 ( 2.028 3.754 0.833) 4.347 11.229 ( 4.355 1.914 -3.686) 6.018 11.380 ( -4.637 0.120 4.819) 6.688 11.534 ( 7.038 1.364 -4.093) 8.255 11.780 ( -0.993 1.492 0.465) 1.852 11.799 ( 0.090 0.581 -1.559) 1.666 12.097 ( -2.822 2.697 9.675) 10.433 12.212 ( 1.507 1.561 -6.019) 6.398 12.262 ( -2.202 1.275 5.041) 5.647 12.379 ( 3.056 5.090 -5.903) 8.373 12.812 ( 0.902 1.696 1.091) 2.209 12.816 ( -0.538 0.567 -1.905) 2.059 ======================= Grid point 168 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.654 ( 5.312 -12.567 14.139) 19.648 1.694 ( 4.486 -15.358 -4.801) 16.705 1.751 ( 7.378 -12.887 2.961) 15.142 1.803 ( 6.688 -13.440 -16.868) 22.581 2.601 ( 6.156 -15.464 15.523) 22.759 2.642 ( 6.669 -11.774 -13.278) 18.958 2.877 ( -2.365 1.386 0.554) 2.797 2.894 ( -1.931 6.410 2.070) 7.007 3.011 ( -5.202 0.079 -0.746) 5.256 3.066 ( -2.082 3.342 0.590) 3.982 3.087 ( -4.279 7.744 3.379) 9.471 3.213 ( 2.339 6.642 -0.727) 7.079 3.611 ( -0.463 6.112 0.503) 6.150 3.673 ( 2.471 7.342 0.756) 7.783 3.750 ( -0.062 4.536 -6.521) 7.944 3.794 ( 0.664 7.666 0.614) 7.719 3.959 ( -3.091 -1.265 -0.431) 3.367 4.102 ( 3.282 -2.319 -0.986) 4.138 4.198 ( -3.534 1.278 2.020) 4.267 4.291 ( 0.775 -1.336 0.813) 1.746 4.387 ( -0.943 -2.566 1.775) 3.259 4.407 ( 0.093 -2.205 -1.105) 2.468 6.335 ( -1.871 0.252 -1.934) 2.703 6.417 ( 2.388 -0.544 2.240) 3.319 7.148 ( -1.955 -6.166 6.955) 9.498 7.193 ( 1.384 -6.730 1.876) 7.122 7.344 ( 0.572 -13.932 4.560) 14.671 7.420 ( 3.784 -11.838 -7.558) 14.546 7.598 ( -7.327 -6.982 2.416) 10.405 7.716 ( 0.389 -10.613 -5.475) 11.948 7.776 ( -1.089 -11.780 -2.367) 12.065 7.947 ( 9.490 -4.562 5.744) 11.994 8.334 ( -0.935 1.339 2.288) 2.811 8.347 ( -4.381 -2.243 -2.922) 5.723 8.407 ( -0.302 -7.107 -3.546) 7.948 8.455 ( -2.956 -9.051 -0.932) 9.567 8.616 ( -7.599 -6.435 -3.702) 10.623 8.707 ( -4.843 -2.152 2.984) 6.082 8.751 ( -0.131 -4.337 -0.714) 4.397 8.802 ( -3.214 -5.447 -2.338) 6.743 8.855 ( 4.245 -1.246 0.971) 4.529 9.102 ( 6.628 -5.247 -0.445) 8.465 9.140 ( -3.385 -4.448 -0.229) 5.594 9.333 ( 9.373 0.382 -4.472) 10.392 9.540 ( -3.287 -0.645 0.602) 3.403 9.613 ( 1.443 4.567 1.203) 4.938 9.697 ( 0.292 -0.104 2.273) 2.294 9.718 ( -2.290 7.463 1.170) 7.893 9.785 ( -4.314 1.297 0.536) 4.537 9.927 ( 3.099 6.956 -1.820) 7.829 10.150 ( -5.029 0.394 5.388) 7.381 10.202 ( -1.730 6.491 -5.290) 8.550 10.303 ( 1.343 -0.018 3.827) 4.056 10.401 ( 5.058 0.072 0.075) 5.059 10.634 ( -1.519 4.898 4.225) 6.644 10.738 ( 0.962 6.141 -4.892) 7.910 10.832 ( -1.779 5.917 -1.884) 6.459 10.889 ( -3.950 7.578 -0.315) 8.552 10.951 ( 3.810 1.560 1.491) 4.378 11.014 ( -1.167 -1.584 -1.283) 2.349 11.094 ( 2.388 4.818 -0.788) 5.435 11.219 ( 3.682 2.256 -0.041) 4.319 11.384 ( -2.064 -0.599 4.844) 5.299 11.552 ( 5.619 0.545 -2.933) 6.362 11.757 ( -0.502 0.425 2.310) 2.402 11.788 ( 0.156 -0.209 -1.459) 1.482 12.038 ( -3.947 3.671 7.789) 9.472 12.170 ( 1.900 2.001 -6.619) 7.171 12.229 ( -1.454 3.336 -0.560) 3.682 12.287 ( 2.169 3.661 -0.971) 4.365 12.759 ( -0.689 3.842 -2.384) 4.574 12.767 ( 0.429 4.397 1.831) 4.783 ======================= Grid point 169 (74/115) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.969 ( 5.087 -13.786 -3.339) 15.069 1.988 ( 6.219 -14.768 -9.930) 18.852 2.064 ( 5.518 -12.844 -1.891) 14.107 2.078 ( 5.017 -12.400 7.563) 15.366 2.717 ( -2.960 7.859 1.721) 8.572 2.728 ( -1.803 4.127 0.771) 4.570 2.821 ( -1.147 4.087 1.680) 4.565 2.899 ( 2.020 -0.799 -1.833) 2.842 2.936 ( -0.548 -0.121 2.023) 2.100 3.021 ( -1.967 -0.076 3.448) 3.971 3.048 ( 3.245 0.413 -1.387) 3.553 3.164 ( -3.300 -5.665 4.476) 7.938 3.504 ( 0.815 4.867 -3.337) 5.957 3.547 ( -0.470 6.442 -0.319) 6.467 3.632 ( 2.109 6.978 -5.726) 9.270 3.687 ( 2.541 4.122 -0.303) 4.852 3.997 ( -1.043 -4.163 3.232) 5.372 4.126 ( -5.845 -0.174 -2.002) 6.180 4.180 ( 4.295 0.084 2.916) 5.192 4.319 ( -0.177 -0.889 1.873) 2.081 4.417 ( -0.804 -0.772 0.163) 1.126 4.422 ( -0.016 -0.059 -0.797) 0.799 6.326 ( -0.746 -1.288 -0.958) 1.770 6.448 ( 1.728 0.297 2.231) 2.837 7.261 ( -2.258 -4.604 6.406) 8.206 7.320 ( 2.423 -3.687 3.758) 5.796 7.525 ( -3.067 -3.158 -5.202) 6.814 7.643 ( 1.544 -12.743 4.026) 13.453 7.757 ( -1.482 -12.667 0.950) 12.789 7.914 ( 0.373 -12.381 -7.209) 14.332 8.030 ( -0.704 -16.086 -3.891) 16.565 8.173 ( 7.583 -8.836 5.866) 13.038 8.266 ( -0.932 3.204 -1.913) 3.846 8.288 ( -1.542 1.695 -3.692) 4.345 8.570 ( -3.300 -10.636 0.186) 11.138 8.627 ( -1.608 -10.101 0.669) 10.250 8.707 ( -1.855 -7.676 -3.488) 8.633 8.725 ( -3.478 -2.334 3.043) 5.178 8.837 ( 0.469 -4.561 -0.378) 4.601 8.881 ( -1.819 -5.159 -0.952) 5.552 8.946 ( 1.457 -4.898 2.554) 5.713 9.131 ( -3.667 2.042 -1.105) 4.341 9.207 ( 2.343 -0.709 -1.346) 2.793 9.320 ( 3.389 7.952 -0.848) 8.686 9.462 ( -1.097 4.712 -2.913) 5.647 9.485 ( -3.007 5.995 -2.120) 7.034 9.608 ( 2.834 3.483 2.708) 5.244 9.683 ( -5.260 -1.145 -4.029) 6.724 9.754 ( 0.906 2.573 3.339) 4.311 9.865 ( 8.575 4.919 0.899) 9.927 10.005 ( -4.539 7.173 -6.127) 10.469 10.116 ( -6.171 0.945 5.377) 8.239 10.361 ( 3.368 0.085 6.098) 6.967 10.403 ( 2.035 3.446 2.146) 4.541 10.528 ( -0.620 6.311 -5.415) 8.339 10.616 ( -4.522 4.015 -1.716) 6.286 10.675 ( 3.779 7.419 1.966) 8.555 10.765 ( 0.567 3.132 -0.071) 3.183 10.961 ( 1.028 -0.067 -0.596) 1.190 11.023 ( -1.066 0.560 -2.973) 3.207 11.079 ( 5.887 0.338 2.503) 6.406 11.186 ( 0.413 2.625 -1.074) 2.866 11.400 ( -2.471 -1.094 4.893) 5.590 11.579 ( 1.054 -0.607 0.253) 1.242 11.784 ( 1.995 -1.376 2.758) 3.671 11.794 ( -0.474 -0.773 -0.468) 1.020 11.984 ( -1.630 2.267 4.905) 5.644 12.103 ( -3.142 1.324 -6.328) 7.188 12.138 ( 3.310 4.815 -4.883) 7.614 12.257 ( 0.654 2.211 1.959) 3.026 12.660 ( -0.616 4.698 -1.731) 5.044 12.683 ( 0.195 5.190 1.650) 5.450 ======================= Grid point 170 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.177 ( 1.006 -6.001 -7.642) 9.769 2.235 ( 3.395 -8.695 -3.682) 10.035 2.315 ( 4.455 -6.982 1.014) 8.344 2.333 ( 2.878 -9.110 2.369) 9.843 2.540 ( -2.687 7.963 2.236) 8.696 2.614 ( -1.643 3.910 -1.041) 4.367 2.682 ( -3.014 4.462 3.744) 6.558 2.874 ( 2.325 3.838 -0.158) 4.490 2.931 ( 0.738 2.470 1.861) 3.179 3.012 ( 1.084 -0.928 0.957) 1.719 3.132 ( -0.824 -5.118 4.867) 7.110 3.288 ( -6.704 -7.014 1.543) 9.824 3.383 ( -3.053 5.799 1.226) 6.667 3.447 ( 4.560 5.018 -8.463) 10.845 3.537 ( 2.117 2.560 -3.892) 5.117 3.656 ( 2.479 1.509 -0.851) 3.024 4.066 ( -1.524 2.569 2.155) 3.683 4.095 ( -0.659 -4.511 1.816) 4.907 4.236 ( 1.897 -2.420 1.496) 3.419 4.341 ( 0.102 -0.635 1.919) 2.024 4.392 ( -0.399 1.769 -1.694) 2.481 4.422 ( -0.471 0.041 -0.231) 0.526 6.354 ( 0.046 -1.613 -0.080) 1.616 6.452 ( 0.699 0.868 1.366) 1.763 7.325 ( -3.059 -1.820 5.146) 6.258 7.400 ( 1.640 -0.743 5.899) 6.167 7.506 ( -5.170 -1.338 -1.775) 5.628 7.857 ( 1.740 -6.011 3.877) 7.361 7.942 ( 0.638 -7.219 -2.886) 7.800 8.071 ( 2.423 -3.693 -6.039) 7.482 8.142 ( 5.761 7.465 -7.646) 12.140 8.181 ( -2.910 -3.901 -3.088) 5.764 8.405 ( 0.829 -14.828 -0.261) 14.854 8.473 ( 2.595 -12.622 3.064) 13.245 8.692 ( -3.406 -1.165 3.110) 4.757 8.724 ( -2.073 2.111 0.861) 3.082 8.748 ( 0.472 -4.169 2.912) 5.107 8.802 ( 0.223 -1.252 -0.853) 1.531 8.875 ( -3.012 1.862 -1.788) 3.967 8.933 ( 2.212 -1.196 1.587) 2.974 8.992 ( -1.644 0.894 -2.854) 3.413 9.068 ( 1.223 4.073 0.098) 4.254 9.164 ( -2.818 -1.505 2.396) 3.994 9.224 ( 1.926 0.112 -1.598) 2.505 9.273 ( -3.752 4.609 -1.178) 6.059 9.484 ( -3.596 -2.963 -7.278) 8.642 9.561 ( 4.646 9.071 1.184) 10.260 9.654 ( -0.222 -0.748 -2.994) 3.094 9.733 ( 2.857 2.531 2.081) 4.347 9.837 ( 3.592 0.820 2.080) 4.231 9.913 ( -1.334 0.009 0.741) 1.526 10.064 ( -5.958 -1.248 0.500) 6.108 10.239 ( -4.293 9.532 -1.996) 10.643 10.358 ( 1.690 2.470 2.269) 3.756 10.485 ( -2.217 -1.233 -2.405) 3.496 10.552 ( 2.375 1.481 -2.064) 3.478 10.658 ( 4.938 -0.436 6.238) 7.967 10.777 ( 3.436 -0.348 4.212) 5.447 10.955 ( -4.192 0.007 -0.703) 4.250 10.998 ( 3.916 0.982 -5.068) 6.480 11.056 ( -1.942 4.067 -0.393) 4.524 11.191 ( 2.716 -1.481 -0.560) 3.144 11.428 ( -2.467 -1.983 4.046) 5.137 11.579 ( -2.837 1.109 5.267) 6.085 11.799 ( -1.001 -0.863 -0.256) 1.346 11.854 ( 2.035 -2.608 2.516) 4.156 11.960 ( -0.239 1.319 1.519) 2.026 12.032 ( 0.718 3.543 -5.591) 6.658 12.081 ( 1.000 -0.081 -4.521) 4.631 12.233 ( 0.120 0.829 0.645) 1.058 12.580 ( -0.384 2.471 -0.725) 2.603 12.617 ( 0.449 2.139 0.861) 2.349 ======================= Grid point 171 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.073 ( -4.079 12.006 2.644) 12.952 2.162 ( -4.899 14.751 2.527) 15.748 2.357 ( -0.979 2.194 -2.399) 3.395 2.405 ( -2.045 3.510 -4.719) 6.227 2.537 ( 2.736 -6.532 2.191) 7.413 2.639 ( 1.853 -7.043 -3.235) 7.969 2.725 ( 2.852 -5.474 -0.029) 6.173 2.882 ( 1.897 -2.262 -1.346) 3.244 2.920 ( -0.012 -2.168 2.098) 3.017 3.032 ( -0.334 0.770 -0.525) 0.990 3.194 ( -0.474 2.685 5.435) 6.081 3.265 ( -2.391 11.171 -1.082) 11.475 3.305 ( -3.184 -4.762 3.357) 6.640 3.409 ( -3.035 -5.822 -0.572) 6.590 3.534 ( 3.159 -1.700 -3.461) 4.985 3.665 ( 0.329 -1.982 -1.928) 2.784 4.030 ( 2.968 2.957 3.917) 5.736 4.154 ( -0.460 -2.215 -2.505) 3.376 4.283 ( -0.765 0.676 -2.131) 2.363 4.344 ( 0.936 -0.640 1.294) 1.720 4.370 ( -0.093 0.216 0.765) 0.800 4.415 ( -0.217 0.124 0.058) 0.256 6.355 ( -0.751 1.290 -0.051) 1.493 6.462 ( 0.718 -0.864 0.401) 1.193 7.315 ( -6.248 0.859 5.271) 8.219 7.425 ( 1.334 2.314 6.639) 7.156 7.479 ( -2.904 0.303 -1.346) 3.215 7.922 ( 1.156 1.794 0.379) 2.167 7.980 ( 6.439 7.550 -7.968) 12.726 7.997 ( 0.980 6.680 -1.173) 6.852 8.039 ( -0.996 1.649 1.174) 2.256 8.258 ( 1.531 0.352 -7.332) 7.498 8.397 ( 0.288 9.817 -1.527) 9.939 8.534 ( -1.161 12.159 -2.049) 12.385 8.664 ( 2.967 -2.676 2.138) 4.531 8.697 ( -0.656 3.629 6.384) 7.372 8.767 ( -0.742 4.845 1.338) 5.081 8.797 ( 2.341 4.524 0.245) 5.100 8.882 ( 1.344 -1.911 -3.431) 4.151 8.930 ( 1.835 -1.809 2.377) 3.506 8.993 ( -3.276 -1.770 -2.795) 4.656 9.065 ( -3.576 -8.678 0.017) 9.386 9.161 ( 2.314 -1.367 1.660) 3.159 9.236 ( 1.962 3.618 -1.941) 4.550 9.308 ( -0.392 -5.207 -2.064) 5.615 9.391 ( 1.304 5.941 1.327) 6.225 9.523 ( 1.928 -3.667 2.158) 4.672 9.651 ( -3.984 -1.187 -0.885) 4.250 9.740 ( -2.221 -2.059 0.146) 3.032 9.882 ( -0.735 1.164 -3.576) 3.832 9.930 ( 0.156 -1.641 0.943) 1.899 10.054 ( 0.500 -2.957 1.079) 3.187 10.201 ( -0.025 -8.991 2.002) 9.211 10.365 ( 0.214 -1.540 1.928) 2.476 10.502 ( 3.411 3.234 -3.699) 5.982 10.528 ( -1.425 -4.592 -0.974) 4.906 10.720 ( -3.196 -0.309 1.612) 3.593 10.862 ( 2.450 -2.293 6.328) 7.163 10.875 ( -5.676 0.874 -4.169) 7.097 10.970 ( 0.174 1.276 -2.495) 2.808 11.034 ( 4.381 -0.568 1.660) 4.719 11.212 ( 1.218 0.716 -2.310) 2.707 11.458 ( -1.376 -1.701 1.170) 2.481 11.548 ( -3.515 2.015 7.760) 8.754 11.809 ( -1.528 -1.292 -0.663) 2.108 11.923 ( 1.792 -1.009 2.866) 3.528 11.930 ( -1.243 2.338 -2.536) 3.666 11.956 ( 0.491 0.986 0.988) 1.479 12.101 ( 1.097 -2.709 -5.930) 6.611 12.249 ( 1.196 -1.919 -0.723) 2.374 12.568 ( -0.082 -1.575 0.435) 1.636 12.630 ( 0.759 -2.788 -0.409) 2.918 ======================= Grid point 172 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.770 ( -6.021 18.334 9.263) 21.405 1.803 ( -8.000 18.321 7.940) 21.511 2.219 ( -1.696 7.384 -8.972) 11.743 2.237 ( -4.396 7.006 -9.654) 12.712 2.694 ( 0.511 0.430 2.390) 2.482 2.768 ( 1.742 -1.907 2.590) 3.658 2.809 ( -0.027 -5.627 -2.036) 5.984 2.848 ( -3.512 10.666 3.044) 11.634 2.994 ( 4.994 -3.512 -1.229) 6.228 3.012 ( -0.432 -2.131 0.885) 2.348 3.050 ( -4.960 1.009 1.125) 5.186 3.179 ( 1.398 -0.919 2.263) 2.814 3.441 ( -1.486 -9.112 1.173) 9.307 3.511 ( -2.670 -5.331 3.856) 7.101 3.623 ( 2.982 -6.804 -4.722) 8.802 3.730 ( 1.959 -5.420 -3.788) 6.896 4.033 ( 3.474 1.947 3.291) 5.166 4.112 ( 0.726 4.885 -5.062) 7.072 4.246 ( -2.761 -1.298 -2.223) 3.775 4.347 ( -0.216 1.806 -0.877) 2.019 4.383 ( 0.454 -0.203 2.645) 2.692 4.417 ( 0.421 0.169 0.528) 0.696 6.320 ( -0.126 1.314 -0.173) 1.332 6.477 ( -0.637 -0.317 -0.569) 0.911 7.249 ( -6.048 3.023 5.749) 8.875 7.369 ( -3.183 5.727 4.920) 8.194 7.423 ( -0.328 4.796 0.005) 4.807 7.759 ( 2.896 12.983 -8.447) 15.757 7.818 ( 1.756 11.749 2.328) 12.105 7.861 ( 6.085 9.520 -7.355) 13.481 7.939 ( -1.310 13.238 4.587) 14.071 8.115 ( -0.161 2.396 6.487) 6.917 8.284 ( -5.327 8.727 -4.723) 11.262 8.396 ( 4.196 -1.209 -7.438) 8.625 8.577 ( 3.077 10.681 -0.500) 11.126 8.624 ( -0.755 6.296 2.594) 6.851 8.661 ( 2.295 7.247 -2.781) 8.095 8.718 ( 4.454 6.008 4.370) 8.662 8.810 ( -0.826 4.534 0.627) 4.651 8.911 ( 0.034 2.901 -1.885) 3.460 9.025 ( -2.680 1.423 -3.954) 4.984 9.126 ( 3.904 1.379 -1.917) 4.563 9.181 ( 2.852 0.390 2.287) 3.676 9.327 ( -4.157 -3.858 -2.468) 6.185 9.381 ( 4.359 -5.543 4.837) 8.551 9.470 ( 2.676 -11.068 0.251) 11.389 9.562 ( 4.063 2.538 5.898) 7.599 9.663 ( -6.090 -3.858 -3.067) 7.835 9.806 ( -1.122 -5.166 1.121) 5.404 9.865 ( 0.449 -3.573 3.841) 5.265 9.917 ( -5.572 -1.379 -2.243) 6.162 10.203 ( 1.791 -6.457 -2.383) 7.112 10.395 ( -0.861 -4.654 3.197) 5.712 10.403 ( -1.742 -3.898 2.074) 4.747 10.485 ( 2.901 0.453 -1.299) 3.210 10.598 ( 2.758 -4.526 -1.011) 5.396 10.714 ( -3.743 -4.379 0.425) 5.776 10.795 ( -5.235 -1.595 -4.703) 7.216 10.929 ( -4.879 -3.168 2.407) 6.295 10.990 ( 8.104 0.002 -0.756) 8.139 11.111 ( 0.670 -2.145 2.806) 3.595 11.180 ( -0.037 0.264 -2.879) 2.891 11.476 ( 0.139 -1.088 -2.246) 2.500 11.514 ( -4.271 1.321 5.753) 7.286 11.803 ( -2.084 -0.125 -1.462) 2.549 11.855 ( 0.416 2.581 -3.757) 4.577 11.956 ( 1.943 0.074 5.988) 6.295 12.013 ( -2.693 -4.579 6.273) 8.220 12.140 ( 1.986 -3.157 -7.379) 8.268 12.302 ( 1.088 -2.820 -1.985) 3.616 12.632 ( 0.050 -4.481 1.127) 4.621 12.715 ( 0.930 -5.387 -1.539) 5.679 ======================= Grid point 173 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.388 ( -7.820 19.833 14.571) 25.822 1.459 ( -7.645 17.564 16.449) 25.249 1.999 ( -4.068 7.635 -17.097) 19.162 2.012 ( -2.375 8.123 -14.459) 16.754 2.290 ( -12.157 26.338 18.018) 34.149 2.749 ( -1.692 1.967 4.253) 4.982 2.909 ( 3.688 -1.442 -4.845) 6.257 2.932 ( 0.114 -4.596 -0.286) 4.607 3.007 ( 2.712 -2.573 0.849) 3.834 3.063 ( 0.293 -2.981 1.460) 3.332 3.151 ( 5.191 -5.325 -4.238) 8.559 3.234 ( -2.393 -4.888 -2.071) 5.823 3.567 ( -2.806 -4.165 6.608) 8.300 3.630 ( -0.760 -9.073 -1.491) 9.226 3.764 ( 2.059 -7.851 -4.352) 9.209 3.852 ( 2.627 -6.545 -4.513) 8.373 3.985 ( 0.887 3.553 -3.348) 4.962 4.059 ( 1.329 1.300 2.706) 3.283 4.244 ( -0.865 -0.461 -1.404) 1.712 4.298 ( -0.784 2.538 -0.096) 2.658 4.371 ( -0.659 2.495 2.701) 3.735 4.409 ( 0.893 1.521 -0.691) 1.894 6.315 ( 1.210 -0.340 0.191) 1.272 6.456 ( -1.776 0.790 -1.682) 2.570 7.149 ( -5.101 5.407 6.673) 9.990 7.215 ( -2.689 8.958 0.127) 9.354 7.273 ( -2.407 10.278 5.164) 11.751 7.493 ( 1.545 12.412 -8.665) 15.216 7.635 ( 0.723 10.923 0.618) 10.964 7.690 ( 5.198 8.737 -2.273) 10.417 7.728 ( 1.550 9.633 0.098) 9.758 8.054 ( -6.929 4.570 -3.383) 8.963 8.186 ( -0.231 -1.241 6.440) 6.563 8.332 ( 3.721 8.995 2.288) 10.000 8.463 ( 3.290 7.913 -1.326) 8.672 8.494 ( 0.649 2.093 -3.784) 4.372 8.571 ( 4.441 5.880 -2.155) 7.678 8.659 ( 3.889 4.279 2.744) 6.400 8.751 ( 4.956 3.986 0.628) 6.391 8.844 ( 3.185 3.560 -4.976) 6.898 8.938 ( -3.759 1.643 -5.393) 6.776 9.069 ( -4.573 4.297 1.609) 6.478 9.204 ( 4.747 3.179 -4.193) 7.087 9.249 ( -2.673 3.643 2.229) 5.038 9.529 ( 0.597 -1.734 4.240) 4.619 9.599 ( 4.112 0.442 4.506) 6.117 9.640 ( -1.894 -4.316 -1.558) 4.964 9.739 ( -1.030 -8.327 0.364) 8.398 9.849 ( 1.952 -2.943 -1.788) 3.958 9.914 ( -6.751 -6.671 -0.882) 9.532 10.058 ( 2.796 -7.674 9.516) 12.541 10.251 ( -1.097 -0.464 -4.743) 4.890 10.312 ( -1.938 4.892 1.677) 5.523 10.456 ( -1.460 0.456 -4.207) 4.476 10.577 ( -1.330 -7.143 7.360) 10.343 10.739 ( 2.304 -5.288 1.357) 5.925 10.775 ( -0.561 -3.473 -0.695) 3.586 10.871 ( 2.905 -7.972 0.721) 8.516 10.970 ( -3.279 -5.016 -1.301) 6.132 11.058 ( 4.498 -0.148 -3.219) 5.533 11.093 ( -0.955 -0.646 -1.016) 1.536 11.222 ( -1.848 -2.866 0.297) 3.422 11.469 ( -3.647 0.942 4.294) 5.712 11.492 ( -1.311 -2.099 -5.588) 6.111 11.779 ( -1.597 -0.197 -1.244) 2.034 11.816 ( 0.785 0.627 -2.994) 3.158 12.007 ( -0.407 -1.085 8.644) 8.722 12.119 ( -1.624 -5.250 7.840) 9.574 12.194 ( 3.252 -3.704 -6.793) 8.393 12.339 ( -0.219 -1.845 -3.234) 3.730 12.724 ( 0.148 -4.257 1.306) 4.455 12.808 ( 0.798 -4.124 -2.448) 4.862 ======================= Grid point 174 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.093 ( -4.458 13.103 23.179) 26.997 1.179 ( -6.123 14.195 23.406) 28.051 1.749 ( -4.608 5.811 -21.044) 22.312 1.782 ( -1.195 6.952 -18.025) 19.356 1.863 ( -9.530 17.962 31.161) 37.208 2.667 ( -0.007 4.123 -18.610) 19.061 2.887 ( 0.616 0.604 2.625) 2.763 2.989 ( -0.029 -1.841 -0.342) 1.873 3.099 ( 1.642 -2.952 -0.187) 3.383 3.139 ( 0.481 -2.037 -0.696) 2.206 3.231 ( 1.956 -2.834 2.786) 4.429 3.330 ( 0.702 -5.627 -3.698) 6.770 3.645 ( -0.215 -2.558 7.803) 8.215 3.778 ( -1.146 -7.623 -1.581) 7.869 3.900 ( 1.240 -5.998 -3.821) 7.219 3.932 ( -0.664 -2.860 -3.587) 4.636 3.974 ( 4.191 -0.814 -0.324) 4.281 4.056 ( -2.091 -0.885 -0.803) 2.408 4.230 ( 1.466 2.017 -0.500) 2.543 4.252 ( -1.566 0.852 0.518) 1.856 4.310 ( -0.689 4.206 2.907) 5.159 4.366 ( 0.221 3.016 -1.049) 3.201 6.345 ( 1.442 -1.014 0.476) 1.826 6.415 ( -1.023 0.965 -2.381) 2.766 7.029 ( -2.807 5.988 3.302) 7.392 7.039 ( -1.945 6.773 2.517) 7.483 7.093 ( -3.844 7.572 6.447) 10.661 7.291 ( 0.896 5.891 -8.536) 10.410 7.443 ( 1.234 9.483 2.120) 9.795 7.596 ( 0.871 4.241 -4.482) 6.232 7.637 ( 4.166 2.713 1.868) 5.310 7.908 ( -9.450 1.136 -6.222) 11.372 8.188 ( 2.118 4.441 4.523) 6.683 8.282 ( 3.477 3.997 1.397) 5.478 8.326 ( 1.360 4.640 2.750) 5.563 8.466 ( -1.983 0.680 -1.247) 2.439 8.529 ( 7.924 3.375 2.847) 9.071 8.649 ( 6.080 1.896 -3.474) 7.254 8.748 ( 6.897 1.924 -0.170) 7.162 8.815 ( 5.827 1.599 -3.536) 7.001 8.862 ( -4.024 0.746 -3.453) 5.354 8.939 ( -6.215 4.223 0.816) 7.558 9.105 ( 7.777 6.533 -5.861) 11.727 9.176 ( -11.957 1.305 2.235) 12.234 9.561 ( 2.180 -0.459 0.570) 2.299 9.615 ( -1.548 1.323 2.906) 3.549 9.648 ( -3.007 -1.091 2.935) 4.342 9.826 ( -3.391 -2.847 -4.215) 6.113 9.949 ( 6.516 -3.665 -1.014) 7.545 10.016 ( -2.056 -5.775 3.144) 6.889 10.171 ( -4.166 2.464 4.555) 6.647 10.235 ( 1.775 -3.500 5.531) 6.782 10.272 ( 4.795 1.434 -4.627) 6.816 10.404 ( -4.165 0.461 -3.067) 5.193 10.732 ( -1.589 -6.643 6.842) 9.668 10.833 ( 1.461 -3.094 -2.603) 4.300 10.836 ( 1.884 -1.632 6.632) 7.085 11.002 ( -0.744 -3.767 -4.083) 5.605 11.027 ( -1.368 -1.372 -1.713) 2.586 11.075 ( 2.556 -4.836 -1.498) 5.671 11.149 ( 2.661 -1.044 1.679) 3.315 11.219 ( -3.047 -0.552 -3.162) 4.425 11.451 ( -6.810 -1.523 4.403) 8.252 11.496 ( 2.316 -0.898 -7.310) 7.720 11.785 ( -0.002 -1.415 -0.637) 1.552 11.811 ( 0.569 -0.290 -2.099) 2.194 12.055 ( -1.658 -0.947 9.260) 9.454 12.225 ( -2.263 -3.926 7.248) 8.548 12.272 ( 1.151 -3.835 -5.682) 6.951 12.353 ( 2.906 -1.568 -3.187) 4.589 12.790 ( 0.451 -1.994 0.923) 2.243 12.841 ( -0.081 -0.017 -2.137) 2.139 ======================= Grid point 176 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.361 ( 8.477 -0.000 2.940) 8.972 1.405 ( 10.789 -0.000 18.258) 21.208 1.434 ( 6.636 -0.000 -2.408) 7.060 1.490 ( 7.765 -0.000 -19.193) 20.704 2.207 ( 10.338 -0.000 33.311) 34.878 2.341 ( 12.379 -0.000 -33.723) 35.923 2.936 ( -2.618 0.000 5.571) 6.155 2.949 ( -4.406 0.000 -5.308) 6.898 3.096 ( -3.109 0.000 3.064) 4.365 3.115 ( -4.566 0.000 1.770) 4.897 3.310 ( -3.561 0.000 3.059) 4.694 3.319 ( -0.930 0.000 -4.824) 4.913 3.764 ( -3.335 0.000 7.093) 7.838 3.788 ( 1.024 -0.000 -7.759) 7.826 3.921 ( 0.455 -0.000 3.436) 3.466 3.954 ( 1.244 -0.000 -2.366) 2.673 4.035 ( 1.708 -0.000 -3.197) 3.624 4.077 ( 2.188 -0.000 0.363) 2.218 4.161 ( -3.023 0.000 1.045) 3.199 4.238 ( -1.392 0.000 0.357) 1.437 4.294 ( 1.285 -0.000 -0.665) 1.447 4.316 ( -0.797 0.000 1.596) 1.784 6.373 ( -0.634 0.000 -2.071) 2.166 6.376 ( 0.696 -0.000 0.970) 1.194 6.952 ( -0.612 0.000 2.209) 2.292 7.005 ( 3.076 -0.000 2.640) 4.054 7.075 ( -2.494 0.000 11.765) 12.026 7.148 ( 0.873 -0.000 -7.193) 7.246 7.430 ( 0.236 -0.000 6.519) 6.523 7.482 ( 1.832 -0.000 -10.575) 10.733 7.641 ( -4.033 0.000 -4.222) 5.839 7.884 ( 10.891 -0.000 7.522) 13.236 8.134 ( -4.971 0.000 -1.137) 5.099 8.194 ( -1.434 0.000 1.178) 1.855 8.380 ( -2.884 0.000 4.304) 5.181 8.396 ( -0.595 0.000 -3.649) 3.697 8.494 ( -10.573 0.000 -6.404) 12.361 8.641 ( 1.235 -0.000 -3.004) 3.249 8.678 ( -6.070 0.000 -2.892) 6.724 8.695 ( -6.747 0.000 3.700) 7.695 8.874 ( 5.062 -0.000 -1.049) 5.169 8.912 ( 1.315 -0.000 -2.598) 2.912 8.997 ( 0.727 -0.000 -1.304) 1.493 9.329 ( 10.539 -0.000 -5.267) 11.782 9.517 ( -0.673 0.000 3.693) 3.753 9.661 ( 3.568 -0.000 -0.388) 3.589 9.727 ( 1.358 -0.000 11.568) 11.648 9.752 ( -1.870 0.000 -7.850) 8.070 9.904 ( -11.038 0.000 3.123) 11.471 10.095 ( 1.161 -0.000 0.973) 1.515 10.120 ( -3.219 0.000 5.211) 6.125 10.274 ( 1.978 -0.000 -6.537) 6.829 10.323 ( 1.506 -0.000 -2.879) 3.249 10.418 ( 5.148 -0.000 1.610) 5.394 10.778 ( -3.280 0.000 5.290) 6.224 10.833 ( -2.987 0.000 -4.075) 5.052 10.945 ( -1.791 0.000 2.217) 2.850 10.982 ( -0.058 0.000 -4.850) 4.851 11.000 ( 1.276 -0.000 3.411) 3.642 11.075 ( -0.596 0.000 2.605) 2.673 11.239 ( 4.070 -0.000 0.455) 4.095 11.261 ( 3.766 -0.000 -6.697) 7.684 11.371 ( -2.182 0.000 6.765) 7.109 11.594 ( 7.057 -0.000 -4.259) 8.243 11.787 ( -0.695 0.000 -0.101) 0.702 11.801 ( -0.739 0.000 -0.318) 0.805 12.148 ( -4.376 0.000 11.075) 11.908 12.211 ( 2.416 -0.000 -8.326) 8.670 12.275 ( -1.860 0.000 5.523) 5.828 12.429 ( 2.148 -0.000 -8.242) 8.517 12.808 ( -0.287 0.000 -0.164) 0.331 12.838 ( 1.433 -0.000 0.058) 1.434 ======================= Grid point 177 (81/115) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.466 ( 11.406 -8.629 -19.573) 24.242 1.563 ( 10.576 -8.984 -17.971) 22.705 1.623 ( 8.575 -6.848 18.227) 21.275 1.687 ( 10.965 -7.583 17.755) 22.203 2.423 ( 15.782 -9.388 -26.535) 32.269 2.520 ( 10.300 -9.078 22.191) 26.094 2.872 ( -5.334 0.597 -3.361) 6.333 2.936 ( -3.872 -0.154 2.625) 4.681 3.019 ( -5.185 4.913 3.817) 8.099 3.078 ( -4.726 1.049 0.883) 4.921 3.195 ( -4.929 6.482 1.218) 8.234 3.304 ( 0.014 1.487 -1.628) 2.205 3.717 ( -3.915 4.208 5.778) 8.149 3.763 ( 3.001 0.743 -8.031) 8.606 3.854 ( 0.091 8.226 3.387) 8.897 3.935 ( 0.298 7.220 -2.077) 7.519 3.943 ( 0.975 1.255 -1.014) 1.886 4.083 ( 0.175 0.429 -1.628) 1.693 4.192 ( -1.312 -2.410 1.721) 3.239 4.262 ( -0.229 -2.668 0.230) 2.688 4.331 ( -1.578 -2.603 1.420) 3.359 4.348 ( 0.632 -3.062 -0.085) 3.127 6.335 ( -0.631 1.492 -1.282) 2.066 6.417 ( 1.419 -1.901 1.247) 2.680 7.030 ( -0.103 -7.063 2.848) 7.616 7.113 ( 2.406 -4.265 4.636) 6.743 7.161 ( -0.039 -8.139 7.883) 11.331 7.213 ( 1.097 -8.707 -4.140) 9.703 7.462 ( -2.086 -2.241 -5.043) 5.900 7.537 ( 0.402 -7.271 0.175) 7.284 7.628 ( -0.603 -2.916 -2.800) 4.087 8.014 ( 10.139 -1.052 5.554) 11.609 8.154 ( -5.047 -7.122 -1.743) 8.901 8.263 ( -1.875 -7.846 1.623) 8.229 8.356 ( -5.468 0.008 -2.834) 6.159 8.357 ( -2.449 0.808 1.137) 2.818 8.439 ( -5.500 -3.475 -1.670) 6.717 8.649 ( -2.399 -2.569 -3.145) 4.716 8.662 ( -1.496 -3.472 -2.466) 4.514 8.691 ( -1.212 -1.843 1.699) 2.784 8.885 ( 3.003 -0.014 0.158) 3.007 8.992 ( -1.664 -6.184 0.386) 6.415 9.051 ( 4.014 -4.078 -1.842) 6.011 9.323 ( -5.132 -1.546 -8.681) 10.203 9.557 ( 3.902 1.305 5.864) 7.164 9.651 ( -4.296 0.073 -7.277) 8.451 9.692 ( -0.777 1.806 -0.232) 1.980 9.761 ( -7.920 1.119 4.854) 9.357 9.848 ( 5.788 2.960 8.294) 10.538 10.056 ( 1.690 3.884 0.649) 4.285 10.125 ( -4.387 -0.287 3.966) 5.921 10.286 ( 2.584 -1.469 -3.753) 4.788 10.292 ( 0.904 3.296 -3.918) 5.199 10.454 ( 4.005 0.457 0.650) 4.083 10.727 ( -1.813 4.082 3.950) 5.962 10.793 ( -0.874 1.140 -2.995) 3.322 10.900 ( 0.194 3.500 -3.460) 4.925 10.976 ( -0.416 3.207 2.195) 3.908 10.988 ( -0.973 2.696 0.387) 2.892 11.034 ( 0.683 2.120 2.436) 3.301 11.208 ( 3.939 4.149 -4.634) 7.362 11.276 ( 3.210 0.618 -1.224) 3.491 11.400 ( 0.289 0.304 7.474) 7.486 11.606 ( 4.594 1.549 -5.523) 7.349 11.779 ( 0.292 0.830 1.595) 1.822 11.786 ( -0.278 0.423 -0.150) 0.528 12.104 ( -5.672 3.379 8.840) 11.033 12.179 ( 0.906 1.466 -9.101) 9.263 12.280 ( -0.112 1.816 4.464) 4.820 12.368 ( 2.305 3.765 -5.252) 6.861 12.795 ( -0.291 1.524 -1.000) 1.846 12.837 ( 0.969 1.761 0.610) 2.101 ======================= Grid point 178 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.705 ( 10.613 -13.823 -14.538) 22.695 1.783 ( 10.490 -11.487 -13.111) 20.344 1.918 ( 7.702 -10.195 11.265) 17.034 2.000 ( 10.820 -8.241 12.952) 18.782 2.678 ( 11.628 -11.179 -11.568) 19.850 2.779 ( -1.435 -2.587 4.368) 5.276 2.820 ( -2.627 -1.760 -4.408) 5.425 2.880 ( -3.053 6.655 3.401) 8.073 2.924 ( -4.859 -4.013 3.507) 7.212 3.015 ( -4.028 5.682 1.704) 7.170 3.053 ( -2.156 1.616 3.901) 4.741 3.242 ( 0.762 5.522 -0.241) 5.580 3.612 ( -0.767 6.386 2.402) 6.866 3.691 ( -2.280 8.566 3.217) 9.430 3.739 ( 5.983 3.322 -7.921) 10.468 3.794 ( 0.022 6.788 -0.963) 6.856 3.950 ( 0.909 -1.590 3.078) 3.582 4.047 ( -4.021 -0.370 -4.118) 5.768 4.241 ( 2.384 -0.728 3.777) 4.526 4.293 ( -1.252 -1.359 0.628) 1.952 4.377 ( -1.744 -2.624 1.084) 3.332 4.398 ( 0.072 -1.956 -1.040) 2.217 6.312 ( 0.448 0.245 -0.536) 0.740 6.465 ( 1.281 -0.972 1.489) 2.191 7.180 ( -2.177 -5.859 8.070) 10.208 7.257 ( 3.583 -7.464 1.848) 8.484 7.374 ( 0.904 -12.293 -0.481) 12.336 7.439 ( -0.072 -5.079 -5.626) 7.580 7.489 ( -3.822 -13.997 5.741) 15.604 7.678 ( -0.193 -8.925 -4.623) 10.053 7.752 ( 0.732 -11.016 -1.867) 11.197 8.139 ( 5.597 -4.174 1.580) 7.158 8.262 ( -3.204 -4.126 0.753) 5.278 8.328 ( 4.321 1.532 -5.507) 7.166 8.343 ( -4.361 -5.866 4.019) 8.342 8.434 ( -1.097 -10.337 1.436) 10.493 8.493 ( -5.179 -7.658 -1.083) 9.308 8.673 ( -1.086 -2.669 -2.277) 3.673 8.742 ( -1.014 -6.428 -2.452) 6.954 8.753 ( 0.682 -4.238 2.751) 5.099 8.929 ( 1.867 -1.681 1.906) 3.153 9.066 ( -3.992 -3.811 -0.056) 5.519 9.163 ( 1.613 -3.994 -1.843) 4.685 9.285 ( -6.957 -5.442 -8.279) 12.106 9.537 ( -2.628 5.889 0.817) 6.501 9.562 ( -5.307 -1.480 -5.237) 7.601 9.595 ( -5.636 6.669 3.872) 9.551 9.717 ( 1.167 1.542 2.744) 3.356 9.854 ( 4.114 4.473 2.328) 6.508 10.019 ( 6.235 4.625 -0.153) 7.765 10.080 ( -5.465 2.872 2.491) 6.658 10.167 ( 0.165 7.036 0.280) 7.043 10.366 ( 3.185 -4.132 2.358) 5.725 10.470 ( 1.556 0.970 -0.220) 1.847 10.639 ( -0.227 6.277 -0.162) 6.283 10.695 ( -2.352 8.008 -2.428) 8.692 10.839 ( 4.768 4.771 0.464) 6.761 10.850 ( 0.370 4.979 -0.504) 5.018 10.931 ( -2.922 1.125 -1.054) 3.304 11.056 ( 4.424 1.243 0.605) 4.635 11.161 ( 5.473 2.607 -1.632) 6.279 11.247 ( -0.374 3.789 -2.402) 4.502 11.408 ( -1.287 0.983 6.240) 6.447 11.593 ( 2.648 0.619 -3.060) 4.094 11.775 ( -0.683 -0.349 1.468) 1.656 11.800 ( 2.412 -0.319 0.866) 2.583 12.040 ( -3.031 2.877 7.280) 8.394 12.088 ( -2.564 2.897 -7.826) 8.730 12.230 ( 1.768 4.288 -1.614) 4.911 12.316 ( 1.215 2.802 -0.029) 3.054 12.732 ( -0.497 4.142 -1.246) 4.354 12.786 ( 0.286 4.530 0.962) 4.640 ======================= Grid point 179 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.986 ( 7.445 -12.403 -9.530) 17.323 2.041 ( 8.899 -12.367 -8.829) 17.609 2.208 ( 6.507 -9.993 5.664) 13.202 2.262 ( 8.649 -6.009 7.747) 13.074 2.662 ( -4.485 6.035 -1.276) 7.627 2.719 ( -0.873 6.549 2.874) 7.205 2.790 ( -3.270 5.431 0.869) 6.398 2.858 ( -5.352 0.218 -0.389) 5.370 2.939 ( 1.525 -6.026 -1.285) 6.348 3.029 ( -2.739 -3.721 2.432) 5.221 3.098 ( 0.001 -3.542 2.596) 4.392 3.113 ( -2.751 5.408 0.832) 6.124 3.502 ( 1.087 4.939 -3.468) 6.132 3.535 ( -1.869 7.765 4.463) 9.149 3.639 ( 4.739 6.854 -5.758) 10.128 3.732 ( 4.099 2.802 -3.428) 6.033 4.002 ( -2.350 -2.783 -1.688) 4.015 4.061 ( 0.843 -3.523 3.881) 5.309 4.267 ( 2.340 1.493 2.776) 3.926 4.320 ( -1.152 -2.357 2.049) 3.329 4.393 ( -1.433 -0.280 -1.276) 1.939 4.412 ( -0.630 -0.399 -0.551) 0.927 6.331 ( 1.506 -1.286 0.190) 1.989 6.479 ( 0.337 0.667 0.690) 1.017 7.271 ( -5.167 -3.121 8.941) 10.788 7.407 ( 1.288 -3.404 0.798) 3.726 7.427 ( -0.606 -2.823 -0.486) 2.928 7.663 ( -0.195 -14.772 0.825) 14.796 7.789 ( 1.912 -11.907 2.489) 12.314 7.844 ( -0.380 -12.526 -7.972) 14.853 8.009 ( 2.296 -15.626 -2.495) 15.989 8.250 ( -2.119 1.599 5.762) 6.344 8.256 ( 4.250 -2.217 -10.092) 11.172 8.338 ( 5.784 -3.068 2.485) 7.003 8.515 ( -3.801 -10.376 1.629) 11.170 8.612 ( -2.254 -8.724 0.842) 9.049 8.627 ( -2.735 -11.368 -3.233) 12.132 8.715 ( 0.408 -3.071 -0.758) 3.190 8.811 ( -4.296 -3.591 -0.298) 5.607 8.877 ( -0.712 -6.250 2.027) 6.609 8.996 ( 1.957 -3.739 2.075) 4.703 9.080 ( -0.162 0.172 0.464) 0.520 9.176 ( -1.933 -1.400 -4.810) 5.370 9.323 ( -3.121 3.582 0.151) 4.753 9.349 ( -4.525 3.551 -3.261) 6.612 9.411 ( -3.253 8.976 1.337) 9.640 9.562 ( -2.177 -3.076 -3.380) 5.062 9.745 ( 5.652 0.897 4.130) 7.057 9.798 ( -0.989 2.627 1.520) 3.192 9.887 ( -2.863 7.475 -6.910) 10.575 10.010 ( 6.160 5.122 1.597) 8.169 10.082 ( -4.079 4.714 8.474) 10.520 10.405 ( -0.622 7.398 -0.698) 7.457 10.439 ( 0.225 3.378 0.323) 3.401 10.486 ( -1.152 7.061 -3.361) 7.905 10.563 ( 2.188 -1.386 1.743) 3.122 10.753 ( 0.465 5.895 0.997) 5.997 10.833 ( 2.434 0.974 5.173) 5.800 10.934 ( 3.532 -0.642 -2.895) 4.611 11.038 ( 2.711 2.855 -4.329) 5.852 11.114 ( -3.639 5.168 -4.928) 8.014 11.196 ( 4.843 -0.522 0.496) 4.896 11.413 ( -1.684 -0.168 6.365) 6.586 11.598 ( 0.903 0.309 0.954) 1.349 11.783 ( -1.556 -0.092 2.162) 2.665 11.836 ( 1.539 -1.619 0.050) 2.235 11.990 ( -0.378 1.931 -3.846) 4.320 12.026 ( -1.400 0.355 3.603) 3.882 12.146 ( 1.685 5.036 -3.999) 6.647 12.271 ( 0.144 2.528 0.121) 2.535 12.638 ( -0.594 4.544 -0.934) 4.677 12.696 ( 0.051 5.123 0.567) 5.155 ======================= Grid point 180 (84/115) ======================= q-point: ( 0.56 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.171 ( 3.902 -3.199 -2.206) 5.507 2.274 ( 4.603 -5.966 -3.213) 8.191 2.373 ( 2.516 0.166 -0.186) 2.528 2.424 ( 3.071 -1.929 1.779) 4.039 2.515 ( -1.175 5.070 1.141) 5.328 2.614 ( 2.134 4.170 0.370) 4.699 2.678 ( 0.125 -0.184 1.890) 1.903 2.848 ( -3.665 -0.053 -1.862) 4.112 2.938 ( -0.872 3.580 -1.703) 4.059 2.972 ( -6.132 -1.520 -1.239) 6.438 3.152 ( -4.198 -5.507 4.896) 8.481 3.188 ( -3.217 -5.741 5.840) 8.798 3.403 ( 1.175 5.761 2.405) 6.352 3.428 ( -1.775 3.395 -2.444) 4.544 3.563 ( 6.599 4.006 -5.333) 9.383 3.685 ( 1.992 3.718 -1.892) 4.623 4.056 ( 1.456 -4.451 -3.519) 5.858 4.118 ( -0.191 0.486 4.617) 4.646 4.286 ( 1.695 -0.365 1.248) 2.136 4.355 ( -0.550 1.358 -2.183) 2.629 4.363 ( -0.365 -1.343 1.481) 2.032 4.406 ( -1.295 -0.173 -0.220) 1.324 6.364 ( 0.701 -0.335 0.527) 0.939 6.465 ( 0.379 0.622 -0.597) 0.942 7.282 ( -6.931 -0.602 7.013) 9.878 7.435 ( -1.944 -2.173 0.076) 2.917 7.506 ( 3.285 0.256 6.173) 6.998 7.867 ( -1.027 -7.888 -0.152) 7.956 7.938 ( 0.006 -2.833 -1.683) 3.295 8.041 ( 1.781 -9.164 -9.888) 13.599 8.172 ( 8.149 4.194 -9.229) 13.006 8.203 ( 3.242 2.390 4.071) 5.727 8.413 ( 0.995 -15.604 -1.506) 15.708 8.537 ( 1.160 -11.341 1.291) 11.473 8.610 ( -5.148 -1.654 -2.232) 5.850 8.706 ( -3.558 -3.223 5.726) 7.473 8.748 ( -1.915 -3.744 -0.976) 4.317 8.807 ( -0.439 -4.731 -2.353) 5.302 8.822 ( 0.984 -0.687 2.838) 3.082 8.924 ( -2.897 -0.234 -3.055) 4.217 8.991 ( -1.034 4.524 1.183) 4.789 9.079 ( -2.259 11.013 -0.689) 11.263 9.139 ( 1.588 -4.301 2.960) 5.457 9.242 ( 5.623 -4.060 2.115) 7.250 9.280 ( -1.234 2.090 2.216) 3.286 9.372 ( -3.485 -5.108 -3.394) 7.054 9.554 ( 0.736 3.821 -5.412) 6.666 9.686 ( 0.180 4.054 2.525) 4.779 9.734 ( -2.040 3.726 -0.050) 4.249 9.826 ( -5.497 1.698 -1.257) 5.889 9.958 ( 4.162 0.161 0.834) 4.248 10.061 ( 3.578 -1.337 5.268) 6.507 10.205 ( -0.471 9.362 1.674) 9.522 10.383 ( 0.636 2.201 0.480) 2.340 10.435 ( -2.506 -2.245 -1.072) 3.531 10.572 ( 2.695 3.368 -3.668) 5.663 10.717 ( -0.911 0.522 4.393) 4.517 10.821 ( -5.451 1.941 -3.683) 6.859 10.898 ( -1.815 3.005 2.254) 4.172 11.008 ( 5.764 -0.037 -1.825) 6.046 11.052 ( 2.150 -0.096 -3.499) 4.108 11.229 ( 2.037 0.444 -2.274) 3.085 11.439 ( -0.479 -0.669 5.460) 5.522 11.594 ( -1.086 1.759 5.271) 5.662 11.777 ( -2.034 -0.554 1.945) 2.868 11.879 ( -1.340 -2.386 0.133) 2.739 11.959 ( 1.518 0.854 -2.146) 2.764 12.029 ( 2.581 2.704 -1.449) 4.009 12.057 ( -0.473 0.988 -2.548) 2.774 12.242 ( 0.751 0.549 -0.556) 1.084 12.567 ( -0.512 1.791 -0.179) 1.871 12.624 ( 0.067 2.051 -0.423) 2.096 ======================= Grid point 181 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.084 ( -0.263 13.342 7.082) 15.108 2.123 ( -3.041 17.061 5.124) 18.072 2.318 ( -0.266 6.641 -6.321) 9.172 2.349 ( 0.811 8.359 -2.854) 8.870 2.605 ( 3.493 -9.072 -0.436) 9.731 2.653 ( 2.283 -5.092 -1.374) 5.747 2.777 ( 3.164 -4.483 -1.500) 5.688 2.838 ( -2.830 -3.439 -2.547) 5.131 2.915 ( -2.066 -2.680 -1.710) 3.792 2.943 ( -6.968 -2.966 -1.359) 7.694 3.174 ( -1.760 4.499 2.844) 5.606 3.284 ( -4.252 6.116 7.485) 10.559 3.304 ( 0.354 -2.907 2.609) 3.922 3.425 ( 3.067 -4.647 4.055) 6.888 3.550 ( 3.326 -0.672 -4.400) 5.557 3.654 ( 0.836 -1.279 -3.307) 3.643 4.097 ( -1.863 1.391 0.789) 2.455 4.145 ( 4.668 -2.861 -1.521) 5.682 4.226 ( -2.100 4.579 -3.370) 6.060 4.358 ( -0.539 0.443 -1.538) 1.689 4.383 ( 1.044 -1.254 1.634) 2.309 4.411 ( -0.746 -1.036 1.247) 1.784 6.352 ( 0.212 1.651 0.748) 1.825 6.461 ( -0.355 -0.170 -1.810) 1.852 7.258 ( -4.783 0.837 6.530) 8.137 7.427 ( -3.295 1.665 0.582) 3.738 7.517 ( 1.769 3.519 7.307) 8.301 7.888 ( -2.902 3.405 -6.654) 8.018 7.967 ( 1.896 -0.906 -2.888) 3.572 8.023 ( -0.236 6.809 -1.539) 6.985 8.100 ( 8.583 5.602 -3.263) 10.756 8.276 ( 5.092 -0.196 -2.795) 5.812 8.382 ( -1.552 11.688 -0.009) 11.791 8.487 ( -0.046 13.112 -4.260) 13.787 8.676 ( -1.874 -1.237 2.363) 3.260 8.735 ( -2.597 2.751 0.049) 3.783 8.777 ( 1.618 -3.321 1.252) 3.900 8.835 ( 3.081 5.575 -0.469) 6.387 8.880 ( -0.616 -3.095 1.103) 3.343 8.937 ( 2.204 0.848 3.230) 4.002 8.979 ( -1.034 -1.579 2.778) 3.358 9.026 ( -0.743 -11.864 -0.000) 11.888 9.161 ( -3.292 -0.370 -1.794) 3.767 9.252 ( -0.291 4.260 -5.165) 6.701 9.309 ( 1.570 -3.853 2.158) 4.687 9.435 ( 0.551 0.819 3.282) 3.427 9.539 ( -0.559 -4.802 -2.775) 5.575 9.632 ( 1.438 -1.027 3.132) 3.596 9.682 ( -3.286 -1.736 0.813) 3.804 9.808 ( -4.110 -2.725 -3.128) 5.840 9.955 ( 4.991 3.795 3.102) 6.996 10.119 ( 1.102 -1.745 2.624) 3.338 10.263 ( 1.459 -9.079 4.174) 10.099 10.352 ( -0.575 -0.510 -2.588) 2.700 10.492 ( -3.086 -3.335 2.453) 5.164 10.535 ( 2.878 -0.583 -4.748) 5.583 10.672 ( 1.444 1.545 -4.072) 4.589 10.728 ( -4.727 0.760 -0.283) 4.796 10.871 ( -4.136 -0.031 4.234) 5.919 11.055 ( 4.873 -0.132 -1.928) 5.243 11.084 ( 1.444 -1.792 -0.714) 2.410 11.189 ( -1.233 2.197 -3.862) 4.611 11.462 ( 0.667 0.500 2.843) 2.963 11.558 ( -3.042 2.743 6.023) 7.284 11.782 ( -1.494 -0.296 1.113) 1.886 11.879 ( -2.767 0.914 -1.228) 3.162 11.953 ( 0.118 -0.548 0.470) 0.731 12.002 ( 2.933 -0.204 0.542) 2.990 12.081 ( 2.426 -1.993 -3.060) 4.384 12.256 ( 0.535 -1.666 -2.008) 2.664 12.570 ( -0.262 -2.289 0.997) 2.511 12.630 ( 0.281 -2.933 -1.636) 3.370 ======================= Grid point 182 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.772 ( -3.585 19.733 10.400) 22.592 1.822 ( -0.748 17.916 12.722) 21.986 2.096 ( -0.345 11.297 -12.841) 17.107 2.141 ( 0.949 11.462 -9.544) 14.945 2.695 ( -1.434 11.314 4.586) 12.292 2.791 ( 0.148 -4.940 0.811) 5.009 2.805 ( -2.411 0.533 2.453) 3.480 2.847 ( 1.374 -5.880 -2.213) 6.431 2.954 ( -4.040 -5.112 0.542) 6.538 3.019 ( 0.527 -4.868 -1.042) 5.006 3.061 ( 3.584 -0.213 0.387) 3.611 3.170 ( -5.223 2.926 2.446) 6.467 3.453 ( 1.064 -7.814 2.583) 8.298 3.545 ( 1.982 -2.280 3.508) 4.629 3.619 ( 2.002 -7.125 -5.536) 9.243 3.719 ( 0.684 -6.271 -4.616) 7.817 4.047 ( 0.743 2.617 -1.719) 3.218 4.112 ( -3.470 3.559 -0.260) 4.977 4.220 ( 3.644 -1.612 -0.627) 4.034 4.317 ( -2.306 1.405 -1.470) 3.074 4.408 ( 0.249 0.550 1.672) 1.777 4.425 ( 0.075 -0.143 0.387) 0.419 6.337 ( 1.596 0.890 1.251) 2.214 6.438 ( -2.276 0.424 -2.456) 3.376 7.218 ( -3.114 3.162 6.305) 7.710 7.325 ( -3.494 5.779 0.706) 6.790 7.465 ( 1.050 7.297 6.261) 9.672 7.705 ( 0.073 10.935 -9.397) 14.418 7.837 ( -2.457 9.842 2.817) 10.527 7.894 ( 4.002 9.138 -4.644) 11.003 7.985 ( 2.621 14.834 1.440) 15.132 8.152 ( -3.255 14.076 -6.269) 15.749 8.200 ( 3.323 -0.474 6.182) 7.035 8.415 ( 2.392 -3.298 -6.295) 7.498 8.597 ( 1.264 9.754 0.192) 9.838 8.629 ( 0.207 6.599 1.135) 6.700 8.726 ( 4.517 6.665 1.573) 8.203 8.813 ( -0.213 4.672 2.826) 5.464 8.833 ( 3.774 2.822 0.400) 4.729 8.905 ( 0.813 3.761 -2.707) 4.705 8.945 ( -2.084 3.145 0.232) 3.780 9.094 ( -7.053 5.411 -0.297) 8.895 9.211 ( -0.096 -3.452 0.134) 3.456 9.254 ( 1.691 -5.314 -4.896) 7.421 9.467 ( 3.128 -7.771 3.211) 8.971 9.502 ( 0.163 -7.790 0.813) 7.834 9.580 ( -2.732 -4.029 -2.980) 5.708 9.694 ( -3.831 -0.566 1.563) 4.176 9.719 ( -2.697 -4.569 4.649) 7.054 9.826 ( 4.528 -2.128 -1.734) 5.295 10.019 ( 5.315 -3.230 7.953) 10.096 10.182 ( -2.790 -3.766 -0.713) 4.741 10.336 ( -2.914 -1.524 -0.628) 3.348 10.421 ( -2.568 0.104 -5.523) 6.091 10.485 ( 0.583 -5.181 5.151) 7.329 10.642 ( 2.328 -5.712 -5.091) 7.998 10.725 ( 2.169 -3.044 3.104) 4.858 10.746 ( 3.828 -6.976 0.497) 7.973 10.868 ( -4.641 -2.105 3.043) 5.935 11.057 ( -3.016 0.632 -6.642) 7.322 11.101 ( 5.253 -0.056 -1.745) 5.536 11.157 ( -2.879 -1.771 -0.067) 3.381 11.452 ( -1.685 1.511 2.584) 3.435 11.500 ( -1.376 2.417 1.501) 3.160 11.768 ( -1.405 0.554 0.747) 1.685 11.826 ( -0.250 1.470 -3.195) 3.526 11.986 ( -3.339 -2.593 5.725) 7.117 12.072 ( 2.818 -3.196 2.666) 5.027 12.138 ( 4.073 -2.677 -3.409) 5.948 12.282 ( -0.820 -2.310 -3.616) 4.369 12.645 ( 0.054 -4.743 1.824) 5.082 12.708 ( 0.353 -5.424 -2.474) 5.972 ======================= Grid point 183 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.460 ( -0.114 17.370 17.464) 24.632 1.546 ( -0.258 17.570 17.685) 24.930 1.812 ( 0.685 11.608 -18.695) 22.017 1.879 ( 2.377 11.600 -17.513) 21.140 2.359 ( -0.440 23.344 22.603) 32.497 2.711 ( -0.244 6.240 -9.276) 11.182 2.896 ( -0.137 -0.835 -1.887) 2.068 2.918 ( -1.415 -4.276 0.027) 4.504 3.058 ( 1.409 -3.492 1.692) 4.128 3.076 ( -0.471 -3.707 -0.384) 3.756 3.139 ( -5.478 -6.029 1.131) 8.224 3.192 ( 2.734 -7.582 -3.680) 8.860 3.601 ( -0.131 -4.708 4.222) 6.325 3.631 ( 1.641 -7.131 -0.496) 7.334 3.768 ( 1.971 -7.846 -1.758) 8.278 3.818 ( -0.729 -5.881 -5.900) 8.362 4.022 ( 3.317 1.828 0.266) 3.797 4.036 ( -3.191 1.145 -0.682) 3.458 4.252 ( -0.131 0.502 1.036) 1.159 4.268 ( -0.909 1.001 -0.904) 1.627 4.382 ( -0.602 2.720 2.242) 3.576 4.412 ( 0.351 1.829 -0.902) 2.069 6.356 ( 2.526 -0.098 1.582) 2.982 6.397 ( -2.747 0.223 -2.558) 3.760 7.133 ( -3.028 5.778 6.157) 8.970 7.183 ( -1.451 7.463 1.131) 7.687 7.296 ( -0.309 12.889 5.492) 14.014 7.445 ( 1.918 12.290 -8.884) 15.286 7.656 ( -1.602 9.795 2.596) 10.259 7.738 ( 1.139 12.311 -2.240) 12.564 7.769 ( 4.709 5.825 2.283) 7.830 7.879 ( -5.191 7.595 -6.160) 11.072 8.281 ( 2.283 -0.325 6.514) 6.910 8.421 ( 0.470 7.210 3.805) 8.167 8.427 ( -0.437 2.973 -6.612) 7.263 8.486 ( 0.527 7.289 -2.799) 7.826 8.687 ( 6.334 4.945 2.307) 8.360 8.732 ( 1.617 4.070 -1.033) 4.500 8.795 ( -1.982 1.874 -0.644) 2.803 8.825 ( -3.624 0.591 -2.516) 4.452 8.911 ( -4.814 3.193 1.162) 5.893 8.939 ( 4.528 4.250 -2.043) 6.537 9.190 ( -2.929 4.204 0.864) 5.196 9.250 ( 5.441 4.095 -5.962) 9.051 9.566 ( -2.769 -1.602 0.650) 3.264 9.582 ( 3.527 -0.335 -0.145) 3.545 9.653 ( -4.000 -2.297 5.422) 7.118 9.728 ( 0.533 -5.749 -0.291) 5.781 9.852 ( -3.392 -8.327 3.273) 9.569 9.912 ( 4.543 -4.274 -3.369) 7.089 10.161 ( -0.944 -3.561 5.820) 6.888 10.213 ( 0.395 -2.051 3.882) 4.408 10.308 ( -1.428 0.721 -2.133) 2.666 10.367 ( -0.585 0.595 -5.008) 5.077 10.616 ( -2.063 -6.085 7.703) 10.031 10.748 ( 2.471 -5.930 -5.178) 8.251 10.845 ( 4.312 -3.819 4.039) 7.035 10.896 ( -3.891 -4.344 0.162) 5.834 10.935 ( 1.100 -6.871 1.237) 7.068 11.012 ( 0.479 -2.112 -5.535) 5.944 11.146 ( -3.426 -0.626 -1.002) 3.624 11.163 ( 3.325 -2.389 -2.707) 4.909 11.405 ( -5.237 0.971 4.719) 7.116 11.487 ( 3.820 -0.133 -3.471) 5.164 11.760 ( -1.017 -0.655 1.167) 1.681 11.800 ( 0.424 0.107 -2.885) 2.917 12.036 ( -3.658 -2.771 8.000) 9.222 12.164 ( 1.732 -3.538 -0.404) 3.960 12.215 ( 2.530 -2.740 0.369) 3.748 12.304 ( -0.143 -3.073 -4.467) 5.424 12.743 ( 0.422 -4.212 1.976) 4.672 12.790 ( -0.112 -3.944 -2.996) 4.954 ======================= Grid point 186 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.430 ( 17.056 -0.000 -18.343) 25.048 1.490 ( 15.806 -0.000 -20.416) 25.820 1.738 ( 9.727 -0.000 20.109) 22.338 1.790 ( 10.790 -0.000 21.067) 23.669 2.378 ( 22.377 -0.000 -27.319) 35.314 2.625 ( 11.185 -0.000 17.085) 20.421 2.789 ( -8.059 0.000 -4.706) 9.332 2.926 ( -3.575 0.000 4.422) 5.686 2.998 ( -9.707 0.000 0.622) 9.727 3.078 ( -3.612 0.000 4.830) 6.031 3.249 ( -5.857 0.000 2.386) 6.325 3.256 ( -1.399 0.000 -6.182) 6.338 3.735 ( -5.968 0.000 6.765) 9.021 3.763 ( 3.821 -0.000 -5.344) 6.569 3.961 ( 1.286 -0.000 -2.330) 2.661 3.988 ( 2.544 -0.000 3.973) 4.717 4.045 ( 1.814 -0.000 -2.700) 3.253 4.096 ( -0.042 0.000 0.107) 0.115 4.121 ( -2.663 0.000 0.974) 2.835 4.187 ( -2.092 0.000 -1.568) 2.614 4.282 ( -4.228 0.000 0.122) 4.230 4.346 ( 2.828 -0.000 1.477) 3.191 6.349 ( -0.541 0.000 -0.615) 0.819 6.407 ( 2.094 -0.000 0.664) 2.197 6.966 ( -0.060 0.000 1.783) 1.784 7.106 ( 0.719 -0.000 -0.799) 1.075 7.112 ( 5.511 -0.000 -1.266) 5.655 7.134 ( -3.439 0.000 13.518) 13.949 7.413 ( 1.060 -0.000 -11.193) 11.243 7.477 ( -1.350 0.000 4.869) 5.053 7.602 ( 2.148 -0.000 -0.765) 2.281 8.007 ( -4.632 0.000 -2.211) 5.133 8.121 ( 4.506 -0.000 1.381) 4.713 8.159 ( -3.019 0.000 -0.088) 3.020 8.310 ( -0.652 0.000 2.745) 2.821 8.335 ( -6.728 0.000 6.292) 9.212 8.393 ( 0.657 -0.000 -2.531) 2.615 8.569 ( -2.368 0.000 -4.165) 4.791 8.626 ( 1.756 -0.000 -5.380) 5.659 8.692 ( 1.696 -0.000 3.724) 4.092 8.893 ( -1.232 0.000 -1.008) 1.592 8.919 ( 0.190 -0.000 1.138) 1.154 9.058 ( 6.315 -0.000 0.381) 6.326 9.186 ( -12.270 0.000 -9.061) 15.253 9.545 ( -8.332 0.000 -12.438) 14.971 9.634 ( 1.859 -0.000 7.756) 7.976 9.693 ( -2.808 0.000 2.787) 3.957 9.734 ( -8.235 0.000 7.186) 10.929 9.997 ( 9.660 -0.000 9.223) 13.356 10.088 ( -1.265 0.000 -4.621) 4.791 10.104 ( -1.549 0.000 5.669) 5.877 10.250 ( -0.039 0.000 -3.229) 3.229 10.342 ( 3.489 -0.000 -4.560) 5.742 10.466 ( -0.201 0.000 -2.452) 2.460 10.782 ( -1.293 0.000 4.199) 4.394 10.784 ( 3.698 -0.000 -2.269) 4.339 10.930 ( 0.809 -0.000 -1.032) 1.312 11.015 ( -1.864 0.000 -1.842) 2.621 11.046 ( -1.222 0.000 2.784) 3.041 11.048 ( 4.347 -0.000 3.114) 5.347 11.246 ( 3.174 -0.000 -8.147) 8.743 11.303 ( 2.608 -0.000 0.329) 2.629 11.449 ( 1.084 -0.000 8.231) 8.302 11.618 ( 1.256 -0.000 -7.044) 7.155 11.784 ( -1.028 0.000 1.046) 1.466 11.805 ( 1.882 -0.000 0.710) 2.012 12.120 ( -6.497 0.000 8.395) 10.615 12.159 ( 0.919 -0.000 -11.152) 11.190 12.328 ( -0.501 0.000 7.546) 7.563 12.398 ( 2.621 -0.000 -6.711) 7.205 12.809 ( 0.400 -0.000 0.221) 0.457 12.861 ( 1.357 -0.000 -0.549) 1.463 ======================= Grid point 187 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.568 ( 17.488 -6.375 -13.612) 23.060 1.647 ( 16.690 -8.188 -15.625) 24.284 1.918 ( 7.756 -3.428 16.175) 18.263 2.032 ( 11.224 -5.968 17.027) 21.248 2.551 ( 20.626 -8.169 -18.963) 29.185 2.697 ( -9.720 -2.963 -2.427) 10.447 2.766 ( 0.803 1.581 2.479) 3.048 2.896 ( -3.230 1.015 3.337) 4.754 2.940 ( -4.526 0.264 3.235) 5.570 3.039 ( -3.732 1.062 4.506) 5.946 3.124 ( -3.755 5.820 0.236) 6.930 3.267 ( -1.934 -1.494 -3.649) 4.391 3.695 ( -4.805 2.382 7.049) 8.857 3.778 ( 4.216 1.604 -1.783) 4.850 3.880 ( 0.430 8.963 0.275) 8.978 3.932 ( 1.868 6.747 -1.820) 7.234 3.965 ( 1.840 1.843 -0.791) 2.722 4.042 ( -1.944 3.183 -1.197) 3.917 4.192 ( -1.742 -4.241 0.987) 4.690 4.241 ( -1.596 -4.460 -0.535) 4.767 4.298 ( -2.370 -4.585 0.753) 5.215 4.376 ( 1.441 -0.459 0.637) 1.641 6.332 ( 0.847 1.054 0.109) 1.356 6.450 ( 1.412 -1.822 0.343) 2.331 7.051 ( -0.089 -7.914 1.980) 8.159 7.151 ( 0.153 -6.116 -2.852) 6.750 7.199 ( -4.467 -4.878 10.722) 12.598 7.271 ( 5.035 -9.941 4.289) 11.940 7.375 ( -0.068 -0.188 -8.421) 8.424 7.524 ( -2.345 -5.218 -0.428) 5.737 7.657 ( 4.920 -2.721 1.036) 5.717 8.040 ( -1.162 -6.601 -0.675) 6.736 8.137 ( -2.060 -3.565 -3.787) 5.594 8.211 ( -3.901 -7.764 -1.677) 8.850 8.318 ( -3.634 -0.311 7.111) 7.992 8.377 ( 1.077 -2.459 5.147) 5.805 8.401 ( 3.872 0.327 -0.336) 3.900 8.575 ( -0.841 -3.769 -4.852) 6.201 8.643 ( 0.117 -2.765 -3.247) 4.266 8.736 ( 2.815 -1.011 2.366) 3.814 8.902 ( 0.030 -1.769 -0.129) 1.774 8.968 ( -1.541 -4.019 2.674) 5.067 9.066 ( -9.971 -2.813 -8.861) 13.633 9.130 ( 1.672 -2.968 -0.577) 3.455 9.431 ( -7.063 -0.717 -10.403) 12.595 9.628 ( -1.762 2.868 7.171) 7.921 9.677 ( -4.723 3.310 7.316) 9.316 9.717 ( -2.060 -1.614 5.710) 6.281 9.970 ( 0.098 4.913 -2.892) 5.702 10.054 ( -5.377 0.752 0.376) 5.442 10.162 ( 5.922 2.233 4.312) 7.658 10.278 ( -0.402 2.550 0.648) 2.661 10.310 ( 4.465 -2.930 -2.781) 6.021 10.459 ( -1.030 -1.132 -3.847) 4.140 10.739 ( -2.522 4.633 2.755) 5.951 10.803 ( 4.046 3.125 -0.819) 5.178 10.912 ( 2.891 2.297 -1.345) 3.929 10.957 ( 2.400 3.823 -0.440) 4.535 10.993 ( 0.516 4.794 0.153) 4.824 11.103 ( 2.755 -0.173 0.130) 2.764 11.236 ( 5.451 1.522 -3.416) 6.611 11.295 ( -0.115 2.608 -1.370) 2.948 11.457 ( -1.551 2.199 5.506) 6.128 11.595 ( 0.786 -0.397 -5.436) 5.506 11.780 ( -0.381 0.369 2.329) 2.389 11.818 ( 1.416 0.135 -0.169) 1.432 12.090 ( -2.928 1.858 5.767) 6.729 12.093 ( -0.826 2.439 -7.569) 7.995 12.311 ( -1.124 3.358 3.834) 5.219 12.374 ( 2.303 2.275 -3.653) 4.881 12.791 ( 0.324 2.505 0.010) 2.526 12.852 ( 0.683 1.969 -0.281) 2.103 ======================= Grid point 188 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.820 ( 14.439 -10.156 -7.988) 19.376 1.890 ( 14.203 -9.513 -10.903) 20.275 2.129 ( 5.337 -7.095 9.331) 12.880 2.300 ( 11.581 -4.913 11.783) 17.237 2.647 ( -10.854 -0.915 -2.159) 11.104 2.683 ( -6.465 -1.349 -3.007) 7.256 2.797 ( 4.222 -5.615 -3.775) 7.976 2.869 ( 0.878 -0.152 0.463) 1.004 2.912 ( -0.325 1.263 2.070) 2.447 2.972 ( -2.098 6.860 1.483) 7.326 3.059 ( -2.831 -2.397 3.341) 4.992 3.221 ( -0.693 4.005 -4.815) 6.301 3.604 ( -4.169 6.679 4.534) 9.086 3.703 ( 0.667 7.870 3.769) 8.752 3.771 ( 4.131 3.984 -5.694) 8.085 3.801 ( 3.103 6.193 -3.751) 7.877 3.964 ( -0.427 0.911 -3.625) 3.762 4.029 ( 3.194 -2.903 5.181) 6.743 4.240 ( -4.708 -4.098 1.377) 6.392 4.303 ( 1.220 -1.591 0.777) 2.150 4.353 ( -1.848 -2.250 0.806) 3.021 4.392 ( 0.114 -0.688 -0.944) 1.174 6.337 ( 2.196 -0.082 0.545) 2.265 6.480 ( -0.164 -0.656 -0.243) 0.719 7.199 ( -4.561 -4.873 9.216) 11.379 7.294 ( -0.993 -8.387 -1.516) 8.581 7.355 ( -1.483 -6.942 1.331) 7.222 7.380 ( 1.038 -10.830 -1.737) 11.017 7.565 ( 4.285 -14.764 1.015) 15.406 7.621 ( -1.675 -7.781 -3.790) 8.815 7.804 ( 5.332 -7.841 2.684) 9.854 8.156 ( 1.986 -5.686 -4.895) 7.761 8.251 ( 0.236 -7.997 1.758) 8.191 8.326 ( -1.388 -4.456 -1.393) 4.871 8.341 ( -2.858 -5.814 3.239) 7.244 8.425 ( 0.312 -2.621 -1.875) 3.237 8.451 ( -2.079 -4.891 0.208) 5.318 8.634 ( -1.254 -4.625 -3.184) 5.753 8.688 ( -4.208 -4.650 -0.928) 6.340 8.795 ( 0.791 -2.718 3.071) 4.176 8.931 ( 0.351 -3.158 -4.884) 5.827 9.046 ( -2.514 -3.575 2.185) 4.886 9.074 ( -0.418 -5.499 -2.832) 6.199 9.197 ( -3.067 -5.564 -0.658) 6.387 9.374 ( -2.885 -0.366 -4.745) 5.565 9.558 ( -1.823 6.930 4.994) 8.734 9.602 ( 0.070 5.434 5.971) 8.074 9.749 ( -0.632 -1.529 4.877) 5.150 9.867 ( -0.242 4.013 -3.341) 5.227 9.968 ( -4.627 4.826 0.578) 6.711 10.143 ( 2.037 3.354 0.220) 3.930 10.177 ( -1.695 4.606 3.743) 6.172 10.432 ( -1.259 0.068 -2.700) 2.980 10.457 ( 2.920 -2.530 -2.224) 4.458 10.611 ( -1.209 5.327 2.290) 5.923 10.685 ( 1.806 10.703 0.108) 10.855 10.878 ( 2.336 5.788 -1.737) 6.479 10.905 ( 2.109 3.534 0.522) 4.148 10.960 ( 5.790 0.277 0.382) 5.809 11.097 ( 2.442 2.114 -3.706) 4.916 11.167 ( -4.237 7.241 -5.145) 9.842 11.255 ( 5.265 1.325 0.607) 5.463 11.433 ( -1.495 0.572 5.697) 5.917 11.601 ( 1.396 -0.992 -3.058) 3.505 11.784 ( -0.781 0.121 2.797) 2.906 11.821 ( -0.285 -0.243 -1.255) 1.310 12.010 ( 1.724 2.755 -5.596) 6.471 12.067 ( -1.733 1.777 7.841) 8.224 12.233 ( -1.196 4.723 0.087) 4.872 12.322 ( 1.025 3.112 -2.865) 4.352 12.723 ( 0.088 4.797 -0.066) 4.798 12.791 ( -0.068 4.629 -0.282) 4.638 ======================= Grid point 189 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.084 ( 10.452 -8.791 -3.330) 14.058 2.139 ( 9.907 -9.966 -5.824) 15.212 2.326 ( 1.390 -7.394 2.400) 7.897 2.457 ( 4.707 1.564 3.451) 6.043 2.560 ( -3.261 -1.653 -0.861) 3.757 2.710 ( -1.513 -2.023 -1.373) 2.875 2.765 ( -1.955 3.557 2.222) 4.627 2.782 ( -2.471 7.263 4.770) 9.034 2.910 ( -2.892 1.832 -2.504) 4.242 2.974 ( -3.914 -5.844 1.640) 7.222 3.075 ( 0.478 7.061 -3.728) 7.999 3.123 ( -3.840 -4.821 6.231) 8.764 3.455 ( -3.121 6.074 0.553) 6.852 3.566 ( -0.138 8.331 3.130) 8.901 3.680 ( 5.118 4.895 -6.118) 9.359 3.765 ( 3.768 2.307 -4.155) 6.065 3.986 ( 3.769 -2.665 -2.508) 5.253 4.117 ( -0.234 -2.020 3.393) 3.955 4.282 ( -2.061 -2.828 2.760) 4.457 4.335 ( 0.263 -0.949 1.469) 1.769 4.358 ( -0.825 0.153 -1.570) 1.780 4.392 ( -0.883 -0.047 -0.743) 1.155 6.368 ( 2.126 -0.606 0.647) 2.303 6.472 ( -0.937 0.459 -0.973) 1.427 7.244 ( -5.933 -1.587 9.782) 11.550 7.369 ( -1.388 -3.371 0.760) 3.724 7.498 ( 2.938 -6.567 0.057) 7.194 7.691 ( 1.547 -15.892 1.430) 16.031 7.739 ( -2.408 -8.202 -4.320) 9.578 7.855 ( 2.507 -11.954 -2.085) 12.390 8.062 ( 3.517 -14.826 1.261) 15.290 8.255 ( 6.533 -3.413 -10.162) 12.554 8.292 ( 0.223 1.708 5.572) 5.832 8.366 ( -2.876 -3.744 -3.349) 5.788 8.451 ( -2.115 -6.253 -0.779) 6.646 8.560 ( -2.431 -9.773 -1.543) 10.189 8.589 ( 0.147 -12.371 -1.525) 12.465 8.685 ( -4.519 -4.479 2.217) 6.738 8.759 ( -2.169 -6.373 0.253) 6.737 8.868 ( 0.640 -2.582 -0.237) 2.671 9.003 ( -1.383 -4.688 -1.174) 5.026 9.080 ( 0.063 -3.122 1.291) 3.379 9.198 ( 2.679 -5.679 0.361) 6.290 9.249 ( -3.953 1.101 -0.169) 4.107 9.301 ( 0.514 3.594 -2.003) 4.146 9.387 ( -0.860 10.561 2.945) 10.997 9.556 ( 1.341 0.579 0.915) 1.723 9.750 ( -2.801 2.986 -1.741) 4.449 9.796 ( -2.647 7.595 -0.221) 8.046 9.867 ( 3.982 -1.053 6.205) 7.448 10.060 ( -0.083 7.449 -0.093) 7.450 10.142 ( 1.068 1.635 8.855) 9.068 10.332 ( -4.149 4.195 -5.743) 8.234 10.425 ( -0.841 2.110 -1.210) 2.574 10.485 ( 1.727 10.412 -0.265) 10.558 10.632 ( 3.330 0.903 0.394) 3.473 10.777 ( -0.038 4.659 3.597) 5.886 10.833 ( -3.088 5.143 -4.604) 7.562 10.980 ( -0.299 5.979 -0.693) 6.027 11.013 ( 3.139 -1.385 -2.581) 4.293 11.062 ( 2.812 1.244 -4.699) 5.616 11.252 ( 0.152 1.797 -0.713) 1.939 11.462 ( 1.106 -0.636 6.873) 6.990 11.624 ( 0.987 -0.350 0.389) 1.117 11.771 ( -2.576 0.639 2.826) 3.877 11.827 ( -0.219 -1.636 -2.690) 3.156 11.978 ( 2.115 1.477 -1.675) 3.076 12.065 ( 0.408 0.789 5.911) 5.978 12.124 ( -0.669 5.116 -3.122) 6.030 12.265 ( 0.202 2.069 -2.510) 3.259 12.629 ( 0.116 4.903 0.125) 4.906 12.691 ( -0.502 5.077 -0.781) 5.161 ======================= Grid point 190 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.259 ( 5.404 -0.489 2.053) 5.801 2.337 ( 4.669 -1.491 -0.350) 4.914 2.382 ( -0.220 2.346 -2.650) 3.546 2.425 ( -2.203 -0.090 0.210) 2.215 2.544 ( 1.379 3.077 1.391) 3.648 2.652 ( -0.573 5.322 -0.178) 5.356 2.717 ( 4.147 -3.360 -1.947) 5.681 2.773 ( -2.113 -0.251 -2.280) 3.119 2.823 ( -6.508 -0.061 0.640) 6.540 2.897 ( -1.255 2.982 -2.866) 4.322 3.136 ( -1.338 -5.914 5.112) 7.931 3.214 ( -4.515 -5.576 8.041) 10.777 3.353 ( 0.003 2.611 -2.540) 3.643 3.454 ( 0.291 3.458 1.156) 3.657 3.637 ( 6.152 2.955 -4.467) 8.157 3.693 ( 0.118 6.011 -0.629) 6.045 4.057 ( 1.039 -2.140 -0.740) 2.491 4.135 ( -1.074 -0.912 -0.695) 1.571 4.295 ( -0.078 3.622 -0.078) 3.624 4.340 ( 0.088 -2.068 0.613) 2.159 4.374 ( -2.182 -0.391 0.280) 2.234 4.382 ( 1.227 -1.449 -0.225) 1.912 6.383 ( 0.692 0.807 1.204) 1.606 6.451 ( -0.742 0.308 -2.082) 2.232 7.265 ( -2.890 -0.368 9.264) 9.712 7.404 ( -2.454 -1.299 0.784) 2.885 7.601 ( 2.153 -0.617 5.747) 6.168 7.806 ( -5.609 -3.734 -3.885) 7.778 7.928 ( 2.751 -6.777 -1.763) 7.524 8.004 ( 2.755 -4.642 -7.802) 9.488 8.232 ( 4.046 2.071 -4.007) 6.060 8.286 ( 3.396 2.121 -3.600) 5.384 8.423 ( 1.734 -15.529 -0.504) 15.633 8.496 ( -3.568 -11.615 -2.837) 12.478 8.577 ( 4.404 -5.642 2.266) 7.507 8.685 ( -3.039 -5.405 2.831) 6.816 8.714 ( -1.516 -2.584 1.835) 3.513 8.792 ( -0.491 -2.925 0.415) 2.995 8.849 ( -6.317 -5.121 2.339) 8.462 8.890 ( 2.412 -1.233 -5.199) 5.862 8.988 ( 3.188 4.035 2.308) 5.637 9.058 ( -1.483 8.926 0.819) 9.086 9.166 ( -0.614 -0.254 5.324) 5.365 9.258 ( -1.453 1.307 -0.133) 1.959 9.306 ( -1.322 -3.766 -2.295) 4.604 9.351 ( 3.419 -6.258 -1.985) 7.402 9.534 ( 0.822 4.136 -2.593) 4.950 9.672 ( -4.946 -0.176 -4.966) 7.011 9.712 ( 1.815 2.193 5.339) 6.050 9.766 ( 0.669 10.290 3.336) 10.838 10.055 ( 3.367 -0.474 1.620) 3.767 10.154 ( -3.378 1.670 0.618) 3.818 10.217 ( 4.682 2.694 6.693) 8.601 10.371 ( 0.844 3.197 -0.724) 3.385 10.407 ( -2.284 -2.162 0.573) 3.196 10.553 ( -3.410 4.103 -4.870) 7.223 10.695 ( 0.857 2.559 -5.048) 5.724 10.744 ( -1.357 1.855 1.104) 2.550 10.917 ( 1.887 4.225 4.204) 6.252 11.019 ( -1.484 -1.208 -2.619) 3.244 11.094 ( 4.620 -1.192 -2.660) 5.462 11.191 ( -3.681 1.894 -3.394) 5.353 11.513 ( 2.637 0.300 5.999) 6.560 11.602 ( -3.938 2.519 4.664) 6.604 11.772 ( -1.380 -0.860 3.296) 3.675 11.843 ( -0.343 -0.973 -2.066) 2.309 11.964 ( 0.595 -0.055 -1.957) 2.047 12.020 ( 0.834 3.548 -4.869) 6.082 12.099 ( 3.393 -0.116 3.552) 4.914 12.233 ( -0.570 0.105 -2.487) 2.554 12.565 ( 0.190 1.800 0.680) 1.933 12.611 ( -0.577 1.847 -1.499) 2.448 ======================= Grid point 191 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.121 ( -0.523 15.449 5.304) 16.343 2.181 ( 1.837 14.358 6.077) 15.699 2.277 ( 1.944 10.964 -5.361) 12.359 2.339 ( 0.510 10.578 -4.551) 11.527 2.644 ( 0.476 -7.044 -1.310) 7.181 2.646 ( -1.057 -9.091 -0.844) 9.191 2.770 ( -3.406 -4.399 -0.387) 5.577 2.807 ( -1.075 -2.221 -2.474) 3.494 2.842 ( 1.015 -1.088 1.522) 2.128 2.883 ( 1.347 -5.674 -2.745) 6.446 3.188 ( -5.257 1.197 6.636) 8.550 3.251 ( -0.093 5.441 3.155) 6.290 3.364 ( 2.927 -3.794 3.289) 5.812 3.488 ( 1.738 -5.642 -2.883) 6.570 3.583 ( 1.585 3.008 0.495) 3.436 3.634 ( 1.064 -0.208 -4.047) 4.189 4.061 ( -1.979 0.227 1.710) 2.625 4.119 ( -2.126 1.167 -4.454) 5.071 4.259 ( 3.281 1.265 2.551) 4.344 4.313 ( -2.450 1.653 -2.705) 4.006 4.405 ( -0.382 -1.875 1.191) 2.254 4.415 ( 0.746 -0.841 0.204) 1.143 6.375 ( 0.902 1.055 2.092) 2.510 6.422 ( -1.536 0.820 -2.734) 3.242 7.277 ( -1.008 1.639 8.441) 8.658 7.371 ( -3.372 2.321 -0.053) 4.094 7.616 ( 2.576 3.981 8.347) 9.599 7.751 ( -6.038 1.518 -5.405) 8.245 7.974 ( 1.415 5.776 -4.263) 7.317 8.021 ( 5.051 0.288 -5.542) 7.504 8.216 ( 5.663 4.926 -1.095) 7.586 8.269 ( -1.471 -3.175 -6.184) 7.105 8.381 ( -0.186 15.140 3.540) 15.550 8.455 ( -0.384 13.973 -4.110) 14.570 8.681 ( -1.232 -0.441 2.319) 2.662 8.713 ( 1.503 0.832 -0.550) 1.804 8.808 ( 1.070 -5.142 3.590) 6.362 8.856 ( -6.466 0.146 -0.186) 6.470 8.895 ( -1.282 -4.456 1.912) 5.016 8.910 ( 2.620 0.855 0.222) 2.765 9.040 ( 0.490 -4.104 3.453) 5.386 9.061 ( 3.006 -7.264 0.281) 7.867 9.120 ( 2.977 1.572 -0.722) 3.443 9.165 ( -3.988 6.419 -4.573) 8.833 9.369 ( 0.527 -3.816 3.801) 5.412 9.438 ( 2.225 -0.345 -1.168) 2.537 9.508 ( 1.076 -2.998 -2.065) 3.796 9.560 ( -4.456 -0.469 -4.341) 6.239 9.744 ( 2.149 -1.009 4.293) 4.906 9.785 ( 0.570 -4.190 -0.014) 4.229 10.076 ( 1.136 0.528 2.640) 2.922 10.092 ( -1.179 -2.212 -0.047) 2.507 10.276 ( -0.450 0.129 6.431) 6.448 10.380 ( -4.811 1.033 -3.097) 5.814 10.425 ( 3.265 -4.680 2.564) 6.256 10.528 ( 0.958 -6.023 -6.790) 9.127 10.679 ( -0.355 -0.230 0.991) 1.077 10.722 ( 0.925 -1.479 -2.524) 3.068 10.886 ( 2.590 2.861 6.309) 7.396 11.001 ( -3.433 -0.113 -5.185) 6.220 11.116 ( -3.628 0.376 -0.866) 3.749 11.131 ( 3.541 0.122 -2.509) 4.342 11.513 ( -3.711 3.774 5.528) 7.654 11.545 ( 1.081 1.711 2.529) 3.239 11.777 ( -2.296 0.510 3.861) 4.521 11.829 ( -0.837 0.763 -1.418) 1.814 11.954 ( -0.082 0.192 -0.147) 0.255 12.025 ( 3.314 -3.742 -5.303) 7.288 12.147 ( 3.512 -0.467 3.074) 4.691 12.221 ( -1.762 -1.077 -3.842) 4.362 12.579 ( 0.015 -2.602 1.573) 3.041 12.614 ( -0.135 -3.157 -2.061) 3.773 ======================= Grid point 192 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.847 ( 1.646 16.701 10.611) 19.855 1.940 ( 2.293 16.563 10.550) 19.771 2.011 ( 3.415 14.533 -13.140) 19.888 2.083 ( 2.766 13.716 -11.772) 18.285 2.746 ( -0.341 1.319 3.417) 3.678 2.762 ( -3.641 -2.589 3.200) 5.496 2.788 ( 1.093 1.142 -1.430) 2.132 2.848 ( 2.771 -4.705 -1.147) 5.580 2.934 ( -2.149 -8.383 3.424) 9.307 3.020 ( 2.618 -5.736 -3.562) 7.242 3.081 ( -6.360 4.164 1.838) 7.821 3.133 ( 1.421 5.575 5.073) 7.671 3.504 ( 1.357 -6.755 2.477) 7.322 3.554 ( 1.829 -2.202 -7.198) 7.746 3.642 ( 1.031 -6.733 2.596) 7.289 3.677 ( 0.330 -5.579 -6.022) 8.215 4.027 ( -4.045 2.233 0.156) 4.623 4.086 ( 3.184 0.384 1.818) 3.687 4.241 ( -4.580 1.333 -2.234) 5.267 4.287 ( 2.326 0.188 1.456) 2.751 4.419 ( -0.210 0.926 1.013) 1.388 4.427 ( 0.096 -0.222 -0.320) 0.401 6.368 ( -2.225 0.668 -1.285) 2.655 6.393 ( 2.081 0.537 1.346) 2.535 7.242 ( -1.627 4.927 7.227) 8.897 7.285 ( -1.304 4.192 0.835) 4.469 7.553 ( 2.541 9.846 6.194) 11.907 7.617 ( -1.254 6.591 -7.805) 10.293 7.796 ( -3.894 9.983 2.033) 10.907 7.937 ( 4.694 9.693 -5.944) 12.301 8.033 ( 1.552 15.971 4.607) 16.694 8.078 ( 0.593 15.248 -6.231) 16.483 8.288 ( -0.639 -1.685 4.517) 4.863 8.353 ( -0.413 -3.419 -7.552) 8.300 8.602 ( -1.827 8.269 0.141) 8.470 8.650 ( 1.145 8.470 -0.581) 8.567 8.777 ( -5.473 3.139 -1.503) 6.486 8.781 ( -3.854 3.514 3.078) 6.056 8.839 ( -0.644 2.575 1.358) 2.981 8.864 ( 3.006 7.164 0.104) 7.770 8.969 ( -3.870 6.806 -2.029) 8.088 9.094 ( 10.318 3.663 0.903) 10.986 9.187 ( -2.644 -3.831 0.386) 4.671 9.266 ( 3.901 -4.846 -4.397) 7.618 9.481 ( -2.445 -8.586 0.913) 8.974 9.537 ( 1.338 -2.310 0.597) 2.736 9.548 ( -2.981 -9.618 -1.440) 10.172 9.635 ( 8.289 -3.087 3.925) 9.677 9.776 ( -2.493 -0.792 3.490) 4.361 9.843 ( -0.402 -3.289 -5.698) 6.591 10.104 ( -3.975 -4.077 3.575) 6.724 10.167 ( 0.858 -2.453 -0.515) 2.649 10.280 ( -3.364 0.207 4.549) 5.661 10.352 ( 1.427 -2.309 -1.185) 2.962 10.546 ( 1.324 -3.754 2.725) 4.824 10.626 ( 1.315 -6.706 -7.396) 10.070 10.738 ( -3.239 -6.485 1.849) 7.481 10.779 ( -1.074 -5.418 -1.187) 5.650 10.919 ( 3.695 0.772 4.208) 5.653 10.961 ( 2.264 -1.660 -4.322) 5.154 11.094 ( -3.652 -0.421 -0.489) 3.709 11.156 ( 3.204 -1.100 -0.892) 3.503 11.424 ( -4.918 2.874 4.284) 7.128 11.535 ( 3.998 2.137 -0.063) 4.533 11.758 ( -1.746 0.753 2.918) 3.483 11.803 ( 0.537 0.888 -2.246) 2.474 11.979 ( -2.741 -2.625 5.090) 6.349 12.111 ( 3.976 -3.895 -4.844) 7.379 12.204 ( 0.505 -1.628 0.927) 1.940 12.216 ( -0.637 -2.603 -3.203) 4.176 12.664 ( 0.083 -5.112 2.090) 5.524 12.687 ( -0.287 -5.138 -2.452) 5.700 ======================= Grid point 196 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.642 ( 21.179 -0.000 -9.303) 23.132 1.652 ( 20.129 -0.000 -14.006) 24.522 2.019 ( 4.608 -0.000 13.608) 14.367 2.117 ( 7.042 -0.000 18.737) 20.017 2.564 ( -11.172 0.000 -2.412) 11.430 2.583 ( 22.842 -0.000 -18.763) 29.561 2.832 ( -8.644 0.000 1.007) 8.702 2.886 ( 8.375 -0.000 -1.004) 8.435 2.894 ( -4.921 0.000 3.830) 6.236 3.037 ( -8.052 0.000 8.152) 11.458 3.171 ( -3.385 0.000 -1.995) 3.929 3.174 ( -1.054 0.000 -6.265) 6.353 3.703 ( -4.278 0.000 6.705) 7.954 3.839 ( 5.564 -0.000 2.461) 6.084 3.949 ( 0.578 -0.000 -3.397) 3.446 4.030 ( -0.489 0.000 1.130) 1.231 4.038 ( 0.150 -0.000 -2.061) 2.066 4.068 ( -3.036 0.000 -0.045) 3.036 4.127 ( 1.951 -0.000 2.131) 2.889 4.172 ( 1.173 -0.000 -0.822) 1.433 4.182 ( -6.327 0.000 -0.801) 6.378 4.387 ( 0.646 -0.000 0.342) 0.731 6.350 ( 0.453 -0.000 0.868) 0.979 6.445 ( 2.011 -0.000 -0.849) 2.183 6.973 ( -0.251 0.000 0.769) 0.809 7.060 ( -0.839 0.000 -3.694) 3.788 7.178 ( -5.865 0.000 14.394) 15.543 7.239 ( 5.392 -0.000 2.580) 5.977 7.348 ( 2.860 -0.000 -10.713) 11.088 7.450 ( -3.549 0.000 0.610) 3.601 7.698 ( 7.082 -0.000 4.089) 8.178 7.967 ( -0.254 0.000 1.589) 1.609 8.062 ( -2.812 0.000 -4.049) 4.930 8.099 ( -3.382 0.000 -1.132) 3.566 8.310 ( -1.707 0.000 6.566) 6.784 8.366 ( 0.807 -0.000 -0.915) 1.220 8.455 ( 0.668 -0.000 3.205) 3.274 8.508 ( -0.422 0.000 -7.004) 7.017 8.599 ( -3.330 0.000 -0.073) 3.330 8.761 ( 3.627 -0.000 -0.787) 3.712 8.904 ( 3.128 -0.000 1.712) 3.566 8.910 ( -7.130 0.000 -9.457) 11.844 8.930 ( -2.243 0.000 3.544) 4.195 9.100 ( -2.820 0.000 -3.266) 4.315 9.352 ( -0.596 0.000 -5.309) 5.343 9.662 ( -4.983 0.000 7.294) 8.834 9.708 ( -0.082 0.000 10.034) 10.034 9.724 ( -1.433 0.000 9.251) 9.361 9.988 ( -2.572 0.000 -8.495) 8.876 10.015 ( -4.118 0.000 2.761) 4.958 10.196 ( -3.026 0.000 -2.790) 4.116 10.307 ( -3.368 0.000 -4.006) 5.234 10.328 ( 10.146 -0.000 5.793) 11.683 10.413 ( -0.729 0.000 -4.929) 4.982 10.768 ( -4.989 0.000 3.999) 6.394 10.874 ( 5.550 -0.000 -0.132) 5.552 10.947 ( 0.945 -0.000 -1.506) 1.778 11.016 ( 4.834 -0.000 -0.923) 4.921 11.076 ( 3.228 -0.000 1.123) 3.418 11.108 ( 3.730 -0.000 -2.727) 4.620 11.288 ( 6.034 -0.000 -1.327) 6.178 11.312 ( -1.359 0.000 -2.034) 2.446 11.486 ( -3.817 0.000 5.405) 6.616 11.556 ( -0.339 0.000 -7.483) 7.491 11.793 ( -0.545 0.000 2.857) 2.909 11.824 ( 0.372 -0.000 -1.166) 1.223 12.089 ( 2.994 -0.000 -9.485) 9.947 12.109 ( -3.105 0.000 7.699) 8.302 12.345 ( -4.972 0.000 6.960) 8.553 12.400 ( 3.527 -0.000 -6.138) 7.079 12.824 ( 0.643 -0.000 0.811) 1.034 12.874 ( 1.000 -0.000 -1.087) 1.477 ======================= Grid point 197 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.804 ( 19.602 -4.062 -6.758) 21.129 1.848 ( 19.199 -5.241 -8.987) 21.836 2.100 ( -1.398 -2.831 8.895) 9.439 2.297 ( -0.942 -6.933 13.629) 15.320 2.507 ( -4.392 -2.793 -1.141) 5.328 2.692 ( -2.330 5.574 -1.235) 6.166 2.732 ( 9.200 -3.015 -6.687) 11.767 2.860 ( -1.600 -0.214 -0.498) 1.689 2.961 ( 2.726 0.084 -2.017) 3.392 2.992 ( -6.807 -1.304 5.098) 8.604 3.080 ( -2.080 4.940 0.264) 5.366 3.191 ( -0.858 -2.341 -7.303) 7.717 3.681 ( -3.359 2.555 7.233) 8.374 3.841 ( 1.623 4.686 1.694) 5.240 3.882 ( 1.244 6.543 -2.390) 7.076 3.954 ( 1.600 7.871 -2.541) 8.424 3.974 ( 1.622 1.640 -2.550) 3.439 4.047 ( 0.333 -0.523 1.075) 1.241 4.122 ( -4.176 -3.275 3.013) 6.103 4.235 ( 0.291 -5.512 0.395) 5.534 4.278 ( -0.878 -4.912 0.571) 5.023 4.385 ( -0.516 -0.035 -0.940) 1.073 6.358 ( 1.305 0.094 1.226) 1.793 6.461 ( 0.307 -0.732 -1.566) 1.756 7.062 ( -0.201 -8.546 1.604) 8.698 7.113 ( -0.476 -7.370 -2.291) 7.733 7.209 ( -7.010 -3.372 12.561) 14.774 7.316 ( -0.116 -1.540 -2.402) 2.856 7.388 ( 7.115 -7.454 -4.410) 11.208 7.474 ( -1.613 -4.910 -1.860) 5.492 7.800 ( 7.131 -1.969 6.726) 9.998 8.046 ( -2.876 -7.846 -1.785) 8.545 8.079 ( 3.749 -4.183 0.722) 5.663 8.137 ( -3.594 -7.278 -1.480) 8.251 8.347 ( 0.278 -0.545 7.412) 7.438 8.378 ( -0.852 -1.250 -3.573) 3.880 8.412 ( -2.452 1.172 -3.814) 4.684 8.513 ( -3.766 -3.861 -5.031) 7.376 8.586 ( -4.211 -2.445 1.748) 5.174 8.788 ( 2.018 -0.791 -0.613) 2.252 8.857 ( 1.212 -1.938 -8.683) 8.979 8.954 ( -3.226 -2.910 3.009) 5.284 8.974 ( -0.369 -4.343 -1.261) 4.538 9.067 ( -5.595 -3.533 -4.209) 7.842 9.386 ( 8.244 0.138 3.515) 8.964 9.641 ( -3.909 1.680 7.114) 8.289 9.728 ( 1.430 3.760 9.618) 10.425 9.758 ( 0.288 -0.321 7.755) 7.767 9.905 ( -0.409 2.742 -7.318) 7.826 9.990 ( -3.742 0.972 3.766) 5.397 10.162 ( -2.409 -0.104 -1.558) 2.871 10.209 ( -6.665 2.040 -4.887) 8.513 10.397 ( -0.667 -0.362 -4.865) 4.924 10.443 ( 5.073 -1.833 1.694) 5.654 10.703 ( -3.029 3.988 4.593) 6.795 10.865 ( 2.877 5.812 1.801) 6.730 10.927 ( 1.068 0.847 -6.350) 6.495 11.008 ( 2.308 4.428 0.922) 5.077 11.073 ( 7.456 3.930 0.680) 8.455 11.139 ( 4.257 1.035 -1.999) 4.816 11.235 ( -3.316 4.600 -4.496) 7.236 11.319 ( 3.310 1.191 0.085) 3.518 11.447 ( -3.278 0.825 3.927) 5.181 11.556 ( 0.182 -2.377 -5.272) 5.786 11.792 ( -1.696 0.308 2.665) 3.174 11.814 ( 0.126 0.430 -1.971) 2.021 12.069 ( 5.208 2.322 -5.019) 7.596 12.109 ( -2.116 0.870 6.796) 7.171 12.292 ( -5.573 3.247 4.998) 8.159 12.376 ( 2.800 2.631 -5.838) 6.989 12.803 ( 0.532 3.024 0.821) 3.178 12.855 ( 0.303 2.382 -1.051) 2.621 ======================= Grid point 198 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.038 ( 14.538 -6.550 -1.575) 16.023 2.065 ( 15.006 -5.922 -6.508) 17.395 2.180 ( -5.876 -6.705 2.458) 9.248 2.376 ( -15.794 -6.055 -1.068) 16.948 2.585 ( 8.040 2.359 5.777) 10.177 2.629 ( 2.709 -3.637 2.054) 4.978 2.774 ( -4.592 -2.298 4.216) 6.643 2.895 ( 1.385 -0.413 -2.618) 2.991 2.937 ( 0.237 5.769 4.014) 7.032 2.968 ( 1.705 3.139 -2.551) 4.389 2.998 ( -6.803 -3.857 1.508) 7.965 3.147 ( -1.157 2.883 -8.119) 8.693 3.589 ( -2.343 7.734 7.221) 10.837 3.734 ( -1.451 8.219 2.682) 8.766 3.778 ( 1.635 6.186 -4.618) 7.891 3.817 ( 3.966 3.042 -5.784) 7.645 3.993 ( 6.380 -1.184 -2.821) 7.076 4.071 ( -3.927 -2.405 0.277) 4.613 4.205 ( -0.208 -4.175 5.848) 7.188 4.309 ( -0.344 -2.465 -0.775) 2.606 4.332 ( -1.617 -1.952 1.455) 2.922 4.381 ( -0.335 -0.477 -1.530) 1.637 6.382 ( 1.973 -0.441 1.215) 2.358 6.457 ( -1.461 -0.165 -1.643) 2.205 7.194 ( -5.400 -3.761 10.992) 12.811 7.286 ( 1.085 -8.255 1.104) 8.399 7.343 ( -0.835 -9.221 -1.643) 9.404 7.379 ( 0.345 -11.917 -2.184) 12.121 7.583 ( 0.317 -8.363 -1.990) 8.602 7.614 ( 3.268 -12.719 -3.875) 13.692 7.941 ( 3.220 -4.517 9.112) 10.668 8.161 ( 2.318 -7.222 -3.065) 8.180 8.244 ( -2.062 -5.288 -3.910) 6.892 8.260 ( -4.824 -7.037 -0.834) 8.572 8.349 ( -2.417 -6.894 -1.784) 7.520 8.389 ( 0.731 -3.787 5.470) 6.693 8.435 ( 4.716 -2.219 -5.420) 7.519 8.550 ( -4.064 -5.797 -0.532) 7.100 8.642 ( 0.823 -3.708 -0.871) 3.897 8.816 ( -2.283 -2.209 -2.201) 3.865 8.901 ( 0.130 -4.423 -2.199) 4.941 8.993 ( -0.580 -5.131 -1.250) 5.312 9.066 ( -2.060 -6.744 -1.125) 7.141 9.124 ( -2.213 -6.434 -2.718) 7.326 9.454 ( 8.584 4.634 6.086) 11.498 9.572 ( -2.156 6.593 4.667) 8.360 9.651 ( 0.505 6.880 4.179) 8.066 9.800 ( 0.971 3.323 -1.604) 3.815 9.843 ( 2.833 -0.348 0.007) 2.855 9.952 ( -1.376 2.483 9.390) 9.810 10.113 ( -6.716 0.925 -2.977) 7.405 10.161 ( -0.524 -1.494 2.743) 3.167 10.347 ( -2.166 3.304 -4.338) 5.867 10.443 ( -1.284 2.081 -3.322) 4.125 10.672 ( 2.949 2.007 3.017) 4.672 10.737 ( 3.004 10.428 2.711) 11.185 10.868 ( -0.253 3.006 -6.572) 7.232 10.908 ( -3.018 7.946 -1.471) 8.626 11.016 ( -0.031 3.897 -0.624) 3.947 11.105 ( 1.659 3.130 -4.312) 5.580 11.135 ( 6.980 5.217 0.717) 8.744 11.281 ( -3.161 2.715 -0.175) 4.171 11.467 ( -1.367 -2.029 6.151) 6.620 11.594 ( 1.899 -2.851 -4.577) 5.717 11.772 ( -2.908 0.729 2.366) 3.819 11.805 ( 1.771 0.032 -2.801) 3.314 12.048 ( 3.232 3.175 1.043) 4.649 12.108 ( 0.612 0.659 3.702) 3.810 12.186 ( -5.245 4.575 3.102) 7.620 12.310 ( 2.053 3.688 -5.989) 7.327 12.733 ( 0.643 5.151 0.868) 5.263 12.779 ( -0.502 4.933 -1.220) 5.106 ======================= Grid point 199 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.224 ( -2.610 -7.696 0.701) 8.156 2.261 ( 7.566 -6.570 -3.579) 10.640 2.299 ( 4.938 -5.833 0.056) 7.643 2.335 ( -9.650 -4.512 -3.321) 11.158 2.643 ( 3.264 0.968 2.270) 4.092 2.678 ( -2.078 -0.038 -1.253) 2.427 2.770 ( -0.293 4.485 4.133) 6.106 2.830 ( 1.392 4.618 0.482) 4.848 2.856 ( 0.406 5.084 2.829) 5.832 2.952 ( 0.663 2.619 -2.837) 3.917 3.049 ( -5.141 -3.594 2.226) 6.656 3.077 ( 1.094 -5.690 -0.443) 5.811 3.456 ( 0.017 7.387 5.295) 9.089 3.556 ( -1.295 8.171 -2.042) 8.521 3.694 ( -0.633 2.611 -0.154) 2.691 3.780 ( 3.363 3.005 -6.603) 7.996 4.057 ( -1.457 -1.082 0.785) 1.978 4.082 ( 1.741 -1.894 -1.901) 3.198 4.293 ( -0.364 -3.230 4.019) 5.169 4.337 ( -0.717 -0.930 -0.971) 1.524 4.340 ( -0.747 0.125 1.764) 1.920 4.378 ( 0.513 -0.096 -1.729) 1.805 6.407 ( 1.513 0.192 1.307) 2.008 6.435 ( -2.019 0.021 -1.552) 2.547 7.256 ( -4.168 -2.586 11.149) 12.180 7.364 ( 0.180 -1.808 0.603) 1.915 7.539 ( 2.036 -9.187 1.073) 9.471 7.615 ( -2.400 -11.439 -7.058) 13.653 7.784 ( 2.956 -10.768 2.852) 11.525 7.852 ( 1.564 -11.770 -5.454) 13.066 8.104 ( -3.149 -9.684 6.304) 11.977 8.244 ( -3.022 -5.639 -3.286) 7.192 8.266 ( -2.985 -3.601 -1.014) 4.786 8.331 ( 7.712 -2.942 -7.905) 11.428 8.489 ( 2.852 -7.670 1.563) 8.331 8.526 ( 0.097 -7.404 -2.694) 7.880 8.633 ( 2.812 -11.657 1.705) 12.112 8.653 ( -1.697 -7.786 1.834) 8.177 8.705 ( -1.575 -3.364 1.572) 4.034 8.814 ( -1.569 -3.256 -6.835) 7.731 9.029 ( 1.202 -7.042 5.254) 8.868 9.115 ( -2.688 -3.038 5.392) 6.747 9.142 ( 0.534 -5.982 -5.748) 8.313 9.214 ( 1.476 -3.883 -4.003) 5.769 9.364 ( 4.621 10.655 1.723) 11.741 9.389 ( -1.906 10.549 -0.158) 10.721 9.583 ( -0.630 2.407 3.276) 4.114 9.683 ( 0.206 4.858 -6.682) 8.264 9.850 ( 2.382 5.509 8.956) 10.781 9.970 ( -1.003 7.348 1.313) 7.532 10.040 ( 1.430 -2.355 4.161) 4.991 10.190 ( -4.566 0.705 -7.807) 9.072 10.247 ( 1.101 1.057 9.141) 9.267 10.390 ( -0.270 0.969 -3.957) 4.083 10.556 ( 5.397 11.445 3.271) 13.070 10.596 ( -7.417 7.559 -2.781) 10.949 10.752 ( 1.974 3.512 -2.759) 4.883 10.776 ( -1.417 3.519 -2.737) 4.678 10.975 ( -1.425 1.155 1.709) 2.507 11.055 ( 2.406 2.071 -4.863) 5.808 11.120 ( 5.633 2.853 2.819) 6.915 11.181 ( -5.279 2.855 -2.723) 6.590 11.523 ( -3.452 -2.538 7.892) 8.980 11.620 ( -0.995 0.512 -0.593) 1.267 11.760 ( -0.341 -0.425 1.636) 1.724 11.824 ( 4.110 -1.292 -4.705) 6.379 12.001 ( -0.916 4.081 3.852) 5.686 12.066 ( -3.633 3.015 -2.265) 5.237 12.143 ( 3.484 0.451 4.002) 5.326 12.237 ( 0.838 2.474 -5.516) 6.103 12.644 ( 0.976 5.180 0.992) 5.364 12.668 ( -0.946 5.177 -1.470) 5.464 ======================= Grid point 200 (99/115) ======================= q-point: (-0.22 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.308 ( -4.552 -3.800 -2.692) 6.512 2.336 ( -1.676 2.732 0.451) 3.236 2.365 ( -1.491 -3.937 -1.503) 4.470 2.423 ( 3.979 -1.384 0.088) 4.214 2.569 ( -3.695 7.278 0.901) 8.211 2.610 ( 2.369 3.171 2.708) 4.796 2.679 ( -3.021 2.042 -0.227) 3.654 2.780 ( 1.835 1.679 -2.992) 3.891 2.848 ( 3.178 -1.279 1.988) 3.961 2.879 ( 4.067 2.528 -3.550) 5.960 3.131 ( -4.918 -5.490 5.527) 9.213 3.240 ( 3.483 -5.298 4.702) 7.893 3.396 ( 3.658 1.648 1.726) 4.367 3.428 ( -0.853 1.660 -5.445) 5.756 3.630 ( -4.662 3.388 -0.580) 5.792 3.704 ( 2.411 4.377 -3.116) 5.890 4.046 ( -4.504 -1.635 0.806) 4.859 4.111 ( 2.033 1.242 0.287) 2.400 4.316 ( 0.201 1.630 1.197) 2.032 4.320 ( -0.992 1.796 -0.823) 2.210 4.358 ( -0.952 -2.853 1.661) 3.436 4.402 ( 1.663 -1.483 -1.199) 2.531 6.409 ( 0.683 1.007 2.135) 2.457 6.412 ( -1.588 0.275 -1.813) 2.426 7.309 ( -2.569 -1.382 8.429) 8.919 7.377 ( -0.743 0.708 1.190) 1.572 7.659 ( -4.679 -3.562 -2.334) 6.327 7.712 ( 3.173 -1.339 5.634) 6.604 7.960 ( 2.710 -6.490 -5.037) 8.651 8.006 ( 4.966 -3.506 -6.390) 8.819 8.167 ( -7.103 -1.940 0.528) 7.382 8.338 ( 7.723 4.307 -7.773) 11.774 8.419 ( -2.587 -13.229 -0.089) 13.480 8.468 ( 2.574 -13.226 -0.039) 13.474 8.623 ( -6.658 -7.805 -1.771) 10.411 8.694 ( 1.796 -6.570 1.258) 6.926 8.721 ( -3.016 -1.464 1.144) 3.543 8.758 ( -0.640 -1.808 7.039) 7.295 8.799 ( 3.962 -0.261 -0.310) 3.983 8.920 ( 5.157 -7.388 -4.022) 9.867 9.004 ( -3.748 6.307 0.999) 7.405 9.075 ( 2.613 5.701 -0.371) 6.282 9.210 ( -1.691 2.259 5.701) 6.361 9.238 ( 0.074 2.688 0.534) 2.742 9.299 ( 1.938 -6.005 -0.261) 6.315 9.343 ( 0.940 -5.364 -7.401) 9.189 9.549 ( -0.756 1.576 -0.032) 1.748 9.606 ( 4.892 4.056 -1.246) 6.476 9.765 ( -2.527 4.478 1.377) 5.323 9.798 ( 0.875 7.103 -0.037) 7.157 10.056 ( -4.297 1.996 1.412) 4.944 10.133 ( 4.470 1.795 1.020) 4.924 10.305 ( -4.883 -4.143 2.179) 6.764 10.369 ( -5.971 3.871 1.526) 7.278 10.415 ( 3.173 -0.613 -2.436) 4.047 10.474 ( 6.173 5.121 1.050) 8.089 10.676 ( -3.336 2.388 -2.480) 4.794 10.737 ( 3.730 1.428 -0.771) 4.067 10.945 ( -3.722 0.829 1.653) 4.157 11.018 ( 2.142 2.725 -0.189) 3.471 11.087 ( -3.786 0.371 -2.509) 4.557 11.152 ( 4.346 0.371 -0.426) 4.382 11.539 ( -5.953 1.248 3.469) 7.002 11.583 ( -2.740 0.232 6.634) 7.181 11.776 ( 1.073 0.075 1.109) 1.545 11.861 ( 2.846 1.253 -1.130) 3.308 11.954 ( -0.125 -0.737 -0.851) 1.132 11.989 ( -0.343 1.513 -3.564) 3.887 12.171 ( -0.127 0.244 -0.453) 0.530 12.198 ( 1.966 0.638 -1.685) 2.666 12.580 ( -0.202 1.993 0.330) 2.030 12.590 ( 0.432 1.741 -0.549) 1.876 ======================= Grid point 201 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.174 ( 2.160 12.558 2.434) 12.973 2.237 ( 4.558 10.691 -3.262) 12.071 2.274 ( -1.364 9.019 -6.798) 11.376 2.296 ( 0.851 13.805 1.075) 13.873 2.576 ( -3.720 -8.449 0.892) 9.274 2.659 ( -1.493 -6.146 -0.044) 6.325 2.703 ( -3.698 -5.406 3.102) 7.247 2.817 ( 1.918 -4.859 1.075) 5.333 2.886 ( 3.610 -0.631 0.677) 3.727 2.945 ( 5.427 -3.455 -1.140) 6.533 3.133 ( -4.160 4.047 4.100) 7.106 3.308 ( -0.891 2.918 6.365) 7.058 3.431 ( 1.993 -0.525 -0.934) 2.262 3.466 ( 1.978 -5.442 -7.388) 9.387 3.542 ( -1.834 -2.946 -3.487) 4.920 3.642 ( 0.986 2.046 -1.550) 2.749 4.070 ( -1.153 2.428 1.022) 2.875 4.078 ( -0.651 -1.885 4.904) 5.293 4.243 ( -1.954 3.308 -3.137) 4.960 4.316 ( 0.991 0.547 2.454) 2.702 4.403 ( -0.143 -2.040 -0.322) 2.070 4.426 ( 0.307 -0.354 -0.201) 0.510 6.371 ( -1.418 1.717 -1.150) 2.506 6.420 ( 1.228 -0.159 2.164) 2.493 7.325 ( -1.027 1.019 1.138) 1.841 7.341 ( -1.241 3.183 7.900) 8.607 7.618 ( -5.349 0.964 -3.215) 6.315 7.748 ( 4.224 4.652 7.933) 10.120 7.959 ( 1.142 7.079 -4.081) 8.251 8.069 ( 5.862 0.361 -6.895) 9.057 8.155 ( -1.912 -3.354 -6.200) 7.303 8.267 ( -1.170 3.130 -3.030) 4.511 8.396 ( -1.145 13.738 2.998) 14.107 8.428 ( 1.321 15.396 -1.778) 15.555 8.673 ( -0.179 1.048 2.332) 2.563 8.739 ( 0.035 -3.814 -2.323) 4.466 8.745 ( -3.529 -0.145 4.994) 6.116 8.821 ( -2.906 -1.376 1.960) 3.766 8.898 ( 0.768 0.188 -0.510) 0.941 8.983 ( -4.405 -5.051 -0.237) 6.707 9.020 ( 3.875 1.728 0.146) 4.245 9.053 ( -1.884 -0.235 -4.314) 4.713 9.138 ( 3.349 -0.998 1.164) 3.684 9.187 ( 1.343 -1.046 1.071) 2.011 9.377 ( -2.932 -3.030 -4.971) 6.518 9.429 ( 4.647 -1.380 2.792) 5.594 9.535 ( 4.099 -0.586 -2.757) 4.975 9.638 ( 6.856 -3.505 3.322) 8.386 9.732 ( -3.651 -2.010 -2.536) 4.878 9.759 ( -1.393 -2.101 0.328) 2.543 10.005 ( -5.511 -0.716 -0.312) 5.566 10.141 ( -0.796 0.486 -0.472) 1.045 10.287 ( -0.633 -0.888 2.365) 2.604 10.343 ( -2.931 -2.500 2.084) 4.380 10.476 ( 3.219 -1.284 -2.023) 4.013 10.507 ( 4.364 -4.230 0.810) 6.131 10.623 ( -5.674 -1.756 -1.685) 6.174 10.738 ( 1.252 0.667 -0.010) 1.419 10.937 ( 2.441 -1.059 -2.279) 3.503 11.000 ( 1.819 1.081 4.445) 4.923 11.066 ( -1.528 -0.290 -0.273) 1.580 11.166 ( 2.105 0.412 -1.434) 2.580 11.456 ( -4.845 3.084 3.363) 6.656 11.588 ( -1.884 0.468 4.354) 4.767 11.782 ( 1.381 0.931 1.520) 2.255 11.826 ( -0.476 2.188 1.092) 2.491 11.952 ( -0.375 -0.407 0.967) 1.114 12.040 ( 3.820 -4.788 -5.795) 8.432 12.140 ( -2.492 -0.142 -5.122) 5.698 12.214 ( 1.298 -0.462 2.014) 2.440 12.590 ( -0.207 -3.014 -0.017) 3.022 12.602 ( 0.339 -2.459 0.176) 2.489 ======================= Grid point 206 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.903 ( 20.058 -0.000 -8.628) 21.834 1.947 ( 17.926 -0.000 -2.357) 18.080 2.055 ( -7.712 0.000 4.416) 8.887 2.193 ( -16.251 0.000 8.563) 18.369 2.505 ( 7.116 -0.000 5.416) 8.943 2.729 ( 0.715 -0.000 -1.180) 1.379 2.778 ( 2.736 -0.000 -1.708) 3.226 2.859 ( 2.989 -0.000 -2.624) 3.977 2.913 ( -0.420 0.000 -7.479) 7.491 2.945 ( -9.984 0.000 5.429) 11.364 3.108 ( -2.408 0.000 -0.534) 2.467 3.145 ( 2.957 -0.000 -4.417) 5.315 3.722 ( 0.464 -0.000 6.938) 6.953 3.899 ( -1.930 0.000 0.766) 2.077 3.941 ( 1.887 -0.000 -2.961) 3.511 3.973 ( -5.837 0.000 -1.464) 6.017 4.030 ( 0.868 -0.000 -1.553) 1.780 4.041 ( 0.280 -0.000 -2.094) 2.113 4.138 ( 1.897 -0.000 4.771) 5.134 4.187 ( 0.606 -0.000 -0.143) 0.623 4.189 ( 2.112 -0.000 2.988) 3.659 4.365 ( -2.254 0.000 -2.328) 3.240 6.371 ( 0.603 -0.000 1.820) 1.917 6.448 ( 0.117 -0.000 -2.626) 2.629 6.979 ( 0.047 -0.000 1.205) 1.206 7.031 ( 0.306 -0.000 -2.366) 2.386 7.170 ( -8.631 0.000 12.832) 15.464 7.296 ( 0.720 -0.000 0.166) 0.739 7.365 ( 7.941 -0.000 -7.673) 11.042 7.407 ( -1.463 0.000 -0.873) 1.704 7.876 ( 6.391 -0.000 8.005) 10.243 7.942 ( -1.918 0.000 0.045) 1.919 8.031 ( -2.658 0.000 -1.627) 3.117 8.082 ( 4.346 -0.000 2.179) 4.862 8.317 ( -6.765 0.000 -6.126) 9.126 8.365 ( -5.949 0.000 1.624) 6.166 8.403 ( 1.316 -0.000 -3.704) 3.931 8.423 ( 1.151 -0.000 0.999) 1.524 8.557 ( 1.824 -0.000 2.901) 3.427 8.775 ( -2.294 0.000 -2.500) 3.393 8.828 ( 4.852 -0.000 -8.264) 9.583 8.892 ( -7.550 0.000 -5.676) 9.446 8.916 ( -4.253 0.000 4.968) 6.540 8.979 ( 1.848 -0.000 -5.298) 5.612 9.522 ( 14.613 -0.000 9.585) 17.476 9.653 ( -3.132 0.000 7.380) 8.018 9.793 ( -0.188 0.000 9.672) 9.674 9.816 ( 0.498 -0.000 8.438) 8.453 9.899 ( 0.945 -0.000 -8.177) 8.232 9.990 ( -1.579 0.000 3.177) 3.548 10.106 ( -12.524 0.000 -9.080) 15.469 10.127 ( -1.586 0.000 -2.590) 3.036 10.387 ( 1.828 -0.000 -1.967) 2.685 10.466 ( 1.588 -0.000 0.377) 1.632 10.737 ( -2.352 0.000 6.169) 6.602 10.910 ( -0.048 0.000 -6.817) 6.817 10.959 ( 3.620 -0.000 3.355) 4.936 11.080 ( 1.939 -0.000 1.207) 2.285 11.157 ( 2.899 -0.000 -2.110) 3.585 11.195 ( 3.554 -0.000 -2.733) 4.483 11.237 ( 1.731 -0.000 -2.409) 2.967 11.344 ( -0.463 0.000 -0.445) 0.643 11.436 ( -6.234 0.000 4.563) 7.726 11.506 ( 2.213 -0.000 -6.559) 6.922 11.786 ( -2.651 0.000 2.242) 3.472 11.818 ( 1.705 -0.000 -2.632) 3.136 12.118 ( -3.817 0.000 5.983) 7.097 12.128 ( 7.890 -0.000 -4.764) 9.217 12.295 ( -6.819 0.000 6.614) 9.500 12.403 ( 3.048 -0.000 -6.204) 6.913 12.840 ( 0.192 -0.000 1.209) 1.224 12.876 ( 0.500 -0.000 -1.374) 1.462 ======================= Grid point 207 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.971 ( -14.279 -4.155 2.983) 15.167 2.064 ( 12.594 -3.876 -6.435) 14.664 2.116 ( -14.222 -4.545 2.514) 15.140 2.151 ( 16.824 -2.094 -1.286) 17.002 2.632 ( 7.406 -2.466 6.409) 10.100 2.687 ( -3.605 1.380 1.653) 4.199 2.747 ( -2.667 2.847 2.425) 4.593 2.836 ( 0.590 -2.790 -8.013) 8.505 2.910 ( -7.088 -1.129 5.132) 8.823 2.969 ( 2.655 -3.082 -4.126) 5.794 3.049 ( -2.451 3.954 2.306) 5.192 3.144 ( 2.255 1.334 -5.812) 6.375 3.729 ( 0.942 4.331 8.307) 9.415 3.845 ( -1.423 3.392 -0.427) 3.703 3.880 ( -0.317 4.618 -2.532) 5.276 3.916 ( -0.017 6.888 -4.645) 8.308 3.987 ( -2.052 -0.414 -0.143) 2.098 4.009 ( 3.978 -0.520 -2.417) 4.684 4.200 ( 3.138 -1.389 4.873) 5.960 4.237 ( -0.555 -4.237 -0.074) 4.274 4.277 ( -0.248 -3.390 2.579) 4.267 4.342 ( -2.168 -1.452 -3.014) 3.987 6.390 ( 0.718 -0.522 2.107) 2.287 6.436 ( -0.838 -0.105 -2.607) 2.740 7.072 ( -0.729 -8.675 2.055) 8.944 7.102 ( -0.202 -8.073 -0.674) 8.104 7.177 ( -7.374 -3.448 9.758) 12.707 7.319 ( 2.957 -1.138 -1.112) 3.358 7.439 ( -0.651 -5.403 -1.602) 5.673 7.456 ( 5.440 -6.061 -5.960) 10.092 7.958 ( 1.703 -1.676 8.979) 9.291 8.018 ( 0.567 -7.256 0.876) 7.331 8.072 ( -1.327 -6.189 -0.941) 6.400 8.147 ( -1.227 -2.527 -3.344) 4.367 8.247 ( -2.637 -2.010 0.251) 3.325 8.316 ( -4.913 -2.530 -2.365) 6.011 8.430 ( 1.718 -1.387 -1.122) 2.477 8.471 ( 3.721 -1.873 -0.064) 4.166 8.640 ( 8.365 -1.226 3.058) 8.990 8.726 ( -7.870 -1.438 -4.033) 8.960 8.820 ( -2.572 -2.265 -3.381) 4.814 8.890 ( 3.842 -4.454 -6.415) 8.704 8.939 ( -4.380 -4.162 3.611) 7.039 9.027 ( 5.469 -3.298 -4.713) 7.937 9.630 ( 3.370 3.089 7.290) 8.605 9.669 ( 5.143 2.811 7.777) 9.739 9.786 ( -1.966 4.956 4.376) 6.897 9.840 ( -1.348 2.818 -7.280) 7.922 9.867 ( 5.130 -2.136 7.169) 9.071 9.978 ( -9.476 -2.778 -7.084) 12.153 9.997 ( -2.951 0.327 6.103) 6.787 10.132 ( 1.409 -1.858 -2.960) 3.768 10.387 ( 1.485 2.010 0.742) 2.607 10.448 ( -1.951 1.225 -2.775) 3.607 10.736 ( 0.029 1.563 5.661) 5.872 10.867 ( -0.377 1.356 -6.960) 7.101 10.949 ( 4.313 6.483 3.699) 8.621 11.023 ( -2.990 6.718 -1.765) 7.562 11.105 ( 0.795 4.296 -1.179) 4.525 11.147 ( -0.186 2.250 -4.812) 5.315 11.273 ( 6.609 2.331 1.185) 7.108 11.290 ( -6.336 2.437 -0.510) 6.808 11.425 ( -4.543 -1.966 5.249) 7.215 11.535 ( 3.469 -2.701 -5.682) 7.184 11.770 ( -2.288 0.401 2.132) 3.153 11.823 ( 3.429 0.390 -3.121) 4.653 12.093 ( -5.431 0.724 4.196) 6.902 12.161 ( 7.301 1.695 -3.364) 8.215 12.238 ( -5.454 3.156 7.317) 9.656 12.372 ( 2.909 3.117 -6.116) 7.456 12.819 ( 0.248 2.835 1.237) 3.103 12.845 ( -0.166 2.907 -1.428) 3.243 ======================= Grid point 208 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.975 ( -14.838 -8.877 1.710) 17.374 2.059 ( -18.187 -7.374 -2.137) 19.741 2.247 ( 11.610 -4.329 -4.701) 13.253 2.340 ( 15.782 -2.318 1.758) 16.048 2.635 ( -4.817 0.394 -0.157) 4.835 2.676 ( -0.880 0.037 -0.788) 1.182 2.790 ( -3.565 -4.471 4.619) 7.350 2.885 ( 1.311 -0.098 -1.169) 1.759 2.892 ( -3.698 -3.057 0.918) 4.885 2.985 ( -0.150 1.893 7.620) 7.853 3.002 ( 3.669 1.264 -1.508) 4.163 3.076 ( 1.951 3.899 -5.870) 7.312 3.639 ( -0.492 8.669 7.781) 11.659 3.705 ( -1.962 9.087 -0.342) 9.303 3.757 ( 0.066 5.836 -2.681) 6.422 3.824 ( 2.020 2.303 -5.833) 6.588 3.973 ( -4.885 -1.155 -0.828) 5.088 4.090 ( 6.313 -2.728 -2.100) 7.191 4.266 ( 0.458 -1.845 3.816) 4.263 4.286 ( -0.621 -2.946 -1.904) 3.562 4.330 ( -0.927 -1.546 3.425) 3.871 4.360 ( 0.010 -1.618 -1.546) 2.238 6.404 ( -2.067 -0.315 -0.478) 2.145 6.428 ( 1.199 -0.166 0.638) 1.368 7.194 ( -5.944 -4.148 10.802) 13.009 7.289 ( -3.276 -9.964 1.041) 10.540 7.331 ( 0.651 -14.135 -2.015) 14.293 7.394 ( 5.956 -4.771 -1.588) 7.795 7.583 ( 0.597 -11.155 -1.240) 11.239 7.622 ( 3.018 -10.408 -6.236) 12.502 8.022 ( -5.332 -2.164 10.823) 12.257 8.110 ( -5.833 -3.660 -7.378) 10.092 8.187 ( 0.386 -5.080 0.710) 5.144 8.218 ( 4.205 -8.977 2.373) 10.193 8.328 ( -1.655 -8.508 1.470) 8.791 8.415 ( 0.417 -6.616 -4.101) 7.795 8.508 ( 3.960 -6.992 2.387) 8.383 8.526 ( 4.700 -0.763 -6.532) 8.083 8.682 ( -2.056 -3.014 -0.194) 3.654 8.737 ( 3.595 -1.315 -1.580) 4.141 8.907 ( 1.005 -6.803 3.591) 7.758 9.000 ( 0.818 -5.932 -5.948) 8.440 9.024 ( 0.431 -6.484 2.996) 7.155 9.144 ( 6.534 -5.413 -3.616) 9.223 9.550 ( -3.473 8.002 -0.242) 8.727 9.610 ( 2.911 9.730 1.586) 10.280 9.653 ( -4.285 3.956 1.422) 6.003 9.754 ( 1.724 4.593 -2.180) 5.368 9.923 ( -7.436 -0.941 -3.119) 8.118 9.991 ( 3.972 -0.460 4.367) 5.921 10.045 ( 0.909 -2.667 10.438) 10.811 10.167 ( 4.222 0.144 -5.683) 7.081 10.331 ( -1.395 3.223 5.281) 6.341 10.393 ( 0.043 2.280 -4.112) 4.702 10.682 ( -5.862 7.037 2.256) 9.432 10.796 ( 0.742 2.892 -7.408) 7.987 10.815 ( 0.256 7.922 2.581) 8.336 10.865 ( 4.215 8.270 1.002) 9.336 11.037 ( 0.337 4.439 1.584) 4.725 11.074 ( 0.377 2.532 -5.065) 5.675 11.162 ( -8.951 3.398 -1.362) 9.671 11.264 ( 4.204 3.685 1.407) 5.764 11.457 ( -5.602 -2.890 7.268) 9.621 11.589 ( 1.328 -2.179 -4.359) 5.051 11.762 ( 0.698 -0.147 1.328) 1.508 11.835 ( 4.318 0.233 -3.753) 5.726 12.038 ( -6.833 0.768 1.559) 7.051 12.115 ( -1.914 5.604 4.147) 7.230 12.209 ( 3.708 1.257 2.270) 4.526 12.294 ( 2.604 4.618 -6.245) 8.192 12.755 ( -0.109 4.936 -0.280) 4.945 12.757 ( 0.219 5.238 -0.002) 5.242 ======================= Grid point 209 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.061 ( -11.912 -11.069 -0.302) 16.264 2.089 ( -12.347 -11.639 -1.015) 16.999 2.380 ( 4.619 -3.851 -3.402) 6.909 2.457 ( 6.420 2.111 2.130) 7.086 2.586 ( -4.736 0.807 -2.512) 5.421 2.671 ( -0.764 -2.189 1.705) 2.878 2.794 ( 1.639 5.721 1.066) 6.046 2.877 ( 2.399 6.504 -3.150) 7.614 2.893 ( 2.667 1.654 -0.317) 3.154 2.951 ( 1.474 0.401 1.133) 1.902 2.994 ( -2.450 -4.199 4.353) 6.526 3.166 ( 4.568 -7.295 1.785) 8.790 3.495 ( -1.139 7.433 0.406) 7.530 3.525 ( 0.505 8.619 1.410) 8.748 3.656 ( -3.367 4.065 0.382) 5.292 3.762 ( 0.544 2.945 -5.432) 6.202 3.956 ( -4.853 -2.309 -0.081) 5.375 4.158 ( 3.614 -0.419 -0.829) 3.732 4.307 ( -1.048 -1.838 1.283) 2.475 4.328 ( 0.189 -0.732 0.586) 0.957 4.344 ( -0.716 0.222 2.162) 2.289 4.382 ( 1.580 -1.226 -1.343) 2.409 6.385 ( -2.324 -0.502 -1.164) 2.647 6.443 ( 1.016 0.700 1.992) 2.343 7.265 ( -3.908 -3.573 8.153) 9.722 7.375 ( -1.199 -2.157 2.235) 3.329 7.519 ( -0.745 -7.099 -4.837) 8.622 7.632 ( 4.659 -12.027 2.990) 13.240 7.797 ( 1.199 -11.090 -6.910) 13.121 7.864 ( 2.705 -13.246 -1.537) 13.606 8.051 ( -8.759 -3.678 6.810) 11.689 8.149 ( -4.041 -9.305 -3.656) 10.783 8.297 ( 3.942 -5.698 3.223) 7.642 8.416 ( 7.526 -4.001 -3.064) 9.058 8.459 ( -1.932 -3.306 -5.731) 6.892 8.542 ( 1.659 -8.831 -0.914) 9.031 8.561 ( -1.237 -8.844 1.528) 9.060 8.724 ( 2.832 -7.726 3.545) 8.960 8.765 ( 2.215 -5.860 -4.990) 8.009 8.816 ( 3.957 -3.976 2.406) 6.104 9.058 ( -0.437 -2.032 1.498) 2.563 9.067 ( -0.627 -7.471 -0.394) 7.507 9.178 ( 1.407 -6.780 0.457) 6.939 9.267 ( 6.888 0.013 -2.173) 7.222 9.323 ( -3.262 9.124 -3.552) 10.320 9.421 ( 1.166 10.620 -0.459) 10.693 9.569 ( -2.679 3.037 -0.010) 4.050 9.685 ( 2.090 3.363 0.905) 4.062 9.848 ( -2.700 3.626 -1.580) 4.789 9.985 ( 1.178 9.076 1.542) 9.281 10.023 ( -5.224 -1.511 -4.048) 6.780 10.205 ( 4.987 1.877 6.572) 8.461 10.295 ( -1.022 4.458 1.204) 4.729 10.375 ( 1.625 -3.315 -3.066) 4.799 10.445 ( -6.201 9.541 2.671) 11.689 10.703 ( 0.053 4.729 -6.216) 7.811 10.715 ( 5.173 8.370 6.652) 11.877 10.798 ( 1.746 2.878 0.619) 3.422 10.959 ( -2.544 3.371 2.674) 4.998 11.023 ( -2.509 0.273 -3.927) 4.668 11.053 ( -2.382 0.643 -3.036) 3.913 11.230 ( 2.069 3.213 1.278) 4.030 11.492 ( -5.808 -2.459 7.125) 9.515 11.579 ( -3.501 0.797 0.675) 3.654 11.804 ( 4.440 -0.755 -1.166) 4.652 11.859 ( 3.864 -1.507 -4.759) 6.312 11.970 ( -5.608 0.848 -0.553) 5.699 12.012 ( -2.936 4.991 6.475) 8.687 12.204 ( 1.908 3.877 -6.520) 7.822 12.231 ( 3.365 0.818 1.182) 3.659 12.640 ( -0.840 5.191 -1.009) 5.355 12.674 ( 1.398 5.118 0.909) 5.383 ======================= Grid point 210 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.173 ( -7.121 -9.612 -2.443) 12.209 2.241 ( -5.761 -10.359 0.224) 11.855 2.384 ( 0.864 3.688 -1.096) 3.944 2.461 ( -0.497 2.598 -1.930) 3.275 2.500 ( -1.477 2.717 1.775) 3.566 2.650 ( -0.467 4.787 -2.357) 5.356 2.691 ( 1.502 6.673 1.632) 7.032 2.808 ( 4.682 -0.432 1.385) 4.902 2.890 ( 0.932 1.401 2.433) 2.959 2.971 ( 7.116 -0.447 -2.245) 7.475 3.138 ( 0.016 -5.814 5.486) 7.994 3.319 ( -1.581 -2.644 5.986) 6.732 3.350 ( -1.347 0.973 -7.489) 7.671 3.474 ( 3.302 -0.786 -0.024) 3.395 3.520 ( -4.460 6.365 -3.638) 8.581 3.686 ( -1.124 3.053 -1.872) 3.754 3.993 ( -2.093 -4.174 2.424) 5.261 4.157 ( 1.130 2.688 1.245) 3.170 4.290 ( -0.330 3.077 -0.208) 3.102 4.335 ( -0.145 -0.678 0.624) 0.933 4.361 ( 0.072 -1.339 1.025) 1.688 4.414 ( 0.825 -1.050 -0.922) 1.623 6.376 ( -1.335 -0.236 -0.708) 1.529 6.439 ( 0.657 0.917 1.992) 2.290 7.322 ( -0.814 -1.666 4.068) 4.471 7.391 ( -2.287 0.345 5.783) 6.228 7.559 ( -4.279 -1.477 -2.306) 5.080 7.845 ( 3.657 -2.755 7.519) 8.803 7.955 ( 4.776 -7.729 -9.351) 13.038 8.011 ( 0.809 -5.172 -5.247) 7.412 8.075 ( -3.784 -0.175 1.226) 3.981 8.323 ( -1.379 -0.947 -6.802) 7.005 8.402 ( 1.339 -8.542 -2.684) 9.053 8.525 ( 2.223 -11.433 1.707) 11.772 8.571 ( 2.757 -5.992 1.725) 6.818 8.692 ( -3.052 -3.561 4.744) 6.670 8.739 ( 1.858 -5.539 1.639) 6.068 8.790 ( 0.350 3.226 2.007) 3.816 8.871 ( 3.379 0.918 -1.990) 4.028 8.894 ( -1.638 -5.443 -1.945) 6.007 9.009 ( 0.890 2.726 -0.404) 2.896 9.082 ( 0.828 7.740 -1.265) 7.886 9.216 ( -0.304 -2.210 2.199) 3.132 9.253 ( -5.192 -3.500 -2.681) 6.811 9.290 ( 2.907 5.583 -0.941) 6.364 9.351 ( 3.439 -5.299 -0.308) 6.325 9.513 ( -0.478 -0.325 -2.868) 2.926 9.699 ( -1.766 -1.674 1.385) 2.800 9.752 ( 2.839 3.741 -1.616) 4.967 9.803 ( 5.093 10.676 1.582) 11.934 9.980 ( -5.848 1.139 -1.068) 6.053 10.151 ( -7.712 -1.000 -3.798) 8.655 10.214 ( 0.627 5.663 0.410) 5.712 10.328 ( -0.458 1.510 5.176) 5.411 10.464 ( 4.019 -3.755 -2.675) 6.116 10.582 ( -2.163 4.059 -4.510) 6.442 10.653 ( 6.568 6.961 8.195) 12.600 10.766 ( -0.663 0.946 1.115) 1.605 10.943 ( 3.058 -0.414 1.884) 3.615 10.997 ( -4.217 -0.689 0.124) 4.274 11.035 ( -1.175 -1.188 -4.130) 4.456 11.201 ( 1.183 1.554 0.217) 1.965 11.481 ( -3.064 1.792 1.685) 3.929 11.560 ( -5.831 -1.606 7.924) 9.968 11.821 ( 3.028 1.206 -2.753) 4.266 11.884 ( -0.363 2.132 2.524) 3.324 11.948 ( -0.109 -0.789 0.107) 0.803 11.959 ( -0.169 -2.166 -1.946) 2.917 12.131 ( 0.902 2.464 -5.818) 6.382 12.234 ( 1.048 1.143 0.377) 1.596 12.568 ( -0.187 1.290 -0.330) 1.344 12.613 ( 1.060 2.543 0.703) 2.843 ======================= Grid point 216 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.786 ( -20.898 0.000 3.457) 21.182 1.891 ( -22.644 0.000 3.927) 22.982 2.154 ( 14.917 -0.000 -6.024) 16.088 2.289 ( 19.162 -0.000 -2.121) 19.279 2.642 ( -6.412 0.000 -3.782) 7.444 2.658 ( -9.501 0.000 2.600) 9.851 2.752 ( 0.524 -0.000 0.516) 0.735 2.773 ( -3.632 0.000 2.342) 4.321 2.866 ( -3.639 0.000 2.378) 4.347 2.974 ( 9.261 -0.000 0.620) 9.282 3.069 ( -3.102 0.000 1.601) 3.490 3.169 ( 3.723 -0.000 -4.936) 6.182 3.833 ( -1.141 0.000 -4.518) 4.660 3.834 ( 3.785 -0.000 7.706) 8.586 3.907 ( -1.930 0.000 0.459) 1.984 3.962 ( 2.915 -0.000 -1.592) 3.321 4.021 ( -0.588 0.000 -0.749) 0.953 4.042 ( 2.072 -0.000 -1.454) 2.531 4.181 ( -0.699 0.000 -0.867) 1.114 4.184 ( -0.245 0.000 0.178) 0.303 4.280 ( -3.716 0.000 -4.732) 6.017 4.284 ( 3.444 -0.000 6.138) 7.038 6.400 ( 0.645 -0.000 2.362) 2.449 6.415 ( -1.054 0.000 -2.698) 2.896 6.987 ( -0.982 0.000 2.038) 2.262 7.011 ( -0.747 0.000 -2.063) 2.194 7.129 ( -8.013 0.000 11.843) 14.299 7.341 ( 4.692 -0.000 0.647) 4.737 7.365 ( -2.010 0.000 -2.422) 3.147 7.423 ( 6.007 -0.000 -7.485) 9.597 7.947 ( -1.888 0.000 1.211) 2.243 7.951 ( 0.767 -0.000 0.886) 1.172 8.039 ( -1.934 0.000 6.219) 6.512 8.069 ( -6.254 0.000 -6.347) 8.910 8.245 ( 3.456 -0.000 5.842) 6.788 8.261 ( 1.471 -0.000 -1.082) 1.826 8.417 ( 1.047 -0.000 -1.876) 2.148 8.495 ( 4.114 -0.000 -1.250) 4.299 8.615 ( -7.402 0.000 -2.007) 7.670 8.748 ( 12.160 -0.000 5.300) 13.265 8.749 ( -3.182 0.000 -4.795) 5.755 8.869 ( 6.115 -0.000 -6.187) 8.699 8.884 ( -2.829 0.000 4.819) 5.588 9.029 ( 6.987 -0.000 -6.729) 9.701 9.682 ( -1.535 0.000 5.347) 5.563 9.757 ( -16.799 0.000 -8.243) 18.713 9.794 ( 6.788 -0.000 -1.931) 7.057 9.836 ( -4.866 0.000 3.612) 6.060 9.869 ( -0.024 0.000 7.491) 7.491 9.925 ( 10.288 -0.000 3.427) 10.844 10.021 ( 0.855 -0.000 4.071) 4.160 10.114 ( 3.501 -0.000 -4.466) 5.675 10.425 ( -3.222 0.000 -3.325) 4.630 10.434 ( 2.057 -0.000 2.244) 3.044 10.772 ( -1.196 0.000 6.295) 6.407 10.855 ( 0.495 -0.000 -5.946) 5.967 11.052 ( -3.403 0.000 -4.286) 5.473 11.068 ( 4.014 -0.000 4.951) 6.374 11.142 ( -1.259 0.000 -2.491) 2.791 11.144 ( -0.261 0.000 -1.797) 1.816 11.249 ( -7.811 0.000 -2.107) 8.090 11.330 ( 0.536 -0.000 1.974) 2.045 11.388 ( -2.958 0.000 4.911) 5.733 11.528 ( 5.675 -0.000 -4.878) 7.483 11.770 ( -0.618 0.000 2.119) 2.208 11.843 ( 3.785 -0.000 -3.589) 5.216 12.057 ( -7.654 0.000 3.031) 8.232 12.221 ( 6.472 -0.000 -5.066) 8.219 12.259 ( -5.052 0.000 8.585) 9.962 12.410 ( 4.282 -0.000 -5.074) 6.639 12.849 ( -0.423 0.000 1.357) 1.421 12.866 ( -0.229 0.000 -1.458) 1.476 ======================= Grid point 217 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.685 ( -20.836 -6.934 4.149) 22.348 1.759 ( -22.983 -5.292 2.183) 23.685 2.254 ( 9.255 -2.242 -7.436) 12.082 2.447 ( 16.489 -1.569 -1.171) 16.605 2.560 ( -17.125 -4.954 2.932) 18.067 2.588 ( -9.408 -3.122 -7.041) 12.158 2.692 ( -3.427 3.666 3.783) 6.285 2.862 ( 7.793 -1.841 0.488) 8.022 2.867 ( -3.442 -1.585 5.297) 6.513 3.034 ( -1.463 1.444 3.757) 4.283 3.060 ( 6.751 0.340 1.597) 6.945 3.151 ( 3.763 2.635 -5.384) 7.077 3.806 ( 0.688 4.943 2.632) 5.642 3.811 ( -0.246 2.221 -1.071) 2.478 3.844 ( -0.955 6.577 0.143) 6.648 3.919 ( 0.984 7.517 -0.650) 7.609 3.969 ( 0.654 2.518 -1.664) 3.088 4.068 ( 3.886 -2.671 -1.891) 5.081 4.199 ( -1.540 -3.322 -2.941) 4.697 4.234 ( -0.580 -3.396 0.489) 3.479 4.287 ( -1.116 -4.099 -0.434) 4.270 4.338 ( 1.750 -0.671 3.741) 4.185 6.386 ( -1.788 0.570 -1.356) 2.315 6.430 ( 0.971 -1.108 1.376) 2.016 7.066 ( -1.959 -7.946 2.294) 8.499 7.082 ( -1.275 -8.734 0.060) 8.827 7.146 ( -6.106 -3.678 9.900) 12.199 7.396 ( 2.995 -4.088 -1.338) 5.241 7.409 ( 2.681 -4.090 -1.102) 5.013 7.479 ( 3.974 -4.905 -8.150) 10.309 7.940 ( -9.151 -2.874 -7.136) 11.955 7.969 ( -5.392 -2.202 6.760) 8.923 8.082 ( -1.045 -6.162 0.892) 6.313 8.103 ( 3.576 -7.085 1.798) 8.137 8.285 ( 4.851 0.059 4.623) 6.701 8.338 ( 2.378 -2.222 0.591) 3.308 8.448 ( 2.517 -2.852 0.728) 3.873 8.503 ( 0.086 -2.715 -6.426) 6.976 8.643 ( 6.103 -1.650 4.346) 7.672 8.716 ( -1.810 -1.093 -4.792) 5.237 8.858 ( 2.860 -3.239 -1.371) 4.533 8.933 ( 5.912 -1.917 4.435) 7.635 8.944 ( 4.764 -4.050 -1.472) 6.424 9.090 ( 6.151 -3.978 -5.872) 9.389 9.540 ( -14.593 1.194 -11.141) 18.399 9.697 ( -1.297 3.473 9.010) 9.743 9.774 ( 1.031 4.504 -0.938) 4.715 9.808 ( -1.102 0.570 0.568) 1.365 9.880 ( 2.329 1.569 -3.281) 4.319 10.032 ( 2.896 0.023 2.598) 3.891 10.052 ( 1.047 -1.452 9.154) 9.327 10.168 ( 7.010 -2.736 -2.530) 7.939 10.358 ( -3.633 2.320 -1.302) 4.503 10.446 ( 1.050 1.043 1.000) 1.786 10.753 ( -3.730 3.424 5.023) 7.132 10.819 ( 0.863 2.185 -4.647) 5.207 10.936 ( -2.053 6.578 -2.125) 7.211 11.040 ( -1.634 4.169 -0.012) 4.478 11.095 ( -3.303 2.722 -2.616) 5.016 11.123 ( 0.926 2.373 -0.368) 2.574 11.160 ( -2.277 3.728 1.391) 4.585 11.316 ( -2.790 0.841 1.190) 3.147 11.408 ( -2.337 -1.473 5.721) 6.353 11.564 ( 4.628 -0.689 -4.425) 6.440 11.778 ( 1.282 0.200 1.628) 2.082 11.856 ( 3.332 0.112 -3.962) 5.178 11.995 ( -7.979 0.643 2.511) 8.389 12.205 ( -1.707 3.659 3.169) 5.133 12.251 ( 1.102 0.481 0.036) 1.203 12.391 ( 4.881 4.136 -4.095) 7.597 12.823 ( -0.782 3.027 -0.856) 3.241 12.835 ( 0.181 2.304 0.647) 2.400 ======================= Grid point 218 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.733 ( -16.367 -12.935 4.246) 21.289 1.737 ( -18.465 -10.776 1.596) 21.439 2.311 ( 1.145 -3.194 -9.459) 10.049 2.500 ( -9.787 0.130 -8.412) 12.906 2.596 ( -0.425 -3.027 4.922) 5.794 2.607 ( 8.119 -3.287 2.411) 9.085 2.695 ( -7.335 -9.206 3.410) 12.255 2.868 ( -2.721 -0.389 5.947) 6.552 2.947 ( 6.649 0.404 -4.335) 7.947 3.016 ( 0.767 4.646 -0.385) 4.724 3.048 ( 0.620 1.959 4.162) 4.642 3.149 ( 6.194 0.839 0.079) 6.251 3.648 ( -2.988 9.347 2.596) 10.150 3.709 ( -0.426 9.329 2.610) 9.697 3.742 ( 0.645 6.118 -2.288) 6.563 3.799 ( 1.794 3.269 -4.965) 6.210 3.925 ( 0.237 1.519 -0.393) 1.587 4.124 ( -0.207 -3.264 -4.303) 5.405 4.267 ( 1.264 -3.610 -0.854) 3.919 4.290 ( -0.427 -2.612 1.618) 3.103 4.348 ( -0.808 -1.485 3.493) 3.881 4.369 ( 1.561 -0.918 -0.427) 1.861 6.354 ( -2.301 0.101 -1.226) 2.609 6.462 ( 0.970 -0.498 1.622) 1.955 7.186 ( -5.327 -5.144 9.934) 12.391 7.257 ( -1.599 -9.058 2.426) 9.512 7.307 ( -1.141 -13.315 -1.498) 13.448 7.511 ( 8.180 -4.969 -2.075) 9.794 7.569 ( 0.997 -10.890 -4.870) 11.971 7.618 ( 1.770 -11.577 -3.582) 12.247 7.900 ( -10.564 -5.493 -5.469) 13.102 8.000 ( -4.905 -3.231 8.821) 10.597 8.251 ( 1.547 -8.819 1.503) 9.079 8.307 ( 2.177 -9.660 0.906) 9.944 8.371 ( 0.650 -2.480 -1.332) 2.889 8.376 ( 4.966 -4.009 4.540) 7.832 8.539 ( 5.718 -1.662 -9.590) 11.289 8.599 ( 3.529 -7.702 1.956) 8.695 8.720 ( 1.276 -2.885 -5.043) 5.949 8.759 ( 3.568 -2.670 6.685) 8.034 8.942 ( 2.595 -5.424 -5.203) 7.951 9.033 ( 3.129 -2.847 2.509) 4.919 9.072 ( 2.645 -5.642 -0.439) 6.247 9.224 ( 5.248 -5.977 -3.009) 8.504 9.384 ( -7.067 0.831 -6.350) 9.538 9.598 ( -0.641 8.893 2.741) 9.328 9.660 ( -1.232 7.570 0.834) 7.715 9.783 ( 0.179 3.003 3.906) 4.931 9.851 ( 3.198 0.523 -6.374) 7.150 9.987 ( -4.516 3.769 -1.694) 6.121 10.105 ( 0.321 2.241 3.848) 4.464 10.281 ( 6.361 -3.503 -2.671) 7.738 10.308 ( -2.429 0.272 5.321) 5.856 10.413 ( 0.995 4.260 2.261) 4.924 10.602 ( -5.519 9.480 4.459) 11.841 10.733 ( -1.202 4.104 -5.995) 7.363 10.833 ( -1.383 3.281 1.568) 3.891 10.944 ( 1.226 4.999 0.130) 5.149 10.993 ( -4.635 2.001 -3.755) 6.292 11.054 ( 0.421 4.587 0.618) 4.647 11.080 ( 1.582 5.998 2.330) 6.626 11.270 ( -3.344 1.311 -0.570) 3.637 11.443 ( -2.875 -1.722 6.868) 7.642 11.575 ( 1.142 0.789 -2.684) 3.022 11.805 ( 2.618 -1.194 -0.140) 2.881 11.860 ( 2.325 0.132 -4.530) 5.094 11.931 ( -6.059 0.606 2.456) 6.566 12.113 ( -3.777 5.350 6.452) 9.193 12.239 ( 1.454 1.417 -5.134) 5.521 12.324 ( 4.044 4.798 -1.486) 6.448 12.731 ( -0.788 5.245 -0.889) 5.378 12.783 ( 1.255 4.407 0.571) 4.618 ======================= Grid point 219 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.863 ( -11.032 -14.534 2.917) 18.478 1.913 ( -10.579 -16.252 3.977) 19.796 2.333 ( -3.188 -4.136 -6.786) 8.563 2.405 ( -6.213 -1.842 -7.081) 9.599 2.616 ( 4.908 5.384 2.882) 7.834 2.711 ( 1.864 -1.230 3.597) 4.234 2.822 ( 1.245 4.665 -3.321) 5.860 2.893 ( 1.686 0.898 -0.391) 1.950 2.920 ( 1.248 -5.446 -0.617) 5.621 3.003 ( 0.435 -5.051 3.027) 5.904 3.028 ( 1.429 3.675 6.604) 7.691 3.188 ( -1.658 -2.991 -1.584) 3.768 3.468 ( -1.707 8.964 -0.001) 9.125 3.539 ( -2.423 6.716 2.864) 7.693 3.616 ( 0.584 6.940 -2.638) 7.447 3.731 ( 1.012 3.598 -3.565) 5.165 3.941 ( 1.951 -1.880 2.757) 3.866 4.162 ( -0.023 -2.683 -4.668) 5.384 4.293 ( -1.685 -0.260 0.370) 1.744 4.344 ( 0.846 -1.263 0.199) 1.533 4.354 ( -0.059 0.428 2.402) 2.440 4.401 ( 1.159 -0.876 -0.022) 1.453 6.341 ( -1.725 -1.114 -0.819) 2.210 6.472 ( 0.551 0.814 1.414) 1.722 7.278 ( -3.557 -4.222 8.225) 9.906 7.363 ( -2.296 -3.223 3.454) 5.253 7.469 ( -1.464 -5.127 -3.655) 6.464 7.739 ( 4.364 -11.880 3.079) 13.025 7.764 ( 3.862 -12.233 -9.319) 15.856 7.868 ( 0.379 -10.244 -4.060) 11.026 7.957 ( -5.295 -10.622 3.065) 12.259 8.093 ( -2.719 -7.074 4.252) 8.690 8.362 ( -0.562 -5.054 0.219) 5.090 8.408 ( 2.803 -0.443 -8.648) 9.102 8.513 ( 4.944 -7.464 1.190) 9.031 8.569 ( 2.487 -9.298 1.896) 9.810 8.609 ( 3.461 -7.103 1.473) 8.037 8.725 ( -2.101 -4.813 -3.296) 6.200 8.828 ( -0.148 -6.502 -1.384) 6.649 8.852 ( 5.378 -2.521 3.973) 7.146 9.064 ( 3.381 -6.392 -4.266) 8.396 9.094 ( 1.926 0.270 0.811) 2.107 9.147 ( -3.986 -3.494 -1.785) 5.593 9.288 ( 1.518 5.877 2.208) 6.459 9.349 ( 3.894 1.348 -2.102) 4.626 9.436 ( 2.458 8.079 -1.013) 8.505 9.519 ( -2.411 2.208 0.503) 3.308 9.743 ( 1.080 4.724 6.815) 8.362 9.819 ( -4.318 5.104 -2.162) 7.026 9.867 ( -1.578 -2.016 -6.555) 7.037 10.013 ( -2.349 5.849 1.433) 6.464 10.210 ( -1.153 9.182 -3.233) 9.802 10.362 ( 2.463 4.810 2.770) 6.072 10.385 ( -0.396 2.093 5.924) 6.295 10.437 ( 1.195 1.498 0.996) 2.159 10.624 ( -1.647 3.362 -5.062) 6.296 10.770 ( -3.433 2.176 1.137) 4.221 10.869 ( 5.672 5.771 2.159) 8.375 10.935 ( -5.760 -0.497 -1.800) 6.055 10.994 ( -2.610 1.353 -2.504) 3.862 11.011 ( 4.548 3.548 4.613) 7.387 11.220 ( -1.637 0.750 -1.721) 2.491 11.476 ( -1.894 -1.071 3.969) 4.526 11.541 ( -2.765 1.267 2.531) 3.957 11.843 ( 0.636 0.604 -3.014) 3.139 11.867 ( 2.148 -3.088 -3.250) 4.971 11.904 ( -1.909 -0.390 2.405) 3.095 12.014 ( -3.443 4.708 6.691) 8.876 12.175 ( 1.680 3.288 -7.297) 8.178 12.283 ( 2.227 2.706 -0.322) 3.519 12.627 ( -0.203 4.741 0.093) 4.747 12.702 ( 1.333 5.208 -0.069) 5.376 ======================= Grid point 226 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.443 ( -24.083 0.000 7.387) 25.191 1.515 ( -25.560 0.000 4.776) 26.002 2.242 ( -1.532 0.000 -8.306) 8.446 2.301 ( -26.237 0.000 7.483) 27.283 2.449 ( -7.131 0.000 -14.819) 16.446 2.550 ( 12.960 -0.000 -1.957) 13.107 2.759 ( -3.753 0.000 11.438) 12.038 2.856 ( 5.081 -0.000 0.761) 5.138 2.920 ( 6.747 -0.000 1.220) 6.857 3.050 ( -1.354 0.000 4.914) 5.097 3.134 ( 7.250 -0.000 1.070) 7.329 3.180 ( 4.454 -0.000 -6.522) 7.897 3.816 ( 3.455 -0.000 -5.278) 6.308 3.873 ( -6.053 0.000 1.947) 6.359 3.905 ( 0.900 -0.000 1.397) 1.661 4.013 ( -0.247 0.000 0.108) 0.269 4.014 ( 2.618 -0.000 1.257) 2.904 4.079 ( 3.670 -0.000 -1.256) 3.879 4.159 ( -2.261 0.000 0.347) 2.288 4.170 ( -0.368 0.000 -2.112) 2.143 4.200 ( 1.290 -0.000 -2.756) 3.043 4.362 ( 0.621 -0.000 3.230) 3.289 6.376 ( -1.063 0.000 -1.829) 2.116 6.426 ( 0.236 -0.000 1.262) 1.284 6.986 ( -0.307 0.000 -0.776) 0.834 6.988 ( -1.379 0.000 3.500) 3.762 7.103 ( -7.429 0.000 12.157) 14.247 7.311 ( -1.320 0.000 -2.803) 3.098 7.419 ( 0.886 -0.000 -3.562) 3.671 7.460 ( 9.830 -0.000 -6.142) 11.591 7.805 ( -9.773 0.000 -6.820) 11.918 7.942 ( -3.170 0.000 8.342) 8.924 8.006 ( -1.305 0.000 -1.402) 1.915 8.069 ( 3.695 -0.000 1.839) 4.127 8.332 ( 2.941 -0.000 -0.680) 3.019 8.370 ( 3.334 -0.000 6.515) 7.319 8.425 ( -0.402 0.000 -4.380) 4.398 8.468 ( 5.311 -0.000 0.489) 5.334 8.657 ( -4.330 0.000 -0.283) 4.339 8.741 ( 13.534 -0.000 2.094) 13.695 8.819 ( -0.013 0.000 -3.066) 3.066 8.928 ( 2.619 -0.000 -1.876) 3.222 9.028 ( 9.495 -0.000 4.426) 10.476 9.054 ( 3.131 -0.000 -8.677) 9.225 9.376 ( -13.074 0.000 -7.638) 15.141 9.779 ( 1.091 -0.000 11.371) 11.423 9.782 ( -3.739 0.000 2.196) 4.336 9.839 ( 7.127 -0.000 -9.787) 12.107 9.891 ( -0.577 0.000 -3.874) 3.917 10.068 ( 2.345 -0.000 0.718) 2.452 10.077 ( 0.485 -0.000 7.358) 7.374 10.195 ( 4.820 -0.000 3.121) 5.742 10.360 ( -0.980 0.000 -0.463) 1.084 10.430 ( -3.565 0.000 -3.024) 4.675 10.783 ( -4.383 0.000 7.051) 8.302 10.842 ( 2.606 -0.000 -3.323) 4.223 10.984 ( -0.727 0.000 -3.393) 3.470 11.007 ( -7.659 0.000 0.228) 7.662 11.085 ( -4.529 0.000 -1.439) 4.752 11.126 ( -0.148 0.000 -4.921) 4.923 11.242 ( 4.621 -0.000 5.143) 6.914 11.286 ( -6.158 0.000 0.663) 6.194 11.416 ( 0.274 -0.000 6.423) 6.429 11.586 ( 5.389 -0.000 -4.890) 7.277 11.799 ( 1.405 -0.000 1.316) 1.926 11.861 ( 1.625 -0.000 -4.206) 4.509 11.953 ( -6.691 0.000 4.485) 8.055 12.241 ( 2.697 -0.000 -6.576) 7.108 12.252 ( -5.023 0.000 9.152) 10.439 12.463 ( 5.861 -0.000 -4.916) 7.650 12.844 ( -0.932 0.000 -1.302) 1.601 12.850 ( -0.758 0.000 1.297) 1.502 ======================= Grid point 227 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.372 ( -21.983 -9.374 7.442) 25.030 1.406 ( -22.283 -8.643 8.227) 25.277 2.179 ( -17.226 -7.661 0.970) 18.878 2.247 ( -14.005 -8.086 -0.811) 16.192 2.336 ( -9.759 -1.990 -14.584) 17.660 2.642 ( 5.802 -0.895 2.788) 6.499 2.769 ( 6.485 1.600 3.524) 7.552 2.891 ( 2.498 1.701 3.380) 4.534 2.986 ( 6.297 -0.940 -1.193) 6.478 3.062 ( 0.665 1.350 4.657) 4.894 3.129 ( 1.963 2.910 -2.678) 4.415 3.223 ( 7.587 0.558 -0.952) 7.666 3.757 ( -7.154 4.813 1.772) 8.802 3.823 ( 3.520 2.029 -4.874) 6.345 3.872 ( 2.856 6.638 -0.348) 7.234 3.910 ( -1.261 7.298 0.634) 7.433 3.979 ( 1.394 2.643 -2.088) 3.645 4.057 ( -0.520 1.348 -2.847) 3.193 4.201 ( 2.160 -4.500 -0.299) 5.001 4.227 ( -0.510 -4.446 0.952) 4.576 4.294 ( 1.336 -4.691 1.243) 5.034 4.372 ( -0.359 -0.178 1.216) 1.281 6.346 ( -1.262 1.179 -1.253) 2.134 6.450 ( 0.280 -1.701 0.373) 1.764 7.056 ( -2.065 -6.858 3.519) 7.980 7.074 ( -1.025 -8.667 1.446) 8.847 7.136 ( -5.513 -4.553 10.675) 12.849 7.369 ( 0.555 -8.029 -4.172) 9.066 7.453 ( 1.432 -5.621 -7.738) 9.671 7.527 ( 8.330 -0.837 -2.364) 8.700 7.717 ( -9.045 -2.093 -5.080) 10.583 7.965 ( -3.201 -1.443 10.088) 10.681 8.076 ( 1.046 -7.597 -0.838) 7.714 8.184 ( 3.683 -7.140 1.168) 8.118 8.348 ( 1.881 -0.719 -0.987) 2.243 8.419 ( 2.785 0.492 4.117) 4.995 8.474 ( 5.387 -5.365 -4.572) 8.871 8.528 ( 0.298 -3.080 -1.062) 3.272 8.634 ( -3.249 -1.846 -2.985) 4.783 8.814 ( 3.192 -0.518 -2.048) 3.828 8.895 ( 10.583 -2.034 0.344) 10.782 8.965 ( 0.866 -3.919 -0.863) 4.105 9.047 ( 1.921 -1.546 -4.119) 4.801 9.145 ( 3.781 -4.440 -2.014) 6.169 9.304 ( -2.315 -1.354 1.156) 2.920 9.739 ( -3.855 2.519 1.154) 4.747 9.765 ( 1.836 6.513 1.384) 6.907 9.839 ( 2.394 2.085 0.025) 3.174 9.862 ( 2.834 0.172 -7.906) 8.400 10.046 ( -1.069 3.737 3.864) 5.481 10.146 ( 1.998 -0.913 5.203) 5.647 10.226 ( -2.167 -0.759 0.702) 2.401 10.337 ( -0.950 0.229 1.940) 2.173 10.415 ( -1.663 -2.276 -3.039) 4.145 10.723 ( -5.549 5.318 6.249) 9.906 10.806 ( 1.285 4.494 -2.686) 5.391 10.898 ( -2.134 4.819 0.466) 5.291 10.961 ( -3.969 1.340 -0.404) 4.209 11.016 ( -0.039 2.475 -2.396) 3.445 11.104 ( 0.647 1.837 -2.906) 3.498 11.222 ( -5.166 1.755 1.110) 5.567 11.260 ( 1.937 2.875 1.677) 3.852 11.442 ( -0.238 0.194 6.017) 6.025 11.598 ( 3.103 0.799 -4.548) 5.563 11.811 ( 1.047 0.005 0.077) 1.050 11.848 ( -0.430 -0.158 -4.128) 4.154 11.926 ( -2.941 0.897 6.345) 7.051 12.194 ( -2.621 3.784 3.966) 6.077 12.248 ( 0.004 0.494 -1.433) 1.515 12.434 ( 3.306 4.532 -4.556) 7.226 12.799 ( -0.920 3.026 -0.772) 3.256 12.846 ( 0.438 1.124 0.342) 1.254 ======================= Grid point 228 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.484 ( -14.839 -16.480 7.757) 23.494 1.534 ( -14.189 -15.796 10.376) 23.632 2.176 ( -3.590 -4.856 -13.082) 14.409 2.245 ( -9.063 -3.608 -12.406) 15.782 2.434 ( -18.089 -22.468 11.521) 31.060 2.710 ( 1.443 -1.691 5.419) 5.857 2.819 ( 8.753 3.900 0.305) 9.588 2.902 ( 1.220 -0.970 4.172) 4.454 2.979 ( 1.976 5.407 -3.560) 6.768 3.045 ( 1.591 0.569 0.695) 1.827 3.094 ( 3.791 3.422 -1.365) 5.286 3.230 ( 3.014 3.734 0.363) 4.812 3.603 ( -5.613 6.596 4.208) 9.629 3.677 ( -2.420 10.003 -2.211) 10.526 3.754 ( 2.527 7.112 -2.366) 7.910 3.820 ( 4.565 5.086 -4.213) 8.029 3.977 ( 3.964 1.029 2.763) 4.940 4.046 ( -2.087 -4.448 -6.376) 8.050 4.278 ( -1.744 -0.928 0.878) 2.161 4.295 ( 1.046 -3.691 -0.279) 3.847 4.361 ( -0.972 -1.481 3.138) 3.603 4.392 ( 1.731 -1.397 -0.780) 2.357 6.316 ( -0.904 0.250 -0.868) 1.278 6.479 ( -0.174 -0.786 0.203) 0.831 7.176 ( -5.460 -6.180 8.722) 12.004 7.259 ( -2.800 -8.506 2.288) 9.242 7.277 ( -1.566 -10.944 1.969) 11.230 7.533 ( 2.339 -10.877 -8.695) 14.120 7.619 ( 6.944 -9.881 -6.538) 13.733 7.631 ( 1.869 -7.927 0.803) 8.184 7.727 ( -4.887 -8.458 -0.454) 9.779 8.033 ( -0.874 -2.773 10.025) 10.438 8.243 ( -1.942 -7.672 -0.843) 7.959 8.318 ( -0.448 -5.226 -1.125) 5.364 8.433 ( 4.302 -3.765 -0.661) 5.755 8.450 ( 1.332 -6.664 -1.122) 6.888 8.571 ( 6.398 -1.898 -6.732) 9.479 8.609 ( -2.058 -4.725 -1.386) 5.337 8.687 ( 0.093 -7.411 1.609) 7.584 8.851 ( 2.124 -2.487 -3.013) 4.447 8.994 ( 4.424 -3.238 -4.328) 6.985 9.081 ( 2.382 -2.253 -1.557) 3.630 9.088 ( 3.584 -3.107 4.398) 6.468 9.254 ( 1.291 -6.272 -2.677) 6.940 9.386 ( 5.847 -2.789 5.989) 8.822 9.612 ( -2.138 8.086 -1.266) 8.459 9.635 ( 1.237 8.302 0.068) 8.394 9.788 ( -2.742 3.312 -1.535) 4.565 9.853 ( 0.986 0.742 -2.544) 2.827 9.946 ( -0.491 7.612 7.236) 10.514 10.069 ( -6.978 5.545 -0.523) 8.928 10.263 ( 1.440 -1.071 -3.162) 3.636 10.372 ( -2.959 -3.961 1.493) 5.165 10.442 ( 3.113 0.112 1.479) 3.449 10.564 ( -4.487 8.505 6.284) 11.487 10.695 ( 2.245 7.038 -2.231) 7.717 10.810 ( -2.355 3.286 1.798) 4.425 10.887 ( -4.209 1.951 -2.613) 5.325 10.972 ( 4.448 3.139 -4.123) 6.828 11.036 ( -1.852 4.370 0.766) 4.807 11.148 ( -2.136 3.100 3.076) 4.862 11.211 ( 0.621 2.758 -0.929) 2.975 11.462 ( -0.849 -0.757 3.841) 4.006 11.563 ( -0.925 2.228 -2.645) 3.579 11.824 ( 0.171 -1.093 -1.590) 1.937 11.829 ( -0.716 -0.313 -3.755) 3.836 11.925 ( 0.326 0.948 6.934) 7.006 12.105 ( -3.583 5.121 6.843) 9.268 12.211 ( 1.413 2.498 -6.112) 6.752 12.356 ( 1.425 3.561 -2.338) 4.491 12.718 ( -0.321 4.718 0.204) 4.734 12.804 ( 1.319 4.178 -0.911) 4.475 ======================= Grid point 236 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.139 ( -22.296 0.000 15.546) 27.180 1.145 ( -24.808 0.000 10.988) 27.132 1.867 ( -33.446 0.000 23.347) 40.788 2.103 ( -5.264 0.000 -16.836) 17.640 2.164 ( -9.555 0.000 -18.080) 20.450 2.689 ( 2.257 -0.000 6.437) 6.821 2.826 ( 5.664 -0.000 -4.065) 6.971 2.958 ( 2.746 -0.000 2.290) 3.576 3.029 ( 8.894 -0.000 -2.169) 9.155 3.118 ( 2.070 -0.000 6.802) 7.110 3.146 ( -0.100 0.000 -2.983) 2.984 3.295 ( 8.941 -0.000 -2.469) 9.276 3.725 ( -9.318 0.000 -0.396) 9.326 3.843 ( 4.690 -0.000 -4.470) 6.479 3.945 ( 2.122 -0.000 -0.327) 2.147 3.997 ( -2.800 0.000 1.554) 3.202 4.040 ( 0.037 -0.000 -1.344) 1.345 4.111 ( -0.243 0.000 -1.353) 1.375 4.142 ( 2.374 -0.000 -1.365) 2.739 4.151 ( 1.095 -0.000 1.975) 2.258 4.269 ( 4.184 -0.000 1.086) 4.323 4.359 ( -2.636 0.000 0.472) 2.678 6.353 ( -0.148 0.000 -0.966) 0.977 6.425 ( -0.283 0.000 -1.019) 1.057 6.985 ( 0.331 -0.000 -0.518) 0.615 6.995 ( -2.810 0.000 5.726) 6.378 7.074 ( -7.047 0.000 9.185) 11.577 7.288 ( 0.426 -0.000 -0.336) 0.543 7.366 ( 0.186 -0.000 -8.908) 8.910 7.578 ( 7.612 -0.000 -5.171) 9.202 7.622 ( -5.802 0.000 -2.909) 6.490 7.966 ( -0.110 0.000 5.444) 5.445 8.032 ( 2.179 -0.000 5.453) 5.872 8.141 ( 3.201 -0.000 1.336) 3.469 8.354 ( 0.704 -0.000 -2.256) 2.363 8.433 ( -6.883 0.000 -7.396) 10.103 8.442 ( 6.970 -0.000 -1.499) 7.130 8.486 ( 1.432 -0.000 6.191) 6.355 8.584 ( -0.443 0.000 -4.919) 4.939 8.792 ( 0.425 -0.000 -5.113) 5.131 8.918 ( 2.865 -0.000 -2.819) 4.020 8.989 ( -0.028 0.000 -3.411) 3.411 9.039 ( 13.069 -0.000 3.435) 13.513 9.104 ( -2.640 0.000 -3.417) 4.318 9.332 ( 5.706 -0.000 8.592) 10.314 9.723 ( -5.780 0.000 -0.464) 5.799 9.801 ( -1.200 0.000 -8.580) 8.663 9.876 ( 6.677 -0.000 -8.949) 11.165 9.913 ( 1.527 -0.000 12.749) 12.840 10.089 ( -1.165 0.000 -0.510) 1.272 10.161 ( 0.599 -0.000 6.821) 6.847 10.215 ( -5.563 0.000 2.064) 5.933 10.291 ( -2.890 0.000 -6.665) 7.265 10.392 ( 2.154 -0.000 4.316) 4.824 10.737 ( -6.007 0.000 3.865) 7.143 10.855 ( 1.618 -0.000 -2.560) 3.028 10.930 ( -4.012 0.000 -0.508) 4.044 10.977 ( 2.634 -0.000 2.142) 3.395 11.048 ( 0.820 -0.000 2.486) 2.617 11.114 ( 3.222 -0.000 -5.286) 6.191 11.172 ( -6.454 0.000 -0.760) 6.499 11.306 ( -0.558 0.000 0.398) 0.685 11.481 ( -0.223 0.000 6.978) 6.981 11.602 ( 1.841 -0.000 -7.279) 7.509 11.816 ( 0.046 -0.000 -0.457) 0.459 11.826 ( -0.386 0.000 -3.174) 3.197 11.955 ( -0.842 0.000 9.340) 9.377 12.240 ( 3.996 -0.000 -4.885) 6.311 12.244 ( -5.024 0.000 9.381) 10.642 12.481 ( 1.772 -0.000 -7.991) 8.185 12.818 ( -0.941 0.000 -0.716) 1.183 12.846 ( -0.910 0.000 0.954) 1.318 ======================= Grid point 237 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.115 ( -17.517 -12.065 15.342) 26.226 1.190 ( -16.148 -13.207 17.823) 27.438 1.893 ( -23.892 -17.221 23.501) 37.679 2.019 ( -5.770 -4.877 -16.545) 18.188 2.035 ( -9.071 -3.238 -17.838) 20.272 2.722 ( -0.223 -0.066 4.887) 4.892 2.864 ( 5.344 -2.113 -5.831) 8.186 2.969 ( 2.439 1.790 1.129) 3.229 3.077 ( 6.348 2.017 -1.524) 6.833 3.088 ( 0.568 4.091 -0.635) 4.179 3.168 ( 2.922 0.341 1.839) 3.469 3.320 ( 4.539 3.133 -2.300) 5.975 3.643 ( -6.602 2.136 3.695) 7.861 3.821 ( 0.191 6.847 -4.878) 8.409 3.889 ( 1.590 5.444 0.814) 5.729 3.934 ( 2.561 4.697 -2.479) 5.896 3.959 ( 0.059 0.732 -3.184) 3.268 4.063 ( 1.178 3.344 0.248) 3.554 4.215 ( 0.780 -4.262 -0.750) 4.397 4.245 ( 0.518 -3.490 2.005) 4.058 4.320 ( -1.310 -2.185 2.146) 3.331 4.363 ( 0.470 -2.461 -1.115) 2.742 6.329 ( 0.296 1.549 -0.585) 1.682 6.444 ( -0.434 -2.024 -1.385) 2.491 7.050 ( -3.089 -6.087 5.104) 8.524 7.057 ( -2.430 -7.213 1.494) 7.756 7.124 ( -5.494 -6.775 7.257) 11.347 7.343 ( 1.231 -6.274 -6.863) 9.380 7.421 ( 1.748 -8.616 -4.069) 9.688 7.596 ( -2.528 -2.136 0.438) 3.338 7.612 ( 4.546 -1.726 -5.001) 6.975 8.026 ( 0.356 -2.259 5.312) 5.783 8.114 ( 1.699 -4.778 4.380) 6.701 8.235 ( -0.070 -3.561 -0.954) 3.687 8.316 ( -4.520 -4.452 -2.467) 6.807 8.411 ( 4.105 -1.888 -1.867) 4.889 8.523 ( -2.126 -2.326 0.631) 3.214 8.562 ( 7.963 -3.279 -4.466) 9.701 8.605 ( 5.170 -3.480 0.925) 6.301 8.796 ( 1.641 -1.993 -5.871) 6.414 8.950 ( 0.994 -1.451 -4.507) 4.838 9.005 ( -1.272 -3.817 -0.122) 4.025 9.095 ( -1.795 -5.729 -7.444) 9.564 9.173 ( 8.397 -0.759 6.950) 10.927 9.445 ( 7.246 -1.153 10.839) 13.089 9.637 ( -7.228 1.835 -2.345) 7.818 9.741 ( -1.825 2.285 -4.689) 5.526 9.867 ( 4.376 3.694 -5.261) 7.777 9.897 ( -0.797 4.895 5.913) 7.718 10.049 ( -4.589 1.866 -0.900) 5.035 10.145 ( -1.445 5.444 6.702) 8.754 10.218 ( -0.756 -4.311 2.978) 5.294 10.270 ( -0.795 -1.272 -5.687) 5.882 10.447 ( 1.207 -1.549 1.629) 2.551 10.683 ( -2.819 4.107 5.757) 7.612 10.813 ( 0.085 4.713 -0.267) 4.721 10.847 ( -2.675 3.259 -0.010) 4.216 10.966 ( 3.595 5.152 1.401) 6.437 11.044 ( 4.059 2.018 -2.044) 4.973 11.094 ( -1.095 2.576 -3.513) 4.492 11.123 ( -3.937 0.382 1.254) 4.149 11.279 ( -1.248 1.593 -0.676) 2.133 11.478 ( -1.622 1.546 5.195) 5.657 11.567 ( -0.928 1.043 -7.177) 7.312 11.805 ( -0.967 0.411 -1.756) 2.046 11.816 ( 0.834 0.043 -2.336) 2.481 11.985 ( 0.085 0.875 9.940) 9.979 12.198 ( -2.808 4.197 7.920) 9.393 12.250 ( 3.553 1.980 -3.848) 5.599 12.404 ( -1.407 3.094 -5.747) 6.677 12.785 ( -0.345 2.495 0.114) 2.521 12.851 ( 0.471 0.262 -1.095) 1.220 ======================= Grid point 246 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 9.55e-07 9.55e-07 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.940 ( -14.262 0.000 23.117) 27.163 1.001 ( -13.518 0.000 24.976) 28.399 1.644 ( -21.886 0.000 37.986) 43.840 1.844 ( -8.125 0.000 -20.932) 22.454 1.849 ( -4.080 0.000 -21.818) 22.196 2.709 ( -0.030 0.000 -12.947) 12.947 2.855 ( 3.075 -0.000 -0.861) 3.193 2.995 ( 1.163 -0.000 0.572) 1.296 3.127 ( 0.067 -0.000 -0.877) 0.880 3.145 ( 3.500 -0.000 -0.641) 3.558 3.210 ( 3.877 -0.000 4.788) 6.161 3.380 ( 3.705 -0.000 -3.969) 5.429 3.642 ( -2.236 0.000 6.538) 6.910 3.878 ( 1.887 -0.000 -4.646) 5.014 3.944 ( -0.310 0.000 -0.600) 0.675 3.980 ( -0.068 0.000 1.558) 1.559 4.002 ( -0.805 0.000 -4.113) 4.191 4.091 ( -0.903 0.000 -1.176) 1.482 4.181 ( 2.644 -0.000 -0.937) 2.805 4.217 ( 3.391 -0.000 2.708) 4.340 4.292 ( -4.754 0.000 -0.545) 4.786 4.323 ( 0.990 -0.000 0.822) 1.287 6.354 ( 0.510 -0.000 -0.020) 0.510 6.409 ( 0.300 -0.000 -2.351) 2.370 6.972 ( -1.169 0.000 -0.519) 1.279 6.988 ( -4.202 0.000 6.324) 7.592 7.025 ( -4.932 0.000 5.188) 7.159 7.288 ( -0.041 0.000 -9.434) 9.434 7.317 ( 0.626 -0.000 4.284) 4.330 7.578 ( 0.832 -0.000 2.242) 2.392 7.587 ( 1.742 -0.000 -9.040) 9.206 7.997 ( -6.173 0.000 -2.706) 6.741 8.107 ( 3.755 -0.000 1.849) 4.186 8.191 ( 1.264 -0.000 0.825) 1.509 8.259 ( 0.253 -0.000 6.608) 6.613 8.429 ( 6.215 -0.000 -0.387) 6.227 8.483 ( -3.555 0.000 1.380) 3.813 8.583 ( 9.133 -0.000 -4.067) 9.998 8.639 ( 9.004 -0.000 1.366) 9.107 8.777 ( 3.957 -0.000 -4.588) 6.059 8.913 ( -3.336 0.000 -2.681) 4.279 8.939 ( -9.031 0.000 -1.092) 9.097 8.993 ( 7.175 -0.000 -6.084) 9.407 9.234 ( -2.261 0.000 4.860) 5.360 9.536 ( 4.874 -0.000 11.381) 12.381 9.581 ( -4.692 0.000 -2.640) 5.384 9.709 ( -4.684 0.000 -3.258) 5.706 9.928 ( -1.453 0.000 -8.989) 9.106 9.940 ( 0.647 -0.000 -1.502) 1.636 10.036 ( 1.372 -0.000 9.281) 9.382 10.162 ( -4.529 0.000 2.943) 5.401 10.228 ( 3.549 -0.000 2.239) 4.197 10.253 ( 1.431 -0.000 -3.165) 3.474 10.433 ( -2.409 0.000 0.450) 2.451 10.740 ( 3.449 -0.000 5.365) 6.378 10.862 ( 1.893 -0.000 -3.212) 3.728 10.870 ( -4.361 0.000 3.593) 5.650 11.052 ( -1.279 0.000 -4.921) 5.084 11.052 ( 3.440 -0.000 -1.991) 3.974 11.125 ( 2.304 -0.000 -2.460) 3.371 11.128 ( -0.498 0.000 6.853) 6.871 11.256 ( -3.162 0.000 -2.452) 4.002 11.498 ( -4.640 0.000 5.503) 7.198 11.533 ( 0.080 -0.000 -9.489) 9.489 11.805 ( 0.281 -0.000 -1.594) 1.619 11.814 ( 0.772 -0.000 -1.622) 1.796 12.032 ( -0.914 0.000 10.122) 10.163 12.254 ( -3.552 0.000 10.177) 10.779 12.314 ( 8.642 -0.000 -4.048) 9.543 12.383 ( -3.895 0.000 -8.142) 9.026 12.806 ( -0.067 0.000 0.038) 0.077 12.835 ( -1.010 0.000 0.379) 1.079 =================== 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 3/29160 10.0 6239.776 4747.149 5952.647 -0.000 404.744 -0.000 3/29160 20.0 1169.366 1188.725 1176.665 -0.000 16.232 -0.000 3/29160 30.0 488.153 511.108 501.064 -0.000 -7.594 -0.000 3/29160 40.0 278.735 296.133 291.321 -0.000 -8.963 -0.000 3/29160 50.0 172.326 184.590 181.696 -0.000 -6.619 -0.000 3/29160 60.0 109.631 118.092 115.843 -0.000 -4.389 -0.000 3/29160 70.0 72.615 78.563 76.696 -0.000 -2.939 -0.000 3/29160 80.0 50.611 54.964 53.408 -0.000 -2.067 -0.000 3/29160 90.0 37.114 40.447 39.139 -0.000 -1.534 -0.000 3/29160 100.0 28.472 31.134 30.016 -0.000 -1.193 -0.000 3/29160 110.0 22.689 24.890 23.916 -0.000 -0.963 -0.000 3/29160 120.0 18.656 20.529 19.666 -0.000 -0.801 -0.000 3/29160 130.0 15.738 17.367 16.592 -0.000 -0.682 -0.000 3/29160 140.0 13.558 15.002 14.297 -0.000 -0.593 -0.000 3/29160 150.0 11.883 13.181 12.534 -0.000 -0.524 -0.000 3/29160 160.0 10.565 11.746 11.147 -0.000 -0.469 -0.000 3/29160 170.0 9.505 10.590 10.032 -0.000 -0.424 -0.000 3/29160 180.0 8.638 9.642 9.120 -0.000 -0.387 -0.000 3/29160 190.0 7.917 8.853 8.361 -0.000 -0.357 -0.000 3/29160 200.0 7.309 8.186 7.721 -0.000 -0.330 -0.000 3/29160 210.0 6.790 7.615 7.175 -0.000 -0.308 -0.000 3/29160 220.0 6.341 7.122 6.703 -0.000 -0.289 -0.000 3/29160 230.0 5.951 6.691 6.292 -0.000 -0.271 -0.000 3/29160 240.0 5.607 6.312 5.930 -0.000 -0.256 -0.000 3/29160 250.0 5.303 5.976 5.609 -0.000 -0.243 -0.000 3/29160 260.0 5.031 5.675 5.324 -0.000 -0.231 -0.000 3/29160 270.0 4.787 5.405 5.067 -0.000 -0.220 -0.000 3/29160 280.0 4.567 5.161 4.835 -0.000 -0.210 -0.000 3/29160 290.0 4.368 4.939 4.624 -0.000 -0.202 -0.000 3/29160 300.0 4.186 4.736 4.433 -0.000 -0.193 -0.000 3/29160 310.0 4.019 4.551 4.257 -0.000 -0.186 -0.000 3/29160 320.0 3.866 4.380 4.095 -0.000 -0.179 -0.000 3/29160 330.0 3.724 4.222 3.946 -0.000 -0.173 -0.000 3/29160 340.0 3.593 4.075 3.808 -0.000 -0.167 -0.000 3/29160 350.0 3.472 3.940 3.680 -0.000 -0.161 -0.000 3/29160 360.0 3.358 3.813 3.560 -0.000 -0.156 -0.000 3/29160 370.0 3.253 3.694 3.448 -0.000 -0.151 -0.000 3/29160 380.0 3.154 3.584 3.344 -0.000 -0.147 -0.000 3/29160 390.0 3.061 3.479 3.246 -0.000 -0.143 -0.000 3/29160 400.0 2.974 3.381 3.154 -0.000 -0.139 -0.000 3/29160 410.0 2.892 3.289 3.067 -0.000 -0.135 -0.000 3/29160 420.0 2.814 3.202 2.985 -0.000 -0.131 -0.000 3/29160 430.0 2.741 3.119 2.908 -0.000 -0.128 -0.000 3/29160 440.0 2.671 3.041 2.834 -0.000 -0.125 -0.000 3/29160 450.0 2.605 2.967 2.765 -0.000 -0.122 -0.000 3/29160 460.0 2.543 2.897 2.698 -0.000 -0.119 -0.000 3/29160 470.0 2.483 2.829 2.635 -0.000 -0.116 -0.000 3/29160 480.0 2.427 2.766 2.576 -0.000 -0.114 -0.000 3/29160 490.0 2.372 2.705 2.518 -0.000 -0.111 -0.000 3/29160 500.0 2.321 2.646 2.464 -0.000 -0.109 -0.000 3/29160 510.0 2.271 2.591 2.412 -0.000 -0.106 -0.000 3/29160 520.0 2.224 2.537 2.362 -0.000 -0.104 -0.000 3/29160 530.0 2.179 2.486 2.314 -0.000 -0.102 -0.000 3/29160 540.0 2.136 2.437 2.268 -0.000 -0.100 -0.000 3/29160 550.0 2.094 2.390 2.224 -0.000 -0.098 -0.000 3/29160 560.0 2.054 2.345 2.181 -0.000 -0.096 -0.000 3/29160 570.0 2.016 2.301 2.141 -0.000 -0.095 -0.000 3/29160 580.0 1.979 2.259 2.102 -0.000 -0.093 -0.000 3/29160 590.0 1.943 2.219 2.064 -0.000 -0.091 -0.000 3/29160 600.0 1.909 2.180 2.028 -0.000 -0.090 -0.000 3/29160 610.0 1.876 2.143 1.992 -0.000 -0.088 -0.000 3/29160 620.0 1.844 2.106 1.959 -0.000 -0.087 -0.000 3/29160 630.0 1.813 2.071 1.926 -0.000 -0.085 -0.000 3/29160 640.0 1.783 2.038 1.894 -0.000 -0.084 -0.000 3/29160 650.0 1.754 2.005 1.864 -0.000 -0.083 -0.000 3/29160 660.0 1.726 1.973 1.834 -0.000 -0.081 -0.000 3/29160 670.0 1.699 1.943 1.806 -0.000 -0.080 -0.000 3/29160 680.0 1.673 1.913 1.778 -0.000 -0.079 -0.000 3/29160 690.0 1.648 1.884 1.751 -0.000 -0.078 -0.000 3/29160 700.0 1.623 1.856 1.725 -0.000 -0.076 -0.000 3/29160 710.0 1.600 1.829 1.700 -0.000 -0.075 -0.000 3/29160 720.0 1.577 1.803 1.676 -0.000 -0.074 -0.000 3/29160 730.0 1.554 1.778 1.652 -0.000 -0.073 -0.000 3/29160 740.0 1.532 1.753 1.629 -0.000 -0.072 -0.000 3/29160 750.0 1.511 1.729 1.606 -0.000 -0.071 -0.000 3/29160 760.0 1.491 1.705 1.584 -0.000 -0.070 -0.000 3/29160 770.0 1.471 1.683 1.563 -0.000 -0.069 -0.000 3/29160 780.0 1.451 1.660 1.542 -0.000 -0.068 -0.000 3/29160 790.0 1.432 1.639 1.522 -0.000 -0.068 -0.000 3/29160 800.0 1.414 1.618 1.503 -0.000 -0.067 -0.000 3/29160 810.0 1.396 1.597 1.484 -0.000 -0.066 -0.000 3/29160 820.0 1.378 1.577 1.465 -0.000 -0.065 -0.000 3/29160 830.0 1.361 1.558 1.447 -0.000 -0.064 -0.000 3/29160 840.0 1.344 1.539 1.429 -0.000 -0.063 -0.000 3/29160 850.0 1.328 1.520 1.412 -0.000 -0.063 -0.000 3/29160 860.0 1.312 1.502 1.395 -0.000 -0.062 -0.000 3/29160 870.0 1.297 1.485 1.379 -0.000 -0.061 -0.000 3/29160 880.0 1.282 1.467 1.363 -0.000 -0.061 -0.000 3/29160 890.0 1.267 1.451 1.347 -0.000 -0.060 -0.000 3/29160 900.0 1.252 1.434 1.332 -0.000 -0.059 -0.000 3/29160 910.0 1.238 1.418 1.317 -0.000 -0.058 -0.000 3/29160 920.0 1.225 1.402 1.302 -0.000 -0.058 -0.000 3/29160 930.0 1.211 1.387 1.288 -0.000 -0.057 -0.000 3/29160 940.0 1.198 1.372 1.274 -0.000 -0.057 -0.000 3/29160 950.0 1.185 1.357 1.260 -0.000 -0.056 -0.000 3/29160 960.0 1.172 1.343 1.247 -0.000 -0.055 -0.000 3/29160 970.0 1.160 1.329 1.234 -0.000 -0.055 -0.000 3/29160 980.0 1.148 1.315 1.221 -0.000 -0.054 -0.000 3/29160 990.0 1.136 1.302 1.208 -0.000 -0.054 -0.000 3/29160 1000.0 1.125 1.289 1.196 -0.000 -0.053 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------\[time 2026-01-08 21:38:32\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\|