----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:04:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.337062020005730 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): *1 O 0.65931117353974 0.60889288988225 0.48375144461057 15.999 2 O 0.34068882646026 0.10889288988225 0.01624855538943 15.999 3 O 0.34068882646026 0.39110711011775 0.51624855538943 15.999 4 O 0.65931117353974 0.89110711011775 0.98375144461057 15.999 *5 O 0.09312589197708 0.88847864197560 0.01199863550168 15.999 6 O 0.90687410802292 0.38847864197560 0.48800136449831 15.999 7 O 0.90687410802292 0.11152135802440 0.98800136449831 15.999 8 O 0.09312589197708 0.61152135802440 0.51199863550169 15.999 *9 O 0.37885163278937 0.83002007157371 0.45969566796827 15.999 10 O 0.62114836721063 0.33002007157371 0.04030433203173 15.999 11 O 0.62114836721063 0.16997992842629 0.54030433203173 15.999 12 O 0.37885163278937 0.66997992842629 0.95969566796827 15.999 *13 O 0.30064422012678 0.99910109541997 0.26206656471313 15.999 14 O 0.69935577987322 0.49910109541997 0.23793343528687 15.999 *15 O 0.14441406330192 0.11374590781540 0.52796277133457 15.999 16 O 0.69935577987322 0.00089890458003 0.73793343528687 15.999 *17 O 0.35475311534171 0.76904120837024 0.72377816838927 15.999 18 O 0.64524688465829 0.26904120837024 0.77622183161073 15.999 19 O 0.64524688465829 0.23095879162976 0.27622183161073 15.999 20 O 0.35475311534171 0.73095879162976 0.22377816838927 15.999 *21 O 0.10396396864795 0.23371406652357 0.23953170912065 15.999 22 O 0.89603603135205 0.73371406652357 0.26046829087935 15.999 23 O 0.89603603135205 0.76628593347643 0.76046829087935 15.999 24 O 0.10396396864795 0.26628593347643 0.73953170912065 15.999 *25 O 0.61537723299344 0.60653396774179 0.77035516539241 15.999 26 O 0.38462276700656 0.10653396774179 0.72964483460759 15.999 27 O 0.38462276700656 0.39346603225821 0.22964483460759 15.999 28 O 0.61537723299344 0.89346603225821 0.27035516539241 15.999 *29 O 0.08480066061755 0.99519794730195 0.75524048465904 15.999 30 O 0.91519933938245 0.49519794730195 0.74475951534096 15.999 31 O 0.91519933938245 0.00480205269805 0.24475951534096 15.999 32 O 0.08480066061755 0.50480205269805 0.25524048465904 15.999 33 O 0.14441406330192 0.38625409218460 0.02796277133457 15.999 34 O 0.85558593669809 0.88625409218460 0.47203722866543 15.999 35 O 0.85558593669809 0.61374590781540 0.97203722866543 15.999 36 O 0.30064422012678 0.50089890458003 0.76206656471313 15.999 *37 Si 0.39940949561984 0.86311440116101 0.30830063956846 28.085 38 Si 0.60059050438017 0.36311440116101 0.19169936043154 28.085 39 Si 0.60059050438017 0.13688559883899 0.69169936043154 28.085 40 Si 0.39940949561984 0.63688559883899 0.80830063956846 28.085 *41 Si 0.83242972838922 0.87670459230555 0.31772285371258 28.085 42 Si 0.16757027161078 0.37670459230555 0.18227714628742 28.085 43 Si 0.16757027161078 0.12329540769445 0.68227714628742 28.085 44 Si 0.83242972838922 0.62329540769445 0.81772285371258 28.085 *45 Ca 0.63654673321637 0.07867240776342 0.11046573081193 40.078 46 Ca 0.36345326678363 0.57867240776342 0.38953426918807 40.078 47 Ca 0.36345326678363 0.92132759223658 0.88953426918807 40.078 48 Ca 0.63654673321637 0.42132759223658 0.61046573081193 40.078 *49 Ca 0.11776148558744 0.67083953642986 0.08779202956189 40.078 50 Ca 0.88223851441256 0.17083953642986 0.41220797043811 40.078 51 Ca 0.88223851441256 0.32916046357014 0.91220797043811 40.078 52 Ca 0.11776148558744 0.82916046357014 0.58779202956189 40.078 *53 Ca 0.62677813099558 0.69688417027789 0.10005424689994 40.078 54 Ca 0.37322186900442 0.19688417027789 0.39994575310006 40.078 55 Ca 0.37322186900442 0.30311582972211 0.89994575310006 40.078 56 Ca 0.62677813099558 0.80311582972211 0.60005424689994 40.078 *57 Hf 0.12105171851467 0.43732299349536 0.61544233927733 178.490 58 Hf 0.87894828148533 0.93732299349536 0.88455766072267 178.490 59 Hf 0.87894828148533 0.56267700650464 0.38455766072267 178.490 60 Hf 0.12105171851467 0.06267700650464 0.11544233927733 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.337062020005730 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): *1 O 0.65931117353974 0.60889288988225 0.48375144461057 15.999 > 1 2 O 0.34068882646026 0.10889288988225 0.01624855538943 15.999 > 2 3 O 0.34068882646026 0.39110711011775 0.51624855538943 15.999 > 3 4 O 0.65931117353974 0.89110711011775 0.98375144461057 15.999 > 4 *5 O 0.09312589197708 0.88847864197560 0.01199863550168 15.999 > 5 6 O 0.90687410802292 0.38847864197560 0.48800136449831 15.999 > 6 7 O 0.90687410802292 0.11152135802440 0.98800136449831 15.999 > 7 8 O 0.09312589197708 0.61152135802440 0.51199863550169 15.999 > 8 *9 O 0.37885163278937 0.83002007157371 0.45969566796827 15.999 > 9 10 O 0.62114836721063 0.33002007157371 0.04030433203173 15.999 > 10 11 O 0.62114836721063 0.16997992842629 0.54030433203173 15.999 > 11 12 O 0.37885163278937 0.66997992842629 0.95969566796827 15.999 > 12 *13 O 0.30064422012678 0.99910109541997 0.26206656471313 15.999 > 13 14 O 0.69935577987322 0.49910109541997 0.23793343528687 15.999 > 14 *15 O 0.14441406330192 0.11374590781540 0.52796277133457 15.999 > 15 16 O 0.69935577987322 0.00089890458003 0.73793343528687 15.999 > 16 *17 O 0.35475311534171 0.76904120837024 0.72377816838927 15.999 > 17 18 O 0.64524688465829 0.26904120837024 0.77622183161073 15.999 > 18 19 O 0.64524688465829 0.23095879162976 0.27622183161073 15.999 > 19 20 O 0.35475311534171 0.73095879162976 0.22377816838927 15.999 > 20 *21 O 0.10396396864795 0.23371406652357 0.23953170912065 15.999 > 21 22 O 0.89603603135205 0.73371406652357 0.26046829087935 15.999 > 22 23 O 0.89603603135205 0.76628593347643 0.76046829087935 15.999 > 23 24 O 0.10396396864795 0.26628593347643 0.73953170912065 15.999 > 24 *25 O 0.61537723299344 0.60653396774179 0.77035516539241 15.999 > 25 26 O 0.38462276700656 0.10653396774179 0.72964483460759 15.999 > 26 27 O 0.38462276700656 0.39346603225821 0.22964483460759 15.999 > 27 28 O 0.61537723299344 0.89346603225821 0.27035516539241 15.999 > 28 *29 O 0.08480066061755 0.99519794730195 0.75524048465904 15.999 > 29 30 O 0.91519933938245 0.49519794730195 0.74475951534096 15.999 > 30 31 O 0.91519933938245 0.00480205269805 0.24475951534096 15.999 > 31 32 O 0.08480066061755 0.50480205269805 0.25524048465904 15.999 > 32 33 O 0.14441406330192 0.38625409218460 0.02796277133457 15.999 > 33 34 O 0.85558593669809 0.88625409218460 0.47203722866543 15.999 > 34 35 O 0.85558593669809 0.61374590781540 0.97203722866543 15.999 > 35 36 O 0.30064422012678 0.50089890458003 0.76206656471313 15.999 > 36 *37 Si 0.39940949561984 0.86311440116101 0.30830063956846 28.085 > 37 38 Si 0.60059050438017 0.36311440116101 0.19169936043154 28.085 > 38 39 Si 0.60059050438017 0.13688559883899 0.69169936043154 28.085 > 39 40 Si 0.39940949561984 0.63688559883899 0.80830063956846 28.085 > 40 *41 Si 0.83242972838922 0.87670459230555 0.31772285371258 28.085 > 41 42 Si 0.16757027161078 0.37670459230555 0.18227714628742 28.085 > 42 43 Si 0.16757027161078 0.12329540769445 0.68227714628742 28.085 > 43 44 Si 0.83242972838922 0.62329540769445 0.81772285371258 28.085 > 44 *45 Ca 0.63654673321637 0.07867240776342 0.11046573081193 40.078 > 45 46 Ca 0.36345326678363 0.57867240776342 0.38953426918807 40.078 > 46 47 Ca 0.36345326678363 0.92132759223658 0.88953426918807 40.078 > 47 48 Ca 0.63654673321637 0.42132759223658 0.61046573081193 40.078 > 48 *49 Ca 0.11776148558744 0.67083953642986 0.08779202956189 40.078 > 49 50 Ca 0.88223851441256 0.17083953642986 0.41220797043811 40.078 > 50 51 Ca 0.88223851441256 0.32916046357014 0.91220797043811 40.078 > 51 52 Ca 0.11776148558744 0.82916046357014 0.58779202956189 40.078 > 52 *53 Ca 0.62677813099558 0.69688417027789 0.10005424689994 40.078 > 53 54 Ca 0.37322186900442 0.19688417027789 0.39994575310006 40.078 > 54 55 Ca 0.37322186900442 0.30311582972211 0.89994575310006 40.078 > 55 56 Ca 0.62677813099558 0.80311582972211 0.60005424689994 40.078 > 56 *57 Hf 0.12105171851467 0.43732299349536 0.61544233927733 178.490 > 57 58 Hf 0.87894828148533 0.93732299349536 0.88455766072267 178.490 > 58 59 Hf 0.87894828148533 0.56267700650464 0.38455766072267 178.490 > 59 60 Hf 0.12105171851467 0.06267700650464 0.11544233927733 178.490 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.674124040011460 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): *1 O 0.32965558676987 0.60889288988225 0.48375144461057 15.999 > 1 2 O 0.82965558676987 0.60889288988225 0.48375144461057 15.999 > 1 3 O 0.17034441323013 0.10889288988225 0.01624855538943 15.999 > 2 4 O 0.67034441323013 0.10889288988225 0.01624855538943 15.999 > 2 5 O 0.17034441323013 0.39110711011775 0.51624855538943 15.999 > 3 6 O 0.67034441323013 0.39110711011775 0.51624855538943 15.999 > 3 7 O 0.32965558676987 0.89110711011775 0.98375144461057 15.999 > 4 8 O 0.82965558676987 0.89110711011775 0.98375144461057 15.999 > 4 *9 O 0.04656294598854 0.88847864197560 0.01199863550168 15.999 > 5 10 O 0.54656294598854 0.88847864197560 0.01199863550168 15.999 > 5 11 O 0.45343705401146 0.38847864197560 0.48800136449831 15.999 > 6 12 O 0.95343705401146 0.38847864197560 0.48800136449831 15.999 > 6 13 O 0.45343705401146 0.11152135802440 0.98800136449831 15.999 > 7 14 O 0.95343705401146 0.11152135802440 0.98800136449831 15.999 > 7 15 O 0.04656294598854 0.61152135802440 0.51199863550169 15.999 > 8 16 O 0.54656294598854 0.61152135802440 0.51199863550169 15.999 > 8 *17 O 0.18942581639469 0.83002007157371 0.45969566796827 15.999 > 9 18 O 0.68942581639469 0.83002007157371 0.45969566796827 15.999 > 9 19 O 0.31057418360531 0.33002007157371 0.04030433203173 15.999 > 10 20 O 0.81057418360531 0.33002007157371 0.04030433203173 15.999 > 10 21 O 0.31057418360531 0.16997992842629 0.54030433203173 15.999 > 11 22 O 0.81057418360531 0.16997992842629 0.54030433203173 15.999 > 11 23 O 0.18942581639469 0.66997992842629 0.95969566796827 15.999 > 12 24 O 0.68942581639469 0.66997992842629 0.95969566796827 15.999 > 12 *25 O 0.15032211006339 0.99910109541997 0.26206656471313 15.999 > 13 26 O 0.65032211006339 0.99910109541997 0.26206656471313 15.999 > 13 27 O 0.34967788993661 0.49910109541997 0.23793343528687 15.999 > 14 28 O 0.84967788993661 0.49910109541997 0.23793343528687 15.999 > 14 *29 O 0.07220703165096 0.11374590781540 0.52796277133457 15.999 > 15 30 O 0.57220703165096 0.11374590781540 0.52796277133457 15.999 > 15 31 O 0.34967788993661 0.00089890458003 0.73793343528687 15.999 > 16 32 O 0.84967788993661 0.00089890458003 0.73793343528687 15.999 > 16 *33 O 0.17737655767085 0.76904120837024 0.72377816838927 15.999 > 17 34 O 0.67737655767085 0.76904120837024 0.72377816838927 15.999 > 17 35 O 0.32262344232915 0.26904120837024 0.77622183161073 15.999 > 18 36 O 0.82262344232915 0.26904120837024 0.77622183161073 15.999 > 18 37 O 0.32262344232915 0.23095879162976 0.27622183161073 15.999 > 19 38 O 0.82262344232915 0.23095879162976 0.27622183161073 15.999 > 19 39 O 0.17737655767085 0.73095879162976 0.22377816838927 15.999 > 20 40 O 0.67737655767085 0.73095879162976 0.22377816838927 15.999 > 20 *41 O 0.05198198432397 0.23371406652357 0.23953170912065 15.999 > 21 42 O 0.55198198432397 0.23371406652357 0.23953170912065 15.999 > 21 43 O 0.44801801567603 0.73371406652357 0.26046829087935 15.999 > 22 44 O 0.94801801567603 0.73371406652357 0.26046829087935 15.999 > 22 45 O 0.44801801567603 0.76628593347643 0.76046829087935 15.999 > 23 46 O 0.94801801567603 0.76628593347643 0.76046829087935 15.999 > 23 47 O 0.05198198432397 0.26628593347643 0.73953170912065 15.999 > 24 48 O 0.55198198432397 0.26628593347643 0.73953170912065 15.999 > 24 *49 O 0.30768861649672 0.60653396774179 0.77035516539241 15.999 > 25 50 O 0.80768861649672 0.60653396774179 0.77035516539241 15.999 > 25 51 O 0.19231138350328 0.10653396774179 0.72964483460759 15.999 > 26 52 O 0.69231138350328 0.10653396774179 0.72964483460759 15.999 > 26 53 O 0.19231138350328 0.39346603225821 0.22964483460759 15.999 > 27 54 O 0.69231138350328 0.39346603225821 0.22964483460759 15.999 > 27 55 O 0.30768861649672 0.89346603225821 0.27035516539241 15.999 > 28 56 O 0.80768861649672 0.89346603225821 0.27035516539241 15.999 > 28 *57 O 0.04240033030878 0.99519794730195 0.75524048465904 15.999 > 29 58 O 0.54240033030878 0.99519794730195 0.75524048465904 15.999 > 29 59 O 0.45759966969122 0.49519794730195 0.74475951534096 15.999 > 30 60 O 0.95759966969122 0.49519794730195 0.74475951534096 15.999 > 30 61 O 0.45759966969122 0.00480205269805 0.24475951534096 15.999 > 31 62 O 0.95759966969122 0.00480205269805 0.24475951534096 15.999 > 31 63 O 0.04240033030878 0.50480205269805 0.25524048465904 15.999 > 32 64 O 0.54240033030878 0.50480205269805 0.25524048465904 15.999 > 32 65 O 0.07220703165096 0.38625409218460 0.02796277133457 15.999 > 33 66 O 0.57220703165096 0.38625409218460 0.02796277133457 15.999 > 33 67 O 0.42779296834904 0.88625409218460 0.47203722866543 15.999 > 34 68 O 0.92779296834904 0.88625409218460 0.47203722866543 15.999 > 34 69 O 0.42779296834904 0.61374590781540 0.97203722866543 15.999 > 35 70 O 0.92779296834904 0.61374590781540 0.97203722866543 15.999 > 35 71 O 0.15032211006339 0.50089890458003 0.76206656471313 15.999 > 36 72 O 0.65032211006339 0.50089890458003 0.76206656471313 15.999 > 36 *73 Si 0.19970474780992 0.86311440116101 0.30830063956846 28.085 > 37 74 Si 0.69970474780992 0.86311440116101 0.30830063956846 28.085 > 37 75 Si 0.30029525219008 0.36311440116101 0.19169936043154 28.085 > 38 76 Si 0.80029525219008 0.36311440116101 0.19169936043154 28.085 > 38 77 Si 0.30029525219008 0.13688559883899 0.69169936043154 28.085 > 39 78 Si 0.80029525219008 0.13688559883899 0.69169936043154 28.085 > 39 79 Si 0.19970474780992 0.63688559883899 0.80830063956846 28.085 > 40 80 Si 0.69970474780992 0.63688559883899 0.80830063956846 28.085 > 40 *81 Si 0.41621486419461 0.87670459230555 0.31772285371258 28.085 > 41 82 Si 0.91621486419461 0.87670459230555 0.31772285371258 28.085 > 41 83 Si 0.08378513580539 0.37670459230555 0.18227714628742 28.085 > 42 84 Si 0.58378513580539 0.37670459230555 0.18227714628742 28.085 > 42 85 Si 0.08378513580539 0.12329540769445 0.68227714628742 28.085 > 43 86 Si 0.58378513580539 0.12329540769445 0.68227714628742 28.085 > 43 87 Si 0.41621486419461 0.62329540769445 0.81772285371258 28.085 > 44 88 Si 0.91621486419461 0.62329540769445 0.81772285371258 28.085 > 44 *89 Ca 0.31827336660818 0.07867240776342 0.11046573081193 40.078 > 45 90 Ca 0.81827336660818 0.07867240776342 0.11046573081193 40.078 > 45 91 Ca 0.18172663339182 0.57867240776342 0.38953426918807 40.078 > 46 92 Ca 0.68172663339182 0.57867240776342 0.38953426918807 40.078 > 46 93 Ca 0.18172663339182 0.92132759223658 0.88953426918807 40.078 > 47 94 Ca 0.68172663339182 0.92132759223658 0.88953426918807 40.078 > 47 95 Ca 0.31827336660818 0.42132759223658 0.61046573081193 40.078 > 48 96 Ca 0.81827336660818 0.42132759223658 0.61046573081193 40.078 > 48 *97 Ca 0.05888074279372 0.67083953642986 0.08779202956189 40.078 > 49 98 Ca 0.55888074279372 0.67083953642986 0.08779202956189 40.078 > 49 99 Ca 0.44111925720628 0.17083953642986 0.41220797043811 40.078 > 50 100 Ca 0.94111925720628 0.17083953642986 0.41220797043811 40.078 > 50 101 Ca 0.44111925720628 0.32916046357014 0.91220797043811 40.078 > 51 102 Ca 0.94111925720628 0.32916046357014 0.91220797043811 40.078 > 51 103 Ca 0.05888074279372 0.82916046357014 0.58779202956189 40.078 > 52 104 Ca 0.55888074279372 0.82916046357014 0.58779202956189 40.078 > 52 *105 Ca 0.31338906549779 0.69688417027789 0.10005424689994 40.078 > 53 106 Ca 0.81338906549779 0.69688417027789 0.10005424689994 40.078 > 53 107 Ca 0.18661093450221 0.19688417027789 0.39994575310006 40.078 > 54 108 Ca 0.68661093450221 0.19688417027789 0.39994575310006 40.078 > 54 109 Ca 0.18661093450221 0.30311582972211 0.89994575310006 40.078 > 55 110 Ca 0.68661093450221 0.30311582972211 0.89994575310006 40.078 > 55 111 Ca 0.31338906549779 0.80311582972211 0.60005424689994 40.078 > 56 112 Ca 0.81338906549779 0.80311582972211 0.60005424689994 40.078 > 56 *113 Hf 0.06052585925734 0.43732299349536 0.61544233927733 178.490 > 57 114 Hf 0.56052585925734 0.43732299349536 0.61544233927733 178.490 > 57 115 Hf 0.43947414074266 0.93732299349536 0.88455766072267 178.490 > 58 116 Hf 0.93947414074266 0.93732299349536 0.88455766072267 178.490 > 58 117 Hf 0.43947414074266 0.56267700650464 0.38455766072267 178.490 > 59 118 Hf 0.93947414074266 0.56267700650464 0.38455766072267 178.490 > 59 119 Hf 0.06052585925734 0.06267700650464 0.11544233927733 178.490 > 60 120 Hf 0.56052585925734 0.06267700650464 0.11544233927733 178.490 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3453557 0.0000000 0.0100176 0.0000000 3.2744530 0.0000000 0.0100203 0.0000000 3.3229565 -------------------------- Born effective charges -------------------------- 1 O -2.7754176 0.2079566 0.5672862 0.3687492 -1.9477331 -0.2644341 0.5377649 -0.0681365 -1.9616647 2 O -2.7754176 -0.2079566 0.5672862 -0.3687492 -1.9477331 0.2644341 0.5377649 0.0681365 -1.9616647 3 O -2.7754176 0.2079566 0.5672862 0.3687492 -1.9477331 -0.2644341 0.5377649 -0.0681365 -1.9616647 4 O -2.7754176 -0.2079566 0.5672862 -0.3687492 -1.9477331 0.2644341 0.5377649 0.0681365 -1.9616647 5 O -2.1709659 -0.0244020 -0.5891034 0.0347642 -2.3769744 -0.2540240 -0.5489581 -0.3124954 -2.1407530 6 O -2.1709659 0.0244020 -0.5891034 -0.0347642 -2.3769744 0.2540240 -0.5489581 0.3124954 -2.1407530 7 O -2.1709659 -0.0244020 -0.5891034 0.0347642 -2.3769744 -0.2540240 -0.5489581 -0.3124954 -2.1407530 8 O -2.1709659 0.0244020 -0.5891034 -0.0347642 -2.3769744 0.2540240 -0.5489581 0.3124954 -2.1407530 9 O -1.7592501 0.0619989 0.0632903 0.0357825 -1.5610686 0.1655021 0.0586534 0.1962616 -2.3471045 10 O -1.7592501 -0.0619989 0.0632903 -0.0357825 -1.5610686 -0.1655021 0.0586534 -0.1962616 -2.3471045 11 O -1.7592501 0.0619989 0.0632903 0.0357825 -1.5610686 0.1655021 0.0586534 0.1962616 -2.3471045 12 O -1.7592501 -0.0619989 0.0632903 -0.0357825 -1.5610686 -0.1655021 0.0586534 -0.1962616 -2.3471045 13 O -1.9602038 0.6252122 -0.7765061 0.4848261 -2.1325628 0.4499972 -0.7058811 0.4754818 -2.0895133 14 O -1.9602038 -0.6252122 -0.7765061 -0.4848261 -2.1325628 -0.4499972 -0.7058811 -0.4754818 -2.0895133 15 O -1.6252434 -0.0764325 -0.0791989 -0.0476161 -1.6417855 0.1270286 -0.0734912 0.1786369 -2.2893579 16 O -1.9602038 0.6252122 -0.7765061 0.4848261 -2.1325628 0.4499972 -0.7058811 0.4754818 -2.0895133 17 O -1.7554154 0.2105362 -0.1315146 0.1300735 -2.0157863 0.1243655 -0.0924206 0.1058456 -1.9481382 18 O -1.7554154 -0.2105362 -0.1315146 -0.1300735 -2.0157863 -0.1243655 -0.0924206 -0.1058456 -1.9481382 19 O -1.7554154 0.2105362 -0.1315146 0.1300735 -2.0157863 0.1243655 -0.0924206 0.1058456 -1.9481382 20 O -1.7554154 -0.2105362 -0.1315146 -0.1300735 -2.0157863 -0.1243655 -0.0924206 -0.1058456 -1.9481382 21 O -1.4456137 -0.2455124 0.0796378 -0.1578872 -2.6451041 -0.3007074 0.0845251 -0.3609030 -1.9420871 22 O -1.4456137 0.2455124 0.0796378 0.1578872 -2.6451041 0.3007074 0.0845251 0.3609030 -1.9420871 23 O -1.4456137 -0.2455124 0.0796378 -0.1578872 -2.6451041 -0.3007074 0.0845251 -0.3609030 -1.9420871 24 O -1.4456137 0.2455124 0.0796378 0.1578872 -2.6451041 0.3007074 0.0845251 0.3609030 -1.9420871 25 O -2.9716210 0.0795040 0.0077586 0.0480296 -1.4324200 -0.1807185 -0.0858169 -0.2007648 -1.4427139 26 O -2.9716210 -0.0795040 0.0077586 -0.0480296 -1.4324200 0.1807185 -0.0858169 0.2007648 -1.4427139 27 O -2.9716210 0.0795040 0.0077586 0.0480296 -1.4324200 -0.1807185 -0.0858169 -0.2007648 -1.4427139 28 O -2.9716210 -0.0795040 0.0077586 -0.0480296 -1.4324200 0.1807185 -0.0858169 0.2007648 -1.4427139 29 O -2.1094616 -0.4922408 0.6893816 -0.4194156 -2.0037783 0.4696533 0.6260029 0.4944615 -2.1447840 30 O -2.1094616 0.4922408 0.6893816 0.4194156 -2.0037783 -0.4696533 0.6260029 -0.4944615 -2.1447840 31 O -2.1094616 -0.4922408 0.6893816 -0.4194156 -2.0037783 0.4696533 0.6260029 0.4944615 -2.1447840 32 O -2.1094616 0.4922408 0.6893816 0.4194156 -2.0037783 -0.4696533 0.6260029 -0.4944615 -2.1447840 33 O -1.6252434 0.0764325 -0.0791989 0.0476161 -1.6417855 -0.1270286 -0.0734912 -0.1786369 -2.2893579 34 O -1.6252434 -0.0764325 -0.0791989 -0.0476161 -1.6417855 0.1270286 -0.0734912 0.1786369 -2.2893579 35 O -1.6252434 0.0764325 -0.0791989 0.0476161 -1.6417855 -0.1270286 -0.0734912 -0.1786369 -2.2893579 36 O -1.9602038 -0.6252122 -0.7765061 -0.4848261 -2.1325628 -0.4499972 -0.7058811 -0.4754818 -2.0895133 37 Si 3.1110695 -0.2452409 -0.0480950 -0.1807277 3.1512323 -0.2476137 0.0798964 -0.4493910 2.9804855 38 Si 3.1110695 0.2452409 -0.0480950 0.1807277 3.1512323 0.2476137 0.0798964 0.4493910 2.9804855 39 Si 3.1110695 -0.2452409 -0.0480950 -0.1807277 3.1512323 -0.2476137 0.0798964 -0.4493910 2.9804855 40 Si 3.1110695 0.2452409 -0.0480950 0.1807277 3.1512323 0.2476137 0.0798964 0.4493910 2.9804855 41 Si 2.9167988 0.1790365 0.0764771 0.0222264 3.3155342 -0.2118475 0.0660036 -0.5365000 3.0415664 42 Si 2.9167988 -0.1790365 0.0764771 -0.0222264 3.3155342 0.2118475 0.0660036 0.5365000 3.0415664 43 Si 2.9167988 0.1790365 0.0764771 0.0222264 3.3155342 -0.2118475 0.0660036 -0.5365000 3.0415664 44 Si 2.9167988 -0.1790365 0.0764771 -0.0222264 3.3155342 0.2118475 0.0660036 0.5365000 3.0415664 45 Ca 2.5693812 -0.2796871 -0.0488735 -0.1512334 2.3789328 0.1597805 -0.0342205 0.2386033 2.1588294 46 Ca 2.5693812 0.2796871 -0.0488735 0.1512334 2.3789328 -0.1597805 -0.0342205 -0.2386033 2.1588294 47 Ca 2.5693812 -0.2796871 -0.0488735 -0.1512334 2.3789328 0.1597805 -0.0342205 0.2386033 2.1588294 48 Ca 2.5693812 0.2796871 -0.0488735 0.1512334 2.3789328 -0.1597805 -0.0342205 -0.2386033 2.1588294 49 Ca 2.5091355 0.0832724 0.0335898 0.1146278 2.5352749 -0.2542422 0.0181929 -0.1576444 2.4966048 50 Ca 2.5091355 -0.0832724 0.0335898 -0.1146278 2.5352749 0.2542422 0.0181929 0.1576444 2.4966048 51 Ca 2.5091355 0.0832724 0.0335898 0.1146278 2.5352749 -0.2542422 0.0181929 -0.1576444 2.4966048 52 Ca 2.5091355 -0.0832724 0.0335898 -0.1146278 2.5352749 0.2542422 0.0181929 0.1576444 2.4966048 53 Ca 2.3749421 0.0056841 -0.0836369 -0.0976018 2.3102542 -0.2157201 0.0284603 -0.1485928 2.6650561 54 Ca 2.3749421 -0.0056841 -0.0836369 0.0976018 2.3102542 0.2157201 0.0284603 0.1485928 2.6650561 55 Ca 2.3749421 0.0056841 -0.0836369 -0.0976018 2.3102542 -0.2157201 0.0284603 -0.1485928 2.6650561 56 Ca 2.3749421 -0.0056841 -0.0836369 0.0976018 2.3102542 0.2157201 0.0284603 0.1485928 2.6650561 57 Hf 5.0918653 -0.4152889 0.2395069 -0.3966380 4.0659845 -0.2011495 0.0412891 -0.3991384 4.9635744 58 Hf 5.0918653 0.4152889 0.2395069 0.3966380 4.0659845 0.2011495 0.0412891 0.3991384 4.9635744 59 Hf 5.0918653 -0.4152889 0.2395069 -0.3966380 4.0659845 -0.2011495 0.0412891 -0.3991384 4.9635744 60 Hf 5.0918653 0.4152889 0.2395069 0.3966380 4.0659845 0.2011495 0.0412891 0.3991384 4.9635744 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.379 Solver_block: 200 / 1840 - Time: 2.060 Solver_block: 300 / 1840 - Time: 2.062 Solver_block: 400 / 1840 - Time: 2.063 Solver_block: 500 / 1840 - Time: 2.072 Solver_block: 600 / 1840 - Time: 2.067 Solver_block: 700 / 1840 - Time: 2.065 Solver_block: 800 / 1840 - Time: 2.068 Solver_block: 900 / 1840 - Time: 2.064 Solver_block: 1000 / 1840 - Time: 2.078 Solver_block: 1100 / 1840 - Time: 2.067 Solver_block: 1200 / 1840 - Time: 2.067 Solver_block: 1300 / 1840 - Time: 2.068 Solver_block: 1400 / 1840 - Time: 2.068 Solver_block: 1500 / 1840 - Time: 2.075 Solver_block: 1600 / 1840 - Time: 2.067 Solver_block: 1700 / 1840 - Time: 2.065 Solver_block: 1800 / 1840 - Time: 2.068 Solver_block: 1840 / 1840 - Time: 0.991 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.569 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), 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 01:06:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:06:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.337062020005730 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): 1 O 0.65931117353974 0.60889288988225 0.48375144461057 15.999 2 O 0.34068882646026 0.10889288988225 0.01624855538943 15.999 3 O 0.34068882646026 0.39110711011775 0.51624855538943 15.999 4 O 0.65931117353974 0.89110711011775 0.98375144461057 15.999 5 O 0.09312589197708 0.88847864197560 0.01199863550168 15.999 6 O 0.90687410802292 0.38847864197560 0.48800136449831 15.999 7 O 0.90687410802292 0.11152135802440 0.98800136449831 15.999 8 O 0.09312589197708 0.61152135802440 0.51199863550169 15.999 9 O 0.37885163278937 0.83002007157371 0.45969566796827 15.999 10 O 0.62114836721063 0.33002007157371 0.04030433203173 15.999 11 O 0.62114836721063 0.16997992842629 0.54030433203173 15.999 12 O 0.37885163278937 0.66997992842629 0.95969566796827 15.999 13 O 0.30064422012678 0.99910109541997 0.26206656471313 15.999 14 O 0.69935577987322 0.49910109541997 0.23793343528687 15.999 15 O 0.14441406330192 0.11374590781540 0.52796277133457 15.999 16 O 0.69935577987322 0.00089890458003 0.73793343528687 15.999 17 O 0.35475311534171 0.76904120837024 0.72377816838927 15.999 18 O 0.64524688465829 0.26904120837024 0.77622183161073 15.999 19 O 0.64524688465829 0.23095879162976 0.27622183161073 15.999 20 O 0.35475311534171 0.73095879162976 0.22377816838927 15.999 21 O 0.10396396864795 0.23371406652357 0.23953170912065 15.999 22 O 0.89603603135205 0.73371406652357 0.26046829087935 15.999 23 O 0.89603603135205 0.76628593347643 0.76046829087935 15.999 24 O 0.10396396864795 0.26628593347643 0.73953170912065 15.999 25 O 0.61537723299344 0.60653396774179 0.77035516539241 15.999 26 O 0.38462276700656 0.10653396774179 0.72964483460759 15.999 27 O 0.38462276700656 0.39346603225821 0.22964483460759 15.999 28 O 0.61537723299344 0.89346603225821 0.27035516539241 15.999 29 O 0.08480066061755 0.99519794730195 0.75524048465904 15.999 30 O 0.91519933938245 0.49519794730195 0.74475951534096 15.999 31 O 0.91519933938245 0.00480205269805 0.24475951534096 15.999 32 O 0.08480066061755 0.50480205269805 0.25524048465904 15.999 33 O 0.14441406330192 0.38625409218460 0.02796277133457 15.999 34 O 0.85558593669809 0.88625409218460 0.47203722866543 15.999 35 O 0.85558593669809 0.61374590781540 0.97203722866543 15.999 36 O 0.30064422012678 0.50089890458003 0.76206656471313 15.999 37 Si 0.39940949561984 0.86311440116101 0.30830063956846 28.085 38 Si 0.60059050438017 0.36311440116101 0.19169936043154 28.085 39 Si 0.60059050438017 0.13688559883899 0.69169936043154 28.085 40 Si 0.39940949561984 0.63688559883899 0.80830063956846 28.085 41 Si 0.83242972838922 0.87670459230555 0.31772285371258 28.085 42 Si 0.16757027161078 0.37670459230555 0.18227714628742 28.085 43 Si 0.16757027161078 0.12329540769445 0.68227714628742 28.085 44 Si 0.83242972838922 0.62329540769445 0.81772285371258 28.085 45 Ca 0.63654673321637 0.07867240776342 0.11046573081193 40.078 46 Ca 0.36345326678363 0.57867240776342 0.38953426918807 40.078 47 Ca 0.36345326678363 0.92132759223658 0.88953426918807 40.078 48 Ca 0.63654673321637 0.42132759223658 0.61046573081193 40.078 49 Ca 0.11776148558744 0.67083953642986 0.08779202956189 40.078 50 Ca 0.88223851441256 0.17083953642986 0.41220797043811 40.078 51 Ca 0.88223851441256 0.32916046357014 0.91220797043811 40.078 52 Ca 0.11776148558744 0.82916046357014 0.58779202956189 40.078 53 Ca 0.62677813099558 0.69688417027789 0.10005424689994 40.078 54 Ca 0.37322186900442 0.19688417027789 0.39994575310006 40.078 55 Ca 0.37322186900442 0.30311582972211 0.89994575310006 40.078 56 Ca 0.62677813099558 0.80311582972211 0.60005424689994 40.078 57 Hf 0.12105171851467 0.43732299349536 0.61544233927733 178.490 58 Hf 0.87894828148533 0.93732299349536 0.88455766072267 178.490 59 Hf 0.87894828148533 0.56267700650464 0.38455766072267 178.490 60 Hf 0.12105171851467 0.06267700650464 0.11544233927733 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.674124040011460 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): 1 O 0.32965558676987 0.60889288988225 0.48375144461057 15.999 > 1 2 O 0.82965558676987 0.60889288988225 0.48375144461057 15.999 > 1 3 O 0.17034441323013 0.10889288988225 0.01624855538943 15.999 > 3 4 O 0.67034441323013 0.10889288988225 0.01624855538943 15.999 > 3 5 O 0.17034441323013 0.39110711011775 0.51624855538943 15.999 > 5 6 O 0.67034441323013 0.39110711011775 0.51624855538943 15.999 > 5 7 O 0.32965558676987 0.89110711011775 0.98375144461057 15.999 > 7 8 O 0.82965558676987 0.89110711011775 0.98375144461057 15.999 > 7 9 O 0.04656294598854 0.88847864197560 0.01199863550168 15.999 > 9 10 O 0.54656294598854 0.88847864197560 0.01199863550168 15.999 > 9 11 O 0.45343705401146 0.38847864197560 0.48800136449831 15.999 > 11 12 O 0.95343705401146 0.38847864197560 0.48800136449831 15.999 > 11 13 O 0.45343705401146 0.11152135802440 0.98800136449831 15.999 > 13 14 O 0.95343705401146 0.11152135802440 0.98800136449831 15.999 > 13 15 O 0.04656294598854 0.61152135802440 0.51199863550169 15.999 > 15 16 O 0.54656294598854 0.61152135802440 0.51199863550169 15.999 > 15 17 O 0.18942581639469 0.83002007157371 0.45969566796827 15.999 > 17 18 O 0.68942581639469 0.83002007157371 0.45969566796827 15.999 > 17 19 O 0.31057418360531 0.33002007157371 0.04030433203173 15.999 > 19 20 O 0.81057418360531 0.33002007157371 0.04030433203173 15.999 > 19 21 O 0.31057418360531 0.16997992842629 0.54030433203173 15.999 > 21 22 O 0.81057418360531 0.16997992842629 0.54030433203173 15.999 > 21 23 O 0.18942581639469 0.66997992842629 0.95969566796827 15.999 > 23 24 O 0.68942581639469 0.66997992842629 0.95969566796827 15.999 > 23 25 O 0.15032211006339 0.99910109541997 0.26206656471313 15.999 > 25 26 O 0.65032211006339 0.99910109541997 0.26206656471313 15.999 > 25 27 O 0.34967788993661 0.49910109541997 0.23793343528687 15.999 > 27 28 O 0.84967788993661 0.49910109541997 0.23793343528687 15.999 > 27 29 O 0.07220703165096 0.11374590781540 0.52796277133457 15.999 > 29 30 O 0.57220703165096 0.11374590781540 0.52796277133457 15.999 > 29 31 O 0.34967788993661 0.00089890458003 0.73793343528687 15.999 > 31 32 O 0.84967788993661 0.00089890458003 0.73793343528687 15.999 > 31 33 O 0.17737655767085 0.76904120837024 0.72377816838927 15.999 > 33 34 O 0.67737655767085 0.76904120837024 0.72377816838927 15.999 > 33 35 O 0.32262344232915 0.26904120837024 0.77622183161073 15.999 > 35 36 O 0.82262344232915 0.26904120837024 0.77622183161073 15.999 > 35 37 O 0.32262344232915 0.23095879162976 0.27622183161073 15.999 > 37 38 O 0.82262344232915 0.23095879162976 0.27622183161073 15.999 > 37 39 O 0.17737655767085 0.73095879162976 0.22377816838927 15.999 > 39 40 O 0.67737655767085 0.73095879162976 0.22377816838927 15.999 > 39 41 O 0.05198198432397 0.23371406652357 0.23953170912065 15.999 > 41 42 O 0.55198198432397 0.23371406652357 0.23953170912065 15.999 > 41 43 O 0.44801801567603 0.73371406652357 0.26046829087935 15.999 > 43 44 O 0.94801801567603 0.73371406652357 0.26046829087935 15.999 > 43 45 O 0.44801801567603 0.76628593347643 0.76046829087935 15.999 > 45 46 O 0.94801801567603 0.76628593347643 0.76046829087935 15.999 > 45 47 O 0.05198198432397 0.26628593347643 0.73953170912065 15.999 > 47 48 O 0.55198198432397 0.26628593347643 0.73953170912065 15.999 > 47 49 O 0.30768861649672 0.60653396774179 0.77035516539241 15.999 > 49 50 O 0.80768861649672 0.60653396774179 0.77035516539241 15.999 > 49 51 O 0.19231138350328 0.10653396774179 0.72964483460759 15.999 > 51 52 O 0.69231138350328 0.10653396774179 0.72964483460759 15.999 > 51 53 O 0.19231138350328 0.39346603225821 0.22964483460759 15.999 > 53 54 O 0.69231138350328 0.39346603225821 0.22964483460759 15.999 > 53 55 O 0.30768861649672 0.89346603225821 0.27035516539241 15.999 > 55 56 O 0.80768861649672 0.89346603225821 0.27035516539241 15.999 > 55 57 O 0.04240033030878 0.99519794730195 0.75524048465904 15.999 > 57 58 O 0.54240033030878 0.99519794730195 0.75524048465904 15.999 > 57 59 O 0.45759966969122 0.49519794730195 0.74475951534096 15.999 > 59 60 O 0.95759966969122 0.49519794730195 0.74475951534096 15.999 > 59 61 O 0.45759966969122 0.00480205269805 0.24475951534096 15.999 > 61 62 O 0.95759966969122 0.00480205269805 0.24475951534096 15.999 > 61 63 O 0.04240033030878 0.50480205269805 0.25524048465904 15.999 > 63 64 O 0.54240033030878 0.50480205269805 0.25524048465904 15.999 > 63 65 O 0.07220703165096 0.38625409218460 0.02796277133457 15.999 > 65 66 O 0.57220703165096 0.38625409218460 0.02796277133457 15.999 > 65 67 O 0.42779296834904 0.88625409218460 0.47203722866543 15.999 > 67 68 O 0.92779296834904 0.88625409218460 0.47203722866543 15.999 > 67 69 O 0.42779296834904 0.61374590781540 0.97203722866543 15.999 > 69 70 O 0.92779296834904 0.61374590781540 0.97203722866543 15.999 > 69 71 O 0.15032211006339 0.50089890458003 0.76206656471313 15.999 > 71 72 O 0.65032211006339 0.50089890458003 0.76206656471313 15.999 > 71 73 Si 0.19970474780992 0.86311440116101 0.30830063956846 28.085 > 73 74 Si 0.69970474780992 0.86311440116101 0.30830063956846 28.085 > 73 75 Si 0.30029525219008 0.36311440116101 0.19169936043154 28.085 > 75 76 Si 0.80029525219008 0.36311440116101 0.19169936043154 28.085 > 75 77 Si 0.30029525219008 0.13688559883899 0.69169936043154 28.085 > 77 78 Si 0.80029525219008 0.13688559883899 0.69169936043154 28.085 > 77 79 Si 0.19970474780992 0.63688559883899 0.80830063956846 28.085 > 79 80 Si 0.69970474780992 0.63688559883899 0.80830063956846 28.085 > 79 81 Si 0.41621486419461 0.87670459230555 0.31772285371258 28.085 > 81 82 Si 0.91621486419461 0.87670459230555 0.31772285371258 28.085 > 81 83 Si 0.08378513580539 0.37670459230555 0.18227714628742 28.085 > 83 84 Si 0.58378513580539 0.37670459230555 0.18227714628742 28.085 > 83 85 Si 0.08378513580539 0.12329540769445 0.68227714628742 28.085 > 85 86 Si 0.58378513580539 0.12329540769445 0.68227714628742 28.085 > 85 87 Si 0.41621486419461 0.62329540769445 0.81772285371258 28.085 > 87 88 Si 0.91621486419461 0.62329540769445 0.81772285371258 28.085 > 87 89 Ca 0.31827336660818 0.07867240776342 0.11046573081193 40.078 > 89 90 Ca 0.81827336660818 0.07867240776342 0.11046573081193 40.078 > 89 91 Ca 0.18172663339182 0.57867240776342 0.38953426918807 40.078 > 91 92 Ca 0.68172663339182 0.57867240776342 0.38953426918807 40.078 > 91 93 Ca 0.18172663339182 0.92132759223658 0.88953426918807 40.078 > 93 94 Ca 0.68172663339182 0.92132759223658 0.88953426918807 40.078 > 93 95 Ca 0.31827336660818 0.42132759223658 0.61046573081193 40.078 > 95 96 Ca 0.81827336660818 0.42132759223658 0.61046573081193 40.078 > 95 97 Ca 0.05888074279372 0.67083953642986 0.08779202956189 40.078 > 97 98 Ca 0.55888074279372 0.67083953642986 0.08779202956189 40.078 > 97 99 Ca 0.44111925720628 0.17083953642986 0.41220797043811 40.078 > 99 100 Ca 0.94111925720628 0.17083953642986 0.41220797043811 40.078 > 99 101 Ca 0.44111925720628 0.32916046357014 0.91220797043811 40.078 > 101 102 Ca 0.94111925720628 0.32916046357014 0.91220797043811 40.078 > 101 103 Ca 0.05888074279372 0.82916046357014 0.58779202956189 40.078 > 103 104 Ca 0.55888074279372 0.82916046357014 0.58779202956189 40.078 > 103 105 Ca 0.31338906549779 0.69688417027789 0.10005424689994 40.078 > 105 106 Ca 0.81338906549779 0.69688417027789 0.10005424689994 40.078 > 105 107 Ca 0.18661093450221 0.19688417027789 0.39994575310006 40.078 > 107 108 Ca 0.68661093450221 0.19688417027789 0.39994575310006 40.078 > 107 109 Ca 0.18661093450221 0.30311582972211 0.89994575310006 40.078 > 109 110 Ca 0.68661093450221 0.30311582972211 0.89994575310006 40.078 > 109 111 Ca 0.31338906549779 0.80311582972211 0.60005424689994 40.078 > 111 112 Ca 0.81338906549779 0.80311582972211 0.60005424689994 40.078 > 111 113 Hf 0.06052585925734 0.43732299349536 0.61544233927733 178.490 > 113 114 Hf 0.56052585925734 0.43732299349536 0.61544233927733 178.490 > 113 115 Hf 0.43947414074266 0.93732299349536 0.88455766072267 178.490 > 115 116 Hf 0.93947414074266 0.93732299349536 0.88455766072267 178.490 > 115 117 Hf 0.43947414074266 0.56267700650464 0.38455766072267 178.490 > 117 118 Hf 0.93947414074266 0.56267700650464 0.38455766072267 178.490 > 117 119 Hf 0.06052585925734 0.06267700650464 0.11544233927733 178.490 > 119 120 Hf 0.56052585925734 0.06267700650464 0.11544233927733 178.490 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3453557 0.0000000 0.0100176 0.0000000 3.2744530 0.0000000 0.0100203 0.0000000 3.3229565 -------------------------- Born effective charges -------------------------- 1 O -2.7754176 0.2079566 0.5672862 0.3687492 -1.9477331 -0.2644341 0.5377649 -0.0681365 -1.9616647 2 O -2.7754176 -0.2079566 0.5672862 -0.3687492 -1.9477331 0.2644341 0.5377649 0.0681365 -1.9616647 3 O -2.7754176 0.2079566 0.5672862 0.3687492 -1.9477331 -0.2644341 0.5377649 -0.0681365 -1.9616647 4 O -2.7754176 -0.2079566 0.5672862 -0.3687492 -1.9477331 0.2644341 0.5377649 0.0681365 -1.9616647 5 O -2.1709659 -0.0244020 -0.5891034 0.0347642 -2.3769744 -0.2540240 -0.5489581 -0.3124954 -2.1407530 6 O -2.1709659 0.0244020 -0.5891034 -0.0347642 -2.3769744 0.2540240 -0.5489581 0.3124954 -2.1407530 7 O -2.1709659 -0.0244020 -0.5891034 0.0347642 -2.3769744 -0.2540240 -0.5489581 -0.3124954 -2.1407530 8 O -2.1709659 0.0244020 -0.5891034 -0.0347642 -2.3769744 0.2540240 -0.5489581 0.3124954 -2.1407530 9 O -1.7592501 0.0619989 0.0632903 0.0357825 -1.5610686 0.1655021 0.0586534 0.1962616 -2.3471045 10 O -1.7592501 -0.0619989 0.0632903 -0.0357825 -1.5610686 -0.1655021 0.0586534 -0.1962616 -2.3471045 11 O -1.7592501 0.0619989 0.0632903 0.0357825 -1.5610686 0.1655021 0.0586534 0.1962616 -2.3471045 12 O -1.7592501 -0.0619989 0.0632903 -0.0357825 -1.5610686 -0.1655021 0.0586534 -0.1962616 -2.3471045 13 O -1.9602038 0.6252122 -0.7765061 0.4848261 -2.1325628 0.4499972 -0.7058811 0.4754818 -2.0895133 14 O -1.9602038 -0.6252122 -0.7765061 -0.4848261 -2.1325628 -0.4499972 -0.7058811 -0.4754818 -2.0895133 15 O -1.6252434 -0.0764325 -0.0791989 -0.0476161 -1.6417855 0.1270286 -0.0734912 0.1786369 -2.2893579 16 O -1.9602038 0.6252122 -0.7765061 0.4848261 -2.1325628 0.4499972 -0.7058811 0.4754818 -2.0895133 17 O -1.7554154 0.2105362 -0.1315146 0.1300735 -2.0157863 0.1243655 -0.0924206 0.1058456 -1.9481382 18 O -1.7554154 -0.2105362 -0.1315146 -0.1300735 -2.0157863 -0.1243655 -0.0924206 -0.1058456 -1.9481382 19 O -1.7554154 0.2105362 -0.1315146 0.1300735 -2.0157863 0.1243655 -0.0924206 0.1058456 -1.9481382 20 O -1.7554154 -0.2105362 -0.1315146 -0.1300735 -2.0157863 -0.1243655 -0.0924206 -0.1058456 -1.9481382 21 O -1.4456137 -0.2455124 0.0796378 -0.1578872 -2.6451041 -0.3007074 0.0845251 -0.3609030 -1.9420871 22 O -1.4456137 0.2455124 0.0796378 0.1578872 -2.6451041 0.3007074 0.0845251 0.3609030 -1.9420871 23 O -1.4456137 -0.2455124 0.0796378 -0.1578872 -2.6451041 -0.3007074 0.0845251 -0.3609030 -1.9420871 24 O -1.4456137 0.2455124 0.0796378 0.1578872 -2.6451041 0.3007074 0.0845251 0.3609030 -1.9420871 25 O -2.9716210 0.0795040 0.0077586 0.0480296 -1.4324200 -0.1807185 -0.0858169 -0.2007648 -1.4427139 26 O -2.9716210 -0.0795040 0.0077586 -0.0480296 -1.4324200 0.1807185 -0.0858169 0.2007648 -1.4427139 27 O -2.9716210 0.0795040 0.0077586 0.0480296 -1.4324200 -0.1807185 -0.0858169 -0.2007648 -1.4427139 28 O -2.9716210 -0.0795040 0.0077586 -0.0480296 -1.4324200 0.1807185 -0.0858169 0.2007648 -1.4427139 29 O -2.1094616 -0.4922408 0.6893816 -0.4194156 -2.0037783 0.4696533 0.6260029 0.4944615 -2.1447840 30 O -2.1094616 0.4922408 0.6893816 0.4194156 -2.0037783 -0.4696533 0.6260029 -0.4944615 -2.1447840 31 O -2.1094616 -0.4922408 0.6893816 -0.4194156 -2.0037783 0.4696533 0.6260029 0.4944615 -2.1447840 32 O -2.1094616 0.4922408 0.6893816 0.4194156 -2.0037783 -0.4696533 0.6260029 -0.4944615 -2.1447840 33 O -1.6252434 0.0764325 -0.0791989 0.0476161 -1.6417855 -0.1270286 -0.0734912 -0.1786369 -2.2893579 34 O -1.6252434 -0.0764325 -0.0791989 -0.0476161 -1.6417855 0.1270286 -0.0734912 0.1786369 -2.2893579 35 O -1.6252434 0.0764325 -0.0791989 0.0476161 -1.6417855 -0.1270286 -0.0734912 -0.1786369 -2.2893579 36 O -1.9602038 -0.6252122 -0.7765061 -0.4848261 -2.1325628 -0.4499972 -0.7058811 -0.4754818 -2.0895133 37 Si 3.1110695 -0.2452409 -0.0480950 -0.1807277 3.1512323 -0.2476137 0.0798964 -0.4493910 2.9804855 38 Si 3.1110695 0.2452409 -0.0480950 0.1807277 3.1512323 0.2476137 0.0798964 0.4493910 2.9804855 39 Si 3.1110695 -0.2452409 -0.0480950 -0.1807277 3.1512323 -0.2476137 0.0798964 -0.4493910 2.9804855 40 Si 3.1110695 0.2452409 -0.0480950 0.1807277 3.1512323 0.2476137 0.0798964 0.4493910 2.9804855 41 Si 2.9167988 0.1790365 0.0764771 0.0222264 3.3155342 -0.2118475 0.0660036 -0.5365000 3.0415664 42 Si 2.9167988 -0.1790365 0.0764771 -0.0222264 3.3155342 0.2118475 0.0660036 0.5365000 3.0415664 43 Si 2.9167988 0.1790365 0.0764771 0.0222264 3.3155342 -0.2118475 0.0660036 -0.5365000 3.0415664 44 Si 2.9167988 -0.1790365 0.0764771 -0.0222264 3.3155342 0.2118475 0.0660036 0.5365000 3.0415664 45 Ca 2.5693812 -0.2796871 -0.0488735 -0.1512334 2.3789328 0.1597805 -0.0342205 0.2386033 2.1588294 46 Ca 2.5693812 0.2796871 -0.0488735 0.1512334 2.3789328 -0.1597805 -0.0342205 -0.2386033 2.1588294 47 Ca 2.5693812 -0.2796871 -0.0488735 -0.1512334 2.3789328 0.1597805 -0.0342205 0.2386033 2.1588294 48 Ca 2.5693812 0.2796871 -0.0488735 0.1512334 2.3789328 -0.1597805 -0.0342205 -0.2386033 2.1588294 49 Ca 2.5091355 0.0832724 0.0335898 0.1146278 2.5352749 -0.2542422 0.0181929 -0.1576444 2.4966048 50 Ca 2.5091355 -0.0832724 0.0335898 -0.1146278 2.5352749 0.2542422 0.0181929 0.1576444 2.4966048 51 Ca 2.5091355 0.0832724 0.0335898 0.1146278 2.5352749 -0.2542422 0.0181929 -0.1576444 2.4966048 52 Ca 2.5091355 -0.0832724 0.0335898 -0.1146278 2.5352749 0.2542422 0.0181929 0.1576444 2.4966048 53 Ca 2.3749421 0.0056841 -0.0836369 -0.0976018 2.3102542 -0.2157201 0.0284603 -0.1485928 2.6650561 54 Ca 2.3749421 -0.0056841 -0.0836369 0.0976018 2.3102542 0.2157201 0.0284603 0.1485928 2.6650561 55 Ca 2.3749421 0.0056841 -0.0836369 -0.0976018 2.3102542 -0.2157201 0.0284603 -0.1485928 2.6650561 56 Ca 2.3749421 -0.0056841 -0.0836369 0.0976018 2.3102542 0.2157201 0.0284603 0.1485928 2.6650561 57 Hf 5.0918653 -0.4152889 0.2395069 -0.3966380 4.0659845 -0.2011495 0.0412891 -0.3991384 4.9635744 58 Hf 5.0918653 0.4152889 0.2395069 0.3966380 4.0659845 0.2011495 0.0412891 0.3991384 4.9635744 59 Hf 5.0918653 -0.4152889 0.2395069 -0.3966380 4.0659845 -0.2011495 0.0412891 -0.3991384 4.9635744 60 Hf 5.0918653 0.4152889 0.2395069 0.3966380 4.0659845 0.2011495 0.0412891 0.3991384 4.9635744 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:07:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.337062020005730 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): 1 O 0.65931117353974 0.60889288988225 0.48375144461057 15.999 2 O 0.34068882646026 0.10889288988225 0.01624855538943 15.999 3 O 0.34068882646026 0.39110711011775 0.51624855538943 15.999 4 O 0.65931117353974 0.89110711011775 0.98375144461057 15.999 5 O 0.09312589197708 0.88847864197560 0.01199863550168 15.999 6 O 0.90687410802292 0.38847864197560 0.48800136449831 15.999 7 O 0.90687410802292 0.11152135802440 0.98800136449831 15.999 8 O 0.09312589197708 0.61152135802440 0.51199863550169 15.999 9 O 0.37885163278937 0.83002007157371 0.45969566796827 15.999 10 O 0.62114836721063 0.33002007157371 0.04030433203173 15.999 11 O 0.62114836721063 0.16997992842629 0.54030433203173 15.999 12 O 0.37885163278937 0.66997992842629 0.95969566796827 15.999 13 O 0.30064422012678 0.99910109541997 0.26206656471313 15.999 14 O 0.69935577987322 0.49910109541997 0.23793343528687 15.999 15 O 0.14441406330192 0.11374590781540 0.52796277133457 15.999 16 O 0.69935577987322 0.00089890458003 0.73793343528687 15.999 17 O 0.35475311534171 0.76904120837024 0.72377816838927 15.999 18 O 0.64524688465829 0.26904120837024 0.77622183161073 15.999 19 O 0.64524688465829 0.23095879162976 0.27622183161073 15.999 20 O 0.35475311534171 0.73095879162976 0.22377816838927 15.999 21 O 0.10396396864795 0.23371406652357 0.23953170912065 15.999 22 O 0.89603603135205 0.73371406652357 0.26046829087935 15.999 23 O 0.89603603135205 0.76628593347643 0.76046829087935 15.999 24 O 0.10396396864795 0.26628593347643 0.73953170912065 15.999 25 O 0.61537723299344 0.60653396774179 0.77035516539241 15.999 26 O 0.38462276700656 0.10653396774179 0.72964483460759 15.999 27 O 0.38462276700656 0.39346603225821 0.22964483460759 15.999 28 O 0.61537723299344 0.89346603225821 0.27035516539241 15.999 29 O 0.08480066061755 0.99519794730195 0.75524048465904 15.999 30 O 0.91519933938245 0.49519794730195 0.74475951534096 15.999 31 O 0.91519933938245 0.00480205269805 0.24475951534096 15.999 32 O 0.08480066061755 0.50480205269805 0.25524048465904 15.999 33 O 0.14441406330192 0.38625409218460 0.02796277133457 15.999 34 O 0.85558593669809 0.88625409218460 0.47203722866543 15.999 35 O 0.85558593669809 0.61374590781540 0.97203722866543 15.999 36 O 0.30064422012678 0.50089890458003 0.76206656471313 15.999 37 Si 0.39940949561984 0.86311440116101 0.30830063956846 28.085 38 Si 0.60059050438017 0.36311440116101 0.19169936043154 28.085 39 Si 0.60059050438017 0.13688559883899 0.69169936043154 28.085 40 Si 0.39940949561984 0.63688559883899 0.80830063956846 28.085 41 Si 0.83242972838922 0.87670459230555 0.31772285371258 28.085 42 Si 0.16757027161078 0.37670459230555 0.18227714628742 28.085 43 Si 0.16757027161078 0.12329540769445 0.68227714628742 28.085 44 Si 0.83242972838922 0.62329540769445 0.81772285371258 28.085 45 Ca 0.63654673321637 0.07867240776342 0.11046573081193 40.078 46 Ca 0.36345326678363 0.57867240776342 0.38953426918807 40.078 47 Ca 0.36345326678363 0.92132759223658 0.88953426918807 40.078 48 Ca 0.63654673321637 0.42132759223658 0.61046573081193 40.078 49 Ca 0.11776148558744 0.67083953642986 0.08779202956189 40.078 50 Ca 0.88223851441256 0.17083953642986 0.41220797043811 40.078 51 Ca 0.88223851441256 0.32916046357014 0.91220797043811 40.078 52 Ca 0.11776148558744 0.82916046357014 0.58779202956189 40.078 53 Ca 0.62677813099558 0.69688417027789 0.10005424689994 40.078 54 Ca 0.37322186900442 0.19688417027789 0.39994575310006 40.078 55 Ca 0.37322186900442 0.30311582972211 0.89994575310006 40.078 56 Ca 0.62677813099558 0.80311582972211 0.60005424689994 40.078 57 Hf 0.12105171851467 0.43732299349536 0.61544233927733 178.490 58 Hf 0.87894828148533 0.93732299349536 0.88455766072267 178.490 59 Hf 0.87894828148533 0.56267700650464 0.38455766072267 178.490 60 Hf 0.12105171851467 0.06267700650464 0.11544233927733 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.674124040011460 0.000000000000000 0.000000000000000 b 0.000000000000000 10.125330060000000 0.000000000000000 c -0.232409794548270 0.000000000000000 10.365861960478290 Atomic positions (fractional): 1 O 0.32965558676987 0.60889288988225 0.48375144461057 15.999 > 1 2 O 0.82965558676987 0.60889288988225 0.48375144461057 15.999 > 1 3 O 0.17034441323013 0.10889288988225 0.01624855538943 15.999 > 3 4 O 0.67034441323013 0.10889288988225 0.01624855538943 15.999 > 3 5 O 0.17034441323013 0.39110711011775 0.51624855538943 15.999 > 5 6 O 0.67034441323013 0.39110711011775 0.51624855538943 15.999 > 5 7 O 0.32965558676987 0.89110711011775 0.98375144461057 15.999 > 7 8 O 0.82965558676987 0.89110711011775 0.98375144461057 15.999 > 7 9 O 0.04656294598854 0.88847864197560 0.01199863550168 15.999 > 9 10 O 0.54656294598854 0.88847864197560 0.01199863550168 15.999 > 9 11 O 0.45343705401146 0.38847864197560 0.48800136449831 15.999 > 11 12 O 0.95343705401146 0.38847864197560 0.48800136449831 15.999 > 11 13 O 0.45343705401146 0.11152135802440 0.98800136449831 15.999 > 13 14 O 0.95343705401146 0.11152135802440 0.98800136449831 15.999 > 13 15 O 0.04656294598854 0.61152135802440 0.51199863550169 15.999 > 15 16 O 0.54656294598854 0.61152135802440 0.51199863550169 15.999 > 15 17 O 0.18942581639469 0.83002007157371 0.45969566796827 15.999 > 17 18 O 0.68942581639469 0.83002007157371 0.45969566796827 15.999 > 17 19 O 0.31057418360531 0.33002007157371 0.04030433203173 15.999 > 19 20 O 0.81057418360531 0.33002007157371 0.04030433203173 15.999 > 19 21 O 0.31057418360531 0.16997992842629 0.54030433203173 15.999 > 21 22 O 0.81057418360531 0.16997992842629 0.54030433203173 15.999 > 21 23 O 0.18942581639469 0.66997992842629 0.95969566796827 15.999 > 23 24 O 0.68942581639469 0.66997992842629 0.95969566796827 15.999 > 23 25 O 0.15032211006339 0.99910109541997 0.26206656471313 15.999 > 25 26 O 0.65032211006339 0.99910109541997 0.26206656471313 15.999 > 25 27 O 0.34967788993661 0.49910109541997 0.23793343528687 15.999 > 27 28 O 0.84967788993661 0.49910109541997 0.23793343528687 15.999 > 27 29 O 0.07220703165096 0.11374590781540 0.52796277133457 15.999 > 29 30 O 0.57220703165096 0.11374590781540 0.52796277133457 15.999 > 29 31 O 0.34967788993661 0.00089890458003 0.73793343528687 15.999 > 31 32 O 0.84967788993661 0.00089890458003 0.73793343528687 15.999 > 31 33 O 0.17737655767085 0.76904120837024 0.72377816838927 15.999 > 33 34 O 0.67737655767085 0.76904120837024 0.72377816838927 15.999 > 33 35 O 0.32262344232915 0.26904120837024 0.77622183161073 15.999 > 35 36 O 0.82262344232915 0.26904120837024 0.77622183161073 15.999 > 35 37 O 0.32262344232915 0.23095879162976 0.27622183161073 15.999 > 37 38 O 0.82262344232915 0.23095879162976 0.27622183161073 15.999 > 37 39 O 0.17737655767085 0.73095879162976 0.22377816838927 15.999 > 39 40 O 0.67737655767085 0.73095879162976 0.22377816838927 15.999 > 39 41 O 0.05198198432397 0.23371406652357 0.23953170912065 15.999 > 41 42 O 0.55198198432397 0.23371406652357 0.23953170912065 15.999 > 41 43 O 0.44801801567603 0.73371406652357 0.26046829087935 15.999 > 43 44 O 0.94801801567603 0.73371406652357 0.26046829087935 15.999 > 43 45 O 0.44801801567603 0.76628593347643 0.76046829087935 15.999 > 45 46 O 0.94801801567603 0.76628593347643 0.76046829087935 15.999 > 45 47 O 0.05198198432397 0.26628593347643 0.73953170912065 15.999 > 47 48 O 0.55198198432397 0.26628593347643 0.73953170912065 15.999 > 47 49 O 0.30768861649672 0.60653396774179 0.77035516539241 15.999 > 49 50 O 0.80768861649672 0.60653396774179 0.77035516539241 15.999 > 49 51 O 0.19231138350328 0.10653396774179 0.72964483460759 15.999 > 51 52 O 0.69231138350328 0.10653396774179 0.72964483460759 15.999 > 51 53 O 0.19231138350328 0.39346603225821 0.22964483460759 15.999 > 53 54 O 0.69231138350328 0.39346603225821 0.22964483460759 15.999 > 53 55 O 0.30768861649672 0.89346603225821 0.27035516539241 15.999 > 55 56 O 0.80768861649672 0.89346603225821 0.27035516539241 15.999 > 55 57 O 0.04240033030878 0.99519794730195 0.75524048465904 15.999 > 57 58 O 0.54240033030878 0.99519794730195 0.75524048465904 15.999 > 57 59 O 0.45759966969122 0.49519794730195 0.74475951534096 15.999 > 59 60 O 0.95759966969122 0.49519794730195 0.74475951534096 15.999 > 59 61 O 0.45759966969122 0.00480205269805 0.24475951534096 15.999 > 61 62 O 0.95759966969122 0.00480205269805 0.24475951534096 15.999 > 61 63 O 0.04240033030878 0.50480205269805 0.25524048465904 15.999 > 63 64 O 0.54240033030878 0.50480205269805 0.25524048465904 15.999 > 63 65 O 0.07220703165096 0.38625409218460 0.02796277133457 15.999 > 65 66 O 0.57220703165096 0.38625409218460 0.02796277133457 15.999 > 65 67 O 0.42779296834904 0.88625409218460 0.47203722866543 15.999 > 67 68 O 0.92779296834904 0.88625409218460 0.47203722866543 15.999 > 67 69 O 0.42779296834904 0.61374590781540 0.97203722866543 15.999 > 69 70 O 0.92779296834904 0.61374590781540 0.97203722866543 15.999 > 69 71 O 0.15032211006339 0.50089890458003 0.76206656471313 15.999 > 71 72 O 0.65032211006339 0.50089890458003 0.76206656471313 15.999 > 71 73 Si 0.19970474780992 0.86311440116101 0.30830063956846 28.085 > 73 74 Si 0.69970474780992 0.86311440116101 0.30830063956846 28.085 > 73 75 Si 0.30029525219008 0.36311440116101 0.19169936043154 28.085 > 75 76 Si 0.80029525219008 0.36311440116101 0.19169936043154 28.085 > 75 77 Si 0.30029525219008 0.13688559883899 0.69169936043154 28.085 > 77 78 Si 0.80029525219008 0.13688559883899 0.69169936043154 28.085 > 77 79 Si 0.19970474780992 0.63688559883899 0.80830063956846 28.085 > 79 80 Si 0.69970474780992 0.63688559883899 0.80830063956846 28.085 > 79 81 Si 0.41621486419461 0.87670459230555 0.31772285371258 28.085 > 81 82 Si 0.91621486419461 0.87670459230555 0.31772285371258 28.085 > 81 83 Si 0.08378513580539 0.37670459230555 0.18227714628742 28.085 > 83 84 Si 0.58378513580539 0.37670459230555 0.18227714628742 28.085 > 83 85 Si 0.08378513580539 0.12329540769445 0.68227714628742 28.085 > 85 86 Si 0.58378513580539 0.12329540769445 0.68227714628742 28.085 > 85 87 Si 0.41621486419461 0.62329540769445 0.81772285371258 28.085 > 87 88 Si 0.91621486419461 0.62329540769445 0.81772285371258 28.085 > 87 89 Ca 0.31827336660818 0.07867240776342 0.11046573081193 40.078 > 89 90 Ca 0.81827336660818 0.07867240776342 0.11046573081193 40.078 > 89 91 Ca 0.18172663339182 0.57867240776342 0.38953426918807 40.078 > 91 92 Ca 0.68172663339182 0.57867240776342 0.38953426918807 40.078 > 91 93 Ca 0.18172663339182 0.92132759223658 0.88953426918807 40.078 > 93 94 Ca 0.68172663339182 0.92132759223658 0.88953426918807 40.078 > 93 95 Ca 0.31827336660818 0.42132759223658 0.61046573081193 40.078 > 95 96 Ca 0.81827336660818 0.42132759223658 0.61046573081193 40.078 > 95 97 Ca 0.05888074279372 0.67083953642986 0.08779202956189 40.078 > 97 98 Ca 0.55888074279372 0.67083953642986 0.08779202956189 40.078 > 97 99 Ca 0.44111925720628 0.17083953642986 0.41220797043811 40.078 > 99 100 Ca 0.94111925720628 0.17083953642986 0.41220797043811 40.078 > 99 101 Ca 0.44111925720628 0.32916046357014 0.91220797043811 40.078 > 101 102 Ca 0.94111925720628 0.32916046357014 0.91220797043811 40.078 > 101 103 Ca 0.05888074279372 0.82916046357014 0.58779202956189 40.078 > 103 104 Ca 0.55888074279372 0.82916046357014 0.58779202956189 40.078 > 103 105 Ca 0.31338906549779 0.69688417027789 0.10005424689994 40.078 > 105 106 Ca 0.81338906549779 0.69688417027789 0.10005424689994 40.078 > 105 107 Ca 0.18661093450221 0.19688417027789 0.39994575310006 40.078 > 107 108 Ca 0.68661093450221 0.19688417027789 0.39994575310006 40.078 > 107 109 Ca 0.18661093450221 0.30311582972211 0.89994575310006 40.078 > 109 110 Ca 0.68661093450221 0.30311582972211 0.89994575310006 40.078 > 109 111 Ca 0.31338906549779 0.80311582972211 0.60005424689994 40.078 > 111 112 Ca 0.81338906549779 0.80311582972211 0.60005424689994 40.078 > 111 113 Hf 0.06052585925734 0.43732299349536 0.61544233927733 178.490 > 113 114 Hf 0.56052585925734 0.43732299349536 0.61544233927733 178.490 > 113 115 Hf 0.43947414074266 0.93732299349536 0.88455766072267 178.490 > 115 116 Hf 0.93947414074266 0.93732299349536 0.88455766072267 178.490 > 115 117 Hf 0.43947414074266 0.56267700650464 0.38455766072267 178.490 > 117 118 Hf 0.93947414074266 0.56267700650464 0.38455766072267 178.490 > 117 119 Hf 0.06052585925734 0.06267700650464 0.11544233927733 178.490 > 119 120 Hf 0.56052585925734 0.06267700650464 0.11544233927733 178.490 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3453557 0.0000000 0.0100176 0.0000000 3.2744530 0.0000000 0.0100203 0.0000000 3.3229565 -------------------------- Born effective charges -------------------------- 1 O -2.7754176 0.2079566 0.5672862 0.3687492 -1.9477331 -0.2644341 0.5377649 -0.0681365 -1.9616647 2 O -2.7754176 -0.2079566 0.5672862 -0.3687492 -1.9477331 0.2644341 0.5377649 0.0681365 -1.9616647 3 O -2.7754176 0.2079566 0.5672862 0.3687492 -1.9477331 -0.2644341 0.5377649 -0.0681365 -1.9616647 4 O -2.7754176 -0.2079566 0.5672862 -0.3687492 -1.9477331 0.2644341 0.5377649 0.0681365 -1.9616647 5 O -2.1709659 -0.0244020 -0.5891034 0.0347642 -2.3769744 -0.2540240 -0.5489581 -0.3124954 -2.1407530 6 O -2.1709659 0.0244020 -0.5891034 -0.0347642 -2.3769744 0.2540240 -0.5489581 0.3124954 -2.1407530 7 O -2.1709659 -0.0244020 -0.5891034 0.0347642 -2.3769744 -0.2540240 -0.5489581 -0.3124954 -2.1407530 8 O -2.1709659 0.0244020 -0.5891034 -0.0347642 -2.3769744 0.2540240 -0.5489581 0.3124954 -2.1407530 9 O -1.7592501 0.0619989 0.0632903 0.0357825 -1.5610686 0.1655021 0.0586534 0.1962616 -2.3471045 10 O -1.7592501 -0.0619989 0.0632903 -0.0357825 -1.5610686 -0.1655021 0.0586534 -0.1962616 -2.3471045 11 O -1.7592501 0.0619989 0.0632903 0.0357825 -1.5610686 0.1655021 0.0586534 0.1962616 -2.3471045 12 O -1.7592501 -0.0619989 0.0632903 -0.0357825 -1.5610686 -0.1655021 0.0586534 -0.1962616 -2.3471045 13 O -1.9602038 0.6252122 -0.7765061 0.4848261 -2.1325628 0.4499972 -0.7058811 0.4754818 -2.0895133 14 O -1.9602038 -0.6252122 -0.7765061 -0.4848261 -2.1325628 -0.4499972 -0.7058811 -0.4754818 -2.0895133 15 O -1.6252434 -0.0764325 -0.0791989 -0.0476161 -1.6417855 0.1270286 -0.0734912 0.1786369 -2.2893579 16 O -1.9602038 0.6252122 -0.7765061 0.4848261 -2.1325628 0.4499972 -0.7058811 0.4754818 -2.0895133 17 O -1.7554154 0.2105362 -0.1315146 0.1300735 -2.0157863 0.1243655 -0.0924206 0.1058456 -1.9481382 18 O -1.7554154 -0.2105362 -0.1315146 -0.1300735 -2.0157863 -0.1243655 -0.0924206 -0.1058456 -1.9481382 19 O -1.7554154 0.2105362 -0.1315146 0.1300735 -2.0157863 0.1243655 -0.0924206 0.1058456 -1.9481382 20 O -1.7554154 -0.2105362 -0.1315146 -0.1300735 -2.0157863 -0.1243655 -0.0924206 -0.1058456 -1.9481382 21 O -1.4456137 -0.2455124 0.0796378 -0.1578872 -2.6451041 -0.3007074 0.0845251 -0.3609030 -1.9420871 22 O -1.4456137 0.2455124 0.0796378 0.1578872 -2.6451041 0.3007074 0.0845251 0.3609030 -1.9420871 23 O -1.4456137 -0.2455124 0.0796378 -0.1578872 -2.6451041 -0.3007074 0.0845251 -0.3609030 -1.9420871 24 O -1.4456137 0.2455124 0.0796378 0.1578872 -2.6451041 0.3007074 0.0845251 0.3609030 -1.9420871 25 O -2.9716210 0.0795040 0.0077586 0.0480296 -1.4324200 -0.1807185 -0.0858169 -0.2007648 -1.4427139 26 O -2.9716210 -0.0795040 0.0077586 -0.0480296 -1.4324200 0.1807185 -0.0858169 0.2007648 -1.4427139 27 O -2.9716210 0.0795040 0.0077586 0.0480296 -1.4324200 -0.1807185 -0.0858169 -0.2007648 -1.4427139 28 O -2.9716210 -0.0795040 0.0077586 -0.0480296 -1.4324200 0.1807185 -0.0858169 0.2007648 -1.4427139 29 O -2.1094616 -0.4922408 0.6893816 -0.4194156 -2.0037783 0.4696533 0.6260029 0.4944615 -2.1447840 30 O -2.1094616 0.4922408 0.6893816 0.4194156 -2.0037783 -0.4696533 0.6260029 -0.4944615 -2.1447840 31 O -2.1094616 -0.4922408 0.6893816 -0.4194156 -2.0037783 0.4696533 0.6260029 0.4944615 -2.1447840 32 O -2.1094616 0.4922408 0.6893816 0.4194156 -2.0037783 -0.4696533 0.6260029 -0.4944615 -2.1447840 33 O -1.6252434 0.0764325 -0.0791989 0.0476161 -1.6417855 -0.1270286 -0.0734912 -0.1786369 -2.2893579 34 O -1.6252434 -0.0764325 -0.0791989 -0.0476161 -1.6417855 0.1270286 -0.0734912 0.1786369 -2.2893579 35 O -1.6252434 0.0764325 -0.0791989 0.0476161 -1.6417855 -0.1270286 -0.0734912 -0.1786369 -2.2893579 36 O -1.9602038 -0.6252122 -0.7765061 -0.4848261 -2.1325628 -0.4499972 -0.7058811 -0.4754818 -2.0895133 37 Si 3.1110695 -0.2452409 -0.0480950 -0.1807277 3.1512323 -0.2476137 0.0798964 -0.4493910 2.9804855 38 Si 3.1110695 0.2452409 -0.0480950 0.1807277 3.1512323 0.2476137 0.0798964 0.4493910 2.9804855 39 Si 3.1110695 -0.2452409 -0.0480950 -0.1807277 3.1512323 -0.2476137 0.0798964 -0.4493910 2.9804855 40 Si 3.1110695 0.2452409 -0.0480950 0.1807277 3.1512323 0.2476137 0.0798964 0.4493910 2.9804855 41 Si 2.9167988 0.1790365 0.0764771 0.0222264 3.3155342 -0.2118475 0.0660036 -0.5365000 3.0415664 42 Si 2.9167988 -0.1790365 0.0764771 -0.0222264 3.3155342 0.2118475 0.0660036 0.5365000 3.0415664 43 Si 2.9167988 0.1790365 0.0764771 0.0222264 3.3155342 -0.2118475 0.0660036 -0.5365000 3.0415664 44 Si 2.9167988 -0.1790365 0.0764771 -0.0222264 3.3155342 0.2118475 0.0660036 0.5365000 3.0415664 45 Ca 2.5693812 -0.2796871 -0.0488735 -0.1512334 2.3789328 0.1597805 -0.0342205 0.2386033 2.1588294 46 Ca 2.5693812 0.2796871 -0.0488735 0.1512334 2.3789328 -0.1597805 -0.0342205 -0.2386033 2.1588294 47 Ca 2.5693812 -0.2796871 -0.0488735 -0.1512334 2.3789328 0.1597805 -0.0342205 0.2386033 2.1588294 48 Ca 2.5693812 0.2796871 -0.0488735 0.1512334 2.3789328 -0.1597805 -0.0342205 -0.2386033 2.1588294 49 Ca 2.5091355 0.0832724 0.0335898 0.1146278 2.5352749 -0.2542422 0.0181929 -0.1576444 2.4966048 50 Ca 2.5091355 -0.0832724 0.0335898 -0.1146278 2.5352749 0.2542422 0.0181929 0.1576444 2.4966048 51 Ca 2.5091355 0.0832724 0.0335898 0.1146278 2.5352749 -0.2542422 0.0181929 -0.1576444 2.4966048 52 Ca 2.5091355 -0.0832724 0.0335898 -0.1146278 2.5352749 0.2542422 0.0181929 0.1576444 2.4966048 53 Ca 2.3749421 0.0056841 -0.0836369 -0.0976018 2.3102542 -0.2157201 0.0284603 -0.1485928 2.6650561 54 Ca 2.3749421 -0.0056841 -0.0836369 0.0976018 2.3102542 0.2157201 0.0284603 0.1485928 2.6650561 55 Ca 2.3749421 0.0056841 -0.0836369 -0.0976018 2.3102542 -0.2157201 0.0284603 -0.1485928 2.6650561 56 Ca 2.3749421 -0.0056841 -0.0836369 0.0976018 2.3102542 0.2157201 0.0284603 0.1485928 2.6650561 57 Hf 5.0918653 -0.4152889 0.2395069 -0.3966380 4.0659845 -0.2011495 0.0412891 -0.3991384 4.9635744 58 Hf 5.0918653 0.4152889 0.2395069 0.3966380 4.0659845 0.2011495 0.0412891 0.3991384 4.9635744 59 Hf 5.0918653 -0.4152889 0.2395069 -0.3966380 4.0659845 -0.2011495 0.0412891 -0.3991384 4.9635744 60 Hf 5.0918653 0.4152889 0.2395069 0.3966380 4.0659845 0.2011495 0.0412891 0.3991384 4.9635744 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 7 5 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: 0.45, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 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 2.291 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.608 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.987 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.805 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.498 ( 0.000 0.000 0.000) 0.000 12.684 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 13.009 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.075 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.280 ( 0.000 0.000 0.000) 0.000 13.757 ( 0.000 0.000 0.000) 0.000 13.907 ( 0.000 0.000 0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 0.000) 0.000 14.609 ( 0.000 0.000 0.000) 0.000 14.673 ( 0.000 0.000 0.000) 0.000 14.715 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 15.026 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 15.260 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.717 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.547 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 16.814 ( 0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 18.436 ( 0.000 0.000 0.000) 0.000 18.458 ( 0.000 0.000 0.000) 0.000 18.575 ( 0.000 0.000 0.000) 0.000 18.676 ( 0.000 0.000 0.000) 0.000 19.256 ( 0.000 0.000 0.000) 0.000 19.429 ( 0.000 0.000 0.000) 0.000 19.455 ( 0.000 0.000 0.000) 0.000 19.540 ( 0.000 0.000 0.000) 0.000 25.163 ( 0.000 0.000 0.000) 0.000 25.239 ( 0.000 0.000 0.000) 0.000 25.288 ( 0.000 0.000 0.000) 0.000 25.360 ( 0.000 0.000 0.000) 0.000 27.011 ( 0.000 0.000 0.000) 0.000 27.049 ( 0.000 0.000 0.000) 0.000 27.108 ( 0.000 0.000 0.000) 0.000 27.115 ( 0.000 0.000 0.000) 0.000 27.947 ( 0.000 0.000 0.000) 0.000 27.947 ( 0.000 0.000 0.000) 0.000 28.056 ( 0.000 0.000 0.000) 0.000 28.236 ( 0.000 0.000 0.000) 0.000 28.310 ( 0.000 0.000 0.000) 0.000 28.495 ( 0.000 0.000 0.000) 0.000 28.772 ( 0.000 0.000 0.000) 0.000 28.860 ( 0.000 0.000 0.000) 0.000 28.863 ( 0.000 0.000 0.000) 0.000 28.933 ( 0.000 0.000 0.000) 0.000 29.051 ( 0.000 0.000 0.000) 0.000 29.990 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 30.347 ( 0.000 0.000 0.000) 0.000 30.468 ( 0.000 0.000 0.000) 0.000 30.477 ( 0.000 0.000 0.000) 0.000 30.540 ( 0.000 0.000 0.000) 0.000 30.564 ( 0.000 0.000 0.000) 0.000 30.736 ( 0.000 0.000 0.000) 0.000 30.940 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 34.456 0.000 2.841) 34.573 0.707 ( 36.314 0.000 -2.944) 36.433 1.336 ( 63.942 0.000 12.809) 65.212 2.255 ( -4.630 0.000 -5.329) 7.060 2.513 ( 0.675 0.000 -1.829) 1.949 2.542 ( -6.143 0.000 3.414) 7.028 2.678 ( -2.144 0.000 6.664) 7.000 2.688 ( 1.465 0.000 -4.716) 4.939 2.696 ( 0.738 0.000 -6.648) 6.689 2.710 ( -2.345 0.000 2.411) 3.363 2.866 ( -19.724 0.000 -0.032) 19.724 3.031 ( 0.204 0.000 -10.459) 10.461 3.144 ( 9.126 0.000 4.963) 10.388 3.184 ( 5.515 0.000 3.705) 6.644 3.485 ( -1.721 0.000 -6.147) 6.383 3.584 ( 5.487 0.000 7.094) 8.969 3.595 ( 8.019 0.000 -0.671) 8.047 3.718 ( -2.143 0.000 6.848) 7.175 3.778 ( -3.097 0.000 -1.030) 3.264 3.896 ( 18.819 0.000 -3.343) 19.114 3.917 ( -2.704 0.000 8.910) 9.312 3.918 ( -2.153 0.000 -3.143) 3.809 4.042 ( 3.949 0.000 1.120) 4.105 4.106 ( 1.837 0.000 1.398) 2.308 4.201 ( 1.184 0.000 -6.221) 6.333 4.227 ( 5.154 0.000 -5.181) 7.308 4.256 ( 4.228 0.000 -9.438) 10.342 4.352 ( 4.184 0.000 1.731) 4.528 4.445 ( -2.171 0.000 -5.083) 5.527 4.472 ( 11.015 0.000 3.044) 11.428 4.546 ( 0.466 0.000 -2.220) 2.269 4.708 ( -3.912 0.000 -5.001) 6.349 4.776 ( -6.694 0.000 -0.904) 6.754 4.793 ( 5.457 0.000 -3.333) 6.394 4.822 ( 4.641 0.000 1.205) 4.795 4.899 ( 0.546 0.000 4.369) 4.403 4.970 ( 3.549 0.000 3.919) 5.287 5.070 ( 1.178 0.000 6.042) 6.156 5.141 ( -3.279 0.000 2.676) 4.232 5.158 ( -5.710 0.000 0.687) 5.751 5.218 ( 3.616 0.000 -4.634) 5.878 5.349 ( 1.712 0.000 0.213) 1.725 5.373 ( 5.049 0.000 2.286) 5.542 5.634 ( -7.524 0.000 -4.366) 8.699 5.685 ( -1.860 0.000 -3.320) 3.806 5.814 ( -2.112 0.000 -0.605) 2.197 5.855 ( 6.134 0.000 3.313) 6.971 5.950 ( -1.953 0.000 -2.740) 3.364 5.968 ( 9.945 0.000 0.080) 9.945 6.051 ( -4.885 0.000 3.227) 5.855 6.147 ( 1.207 0.000 -2.074) 2.400 6.332 ( -2.138 0.000 3.618) 4.203 6.550 ( -11.858 0.000 14.520) 18.747 6.626 ( 1.741 0.000 -7.799) 7.991 6.640 ( -6.349 0.000 -2.941) 6.997 6.788 ( -0.856 0.000 14.301) 14.326 6.803 ( 0.049 0.000 -6.301) 6.301 6.805 ( -4.905 0.000 -3.525) 6.041 6.977 ( 2.357 0.000 0.746) 2.472 7.034 ( -6.345 0.000 -5.800) 8.596 7.068 ( 3.320 0.000 3.260) 4.653 7.072 ( -1.678 0.000 -0.203) 1.691 7.181 ( -3.381 0.000 3.413) 4.805 7.452 ( -6.819 0.000 -7.656) 10.253 7.478 ( -2.555 0.000 -0.773) 2.669 7.544 ( 0.818 0.000 -0.030) 0.818 7.570 ( 3.950 0.000 6.303) 7.438 7.678 ( -3.491 0.000 0.401) 3.514 7.759 ( -4.188 0.000 4.300) 6.003 7.805 ( -4.114 0.000 -2.791) 4.971 7.958 ( -5.148 0.000 3.986) 6.511 8.005 ( -2.071 0.000 -7.113) 7.409 8.026 ( -1.099 0.000 -4.257) 4.396 8.190 ( -4.593 0.000 -4.552) 6.466 8.336 ( 0.312 0.000 -12.444) 12.448 8.426 ( 1.224 0.000 1.119) 1.658 8.564 ( -1.618 0.000 1.299) 2.075 8.598 ( -6.111 0.000 -3.035) 6.823 8.672 ( 3.581 0.000 4.793) 5.983 8.692 ( -1.489 0.000 -2.072) 2.552 8.812 ( 4.005 0.000 -2.742) 4.853 8.842 ( 5.649 0.000 3.725) 6.767 9.032 ( 1.892 0.000 0.634) 1.995 9.116 ( -2.073 0.000 17.775) 17.896 9.205 ( 1.578 0.000 -0.163) 1.587 9.280 ( -8.185 0.000 -9.925) 12.865 9.378 ( 6.100 0.000 -0.535) 6.123 9.409 ( -0.249 0.000 1.247) 1.271 9.666 ( 6.921 0.000 -7.505) 10.209 9.755 ( 2.540 0.000 4.905) 5.524 9.940 ( -8.105 0.000 -0.416) 8.116 9.997 ( 6.220 0.000 3.772) 7.274 10.059 ( -2.657 0.000 -1.247) 2.935 10.144 ( 0.655 0.000 -0.402) 0.768 10.226 ( 9.478 0.000 -3.373) 10.060 10.253 ( -1.581 0.000 3.214) 3.582 10.329 ( -5.061 0.000 2.673) 5.723 10.529 ( 0.297 0.000 0.915) 0.962 10.581 ( -2.940 0.000 -0.328) 2.958 10.586 ( -1.093 0.000 3.528) 3.693 10.945 ( -3.327 0.000 -6.892) 7.653 11.042 ( 4.724 0.000 -1.863) 5.078 11.104 ( -2.880 0.000 -6.354) 6.976 11.233 ( 3.146 0.000 -3.570) 4.759 11.313 ( -6.983 0.000 26.241) 27.155 11.627 ( -0.914 0.000 -0.612) 1.100 11.715 ( -9.528 0.000 7.084) 11.873 11.716 ( -8.071 0.000 -4.425) 9.204 11.780 ( -2.333 0.000 1.979) 3.060 12.010 ( -3.520 0.000 3.850) 5.216 12.020 ( 2.827 0.000 -3.801) 4.737 12.098 ( -0.911 0.000 -4.582) 4.672 12.441 ( -3.320 0.000 -1.041) 3.480 12.737 ( 4.025 0.000 0.050) 4.025 12.859 ( -3.789 0.000 2.588) 4.589 12.959 ( -4.734 0.000 1.790) 5.061 13.050 ( -3.013 0.000 -1.472) 3.354 13.220 ( 2.660 0.000 -5.261) 5.895 13.379 ( 9.471 0.000 2.979) 9.928 13.444 ( 20.028 0.000 6.641) 21.100 13.576 ( -7.137 0.000 -3.425) 7.916 13.635 ( 1.562 0.000 7.087) 7.257 13.997 ( -0.413 0.000 -2.247) 2.285 14.171 ( 4.744 0.000 -0.988) 4.845 14.230 ( 4.268 0.000 -1.826) 4.642 14.242 ( 10.857 0.000 4.056) 11.590 14.646 ( 1.818 0.000 -5.902) 6.175 14.664 ( 7.401 0.000 1.418) 7.536 14.772 ( 8.379 0.000 0.780) 8.415 14.945 ( -0.253 0.000 18.897) 18.899 14.956 ( -0.567 0.000 0.522) 0.771 15.072 ( 3.063 0.000 2.266) 3.810 15.158 ( 2.817 0.000 -4.367) 5.197 15.487 ( -4.372 0.000 2.642) 5.108 15.536 ( 4.706 0.000 -0.168) 4.709 15.635 ( 0.155 0.000 9.891) 9.892 16.113 ( -2.675 0.000 1.695) 3.167 16.216 ( 1.561 0.000 3.165) 3.529 16.422 ( -1.037 0.000 1.011) 1.449 16.542 ( 0.182 0.000 0.526) 0.556 16.577 ( 2.830 0.000 -5.039) 5.779 16.889 ( 7.027 0.000 -3.105) 7.682 16.948 ( 1.810 0.000 2.189) 2.840 17.206 ( -2.620 0.000 -4.370) 5.095 18.416 ( -2.035 0.000 0.039) 2.035 18.432 ( -2.836 0.000 -2.272) 3.634 18.621 ( -5.365 0.000 3.068) 6.180 18.722 ( -5.262 0.000 -27.284) 27.787 19.188 ( -6.579 0.000 0.679) 6.614 19.352 ( -7.657 0.000 -0.280) 7.662 19.468 ( -6.864 0.000 -0.385) 6.875 19.488 ( -0.444 0.000 -0.289) 0.530 25.096 ( -2.825 0.000 -0.134) 2.828 25.359 ( -0.006 0.000 0.001) 0.006 25.387 ( 10.531 0.000 -0.891) 10.569 26.210 ( 4.275 0.000 -3.647) 5.619 26.984 ( -2.697 0.000 1.321) 3.003 27.096 ( -1.624 0.000 -1.005) 1.909 27.096 ( -0.791 0.000 -1.029) 1.298 27.128 ( 0.290 0.000 14.303) 14.306 27.947 ( 0.033 0.000 -3.808) 3.808 27.951 ( 0.451 0.000 0.033) 0.453 28.091 ( 1.568 0.000 -4.791) 5.041 28.226 ( -0.942 0.000 -0.407) 1.026 28.356 ( 4.090 0.000 -0.228) 4.096 28.755 ( -3.526 0.000 16.235) 16.613 28.807 ( 4.043 0.000 0.038) 4.043 28.935 ( 6.414 0.000 -2.475) 6.875 28.970 ( 7.708 0.000 6.616) 10.158 29.093 ( 4.979 0.000 2.460) 5.554 29.202 ( 3.280 0.000 -28.965) 29.150 29.964 ( -2.656 0.000 -2.167) 3.428 30.162 ( -10.461 0.000 0.436) 10.470 30.336 ( -0.326 0.000 0.107) 0.343 30.400 ( -7.066 0.000 -4.349) 8.298 30.489 ( -4.823 0.000 -3.277) 5.830 30.542 ( -3.786 0.000 6.390) 7.427 30.742 ( 1.458 0.000 -3.248) 3.560 30.882 ( 2.768 0.000 -16.451) 16.683 31.213 ( -1.545 0.000 31.887) 31.925 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 29.188 0.000 1.521) 29.228 1.387 ( 32.416 0.000 -1.692) 32.460 2.105 ( -9.848 0.000 -1.204) 9.921 2.233 ( -18.906 0.000 0.128) 18.906 2.326 ( 22.950 0.000 7.606) 24.177 2.476 ( -3.597 0.000 -4.491) 5.754 2.585 ( 6.480 0.000 0.140) 6.481 2.621 ( -2.899 0.000 3.121) 4.259 2.725 ( 3.032 0.000 5.229) 6.045 2.736 ( 0.558 0.000 -5.299) 5.329 2.799 ( 7.237 0.000 -1.405) 7.372 3.190 ( 11.583 0.000 -6.925) 13.496 3.279 ( 6.855 0.000 0.194) 6.858 3.304 ( 4.817 0.000 1.994) 5.213 3.482 ( 0.404 0.000 -6.336) 6.349 3.648 ( -3.329 0.000 8.806) 9.414 3.654 ( -8.623 0.000 1.121) 8.696 3.771 ( 5.703 0.000 -4.755) 7.425 3.815 ( -2.446 0.000 1.816) 3.046 3.815 ( 2.898 0.000 11.430) 11.792 3.925 ( 7.811 0.000 -1.471) 7.948 4.106 ( 0.190 0.000 -3.358) 3.363 4.137 ( 8.996 0.000 11.617) 14.694 4.166 ( -3.451 0.000 -1.392) 3.721 4.226 ( -4.183 0.000 -1.107) 4.327 4.292 ( 13.078 0.000 -1.329) 13.146 4.329 ( 1.036 0.000 -2.492) 2.699 4.351 ( 0.837 0.000 -6.891) 6.942 4.445 ( 0.153 0.000 1.197) 1.206 4.497 ( -5.087 0.000 -4.092) 6.528 4.550 ( 0.977 0.000 -9.745) 9.794 4.619 ( -4.821 0.000 -2.409) 5.389 4.769 ( 6.686 0.000 4.726) 8.188 4.813 ( -3.247 0.000 -6.753) 7.493 4.879 ( 0.495 0.000 1.582) 1.657 4.986 ( 11.584 0.000 -4.848) 12.558 5.089 ( 4.240 0.000 8.204) 9.235 5.098 ( 4.769 0.000 -4.382) 6.476 5.135 ( 0.885 0.000 6.098) 6.162 5.167 ( 4.690 0.000 9.786) 10.852 5.310 ( -2.726 0.000 3.621) 4.532 5.352 ( 3.728 0.000 -2.099) 4.278 5.482 ( 2.760 0.000 -0.918) 2.909 5.585 ( 7.026 0.000 -3.254) 7.743 5.745 ( 8.031 0.000 -4.178) 9.053 5.783 ( 1.434 0.000 2.004) 2.464 5.836 ( -5.101 0.000 -1.573) 5.338 5.942 ( -5.461 0.000 2.269) 5.914 6.052 ( 8.468 0.000 0.786) 8.505 6.154 ( -10.290 0.000 -2.107) 10.503 6.163 ( 7.787 0.000 -2.076) 8.059 6.239 ( -5.659 0.000 0.599) 5.691 6.330 ( 1.212 0.000 3.650) 3.846 6.558 ( -2.065 0.000 5.697) 6.060 6.620 ( -2.280 0.000 -2.462) 3.356 6.723 ( -4.963 0.000 -1.367) 5.148 6.761 ( -0.302 0.000 -1.168) 1.206 6.767 ( -3.898 0.000 1.688) 4.248 6.843 ( -5.485 0.000 -3.633) 6.579 6.966 ( -9.332 0.000 2.389) 9.632 7.017 ( -1.389 0.000 -1.926) 2.375 7.105 ( -3.422 0.000 6.201) 7.082 7.230 ( -14.767 0.000 -5.510) 15.762 7.238 ( 8.089 0.000 5.619) 9.849 7.372 ( -9.436 0.000 -11.211) 14.654 7.496 ( -0.518 0.000 3.510) 3.548 7.624 ( -4.257 0.000 3.621) 5.589 7.659 ( -6.875 0.000 -1.655) 7.071 7.686 ( -4.842 0.000 0.087) 4.843 7.709 ( 5.417 0.000 3.647) 6.530 7.845 ( -5.877 0.000 4.626) 7.479 7.893 ( -4.691 0.000 -6.774) 8.240 8.064 ( 6.048 0.000 -3.691) 7.085 8.180 ( 0.558 0.000 -2.221) 2.290 8.320 ( 0.523 0.000 -1.359) 1.456 8.453 ( -2.365 0.000 -3.301) 4.061 8.507 ( 0.840 0.000 5.231) 5.298 8.542 ( -0.138 0.000 0.001) 0.138 8.618 ( -5.789 0.000 -2.774) 6.420 8.704 ( -1.253 0.000 6.000) 6.129 8.845 ( -1.076 0.000 -3.253) 3.427 8.957 ( 5.914 0.000 1.855) 6.198 9.046 ( -1.582 0.000 -2.505) 2.963 9.096 ( -2.143 0.000 -0.264) 2.160 9.183 ( 0.864 0.000 -3.782) 3.880 9.222 ( 0.282 0.000 0.293) 0.406 9.386 ( -2.244 0.000 2.787) 3.578 9.473 ( 1.113 0.000 1.238) 1.665 9.774 ( -0.644 0.000 -3.393) 3.454 9.775 ( -7.732 0.000 -2.033) 7.995 9.793 ( 4.087 0.000 -0.639) 4.136 10.001 ( -2.293 0.000 1.868) 2.957 10.133 ( 5.464 0.000 6.184) 8.252 10.136 ( -2.519 0.000 2.917) 3.854 10.176 ( -3.195 0.000 -1.842) 3.688 10.239 ( 0.537 0.000 0.815) 0.977 10.462 ( 14.208 0.000 -6.387) 15.577 10.540 ( -1.289 0.000 -0.699) 1.466 10.565 ( 2.014 0.000 4.373) 4.814 10.638 ( 6.556 0.000 1.928) 6.834 10.894 ( -1.495 0.000 -4.582) 4.819 11.010 ( -6.186 0.000 -3.149) 6.942 11.148 ( 5.405 0.000 -1.765) 5.686 11.227 ( -2.039 0.000 9.538) 9.754 11.317 ( 4.628 0.000 -0.356) 4.642 11.521 ( -9.704 0.000 8.125) 12.657 11.596 ( -3.850 0.000 -1.846) 4.270 11.604 ( -1.774 0.000 1.696) 2.454 11.730 ( -2.341 0.000 -4.609) 5.169 11.842 ( -12.016 0.000 0.890) 12.049 11.986 ( -5.826 0.000 -3.037) 6.570 12.080 ( -0.364 0.000 -3.292) 3.313 12.447 ( 2.860 0.000 3.752) 4.718 12.754 ( -3.235 0.000 4.595) 5.619 12.768 ( -11.768 0.000 1.299) 11.839 12.827 ( 1.890 0.000 -3.328) 3.827 13.054 ( 2.238 0.000 0.138) 2.242 13.276 ( 1.653 0.000 -3.915) 4.249 13.446 ( -3.195 0.000 -1.602) 3.574 13.489 ( -1.742 0.000 2.371) 2.943 13.734 ( 5.873 0.000 2.403) 6.345 13.801 ( 11.752 0.000 6.332) 13.350 13.972 ( 4.211 0.000 -0.686) 4.267 14.235 ( 1.489 0.000 -2.948) 3.303 14.429 ( 8.180 0.000 3.278) 8.812 14.482 ( 17.136 0.000 -2.820) 17.366 14.689 ( 3.275 0.000 -8.048) 8.689 14.846 ( 7.669 0.000 8.129) 11.175 14.906 ( 4.780 0.000 -1.210) 4.930 14.980 ( 2.709 0.000 1.922) 3.322 14.995 ( 6.214 0.000 2.145) 6.573 15.131 ( 2.560 0.000 2.841) 3.825 15.217 ( 3.456 0.000 -5.529) 6.521 15.402 ( -4.014 0.000 3.950) 5.632 15.600 ( -4.239 0.000 2.537) 4.940 15.651 ( 6.403 0.000 -0.128) 6.405 16.064 ( -1.837 0.000 0.765) 1.990 16.280 ( 4.624 0.000 4.331) 6.335 16.397 ( -1.483 0.000 1.564) 2.156 16.560 ( 2.029 0.000 -1.109) 2.312 16.635 ( 2.892 0.000 -5.338) 6.071 16.983 ( 1.281 0.000 2.814) 3.092 16.999 ( 0.151 0.000 -8.497) 8.498 17.189 ( 4.597 0.000 3.748) 5.931 18.329 ( -7.649 0.000 -3.882) 8.577 18.364 ( -2.945 0.000 -0.616) 3.009 18.492 ( -7.298 0.000 4.642) 8.649 18.605 ( -4.873 0.000 -5.667) 7.474 19.034 ( -8.178 0.000 1.092) 8.251 19.184 ( -8.679 0.000 -1.216) 8.764 19.309 ( -8.261 0.000 -0.820) 8.302 19.460 ( -1.967 0.000 -1.306) 2.361 25.069 ( -0.242 0.000 -0.244) 0.344 25.361 ( 0.182 0.000 -0.047) 0.188 25.596 ( 10.020 0.000 -1.155) 10.086 26.308 ( 5.219 0.000 -0.166) 5.222 26.917 ( -3.852 0.000 1.538) 4.147 27.063 ( -1.525 0.000 -1.031) 1.841 27.079 ( -0.844 0.000 -2.332) 2.480 27.138 ( 0.228 0.000 7.293) 7.296 27.947 ( 0.221 0.000 -4.081) 4.087 27.964 ( 0.803 0.000 0.212) 0.831 28.123 ( 1.606 0.000 -0.037) 1.606 28.202 ( -1.381 0.000 -0.429) 1.446 28.434 ( 3.123 0.000 -0.396) 3.148 28.704 ( -2.194 0.000 6.340) 6.709 28.934 ( 8.740 0.000 -1.673) 8.899 29.065 ( 6.900 0.000 -1.788) 7.128 29.140 ( 8.673 0.000 0.469) 8.685 29.264 ( 11.718 0.000 4.198) 12.448 29.282 ( 6.139 0.000 -5.827) 8.464 29.883 ( -5.499 0.000 -7.714) 9.473 29.903 ( -15.050 0.000 -0.327) 15.054 30.231 ( -9.373 0.000 1.067) 9.433 30.253 ( -9.281 0.000 -3.159) 9.803 30.407 ( -7.153 0.000 10.897) 13.035 30.444 ( -0.539 0.000 -5.726) 5.752 30.787 ( 2.633 0.000 -1.893) 3.242 30.921 ( 1.360 0.000 -1.708) 2.183 31.203 ( -0.266 0.000 8.669) 8.673 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 13.232 0.000 0.161) 13.233 1.816 ( 3.702 0.000 -4.248) 5.634 1.938 ( -2.588 0.000 5.625) 6.192 2.087 ( 6.608 0.000 0.422) 6.621 2.319 ( -2.705 0.000 -2.355) 3.586 2.439 ( -1.012 0.000 -1.504) 1.813 2.525 ( -7.072 0.000 -1.861) 7.313 2.738 ( 0.233 0.000 0.232) 0.329 2.780 ( 3.947 0.000 2.008) 4.428 2.834 ( 2.712 0.000 4.451) 5.212 2.986 ( 11.652 0.000 -4.271) 12.410 3.240 ( -12.138 0.000 2.662) 12.427 3.292 ( -7.114 0.000 -2.432) 7.518 3.410 ( 7.466 0.000 1.591) 7.633 3.491 ( 2.109 0.000 0.693) 2.220 3.520 ( -1.094 0.000 -2.626) 2.844 3.710 ( 7.257 0.000 1.932) 7.510 3.821 ( 1.204 0.000 8.275) 8.362 3.852 ( 2.592 0.000 -7.206) 7.658 3.892 ( 6.796 0.000 0.497) 6.814 3.952 ( 2.150 0.000 -3.367) 3.995 4.018 ( -7.563 0.000 2.099) 7.849 4.097 ( -7.863 0.000 1.601) 8.024 4.148 ( 1.593 0.000 -2.386) 2.868 4.223 ( -5.696 0.000 -4.541) 7.284 4.324 ( 0.682 0.000 -1.011) 1.220 4.338 ( -0.356 0.000 1.962) 1.994 4.394 ( -0.993 0.000 -4.404) 4.515 4.455 ( 2.167 0.000 1.151) 2.453 4.588 ( 10.734 0.000 0.299) 10.738 4.611 ( -5.699 0.000 2.028) 6.049 4.718 ( 6.549 0.000 -7.091) 9.653 4.755 ( 10.461 0.000 9.165) 13.908 4.889 ( 3.463 0.000 3.295) 4.780 5.012 ( 8.086 0.000 9.137) 12.202 5.040 ( -1.851 0.000 1.012) 2.109 5.094 ( -3.520 0.000 -6.794) 7.652 5.122 ( -0.711 0.000 -3.064) 3.145 5.163 ( 1.686 0.000 -3.343) 3.744 5.193 ( -0.552 0.000 5.365) 5.393 5.326 ( -4.371 0.000 -2.558) 5.064 5.373 ( 2.514 0.000 8.164) 8.543 5.576 ( 6.713 0.000 -4.787) 8.245 5.672 ( -11.319 0.000 -7.640) 13.656 5.735 ( 2.248 0.000 3.120) 3.845 5.839 ( -0.094 0.000 -1.210) 1.214 5.907 ( -1.575 0.000 1.434) 2.130 5.938 ( 7.896 0.000 -1.740) 8.085 5.962 ( 10.845 0.000 3.770) 11.481 6.177 ( 4.536 0.000 0.842) 4.614 6.258 ( 2.237 0.000 -1.575) 2.736 6.306 ( -3.887 0.000 2.333) 4.534 6.357 ( 6.002 0.000 -5.657) 8.248 6.509 ( -4.271 0.000 4.924) 6.518 6.566 ( -2.094 0.000 -0.219) 2.106 6.632 ( -5.316 0.000 2.938) 6.074 6.679 ( -1.478 0.000 -1.212) 1.911 6.731 ( -7.149 0.000 -5.157) 8.815 6.787 ( -4.117 0.000 3.820) 5.616 6.803 ( 0.190 0.000 -2.257) 2.265 6.959 ( -6.480 0.000 -2.357) 6.895 7.002 ( 0.977 0.000 -2.463) 2.650 7.042 ( -3.331 0.000 5.195) 6.171 7.169 ( -8.392 0.000 -4.040) 9.313 7.385 ( 7.361 0.000 1.473) 7.507 7.459 ( -6.808 0.000 -1.007) 6.882 7.499 ( -2.296 0.000 1.814) 2.926 7.513 ( -5.408 0.000 -2.891) 6.132 7.725 ( 3.283 0.000 1.293) 3.528 7.757 ( 0.118 0.000 5.421) 5.422 7.777 ( -0.705 0.000 -2.566) 2.661 7.837 ( -1.838 0.000 -0.435) 1.888 8.174 ( -0.314 0.000 -0.324) 0.451 8.223 ( 8.640 0.000 1.282) 8.735 8.364 ( 2.176 0.000 -1.104) 2.440 8.370 ( -4.490 0.000 -2.368) 5.077 8.493 ( -5.277 0.000 -2.011) 5.648 8.550 ( 0.773 0.000 -0.217) 0.803 8.585 ( 3.801 0.000 4.176) 5.647 8.676 ( -0.670 0.000 4.074) 4.129 8.780 ( -3.701 0.000 -2.939) 4.726 8.975 ( -3.780 0.000 -3.339) 5.044 9.063 ( 4.232 0.000 0.685) 4.287 9.102 ( 2.339 0.000 -2.856) 3.692 9.216 ( 1.520 0.000 0.145) 1.527 9.225 ( 0.105 0.000 0.310) 0.327 9.309 ( -5.060 0.000 2.537) 5.661 9.398 ( -5.693 0.000 0.975) 5.776 9.675 ( -2.422 0.000 -0.580) 2.491 9.714 ( -2.283 0.000 -0.675) 2.381 9.856 ( 1.646 0.000 -1.221) 2.049 9.969 ( -1.777 0.000 0.215) 1.790 10.104 ( 1.417 0.000 2.864) 3.195 10.161 ( -0.571 0.000 -2.266) 2.337 10.230 ( 4.036 0.000 2.669) 4.838 10.306 ( 2.687 0.000 -0.261) 2.700 10.518 ( -0.763 0.000 -0.469) 0.895 10.580 ( 0.193 0.000 3.142) 3.148 10.744 ( 11.982 0.000 -7.572) 14.174 10.797 ( 7.522 0.000 0.927) 7.579 10.872 ( -1.157 0.000 -1.740) 2.089 10.907 ( -3.220 0.000 0.174) 3.224 11.175 ( -5.631 0.000 2.448) 6.140 11.247 ( 5.869 0.000 2.330) 6.315 11.295 ( -3.891 0.000 6.815) 7.847 11.433 ( -12.215 0.000 -5.717) 13.486 11.485 ( 4.083 0.000 1.520) 4.357 11.585 ( 0.336 0.000 -0.897) 0.958 11.680 ( -2.306 0.000 2.559) 3.445 11.763 ( 3.014 0.000 -3.465) 4.592 11.837 ( -7.073 0.000 -1.583) 7.248 12.072 ( -0.314 0.000 -1.098) 1.142 12.459 ( -3.167 0.000 3.931) 5.048 12.616 ( -1.654 0.000 -0.874) 1.871 12.704 ( -1.447 0.000 1.246) 1.910 12.859 ( 1.009 0.000 -0.968) 1.398 13.115 ( 3.386 0.000 0.798) 3.479 13.266 ( -1.047 0.000 -1.208) 1.599 13.366 ( -6.810 0.000 -0.741) 6.850 13.438 ( 0.606 0.000 -0.203) 0.639 13.832 ( 3.217 0.000 0.689) 3.290 13.942 ( 3.663 0.000 3.580) 5.122 14.070 ( 2.832 0.000 -0.421) 2.863 14.236 ( -0.576 0.000 -1.902) 1.988 14.553 ( 3.714 0.000 1.461) 3.991 14.705 ( 2.893 0.000 -0.191) 2.899 14.811 ( 8.379 0.000 -4.156) 9.353 14.926 ( 1.532 0.000 4.831) 5.068 14.966 ( 1.486 0.000 -0.871) 1.722 15.044 ( 3.691 0.000 -0.364) 3.709 15.138 ( 5.068 0.000 -3.188) 5.987 15.149 ( -1.264 0.000 2.448) 2.755 15.279 ( 2.017 0.000 -3.152) 3.742 15.368 ( 2.114 0.000 3.982) 4.508 15.483 ( -7.097 0.000 0.805) 7.143 15.751 ( 2.992 0.000 -0.048) 2.992 16.050 ( 0.102 0.000 -0.050) 0.113 16.364 ( 2.717 0.000 2.044) 3.400 16.374 ( -0.760 0.000 0.742) 1.062 16.624 ( 3.766 0.000 -0.334) 3.781 16.672 ( 0.979 0.000 -2.243) 2.447 16.911 ( -5.146 0.000 -3.246) 6.084 16.996 ( 0.092 0.000 1.456) 1.459 17.336 ( 6.134 0.000 1.004) 6.215 18.176 ( -5.819 0.000 -1.592) 6.033 18.321 ( -0.890 0.000 -1.699) 1.918 18.373 ( -4.242 0.000 3.508) 5.505 18.541 ( -1.604 0.000 -0.785) 1.786 18.911 ( -3.615 0.000 0.582) 3.662 19.052 ( -3.869 0.000 -0.655) 3.924 19.186 ( -3.524 0.000 -0.470) 3.555 19.426 ( -1.033 0.000 -0.594) 1.191 25.072 ( 0.266 0.000 -0.104) 0.286 25.365 ( 0.134 0.000 -0.036) 0.139 25.742 ( 4.234 0.000 -0.585) 4.275 26.387 ( 2.361 0.000 0.306) 2.380 26.857 ( -1.886 0.000 0.680) 2.004 27.041 ( -0.608 0.000 -0.391) 0.723 27.065 ( -0.428 0.000 -1.136) 1.214 27.142 ( 0.057 0.000 2.476) 2.477 27.950 ( 0.179 0.000 -1.705) 1.714 27.978 ( 0.439 0.000 0.143) 0.462 28.146 ( 0.653 0.000 0.295) 0.717 28.179 ( -0.710 0.000 -0.170) 0.730 28.468 ( 0.672 0.000 -0.187) 0.698 28.676 ( -0.802 0.000 1.862) 2.027 29.105 ( 6.433 0.000 -3.504) 7.325 29.202 ( 6.934 0.000 1.979) 7.211 29.255 ( 2.831 0.000 -2.706) 3.916 29.447 ( 9.094 0.000 6.454) 11.151 29.484 ( 7.115 0.000 4.749) 8.555 29.630 ( -9.770 0.000 -2.552) 10.098 29.746 ( -7.354 0.000 -10.664) 12.953 30.052 ( -8.587 0.000 -2.585) 8.968 30.081 ( -4.750 0.000 3.624) 5.975 30.274 ( -4.577 0.000 3.425) 5.716 30.462 ( 0.901 0.000 -0.761) 1.179 30.825 ( 1.091 0.000 -0.539) 1.217 30.935 ( 0.288 0.000 0.127) 0.315 31.207 ( 0.194 0.000 1.742) 1.753 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.000 35.990 0.000) 35.990 0.729 ( 0.000 35.845 0.000) 35.845 1.138 ( 0.000 52.232 0.000) 52.232 2.194 ( 0.000 -9.646 0.000) 9.646 2.457 ( 0.000 -15.039 0.000) 15.039 2.539 ( 0.000 -7.757 0.000) 7.757 2.580 ( 0.000 7.825 0.000) 7.825 2.685 ( 0.000 -1.092 0.000) 1.092 2.697 ( 0.000 4.004 0.000) 4.004 2.802 ( 0.000 2.897 0.000) 2.897 2.925 ( 0.000 0.075 0.000) 0.075 2.972 ( 0.000 11.388 0.000) 11.388 3.191 ( 0.000 3.807 0.000) 3.807 3.370 ( 0.000 -0.967 0.000) 0.967 3.496 ( 0.000 9.120 0.000) 9.120 3.531 ( 0.000 -4.504 0.000) 4.504 3.590 ( 0.000 1.094 0.000) 1.094 3.685 ( 0.000 2.475 0.000) 2.475 3.770 ( 0.000 3.276 0.000) 3.276 3.831 ( 0.000 0.954 0.000) 0.954 3.899 ( 0.000 -2.378 0.000) 2.378 3.920 ( 0.000 1.503 0.000) 1.503 3.955 ( 0.000 -0.870 0.000) 0.870 4.059 ( 0.000 4.994 0.000) 4.994 4.164 ( 0.000 5.589 0.000) 5.589 4.164 ( 0.000 -3.952 0.000) 3.952 4.261 ( 0.000 7.563 0.000) 7.563 4.265 ( 0.000 -3.225 0.000) 3.225 4.473 ( 0.000 5.972 0.000) 5.972 4.569 ( 0.000 4.638 0.000) 4.638 4.634 ( 0.000 5.446 0.000) 5.446 4.647 ( 0.000 -11.355 0.000) 11.355 4.672 ( 0.000 -5.537 0.000) 5.537 4.757 ( 0.000 1.023 0.000) 1.023 4.786 ( 0.000 -4.380 0.000) 4.380 4.790 ( 0.000 -1.184 0.000) 1.184 5.060 ( 0.000 0.142 0.000) 0.142 5.087 ( 0.000 5.914 0.000) 5.914 5.149 ( 0.000 -4.121 0.000) 4.121 5.235 ( 0.000 -1.538 0.000) 1.538 5.257 ( 0.000 -0.768 0.000) 0.768 5.283 ( 0.000 0.291 0.000) 0.291 5.377 ( 0.000 -2.779 0.000) 2.779 5.697 ( 0.000 -4.282 0.000) 4.282 5.704 ( 0.000 0.585 0.000) 0.585 5.799 ( 0.000 1.165 0.000) 1.165 5.997 ( 0.000 1.444 0.000) 1.444 5.999 ( 0.000 2.664 0.000) 2.664 6.015 ( 0.000 3.945 0.000) 3.945 6.160 ( 0.000 4.388 0.000) 4.388 6.213 ( 0.000 5.725 0.000) 5.725 6.401 ( 0.000 3.736 0.000) 3.736 6.508 ( 0.000 -7.163 0.000) 7.163 6.620 ( 0.000 -4.243 0.000) 4.243 6.735 ( 0.000 -3.918 0.000) 3.918 6.755 ( 0.000 3.131 0.000) 3.131 6.834 ( 0.000 -0.997 0.000) 0.997 6.864 ( 0.000 -4.393 0.000) 4.393 6.985 ( 0.000 -8.790 0.000) 8.790 7.056 ( 0.000 -5.980 0.000) 5.980 7.088 ( 0.000 -0.190 0.000) 0.190 7.158 ( 0.000 -2.572 0.000) 2.572 7.308 ( 0.000 -3.102 0.000) 3.102 7.383 ( 0.000 -2.869 0.000) 2.869 7.520 ( 0.000 2.541 0.000) 2.541 7.557 ( 0.000 6.554 0.000) 6.554 7.706 ( 0.000 6.860 0.000) 6.860 7.735 ( 0.000 -1.499 0.000) 1.499 7.781 ( 0.000 -0.453 0.000) 0.453 7.853 ( 0.000 -2.159 0.000) 2.159 7.865 ( 0.000 0.586 0.000) 0.586 8.038 ( 0.000 0.089 0.000) 0.089 8.068 ( 0.000 -0.694 0.000) 0.694 8.150 ( 0.000 -0.555 0.000) 0.555 8.246 ( 0.000 -4.682 0.000) 4.682 8.383 ( 0.000 -3.706 0.000) 3.706 8.400 ( 0.000 -7.403 0.000) 7.403 8.592 ( 0.000 4.674 0.000) 4.674 8.659 ( 0.000 -8.989 0.000) 8.989 8.693 ( 0.000 0.481 0.000) 0.481 8.757 ( 0.000 3.270 0.000) 3.270 8.806 ( 0.000 -7.471 0.000) 7.471 8.887 ( 0.000 -0.973 0.000) 0.973 8.970 ( 0.000 3.595 0.000) 3.595 9.170 ( 0.000 -6.712 0.000) 6.712 9.194 ( 0.000 -1.741 0.000) 1.741 9.387 ( 0.000 0.264 0.000) 0.264 9.455 ( 0.000 2.699 0.000) 2.699 9.616 ( 0.000 12.733 0.000) 12.733 9.835 ( 0.000 7.772 0.000) 7.772 9.919 ( 0.000 0.534 0.000) 0.534 10.104 ( 0.000 -1.596 0.000) 1.596 10.104 ( 0.000 -1.561 0.000) 1.561 10.125 ( 0.000 3.076 0.000) 3.076 10.224 ( 0.000 -1.669 0.000) 1.669 10.344 ( 0.000 -1.073 0.000) 1.073 10.550 ( 0.000 0.164 0.000) 0.164 10.555 ( 0.000 1.192 0.000) 1.192 10.614 ( 0.000 -0.116 0.000) 0.116 10.768 ( 0.000 -4.022 0.000) 4.022 10.975 ( 0.000 -0.343 0.000) 0.343 11.118 ( 0.000 -2.467 0.000) 2.467 11.167 ( 0.000 1.246 0.000) 1.246 11.257 ( 0.000 5.574 0.000) 5.574 11.298 ( 0.000 0.896 0.000) 0.896 11.614 ( 0.000 -2.178 0.000) 2.178 11.717 ( 0.000 -7.530 0.000) 7.530 11.760 ( 0.000 -2.738 0.000) 2.738 11.857 ( 0.000 2.016 0.000) 2.016 11.987 ( 0.000 3.606 0.000) 3.606 12.097 ( 0.000 3.249 0.000) 3.249 12.317 ( 0.000 -3.901 0.000) 3.901 12.686 ( 0.000 0.443 0.000) 0.443 12.758 ( 0.000 -1.030 0.000) 1.030 12.831 ( 0.000 1.877 0.000) 1.877 13.004 ( 0.000 -1.674 0.000) 1.674 13.048 ( 0.000 -0.152 0.000) 0.152 13.185 ( 0.000 -0.887 0.000) 0.887 13.251 ( 0.000 -0.812 0.000) 0.812 13.264 ( 0.000 0.459 0.000) 0.459 13.342 ( 0.000 5.741 0.000) 5.741 13.736 ( 0.000 -2.614 0.000) 2.614 13.960 ( 0.000 -3.514 0.000) 3.514 13.963 ( 0.000 4.521 0.000) 4.521 14.049 ( 0.000 -1.979 0.000) 1.979 14.150 ( 0.000 0.362 0.000) 0.362 14.230 ( 0.000 0.456 0.000) 0.456 14.626 ( 0.000 0.315 0.000) 0.315 14.791 ( 0.000 5.800 0.000) 5.800 14.956 ( 0.000 -1.919 0.000) 1.919 15.016 ( 0.000 -0.624 0.000) 0.624 15.109 ( 0.000 -1.296 0.000) 1.296 15.199 ( 0.000 -3.221 0.000) 3.221 15.263 ( 0.000 -0.263 0.000) 0.263 15.557 ( 0.000 1.323 0.000) 1.323 15.691 ( 0.000 -2.206 0.000) 2.206 16.155 ( 0.000 -2.388 0.000) 2.388 16.162 ( 0.000 0.887 0.000) 0.887 16.263 ( 0.000 4.578 0.000) 4.578 16.365 ( 0.000 -4.006 0.000) 4.006 16.513 ( 0.000 -3.352 0.000) 3.352 16.554 ( 0.000 -0.957 0.000) 0.957 16.870 ( 0.000 4.623 0.000) 4.623 16.955 ( 0.000 2.250 0.000) 2.250 18.441 ( 0.000 0.490 0.000) 0.490 18.459 ( 0.000 0.117 0.000) 0.117 18.590 ( 0.000 1.525 0.000) 1.525 18.771 ( 0.000 -3.240 0.000) 3.240 19.273 ( 0.000 1.599 0.000) 1.599 19.414 ( 0.000 -1.470 0.000) 1.470 19.471 ( 0.000 1.378 0.000) 1.378 19.533 ( 0.000 -0.576 0.000) 0.576 25.172 ( 0.000 0.872 0.000) 0.872 25.246 ( 0.000 -0.789 0.000) 0.789 25.295 ( 0.000 0.723 0.000) 0.723 25.354 ( 0.000 -0.625 0.000) 0.625 27.039 ( 0.000 -0.867 0.000) 0.867 27.070 ( 0.000 -2.780 0.000) 2.780 27.131 ( 0.000 1.658 0.000) 1.658 27.361 ( 0.000 -3.526 0.000) 3.526 28.041 ( 0.000 8.462 0.000) 8.462 28.071 ( 0.000 1.415 0.000) 1.415 28.206 ( 0.000 -1.286 0.000) 1.286 28.302 ( 0.000 4.339 0.000) 4.339 28.325 ( 0.000 1.151 0.000) 1.151 28.489 ( 0.000 -0.693 0.000) 0.693 28.816 ( 0.000 -2.266 0.000) 2.266 28.827 ( 0.000 -2.480 0.000) 2.480 28.915 ( 0.000 2.568 0.000) 2.568 28.956 ( 0.000 1.538 0.000) 1.538 30.014 ( 0.000 2.587 0.000) 2.587 30.235 ( 0.000 1.506 0.000) 1.506 30.250 ( 0.000 -1.513 0.000) 1.513 30.440 ( 0.000 0.316 0.000) 0.316 30.458 ( 0.000 -1.221 0.000) 1.221 30.480 ( 0.000 0.309 0.000) 0.309 30.526 ( 0.000 -1.235 0.000) 1.235 30.635 ( 0.000 -8.337 0.000) 8.337 30.930 ( 0.000 0.419 0.000) 0.419 30.961 ( 0.000 0.964 0.000) 0.964 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 21.162 23.805 13.512) 34.599 1.057 ( 26.541 24.883 -5.050) 36.730 1.725 ( 45.487 31.824 4.558) 55.702 2.161 ( -4.256 -9.169 -1.924) 10.290 2.438 ( 0.828 -11.760 8.757) 14.686 2.550 ( -0.779 1.268 -5.989) 6.171 2.632 ( -5.051 -1.641 -5.362) 7.547 2.673 ( 4.000 3.832 1.528) 5.746 2.743 ( 0.838 3.529 -1.456) 3.908 2.844 ( -9.147 2.683 1.007) 9.585 2.934 ( -5.328 7.304 -4.011) 9.890 2.980 ( 8.999 3.428 -3.695) 10.314 3.083 ( 1.507 -4.695 3.476) 6.033 3.290 ( 1.751 5.881 -1.740) 6.378 3.474 ( 1.122 0.274 7.887) 7.971 3.566 ( 0.664 1.673 1.930) 2.639 3.615 ( 4.026 0.754 4.437) 6.038 3.710 ( 3.966 -2.522 -2.144) 5.166 3.776 ( -1.843 3.727 1.577) 4.446 3.840 ( 0.124 -1.079 -2.144) 2.403 3.945 ( 1.521 -2.416 0.673) 2.933 3.971 ( 8.575 0.678 2.814) 9.050 4.017 ( 2.097 4.624 -2.678) 5.741 4.152 ( 4.086 -0.621 -3.729) 5.567 4.160 ( -1.815 0.085 3.785) 4.199 4.221 ( 2.008 -0.533 1.205) 2.401 4.275 ( 6.405 1.771 -5.929) 8.906 4.361 ( 9.144 -0.816 -9.417) 13.151 4.496 ( -0.687 10.099 -1.475) 10.229 4.570 ( 1.598 3.975 -0.017) 4.284 4.632 ( -0.184 -3.560 -0.717) 3.636 4.677 ( 0.512 2.164 0.809) 2.366 4.735 ( 2.824 -5.224 2.051) 6.283 4.804 ( 4.287 -0.249 -4.015) 5.878 4.816 ( 5.076 -0.965 0.195) 5.171 4.879 ( 2.101 -1.339 4.622) 5.251 4.925 ( -0.256 4.225 -1.337) 4.439 5.078 ( -2.079 -0.271 1.963) 2.872 5.149 ( -6.088 0.653 2.913) 6.781 5.169 ( -3.325 -3.870 3.175) 6.009 5.228 ( 3.787 -1.085 -2.977) 4.938 5.329 ( 0.999 2.486 -0.779) 2.790 5.418 ( 5.014 0.783 -0.070) 5.076 5.653 ( -5.815 -1.916 1.093) 6.220 5.720 ( 3.715 1.510 -2.686) 4.826 5.826 ( -6.449 0.532 -1.552) 6.655 5.887 ( 2.829 2.289 -0.690) 3.704 5.916 ( -4.413 2.751 -1.518) 5.417 6.037 ( -1.699 2.415 2.302) 3.743 6.105 ( -2.648 5.250 1.527) 6.075 6.214 ( 2.327 6.300 -3.273) 7.471 6.351 ( -3.695 2.207 2.668) 5.064 6.472 ( -3.556 -6.794 5.119) 9.220 6.575 ( -4.662 -3.521 -1.664) 6.075 6.673 ( -7.848 -0.286 -0.528) 7.871 6.746 ( -6.111 -3.182 2.571) 7.354 6.765 ( 0.149 -2.477 -3.680) 4.438 6.863 ( -5.665 -2.924 1.916) 6.656 6.939 ( -5.545 -5.412 -3.123) 8.354 6.983 ( -1.181 -5.716 -3.091) 6.604 7.011 ( -0.987 2.942 -0.100) 3.105 7.128 ( -2.719 2.422 6.098) 7.102 7.163 ( -2.410 0.410 2.854) 3.758 7.347 ( -2.405 -4.211 0.388) 4.865 7.517 ( -0.047 -2.734 3.149) 4.171 7.572 ( 0.232 6.331 0.387) 6.348 7.615 ( -5.078 2.790 -6.658) 8.826 7.716 ( -2.605 -4.519 -0.807) 5.278 7.757 ( -2.088 5.341 4.342) 7.193 7.797 ( -5.436 -0.141 0.155) 5.440 7.877 ( -5.412 -5.318 -1.362) 7.709 8.048 ( -0.177 2.601 -0.587) 2.672 8.077 ( 0.730 3.167 -6.738) 7.481 8.133 ( -1.275 -2.479 -3.225) 4.263 8.338 ( 2.203 -0.207 -10.905) 11.127 8.399 ( 1.883 -2.472 3.421) 4.622 8.423 ( 1.248 -8.422 4.265) 9.523 8.636 ( 0.738 -1.170 -3.676) 3.928 8.641 ( -1.459 -1.715 0.285) 2.269 8.720 ( -0.913 0.271 1.717) 1.963 8.794 ( 1.072 -1.838 1.276) 2.481 8.852 ( 7.581 -5.806 -2.515) 9.874 8.953 ( 5.765 -4.157 7.242) 10.147 8.985 ( -0.474 -0.644 2.467) 2.594 9.156 ( 0.100 -4.347 -1.872) 4.734 9.235 ( 2.907 -2.018 5.045) 6.162 9.400 ( -0.568 3.259 -6.136) 6.971 9.509 ( 5.785 -3.196 -1.616) 6.804 9.634 ( 1.256 11.406 -2.744) 11.799 9.841 ( 0.142 6.653 2.128) 6.986 9.919 ( -3.226 -1.383 -0.675) 3.574 10.016 ( -2.959 1.452 4.017) 5.196 10.086 ( -0.663 -3.484 -0.893) 3.657 10.184 ( -1.715 -1.813 1.068) 2.714 10.241 ( 4.500 2.727 -2.247) 5.721 10.348 ( 0.068 0.554 2.851) 2.905 10.377 ( -11.221 7.777 -0.217) 13.655 10.545 ( 0.219 0.146 1.969) 1.986 10.580 ( -2.187 1.036 3.974) 4.653 10.649 ( -4.370 4.101 -1.030) 6.080 10.903 ( -5.919 -0.497 -3.259) 6.775 11.031 ( 3.902 -0.540 -2.610) 4.725 11.151 ( -5.065 2.969 -5.553) 8.082 11.228 ( 2.163 -0.205 -5.032) 5.481 11.357 ( -2.137 1.420 14.684) 14.906 11.596 ( -1.849 -1.450 -2.121) 3.165 11.662 ( -5.979 -3.868 -0.874) 7.175 11.683 ( -5.348 -3.046 6.667) 9.074 11.833 ( -5.483 2.220 2.411) 6.388 11.909 ( -0.289 -1.359 -2.576) 2.927 12.071 ( -1.535 1.588 0.991) 2.421 12.186 ( -7.410 1.652 -1.932) 7.834 12.498 ( -5.976 5.544 -3.232) 8.769 12.760 ( 2.315 -0.060 -5.289) 5.773 12.860 ( -3.055 2.196 3.498) 5.137 12.979 ( -3.489 1.974 2.108) 4.529 13.073 ( -1.739 1.670 1.176) 2.683 13.178 ( 2.520 -3.802 -3.169) 5.554 13.368 ( 9.469 -1.705 -1.269) 9.704 13.452 ( 14.428 1.650 7.977) 16.569 13.563 ( -8.589 -2.551 -1.097) 9.027 13.626 ( 10.645 -0.024 9.309) 14.141 13.976 ( 1.431 -0.404 -1.821) 2.351 14.143 ( 3.510 -3.922 -0.025) 5.263 14.182 ( 6.932 -1.568 0.865) 7.160 14.303 ( 11.435 2.785 0.015) 11.769 14.399 ( 18.281 -12.318 0.607) 22.052 14.690 ( 5.939 -2.618 3.687) 7.464 14.782 ( 1.294 6.030 -1.260) 6.295 14.936 ( -0.857 -0.227 0.130) 0.896 15.035 ( 1.744 -1.692 0.125) 2.433 15.073 ( -1.112 3.518 5.974) 7.021 15.158 ( 3.162 0.056 -5.612) 6.442 15.413 ( 1.954 -5.296 3.474) 6.629 15.554 ( 2.129 2.217 5.821) 6.583 15.693 ( 0.404 1.920 0.794) 2.117 16.034 ( -2.889 -4.638 -1.289) 5.615 16.242 ( 0.337 0.002 2.281) 2.306 16.354 ( 0.798 -2.963 0.554) 3.118 16.506 ( -0.029 -1.836 -0.966) 2.075 16.593 ( 4.550 -1.637 0.062) 4.836 16.744 ( 17.202 -14.795 -5.786) 23.416 16.936 ( 5.739 3.463 -4.466) 8.055 17.038 ( 10.133 -1.396 -2.839) 10.615 18.419 ( -3.243 0.380 -0.859) 3.376 18.429 ( -1.815 0.081 -0.214) 1.829 18.584 ( -1.966 -1.010 -1.271) 2.550 18.685 ( -6.977 -2.707 -5.796) 9.466 19.205 ( -6.544 1.660 0.338) 6.760 19.344 ( -7.679 -0.991 0.080) 7.743 19.440 ( -1.586 -1.421 0.640) 2.224 19.461 ( -6.800 -0.562 -0.285) 6.829 25.120 ( -2.469 2.291 -0.134) 3.371 25.328 ( 1.534 -1.804 0.234) 2.379 25.351 ( 7.732 -3.384 -0.702) 8.469 25.657 ( 20.389 -19.257 0.911) 28.061 27.010 ( -2.715 0.353 -0.233) 2.748 27.058 ( -0.574 -0.886 -0.621) 1.225 27.125 ( -0.640 1.735 -0.598) 1.943 27.308 ( -3.753 1.028 5.806) 6.989 28.022 ( -0.461 7.886 -1.632) 8.066 28.102 ( 1.584 1.646 -1.154) 2.560 28.180 ( -1.495 3.988 -4.185) 5.971 28.242 ( -1.986 7.493 3.374) 8.455 28.385 ( 4.898 1.911 -1.114) 5.375 28.602 ( 5.802 -6.104 4.170) 9.397 28.842 ( 3.165 -0.626 1.028) 3.386 28.889 ( 5.517 -2.618 -1.928) 6.404 28.995 ( 6.652 1.872 4.208) 8.091 29.029 ( 8.503 -0.193 -1.839) 8.701 29.710 ( -24.557 20.735 -6.741) 32.840 30.018 ( -5.082 6.233 -3.774) 8.884 30.141 ( -11.959 -2.378 0.293) 12.197 30.326 ( -2.307 -0.892 -1.388) 2.836 30.374 ( -4.328 -1.270 -1.327) 4.702 30.523 ( -4.424 -1.570 -2.136) 5.157 30.538 ( -4.972 2.592 4.443) 7.154 30.673 ( 5.140 -4.975 -4.352) 8.373 30.898 ( 0.635 0.750 -12.074) 12.113 31.086 ( 3.276 -8.435 22.968) 24.687 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 26.279 11.652 6.202) 29.408 1.604 ( 28.195 16.572 -3.380) 32.878 2.056 ( -4.967 -4.687 1.206) 6.935 2.277 ( -11.705 6.376 0.741) 13.349 2.424 ( -4.846 3.933 -3.696) 7.254 2.512 ( 3.348 -2.730 7.631) 8.769 2.535 ( 3.137 5.146 -3.198) 6.822 2.623 ( 5.202 -0.522 0.739) 5.280 2.771 ( 1.566 2.764 -1.279) 3.424 2.841 ( 5.168 3.706 -1.777) 6.603 2.866 ( 0.006 10.666 -0.447) 10.676 3.098 ( 2.225 -6.948 -1.509) 7.450 3.267 ( 14.385 -0.398 -3.364) 14.778 3.382 ( 6.231 4.594 -1.201) 7.834 3.511 ( 0.293 0.295 0.174) 0.450 3.604 ( -1.612 -0.316 3.752) 4.095 3.654 ( -1.891 -1.102 4.625) 5.116 3.762 ( 2.648 1.327 -0.109) 2.964 3.796 ( 2.304 2.428 -0.929) 3.473 3.865 ( 6.883 -0.636 2.230) 7.263 3.940 ( -2.014 2.793 -2.376) 4.184 4.044 ( 2.669 -4.049 -0.404) 4.866 4.156 ( 6.599 -0.216 8.828) 11.024 4.190 ( -1.372 0.177 -4.933) 5.123 4.242 ( 4.146 3.684 2.677) 6.159 4.301 ( 0.178 6.362 2.557) 6.859 4.319 ( 11.408 -0.534 3.293) 11.886 4.406 ( -5.149 -0.487 -0.117) 5.173 4.482 ( -0.377 5.376 -10.797) 12.067 4.537 ( -2.397 1.906 -3.969) 5.013 4.628 ( -3.010 6.980 -1.705) 7.790 4.683 ( -2.833 2.606 -2.593) 4.641 4.766 ( 10.754 -1.703 -1.352) 10.972 4.787 ( -2.111 -0.183 -2.531) 3.301 4.858 ( -4.099 -0.796 3.217) 5.271 4.981 ( 11.916 -0.449 -3.774) 12.508 5.030 ( 3.724 -4.498 2.446) 6.330 5.092 ( 4.122 2.067 -0.962) 4.711 5.167 ( 8.940 2.133 4.212) 10.110 5.265 ( 0.147 -4.662 1.501) 4.900 5.279 ( 4.202 5.680 10.094) 12.321 5.391 ( 6.562 -1.107 -2.453) 7.092 5.412 ( -1.383 0.250 1.001) 1.726 5.585 ( -0.334 2.922 -2.326) 3.750 5.771 ( 1.458 -3.746 -3.070) 5.058 5.788 ( -3.105 1.784 0.563) 3.624 5.841 ( 0.994 2.101 -0.329) 2.347 5.994 ( -3.051 3.680 -0.149) 4.783 6.002 ( 9.274 -5.961 -0.689) 11.046 6.075 ( -2.899 -2.359 0.521) 3.774 6.246 ( -1.169 1.796 -2.118) 3.013 6.261 ( -6.215 2.046 2.455) 6.988 6.341 ( -8.137 2.870 2.614) 9.016 6.496 ( 3.451 -4.966 0.152) 6.050 6.580 ( -1.834 -2.697 -0.105) 3.264 6.655 ( -3.845 -5.593 -2.705) 7.306 6.738 ( -4.965 -2.357 6.049) 8.173 6.774 ( -1.241 -1.785 -4.323) 4.839 6.817 ( -6.041 -6.488 -2.691) 9.265 6.861 ( -5.002 -0.052 -5.341) 7.317 7.044 ( -6.016 -1.628 2.975) 6.906 7.075 ( -2.078 -3.343 -0.302) 3.948 7.169 ( 2.789 -2.233 7.560) 8.362 7.223 ( -7.965 -1.644 -0.954) 8.188 7.404 ( -12.786 2.741 -9.630) 16.240 7.534 ( -0.735 2.578 2.460) 3.638 7.611 ( -5.163 -5.558 -0.138) 7.587 7.661 ( -5.339 -1.065 1.837) 5.746 7.687 ( 0.592 -0.235 1.426) 1.562 7.700 ( -9.046 -6.607 -2.182) 11.412 7.751 ( 2.608 7.277 4.318) 8.854 8.007 ( -2.047 5.458 0.504) 5.851 8.107 ( 4.426 3.327 -3.346) 6.470 8.186 ( 2.536 1.404 -4.035) 4.968 8.329 ( 0.603 0.853 -0.035) 1.045 8.421 ( -0.913 -4.265 1.063) 4.489 8.458 ( 3.055 -0.996 1.165) 3.418 8.569 ( -2.693 -1.477 -0.447) 3.104 8.621 ( -3.679 1.062 -2.174) 4.403 8.690 ( -2.087 -0.597 2.430) 3.259 8.820 ( -0.188 -3.982 -4.632) 6.112 8.934 ( -2.445 -3.984 2.699) 5.398 8.990 ( 5.038 0.011 -3.763) 6.288 9.057 ( 4.776 -2.712 3.553) 6.541 9.185 ( 2.153 -1.159 -0.473) 2.491 9.275 ( -0.143 -0.140 3.167) 3.173 9.347 ( -3.575 2.593 -3.673) 5.744 9.575 ( -6.460 6.913 2.889) 9.893 9.635 ( 1.081 -8.246 -5.572) 10.010 9.787 ( -0.470 -0.974 -0.548) 1.212 9.855 ( -0.501 5.074 2.451) 5.657 10.018 ( -6.093 -2.940 3.358) 7.553 10.077 ( -0.148 2.105 -1.400) 2.532 10.146 ( 6.645 -1.060 3.330) 7.508 10.201 ( -6.502 3.411 0.138) 7.344 10.344 ( 0.485 5.720 1.157) 5.856 10.418 ( 8.760 -1.598 -3.459) 9.553 10.584 ( 2.741 -0.479 1.707) 3.265 10.602 ( 4.319 -1.230 2.888) 5.339 10.629 ( 2.952 4.918 -0.516) 5.759 10.836 ( -1.496 -2.302 -3.755) 4.651 11.017 ( -7.130 0.333 -3.163) 7.807 11.101 ( 2.152 -1.627 -1.247) 2.972 11.274 ( 0.425 -2.449 -1.629) 2.972 11.341 ( 2.195 3.690 3.377) 5.462 11.522 ( -6.053 3.171 12.271) 14.045 11.560 ( -3.090 -2.240 2.339) 4.476 11.620 ( -0.200 -3.207 -2.835) 4.285 11.735 ( -4.502 1.881 -2.388) 5.432 11.823 ( -9.784 -1.088 -1.256) 9.924 12.033 ( -4.089 2.333 -0.664) 4.754 12.082 ( -0.772 0.566 -3.893) 4.009 12.422 ( -2.327 -0.627 0.909) 2.576 12.702 ( -8.008 -4.470 -2.804) 9.590 12.815 ( -3.385 4.776 3.836) 6.999 12.891 ( -1.982 4.153 0.338) 4.614 13.027 ( 0.197 -2.045 -0.135) 2.059 13.232 ( 0.468 -4.399 -2.604) 5.133 13.450 ( 0.054 0.277 -1.681) 1.705 13.479 ( -1.725 -1.041 1.819) 2.715 13.745 ( 9.001 1.154 5.164) 10.441 13.808 ( 8.276 1.227 5.119) 9.808 13.996 ( 4.952 2.232 -0.099) 5.432 14.207 ( 1.924 -2.694 -2.832) 4.356 14.368 ( 10.944 -2.753 0.747) 11.310 14.546 ( 10.606 -0.348 -0.384) 10.619 14.652 ( 10.614 -1.551 -5.559) 12.081 14.826 ( 3.906 -2.571 5.166) 6.967 14.861 ( 8.547 -0.452 3.367) 9.198 14.954 ( 2.224 1.505 2.747) 3.842 15.074 ( 2.134 -3.071 -1.117) 3.903 15.109 ( 4.139 3.479 -0.699) 5.452 15.228 ( 4.044 1.149 -6.488) 7.731 15.391 ( -2.485 -1.179 4.747) 5.486 15.598 ( -0.556 1.430 3.599) 3.913 15.723 ( 3.628 3.262 -0.013) 4.879 15.985 ( -2.071 -4.895 -1.305) 5.473 16.272 ( 2.245 -4.618 2.920) 5.906 16.371 ( 1.458 1.261 -0.401) 1.968 16.508 ( 0.748 -2.392 -0.590) 2.575 16.678 ( 3.801 1.252 -2.355) 4.644 16.870 ( 0.297 -5.327 1.815) 5.636 17.069 ( 6.998 3.451 -5.382) 9.479 17.208 ( 6.158 0.288 0.016) 6.165 18.323 ( -6.339 0.187 -2.391) 6.777 18.383 ( -2.835 0.949 -0.201) 2.996 18.481 ( -7.294 -0.679 3.660) 8.189 18.575 ( -3.781 -2.544 -3.820) 5.946 19.050 ( -8.296 1.560 0.512) 8.456 19.171 ( -8.787 -1.182 -1.177) 8.944 19.304 ( -8.158 -0.317 -0.556) 8.183 19.404 ( -2.098 -4.088 -0.076) 4.595 25.096 ( -0.247 2.778 -0.248) 2.800 25.351 ( 1.141 0.004 0.139) 1.150 25.510 ( 7.487 -7.805 -0.756) 10.842 25.958 ( 10.700 -22.806 0.693) 25.201 26.958 ( -2.332 3.692 0.510) 4.397 27.052 ( -0.048 0.896 -1.196) 1.495 27.106 ( -1.144 1.915 -0.839) 2.383 27.255 ( -1.976 2.620 5.028) 6.004 28.025 ( 0.618 8.189 -2.416) 8.560 28.118 ( 0.468 2.975 -2.223) 3.743 28.172 ( 0.102 2.220 -2.965) 3.705 28.224 ( -0.051 11.368 4.917) 12.386 28.478 ( 3.800 3.051 -1.476) 5.092 28.669 ( 1.229 -3.195 4.507) 5.659 28.948 ( 7.691 0.700 -0.824) 7.766 29.014 ( 7.317 -3.208 -0.299) 7.995 29.175 ( 10.762 1.712 2.057) 11.090 29.248 ( 12.751 -0.871 1.855) 12.915 29.411 ( -6.850 11.018 -4.666) 13.788 29.862 ( -14.707 -3.122 -2.744) 15.283 29.909 ( -7.078 1.970 -5.845) 9.388 30.193 ( -9.828 -2.529 -2.693) 10.499 30.272 ( -8.753 0.626 0.369) 8.783 30.384 ( -8.794 -2.634 9.492) 13.205 30.471 ( 0.104 3.086 -3.487) 4.658 30.753 ( 2.661 -3.201 -1.724) 4.505 30.917 ( 1.485 -0.154 -1.110) 1.860 31.133 ( 1.604 -6.115 6.798) 9.283 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 8.950 6.120 2.201) 11.063 1.972 ( -1.944 10.780 -2.590) 11.256 2.023 ( 1.789 9.526 2.654) 10.049 2.151 ( 13.642 5.720 0.187) 14.794 2.334 ( 0.407 2.025 -2.864) 3.531 2.512 ( -3.690 4.356 2.737) 6.332 2.564 ( 1.122 -0.869 -4.154) 4.390 2.647 ( -6.552 -3.059 -1.693) 7.426 2.762 ( 0.087 -1.948 3.938) 4.394 2.841 ( 0.727 -0.509 -0.929) 1.285 2.970 ( 5.113 -0.060 -2.493) 5.689 3.081 ( -5.897 -7.795 4.633) 10.816 3.373 ( -6.340 4.687 -5.086) 9.383 3.485 ( 3.286 1.259 1.649) 3.886 3.510 ( 1.187 4.644 1.370) 4.985 3.568 ( 1.211 4.942 2.870) 5.842 3.776 ( 10.186 -3.262 -2.387) 10.959 3.830 ( 5.090 2.099 -3.884) 6.738 3.855 ( 4.054 1.721 -0.821) 4.480 3.911 ( -1.923 -0.709 -0.324) 2.075 3.949 ( 1.978 2.265 1.542) 3.380 4.022 ( -5.529 2.418 2.973) 6.728 4.112 ( -0.834 3.321 0.677) 3.491 4.203 ( 0.920 2.028 -1.923) 2.942 4.218 ( -5.321 1.594 -0.986) 5.641 4.316 ( 4.289 -3.275 -0.304) 5.405 4.355 ( -7.186 0.325 0.424) 7.206 4.446 ( 0.001 9.866 -4.967) 11.046 4.482 ( -0.314 2.579 0.179) 2.604 4.602 ( 7.782 3.434 -1.189) 8.589 4.616 ( -0.300 2.015 5.696) 6.049 4.744 ( 5.906 1.696 0.404) 6.157 4.813 ( -0.277 1.931 0.138) 1.955 4.897 ( 7.504 0.363 1.010) 7.580 4.928 ( 9.867 -2.777 5.850) 11.802 5.017 ( -0.505 -3.158 7.947) 8.567 5.122 ( -1.670 2.393 -6.843) 7.439 5.159 ( -1.268 5.265 -4.649) 7.137 5.220 ( 5.526 4.136 -1.491) 7.062 5.263 ( -4.122 2.911 3.642) 6.223 5.330 ( -2.422 0.404 -0.370) 2.483 5.406 ( 4.992 2.279 2.432) 6.002 5.584 ( 7.896 -0.911 0.108) 7.949 5.623 ( -3.195 -2.497 -2.241) 4.633 5.668 ( -3.294 -4.360 -0.294) 5.472 5.778 ( 0.413 -5.832 2.600) 6.398 5.862 ( -0.502 0.861 -1.620) 1.902 5.968 ( 0.113 1.446 -0.614) 1.575 6.079 ( 7.025 -1.570 -1.527) 7.358 6.103 ( -0.631 -3.905 1.144) 4.118 6.208 ( 5.547 -3.644 -1.677) 6.845 6.265 ( -0.733 -3.024 2.542) 4.018 6.301 ( 2.565 -3.383 -1.420) 4.477 6.479 ( -8.063 -0.281 1.902) 8.289 6.537 ( -1.318 -3.652 -0.249) 3.891 6.617 ( -2.935 -5.199 0.236) 5.975 6.673 ( -1.739 0.104 2.252) 2.847 6.695 ( -4.678 0.322 -4.636) 6.594 6.769 ( -0.634 0.724 -1.709) 1.961 6.795 ( -1.155 -2.630 0.035) 2.872 6.941 ( -0.487 -0.910 -1.797) 2.072 7.007 ( -1.808 -0.193 -0.545) 1.898 7.077 ( -5.413 1.190 0.432) 5.559 7.166 ( -8.938 -1.432 -1.941) 9.258 7.262 ( 6.398 -7.955 0.253) 10.211 7.421 ( -7.718 -2.980 2.078) 8.531 7.462 ( -7.450 -4.175 -1.931) 8.756 7.515 ( -5.320 0.752 -2.834) 6.074 7.673 ( 2.118 -0.734 4.883) 5.374 7.735 ( 1.611 -1.947 -0.795) 2.649 7.855 ( 6.194 6.225 2.790) 9.214 7.966 ( -3.098 6.752 0.170) 7.431 8.176 ( 0.027 0.165 0.911) 0.926 8.252 ( 6.830 2.856 -1.115) 7.486 8.363 ( 0.831 1.167 0.436) 1.498 8.397 ( -1.323 0.932 -2.248) 2.770 8.485 ( -5.157 -0.955 -1.211) 5.382 8.540 ( 4.839 -2.128 0.794) 5.345 8.582 ( -0.510 0.421 3.038) 3.110 8.664 ( 0.371 -0.487 1.488) 1.609 8.740 ( -5.756 -1.885 -5.066) 7.897 8.953 ( 2.510 -6.101 1.414) 6.747 9.033 ( 0.024 3.696 -2.148) 4.275 9.133 ( 2.515 -4.047 0.958) 4.860 9.212 ( 0.798 3.007 -1.110) 3.303 9.245 ( -1.229 0.996 -1.231) 2.004 9.288 ( -2.731 -1.939 2.309) 4.068 9.366 ( -8.663 -1.842 0.551) 8.874 9.660 ( 0.550 0.093 -0.942) 1.095 9.781 ( -2.164 4.648 -0.646) 5.167 9.881 ( 3.904 -4.342 0.942) 5.914 9.943 ( -2.279 -1.371 2.060) 3.364 10.049 ( -2.644 4.289 -0.531) 5.066 10.134 ( 0.579 -0.920 -0.692) 1.289 10.293 ( 5.745 0.132 3.144) 6.550 10.362 ( -0.494 4.910 -1.827) 5.262 10.506 ( 1.459 -0.334 -0.251) 1.518 10.622 ( 1.627 3.669 2.667) 4.819 10.734 ( 5.978 -5.946 0.061) 8.432 10.764 ( 8.045 -0.144 -3.546) 8.793 10.821 ( -0.426 -1.483 -1.810) 2.378 10.889 ( -4.645 -1.040 -2.717) 5.481 11.127 ( -0.437 -3.155 1.144) 3.385 11.234 ( -1.269 -0.472 3.429) 3.686 11.313 ( -5.980 -0.399 2.867) 6.644 11.516 ( 2.496 5.949 5.676) 8.593 11.541 ( 2.372 -1.389 -2.768) 3.901 11.585 ( -6.982 5.894 -3.444) 9.765 11.644 ( 0.163 -3.719 -0.252) 3.731 11.698 ( -2.368 -1.761 -0.267) 2.963 11.961 ( -2.461 7.827 -1.691) 8.377 12.073 ( -0.375 0.490 -1.381) 1.512 12.407 ( 0.563 -5.502 3.826) 6.725 12.530 ( -6.955 -6.893 -2.333) 10.066 12.756 ( -1.674 4.617 1.052) 5.022 12.894 ( 0.588 2.741 -0.375) 2.828 13.071 ( 3.057 -3.294 0.873) 4.578 13.208 ( -1.616 -4.957 -1.407) 5.400 13.387 ( -4.775 1.698 -0.531) 5.095 13.468 ( 0.787 1.830 0.307) 2.015 13.843 ( 2.639 1.387 0.286) 2.996 13.933 ( 3.225 -0.581 3.347) 4.684 14.097 ( 3.297 2.183 0.273) 3.964 14.216 ( -0.477 -1.947 -1.470) 2.486 14.535 ( 4.739 -1.103 0.909) 4.950 14.668 ( 2.951 -4.165 -0.787) 5.165 14.826 ( 3.357 -3.499 -4.426) 6.565 14.896 ( 5.342 3.890 2.647) 7.119 14.993 ( 1.594 1.620 0.113) 2.276 15.004 ( 3.507 -4.211 5.914) 8.062 15.115 ( 1.405 1.325 -0.328) 1.959 15.182 ( 2.238 0.780 -4.551) 5.131 15.286 ( 0.771 0.446 -3.061) 3.188 15.377 ( 2.246 0.579 3.219) 3.967 15.538 ( -4.072 5.071 1.706) 6.724 15.802 ( 2.876 1.698 0.218) 3.347 15.957 ( -0.702 -5.268 -0.863) 5.384 16.299 ( 0.294 -7.031 0.949) 7.101 16.417 ( 2.264 3.857 0.236) 4.478 16.537 ( 1.671 -3.766 -0.369) 4.137 16.740 ( 3.295 1.693 -2.375) 4.400 16.822 ( -4.404 -1.992 1.994) 5.229 17.137 ( 0.857 7.492 -1.985) 7.798 17.329 ( 4.881 -0.833 0.601) 4.988 18.202 ( -4.450 2.538 -1.022) 5.224 18.339 ( -0.922 1.320 -1.960) 2.536 18.367 ( -3.929 -0.208 3.713) 5.410 18.520 ( -1.558 -2.056 -0.736) 2.682 18.924 ( -3.739 1.266 0.270) 3.957 19.041 ( -3.773 -1.184 -0.728) 4.021 19.183 ( -3.470 -0.062 -0.324) 3.485 19.371 ( -1.029 -4.928 -0.192) 5.038 25.098 ( 0.198 2.758 -0.110) 2.768 25.369 ( 0.551 1.279 0.047) 1.393 25.617 ( 2.989 -11.054 -0.363) 11.456 26.093 ( 3.422 -22.162 0.320) 22.427 26.926 ( -0.892 6.251 0.299) 6.321 27.056 ( 0.488 2.369 -0.517) 2.474 27.084 ( -0.965 1.730 -0.454) 2.032 27.232 ( -0.602 2.475 1.922) 3.191 28.036 ( 0.472 8.718 -1.308) 8.828 28.125 ( 0.270 4.211 -0.627) 4.266 28.163 ( -0.538 -1.018 -0.799) 1.401 28.239 ( 0.792 15.516 1.774) 15.637 28.520 ( 0.752 3.572 -0.723) 3.721 28.673 ( -0.365 -0.349 1.947) 2.011 29.099 ( 5.633 -0.580 -2.253) 6.095 29.178 ( 8.640 -2.171 1.787) 9.086 29.287 ( 0.044 2.997 -2.866) 4.147 29.449 ( 7.533 0.256 5.200) 9.157 29.476 ( 7.121 -0.823 4.439) 8.431 29.599 ( -7.844 -2.846 -2.640) 8.752 29.756 ( -7.885 1.161 -9.565) 12.450 29.997 ( -8.330 -4.314 -2.033) 9.599 30.101 ( -6.087 1.017 2.621) 6.705 30.243 ( -4.704 -2.991 3.719) 6.701 30.489 ( 0.851 2.690 -0.616) 2.887 30.782 ( 0.622 -4.060 -0.452) 4.132 30.943 ( 0.874 0.904 0.140) 1.265 31.158 ( 0.713 -4.434 1.365) 4.694 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 30.181 0.000) 30.181 1.416 ( 0.000 33.485 0.000) 33.485 1.883 ( 0.000 -13.749 0.000) 13.749 1.964 ( 0.000 21.464 0.000) 21.464 2.026 ( 0.000 -27.337 0.000) 27.337 2.337 ( 0.000 -13.190 0.000) 13.190 2.668 ( 0.000 0.769 0.000) 0.769 2.669 ( 0.000 -0.228 0.000) 0.228 2.830 ( 0.000 6.647 0.000) 6.647 2.866 ( 0.000 2.262 0.000) 2.262 3.056 ( 0.000 12.030 0.000) 12.030 3.156 ( 0.000 4.301 0.000) 4.301 3.224 ( 0.000 1.604 0.000) 1.604 3.311 ( 0.000 -5.181 0.000) 5.181 3.496 ( 0.000 1.265 0.000) 1.265 3.539 ( 0.000 -1.792 0.000) 1.792 3.718 ( 0.000 1.939 0.000) 1.939 3.756 ( 0.000 -1.704 0.000) 1.704 3.799 ( 0.000 11.385 0.000) 11.385 3.855 ( 0.000 -1.177 0.000) 1.177 3.874 ( 0.000 -1.851 0.000) 1.851 3.937 ( 0.000 1.572 0.000) 1.572 4.035 ( 0.000 5.409 0.000) 5.409 4.139 ( 0.000 3.359 0.000) 3.359 4.163 ( 0.000 3.861 0.000) 3.861 4.180 ( 0.000 -5.429 0.000) 5.429 4.269 ( 0.000 3.252 0.000) 3.252 4.322 ( 0.000 -2.077 0.000) 2.077 4.384 ( 0.000 -9.088 0.000) 9.088 4.389 ( 0.000 -8.574 0.000) 8.574 4.670 ( 0.000 3.739 0.000) 3.739 4.695 ( 0.000 1.993 0.000) 1.993 4.723 ( 0.000 -1.245 0.000) 1.245 4.749 ( 0.000 -3.278 0.000) 3.278 4.768 ( 0.000 9.956 0.000) 9.956 4.899 ( 0.000 9.169 0.000) 9.169 4.980 ( 0.000 -5.244 0.000) 5.244 5.069 ( 0.000 -1.376 0.000) 1.376 5.080 ( 0.000 -5.707 0.000) 5.707 5.196 ( 0.000 -8.395 0.000) 8.395 5.239 ( 0.000 1.532 0.000) 1.532 5.262 ( 0.000 -0.653 0.000) 0.653 5.421 ( 0.000 7.334 0.000) 7.334 5.578 ( 0.000 -7.448 0.000) 7.448 5.797 ( 0.000 8.431 0.000) 8.431 5.867 ( 0.000 5.724 0.000) 5.724 5.964 ( 0.000 -5.985 0.000) 5.985 5.977 ( 0.000 -2.963 0.000) 2.963 6.134 ( 0.000 5.118 0.000) 5.118 6.222 ( 0.000 -0.009 0.000) 0.009 6.347 ( 0.000 4.123 0.000) 4.123 6.420 ( 0.000 -6.461 0.000) 6.461 6.457 ( 0.000 5.946 0.000) 5.946 6.594 ( 0.000 8.668 0.000) 8.668 6.640 ( 0.000 -7.290 0.000) 7.290 6.760 ( 0.000 -1.671 0.000) 1.671 6.768 ( 0.000 -2.894 0.000) 2.894 6.793 ( 0.000 -5.173 0.000) 5.173 6.847 ( 0.000 -3.263 0.000) 3.263 6.886 ( 0.000 -8.152 0.000) 8.152 7.074 ( 0.000 -0.113 0.000) 0.113 7.105 ( 0.000 -2.629 0.000) 2.629 7.319 ( 0.000 3.272 0.000) 3.272 7.367 ( 0.000 -0.308 0.000) 0.308 7.567 ( 0.000 2.243 0.000) 2.243 7.621 ( 0.000 -3.313 0.000) 3.313 7.731 ( 0.000 5.036 0.000) 5.036 7.792 ( 0.000 -0.424 0.000) 0.424 7.826 ( 0.000 0.847 0.000) 0.847 7.826 ( 0.000 1.930 0.000) 1.930 7.912 ( 0.000 6.453 0.000) 6.453 8.021 ( 0.000 0.453 0.000) 0.453 8.053 ( 0.000 -3.030 0.000) 3.030 8.089 ( 0.000 -5.319 0.000) 5.319 8.186 ( 0.000 0.247 0.000) 0.247 8.269 ( 0.000 -7.184 0.000) 7.184 8.338 ( 0.000 -0.694 0.000) 0.694 8.399 ( 0.000 -9.802 0.000) 9.802 8.684 ( 0.000 3.692 0.000) 3.692 8.722 ( 0.000 1.522 0.000) 1.522 8.737 ( 0.000 -0.898 0.000) 0.898 8.774 ( 0.000 -1.747 0.000) 1.747 8.923 ( 0.000 5.371 0.000) 5.371 9.025 ( 0.000 0.119 0.000) 0.119 9.085 ( 0.000 -2.262 0.000) 2.262 9.090 ( 0.000 -5.858 0.000) 5.858 9.414 ( 0.000 2.772 0.000) 2.772 9.477 ( 0.000 -2.127 0.000) 2.127 9.837 ( 0.000 9.018 0.000) 9.018 9.946 ( 0.000 4.376 0.000) 4.376 9.961 ( 0.000 0.172 0.000) 0.172 10.061 ( 0.000 -3.258 0.000) 3.258 10.092 ( 0.000 2.151 0.000) 2.151 10.157 ( 0.000 -4.217 0.000) 4.217 10.216 ( 0.000 5.424 0.000) 5.424 10.310 ( 0.000 -3.150 0.000) 3.150 10.554 ( 0.000 0.396 0.000) 0.396 10.567 ( 0.000 -0.434 0.000) 0.434 10.626 ( 0.000 1.839 0.000) 1.839 10.683 ( 0.000 -3.862 0.000) 3.862 10.992 ( 0.000 2.064 0.000) 2.064 11.052 ( 0.000 -3.726 0.000) 3.726 11.209 ( 0.000 3.276 0.000) 3.276 11.282 ( 0.000 -2.991 0.000) 2.991 11.385 ( 0.000 6.623 0.000) 6.623 11.514 ( 0.000 -6.664 0.000) 6.664 11.658 ( 0.000 1.002 0.000) 1.002 11.704 ( 0.000 -2.961 0.000) 2.961 11.937 ( 0.000 5.956 0.000) 5.956 12.023 ( 0.000 -0.803 0.000) 0.803 12.144 ( 0.000 1.627 0.000) 1.627 12.208 ( 0.000 -5.754 0.000) 5.754 12.705 ( 0.000 1.317 0.000) 1.317 12.733 ( 0.000 -1.422 0.000) 1.422 12.881 ( 0.000 3.023 0.000) 3.023 12.945 ( 0.000 -3.347 0.000) 3.347 13.095 ( 0.000 3.768 0.000) 3.768 13.163 ( 0.000 -2.245 0.000) 2.245 13.238 ( 0.000 0.404 0.000) 0.404 13.261 ( 0.000 -0.977 0.000) 0.977 13.480 ( 0.000 7.887 0.000) 7.887 13.636 ( 0.000 -7.252 0.000) 7.252 13.915 ( 0.000 -0.376 0.000) 0.376 13.955 ( 0.000 -4.487 0.000) 4.487 14.052 ( 0.000 4.127 0.000) 4.127 14.125 ( 0.000 -2.892 0.000) 2.892 14.369 ( 0.000 10.715 0.000) 10.715 14.564 ( 0.000 -7.350 0.000) 7.350 14.890 ( 0.000 3.456 0.000) 3.456 14.926 ( 0.000 -1.014 0.000) 1.014 15.020 ( 0.000 1.475 0.000) 1.475 15.073 ( 0.000 -3.007 0.000) 3.007 15.170 ( 0.000 1.662 0.000) 1.662 15.230 ( 0.000 -3.055 0.000) 3.055 15.596 ( 0.000 2.476 0.000) 2.476 15.645 ( 0.000 -2.362 0.000) 2.362 16.118 ( 0.000 -0.730 0.000) 0.730 16.138 ( 0.000 -2.414 0.000) 2.414 16.350 ( 0.000 2.064 0.000) 2.064 16.360 ( 0.000 3.776 0.000) 3.776 16.451 ( 0.000 -1.750 0.000) 1.750 16.499 ( 0.000 -4.080 0.000) 4.080 16.955 ( 0.000 3.291 0.000) 3.291 16.986 ( 0.000 0.281 0.000) 0.281 18.452 ( 0.000 0.530 0.000) 0.530 18.459 ( 0.000 -0.168 0.000) 0.168 18.633 ( 0.000 2.802 0.000) 2.802 18.699 ( 0.000 -3.716 0.000) 3.716 19.317 ( 0.000 2.724 0.000) 2.724 19.372 ( 0.000 -2.651 0.000) 2.651 19.499 ( 0.000 1.270 0.000) 1.270 19.519 ( 0.000 -0.851 0.000) 0.851 25.196 ( 0.000 1.419 0.000) 1.419 25.224 ( 0.000 -1.365 0.000) 1.365 25.314 ( 0.000 1.123 0.000) 1.123 25.336 ( 0.000 -1.065 0.000) 1.065 27.023 ( 0.000 -0.493 0.000) 0.493 27.028 ( 0.000 -1.194 0.000) 1.194 27.182 ( 0.000 3.595 0.000) 3.595 27.270 ( 0.000 -5.027 0.000) 5.027 28.108 ( 0.000 2.214 0.000) 2.214 28.148 ( 0.000 -1.062 0.000) 1.062 28.245 ( 0.000 6.856 0.000) 6.856 28.331 ( 0.000 -1.357 0.000) 1.357 28.390 ( 0.000 4.250 0.000) 4.250 28.460 ( 0.000 -2.554 0.000) 2.554 28.780 ( 0.000 -1.100 0.000) 1.100 28.783 ( 0.000 -1.495 0.000) 1.495 28.960 ( 0.000 1.729 0.000) 1.729 28.976 ( 0.000 0.182 0.000) 0.182 30.095 ( 0.000 5.360 0.000) 5.360 30.197 ( 0.000 -4.100 0.000) 4.100 30.286 ( 0.000 3.883 0.000) 3.883 30.393 ( 0.000 -5.989 0.000) 5.989 30.451 ( 0.000 0.947 0.000) 0.947 30.487 ( 0.000 -3.174 0.000) 3.174 30.489 ( 0.000 0.627 0.000) 0.627 30.508 ( 0.000 -1.764 0.000) 1.764 30.944 ( 0.000 0.942 0.000) 0.942 30.962 ( 0.000 -0.680 0.000) 0.680 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 6.840 25.867 12.910) 29.708 1.577 ( 16.429 26.785 -2.137) 31.495 1.892 ( -0.905 -18.072 4.987) 18.769 2.081 ( 8.126 -23.049 4.810) 24.909 2.271 ( 24.652 18.825 -2.401) 31.110 2.499 ( 9.241 -6.168 -6.011) 12.632 2.630 ( -2.950 2.265 -5.650) 6.764 2.714 ( -0.842 -4.665 -5.598) 7.335 2.849 ( 3.868 6.957 0.181) 7.962 2.898 ( 4.390 1.963 1.668) 5.090 3.019 ( -8.827 6.379 -2.026) 11.077 3.092 ( -2.472 7.970 1.730) 8.522 3.157 ( -3.687 3.043 -1.864) 5.131 3.246 ( -3.124 -6.714 3.787) 8.318 3.524 ( 5.005 2.500 0.907) 5.667 3.583 ( 5.862 -3.164 2.249) 7.031 3.684 ( -2.464 6.920 11.358) 13.527 3.718 ( -0.268 2.485 2.483) 3.523 3.820 ( -1.168 1.626 -0.344) 2.031 3.878 ( 2.900 -1.675 -0.486) 3.384 3.901 ( 1.006 4.015 -4.379) 6.025 3.983 ( 4.128 -1.512 0.611) 4.438 4.084 ( 4.546 1.178 -3.365) 5.777 4.133 ( -4.356 -2.799 -3.267) 6.122 4.163 ( 5.225 3.633 -3.586) 7.305 4.228 ( 5.005 1.322 -1.372) 5.355 4.331 ( 2.628 2.717 4.215) 5.662 4.370 ( 10.388 1.549 -3.882) 11.198 4.448 ( 6.933 -10.510 3.364) 13.032 4.528 ( 5.865 -7.834 3.485) 10.388 4.672 ( -0.536 3.953 -5.157) 6.520 4.707 ( 3.133 3.603 1.226) 4.929 4.732 ( -1.508 2.654 -3.676) 4.778 4.742 ( -0.370 0.677 -0.758) 1.082 4.808 ( 3.334 -2.179 -0.887) 4.081 4.908 ( -3.445 -5.865 0.663) 6.835 5.050 ( 8.318 10.445 4.799) 14.189 5.056 ( 0.065 0.327 4.591) 4.603 5.101 ( -2.677 2.373 1.468) 3.867 5.153 ( -9.155 -0.386 -5.010) 10.444 5.202 ( 5.732 -2.847 -3.123) 7.121 5.318 ( 9.704 -8.061 -2.947) 12.955 5.458 ( 2.448 5.969 6.090) 8.872 5.571 ( -0.349 -5.480 4.644) 7.192 5.739 ( -0.290 3.967 -7.968) 8.906 5.847 ( -6.033 -2.494 -6.767) 9.403 5.948 ( 1.341 4.717 4.391) 6.582 5.994 ( -5.323 2.368 3.191) 6.643 6.083 ( -5.788 3.638 1.157) 6.934 6.172 ( -3.526 -1.542 -0.096) 3.850 6.313 ( 0.477 1.608 -2.584) 3.080 6.380 ( -3.966 -3.379 3.054) 6.039 6.408 ( -2.575 1.306 -3.844) 4.808 6.488 ( -8.871 2.944 -0.622) 9.367 6.600 ( -2.501 -3.102 2.474) 4.691 6.706 ( -5.370 -4.744 1.715) 7.368 6.757 ( -2.311 -3.252 5.767) 7.012 6.760 ( -1.745 -0.105 -1.342) 2.204 6.812 ( -8.042 -4.518 -9.633) 13.337 6.860 ( -0.800 -4.679 -6.279) 7.871 7.066 ( 0.238 2.588 5.413) 6.004 7.110 ( -3.109 -1.923 5.618) 6.703 7.275 ( -2.489 4.273 9.347) 10.575 7.310 ( -2.686 0.073 4.250) 5.028 7.456 ( -6.751 0.373 -1.901) 7.024 7.567 ( -6.537 -7.452 -3.235) 10.427 7.691 ( -8.424 2.950 -8.256) 12.158 7.704 ( -3.430 3.388 -6.010) 7.705 7.784 ( -2.411 -1.171 2.053) 3.376 7.793 ( -3.547 -1.341 -2.029) 4.301 7.882 ( -0.661 7.030 3.606) 7.929 8.033 ( 0.685 -4.798 0.787) 4.910 8.110 ( 6.939 2.649 -2.555) 7.855 8.179 ( 1.431 1.836 -0.764) 2.450 8.268 ( 7.025 -3.847 2.256) 8.321 8.319 ( 2.546 -2.910 3.247) 5.049 8.363 ( 1.839 -0.302 -4.558) 4.924 8.436 ( 2.921 -9.759 -6.799) 12.247 8.671 ( -0.566 2.813 -2.374) 3.725 8.723 ( -0.422 -1.810 -1.412) 2.334 8.740 ( -0.794 0.964 0.093) 1.252 8.794 ( 2.812 -4.779 6.494) 8.539 8.963 ( 4.090 6.755 1.472) 8.033 9.038 ( 1.379 1.838 -0.116) 2.301 9.095 ( 1.449 -1.984 -0.030) 2.457 9.131 ( 2.971 -6.997 3.599) 8.411 9.441 ( 2.304 1.871 -4.450) 5.349 9.488 ( 0.918 -1.622 -3.767) 4.203 9.836 ( -2.571 7.799 0.644) 8.237 9.896 ( -5.888 1.710 4.620) 7.677 9.995 ( 3.323 0.070 1.417) 3.613 10.012 ( 0.354 -2.324 0.583) 2.422 10.038 ( -6.105 4.691 -2.731) 8.169 10.142 ( -4.758 -3.344 -0.905) 5.886 10.274 ( 5.297 1.644 -0.161) 5.548 10.322 ( 3.635 -2.657 2.956) 5.386 10.471 ( -7.148 3.084 1.395) 7.909 10.517 ( -3.642 -1.829 2.359) 4.709 10.627 ( -0.387 2.330 2.019) 3.107 10.663 ( -1.171 -1.338 1.115) 2.099 10.956 ( -5.820 3.944 -1.772) 7.250 11.013 ( 0.976 -1.611 -2.164) 2.869 11.196 ( -2.879 1.510 -3.251) 4.598 11.227 ( -2.008 -0.934 -6.663) 7.021 11.378 ( -0.996 3.382 4.448) 5.676 11.498 ( -1.101 -7.521 -0.773) 7.641 11.630 ( -2.352 1.876 0.411) 3.037 11.670 ( -3.927 -1.044 3.779) 5.549 11.852 ( -5.725 1.587 3.574) 6.933 11.900 ( -7.705 -1.786 1.645) 8.078 12.105 ( -2.537 2.409 0.171) 3.503 12.162 ( -4.226 -2.750 -1.959) 5.409 12.614 ( -5.487 5.617 -7.086) 10.577 12.710 ( -2.677 -3.991 -8.788) 10.016 12.946 ( 0.155 5.185 1.975) 5.551 13.019 ( -2.204 0.291 3.020) 3.750 13.086 ( 5.319 -1.138 0.659) 5.479 13.098 ( -3.976 -2.240 0.129) 4.565 13.356 ( 5.463 1.854 -0.875) 5.835 13.438 ( 1.079 -4.898 2.255) 5.499 13.547 ( 9.931 3.031 7.877) 13.033 13.609 ( 12.407 -2.292 9.251) 15.645 14.006 ( 3.358 2.648 1.192) 4.440 14.064 ( 6.205 -3.449 2.022) 7.382 14.153 ( 8.129 0.036 -0.853) 8.174 14.207 ( 10.258 -4.910 -2.846) 11.724 14.446 ( 9.303 7.849 -1.734) 12.294 14.603 ( 5.458 -6.842 -0.076) 8.753 14.873 ( -1.396 3.100 0.289) 3.412 14.922 ( -0.273 -1.854 1.965) 2.716 15.045 ( 3.098 3.264 -1.957) 4.908 15.111 ( 2.973 -1.703 -1.000) 3.569 15.170 ( 1.925 4.262 -2.434) 5.272 15.297 ( 3.373 -6.722 3.567) 8.324 15.608 ( 1.491 3.117 3.090) 4.636 15.671 ( 1.924 -2.935 -2.074) 4.077 16.033 ( -3.067 3.856 -0.914) 5.011 16.143 ( -1.360 -6.688 0.262) 6.830 16.406 ( 1.268 4.744 0.125) 4.912 16.469 ( 0.227 -1.939 -0.853) 2.131 16.537 ( 10.718 -1.164 1.114) 10.839 16.583 ( 13.053 -4.896 -2.406) 14.147 17.005 ( 4.981 2.855 -3.010) 6.482 17.037 ( 5.643 -0.315 -2.139) 6.043 18.429 ( -3.139 0.451 -0.275) 3.183 18.432 ( -2.025 0.105 0.384) 2.064 18.590 ( -3.987 1.322 0.014) 4.201 18.630 ( -6.110 -2.582 -0.303) 6.640 19.250 ( -6.510 2.826 0.018) 7.097 19.307 ( -6.751 -2.630 0.053) 7.245 19.437 ( -5.119 0.525 0.119) 5.148 19.449 ( -6.486 -0.634 -0.080) 6.517 25.180 ( -0.566 3.797 -0.117) 3.841 25.266 ( 3.353 -4.614 -0.285) 5.710 25.340 ( 2.792 2.952 0.344) 4.078 25.437 ( 8.199 -6.831 0.538) 10.685 27.025 ( 0.499 1.030 -0.331) 1.191 27.043 ( 1.218 -0.778 -0.753) 1.629 27.172 ( -0.968 3.332 0.469) 3.501 27.254 ( -1.432 -4.474 2.520) 5.330 28.109 ( 0.186 1.979 -2.310) 3.048 28.143 ( -0.261 -1.120 -0.652) 1.322 28.262 ( 1.585 8.700 -0.597) 8.863 28.377 ( 3.974 -0.458 0.703) 4.062 28.416 ( 2.805 4.127 0.510) 5.016 28.505 ( 3.886 -4.419 2.576) 6.424 28.825 ( 4.644 -0.238 -0.070) 4.650 28.844 ( 5.247 -1.886 -1.009) 5.666 29.026 ( 6.378 1.008 1.426) 6.613 29.033 ( 6.622 0.165 -0.082) 6.624 29.928 ( -14.752 6.542 -0.847) 16.160 30.048 ( -12.395 -5.427 0.097) 13.531 30.198 ( -10.408 8.343 -6.622) 14.893 30.305 ( -5.930 -2.001 -5.442) 8.294 30.366 ( -1.871 0.722 3.487) 4.023 30.433 ( -3.927 -6.012 5.269) 8.906 30.587 ( 0.201 1.722 -1.878) 2.556 30.611 ( 5.533 -1.305 -2.147) 6.076 30.910 ( -0.915 1.056 -3.415) 3.689 30.959 ( 0.314 -4.249 9.353) 10.278 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 16.688 13.017 9.827) 23.334 1.884 ( 8.203 0.714 6.117) 10.258 1.976 ( 15.148 7.454 -3.619) 17.266 2.271 ( 8.536 -14.877 -0.833) 17.172 2.457 ( -4.678 8.254 -1.522) 9.609 2.560 ( -6.764 8.515 0.234) 10.877 2.577 ( -2.312 -1.777 -8.544) 9.028 2.719 ( 4.880 1.318 4.165) 6.550 2.761 ( -7.534 -0.187 -3.749) 8.418 2.895 ( -7.320 -5.037 -1.423) 8.999 2.981 ( -1.763 4.517 0.949) 4.941 3.041 ( 1.891 0.835 -0.970) 2.283 3.276 ( 13.759 1.203 -3.451) 14.236 3.325 ( 13.586 -4.389 -0.617) 14.290 3.592 ( -3.157 4.278 1.732) 5.592 3.636 ( -0.277 -0.975 1.914) 2.166 3.692 ( 0.833 7.012 4.873) 8.580 3.801 ( 3.685 -2.367 0.757) 4.445 3.840 ( 2.765 4.241 -0.458) 5.083 3.901 ( 5.579 3.550 -0.284) 6.619 3.966 ( 0.902 -0.924 -4.060) 4.260 4.004 ( 0.592 -0.755 -4.621) 4.720 4.126 ( 4.674 1.600 3.554) 6.085 4.213 ( 0.317 -1.577 2.358) 2.854 4.273 ( 3.527 1.170 3.892) 5.381 4.342 ( 2.665 -2.471 0.572) 3.680 4.409 ( 9.584 8.815 6.706) 14.647 4.477 ( 2.882 6.341 0.813) 7.013 4.543 ( 1.817 1.726 3.197) 4.062 4.629 ( 3.229 -6.015 -0.790) 6.872 4.637 ( -2.674 4.561 -4.726) 7.091 4.703 ( 0.338 1.379 -5.604) 5.781 4.726 ( 4.647 -2.380 -1.455) 5.420 4.793 ( 4.957 -3.187 2.514) 6.407 4.898 ( 3.744 -1.706 2.592) 4.863 4.918 ( -3.612 5.097 -4.800) 7.878 4.989 ( 9.921 -5.818 0.677) 11.521 5.023 ( 3.607 -7.108 -4.532) 9.170 5.176 ( 6.230 5.794 -0.024) 8.508 5.287 ( 9.059 3.034 6.269) 11.427 5.321 ( 4.711 2.660 1.012) 5.504 5.433 ( -1.735 2.542 -2.047) 3.696 5.501 ( 0.654 4.800 3.836) 6.179 5.578 ( 0.687 -6.377 3.022) 7.091 5.768 ( -1.545 4.334 -1.848) 4.958 5.813 ( 2.334 -4.526 0.761) 5.149 5.830 ( -5.044 2.530 -0.265) 5.649 5.882 ( -3.658 -3.421 -2.647) 5.665 5.970 ( -5.085 -2.576 -0.312) 5.709 6.048 ( -7.631 -3.355 -2.152) 8.610 6.277 ( -4.207 1.505 -0.183) 4.472 6.297 ( -7.192 0.508 2.576) 7.657 6.389 ( -3.892 -0.033 0.655) 3.946 6.422 ( 3.963 -0.670 -1.874) 4.435 6.554 ( -2.980 0.102 0.854) 3.102 6.592 ( -2.082 2.258 -2.279) 3.824 6.665 ( -4.581 -6.558 -4.743) 9.299 6.673 ( -2.919 -4.623 3.865) 6.695 6.766 ( 1.633 2.834 -0.600) 3.325 6.854 ( 0.598 -3.668 -8.528) 9.302 6.995 ( -4.926 -0.547 1.355) 5.138 7.033 ( -5.276 -3.316 4.730) 7.824 7.129 ( -10.251 3.894 -2.001) 11.147 7.230 ( -8.165 -2.185 0.417) 8.463 7.454 ( -8.670 1.478 -2.585) 9.167 7.476 ( 0.722 -4.289 1.484) 4.596 7.530 ( -0.134 -1.575 2.799) 3.214 7.568 ( -8.791 -4.194 -1.701) 9.888 7.685 ( -6.777 1.359 -1.468) 7.066 7.705 ( -3.859 0.133 -0.687) 3.922 7.912 ( 2.629 8.474 4.174) 9.805 8.050 ( 0.546 -3.581 2.363) 4.325 8.177 ( 0.242 5.389 0.327) 5.405 8.250 ( 4.208 3.060 -6.005) 7.945 8.328 ( 2.256 -2.785 5.118) 6.248 8.355 ( 2.397 0.511 1.887) 3.093 8.435 ( 4.147 -1.436 -1.451) 4.623 8.469 ( 0.377 -6.776 -4.953) 8.402 8.645 ( -2.168 2.496 -2.501) 4.146 8.699 ( -1.790 -1.114 -2.273) 3.100 8.746 ( 0.865 0.004 -2.950) 3.075 8.818 ( -0.820 -6.004 1.647) 6.280 9.050 ( 3.839 4.748 4.961) 7.867 9.083 ( 2.578 3.898 -1.659) 4.959 9.135 ( 2.616 -3.572 1.855) 4.800 9.186 ( 1.958 -5.720 3.249) 6.864 9.437 ( -4.021 3.257 -6.089) 7.991 9.503 ( -1.708 -4.556 -6.233) 7.907 9.699 ( -8.117 5.024 5.008) 10.780 9.764 ( -4.413 -1.647 3.879) 6.102 9.933 ( -3.540 2.933 1.065) 4.719 9.989 ( -4.128 -2.088 2.761) 5.388 10.087 ( 4.025 2.043 -1.759) 4.845 10.136 ( 5.924 -1.522 0.576) 6.144 10.299 ( -5.950 5.943 0.131) 8.410 10.391 ( 4.797 -1.248 0.076) 4.957 10.432 ( 1.255 1.851 0.809) 2.379 10.485 ( 4.975 -5.073 1.364) 7.235 10.643 ( 1.518 1.929 1.656) 2.961 10.666 ( 1.844 -0.449 0.595) 1.989 10.885 ( -1.715 5.762 -4.513) 7.517 10.988 ( -3.496 -3.726 -4.343) 6.706 11.121 ( -3.312 3.450 -1.876) 5.137 11.200 ( -1.878 -4.080 -1.924) 4.886 11.405 ( 4.277 3.077 0.870) 5.340 11.501 ( 1.418 -6.061 1.077) 6.317 11.535 ( -7.790 1.983 7.799) 11.200 11.597 ( -3.282 -0.719 7.163) 7.911 11.756 ( -3.443 1.232 0.359) 3.674 11.800 ( -3.961 -1.836 -1.752) 4.704 12.059 ( -2.412 1.631 -1.860) 3.455 12.091 ( -0.576 -0.647 -3.723) 3.822 12.473 ( -9.294 5.502 -4.383) 11.656 12.598 ( -8.894 -6.149 -6.055) 12.393 12.906 ( -3.943 3.717 3.456) 6.427 12.948 ( -2.998 0.099 2.937) 4.198 13.016 ( -0.910 2.701 -0.673) 2.929 13.119 ( -0.666 -6.350 -1.731) 6.616 13.452 ( 2.451 0.108 -0.707) 2.553 13.461 ( 1.163 -0.714 1.001) 1.692 13.788 ( 9.572 2.957 7.992) 12.816 13.829 ( 7.175 -0.314 7.144) 10.130 14.054 ( 3.795 3.802 -0.776) 5.428 14.139 ( 2.534 -4.134 -2.053) 5.266 14.347 ( 11.318 1.288 -0.523) 11.403 14.430 ( 10.087 -6.726 -0.513) 12.135 14.695 ( 13.105 3.297 -2.909) 13.823 14.766 ( 7.675 -3.800 1.080) 8.632 14.873 ( 3.254 1.935 2.919) 4.781 14.929 ( 1.687 -3.270 3.407) 5.015 15.119 ( 3.793 5.571 -0.668) 6.773 15.167 ( 3.476 2.363 -0.743) 4.268 15.238 ( 4.139 0.821 -6.573) 7.811 15.335 ( 0.761 -5.427 3.309) 6.402 15.638 ( 0.709 2.590 2.935) 3.977 15.702 ( 1.123 -3.522 -2.067) 4.235 16.001 ( -0.475 5.370 -0.681) 5.434 16.131 ( 0.154 -7.462 -0.350) 7.472 16.428 ( 1.725 2.633 -0.485) 3.185 16.469 ( 0.446 -1.824 0.144) 1.883 16.703 ( 5.916 2.829 1.443) 6.715 16.784 ( 5.077 -4.334 1.497) 6.841 17.134 ( 7.728 3.042 -4.438) 9.417 17.186 ( 7.977 -2.108 -3.104) 8.815 18.344 ( -4.993 1.698 -0.088) 5.274 18.378 ( -3.307 -1.373 1.056) 3.733 18.486 ( -5.937 1.316 1.069) 6.175 18.524 ( -3.990 -2.347 -0.953) 4.726 19.092 ( -8.673 2.485 -0.425) 9.032 19.139 ( -9.011 -2.098 -0.972) 9.303 19.306 ( -7.231 0.730 0.056) 7.268 19.337 ( -4.747 -2.489 0.489) 5.383 25.181 ( 0.483 5.991 -0.197) 6.014 25.332 ( 3.155 -8.933 -0.277) 9.477 25.405 ( 3.317 5.880 0.339) 6.760 25.596 ( 7.150 -13.637 0.475) 15.405 27.042 ( 1.108 3.633 -0.590) 3.843 27.069 ( 1.397 0.386 -1.332) 1.968 27.148 ( -1.411 2.790 0.786) 3.224 27.226 ( -1.466 -4.019 3.145) 5.310 28.114 ( 0.436 1.515 -2.740) 3.161 28.140 ( -0.060 -1.157 -0.882) 1.456 28.294 ( 1.376 11.412 0.063) 11.495 28.458 ( 4.164 3.762 2.641) 6.202 28.486 ( 3.448 0.641 -1.533) 3.828 28.594 ( 4.869 -4.119 2.834) 6.979 28.949 ( 7.941 -0.117 -0.218) 7.945 28.965 ( 6.912 -1.666 -0.431) 7.122 29.204 ( 11.503 1.332 1.849) 11.726 29.228 ( 12.240 -1.116 1.500) 12.382 29.625 ( -14.400 9.119 -1.964) 17.158 29.769 ( -15.028 -5.946 -1.316) 16.216 29.994 ( -9.980 6.478 -8.623) 14.694 30.123 ( -11.514 -5.222 -7.950) 14.935 30.281 ( -7.911 0.785 5.355) 9.585 30.319 ( -8.272 -3.114 9.431) 12.925 30.559 ( -0.418 5.465 -1.756) 5.755 30.669 ( 1.022 -5.207 -1.417) 5.492 30.931 ( 2.702 2.108 0.414) 3.452 31.008 ( 3.312 -5.573 3.082) 7.178 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 8.463 8.677 4.311) 12.865 2.093 ( 12.602 0.100 4.187) 13.279 2.194 ( 0.437 3.712 -1.586) 4.060 2.279 ( -4.851 2.018 -6.475) 8.338 2.402 ( 4.304 7.710 1.705) 8.992 2.493 ( 1.312 2.556 1.258) 3.136 2.583 ( 1.496 -2.698 -3.562) 4.712 2.648 ( -9.670 4.368 -0.035) 10.611 2.713 ( -2.829 -11.634 -2.309) 12.194 2.725 ( -2.375 -2.263 2.845) 4.343 3.001 ( 1.664 3.034 -0.972) 3.594 3.044 ( -0.358 0.101 0.373) 0.526 3.477 ( -2.075 5.723 -2.699) 6.659 3.519 ( 3.908 2.719 1.406) 4.964 3.556 ( 4.218 -1.100 -1.141) 4.506 3.616 ( -0.303 -5.187 1.909) 5.536 3.705 ( 0.576 4.721 0.041) 4.757 3.820 ( 2.556 -3.651 -2.074) 4.916 3.899 ( 2.146 2.946 -2.401) 4.364 3.931 ( -0.328 -0.952 1.744) 2.013 3.993 ( 2.301 4.018 -2.202) 5.127 4.062 ( 2.577 -0.697 2.767) 3.845 4.143 ( -5.421 1.603 -4.664) 7.329 4.197 ( -1.947 -3.595 -1.577) 4.382 4.246 ( -0.643 0.370 4.306) 4.370 4.263 ( -1.101 -0.279 2.623) 2.858 4.467 ( 0.453 9.246 -1.534) 9.383 4.556 ( -5.759 4.392 -0.915) 7.301 4.596 ( -1.389 0.902 4.143) 4.462 4.631 ( 2.237 -1.986 -0.933) 3.133 4.719 ( 5.296 3.823 4.508) 7.936 4.789 ( 7.411 1.082 1.457) 7.630 4.839 ( 3.627 2.082 -0.351) 4.197 4.908 ( 9.299 -2.053 0.482) 9.535 4.983 ( 9.156 13.597 0.882) 16.416 5.011 ( 7.603 4.861 2.794) 9.447 5.124 ( 0.551 -5.833 -1.944) 6.173 5.228 ( 2.783 -1.846 -2.129) 3.961 5.261 ( -4.674 1.328 -5.461) 7.310 5.284 ( -1.831 3.425 2.269) 4.498 5.341 ( 0.258 -1.075 -3.778) 3.936 5.457 ( 10.071 1.606 3.843) 10.898 5.533 ( 5.909 -6.079 6.928) 10.949 5.564 ( -2.295 2.176 1.840) 3.659 5.649 ( -6.423 -2.969 -0.138) 7.077 5.718 ( -8.076 -2.817 2.411) 8.886 5.856 ( -2.772 -4.558 -5.741) 7.837 5.862 ( -2.696 -1.724 0.974) 3.345 5.910 ( 4.544 -3.256 -1.999) 5.937 6.018 ( 2.287 -6.268 -0.766) 6.716 6.222 ( 0.610 1.420 1.648) 2.259 6.270 ( -0.584 -3.111 0.613) 3.224 6.308 ( 0.513 7.240 0.717) 7.293 6.433 ( -0.229 -3.573 1.170) 3.767 6.494 ( -4.474 -3.934 -4.483) 7.457 6.497 ( -4.466 -1.186 -1.954) 5.017 6.668 ( 0.597 0.958 -0.624) 1.289 6.726 ( 1.444 -2.221 -2.883) 3.915 6.765 ( -2.127 2.972 2.642) 4.510 6.813 ( -0.616 1.389 -1.257) 1.972 6.922 ( -1.850 1.029 -1.665) 2.694 6.971 ( 0.642 -2.568 -1.288) 2.944 7.029 ( -4.534 -3.929 -0.373) 6.012 7.068 ( -1.861 -6.446 0.476) 6.726 7.241 ( -7.540 4.008 -2.537) 8.908 7.333 ( -9.805 -4.897 -1.320) 11.039 7.442 ( -3.785 2.286 0.931) 4.519 7.510 ( -4.207 -2.795 -1.145) 5.179 7.676 ( 3.244 0.433 4.748) 5.767 7.695 ( 1.298 -0.941 -0.740) 1.765 7.977 ( 3.354 5.580 3.144) 7.230 8.052 ( -0.296 -0.220 1.320) 1.370 8.192 ( 0.404 4.223 1.862) 4.633 8.316 ( 4.201 -1.908 -2.226) 5.123 8.334 ( -0.411 0.361 0.588) 0.803 8.423 ( -1.856 -4.066 -1.068) 4.595 8.452 ( 1.509 2.897 0.944) 3.400 8.501 ( 2.012 -1.506 0.805) 2.639 8.605 ( -1.148 2.983 -1.774) 3.656 8.668 ( -0.697 -1.224 -0.402) 1.465 8.738 ( -1.228 1.819 -3.711) 4.311 8.815 ( 0.773 -6.310 0.200) 6.360 9.105 ( 1.671 2.710 1.323) 3.447 9.112 ( 0.695 2.007 0.167) 2.130 9.186 ( 2.077 -2.937 1.147) 3.776 9.203 ( -0.092 -3.480 1.364) 3.739 9.314 ( -5.495 1.880 -2.536) 6.337 9.343 ( -8.552 -1.181 -1.582) 8.777 9.683 ( 2.004 1.911 0.325) 2.788 9.740 ( 0.338 -4.382 2.006) 4.832 9.880 ( -1.389 3.935 0.477) 4.200 9.945 ( -1.151 -2.188 2.313) 3.385 10.137 ( 0.945 3.170 -0.912) 3.431 10.159 ( -1.926 2.023 -0.483) 2.835 10.308 ( 5.111 2.748 1.237) 5.934 10.387 ( -2.455 -2.648 -2.015) 4.135 10.528 ( 4.580 2.402 1.817) 5.482 10.600 ( 3.820 -5.440 0.081) 6.648 10.686 ( 2.791 1.915 0.988) 3.526 10.727 ( 3.817 -2.346 -0.418) 4.499 10.858 ( -2.354 3.729 -1.737) 4.739 10.897 ( -3.643 0.744 -4.581) 5.900 11.086 ( -0.373 0.127 -0.143) 0.419 11.161 ( -1.481 -5.828 -0.280) 6.020 11.381 ( -5.509 6.319 6.502) 10.609 11.492 ( -0.019 -2.485 -3.898) 4.623 11.520 ( 0.129 -2.626 7.624) 8.064 11.556 ( 1.658 -4.339 -1.040) 4.760 11.723 ( -1.842 4.398 1.587) 5.025 11.733 ( -0.999 2.844 -3.134) 4.349 12.061 ( 3.146 3.405 -1.911) 5.015 12.125 ( 1.582 0.997 -1.631) 2.482 12.293 ( -5.556 -1.158 0.454) 5.694 12.394 ( -9.958 -7.050 -2.246) 12.406 12.857 ( -1.031 4.941 1.106) 5.167 12.925 ( -0.096 -0.985 0.950) 1.372 13.033 ( 1.436 0.875 0.027) 1.682 13.102 ( -0.712 -5.121 -1.154) 5.298 13.430 ( -2.114 2.553 -0.006) 3.315 13.474 ( -0.031 -1.373 0.471) 1.452 13.889 ( 2.167 2.858 0.573) 3.632 13.926 ( 2.451 -0.540 2.152) 3.306 14.131 ( 2.935 1.263 1.010) 3.351 14.168 ( 0.169 -2.518 -0.030) 2.524 14.529 ( 5.437 0.718 0.029) 5.484 14.572 ( 4.114 -3.945 -0.627) 5.734 14.794 ( 0.597 1.096 -1.790) 2.182 14.870 ( 2.027 -5.992 0.817) 6.378 14.984 ( 5.413 2.123 1.362) 5.972 15.010 ( 3.124 -0.496 1.927) 3.704 15.192 ( 3.555 5.189 1.700) 6.516 15.237 ( 2.475 4.234 -2.416) 5.467 15.280 ( -0.137 -0.489 -2.818) 2.864 15.360 ( 1.959 -3.561 1.058) 4.200 15.629 ( -1.174 3.509 1.107) 3.862 15.708 ( -0.201 -5.900 -1.001) 5.987 16.004 ( 0.392 6.102 -0.150) 6.116 16.139 ( 0.364 -7.821 -0.050) 7.829 16.472 ( 1.993 1.279 -0.911) 2.537 16.491 ( 1.244 -1.306 0.022) 1.804 16.767 ( 1.189 2.559 0.752) 2.921 16.813 ( -0.641 -1.142 1.412) 1.926 17.246 ( 2.865 3.711 -2.183) 5.171 17.300 ( 3.429 -2.052 -0.692) 4.055 18.265 ( -2.381 3.486 0.239) 4.228 18.325 ( -1.691 -2.280 0.915) 2.982 18.402 ( -2.354 3.045 0.265) 3.858 18.466 ( -1.707 -3.205 -0.475) 3.662 18.959 ( -3.910 2.216 -0.369) 4.509 19.006 ( -3.792 -2.267 -0.773) 4.485 19.199 ( -3.099 2.037 0.099) 3.710 19.268 ( -2.017 -4.759 0.269) 5.176 25.191 ( 0.344 6.982 -0.090) 6.991 25.378 ( 1.302 -11.596 -0.106) 11.669 25.454 ( 1.378 7.870 0.112) 7.991 25.695 ( 2.642 -16.605 0.183) 16.814 27.061 ( 0.651 5.862 -0.403) 5.912 27.094 ( 1.164 1.045 -1.205) 1.974 27.122 ( -1.281 2.250 0.885) 2.736 27.205 ( -0.622 -4.208 1.523) 4.518 28.122 ( 0.349 0.981 -1.315) 1.678 28.139 ( -0.048 -0.950 -0.307) 0.999 28.309 ( 0.257 12.712 0.305) 12.718 28.509 ( 0.811 -5.709 0.516) 5.789 28.554 ( 3.148 11.604 -0.106) 12.024 28.669 ( 1.924 -0.892 1.097) 2.387 29.092 ( 5.522 0.364 0.051) 5.534 29.125 ( 8.452 -2.739 0.949) 8.935 29.364 ( -3.149 4.337 -1.919) 5.692 29.435 ( 0.688 -2.424 0.887) 2.671 29.478 ( 6.827 1.802 4.028) 8.129 29.533 ( -1.687 -3.442 -0.341) 3.848 29.801 ( -8.832 3.674 -7.882) 12.394 29.897 ( -9.631 -5.473 -4.966) 12.140 30.123 ( -5.967 1.527 3.826) 7.251 30.172 ( -5.158 -3.475 4.412) 7.626 30.567 ( 0.568 5.116 -0.417) 5.164 30.680 ( 0.324 -5.868 -0.346) 5.887 30.978 ( 1.460 2.886 0.239) 3.243 31.058 ( 1.405 -5.009 0.647) 5.243 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -3.964 0.000 36.277) 36.493 0.717 ( 7.827 0.000 36.405) 37.237 1.072 ( 11.119 0.000 50.937) 52.137 2.218 ( -8.446 0.000 -8.435) 11.937 2.399 ( -0.208 0.000 -11.693) 11.695 2.464 ( 3.643 0.000 -10.699) 11.302 2.564 ( 0.875 0.000 1.521) 1.754 2.656 ( -3.580 0.000 -2.255) 4.231 2.714 ( -4.999 0.000 -1.358) 5.180 2.827 ( 8.823 0.000 1.155) 8.898 2.883 ( 0.103 0.000 7.713) 7.714 2.976 ( -7.662 0.000 6.313) 9.928 3.029 ( 0.688 0.000 -2.364) 2.462 3.288 ( 14.198 0.000 -5.071) 15.077 3.419 ( -10.507 0.000 1.860) 10.671 3.428 ( -2.327 0.000 -10.242) 10.503 3.640 ( 3.982 0.000 3.428) 5.254 3.663 ( 2.211 0.000 1.930) 2.935 3.780 ( 7.307 0.000 -6.719) 9.927 3.815 ( 0.477 0.000 -6.932) 6.949 3.865 ( -8.725 0.000 -0.108) 8.726 3.938 ( 1.927 0.000 12.121) 12.273 3.963 ( -1.954 0.000 0.811) 2.115 4.080 ( -3.438 0.000 2.205) 4.084 4.129 ( 2.378 0.000 -0.522) 2.435 4.190 ( -7.326 0.000 5.109) 8.931 4.296 ( -7.034 0.000 -5.020) 8.642 4.313 ( 5.076 0.000 3.834) 6.361 4.381 ( 1.136 0.000 0.647) 1.308 4.554 ( 1.987 0.000 8.128) 8.368 4.620 ( -6.652 0.000 11.774) 13.524 4.715 ( 2.112 0.000 0.958) 2.319 4.718 ( -3.010 0.000 -5.000) 5.836 4.762 ( 2.587 0.000 -4.237) 4.964 4.794 ( 1.939 0.000 -0.100) 1.942 4.878 ( -1.523 0.000 3.603) 3.912 4.958 ( -1.810 0.000 -8.543) 8.733 4.991 ( 3.295 0.000 4.375) 5.476 5.167 ( -0.524 0.000 2.041) 2.107 5.228 ( 4.788 0.000 -1.949) 5.170 5.259 ( 3.410 0.000 -3.465) 4.861 5.310 ( 4.470 0.000 0.343) 4.483 5.404 ( -5.466 0.000 3.779) 6.645 5.629 ( -2.958 0.000 -7.199) 7.783 5.661 ( -9.032 0.000 -9.313) 12.973 5.776 ( -6.067 0.000 -7.947) 9.998 5.838 ( 3.073 0.000 -0.572) 3.126 5.838 ( 5.032 0.000 4.011) 6.435 5.944 ( -0.988 0.000 -4.214) 4.329 6.063 ( 4.331 0.000 -0.738) 4.393 6.201 ( -0.933 0.000 5.438) 5.517 6.211 ( 3.907 0.000 -7.599) 8.545 6.601 ( -0.373 0.000 -3.538) 3.557 6.622 ( 1.282 0.000 -2.139) 2.494 6.695 ( -3.224 0.000 4.318) 5.389 6.730 ( -0.562 0.000 1.968) 2.046 6.865 ( 8.048 0.000 1.162) 8.131 6.972 ( 8.626 0.000 -5.300) 10.124 7.009 ( -0.911 0.000 -0.962) 1.325 7.121 ( -4.373 0.000 -0.498) 4.401 7.149 ( 1.456 0.000 10.642) 10.741 7.308 ( -0.079 0.000 5.634) 5.635 7.311 ( 3.164 0.000 -9.683) 10.187 7.362 ( -13.875 0.000 -3.207) 14.240 7.436 ( 1.214 0.000 -3.418) 3.627 7.490 ( 4.354 0.000 6.784) 8.061 7.640 ( -5.518 0.000 1.783) 5.799 7.658 ( 3.341 0.000 4.565) 5.657 7.717 ( -3.511 0.000 -6.031) 6.978 7.845 ( -1.004 0.000 3.662) 3.797 7.903 ( 2.296 0.000 0.954) 2.486 7.968 ( 2.102 0.000 -2.889) 3.573 8.072 ( -1.596 0.000 2.343) 2.835 8.173 ( -12.932 0.000 -3.214) 13.326 8.384 ( -1.737 0.000 4.058) 4.414 8.394 ( -0.741 0.000 -2.341) 2.456 8.550 ( 4.012 0.000 1.225) 4.195 8.641 ( -3.641 0.000 -1.453) 3.920 8.685 ( 3.546 0.000 -1.312) 3.781 8.707 ( -2.217 0.000 -0.080) 2.219 8.783 ( 3.703 0.000 -0.271) 3.713 8.803 ( -6.008 0.000 2.878) 6.661 9.018 ( 4.469 0.000 0.305) 4.479 9.157 ( 4.731 0.000 -10.340) 11.370 9.182 ( -0.761 0.000 3.013) 3.107 9.367 ( -4.515 0.000 -1.156) 4.660 9.385 ( -1.445 0.000 5.108) 5.309 9.480 ( 6.379 0.000 3.829) 7.440 9.711 ( -4.187 0.000 -0.606) 4.231 9.818 ( 1.187 0.000 5.082) 5.219 9.936 ( 4.155 0.000 0.527) 4.188 10.014 ( 2.023 0.000 -4.227) 4.687 10.040 ( -1.759 0.000 -7.305) 7.514 10.100 ( -3.415 0.000 1.279) 3.647 10.197 ( -2.993 0.000 5.573) 6.326 10.291 ( 4.746 0.000 3.758) 6.054 10.387 ( 4.240 0.000 3.013) 5.202 10.540 ( 1.167 0.000 -4.187) 4.346 10.617 ( 1.193 0.000 -0.779) 1.425 10.626 ( -5.735 0.000 -1.494) 5.926 10.905 ( -6.209 0.000 -3.333) 7.047 11.048 ( 8.347 0.000 -5.112) 9.788 11.162 ( -3.595 0.000 9.723) 10.367 11.258 ( -3.797 0.000 5.908) 7.023 11.610 ( 1.162 0.000 -1.726) 2.081 11.724 ( -2.460 0.000 -4.576) 5.195 11.774 ( 9.331 0.000 1.750) 9.494 11.889 ( -0.633 0.000 3.308) 3.368 11.891 ( 0.282 0.000 -1.079) 1.115 11.963 ( 2.559 0.000 -6.574) 7.055 12.132 ( -0.509 0.000 2.672) 2.720 12.496 ( -2.536 0.000 0.181) 2.543 12.595 ( -7.793 0.000 -7.223) 10.626 12.639 ( -21.090 0.000 -2.738) 21.267 12.925 ( -6.374 0.000 -1.775) 6.617 12.983 ( -2.927 0.000 -2.018) 3.556 13.064 ( 5.516 0.000 3.724) 6.656 13.167 ( 78.205 0.000 -0.268) 78.205 13.233 ( -9.211 0.000 1.868) 9.399 13.239 ( -2.682 0.000 -1.279) 2.971 13.336 ( 7.934 0.000 4.977) 9.366 13.674 ( -2.341 0.000 -6.549) 6.954 13.944 ( 1.254 0.000 0.666) 1.420 13.944 ( 1.019 0.000 2.073) 2.309 14.135 ( 0.218 0.000 0.062) 0.227 14.243 ( -4.918 0.000 -2.817) 5.667 14.325 ( 8.008 0.000 3.953) 8.931 14.598 ( -1.546 0.000 -1.916) 2.462 14.682 ( -2.075 0.000 1.258) 2.426 14.782 ( 20.278 0.000 -1.240) 20.315 14.985 ( -2.039 0.000 0.501) 2.100 15.066 ( 4.550 0.000 4.021) 6.072 15.083 ( -3.234 0.000 -3.232) 4.572 15.296 ( -7.779 0.000 -0.420) 7.790 15.516 ( -0.271 0.000 2.706) 2.720 15.576 ( 2.265 0.000 2.706) 3.529 16.154 ( 2.870 0.000 1.013) 3.043 16.178 ( -7.234 0.000 -1.795) 7.453 16.306 ( -2.886 0.000 0.468) 2.924 16.399 ( -0.928 0.000 -3.132) 3.267 16.563 ( -4.143 0.000 1.596) 4.439 16.740 ( -2.663 0.000 -2.994) 4.007 16.861 ( -7.183 0.000 3.412) 7.952 16.940 ( 2.219 0.000 1.025) 2.445 18.449 ( 0.116 0.000 1.194) 1.200 18.466 ( -0.521 0.000 0.734) 0.900 18.689 ( 3.309 0.000 1.398) 3.592 18.887 ( -23.534 0.000 -3.163) 23.745 19.274 ( 0.555 0.000 1.735) 1.822 19.435 ( -0.280 0.000 -2.016) 2.035 19.476 ( 2.212 0.000 0.337) 2.238 19.531 ( -0.278 0.000 -0.862) 0.906 25.174 ( 0.622 0.000 1.102) 1.265 25.250 ( -1.762 0.000 1.127) 2.092 25.275 ( 0.590 0.000 -1.288) 1.417 25.348 ( 2.404 0.000 -1.175) 2.676 27.008 ( 1.174 0.000 -0.283) 1.207 27.067 ( 1.222 0.000 -2.859) 3.109 27.123 ( -0.912 0.000 0.806) 1.217 27.162 ( 2.676 0.000 0.431) 2.710 27.947 ( 0.104 0.000 -0.032) 0.109 27.948 ( -0.046 0.000 0.013) 0.048 28.232 ( -3.420 0.000 0.721) 3.495 28.304 ( -0.128 0.000 -0.616) 0.629 28.404 ( -1.890 0.000 9.141) 9.334 28.571 ( 6.649 0.000 2.376) 7.061 28.751 ( 0.596 0.000 -2.159) 2.239 28.846 ( -2.629 0.000 -1.527) 3.040 28.867 ( 0.605 0.000 0.465) 0.763 29.019 ( 2.103 0.000 -3.233) 3.857 29.672 ( -12.023 0.000 2.437) 12.267 30.033 ( -3.200 0.000 4.219) 5.295 30.201 ( -1.835 0.000 -12.892) 13.022 30.279 ( 3.448 0.000 -3.699) 5.057 30.390 ( 2.760 0.000 -1.256) 3.032 30.457 ( -3.901 0.000 -1.089) 4.050 30.473 ( 3.959 0.000 -0.440) 3.984 30.520 ( -2.458 0.000 -2.063) 3.209 31.063 ( -1.392 0.000 20.369) 20.416 31.982 ( 10.029 0.000 -8.025) 12.844 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 23.696 0.000 23.993) 33.722 1.023 ( 19.816 0.000 25.676) 32.433 1.820 ( 48.764 0.000 30.820) 57.687 2.094 ( -2.636 0.000 -11.050) 11.360 2.377 ( -1.055 0.000 -11.325) 11.374 2.489 ( -1.033 0.000 -9.902) 9.956 2.618 ( -4.854 0.000 1.250) 5.012 2.628 ( 0.785 0.000 -2.216) 2.351 2.778 ( -3.612 0.000 0.668) 3.673 2.829 ( -5.360 0.000 7.955) 9.592 2.864 ( -9.834 0.000 1.072) 9.892 2.893 ( 8.542 0.000 3.632) 9.282 3.131 ( 7.575 0.000 -4.142) 8.634 3.263 ( 7.632 0.000 4.149) 8.687 3.298 ( -3.266 0.000 -8.573) 9.174 3.538 ( 8.023 0.000 -5.640) 9.808 3.643 ( -8.897 0.000 -9.071) 12.706 3.721 ( 7.990 0.000 5.798) 9.872 3.867 ( -1.238 0.000 2.524) 2.811 3.873 ( -0.772 0.000 -9.192) 9.224 3.904 ( 17.445 0.000 3.233) 17.742 4.001 ( 5.240 0.000 -1.296) 5.398 4.046 ( 0.832 0.000 2.727) 2.851 4.100 ( 5.532 0.000 1.392) 5.704 4.127 ( 7.237 0.000 7.508) 10.428 4.195 ( -1.641 0.000 2.556) 3.037 4.224 ( 5.723 0.000 0.871) 5.789 4.296 ( -9.046 0.000 -15.502) 17.948 4.458 ( -6.867 0.000 10.798) 12.796 4.471 ( 4.943 0.000 4.615) 6.763 4.580 ( -2.656 0.000 0.942) 2.818 4.699 ( -3.680 0.000 -3.877) 5.346 4.721 ( 5.583 0.000 0.544) 5.609 4.839 ( 1.443 0.000 1.242) 1.904 4.847 ( 1.520 0.000 1.041) 1.842 4.861 ( -1.379 0.000 -0.508) 1.470 5.014 ( 8.480 0.000 -7.462) 11.296 5.087 ( 9.818 0.000 8.635) 13.075 5.161 ( -1.732 0.000 0.440) 1.787 5.222 ( -2.665 0.000 5.012) 5.677 5.259 ( -3.474 0.000 3.336) 4.817 5.372 ( 4.864 0.000 2.719) 5.573 5.426 ( 8.097 0.000 4.300) 9.168 5.530 ( -1.998 0.000 -6.840) 7.126 5.607 ( -1.512 0.000 -4.387) 4.640 5.736 ( 1.408 0.000 -8.146) 8.266 5.881 ( -4.645 0.000 -2.543) 5.296 5.884 ( 4.167 0.000 -7.743) 8.793 5.979 ( 4.777 0.000 1.342) 4.962 6.083 ( -1.821 0.000 1.457) 2.332 6.156 ( 0.499 0.000 5.820) 5.841 6.305 ( 5.802 0.000 -4.716) 7.477 6.485 ( -7.773 0.000 -1.282) 7.878 6.571 ( -5.049 0.000 -3.480) 6.132 6.704 ( -2.308 0.000 -1.130) 2.570 6.749 ( 0.182 0.000 0.191) 0.264 6.881 ( -6.541 0.000 -6.879) 9.492 6.906 ( -16.036 0.000 7.646) 17.766 6.971 ( -8.655 0.000 1.108) 8.725 7.074 ( 4.892 0.000 3.236) 5.865 7.081 ( -2.270 0.000 -2.157) 3.131 7.179 ( 1.406 0.000 9.888) 9.987 7.276 ( -6.334 0.000 -8.020) 10.220 7.336 ( 4.293 0.000 10.140) 11.011 7.428 ( -8.700 0.000 -1.435) 8.817 7.598 ( 0.221 0.000 6.320) 6.324 7.609 ( 0.653 0.000 -11.959) 11.977 7.708 ( -0.395 0.000 -9.544) 9.552 7.712 ( 6.548 0.000 8.049) 10.376 7.787 ( -4.546 0.000 0.212) 4.551 7.847 ( -6.146 0.000 0.112) 6.148 7.917 ( -3.154 0.000 -3.969) 5.070 8.055 ( -3.283 0.000 4.239) 5.362 8.114 ( 4.621 0.000 -1.062) 4.741 8.332 ( -3.348 0.000 6.511) 7.321 8.389 ( -0.172 0.000 -4.804) 4.807 8.580 ( -1.262 0.000 1.487) 1.950 8.594 ( -3.842 0.000 0.679) 3.902 8.648 ( -3.663 0.000 -2.159) 4.252 8.727 ( 0.804 0.000 -1.079) 1.345 8.789 ( 7.241 0.000 1.927) 7.493 8.874 ( 4.789 0.000 -1.382) 4.984 9.083 ( -7.185 0.000 -8.944) 11.472 9.086 ( 1.025 0.000 3.463) 3.611 9.189 ( 1.166 0.000 1.546) 1.936 9.328 ( -3.873 0.000 0.057) 3.874 9.420 ( 4.485 0.000 3.202) 5.511 9.448 ( -9.603 0.000 2.983) 10.056 9.584 ( 3.904 0.000 1.953) 4.365 9.858 ( 2.746 0.000 4.925) 5.638 9.907 ( -8.798 0.000 -3.529) 9.480 10.049 ( -1.829 0.000 -0.780) 1.989 10.078 ( 3.031 0.000 -5.166) 5.990 10.080 ( 8.851 0.000 3.362) 9.468 10.198 ( 3.152 0.000 0.986) 3.302 10.341 ( -1.897 0.000 5.982) 6.276 10.401 ( -5.125 0.000 4.011) 6.508 10.537 ( -2.212 0.000 -4.446) 4.966 10.613 ( 0.755 0.000 -0.809) 1.107 10.623 ( 3.827 0.000 4.368) 5.807 10.863 ( 1.113 0.000 -2.665) 2.888 11.023 ( -6.142 0.000 1.632) 6.355 11.065 ( -10.565 0.000 1.345) 10.650 11.165 ( 4.148 0.000 -3.493) 5.423 11.575 ( -4.806 0.000 2.158) 5.269 11.599 ( -7.732 0.000 -6.256) 9.946 11.681 ( -12.896 0.000 5.179) 13.897 11.821 ( -7.290 0.000 -0.522) 7.309 11.894 ( 2.000 0.000 1.902) 2.760 11.990 ( 0.919 0.000 -4.951) 5.035 12.091 ( -4.912 0.000 5.133) 7.105 12.125 ( -10.057 0.000 16.532) 19.351 12.448 ( -0.022 0.000 1.638) 1.638 12.655 ( 2.601 0.000 -8.394) 8.788 12.903 ( -0.360 0.000 1.606) 1.646 12.989 ( -2.653 0.000 1.017) 2.842 13.024 ( -3.350 0.000 -1.539) 3.687 13.114 ( -1.621 0.000 -4.331) 4.625 13.415 ( 13.087 0.000 1.977) 13.236 13.482 ( -9.280 0.000 -6.032) 11.068 13.579 ( 18.431 0.000 5.257) 19.166 13.652 ( 4.765 0.000 -3.825) 6.110 13.991 ( -3.319 0.000 1.724) 3.740 14.171 ( 2.193 0.000 1.020) 2.419 14.190 ( 7.292 0.000 -1.896) 7.534 14.354 ( 11.263 0.000 6.542) 13.025 14.539 ( -2.917 0.000 -4.938) 5.735 14.620 ( 15.414 0.000 -6.883) 16.881 14.742 ( 5.846 0.000 -3.374) 6.750 14.991 ( 2.229 0.000 2.924) 3.676 15.012 ( -0.088 0.000 -7.319) 7.320 15.121 ( -2.869 0.000 -0.363) 2.892 15.159 ( 4.093 0.000 6.130) 7.371 15.540 ( 1.173 0.000 -2.230) 2.520 15.559 ( 4.681 0.000 2.380) 5.252 15.725 ( 10.434 0.000 -4.123) 11.219 16.095 ( 10.314 0.000 -15.977) 19.017 16.161 ( -3.096 0.000 3.079) 4.366 16.390 ( 1.601 0.000 -4.776) 5.037 16.420 ( 7.308 0.000 -5.498) 9.145 16.526 ( -0.162 0.000 0.702) 0.720 16.763 ( 4.429 0.000 -1.788) 4.776 16.893 ( 11.762 0.000 -4.690) 12.663 16.995 ( 3.090 0.000 2.474) 3.959 18.392 ( -7.700 0.000 1.126) 7.782 18.430 ( -2.179 0.000 1.304) 2.540 18.558 ( -5.092 0.000 1.336) 5.264 18.688 ( -3.416 0.000 3.957) 5.227 19.215 ( -6.208 0.000 2.045) 6.536 19.334 ( -8.849 0.000 -1.749) 9.020 19.451 ( -7.239 0.000 -1.239) 7.344 19.456 ( -2.551 0.000 -1.386) 2.903 25.106 ( -2.937 0.000 1.198) 3.172 25.301 ( 0.509 0.000 -5.010) 5.036 25.388 ( 10.509 0.000 0.972) 10.554 25.778 ( 26.057 0.000 -17.280) 31.266 27.009 ( -1.164 0.000 0.878) 1.458 27.054 ( -1.635 0.000 -2.980) 3.399 27.083 ( -2.767 0.000 -0.014) 2.767 27.195 ( 0.081 0.000 -2.512) 2.513 27.935 ( -1.287 0.000 0.706) 1.468 27.953 ( 0.638 0.000 0.093) 0.645 28.193 ( 0.181 0.000 5.874) 5.876 28.346 ( 3.810 0.000 -0.809) 3.895 28.351 ( -2.122 0.000 12.054) 12.239 28.788 ( 3.118 0.000 -2.159) 3.793 28.804 ( 12.974 0.000 -8.479) 15.499 28.869 ( 4.438 0.000 -4.277) 6.164 28.908 ( 1.731 0.000 2.594) 3.119 29.108 ( 7.753 0.000 -0.974) 7.814 29.364 ( -11.161 0.000 19.273) 22.271 29.899 ( -7.056 0.000 -1.274) 7.170 30.088 ( -9.147 0.000 -9.406) 13.121 30.270 ( -6.067 0.000 -6.620) 8.979 30.379 ( -3.980 0.000 0.011) 3.980 30.382 ( 0.837 0.000 0.355) 0.909 30.561 ( 3.686 0.000 -1.451) 3.962 30.696 ( 11.092 0.000 -4.310) 11.900 30.976 ( -7.491 0.000 17.455) 18.994 31.697 ( -22.403 0.000 8.085) 23.817 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 20.196 0.000 9.793) 22.445 1.502 ( 28.255 0.000 13.027) 31.113 2.076 ( -0.633 0.000 -1.593) 1.714 2.269 ( -15.997 0.000 2.393) 16.175 2.359 ( 0.277 0.000 -8.338) 8.343 2.418 ( -7.202 0.000 1.977) 7.469 2.534 ( -2.239 0.000 -7.687) 8.006 2.684 ( 25.051 0.000 6.625) 25.912 2.747 ( -3.638 0.000 2.879) 4.639 2.795 ( 2.274 0.000 3.417) 4.105 2.821 ( 3.782 0.000 3.633) 5.245 3.096 ( 9.054 0.000 -4.231) 9.994 3.229 ( 6.901 0.000 0.574) 6.925 3.306 ( 2.761 0.000 -9.628) 10.016 3.382 ( 0.626 0.000 5.873) 5.906 3.494 ( -5.760 0.000 -15.527) 16.561 3.679 ( -0.680 0.000 -1.954) 2.068 3.802 ( -6.481 0.000 -0.201) 6.485 3.857 ( 9.556 0.000 -1.789) 9.722 3.876 ( 1.055 0.000 0.499) 1.167 4.010 ( 1.239 0.000 8.329) 8.421 4.019 ( -6.034 0.000 -13.207) 14.521 4.137 ( 2.089 0.000 -0.657) 2.190 4.172 ( -0.859 0.000 -4.107) 4.196 4.226 ( 1.373 0.000 -1.624) 2.127 4.266 ( 3.520 0.000 9.487) 10.119 4.323 ( 10.399 0.000 -2.221) 10.634 4.372 ( 8.033 0.000 2.007) 8.280 4.412 ( 8.907 0.000 12.577) 15.411 4.536 ( -3.344 0.000 0.136) 3.347 4.558 ( 9.205 0.000 4.214) 10.124 4.605 ( -1.421 0.000 5.773) 5.945 4.741 ( -7.658 0.000 -2.023) 7.921 4.808 ( 6.417 0.000 -2.058) 6.739 4.846 ( 0.622 0.000 -2.137) 2.225 4.963 ( 7.743 0.000 0.413) 7.754 5.142 ( 3.644 0.000 6.964) 7.860 5.198 ( -1.613 0.000 6.424) 6.624 5.250 ( 10.915 0.000 -5.993) 12.452 5.302 ( 4.289 0.000 -0.228) 4.295 5.320 ( 4.219 0.000 8.331) 9.338 5.430 ( 4.674 0.000 9.511) 10.597 5.466 ( -3.068 0.000 -0.618) 3.130 5.555 ( 2.091 0.000 0.493) 2.149 5.612 ( 3.746 0.000 -6.596) 7.586 5.778 ( 3.555 0.000 -1.896) 4.029 5.797 ( 2.266 0.000 -3.946) 4.550 5.951 ( -2.653 0.000 -2.346) 3.541 6.062 ( -0.931 0.000 1.731) 1.965 6.094 ( 7.741 0.000 -3.716) 8.587 6.218 ( 3.207 0.000 6.414) 7.171 6.293 ( -15.332 0.000 4.092) 15.869 6.382 ( -0.111 0.000 -9.917) 9.918 6.420 ( 1.453 0.000 2.568) 2.951 6.630 ( -6.616 0.000 -7.469) 9.978 6.652 ( -3.026 0.000 -3.729) 4.802 6.760 ( -1.699 0.000 5.326) 5.590 6.773 ( -3.752 0.000 -2.246) 4.373 6.877 ( -3.101 0.000 1.957) 3.667 7.024 ( -5.631 0.000 1.610) 5.856 7.059 ( -4.444 0.000 4.212) 6.123 7.086 ( -10.664 0.000 -8.744) 13.790 7.180 ( -2.161 0.000 4.810) 5.273 7.196 ( -12.714 0.000 -3.735) 13.251 7.419 ( 0.948 0.000 8.154) 8.209 7.535 ( -6.896 0.000 -10.473) 12.540 7.585 ( 0.621 0.000 7.655) 7.680 7.616 ( -5.957 0.000 -2.368) 6.411 7.732 ( -3.396 0.000 -0.719) 3.471 7.781 ( -1.474 0.000 3.032) 3.372 7.794 ( 0.334 0.000 -2.421) 2.444 7.927 ( -3.971 0.000 4.695) 6.149 8.026 ( 9.839 0.000 0.094) 9.839 8.147 ( -0.374 0.000 -1.100) 1.161 8.315 ( 1.327 0.000 2.770) 3.072 8.358 ( -2.203 0.000 -5.219) 5.665 8.524 ( -1.604 0.000 -1.493) 2.192 8.544 ( -6.561 0.000 -4.246) 7.815 8.612 ( 2.385 0.000 3.451) 4.195 8.737 ( -0.554 0.000 -3.175) 3.222 8.834 ( -3.436 0.000 2.059) 4.005 8.950 ( 2.549 0.000 -1.746) 3.089 9.033 ( 1.628 0.000 -2.887) 3.315 9.064 ( -1.780 0.000 2.455) 3.033 9.211 ( -2.232 0.000 4.303) 4.847 9.213 ( 0.708 0.000 0.217) 0.740 9.402 ( -1.862 0.000 -2.746) 3.318 9.499 ( 0.894 0.000 1.467) 1.718 9.662 ( 3.531 0.000 -1.471) 3.826 9.729 ( -7.600 0.000 -2.948) 8.151 9.911 ( 2.219 0.000 8.084) 8.383 10.012 ( -2.326 0.000 -1.518) 2.777 10.123 ( 1.117 0.000 -2.029) 2.316 10.213 ( 0.627 0.000 -0.421) 0.756 10.242 ( -5.230 0.000 6.583) 8.407 10.271 ( 3.102 0.000 3.501) 4.677 10.354 ( 6.954 0.000 -4.129) 8.087 10.497 ( -1.354 0.000 -4.181) 4.394 10.665 ( -0.450 0.000 5.190) 5.209 10.677 ( 5.329 0.000 1.140) 5.449 10.823 ( -1.991 0.000 -1.134) 2.291 10.912 ( -5.072 0.000 -4.819) 6.996 11.087 ( 8.997 0.000 -4.049) 9.866 11.261 ( 5.030 0.000 -4.134) 6.510 11.431 ( -6.762 0.000 8.620) 10.955 11.516 ( 0.221 0.000 -5.490) 5.495 11.553 ( -3.385 0.000 2.885) 4.448 11.611 ( -12.345 0.000 -6.676) 14.035 11.865 ( -5.502 0.000 13.100) 14.208 11.935 ( -7.602 0.000 6.813) 10.208 11.958 ( -8.786 0.000 2.207) 9.059 12.026 ( 0.254 0.000 -1.900) 1.917 12.505 ( 4.487 0.000 1.884) 4.866 12.701 ( 2.037 0.000 -9.589) 9.803 12.791 ( -12.487 0.000 0.940) 12.523 12.827 ( -4.837 0.000 2.451) 5.422 13.069 ( 3.346 0.000 1.260) 3.576 13.186 ( 5.678 0.000 -4.611) 7.314 13.349 ( -3.502 0.000 -6.241) 7.157 13.493 ( -5.878 0.000 -1.327) 6.026 13.774 ( 6.972 0.000 0.282) 6.978 13.875 ( 10.470 0.000 1.109) 10.528 14.031 ( 4.540 0.000 5.150) 6.865 14.179 ( -0.808 0.000 -2.166) 2.312 14.435 ( 17.329 0.000 -1.868) 17.429 14.519 ( 6.628 0.000 5.458) 8.586 14.569 ( 6.717 0.000 -3.237) 7.456 14.844 ( 4.539 0.000 -4.303) 6.255 14.919 ( 13.668 0.000 -1.741) 13.778 14.988 ( -1.645 0.000 -2.530) 3.018 15.048 ( 2.655 0.000 4.880) 5.555 15.118 ( 2.802 0.000 -3.467) 4.458 15.217 ( 1.645 0.000 4.848) 5.120 15.495 ( -3.399 0.000 3.248) 4.701 15.686 ( 7.379 0.000 3.521) 8.176 15.687 ( -6.159 0.000 6.892) 9.243 16.078 ( -4.007 0.000 0.152) 4.010 16.280 ( 7.072 0.000 -7.228) 10.113 16.418 ( 0.016 0.000 1.116) 1.116 16.505 ( 3.594 0.000 -4.577) 5.819 16.558 ( 3.555 0.000 -2.102) 4.130 16.818 ( 1.043 0.000 -6.577) 6.659 17.048 ( 1.838 0.000 3.760) 4.185 17.150 ( 11.272 0.000 -5.648) 12.607 18.257 ( -6.067 0.000 -2.350) 6.506 18.367 ( -4.126 0.000 0.899) 4.223 18.519 ( -1.101 0.000 -2.871) 3.075 18.575 ( -7.568 0.000 3.939) 8.532 19.061 ( -8.738 0.000 1.637) 8.890 19.146 ( -9.153 0.000 -2.553) 9.502 19.293 ( -7.597 0.000 -0.645) 7.625 19.400 ( -2.527 0.000 -3.363) 4.206 25.080 ( -0.132 0.000 1.442) 1.448 25.308 ( 0.505 0.000 -4.670) 4.697 25.602 ( 10.568 0.000 1.925) 10.742 26.144 ( 13.018 0.000 -12.515) 18.058 26.957 ( -3.917 0.000 2.507) 4.650 27.021 ( -1.246 0.000 -3.445) 3.664 27.041 ( -1.233 0.000 -1.115) 1.662 27.175 ( -1.767 0.000 -2.445) 3.016 27.923 ( 0.195 0.000 0.971) 0.990 27.970 ( 0.924 0.000 0.327) 0.980 28.216 ( 1.150 0.000 7.252) 7.342 28.327 ( -1.017 0.000 11.725) 11.769 28.420 ( 3.199 0.000 -0.988) 3.348 28.863 ( -5.250 0.000 8.900) 10.333 28.871 ( 5.485 0.000 -4.891) 7.350 28.996 ( 8.736 0.000 -4.918) 10.025 29.028 ( 10.076 0.000 -6.961) 12.247 29.320 ( 13.237 0.000 0.947) 13.271 29.375 ( 9.312 0.000 10.708) 14.191 29.745 ( -8.632 0.000 -4.207) 9.602 29.846 ( -14.701 0.000 -5.093) 15.558 30.107 ( -8.779 0.000 -9.507) 12.940 30.287 ( -6.058 0.000 2.549) 6.573 30.409 ( -0.305 0.000 1.118) 1.159 30.561 ( -4.211 0.000 4.265) 5.994 30.843 ( 4.413 0.000 -4.771) 6.499 30.864 ( -2.453 0.000 9.003) 9.331 31.367 ( -11.580 0.000 4.797) 12.534 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 9.592 0.000 -0.876) 9.632 1.838 ( 2.602 0.000 6.303) 6.819 2.061 ( -8.076 0.000 5.025) 9.511 2.150 ( 11.040 0.000 8.315) 13.821 2.344 ( 0.620 0.000 0.228) 0.661 2.416 ( 5.565 0.000 1.848) 5.864 2.472 ( -2.144 0.000 -4.119) 4.644 2.693 ( -1.568 0.000 -5.241) 5.471 2.776 ( -3.514 0.000 -0.898) 3.626 2.867 ( -2.421 0.000 -0.777) 2.543 2.953 ( 9.807 0.000 1.114) 9.870 3.090 ( -5.148 0.000 -14.447) 15.337 3.274 ( -10.570 0.000 -0.824) 10.602 3.368 ( 4.071 0.000 -4.985) 6.436 3.428 ( 1.661 0.000 -4.111) 4.434 3.513 ( 6.675 0.000 -10.877) 12.762 3.670 ( -1.225 0.000 9.303) 9.384 3.681 ( 1.609 0.000 -4.947) 5.202 3.888 ( -0.162 0.000 -0.461) 0.488 3.918 ( -0.226 0.000 -4.302) 4.308 4.023 ( 5.156 0.000 3.889) 6.458 4.033 ( -0.972 0.000 1.591) 1.865 4.106 ( -2.507 0.000 -0.518) 2.560 4.224 ( 1.501 0.000 3.812) 4.097 4.252 ( 7.451 0.000 -2.995) 8.031 4.272 ( -2.829 0.000 10.078) 10.468 4.365 ( -2.564 0.000 -0.531) 2.619 4.368 ( -2.601 0.000 3.280) 4.186 4.509 ( 1.849 0.000 3.612) 4.058 4.581 ( 11.421 0.000 -5.835) 12.826 4.648 ( -3.195 0.000 1.948) 3.742 4.708 ( 6.640 0.000 11.118) 12.950 4.861 ( -3.790 0.000 -2.492) 4.536 4.893 ( -2.357 0.000 -2.150) 3.191 4.963 ( 2.722 0.000 -5.156) 5.830 5.047 ( 9.382 0.000 4.586) 10.443 5.140 ( 5.911 0.000 9.776) 11.424 5.223 ( 1.761 0.000 7.352) 7.560 5.273 ( -1.119 0.000 9.347) 9.413 5.294 ( -1.726 0.000 -0.756) 1.885 5.344 ( -1.913 0.000 8.931) 9.133 5.449 ( 3.471 0.000 -6.030) 6.958 5.470 ( -18.114 0.000 -3.654) 18.478 5.671 ( 9.340 0.000 -7.769) 12.149 5.678 ( 10.046 0.000 11.714) 15.432 5.773 ( -3.636 0.000 -4.364) 5.681 5.908 ( -5.972 0.000 0.094) 5.973 5.976 ( 10.185 0.000 -2.016) 10.382 5.980 ( 7.759 0.000 3.206) 8.395 6.210 ( -3.442 0.000 0.598) 3.493 6.229 ( 2.619 0.000 -2.019) 3.307 6.294 ( 4.345 0.000 -1.187) 4.504 6.322 ( -5.744 0.000 -0.214) 5.748 6.438 ( 3.840 0.000 -9.892) 10.611 6.541 ( -4.298 0.000 -2.121) 4.793 6.598 ( 0.764 0.000 -5.761) 5.811 6.723 ( -4.529 0.000 -0.511) 4.558 6.771 ( 1.977 0.000 10.053) 10.245 6.790 ( -2.861 0.000 3.510) 4.528 6.822 ( -9.801 0.000 -0.322) 9.807 6.955 ( 1.049 0.000 0.187) 1.066 6.999 ( -1.034 0.000 2.850) 3.032 7.104 ( -0.342 0.000 -2.708) 2.730 7.110 ( -4.759 0.000 2.514) 5.382 7.368 ( -6.270 0.000 -4.809) 7.902 7.435 ( 2.081 0.000 2.783) 3.475 7.536 ( -6.682 0.000 1.934) 6.957 7.557 ( 1.018 0.000 4.731) 4.840 7.697 ( 0.245 0.000 -3.913) 3.921 7.722 ( -4.367 0.000 -1.539) 4.630 7.784 ( -1.819 0.000 -4.543) 4.893 7.877 ( -0.960 0.000 5.647) 5.728 8.148 ( 0.596 0.000 -1.988) 2.075 8.259 ( 10.810 0.000 2.546) 11.106 8.310 ( -3.951 0.000 -2.905) 4.904 8.367 ( 3.297 0.000 0.598) 3.351 8.412 ( -3.534 0.000 -6.273) 7.200 8.505 ( -1.078 0.000 -3.542) 3.702 8.615 ( -2.861 0.000 -1.338) 3.159 8.692 ( -3.868 0.000 -1.868) 4.296 8.797 ( 0.948 0.000 3.846) 3.961 8.986 ( 3.031 0.000 3.189) 4.400 9.074 ( 3.977 0.000 0.550) 4.015 9.076 ( 1.779 0.000 0.761) 1.935 9.210 ( -0.683 0.000 -1.418) 1.574 9.217 ( -0.124 0.000 0.756) 0.766 9.316 ( -5.536 0.000 -2.780) 6.195 9.398 ( -7.688 0.000 -1.002) 7.753 9.674 ( 0.162 0.000 0.769) 0.786 9.702 ( 1.099 0.000 1.117) 1.567 9.953 ( -2.061 0.000 -1.781) 2.724 9.960 ( 2.159 0.000 9.505) 9.747 10.135 ( -0.605 0.000 -0.083) 0.611 10.194 ( -1.230 0.000 -3.864) 4.056 10.195 ( -0.255 0.000 5.713) 5.719 10.334 ( 1.598 0.000 -0.324) 1.631 10.488 ( 0.713 0.000 -2.899) 2.985 10.507 ( 3.434 0.000 -8.743) 9.393 10.667 ( 5.017 0.000 0.640) 5.058 10.790 ( 5.002 0.000 -2.167) 5.452 10.822 ( 0.818 0.000 -2.628) 2.752 10.839 ( -2.600 0.000 -4.382) 5.096 11.275 ( 7.317 0.000 -0.253) 7.322 11.281 ( -2.604 0.000 0.885) 2.751 11.335 ( -6.216 0.000 3.481) 7.125 11.357 ( -6.442 0.000 -0.976) 6.516 11.571 ( 5.918 0.000 6.420) 8.732 11.635 ( 8.030 0.000 -7.313) 10.861 11.676 ( -11.956 0.000 7.778) 14.263 11.781 ( -7.740 0.000 6.124) 9.870 11.849 ( -2.393 0.000 2.853) 3.723 12.042 ( 1.416 0.000 -2.101) 2.534 12.555 ( -9.694 0.000 4.106) 10.528 12.586 ( 2.253 0.000 -0.955) 2.447 12.690 ( -2.087 0.000 -3.808) 4.342 12.802 ( 1.551 0.000 -3.896) 4.193 13.134 ( 2.316 0.000 1.061) 2.547 13.245 ( 1.266 0.000 -0.920) 1.565 13.337 ( 1.001 0.000 -7.665) 7.730 13.343 ( -5.715 0.000 -1.508) 5.911 13.883 ( 3.022 0.000 2.619) 4.000 13.971 ( -2.658 0.000 -0.576) 2.720 14.083 ( 3.523 0.000 1.682) 3.904 14.176 ( 1.394 0.000 -3.378) 3.655 14.602 ( 0.936 0.000 3.379) 3.507 14.673 ( 5.827 0.000 -2.197) 6.228 14.797 ( 12.069 0.000 0.637) 12.086 14.913 ( 2.323 0.000 -1.785) 2.929 14.920 ( -3.942 0.000 -3.065) 4.993 15.081 ( 0.499 0.000 3.971) 4.002 15.133 ( 6.670 0.000 -3.915) 7.734 15.212 ( 5.758 0.000 -0.023) 5.758 15.232 ( -0.249 0.000 4.309) 4.316 15.438 ( -2.044 0.000 2.185) 2.992 15.552 ( -7.475 0.000 6.894) 10.169 15.805 ( 3.522 0.000 5.175) 6.260 16.033 ( -0.649 0.000 -1.933) 2.039 16.358 ( 0.467 0.000 -3.621) 3.651 16.398 ( -1.592 0.000 2.443) 2.916 16.593 ( 4.850 0.000 -2.781) 5.591 16.636 ( 4.006 0.000 -1.324) 4.219 16.809 ( -0.045 0.000 -5.688) 5.688 17.059 ( -1.127 0.000 4.683) 4.816 17.317 ( 5.224 0.000 -3.200) 6.126 18.163 ( -2.323 0.000 0.274) 2.339 18.291 ( -2.828 0.000 -0.910) 2.970 18.435 ( -5.984 0.000 2.376) 6.438 18.501 ( -0.161 0.000 -3.083) 3.087 18.919 ( -4.824 0.000 0.409) 4.842 19.019 ( -2.921 0.000 -2.671) 3.958 19.192 ( -2.361 0.000 1.079) 2.596 19.368 ( -0.432 0.000 -4.373) 4.394 25.087 ( 0.419 0.000 1.652) 1.704 25.315 ( 0.343 0.000 -4.473) 4.486 25.767 ( 5.342 0.000 3.214) 6.234 26.297 ( 3.447 0.000 -8.726) 9.382 26.885 ( -3.012 0.000 2.191) 3.725 27.012 ( 0.565 0.000 -3.526) 3.571 27.031 ( 0.145 0.000 -0.603) 0.621 27.132 ( -2.336 0.000 -2.912) 3.733 27.942 ( 1.616 0.000 0.879) 1.840 27.982 ( 0.180 0.000 0.236) 0.297 28.230 ( -0.181 0.000 7.533) 7.535 28.322 ( -0.023 0.000 12.237) 12.237 28.460 ( 1.051 0.000 -0.744) 1.287 28.764 ( -4.590 0.000 7.493) 8.787 28.986 ( 5.858 0.000 -8.232) 10.103 29.185 ( 9.515 0.000 -3.778) 10.238 29.202 ( 7.974 0.000 -2.741) 8.432 29.523 ( -6.659 0.000 -0.693) 6.695 29.541 ( -11.078 0.000 -6.293) 12.741 29.566 ( 5.017 0.000 2.646) 5.672 29.678 ( 12.904 0.000 5.761) 14.132 29.971 ( -2.471 0.000 -4.767) 5.370 30.139 ( -8.717 0.000 2.160) 8.981 30.287 ( -9.576 0.000 -0.678) 9.600 30.526 ( 0.537 0.000 5.371) 5.398 30.869 ( 1.171 0.000 4.841) 4.980 30.882 ( 0.390 0.000 -4.853) 4.869 31.227 ( -3.964 0.000 -0.530) 3.999 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -9.203 0.000 2.752) 9.606 1.871 ( -1.990 0.000 -1.225) 2.337 1.991 ( 4.810 0.000 12.468) 13.363 2.107 ( -10.889 0.000 3.051) 11.309 2.389 ( 4.537 0.000 0.011) 4.537 2.504 ( 0.135 0.000 8.284) 8.285 2.536 ( 2.698 0.000 -1.537) 3.105 2.646 ( -6.756 0.000 -10.668) 12.627 2.710 ( 4.555 0.000 -1.810) 4.901 2.748 ( -8.346 0.000 -4.582) 9.521 3.078 ( -9.019 0.000 3.740) 9.764 3.114 ( 6.438 0.000 -13.258) 14.738 3.195 ( 12.636 0.000 -1.188) 12.692 3.408 ( -1.312 0.000 -3.407) 3.651 3.475 ( 0.813 0.000 -7.911) 7.953 3.500 ( 4.056 0.000 -4.525) 6.077 3.596 ( -8.959 0.000 -0.467) 8.971 3.684 ( -0.503 0.000 -1.529) 1.609 3.916 ( -1.417 0.000 -0.439) 1.484 3.921 ( 2.165 0.000 -4.309) 4.822 3.999 ( 2.107 0.000 -0.268) 2.124 4.027 ( -11.560 0.000 11.267) 16.142 4.135 ( 4.256 0.000 3.934) 5.796 4.241 ( -3.289 0.000 -2.375) 4.057 4.242 ( 2.073 0.000 -3.590) 4.145 4.323 ( -2.187 0.000 -2.313) 3.183 4.358 ( -1.789 0.000 11.002) 11.146 4.417 ( 7.240 0.000 -3.314) 7.962 4.560 ( -0.999 0.000 9.761) 9.812 4.617 ( 4.052 0.000 4.076) 5.747 4.636 ( -7.248 0.000 -0.353) 7.257 4.703 ( -12.154 0.000 9.810) 15.619 4.821 ( 1.777 0.000 3.012) 3.497 4.872 ( 3.808 0.000 -7.313) 8.245 4.878 ( -1.346 0.000 -5.523) 5.685 4.930 ( -3.365 0.000 6.140) 7.002 5.115 ( -9.449 0.000 -2.904) 9.885 5.159 ( -9.064 0.000 2.634) 9.439 5.215 ( 1.956 0.000 3.049) 3.623 5.257 ( -5.000 0.000 0.686) 5.047 5.399 ( 1.544 0.000 1.917) 2.461 5.470 ( 1.368 0.000 17.028) 17.083 5.553 ( 5.969 0.000 -6.255) 8.646 5.683 ( -7.668 0.000 3.954) 8.627 5.765 ( -0.858 0.000 -7.877) 7.923 5.786 ( -3.345 0.000 -1.779) 3.789 5.848 ( 7.964 0.000 -0.070) 7.964 5.928 ( -4.511 0.000 2.824) 5.321 6.078 ( -6.884 0.000 8.800) 11.173 6.145 ( -2.405 0.000 -3.616) 4.343 6.208 ( 3.065 0.000 -6.917) 7.566 6.291 ( 0.137 0.000 0.704) 0.717 6.431 ( -1.265 0.000 -7.307) 7.416 6.432 ( 8.532 0.000 1.771) 8.714 6.533 ( -4.830 0.000 3.182) 5.784 6.661 ( 4.682 0.000 -3.576) 5.892 6.686 ( 3.072 0.000 0.122) 3.075 6.715 ( -2.969 0.000 -2.223) 3.709 6.797 ( 2.284 0.000 -2.638) 3.489 6.831 ( 4.138 0.000 7.164) 8.274 6.969 ( -2.465 0.000 1.635) 2.958 7.026 ( 7.688 0.000 2.363) 8.043 7.042 ( -0.337 0.000 0.712) 0.788 7.241 ( 16.128 0.000 -0.415) 16.133 7.372 ( -7.923 0.000 -0.962) 7.981 7.427 ( 10.129 0.000 2.242) 10.374 7.478 ( -0.764 0.000 0.676) 1.020 7.623 ( 0.267 0.000 0.767) 0.812 7.661 ( 0.390 0.000 -3.732) 3.753 7.688 ( 1.303 0.000 2.502) 2.821 7.814 ( 7.544 0.000 -1.437) 7.679 7.821 ( -5.979 0.000 0.555) 6.005 8.157 ( 0.680 0.000 -1.868) 1.988 8.192 ( -4.449 0.000 -2.177) 4.953 8.392 ( 3.923 0.000 0.432) 3.947 8.394 ( -2.205 0.000 0.905) 2.384 8.456 ( 1.862 0.000 -4.175) 4.572 8.488 ( 0.696 0.000 -6.656) 6.693 8.566 ( 1.489 0.000 2.351) 2.782 8.620 ( -2.521 0.000 -0.651) 2.604 8.856 ( 3.734 0.000 4.265) 5.668 9.018 ( -3.313 0.000 -2.232) 3.994 9.093 ( 1.477 0.000 4.766) 4.989 9.135 ( -4.572 0.000 -1.524) 4.819 9.195 ( 5.128 0.000 0.363) 5.141 9.199 ( -0.073 0.000 -1.875) 1.876 9.290 ( 2.778 0.000 0.791) 2.889 9.360 ( 4.367 0.000 -2.802) 5.188 9.696 ( 2.754 0.000 1.909) 3.351 9.730 ( 2.121 0.000 2.246) 3.090 9.969 ( -3.184 0.000 6.027) 6.817 9.971 ( 3.175 0.000 1.128) 3.370 10.080 ( -3.721 0.000 0.009) 3.721 10.112 ( -5.078 0.000 -5.905) 7.788 10.212 ( 1.007 0.000 2.740) 2.919 10.334 ( -3.869 0.000 0.474) 3.898 10.487 ( 0.167 0.000 -5.407) 5.410 10.509 ( 0.917 0.000 -1.626) 1.867 10.762 ( -4.095 0.000 -5.939) 7.214 10.774 ( -6.183 0.000 -1.129) 6.285 10.865 ( 7.759 0.000 -1.314) 7.869 10.868 ( 3.717 0.000 -2.383) 4.415 11.172 ( -7.335 0.000 -2.464) 7.738 11.201 ( -2.815 0.000 -2.119) 3.524 11.242 ( -0.547 0.000 5.908) 5.933 11.481 ( -7.612 0.000 -0.104) 7.613 11.548 ( 9.207 0.000 5.567) 10.759 11.673 ( 1.363 0.000 1.785) 2.246 11.680 ( 2.658 0.000 7.980) 8.411 11.760 ( 3.353 0.000 -3.353) 4.742 11.899 ( 7.683 0.000 3.918) 8.624 12.083 ( 2.791 0.000 -0.185) 2.797 12.425 ( -3.545 0.000 -0.005) 3.545 12.627 ( 2.914 0.000 0.915) 3.055 12.660 ( -0.673 0.000 -3.169) 3.239 12.832 ( 1.361 0.000 -3.559) 3.810 13.110 ( -3.133 0.000 0.558) 3.183 13.286 ( 3.012 0.000 0.541) 3.060 13.335 ( -0.478 0.000 -8.050) 8.064 13.355 ( 4.615 0.000 -2.331) 5.170 13.873 ( -6.056 0.000 -2.361) 6.500 13.875 ( -3.803 0.000 3.601) 5.238 14.091 ( -3.315 0.000 1.543) 3.656 14.227 ( 3.097 0.000 -2.667) 4.087 14.551 ( -5.765 0.000 1.261) 5.901 14.718 ( -1.733 0.000 1.924) 2.589 14.820 ( -6.162 0.000 -4.045) 7.371 14.896 ( -3.401 0.000 -1.480) 3.709 14.917 ( 0.844 0.000 -0.606) 1.039 15.049 ( -4.548 0.000 1.787) 4.887 15.176 ( -8.540 0.000 -5.008) 9.900 15.223 ( -1.127 0.000 7.664) 7.747 15.258 ( 4.574 0.000 0.572) 4.609 15.376 ( -4.843 0.000 1.245) 5.000 15.522 ( 4.899 0.000 6.032) 7.771 15.807 ( -3.747 0.000 5.497) 6.652 16.032 ( 0.474 0.000 -2.302) 2.350 16.296 ( -5.896 0.000 -5.020) 7.744 16.369 ( -1.213 0.000 0.875) 1.495 16.613 ( -2.184 0.000 -1.066) 2.430 16.710 ( 3.309 0.000 1.349) 3.574 16.888 ( 7.309 0.000 -5.897) 9.391 17.012 ( -3.471 0.000 3.128) 4.673 17.301 ( -6.659 0.000 -2.098) 6.982 18.219 ( 7.900 0.000 2.689) 8.345 18.288 ( 3.017 0.000 -3.566) 4.671 18.370 ( -0.769 0.000 1.676) 1.844 18.530 ( 3.732 0.000 -1.797) 4.142 18.901 ( 3.128 0.000 -0.183) 3.133 19.042 ( 5.101 0.000 -1.754) 5.394 19.206 ( 3.656 0.000 1.488) 3.947 19.380 ( 1.625 0.000 -4.705) 4.978 25.090 ( -0.144 0.000 1.790) 1.796 25.315 ( -0.128 0.000 -4.551) 4.553 25.788 ( -3.519 0.000 4.269) 5.532 26.277 ( -4.808 0.000 -10.221) 11.296 26.860 ( 0.562 0.000 1.001) 1.148 27.033 ( 0.997 0.000 -3.142) 3.296 27.046 ( 1.365 0.000 0.172) 1.376 27.091 ( -1.171 0.000 -2.357) 2.632 27.976 ( 1.402 0.000 0.834) 1.631 27.976 ( -0.698 0.000 -0.112) 0.707 28.222 ( -0.620 0.000 7.681) 7.706 28.330 ( 0.126 0.000 11.886) 11.887 28.467 ( -0.381 0.000 -0.438) 0.580 28.699 ( -2.422 0.000 4.756) 5.337 29.055 ( 1.059 0.000 -8.646) 8.710 29.171 ( -11.929 0.000 -0.548) 11.942 29.311 ( -4.954 0.000 2.973) 5.778 29.360 ( 0.519 0.000 -1.594) 1.676 29.386 ( -4.807 0.000 -6.330) 7.949 29.643 ( 6.597 0.000 -0.934) 6.663 29.960 ( -0.526 0.000 6.025) 6.048 30.031 ( 11.761 0.000 2.488) 12.022 30.047 ( 5.337 0.000 -3.364) 6.309 30.190 ( 2.935 0.000 -3.106) 4.274 30.542 ( 0.820 0.000 5.799) 5.857 30.872 ( -0.994 0.000 -5.661) 5.747 30.890 ( 0.759 0.000 5.923) 5.972 31.175 ( -1.834 0.000 -2.029) 2.735 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -24.309 0.000 11.275) 26.797 1.548 ( -26.579 0.000 13.582) 29.848 2.084 ( 8.830 0.000 -3.974) 9.683 2.226 ( -29.582 0.000 -1.913) 29.644 2.300 ( 21.004 0.000 6.316) 21.933 2.527 ( 6.352 0.000 -3.768) 7.386 2.535 ( -0.014 0.000 -3.262) 3.262 2.579 ( -7.467 0.000 -5.800) 9.455 2.637 ( 5.040 0.000 4.282) 6.613 2.766 ( -1.855 0.000 -1.028) 2.121 2.914 ( -7.524 0.000 6.767) 10.120 3.073 ( -7.189 0.000 -12.695) 14.589 3.280 ( -4.930 0.000 -1.283) 5.094 3.345 ( -13.068 0.000 4.922) 13.964 3.517 ( 6.320 0.000 -7.708) 9.968 3.568 ( 4.797 0.000 -4.339) 6.468 3.596 ( 8.940 0.000 -2.799) 9.368 3.717 ( -15.817 0.000 8.618) 18.012 3.785 ( 9.014 0.000 -2.001) 9.233 3.823 ( -8.710 0.000 3.458) 9.371 3.902 ( -17.479 0.000 -2.808) 17.703 3.951 ( 2.234 0.000 -7.163) 7.504 4.064 ( 3.253 0.000 -5.185) 6.121 4.243 ( 5.256 0.000 2.945) 6.025 4.261 ( -1.817 0.000 -3.595) 4.028 4.285 ( -7.030 0.000 -1.286) 7.146 4.344 ( 1.617 0.000 8.244) 8.401 4.435 ( -6.838 0.000 3.789) 7.818 4.539 ( -3.233 0.000 1.455) 3.546 4.603 ( 1.191 0.000 3.746) 3.930 4.608 ( -1.460 0.000 -2.655) 3.030 4.674 ( 5.501 0.000 4.319) 6.994 4.802 ( 9.758 0.000 5.231) 11.072 4.851 ( -3.507 0.000 1.531) 3.826 4.963 ( -0.690 0.000 -2.488) 2.582 4.983 ( 0.763 0.000 3.166) 3.257 5.003 ( -5.834 0.000 2.267) 6.259 5.030 ( 0.324 0.000 -4.372) 4.384 5.101 ( -10.958 0.000 4.886) 11.998 5.270 ( -8.470 0.000 6.743) 10.826 5.335 ( -3.863 0.000 6.388) 7.465 5.358 ( -7.058 0.000 3.454) 7.858 5.461 ( 0.608 0.000 -3.585) 3.637 5.644 ( -9.935 0.000 -0.342) 9.941 5.666 ( 2.827 0.000 -8.657) 9.107 5.736 ( -0.931 0.000 -1.845) 2.067 5.884 ( -0.413 0.000 2.054) 2.096 5.903 ( -4.463 0.000 -0.934) 4.559 6.043 ( -3.629 0.000 -1.644) 3.984 6.170 ( -6.674 0.000 0.786) 6.720 6.203 ( 15.926 0.000 1.873) 16.036 6.314 ( -1.262 0.000 1.100) 1.675 6.327 ( -10.470 0.000 8.615) 13.559 6.419 ( -0.461 0.000 -13.134) 13.142 6.555 ( 3.616 0.000 2.317) 4.295 6.733 ( -0.023 0.000 -0.573) 0.573 6.734 ( 5.310 0.000 -2.158) 5.732 6.768 ( 7.726 0.000 -3.992) 8.696 6.901 ( 8.079 0.000 -7.485) 11.014 6.970 ( 3.045 0.000 4.781) 5.668 6.971 ( 9.165 0.000 1.765) 9.334 7.125 ( 6.725 0.000 6.825) 9.582 7.242 ( -5.155 0.000 2.060) 5.552 7.268 ( 13.195 0.000 -3.129) 13.561 7.448 ( -0.445 0.000 0.124) 0.462 7.454 ( -3.074 0.000 -9.763) 10.235 7.552 ( 9.109 0.000 6.259) 11.052 7.656 ( -5.951 0.000 -1.846) 6.230 7.702 ( 8.134 0.000 4.822) 9.456 7.734 ( 3.083 0.000 -6.655) 7.334 7.794 ( 6.368 0.000 8.419) 10.556 7.991 ( 8.838 0.000 3.385) 9.464 8.152 ( -0.993 0.000 4.172) 4.289 8.207 ( 2.103 0.000 -1.168) 2.406 8.313 ( -1.412 0.000 -2.324) 2.720 8.421 ( -2.108 0.000 -1.066) 2.362 8.491 ( 6.592 0.000 -0.384) 6.603 8.509 ( 1.604 0.000 -4.431) 4.712 8.608 ( 0.500 0.000 -1.716) 1.787 8.656 ( 4.567 0.000 1.211) 4.725 8.900 ( 0.054 0.000 2.171) 2.172 8.915 ( -6.004 0.000 -2.935) 6.683 9.047 ( -4.835 0.000 -3.839) 6.174 9.093 ( -2.686 0.000 0.819) 2.808 9.201 ( 0.175 0.000 -0.637) 0.661 9.278 ( 4.594 0.000 3.167) 5.579 9.391 ( 5.682 0.000 4.740) 7.399 9.456 ( 3.051 0.000 -0.793) 3.152 9.764 ( -1.278 0.000 1.114) 1.695 9.806 ( 7.936 0.000 0.545) 7.954 9.821 ( -7.909 0.000 -4.831) 9.267 9.968 ( -1.504 0.000 -0.449) 1.570 10.073 ( -3.252 0.000 0.588) 3.305 10.102 ( 4.020 0.000 -0.402) 4.040 10.218 ( -1.696 0.000 -0.558) 1.785 10.226 ( 0.397 0.000 3.039) 3.065 10.521 ( 0.958 0.000 -3.038) 3.186 10.531 ( 0.338 0.000 0.628) 0.713 10.590 ( -9.360 0.000 5.246) 10.730 10.637 ( -6.407 0.000 2.309) 6.810 10.918 ( -0.189 0.000 -7.164) 7.166 10.954 ( 5.517 0.000 0.953) 5.598 11.143 ( 2.116 0.000 -3.437) 4.036 11.154 ( -3.373 0.000 -0.809) 3.469 11.307 ( 5.189 0.000 -1.394) 5.373 11.404 ( 2.221 0.000 1.017) 2.443 11.587 ( 2.669 0.000 -1.123) 2.896 11.708 ( 0.737 0.000 7.436) 7.473 11.785 ( 1.403 0.000 -0.347) 1.445 11.876 ( 8.565 0.000 3.578) 9.282 12.067 ( 7.394 0.000 5.227) 9.055 12.146 ( 2.918 0.000 3.192) 4.325 12.386 ( 0.656 0.000 -2.064) 2.165 12.657 ( 0.498 0.000 -5.154) 5.178 12.754 ( 9.749 0.000 0.354) 9.755 12.849 ( 0.221 0.000 -0.717) 0.751 13.069 ( -0.923 0.000 1.700) 1.934 13.285 ( -2.182 0.000 -5.430) 5.852 13.383 ( -3.371 0.000 -7.949) 8.634 13.401 ( 6.747 0.000 -1.229) 6.858 13.714 ( -12.463 0.000 -1.766) 12.587 13.749 ( -8.958 0.000 3.075) 9.471 14.031 ( 0.758 0.000 4.414) 4.479 14.254 ( -0.889 0.000 -1.481) 1.727 14.408 ( -8.535 0.000 0.725) 8.566 14.541 ( -16.469 0.000 3.440) 16.824 14.697 ( -5.187 0.000 -5.476) 7.542 14.819 ( -3.373 0.000 3.872) 5.135 14.871 ( -5.704 0.000 -4.481) 7.253 14.887 ( -18.130 0.000 -8.016) 19.823 14.969 ( -1.979 0.000 1.969) 2.792 15.173 ( -4.280 0.000 6.834) 8.063 15.283 ( -3.654 0.000 0.115) 3.656 15.387 ( 6.004 0.000 1.201) 6.123 15.593 ( 0.097 0.000 2.832) 2.834 15.688 ( -7.407 0.000 3.426) 8.161 16.050 ( 1.501 0.000 -1.052) 1.833 16.175 ( -4.429 0.000 -5.841) 7.330 16.364 ( 0.862 0.000 -1.313) 1.571 16.563 ( -2.654 0.000 -0.560) 2.712 16.740 ( -1.041 0.000 4.942) 5.051 16.946 ( -2.810 0.000 -0.865) 2.941 16.988 ( 0.213 0.000 -13.314) 13.316 17.125 ( -8.073 0.000 3.007) 8.615 18.384 ( 6.310 0.000 1.924) 6.597 18.388 ( 2.032 0.000 1.736) 2.673 18.400 ( 8.104 0.000 -4.653) 9.345 18.685 ( 13.260 0.000 1.866) 13.391 19.025 ( 8.651 0.000 0.262) 8.655 19.188 ( 9.038 0.000 -0.839) 9.077 19.322 ( 7.523 0.000 0.540) 7.542 19.414 ( 1.615 0.000 -5.190) 5.435 25.089 ( 0.156 0.000 1.792) 1.799 25.308 ( -0.366 0.000 -4.900) 4.914 25.646 ( -10.544 0.000 4.000) 11.278 26.107 ( -12.369 0.000 -16.186) 20.371 26.901 ( 3.218 0.000 -0.060) 3.219 27.024 ( -0.948 0.000 -2.851) 3.004 27.080 ( 1.992 0.000 0.796) 2.145 27.102 ( 1.591 0.000 -0.142) 1.598 27.961 ( -0.717 0.000 -0.227) 0.752 27.984 ( -0.660 0.000 0.143) 0.675 28.227 ( 1.040 0.000 8.222) 8.287 28.333 ( -0.272 0.000 9.361) 9.365 28.435 ( -3.118 0.000 -0.356) 3.138 28.665 ( -1.570 0.000 2.984) 3.372 28.937 ( -10.386 0.000 -1.264) 10.463 29.033 ( -2.068 0.000 -5.723) 6.086 29.112 ( -10.735 0.000 0.304) 10.739 29.192 ( -12.105 0.000 -2.667) 12.395 29.474 ( 7.323 0.000 11.130) 13.323 29.867 ( 13.608 0.000 -3.579) 14.071 29.895 ( -1.386 0.000 -4.897) 5.090 30.125 ( 4.887 0.000 -13.355) 14.221 30.305 ( 4.204 0.000 -0.323) 4.216 30.338 ( 13.276 0.000 8.857) 15.960 30.574 ( 2.047 0.000 5.877) 6.223 30.835 ( -3.028 0.000 -8.082) 8.631 30.922 ( 2.918 0.000 11.136) 11.511 31.170 ( 3.157 0.000 2.687) 4.145 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -23.463 0.000 22.251) 32.336 1.027 ( -25.227 0.000 25.275) 35.710 1.454 ( -42.211 0.000 21.875) 47.543 2.255 ( 6.907 0.000 -7.047) 9.867 2.440 ( -4.537 0.000 -11.830) 12.670 2.481 ( -5.056 0.000 -0.973) 5.148 2.570 ( -0.726 0.000 0.080) 0.731 2.697 ( 2.619 0.000 0.484) 2.663 2.758 ( 1.535 0.000 -2.541) 2.969 2.815 ( 5.597 0.000 6.312) 8.436 2.853 ( 17.284 0.000 0.613) 17.295 2.945 ( -4.754 0.000 -13.661) 14.465 3.115 ( -8.363 0.000 2.863) 8.840 3.142 ( -7.783 0.000 3.437) 8.508 3.388 ( -7.206 0.000 -9.773) 12.142 3.590 ( 0.808 0.000 4.553) 4.624 3.613 ( -9.383 0.000 2.523) 9.716 3.680 ( 2.018 0.000 -0.613) 2.109 3.755 ( -1.265 0.000 -7.348) 7.456 3.772 ( 5.496 0.000 0.093) 5.497 3.934 ( 5.090 0.000 -1.614) 5.340 4.036 ( -3.209 0.000 -0.604) 3.265 4.052 ( -3.260 0.000 5.146) 6.092 4.065 ( -12.992 0.000 1.496) 13.078 4.187 ( 8.059 0.000 -7.779) 11.201 4.292 ( -1.628 0.000 2.875) 3.304 4.296 ( -8.842 0.000 1.710) 9.006 4.354 ( -5.460 0.000 2.140) 5.864 4.478 ( -1.008 0.000 -3.762) 3.895 4.625 ( 3.926 0.000 -1.186) 4.102 4.640 ( -7.797 0.000 8.769) 11.734 4.752 ( -6.432 0.000 -4.249) 7.709 4.753 ( -6.802 0.000 6.443) 9.369 4.796 ( -7.557 0.000 -1.191) 7.650 4.819 ( 1.055 0.000 4.568) 4.688 4.912 ( -2.244 0.000 6.594) 6.966 4.928 ( -1.570 0.000 0.041) 1.571 5.047 ( 1.851 0.000 1.904) 2.656 5.108 ( 5.497 0.000 -0.494) 5.519 5.161 ( 2.568 0.000 4.237) 4.955 5.243 ( -2.661 0.000 -4.415) 5.155 5.304 ( -12.200 0.000 -4.362) 12.957 5.380 ( 4.451 0.000 1.756) 4.785 5.678 ( 9.275 0.000 -1.660) 9.422 5.713 ( -2.255 0.000 -0.425) 2.295 5.772 ( 4.556 0.000 -3.051) 5.483 5.809 ( -4.263 0.000 -1.298) 4.456 5.936 ( 5.853 0.000 -6.419) 8.687 5.975 ( -13.006 0.000 -1.155) 13.057 5.994 ( -1.912 0.000 -0.074) 1.914 6.195 ( -3.355 0.000 -7.137) 7.886 6.205 ( -1.583 0.000 4.517) 4.786 6.507 ( 11.424 0.000 4.629) 12.326 6.509 ( 6.590 0.000 -5.237) 8.417 6.652 ( 7.088 0.000 -4.321) 8.301 6.731 ( 0.287 0.000 0.054) 0.292 6.837 ( 4.173 0.000 2.314) 4.772 6.865 ( -1.668 0.000 -3.055) 3.480 6.976 ( 2.493 0.000 0.786) 2.614 7.081 ( 5.567 0.000 4.256) 7.008 7.151 ( 9.289 0.000 0.686) 9.314 7.153 ( -0.950 0.000 2.469) 2.645 7.257 ( 3.653 0.000 11.203) 11.784 7.373 ( -1.959 0.000 -6.741) 7.020 7.486 ( 7.847 0.000 -8.956) 11.907 7.494 ( 1.623 0.000 -0.224) 1.638 7.570 ( 0.352 0.000 2.030) 2.060 7.675 ( 1.814 0.000 4.950) 5.272 7.799 ( 1.585 0.000 -0.714) 1.739 7.844 ( 7.786 0.000 -6.874) 10.386 7.849 ( -0.718 0.000 8.604) 8.634 8.011 ( -9.973 0.000 -3.098) 10.443 8.125 ( -2.318 0.000 5.116) 5.617 8.239 ( 6.166 0.000 -0.010) 6.166 8.403 ( -0.098 0.000 0.205) 0.227 8.411 ( 3.676 0.000 -3.421) 5.022 8.555 ( -1.181 0.000 -3.833) 4.011 8.628 ( 4.250 0.000 0.961) 4.357 8.631 ( 6.191 0.000 -0.207) 6.194 8.712 ( 1.050 0.000 -0.370) 1.113 8.799 ( -4.973 0.000 -0.678) 5.019 8.876 ( -2.027 0.000 1.506) 2.526 8.961 ( 2.010 0.000 0.707) 2.131 9.005 ( -4.033 0.000 -2.361) 4.674 9.201 ( -0.595 0.000 0.708) 0.925 9.365 ( 3.060 0.000 0.873) 3.182 9.444 ( -3.462 0.000 4.484) 5.665 9.473 ( 0.004 0.000 6.111) 6.111 9.666 ( -1.010 0.000 -2.742) 2.922 9.778 ( 0.699 0.000 4.191) 4.249 9.937 ( 5.007 0.000 -0.474) 5.029 9.949 ( -5.095 0.000 -1.661) 5.358 10.022 ( 5.122 0.000 -8.213) 9.679 10.131 ( -0.243 0.000 1.881) 1.897 10.238 ( 0.490 0.000 1.019) 1.131 10.284 ( 0.460 0.000 2.367) 2.412 10.343 ( -5.825 0.000 4.135) 7.143 10.536 ( -0.661 0.000 -1.124) 1.304 10.577 ( 1.494 0.000 0.212) 1.509 10.672 ( 6.791 0.000 8.293) 10.719 10.898 ( 0.497 0.000 -14.245) 14.254 11.030 ( -4.037 0.000 0.422) 4.059 11.113 ( 4.731 0.000 5.778) 7.468 11.214 ( 4.979 0.000 2.411) 5.532 11.408 ( 10.300 0.000 9.119) 13.757 11.589 ( 12.736 0.000 0.007) 12.736 11.690 ( 5.707 0.000 -3.036) 6.464 11.729 ( 2.242 0.000 3.922) 4.517 11.827 ( 4.098 0.000 0.745) 4.165 11.947 ( -0.025 0.000 -0.955) 0.956 12.150 ( -1.584 0.000 1.780) 2.383 12.181 ( 6.614 0.000 12.167) 13.849 12.474 ( 5.124 0.000 1.522) 5.345 12.669 ( 0.587 0.000 -5.773) 5.802 12.829 ( -2.169 0.000 -0.432) 2.212 12.945 ( 7.700 0.000 0.929) 7.756 13.079 ( 0.119 0.000 0.530) 0.543 13.221 ( -5.150 0.000 -7.138) 8.801 13.255 ( -5.048 0.000 -5.579) 7.524 13.412 ( -14.579 0.000 0.764) 14.599 13.472 ( -8.204 0.000 -3.629) 8.971 13.621 ( 3.573 0.000 1.411) 3.842 14.068 ( -6.243 0.000 4.864) 7.914 14.195 ( -8.613 0.000 0.354) 8.620 14.210 ( -7.913 0.000 0.013) 7.913 14.250 ( -3.953 0.000 0.237) 3.960 14.506 ( -19.583 0.000 -13.322) 23.684 14.652 ( 0.573 0.000 -4.256) 4.294 14.713 ( -9.066 0.000 -4.650) 10.189 14.751 ( -3.902 0.000 4.455) 5.922 14.981 ( 2.502 0.000 3.223) 4.080 15.076 ( -5.285 0.000 2.310) 5.768 15.192 ( -5.733 0.000 -1.192) 5.855 15.484 ( -3.632 0.000 -5.200) 6.343 15.513 ( -0.606 0.000 4.330) 4.373 15.564 ( -4.741 0.000 2.528) 5.373 16.093 ( 2.883 0.000 -0.655) 2.957 16.157 ( 2.162 0.000 -2.148) 3.048 16.391 ( 1.465 0.000 -1.750) 2.283 16.486 ( -6.478 0.000 -4.344) 7.800 16.669 ( -5.709 0.000 4.079) 7.016 16.849 ( -8.431 0.000 -9.399) 12.626 16.917 ( -0.042 0.000 -1.008) 1.008 17.036 ( -6.269 0.000 -3.148) 7.014 18.429 ( 1.753 0.000 1.230) 2.141 18.454 ( 1.654 0.000 0.950) 1.907 18.569 ( 8.353 0.000 -2.234) 8.647 18.991 ( 13.483 0.000 -0.917) 13.514 19.192 ( 7.279 0.000 1.127) 7.366 19.354 ( 7.317 0.000 -0.115) 7.318 19.422 ( -0.133 0.000 -4.048) 4.050 19.466 ( 6.300 0.000 -0.463) 6.317 25.111 ( 2.379 0.000 1.422) 2.772 25.300 ( -0.194 0.000 -5.247) 5.251 25.421 ( -11.594 0.000 2.555) 11.872 25.740 ( -25.819 0.000 -21.230) 33.426 26.966 ( 3.018 0.000 -0.510) 3.061 27.024 ( 1.523 0.000 -0.756) 1.700 27.116 ( 1.379 0.000 1.024) 1.717 27.130 ( 1.120 0.000 1.075) 1.553 27.951 ( -0.287 0.000 -0.057) 0.293 27.959 ( -1.414 0.000 -0.244) 1.435 28.261 ( 0.950 0.000 4.476) 4.576 28.344 ( 2.230 0.000 8.419) 8.710 28.354 ( -4.332 0.000 -0.471) 4.358 28.617 ( -4.294 0.000 2.618) 5.029 28.788 ( -4.687 0.000 -1.860) 5.042 28.928 ( -7.196 0.000 0.336) 7.204 28.965 ( -8.345 0.000 0.562) 8.364 29.011 ( -1.528 0.000 -6.067) 6.257 29.662 ( 9.910 0.000 13.421) 16.683 29.914 ( 4.464 0.000 -2.550) 5.141 30.112 ( 10.722 0.000 -4.871) 11.776 30.212 ( 3.956 0.000 -15.430) 15.929 30.341 ( 1.075 0.000 -0.107) 1.080 30.483 ( 1.401 0.000 1.663) 2.174 30.582 ( -2.012 0.000 1.704) 2.637 30.691 ( -12.564 0.000 -11.150) 16.798 31.014 ( 4.640 0.000 18.266) 18.846 31.434 ( 26.110 0.000 15.832) 30.536 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.389 18.334 18.819) 26.638 1.021 ( 8.929 24.285 24.998) 35.978 1.692 ( 0.326 41.514 37.335) 55.834 2.161 ( -7.834 -9.445 -6.229) 13.762 2.211 ( 7.746 -12.546 -12.476) 19.314 2.551 ( 0.441 8.038 -2.755) 8.508 2.648 ( -4.065 1.620 1.129) 4.519 2.666 ( -2.682 -0.062 -4.561) 5.291 2.744 ( 2.604 0.562 4.875) 5.556 2.792 ( 1.056 3.661 1.092) 3.964 2.962 ( 1.613 3.374 0.884) 3.843 3.010 ( -2.571 5.447 4.833) 7.722 3.093 ( -2.630 3.896 -3.271) 5.727 3.360 ( 7.003 3.524 -7.244) 10.674 3.443 ( -1.256 3.809 2.456) 4.703 3.515 ( 4.862 6.119 -3.693) 8.644 3.621 ( 2.425 -1.799 2.351) 3.827 3.649 ( -4.316 2.085 0.768) 4.854 3.759 ( 1.212 -0.533 -4.718) 4.900 3.808 ( -0.857 -0.162 -3.438) 3.547 3.892 ( -1.097 -1.207 -2.877) 3.307 3.922 ( -3.899 -1.678 1.812) 4.616 3.973 ( 1.476 3.580 6.852) 7.870 4.087 ( -0.264 -2.790 -1.960) 3.419 4.104 ( 0.687 2.875 2.790) 4.065 4.235 ( -6.882 -1.446 1.359) 7.163 4.293 ( -1.121 2.918 3.427) 4.639 4.320 ( -3.722 0.280 -1.145) 3.904 4.504 ( -2.471 8.737 -2.545) 9.430 4.580 ( 4.510 -0.370 3.197) 5.541 4.619 ( 5.731 -6.553 -0.495) 8.720 4.638 ( -2.657 -0.166 2.115) 3.400 4.690 ( -0.872 -1.290 -3.641) 3.960 4.733 ( -3.438 -3.143 5.593) 7.279 4.792 ( 3.826 1.705 3.310) 5.339 4.854 ( 3.663 -0.935 0.895) 3.885 4.976 ( -4.700 -0.000 -6.264) 7.831 5.036 ( 2.109 0.196 -1.736) 2.738 5.135 ( 0.752 -3.321 -0.087) 3.406 5.242 ( 3.719 3.351 1.223) 5.154 5.269 ( -1.606 -0.204 -4.242) 4.541 5.324 ( -1.163 -1.055 3.547) 3.879 5.414 ( 2.245 4.504 6.389) 8.133 5.592 ( -2.643 -2.235 -7.274) 8.056 5.722 ( -5.826 0.691 -7.340) 9.396 5.769 ( -1.468 0.835 -5.957) 6.192 5.880 ( 1.799 3.472 1.972) 4.379 5.927 ( 1.409 4.619 -7.264) 8.723 5.978 ( -4.569 3.341 -4.583) 7.283 6.105 ( 5.211 3.636 0.014) 6.354 6.208 ( -0.582 3.401 -2.350) 4.175 6.325 ( 1.645 7.547 -5.369) 9.407 6.535 ( 1.118 -4.378 2.180) 5.017 6.607 ( 2.878 -4.465 -1.388) 5.490 6.701 ( -3.312 -0.504 -1.576) 3.702 6.732 ( -0.226 0.236 3.024) 3.041 6.845 ( 4.736 -2.557 0.791) 5.440 6.904 ( 2.687 -7.263 -1.425) 7.874 6.979 ( -0.685 -2.149 -0.188) 2.264 7.008 ( -5.505 -7.984 -0.280) 9.702 7.086 ( -0.205 -4.111 2.911) 5.041 7.233 ( 5.075 0.170 0.417) 5.095 7.263 ( 3.488 -3.609 5.276) 7.282 7.381 ( -3.451 2.295 -10.687) 11.462 7.459 ( 3.170 -0.715 -2.308) 3.986 7.585 ( -0.210 2.377 3.180) 3.976 7.656 ( -5.243 -1.055 -1.941) 5.690 7.691 ( 1.352 -0.611 -0.619) 1.607 7.716 ( -6.943 3.810 -4.688) 9.203 7.847 ( 2.341 -0.080 0.833) 2.486 7.897 ( 2.835 1.867 2.725) 4.353 7.983 ( -1.960 1.234 -2.663) 3.530 8.125 ( -0.195 1.164 2.163) 2.464 8.137 ( -9.420 -0.837 -0.944) 9.505 8.297 ( -2.227 -5.769 6.896) 9.262 8.373 ( 2.984 -3.774 -0.127) 4.812 8.529 ( -2.187 -1.486 -1.698) 3.143 8.590 ( -1.613 -2.989 2.695) 4.335 8.690 ( 3.345 -1.059 -2.316) 4.204 8.722 ( -1.752 0.208 1.787) 2.511 8.733 ( 0.983 -1.336 -0.877) 1.876 8.848 ( -1.604 -1.373 2.859) 3.553 8.995 ( 1.193 3.193 3.712) 5.040 9.054 ( 6.808 -10.661 4.010) 13.270 9.149 ( 2.523 -5.975 0.996) 6.562 9.304 ( 1.270 -5.994 6.788) 9.145 9.359 ( -5.187 -0.567 -0.929) 5.300 9.446 ( -2.166 5.416 -2.965) 6.543 9.619 ( -3.407 2.548 4.800) 6.414 9.869 ( 2.621 -0.617 -3.494) 4.412 9.924 ( 1.533 5.794 6.733) 9.014 10.047 ( -1.313 0.501 -4.793) 4.995 10.110 ( -1.111 4.754 -0.951) 4.973 10.195 ( -0.768 0.197 5.883) 5.936 10.259 ( 2.854 -1.676 3.340) 4.702 10.371 ( 4.884 -0.466 2.080) 5.329 10.415 ( -1.321 9.268 -7.341) 11.897 10.557 ( 1.209 0.976 -2.731) 3.142 10.591 ( 3.415 -0.283 -1.333) 3.677 10.667 ( -2.955 2.982 -6.487) 7.727 10.903 ( -5.686 0.768 -2.847) 6.405 11.048 ( 5.218 -0.355 -2.625) 5.852 11.180 ( -4.055 2.327 5.117) 6.932 11.260 ( -3.667 -0.123 5.333) 6.473 11.562 ( 4.949 -5.965 1.474) 7.890 11.648 ( 0.435 -4.155 2.131) 4.690 11.700 ( 0.087 -6.156 1.435) 6.322 11.782 ( 1.281 -5.855 0.339) 6.003 11.889 ( 2.499 -4.950 0.917) 5.620 11.962 ( -1.953 0.966 -3.342) 3.990 12.092 ( -0.495 3.503 3.073) 4.686 12.356 ( -0.171 -5.075 2.802) 5.799 12.600 ( -0.398 -0.682 -7.742) 7.782 12.639 ( -13.349 -1.303 -7.255) 15.250 12.899 ( 7.867 0.033 2.798) 8.350 12.994 ( -5.069 -0.915 -2.236) 5.616 13.038 ( 0.638 0.752 1.602) 1.881 13.122 ( 3.435 -1.928 -3.722) 5.419 13.237 ( 7.815 0.472 0.459) 7.842 13.290 ( 16.396 0.423 0.657) 16.414 13.417 ( 5.126 5.235 5.069) 8.909 13.668 ( -2.810 -0.633 -4.983) 5.756 13.940 ( -0.489 -0.787 -0.704) 1.164 13.979 ( -3.647 2.982 0.273) 4.719 14.119 ( 3.104 0.190 3.468) 4.658 14.230 ( -3.235 0.171 -0.144) 3.243 14.272 ( 6.082 -3.810 10.252) 12.514 14.605 ( -0.726 0.063 -2.110) 2.232 14.777 ( -1.000 7.023 -2.046) 7.383 14.891 ( 4.976 3.426 -9.899) 11.597 14.963 ( -0.325 -1.925 0.477) 2.009 15.039 ( -1.069 -1.535 -3.100) 3.621 15.125 ( 2.453 0.285 -1.627) 2.957 15.257 ( 0.099 -1.765 -1.120) 2.093 15.566 ( 0.255 3.103 4.849) 5.762 15.694 ( 1.343 7.429 0.386) 7.559 16.113 ( -1.015 -3.037 -2.085) 3.821 16.153 ( -2.061 -2.470 -1.464) 3.534 16.288 ( 4.202 3.887 2.478) 6.238 16.454 ( -6.407 -0.427 0.318) 6.429 16.526 ( -2.334 -3.152 1.174) 4.094 16.608 ( -2.723 -8.450 2.553) 9.238 16.905 ( -4.263 3.888 3.072) 6.536 16.969 ( 0.654 2.381 1.123) 2.713 18.457 ( 0.112 0.682 1.241) 1.421 18.469 ( -0.398 0.258 0.976) 1.085 18.640 ( -0.521 -2.361 2.810) 3.707 18.792 ( -6.829 -5.568 0.145) 8.812 19.290 ( 0.193 1.527 1.736) 2.320 19.431 ( 1.425 -2.530 1.335) 3.196 19.450 ( -0.010 1.311 -2.009) 2.399 19.522 ( -0.197 -0.812 -1.108) 1.388 25.183 ( 0.777 0.870 1.101) 1.604 25.251 ( -2.250 -0.397 0.717) 2.394 25.283 ( 0.581 0.763 -1.161) 1.506 25.342 ( 1.806 -0.604 -1.147) 2.223 27.014 ( -1.069 -0.389 -1.619) 1.979 27.046 ( 1.332 -1.897 -2.340) 3.294 27.132 ( -1.180 1.059 0.312) 1.616 27.248 ( 3.791 2.413 -5.626) 7.201 28.043 ( -0.326 8.207 0.295) 8.219 28.075 ( -0.661 7.975 -0.263) 8.007 28.221 ( -2.473 -0.831 1.670) 3.098 28.315 ( 0.364 0.854 -0.678) 1.150 28.399 ( 0.346 0.825 8.636) 8.682 28.551 ( 2.144 -1.141 4.597) 5.199 28.797 ( 1.824 0.031 -2.154) 2.823 28.828 ( -1.421 -1.649 -1.275) 2.522 28.869 ( -0.734 2.323 -1.094) 2.670 28.984 ( 1.375 -1.108 -0.176) 1.774 29.871 ( -5.507 11.696 -14.970) 19.780 30.051 ( -2.847 1.802 1.180) 3.570 30.214 ( -1.168 0.533 -12.133) 12.200 30.262 ( 2.166 -1.836 -5.861) 6.513 30.393 ( 1.653 0.364 -0.639) 1.809 30.449 ( -3.984 -0.911 -0.971) 4.201 30.474 ( 3.621 0.139 -0.477) 3.655 30.511 ( -1.827 -0.810 -1.501) 2.500 31.064 ( -1.018 0.511 17.892) 17.928 31.603 ( 6.263 -23.235 13.986) 27.833 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 23.780 16.234 9.571) 30.342 1.324 ( 15.708 20.664 23.908) 35.289 2.052 ( 2.021 -1.895 -5.370) 6.043 2.097 ( 29.408 20.212 22.836) 42.365 2.318 ( 3.236 -6.615 -13.598) 15.464 2.549 ( -5.837 3.805 -2.306) 7.339 2.574 ( -1.297 -2.324 0.843) 2.791 2.676 ( 2.170 3.613 -3.274) 5.337 2.802 ( -3.358 -1.359 5.040) 6.207 2.859 ( -1.858 4.940 6.469) 8.349 2.924 ( -1.751 5.726 -2.473) 6.478 2.967 ( 4.299 5.955 6.178) 9.598 3.097 ( -0.690 -1.396 -1.063) 1.885 3.264 ( 2.275 1.593 -0.713) 2.867 3.435 ( -2.661 11.649 -5.769) 13.269 3.579 ( 3.543 2.086 -8.645) 9.573 3.638 ( -2.187 0.549 -4.825) 5.326 3.692 ( 6.437 -0.274 8.572) 10.724 3.814 ( -0.674 -2.739 -1.790) 3.341 3.859 ( -2.757 -2.083 2.391) 4.202 3.896 ( 14.055 -1.684 -5.586) 15.218 3.991 ( 5.934 -1.923 -1.491) 6.414 4.011 ( 5.830 -2.887 3.302) 7.296 4.099 ( -1.782 0.334 0.385) 1.853 4.138 ( 3.804 2.491 1.061) 4.669 4.215 ( -2.877 -2.340 -4.600) 5.909 4.267 ( 8.357 2.752 1.333) 8.899 4.315 ( 4.090 5.245 2.014) 6.949 4.521 ( -1.660 5.283 0.992) 5.626 4.549 ( -6.096 6.374 5.491) 10.389 4.634 ( 0.916 3.429 -0.496) 3.584 4.675 ( 0.121 -1.711 -5.611) 5.867 4.718 ( 1.122 -1.713 -2.794) 3.464 4.774 ( 4.448 -5.444 2.400) 7.429 4.828 ( 2.759 -0.380 3.307) 4.324 4.898 ( -1.994 2.125 1.792) 3.421 5.011 ( 7.549 0.081 -3.500) 8.321 5.052 ( 5.131 -0.756 4.826) 7.085 5.158 ( -8.259 -2.902 0.454) 8.766 5.231 ( 6.918 -5.205 3.260) 9.251 5.289 ( 1.748 4.302 3.038) 5.549 5.324 ( 2.835 0.703 2.509) 3.850 5.490 ( 6.387 3.178 5.347) 8.915 5.572 ( -5.288 3.868 -5.706) 8.688 5.624 ( 2.327 0.129 -5.230) 5.725 5.787 ( 1.041 3.530 -5.451) 6.577 5.812 ( -3.344 1.191 -5.841) 6.835 5.940 ( 0.977 -2.681 -3.840) 4.785 6.003 ( 1.827 4.274 -1.347) 4.840 6.101 ( -3.893 1.086 -0.304) 4.053 6.173 ( -1.301 3.159 2.692) 4.350 6.320 ( 1.625 2.016 -5.704) 6.265 6.514 ( -5.020 1.289 0.881) 5.257 6.598 ( -3.902 0.427 -2.419) 4.610 6.618 ( -2.815 -5.950 2.706) 7.117 6.705 ( -4.253 -4.536 0.728) 6.260 6.792 ( -7.361 -8.464 -4.521) 12.094 6.827 ( -9.576 -4.651 -0.852) 10.680 6.893 ( -5.389 -7.574 2.310) 9.578 7.020 ( -2.129 -0.775 1.614) 2.782 7.088 ( 1.067 0.174 2.286) 2.528 7.227 ( 2.051 -3.135 3.185) 4.918 7.260 ( -4.089 4.625 3.756) 7.227 7.329 ( -3.570 -0.996 -0.382) 3.726 7.486 ( -8.537 3.402 -3.230) 9.741 7.576 ( 2.726 2.262 -0.406) 3.566 7.595 ( -0.707 -8.173 -3.631) 8.971 7.655 ( 0.702 -1.954 -5.816) 6.176 7.712 ( 0.585 0.297 1.295) 1.452 7.823 ( -7.100 0.050 -2.527) 7.537 7.863 ( -0.922 2.846 3.754) 4.800 7.951 ( -1.397 2.904 -2.903) 4.337 8.064 ( 2.200 0.535 1.642) 2.797 8.127 ( -3.026 2.037 2.023) 4.171 8.276 ( 1.784 -1.491 2.606) 3.493 8.429 ( 1.802 -1.080 -0.685) 2.210 8.508 ( -2.747 -5.598 4.038) 7.429 8.578 ( 0.900 -2.031 -1.041) 2.453 8.635 ( -4.666 0.595 0.187) 4.708 8.708 ( -0.253 -4.385 -4.343) 6.177 8.768 ( 0.578 -6.278 -1.362) 6.450 8.854 ( 3.065 4.253 1.573) 5.473 9.027 ( 1.094 2.273 3.309) 4.161 9.129 ( 2.420 -4.669 0.991) 5.351 9.197 ( -1.264 -11.742 6.568) 13.513 9.256 ( -2.575 4.540 -4.103) 6.639 9.326 ( 0.241 -0.939 0.112) 0.976 9.479 ( 4.697 -2.624 -0.263) 5.387 9.593 ( 0.916 6.865 1.446) 7.075 9.886 ( -2.864 1.653 -1.494) 3.629 9.929 ( -0.363 4.456 4.150) 6.100 10.046 ( -0.803 -1.797 -2.989) 3.579 10.106 ( 3.643 0.475 4.352) 5.695 10.195 ( 1.063 3.754 -2.031) 4.398 10.245 ( -2.955 2.135 2.516) 4.430 10.341 ( -5.257 5.616 0.498) 7.709 10.431 ( 0.081 0.194 3.988) 3.994 10.571 ( 0.941 0.764 -1.212) 1.714 10.611 ( -1.378 2.714 -1.667) 3.470 10.648 ( 1.088 2.393 1.423) 2.989 10.851 ( -1.462 -0.371 -1.640) 2.228 10.994 ( -5.175 -2.130 -0.061) 5.596 11.088 ( -9.680 1.841 0.314) 9.858 11.160 ( 2.863 -0.207 -2.813) 4.019 11.560 ( -9.026 -5.422 1.552) 10.643 11.584 ( -3.836 0.695 2.151) 4.453 11.601 ( -3.271 -4.275 -0.638) 5.421 11.812 ( -2.650 -5.635 -1.180) 6.338 11.859 ( -1.568 -0.581 -2.120) 2.700 11.916 ( -1.956 -2.470 5.752) 6.558 12.048 ( -3.057 2.018 1.096) 3.824 12.226 ( -8.907 -0.044 4.978) 10.204 12.464 ( -3.248 1.927 -0.543) 3.815 12.620 ( 1.372 -3.499 -8.869) 9.633 12.896 ( -0.354 1.038 1.158) 1.595 13.002 ( -3.992 1.307 -0.167) 4.204 13.086 ( 5.052 3.374 -0.816) 6.130 13.123 ( -5.042 0.626 -1.065) 5.191 13.323 ( 8.942 -4.983 -2.660) 10.576 13.508 ( -6.534 -1.456 -3.035) 7.350 13.601 ( 14.991 3.293 4.983) 16.137 13.686 ( 8.319 3.262 -2.957) 9.413 13.973 ( 0.534 -1.032 1.739) 2.091 14.160 ( 1.843 -0.964 1.983) 2.874 14.183 ( 7.132 -0.556 -1.274) 7.267 14.328 ( 15.927 -5.428 0.596) 16.837 14.421 ( 6.117 -3.741 2.254) 7.516 14.716 ( 8.980 2.171 -1.512) 9.361 14.760 ( 3.435 2.952 -1.561) 4.790 14.949 ( 1.026 -0.753 1.000) 1.618 15.006 ( 3.539 -3.442 -7.121) 8.666 15.081 ( 3.336 -3.767 2.870) 5.792 15.102 ( -0.027 -0.917 -1.179) 1.494 15.503 ( 11.358 -5.357 -0.913) 12.591 15.559 ( 0.807 2.450 -1.123) 2.813 15.723 ( 0.531 1.307 1.564) 2.106 16.045 ( -2.143 -3.160 1.441) 4.081 16.251 ( 3.966 -0.023 -1.838) 4.371 16.268 ( -0.804 0.667 -5.933) 6.025 16.476 ( 4.797 -1.828 -2.239) 5.600 16.536 ( 2.928 2.669 -1.781) 4.344 16.685 ( 12.056 -7.681 2.262) 14.473 16.892 ( 2.946 3.858 -0.036) 4.854 17.019 ( 4.242 1.018 0.954) 4.466 18.401 ( -5.680 1.202 0.116) 5.807 18.450 ( -1.939 0.965 1.593) 2.688 18.565 ( -3.939 0.830 0.848) 4.114 18.680 ( -5.466 -1.368 1.941) 5.959 19.226 ( -6.487 1.174 1.778) 6.828 19.336 ( -9.187 -0.163 -1.058) 9.249 19.431 ( -2.345 -1.549 -0.964) 2.971 19.445 ( -7.026 -0.604 -1.362) 7.182 25.129 ( -2.538 2.257 1.099) 3.570 25.293 ( 1.034 0.009 -3.270) 3.430 25.354 ( 8.233 -3.207 1.028) 8.895 25.597 ( 17.941 -11.118 -4.930) 21.675 26.991 ( -1.166 -0.093 -1.166) 1.652 27.039 ( -1.457 -1.010 -1.059) 2.065 27.111 ( -0.920 2.023 -0.842) 2.377 27.287 ( 0.209 2.155 -4.957) 5.409 28.020 ( -1.216 7.161 1.231) 7.367 28.076 ( 0.459 8.864 -0.961) 8.928 28.202 ( 0.495 0.284 4.353) 4.390 28.362 ( 3.667 1.695 -0.332) 4.053 28.389 ( -0.371 3.749 9.764) 10.465 28.661 ( 6.350 -5.236 1.322) 8.336 28.839 ( 4.378 -1.329 -1.842) 4.932 28.882 ( 2.806 -1.706 1.351) 3.551 28.939 ( 9.066 4.077 -6.537) 11.898 29.064 ( 7.441 -1.828 1.574) 7.822 29.606 ( -16.037 17.138 -0.807) 23.485 29.911 ( -7.492 1.344 -2.118) 7.901 30.078 ( -10.318 -1.282 -8.393) 13.363 30.211 ( -6.981 -5.129 -7.870) 11.704 30.388 ( 1.510 0.695 0.652) 1.786 30.398 ( -2.517 1.142 -0.444) 2.799 30.569 ( 3.882 0.865 -1.099) 4.127 30.682 ( 10.640 -1.487 -2.226) 10.972 30.974 ( -7.949 0.349 15.060) 17.033 31.491 ( -12.990 -16.032 11.271) 23.512 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 20.812 12.071 3.060) 24.253 1.700 ( 23.321 14.247 15.032) 31.190 2.049 ( 0.264 -2.352 -1.991) 3.093 2.285 ( -10.880 1.597 -2.181) 11.211 2.394 ( -3.850 0.936 2.018) 4.446 2.412 ( -1.130 2.499 -6.220) 6.798 2.616 ( -2.205 5.128 -2.731) 6.214 2.676 ( -0.181 -1.757 5.957) 6.213 2.817 ( -1.178 6.724 0.338) 6.835 2.848 ( 4.624 6.056 4.768) 8.988 2.896 ( 8.959 4.107 5.929) 11.501 3.083 ( 4.470 -2.448 -1.795) 5.403 3.194 ( 9.851 -2.210 -0.190) 10.098 3.352 ( 4.846 2.468 -4.583) 7.112 3.438 ( 0.240 7.627 -1.261) 7.734 3.493 ( -5.303 0.815 -13.113) 14.169 3.668 ( -3.383 -1.222 -1.024) 3.739 3.788 ( 8.264 -1.345 -3.991) 9.275 3.824 ( -1.547 -0.023 4.645) 4.896 3.867 ( 3.726 -0.321 0.877) 3.841 3.961 ( -2.160 -2.268 -5.736) 6.535 4.050 ( -0.531 -4.454 0.935) 4.582 4.115 ( 2.759 0.175 -1.393) 3.096 4.183 ( 1.155 2.135 -2.373) 3.394 4.225 ( 7.137 -0.126 -2.238) 7.481 4.301 ( 1.318 6.802 -1.279) 7.045 4.395 ( 2.118 6.680 6.558) 9.598 4.415 ( 0.658 3.121 0.502) 3.229 4.501 ( 14.122 5.394 11.563) 19.032 4.537 ( 5.861 3.388 2.467) 7.205 4.620 ( -3.191 3.251 -1.446) 4.779 4.686 ( -3.760 2.776 5.551) 7.256 4.703 ( 4.589 -3.032 -2.798) 6.171 4.765 ( 3.291 1.710 0.536) 3.747 4.916 ( 6.540 2.889 -3.825) 8.109 4.930 ( 1.618 -2.288 1.821) 3.342 5.089 ( 6.990 -6.645 -0.965) 9.693 5.118 ( 3.540 -2.262 7.746) 8.812 5.254 ( 3.112 -0.218 3.383) 4.602 5.335 ( 3.437 -2.747 3.965) 5.923 5.360 ( 4.039 4.590 2.414) 6.573 5.404 ( 2.535 -3.369 -0.727) 4.278 5.517 ( -0.718 5.782 1.998) 6.159 5.549 ( 2.479 5.452 4.345) 7.399 5.696 ( 2.391 2.591 -1.545) 3.850 5.760 ( 1.437 -0.858 -1.842) 2.489 5.789 ( 2.648 -0.900 -5.379) 6.062 5.943 ( -0.875 -3.092 -3.920) 5.069 6.059 ( 4.077 -1.246 1.765) 4.614 6.102 ( -0.045 -0.046 1.811) 1.812 6.178 ( -0.124 -0.779 -0.632) 1.011 6.302 ( -6.216 1.250 -2.334) 6.756 6.368 ( -6.289 -1.269 -3.337) 7.231 6.458 ( -6.543 1.129 3.826) 7.663 6.540 ( -1.329 -3.743 -7.581) 8.558 6.638 ( 0.214 -5.117 2.682) 5.781 6.680 ( -6.639 -3.064 -6.760) 9.958 6.710 ( -1.415 -6.179 3.012) 7.018 6.818 ( -0.891 -7.259 0.728) 7.350 6.946 ( -6.879 -0.114 3.908) 7.912 7.048 ( -6.187 -3.557 -0.464) 7.152 7.132 ( -4.924 1.321 2.562) 5.706 7.180 ( -7.319 -2.324 -0.969) 7.740 7.234 ( -7.878 3.438 -2.887) 9.068 7.343 ( -5.152 -3.287 4.637) 7.672 7.549 ( -6.231 -2.746 -6.921) 9.708 7.563 ( -3.129 -1.924 0.635) 3.728 7.612 ( -2.515 -1.115 -0.101) 2.753 7.697 ( -2.901 -0.527 0.612) 3.011 7.737 ( -0.036 0.625 0.554) 0.836 7.882 ( -0.471 2.461 6.403) 6.876 7.972 ( -0.584 2.862 -3.379) 4.466 8.055 ( 5.654 3.673 -0.003) 6.743 8.144 ( 2.753 1.346 -0.666) 3.136 8.330 ( 2.831 1.931 1.279) 3.658 8.380 ( -4.688 -0.330 -3.268) 5.724 8.485 ( -0.400 -3.708 -0.863) 3.828 8.531 ( -4.755 -1.122 -3.107) 5.790 8.611 ( 1.163 -0.142 1.435) 1.853 8.712 ( 0.005 -3.160 -2.162) 3.829 8.738 ( -2.557 -5.900 -0.018) 6.431 8.933 ( 4.055 1.108 -2.174) 4.733 9.031 ( -0.858 -0.484 5.196) 5.289 9.160 ( 0.628 -1.728 5.521) 5.819 9.173 ( 0.053 0.005 0.474) 0.477 9.214 ( -1.190 4.257 -5.565) 7.107 9.350 ( 0.274 -3.424 -1.118) 3.612 9.504 ( -5.341 -5.794 -4.626) 9.138 9.626 ( 2.310 4.474 2.239) 5.511 9.796 ( -1.853 4.072 1.908) 4.864 9.953 ( 0.337 2.126 6.427) 6.778 10.043 ( 0.485 -1.626 -1.211) 2.084 10.088 ( -5.276 3.120 -0.070) 6.130 10.210 ( -4.004 1.510 1.119) 4.423 10.239 ( 4.802 -2.002 5.366) 7.474 10.336 ( 7.026 2.746 -2.774) 8.038 10.385 ( -3.489 5.111 2.462) 6.660 10.578 ( -0.101 6.181 -4.127) 7.433 10.617 ( 3.705 -4.332 1.228) 5.831 10.686 ( 1.321 0.627 3.512) 3.804 10.774 ( -2.666 -3.069 -0.925) 4.169 10.911 ( -5.430 -1.040 -6.116) 8.244 11.076 ( 5.848 -0.114 -1.515) 6.042 11.231 ( 4.222 -2.420 -3.002) 5.718 11.412 ( -4.380 -1.426 3.173) 5.594 11.544 ( 0.150 2.354 -2.058) 3.130 11.566 ( -0.861 -0.910 0.250) 1.278 11.632 ( -11.922 2.988 -5.799) 13.591 11.815 ( -5.669 -5.467 4.445) 9.043 11.853 ( -4.239 -1.229 9.382) 10.368 12.006 ( -1.308 -0.734 -2.610) 3.010 12.076 ( -6.620 2.969 4.076) 8.322 12.444 ( 0.716 -4.066 0.506) 4.160 12.627 ( -1.853 -5.141 -5.108) 7.481 12.859 ( -3.304 3.670 -0.749) 4.994 12.874 ( -9.102 4.641 0.102) 10.218 13.031 ( 1.404 -1.637 0.427) 2.198 13.198 ( 1.958 -2.069 -0.494) 2.891 13.358 ( 1.115 1.871 -6.294) 6.660 13.467 ( -3.944 -1.962 -2.274) 4.958 13.788 ( 4.690 1.812 -1.150) 5.158 13.895 ( 10.239 1.710 2.261) 10.624 14.043 ( 4.797 1.361 4.030) 6.412 14.152 ( 0.109 -2.741 -2.287) 3.571 14.383 ( 12.531 -2.930 0.681) 12.887 14.548 ( 7.171 -4.091 -0.853) 8.299 14.563 ( 9.236 3.436 -0.861) 9.892 14.856 ( 6.557 1.915 0.124) 6.832 14.936 ( 9.844 -1.619 -0.294) 9.980 14.968 ( 1.843 3.305 -1.521) 4.078 15.060 ( 1.978 -4.217 -0.876) 4.739 15.124 ( 4.814 1.087 -2.585) 5.571 15.170 ( 2.390 -1.301 7.710) 8.177 15.504 ( -2.473 1.023 5.105) 5.764 15.673 ( -0.184 2.186 3.154) 3.842 15.724 ( 4.689 -2.635 0.495) 5.402 15.983 ( -3.528 -4.028 0.905) 5.430 16.257 ( 1.327 -9.265 -5.690) 10.954 16.348 ( 3.820 3.293 -0.409) 5.060 16.502 ( 0.105 -1.585 -0.151) 1.596 16.632 ( 5.606 4.665 -3.156) 7.947 16.847 ( 1.937 0.932 -2.677) 3.434 17.024 ( 7.187 -0.336 1.193) 7.293 17.150 ( 9.256 -0.636 -4.088) 10.138 18.283 ( -5.724 2.532 -1.346) 6.402 18.389 ( -4.172 1.654 0.899) 4.577 18.512 ( -2.259 -0.698 -1.868) 3.013 18.556 ( -6.882 -1.652 3.207) 7.770 19.067 ( -8.849 0.665 1.211) 8.956 19.139 ( -9.554 -0.646 -1.974) 9.777 19.290 ( -7.497 -0.174 -0.798) 7.541 19.373 ( -3.006 -2.342 -2.313) 4.458 25.107 ( -0.103 2.787 1.401) 3.121 25.313 ( 1.121 1.145 -3.584) 3.926 25.520 ( 7.944 -7.558 1.791) 11.110 25.891 ( 11.552 -18.523 -6.318) 22.726 26.964 ( -1.667 1.807 0.350) 2.483 27.017 ( -0.286 0.998 -2.058) 2.305 27.091 ( -1.074 3.056 -0.655) 3.305 27.264 ( -2.024 2.816 -3.364) 4.832 28.015 ( 0.665 7.836 1.403) 7.989 28.093 ( 1.178 9.595 -0.458) 9.677 28.224 ( 1.138 -0.281 6.091) 6.203 28.367 ( -1.135 6.064 9.385) 11.231 28.457 ( 4.110 2.484 -0.371) 4.817 28.754 ( 2.611 -5.200 2.478) 6.325 28.938 ( 3.957 0.754 0.838) 4.115 28.981 ( 8.391 -1.337 -3.075) 9.036 29.103 ( 6.596 6.262 -7.929) 12.066 29.283 ( 13.937 -2.509 1.502) 14.241 29.441 ( 1.406 6.119 6.813) 9.265 29.741 ( -10.187 -0.443 -4.598) 11.185 29.831 ( -13.540 -1.369 -4.739) 14.411 30.056 ( -8.028 -4.803 -9.255) 13.160 30.312 ( -6.619 2.128 1.714) 7.161 30.413 ( -1.355 0.153 1.110) 1.758 30.572 ( -3.711 1.403 4.628) 6.096 30.817 ( 1.234 -3.617 5.976) 7.094 30.861 ( 0.412 1.286 -1.454) 1.984 31.269 ( -8.447 -8.810 4.412) 12.978 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 7.045 8.105 -0.706) 10.762 1.966 ( -1.914 10.216 2.908) 10.792 2.095 ( -4.826 2.698 3.514) 6.551 2.209 ( 17.310 6.034 6.020) 19.295 2.391 ( 3.619 4.413 6.714) 8.812 2.456 ( 5.546 0.077 -4.585) 7.196 2.524 ( -6.554 3.692 -3.673) 8.371 2.648 ( -1.563 -0.832 1.388) 2.250 2.782 ( -3.400 0.096 -2.598) 4.280 2.828 ( -2.653 -1.077 2.586) 3.859 2.952 ( 0.002 0.682 -0.157) 0.700 3.149 ( -4.461 -4.335 -0.694) 6.259 3.247 ( -0.421 6.476 -2.871) 7.096 3.408 ( -0.976 3.473 -8.363) 9.108 3.474 ( 4.291 3.482 -1.779) 5.806 3.551 ( 5.884 1.900 -14.143) 15.435 3.698 ( 3.959 2.589 -0.488) 4.755 3.753 ( 0.444 5.888 6.007) 8.423 3.855 ( 0.729 -2.890 -3.507) 4.602 3.907 ( 0.232 -1.628 -4.109) 4.425 4.009 ( -1.962 -3.323 0.761) 3.933 4.019 ( 1.799 -1.383 -0.569) 2.339 4.120 ( 0.361 1.266 -5.572) 5.725 4.161 ( 1.015 -1.922 5.716) 6.115 4.266 ( 0.527 5.068 2.913) 5.869 4.320 ( -1.432 -3.580 3.325) 5.091 4.399 ( -3.538 3.455 0.870) 5.021 4.411 ( 0.071 7.757 4.047) 8.749 4.534 ( 6.167 5.420 2.410) 8.556 4.610 ( 2.773 0.752 -1.521) 3.251 4.663 ( -0.593 2.918 -1.594) 3.377 4.746 ( 2.469 1.337 8.181) 8.649 4.836 ( 1.507 -4.363 -3.060) 5.538 4.897 ( -3.504 3.923 1.081) 5.370 5.008 ( 1.830 2.233 -4.857) 5.650 5.079 ( 12.536 1.807 3.822) 13.230 5.121 ( 1.581 0.103 9.039) 9.177 5.215 ( 1.169 -0.278 11.870) 11.931 5.277 ( -6.460 -2.019 -1.460) 6.924 5.322 ( 7.164 2.960 1.612) 7.917 5.341 ( -1.982 1.281 5.763) 6.228 5.410 ( 3.396 -2.124 -3.948) 5.624 5.569 ( -4.595 6.214 -0.193) 7.731 5.615 ( 0.577 2.023 -0.220) 2.115 5.702 ( -0.063 -2.732 2.393) 3.632 5.825 ( -2.851 -2.373 -0.322) 3.723 5.831 ( 6.336 -1.364 2.930) 7.113 5.942 ( -0.216 -2.850 -0.077) 2.859 6.028 ( 3.110 -2.278 -1.707) 4.216 6.096 ( -2.141 -3.056 -2.810) 4.671 6.180 ( 2.218 -3.611 -0.252) 4.245 6.293 ( 1.713 -3.071 -0.450) 3.546 6.338 ( 0.418 -2.397 0.734) 2.542 6.436 ( 1.713 3.179 -3.095) 4.756 6.515 ( -6.195 -3.366 -4.195) 8.204 6.575 ( 6.551 -0.442 -6.573) 9.291 6.679 ( -0.642 -8.134 6.944) 10.714 6.702 ( 1.002 -1.760 0.690) 2.139 6.739 ( -6.996 1.427 0.404) 7.151 6.888 ( -5.690 1.219 0.025) 5.819 6.913 ( 4.667 -3.159 5.331) 7.758 7.020 ( -2.303 1.569 2.117) 3.499 7.099 ( -3.664 -2.022 1.169) 4.345 7.133 ( -3.495 1.164 -0.954) 3.805 7.286 ( 0.340 -7.467 0.641) 7.502 7.418 ( -4.229 -0.998 -1.179) 4.502 7.465 ( -7.564 -4.075 2.363) 8.910 7.526 ( -0.151 -2.206 3.232) 3.916 7.646 ( -3.538 -0.983 -3.195) 4.867 7.806 ( 2.445 0.693 1.633) 3.020 7.846 ( -0.593 5.979 -2.491) 6.504 7.906 ( -5.020 3.288 -3.894) 7.153 8.162 ( 0.402 1.006 -0.737) 1.310 8.260 ( 9.008 -0.555 0.321) 9.031 8.315 ( -2.652 1.293 -4.702) 5.551 8.379 ( 0.481 -0.087 -0.300) 0.574 8.425 ( -1.264 1.943 -3.747) 4.406 8.469 ( -1.679 -4.923 -4.597) 6.942 8.609 ( -1.744 1.368 -1.915) 2.929 8.679 ( -2.399 -1.489 -1.837) 3.369 8.761 ( 4.453 -0.787 7.453) 8.718 8.982 ( 0.756 -4.061 1.247) 4.315 9.054 ( 2.855 1.735 3.381) 4.754 9.152 ( -0.353 1.967 -1.817) 2.701 9.170 ( 0.158 0.768 1.040) 1.302 9.216 ( 0.052 -0.947 -1.104) 1.455 9.299 ( -4.964 -1.832 -3.872) 6.556 9.340 ( -6.376 -4.513 -1.151) 7.896 9.678 ( 1.818 1.294 2.265) 3.179 9.781 ( -0.561 5.937 1.784) 6.224 9.952 ( -0.603 -6.897 4.423) 8.215 9.992 ( -3.146 3.361 -0.063) 4.604 10.052 ( 0.007 3.859 3.420) 5.157 10.182 ( -0.105 0.460 5.189) 5.210 10.330 ( -2.528 3.881 -0.873) 4.713 10.342 ( 4.802 -1.095 1.086) 5.044 10.446 ( 2.866 2.250 -6.157) 7.154 10.592 ( -0.800 4.500 -5.676) 7.288 10.691 ( 6.313 1.974 -0.545) 6.637 10.739 ( 3.792 -5.002 -1.083) 6.370 10.765 ( 0.680 -2.556 -2.799) 3.851 10.826 ( -2.667 -2.157 -3.255) 4.729 11.180 ( 2.609 -5.126 2.843) 6.416 11.274 ( -0.723 -2.791 -0.419) 2.913 11.344 ( -5.707 0.828 1.514) 5.963 11.429 ( -2.483 4.488 -5.613) 7.604 11.552 ( -2.667 -4.868 -0.732) 5.599 11.611 ( 4.620 3.648 5.195) 7.851 11.722 ( -1.003 0.318 0.730) 1.281 11.766 ( -5.096 -0.336 9.095) 10.431 11.930 ( -3.799 6.872 -0.078) 7.852 12.038 ( 1.808 -0.057 -2.571) 3.144 12.482 ( 1.660 -9.015 0.081) 9.167 12.508 ( -7.211 -4.211 3.520) 9.062 12.745 ( -3.470 4.650 -2.653) 6.380 12.832 ( 0.358 2.383 -5.176) 5.709 13.085 ( 1.937 -2.931 0.909) 3.629 13.206 ( 0.542 -3.938 0.726) 4.041 13.358 ( -4.016 1.405 -2.369) 4.870 13.386 ( 0.605 3.411 -6.489) 7.356 13.875 ( 3.104 -0.158 1.452) 3.430 13.957 ( -2.392 -1.065 -0.353) 2.642 14.116 ( 2.499 2.249 1.324) 3.613 14.162 ( 1.059 -1.277 -3.440) 3.819 14.572 ( 3.728 -1.920 2.615) 4.942 14.674 ( 4.790 -3.529 1.594) 6.160 14.719 ( 6.299 -1.887 -4.486) 7.960 14.943 ( 1.910 2.340 -0.712) 3.103 14.975 ( -0.056 2.357 -1.113) 2.607 15.069 ( 1.175 -0.810 0.169) 1.437 15.139 ( 4.726 -1.857 -2.656) 5.730 15.193 ( 0.835 0.974 8.896) 8.988 15.223 ( 4.435 0.788 -0.547) 4.538 15.475 ( 0.302 2.119 4.496) 4.979 15.593 ( -6.042 4.561 4.421) 8.767 15.841 ( 3.793 -1.189 3.890) 5.562 15.944 ( -0.040 -3.725 -1.055) 3.872 16.268 ( -0.188 -8.504 -4.387) 9.571 16.399 ( 0.768 1.232 -0.465) 1.524 16.529 ( 2.857 -3.330 -1.361) 4.594 16.716 ( 3.014 4.409 -0.114) 5.342 16.833 ( -2.096 2.305 -1.131) 3.314 17.115 ( 2.683 4.211 0.842) 5.064 17.304 ( 5.021 -1.408 -3.165) 6.100 18.197 ( -2.122 3.334 0.543) 3.989 18.310 ( -3.132 1.631 -0.858) 3.634 18.428 ( -5.146 -0.715 2.223) 5.651 18.486 ( -0.477 -1.512 -2.625) 3.067 18.927 ( -4.479 0.818 0.223) 4.559 19.010 ( -2.861 -0.900 -2.289) 3.773 19.187 ( -2.518 -0.206 0.779) 2.644 19.330 ( -1.044 -3.458 -3.271) 4.873 25.113 ( 0.386 2.823 1.690) 3.313 25.329 ( 0.523 1.997 -3.756) 4.286 25.640 ( 3.718 -11.190 2.768) 12.112 26.033 ( 3.341 -20.388 -6.004) 21.515 26.933 ( -1.326 4.613 0.620) 4.840 27.028 ( 1.275 1.675 -2.670) 3.400 27.074 ( -0.615 3.535 0.165) 3.592 27.217 ( -2.383 3.192 -3.064) 5.026 28.043 ( 1.871 9.107 1.649) 9.443 28.113 ( 0.805 9.370 -0.123) 9.406 28.245 ( 0.611 -0.000 7.024) 7.051 28.343 ( -1.739 6.121 8.179) 10.362 28.517 ( 2.107 4.112 0.603) 4.659 28.747 ( -2.978 -1.778 5.511) 6.511 29.008 ( 3.687 2.072 -6.006) 7.346 29.167 ( 9.078 -1.987 -3.691) 9.999 29.221 ( 6.870 2.224 -3.183) 7.891 29.493 ( -8.498 -2.691 -1.516) 9.042 29.532 ( -2.159 -1.146 -4.220) 4.877 29.552 ( 1.273 -1.316 1.642) 2.459 29.685 ( 9.793 1.027 4.163) 10.691 29.932 ( -1.788 -3.888 -3.428) 5.483 30.146 ( -9.579 0.825 1.554) 9.740 30.271 ( -10.201 -1.700 -0.066) 10.342 30.545 ( 0.511 2.107 5.074) 5.518 30.815 ( 0.113 -4.215 2.986) 5.167 30.904 ( 1.369 1.413 -2.854) 3.466 31.170 ( -2.730 -5.253 -0.829) 5.977 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -8.489 3.795 1.752) 9.463 1.950 ( -3.477 5.924 -1.861) 7.117 2.091 ( 5.169 7.718 5.222) 10.656 2.212 ( -14.881 10.664 6.656) 19.480 2.448 ( 1.048 -0.416 -0.186) 1.143 2.453 ( 2.734 -0.600 3.617) 4.574 2.612 ( -7.400 3.581 -3.028) 8.760 2.647 ( 1.653 2.103 1.052) 2.874 2.715 ( 12.093 0.934 0.734) 12.151 2.801 ( -2.781 3.360 -4.232) 6.077 3.007 ( 4.161 -2.525 -2.778) 5.605 3.057 ( -2.516 -2.446 4.987) 6.098 3.299 ( 3.726 5.712 -7.173) 9.898 3.375 ( -1.879 -0.035 -6.857) 7.109 3.504 ( 0.391 2.556 -3.521) 4.369 3.566 ( -5.689 5.448 -0.931) 7.932 3.696 ( 2.351 3.183 -3.577) 5.334 3.753 ( -4.158 6.567 -6.305) 10.008 3.893 ( 4.114 -3.461 -4.034) 6.721 3.924 ( -0.630 1.622 -2.713) 3.223 3.978 ( 0.691 -1.319 -0.546) 1.586 4.042 ( -4.455 0.579 10.739) 11.641 4.073 ( -0.550 -2.367 -1.616) 2.918 4.215 ( 1.626 -2.855 -0.230) 3.294 4.302 ( -6.945 -3.727 4.840) 9.250 4.315 ( 0.333 6.279 3.602) 7.247 4.352 ( -1.698 1.942 -2.892) 3.875 4.444 ( 6.326 1.963 -6.855) 9.533 4.507 ( -1.666 -3.889 4.109) 5.897 4.634 ( 1.169 3.883 6.635) 7.776 4.692 ( -11.180 2.040 6.616) 13.150 4.734 ( -1.121 3.060 1.888) 3.766 4.849 ( 3.702 -2.605 -4.196) 6.172 4.871 ( 4.823 4.429 -0.692) 6.584 4.901 ( -9.229 3.299 3.005) 10.251 4.936 ( -7.748 1.317 5.721) 9.721 5.135 ( -2.579 4.380 -2.141) 5.516 5.215 ( 1.342 -0.086 3.968) 4.190 5.241 ( -0.617 1.712 0.462) 1.877 5.275 ( -14.254 6.265 -0.998) 15.602 5.414 ( 0.475 -0.412 -2.567) 2.643 5.447 ( 0.988 -1.084 11.526) 11.619 5.576 ( -1.564 -3.122 0.770) 3.576 5.649 ( -0.770 -0.299 6.442) 6.495 5.701 ( 6.285 -5.286 -0.569) 8.232 5.752 ( -4.998 -4.134 -0.840) 6.540 5.839 ( -4.024 -2.971 -2.622) 5.647 5.944 ( 2.071 6.246 -2.464) 7.027 6.054 ( 3.365 -7.209 -4.080) 8.941 6.127 ( -1.242 1.245 5.151) 5.443 6.176 ( 0.236 -0.701 -3.809) 3.881 6.279 ( -4.340 -11.341 -1.520) 12.238 6.324 ( 0.495 0.469 1.016) 1.223 6.460 ( 5.642 0.149 0.426) 5.660 6.555 ( -0.640 1.153 -0.908) 1.602 6.617 ( 0.523 -4.702 0.851) 4.807 6.646 ( -1.787 -0.995 3.762) 4.283 6.730 ( 1.896 0.380 -0.827) 2.103 6.774 ( 4.512 2.653 -4.251) 6.743 6.878 ( 4.561 1.276 7.342) 8.737 6.949 ( -0.991 -4.165 0.001) 4.282 7.013 ( 2.213 3.039 1.053) 3.904 7.083 ( 2.079 -0.911 -0.491) 2.322 7.190 ( 9.163 -4.739 -1.234) 10.389 7.327 ( -1.135 -3.322 5.620) 6.626 7.383 ( 9.138 -1.847 0.739) 9.352 7.503 ( 7.763 0.057 2.160) 8.058 7.546 ( -4.342 -2.420 -5.399) 7.339 7.624 ( 8.342 -3.673 7.521) 11.817 7.759 ( -4.293 5.544 -3.857) 8.002 7.772 ( -7.522 -3.645 -1.300) 8.459 7.896 ( 3.067 4.583 -5.841) 8.033 8.134 ( -1.488 -1.331 -2.138) 2.925 8.251 ( -1.619 4.099 -2.776) 5.209 8.352 ( 0.915 -0.643 -1.042) 1.528 8.391 ( -0.589 -5.728 -3.564) 6.771 8.452 ( 1.879 1.321 -1.005) 2.508 8.480 ( 1.995 -1.870 -3.703) 4.603 8.587 ( 0.739 3.570 0.918) 3.759 8.640 ( -0.752 1.731 -0.627) 1.988 8.860 ( 4.376 0.214 6.078) 7.492 8.935 ( -4.287 -4.548 -0.651) 6.284 9.104 ( 0.844 1.000 3.482) 3.720 9.132 ( -2.759 -3.140 1.396) 4.407 9.201 ( 0.624 -0.664 -3.109) 3.239 9.206 ( -0.277 0.424 -1.447) 1.533 9.285 ( 4.317 0.741 -0.486) 4.407 9.324 ( 6.974 -1.936 -2.803) 7.762 9.697 ( 0.749 0.680 2.554) 2.747 9.798 ( 2.293 4.911 1.933) 5.755 9.880 ( -6.474 -8.318 0.316) 10.545 9.987 ( 1.053 0.519 3.694) 3.877 10.068 ( 2.388 6.707 2.828) 7.660 10.182 ( -0.177 -0.348 3.415) 3.437 10.242 ( -6.421 2.233 -1.555) 6.974 10.377 ( -1.766 4.483 -0.762) 4.878 10.484 ( 0.342 -2.239 -1.874) 2.940 10.543 ( -0.469 5.515 -4.733) 7.283 10.716 ( -5.134 -4.447 -1.734) 7.010 10.783 ( -3.136 -1.044 -1.492) 3.626 10.809 ( 2.575 -2.558 -1.803) 4.053 10.879 ( 9.508 1.157 -3.942) 10.358 11.131 ( -4.297 -1.200 -1.684) 4.768 11.209 ( -1.932 -1.246 4.777) 5.302 11.280 ( -0.017 0.062 -1.191) 1.193 11.413 ( -5.658 -1.548 -2.904) 6.546 11.573 ( 2.648 -0.127 0.678) 2.736 11.651 ( 4.249 -1.710 3.553) 5.797 11.707 ( 0.223 0.796 6.862) 6.911 11.748 ( 1.333 -0.370 -0.252) 1.406 11.964 ( 5.543 5.692 -0.671) 7.973 12.096 ( 3.865 1.647 0.641) 4.250 12.385 ( -2.025 -3.391 2.059) 4.454 12.576 ( 6.354 -4.320 2.481) 8.074 12.708 ( -0.711 4.054 -3.969) 5.718 12.843 ( 0.840 0.520 -5.264) 5.355 13.067 ( -2.321 -2.637 1.010) 3.656 13.242 ( 2.292 -4.122 1.158) 4.857 13.361 ( 2.020 1.336 -3.805) 4.510 13.377 ( 0.451 2.266 -6.121) 6.543 13.864 ( -6.657 -0.409 -1.881) 6.930 13.882 ( -2.709 0.637 2.709) 3.884 14.098 ( -3.886 0.354 0.067) 3.902 14.205 ( 2.741 -2.361 -2.396) 4.339 14.543 ( -5.734 -0.390 1.715) 5.997 14.695 ( -3.141 -4.550 1.551) 5.743 14.780 ( 0.008 -0.137 -2.654) 2.657 14.911 ( -4.670 -1.523 -2.354) 5.447 14.932 ( -5.727 2.089 -3.732) 7.147 15.014 ( -4.965 -0.292 5.933) 7.742 15.153 ( -1.724 -1.565 -1.244) 2.640 15.242 ( -1.834 -0.319 1.540) 2.416 15.272 ( 4.138 2.230 2.337) 5.249 15.454 ( -7.825 5.685 5.284) 11.021 15.538 ( 4.573 2.269 3.472) 6.174 15.830 ( -4.633 0.341 3.201) 5.641 15.973 ( 2.401 -3.268 -0.024) 4.055 16.246 ( -1.973 -7.093 -4.179) 8.466 16.380 ( -2.196 3.316 -2.357) 4.623 16.551 ( -1.207 -3.515 0.440) 3.743 16.775 ( 2.751 -2.868 -2.603) 4.751 16.794 ( -1.471 2.663 2.565) 3.979 17.148 ( 1.118 7.456 -0.952) 7.599 17.300 ( -5.349 -0.259 -1.865) 5.671 18.234 ( 5.625 1.453 2.098) 6.177 18.299 ( 2.599 0.802 -3.015) 4.060 18.375 ( -0.139 0.692 1.512) 1.668 18.513 ( 3.570 -1.659 -1.307) 4.148 18.918 ( 3.646 1.670 -0.131) 4.013 19.034 ( 5.073 -0.831 -1.502) 5.356 19.198 ( 3.472 -0.627 1.174) 3.718 19.331 ( 1.141 -4.285 -3.722) 5.789 25.117 ( -0.091 2.831 1.852) 3.384 25.327 ( -0.570 1.812 -3.892) 4.330 25.653 ( -2.588 -11.789 3.423) 12.546 26.020 ( -4.365 -19.920 -6.782) 21.491 26.921 ( 0.204 5.408 -0.005) 5.412 27.058 ( 1.858 1.690 -2.890) 3.829 27.067 ( -0.248 3.029 0.701) 3.119 27.177 ( -1.358 3.218 -2.760) 4.452 28.066 ( -0.050 10.312 1.186) 10.380 28.137 ( 2.038 9.090 0.018) 9.316 28.243 ( -1.376 2.273 6.764) 7.267 28.313 ( -1.399 1.982 7.927) 8.290 28.542 ( 0.188 5.591 1.433) 5.775 28.686 ( -2.848 -1.545 4.026) 5.168 29.041 ( -0.844 -1.090 -7.538) 7.663 29.155 ( -10.432 -1.671 -0.562) 10.580 29.325 ( -4.787 1.331 1.160) 5.102 29.362 ( -3.029 0.367 -4.255) 5.236 29.397 ( 0.347 1.054 -3.010) 3.208 29.613 ( 6.411 -3.054 -0.942) 7.163 29.953 ( -0.598 -0.399 5.150) 5.200 30.005 ( 12.726 -1.526 3.082) 13.183 30.050 ( 4.895 -0.369 -3.353) 5.945 30.163 ( 3.238 -2.684 -2.415) 4.849 30.561 ( 0.898 2.020 5.547) 5.971 30.826 ( 1.098 -4.081 2.238) 4.782 30.901 ( -1.595 1.052 -1.902) 2.696 31.129 ( -1.890 -4.299 -2.101) 5.144 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -25.492 5.624 7.568) 27.180 1.729 ( -22.685 11.143 8.768) 26.751 2.013 ( -0.541 -4.777 -3.063) 5.701 2.298 ( 9.369 4.274 1.770) 10.449 2.394 ( -4.584 10.088 -1.929) 11.247 2.445 ( -4.563 -1.003 0.190) 4.676 2.622 ( 7.356 1.073 3.994) 8.439 2.672 ( -1.116 6.943 1.492) 7.189 2.735 ( 1.550 7.339 -2.830) 8.017 2.872 ( 1.532 10.895 -0.562) 11.017 2.936 ( -6.022 2.151 6.071) 8.817 3.073 ( -3.362 -2.898 -5.923) 7.401 3.249 ( -2.794 2.342 -7.486) 8.327 3.315 ( -11.013 -2.712 0.971) 11.383 3.457 ( -2.014 -6.580 -4.214) 8.069 3.573 ( 3.944 0.656 -0.210) 4.004 3.665 ( -0.049 4.908 -5.863) 7.646 3.733 ( -10.166 2.342 9.066) 13.821 3.805 ( -4.712 2.365 -0.589) 5.305 3.833 ( -6.346 2.336 0.432) 6.776 3.943 ( -6.003 2.301 -9.006) 11.065 4.012 ( 0.312 4.377 0.554) 4.423 4.090 ( 3.138 2.352 -1.815) 4.321 4.159 ( 1.137 -6.558 2.168) 7.000 4.186 ( -0.746 -3.487 -4.900) 6.061 4.282 ( -1.065 -1.092 0.880) 1.761 4.381 ( 1.867 3.086 5.799) 6.829 4.422 ( -10.235 -0.318 1.928) 10.420 4.546 ( 0.301 -4.596 0.057) 4.606 4.598 ( -6.112 3.576 -4.419) 8.347 4.644 ( 5.998 3.791 -1.554) 7.264 4.743 ( 4.043 3.813 3.833) 6.751 4.818 ( 4.553 -1.833 4.621) 6.741 4.829 ( -1.637 2.396 6.341) 6.973 4.934 ( 0.561 -1.316 3.217) 3.521 4.986 ( -1.441 -1.853 2.410) 3.364 5.039 ( -7.199 0.018 -6.001) 9.372 5.078 ( -4.894 7.055 1.410) 8.701 5.099 ( -9.437 0.657 4.576) 10.508 5.280 ( -9.246 -0.499 7.390) 11.847 5.347 ( -4.420 -1.640 7.102) 8.524 5.373 ( 2.414 1.306 -3.279) 4.276 5.409 ( -3.206 -1.209 -0.629) 3.484 5.629 ( -7.872 1.259 0.407) 7.982 5.714 ( 3.961 5.115 -2.825) 7.059 5.789 ( 0.162 0.994 -2.780) 2.957 5.826 ( 1.633 -6.141 1.208) 6.468 5.946 ( -1.213 5.037 -5.513) 7.566 6.013 ( -6.308 -3.576 -1.002) 7.320 6.134 ( -1.636 -1.715 4.633) 5.204 6.224 ( 8.566 -0.720 -0.750) 8.629 6.245 ( -1.795 -4.123 -3.674) 5.807 6.365 ( 5.049 3.023 3.314) 6.754 6.461 ( -4.812 2.042 -2.545) 5.814 6.560 ( -0.266 -0.309 0.437) 0.598 6.600 ( 3.795 -6.118 -2.285) 7.554 6.709 ( 5.846 -3.217 0.650) 6.704 6.775 ( 4.665 -2.271 -4.523) 6.883 6.883 ( 6.717 1.957 -0.732) 7.035 6.936 ( 3.839 -4.573 3.299) 6.821 6.999 ( 1.249 1.379 -0.481) 1.922 7.101 ( 3.311 -5.388 1.925) 6.611 7.187 ( 7.033 2.254 2.464) 7.785 7.240 ( 2.091 -8.173 5.081) 9.849 7.444 ( -3.200 -2.146 -4.595) 5.997 7.466 ( 7.343 -0.342 -3.916) 8.329 7.538 ( 5.543 5.193 -5.174) 9.190 7.638 ( -1.950 -4.281 -2.041) 5.128 7.704 ( 6.085 -0.170 3.442) 6.993 7.740 ( 4.074 2.336 3.428) 5.814 7.801 ( 7.417 0.120 6.057) 9.577 7.990 ( 6.820 0.200 0.024) 6.823 8.146 ( 1.920 -0.204 1.194) 2.270 8.247 ( -1.650 2.256 0.166) 2.801 8.311 ( -1.668 -0.244 -2.457) 2.980 8.372 ( -0.962 -3.893 -0.416) 4.031 8.467 ( 0.567 -1.345 -0.390) 1.511 8.530 ( 4.769 0.031 -4.167) 6.333 8.609 ( 1.162 0.415 -2.038) 2.382 8.687 ( 3.632 2.976 1.532) 4.939 8.851 ( -3.840 -1.039 -0.123) 3.980 8.911 ( -1.896 -4.759 -1.661) 5.385 9.043 ( -3.616 1.833 0.986) 4.172 9.091 ( -3.587 -0.908 4.448) 5.786 9.179 ( -0.796 -5.180 -2.793) 5.939 9.213 ( 0.105 -2.428 1.755) 2.997 9.424 ( 6.997 2.784 2.700) 8.001 9.493 ( 8.114 3.742 -4.874) 10.178 9.664 ( -6.487 -6.190 -1.623) 9.112 9.808 ( 2.505 -1.991 2.139) 3.849 9.862 ( 3.690 5.257 2.112) 6.761 10.025 ( 3.068 0.531 2.568) 4.036 10.071 ( -5.908 3.625 -1.026) 7.007 10.147 ( -0.324 0.001 1.955) 1.982 10.207 ( 3.849 3.346 1.423) 5.295 10.324 ( -2.285 5.216 -0.342) 5.704 10.451 ( -1.389 -2.168 -1.640) 3.052 10.543 ( -5.756 0.842 -0.712) 5.861 10.589 ( -4.379 -2.820 1.927) 5.553 10.679 ( -3.951 2.011 4.206) 6.111 10.855 ( 2.364 -0.476 -2.698) 3.619 11.006 ( 6.036 2.247 -2.303) 6.840 11.126 ( 1.146 -0.004 0.075) 1.148 11.226 ( -3.342 3.456 -8.862) 10.082 11.314 ( 6.571 0.627 -2.524) 7.067 11.340 ( 2.993 -4.340 3.186) 6.160 11.568 ( 1.773 -1.458 0.009) 2.295 11.697 ( -0.232 -2.661 4.955) 5.629 11.763 ( 1.431 -2.281 1.072) 2.899 11.847 ( 7.217 -2.497 0.403) 7.648 12.056 ( 3.465 -0.254 1.214) 3.680 12.156 ( 2.198 0.687 3.207) 3.948 12.446 ( 6.652 6.061 3.422) 9.628 12.706 ( 0.748 3.856 -6.618) 7.696 12.742 ( 10.446 -0.775 0.236) 10.478 12.861 ( 0.787 0.611 -1.789) 2.048 13.051 ( 1.032 -1.340 2.530) 3.043 13.249 ( -2.252 -3.657 -2.799) 5.126 13.384 ( -2.830 0.306 -7.653) 8.165 13.393 ( 3.456 -0.550 -3.370) 4.859 13.697 ( -11.065 -1.254 -0.080) 11.137 13.752 ( -10.770 -0.178 0.455) 10.781 14.035 ( -0.526 0.653 3.124) 3.235 14.229 ( -0.913 -2.877 -1.037) 3.191 14.378 ( -10.672 -1.467 1.908) 10.940 14.558 ( -11.021 -2.782 0.578) 11.382 14.660 ( -11.219 -0.010 -3.687) 11.809 14.761 ( -10.987 -1.352 -1.740) 11.206 14.828 ( -2.112 -0.213 -0.591) 2.203 14.951 ( -1.458 -0.920 3.452) 3.858 15.060 ( -8.008 6.250 -4.973) 11.311 15.154 ( -5.336 -0.907 6.033) 8.105 15.296 ( -4.165 2.369 0.370) 4.806 15.383 ( 2.052 -1.246 1.900) 3.062 15.580 ( -1.867 -0.058 3.034) 3.563 15.730 ( -3.653 3.329 0.746) 4.998 16.021 ( 2.309 -2.437 1.837) 3.827 16.192 ( -2.349 -2.202 -4.837) 5.811 16.341 ( -1.357 1.814 -2.530) 3.396 16.520 ( -1.267 -2.945 0.392) 3.230 16.724 ( -5.072 -4.701 1.115) 7.005 16.820 ( 0.131 -1.938 -2.092) 2.855 17.130 ( -7.872 4.330 -4.851) 10.211 17.160 ( -3.192 3.925 1.522) 5.283 18.358 ( 6.109 -1.193 -0.097) 6.225 18.384 ( 3.381 -0.630 0.214) 3.446 18.432 ( 6.475 2.093 -0.499) 6.823 18.637 ( 9.414 -4.304 1.927) 10.529 19.049 ( 8.823 2.246 0.459) 9.116 19.179 ( 8.948 -0.932 -0.521) 9.011 19.310 ( 7.379 -1.018 0.168) 7.451 19.362 ( 1.939 -3.786 -3.875) 5.755 25.116 ( 0.116 2.780 1.789) 3.308 25.307 ( -1.127 0.726 -3.952) 4.173 25.549 ( -7.831 -8.701 3.196) 12.135 25.860 ( -11.748 -17.789 -8.143) 22.820 26.942 ( 1.951 3.509 -0.860) 4.106 27.058 ( -0.758 2.052 -0.738) 2.309 27.097 ( 2.355 1.612 -2.218) 3.615 27.165 ( 0.121 2.668 -1.571) 3.098 28.053 ( -0.914 9.507 0.603) 9.570 28.156 ( -1.525 12.023 -2.434) 12.361 28.230 ( 1.276 0.513 8.623) 8.732 28.297 ( -0.752 -1.178 6.903) 7.043 28.507 ( -3.998 4.662 0.962) 6.216 28.642 ( -2.145 -2.582 3.090) 4.563 28.942 ( -8.872 -0.340 -1.974) 9.096 28.993 ( -3.751 -1.763 -2.413) 4.796 29.135 ( -10.510 1.140 -1.288) 10.650 29.186 ( -11.570 -0.367 -3.310) 12.040 29.541 ( 10.783 5.771 7.392) 14.290 29.840 ( 13.745 -2.799 -3.167) 14.380 29.907 ( -0.179 1.534 -5.797) 5.999 30.115 ( 4.751 -1.105 -13.732) 14.573 30.282 ( 7.745 -1.828 2.855) 8.454 30.323 ( 9.437 -1.402 5.809) 11.170 30.604 ( 3.153 2.639 6.530) 7.717 30.837 ( -4.439 0.303 -5.833) 7.336 30.877 ( 3.881 -3.892 9.086) 10.620 31.111 ( 1.793 -5.287 2.335) 6.051 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -22.157 9.550 16.156) 29.038 1.227 ( -25.642 18.465 13.827) 34.492 1.946 ( -23.055 35.338 21.012) 47.137 2.075 ( 5.216 -14.206 -10.565) 18.456 2.337 ( -8.253 -10.387 0.138) 13.268 2.578 ( -3.277 9.993 -4.455) 11.421 2.639 ( 6.489 4.082 0.754) 7.703 2.756 ( 6.447 0.361 3.472) 7.332 2.781 ( -6.609 0.960 0.449) 6.694 2.802 ( -0.395 4.177 -0.550) 4.232 2.949 ( -7.840 -0.942 -9.555) 12.396 2.997 ( 11.605 12.315 2.540) 17.111 3.108 ( -5.894 0.317 6.463) 8.752 3.239 ( -0.539 9.068 -3.156) 9.617 3.325 ( -0.751 -4.750 -5.183) 7.071 3.571 ( -1.575 -1.176 5.157) 5.519 3.602 ( -3.559 -1.095 1.963) 4.210 3.730 ( -0.953 3.398 -1.748) 3.938 3.750 ( 1.777 1.891 -1.692) 3.098 3.796 ( -0.910 -0.315 -6.471) 6.542 3.886 ( 2.641 -1.216 -0.793) 3.014 3.976 ( -5.675 -1.718 2.589) 6.470 4.084 ( -4.447 -1.246 -1.650) 4.904 4.163 ( -6.333 6.389 4.717) 10.157 4.190 ( -3.568 -2.034 0.092) 4.108 4.233 ( 1.174 -4.070 1.204) 4.404 4.264 ( 0.760 3.770 -1.124) 4.007 4.458 ( 1.032 3.633 -7.099) 8.041 4.532 ( -0.748 -1.729 1.494) 2.405 4.564 ( 1.265 -1.230 1.692) 2.445 4.671 ( -4.902 1.646 -1.255) 5.321 4.698 ( -11.352 1.344 1.725) 11.560 4.734 ( -8.841 -1.279 -4.295) 9.912 4.790 ( -5.146 -0.992 6.367) 8.246 4.823 ( -3.646 -1.534 6.712) 7.791 4.867 ( -5.577 -3.663 -0.699) 6.709 4.980 ( 3.325 2.751 1.973) 4.745 5.040 ( 2.135 -1.274 0.469) 2.530 5.095 ( 2.325 -0.696 -0.739) 2.536 5.198 ( -0.521 1.330 4.068) 4.312 5.278 ( -0.346 3.280 -1.977) 3.845 5.334 ( -2.288 2.179 3.462) 4.687 5.427 ( -3.809 4.411 -0.702) 5.870 5.601 ( 5.218 -4.524 -2.862) 7.476 5.770 ( 0.884 1.327 -5.121) 5.364 5.790 ( 0.615 2.413 3.304) 4.137 5.863 ( 0.711 5.072 -4.248) 6.654 5.915 ( -2.788 -4.128 -3.737) 6.227 5.967 ( 5.394 3.971 -3.095) 7.379 6.067 ( -3.921 3.070 -0.242) 4.986 6.224 ( -0.107 4.943 -5.395) 7.318 6.267 ( 0.120 4.053 -2.307) 4.665 6.470 ( 4.588 -3.455 0.047) 5.744 6.522 ( 6.644 0.226 1.521) 6.819 6.639 ( 7.926 -2.105 -4.103) 9.170 6.673 ( 3.616 -4.027 0.408) 5.428 6.787 ( 2.323 -4.752 1.573) 5.519 6.867 ( 2.600 -2.039 -3.954) 5.153 6.986 ( 0.488 1.177 4.029) 4.226 7.016 ( 5.014 -4.395 3.621) 7.587 7.040 ( 3.786 -3.188 -0.179) 4.952 7.135 ( 2.837 -4.616 -1.373) 5.590 7.229 ( -1.161 -3.800 2.517) 4.703 7.304 ( 3.558 -8.988 1.388) 9.766 7.490 ( 5.600 0.050 -0.321) 5.609 7.548 ( 2.296 7.813 -1.585) 8.296 7.602 ( 2.627 3.136 -7.485) 8.530 7.731 ( 5.755 3.264 2.882) 7.216 7.748 ( 0.610 -5.008 -1.366) 5.226 7.804 ( 1.837 0.061 0.163) 1.845 7.879 ( 0.312 1.096 4.586) 4.726 8.047 ( -5.135 2.216 -2.285) 6.042 8.154 ( -2.449 1.606 2.641) 3.944 8.214 ( 4.241 -2.257 1.318) 4.982 8.331 ( 0.374 -6.060 1.709) 6.307 8.355 ( -2.027 -4.932 -1.633) 5.577 8.537 ( 6.108 -1.688 1.603) 6.536 8.599 ( 0.763 0.297 -1.303) 1.539 8.659 ( 1.727 -0.238 -2.168) 2.782 8.705 ( -2.521 -1.682 0.506) 3.073 8.771 ( -3.454 0.720 0.374) 3.548 8.828 ( 0.124 -5.377 -1.437) 5.567 8.988 ( -2.296 2.758 3.346) 4.906 9.011 ( -3.167 0.680 3.004) 4.417 9.152 ( -1.671 -5.590 -1.925) 6.144 9.250 ( 2.946 -6.148 7.051) 9.807 9.475 ( -2.557 3.144 0.375) 4.070 9.514 ( -5.893 -0.532 -1.637) 6.140 9.626 ( 3.688 4.055 -0.154) 5.483 9.845 ( -0.421 -1.138 -0.145) 1.222 9.944 ( -3.701 3.571 2.528) 5.731 9.993 ( 8.907 6.078 1.049) 10.834 10.078 ( 0.762 -0.426 -1.031) 1.351 10.191 ( 2.537 -0.943 0.788) 2.819 10.281 ( -3.130 3.577 2.051) 5.177 10.291 ( 2.549 3.388 -2.302) 4.825 10.377 ( 0.507 3.539 1.039) 3.723 10.513 ( 1.875 -0.684 -2.010) 2.833 10.538 ( 0.732 -1.686 1.053) 2.118 10.690 ( 2.174 -0.782 1.940) 3.017 10.913 ( 4.619 1.665 -3.360) 5.950 11.048 ( -7.294 1.200 -2.509) 7.807 11.142 ( 6.444 3.773 0.679) 7.498 11.227 ( 3.770 1.182 1.164) 4.119 11.402 ( 6.685 -1.076 6.114) 9.123 11.550 ( 11.528 -1.989 -2.695) 12.005 11.658 ( 4.958 -1.893 2.378) 5.816 11.710 ( 2.524 -6.626 1.814) 7.319 11.802 ( 3.842 -0.095 -0.443) 3.868 11.919 ( 1.776 -3.037 -1.677) 3.897 12.084 ( 0.211 -0.074 3.641) 3.648 12.237 ( 5.919 0.024 2.865) 6.576 12.556 ( 3.898 6.505 0.760) 7.621 12.723 ( 1.187 3.838 -8.443) 9.350 12.843 ( -2.907 1.697 1.504) 3.687 12.952 ( 8.621 0.612 1.473) 8.767 13.080 ( -1.759 0.392 0.756) 1.954 13.175 ( -2.978 -3.332 -3.499) 5.675 13.264 ( -6.191 0.071 -7.275) 9.552 13.394 ( -10.902 -4.339 -6.171) 13.257 13.443 ( -9.862 1.285 2.497) 10.254 13.619 ( 2.805 -0.507 1.970) 3.465 14.029 ( -4.349 -3.386 3.608) 6.587 14.147 ( -7.443 -4.534 0.207) 8.718 14.184 ( -6.842 -1.339 -0.199) 6.974 14.322 ( -9.055 3.722 2.086) 10.010 14.384 ( -16.792 -3.426 -1.045) 17.170 14.620 ( -1.149 -0.212 -3.153) 3.363 14.795 ( -1.675 3.748 0.477) 4.133 14.903 ( -5.446 7.197 -7.727) 11.881 14.969 ( 1.895 0.317 2.634) 3.260 15.056 ( -4.578 -1.187 1.843) 5.076 15.191 ( -6.096 -0.199 -2.421) 6.562 15.364 ( -5.600 -6.308 -2.085) 8.689 15.545 ( 0.600 2.794 5.376) 6.089 15.690 ( -1.028 6.496 0.425) 6.590 16.064 ( 2.316 -2.782 0.920) 3.735 16.194 ( 2.452 0.917 -2.042) 3.320 16.295 ( -4.243 -2.438 -3.721) 6.147 16.506 ( -0.563 -0.127 -1.056) 1.203 16.609 ( -5.657 -5.404 1.331) 7.936 16.756 ( -7.363 -6.299 -2.344) 9.969 16.984 ( -4.638 4.134 0.045) 6.213 17.061 ( -7.986 1.889 0.118) 8.207 18.433 ( 1.948 0.406 1.116) 2.281 18.448 ( 2.706 -0.395 1.139) 2.962 18.567 ( 6.603 0.058 -1.460) 6.763 18.821 ( 5.984 -11.562 3.160) 13.397 19.216 ( 7.024 1.939 1.435) 7.426 19.342 ( 6.943 -1.173 0.157) 7.043 19.402 ( 3.088 -0.213 -2.749) 4.139 19.456 ( 6.355 -0.965 -0.756) 6.472 25.134 ( 1.963 2.239 1.346) 3.268 25.285 ( -0.807 -0.423 -3.585) 3.699 25.379 ( -8.742 -3.890 2.194) 9.817 25.561 ( -17.398 -10.253 -6.460) 21.203 26.993 ( 3.081 0.136 -1.709) 3.526 27.039 ( -0.954 1.119 -2.030) 2.507 27.139 ( 1.106 0.881 0.483) 1.494 27.180 ( 2.220 2.829 -3.619) 5.102 28.041 ( -0.186 8.990 0.475) 9.005 28.108 ( -2.411 8.921 -0.857) 9.281 28.258 ( -0.577 -0.557 3.407) 3.500 28.304 ( 1.822 0.066 5.565) 5.856 28.412 ( -4.381 2.568 2.264) 5.560 28.589 ( -3.574 -2.439 3.939) 5.851 28.815 ( -3.786 0.782 -1.912) 4.313 28.924 ( -4.215 -1.676 0.931) 4.631 28.937 ( -8.462 0.340 -1.326) 8.572 29.009 ( -4.885 0.326 -3.470) 6.001 29.809 ( 14.576 10.379 2.678) 18.093 29.931 ( 3.274 2.219 -5.431) 6.718 30.090 ( 11.103 -2.307 -4.401) 12.164 30.202 ( 4.172 -1.179 -15.865) 16.447 30.343 ( 1.583 0.332 0.447) 1.678 30.446 ( 2.431 -2.841 1.984) 4.233 30.602 ( -4.965 1.131 0.719) 5.143 30.686 ( -11.241 -0.626 -7.396) 13.471 30.996 ( 6.259 -1.167 15.927) 17.153 31.296 ( 16.955 -10.461 15.520) 25.255 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 5.810 27.552 -3.603) 28.387 1.534 ( 5.295 25.296 13.265) 29.050 1.776 ( 4.462 -24.100 -11.846) 27.222 1.967 ( 2.821 -17.097 5.117) 18.068 2.356 ( -3.085 21.095 25.643) 33.347 2.594 ( -3.273 -6.241 9.957) 12.199 2.636 ( -5.664 1.119 -0.562) 5.801 2.663 ( -1.789 -1.579 -1.746) 2.957 2.855 ( -1.019 10.534 2.671) 10.915 2.923 ( 1.545 3.200 7.243) 8.068 3.068 ( 0.059 9.171 -0.657) 9.195 3.101 ( 1.793 3.789 -5.514) 6.926 3.185 ( -1.645 4.752 0.674) 5.074 3.308 ( 1.670 -7.193 0.863) 7.434 3.528 ( -0.161 2.292 1.217) 2.600 3.573 ( 3.298 -2.664 2.062) 4.714 3.615 ( 7.526 6.219 -3.981) 10.543 3.728 ( 1.289 -1.628 -1.535) 2.583 3.808 ( -2.399 4.471 -3.508) 6.169 3.838 ( 3.694 -0.765 -1.197) 3.958 3.860 ( -0.101 4.415 -2.797) 5.227 3.912 ( -4.362 2.614 -1.742) 5.375 4.030 ( -0.686 -8.098 -3.531) 8.861 4.059 ( -1.646 -3.331 0.652) 3.772 4.106 ( -9.489 2.026 -5.662) 11.234 4.157 ( -0.903 2.070 2.380) 3.281 4.340 ( -4.690 -0.341 2.871) 5.510 4.364 ( -0.882 3.958 4.195) 5.835 4.393 ( 3.161 -7.920 2.452) 8.873 4.476 ( 4.695 -6.889 1.870) 8.543 4.650 ( 0.462 3.265 -2.981) 4.445 4.672 ( -1.767 0.791 -1.892) 2.707 4.713 ( 1.336 1.631 0.929) 2.304 4.750 ( 4.180 -4.188 -0.989) 5.999 4.793 ( -1.514 5.873 1.728) 6.306 4.914 ( 4.036 -2.357 -0.415) 4.692 4.971 ( 1.498 4.700 1.079) 5.050 5.006 ( 1.115 4.226 -3.855) 5.827 5.117 ( -2.386 -0.700 1.818) 3.080 5.173 ( 1.549 -7.235 0.448) 7.413 5.289 ( -4.194 0.301 2.212) 4.751 5.306 ( -5.388 -1.172 4.212) 6.939 5.506 ( 5.218 2.038 4.039) 6.906 5.541 ( 0.770 -2.330 -5.575) 6.091 5.726 ( -5.851 2.984 -0.863) 6.624 5.802 ( -3.838 -1.507 -7.166) 8.268 5.921 ( 4.313 3.386 -0.967) 5.568 5.993 ( 0.834 0.216 -3.475) 3.580 6.073 ( -3.398 6.176 -6.444) 9.551 6.166 ( 2.101 0.217 -3.500) 4.088 6.334 ( 0.202 8.313 -9.377) 12.533 6.408 ( 0.178 -1.145 -0.532) 1.275 6.449 ( -0.910 -3.112 6.708) 7.451 6.552 ( 4.092 4.308 -2.141) 6.316 6.613 ( 0.037 -11.158 -3.234) 11.618 6.663 ( 3.761 -4.743 -0.510) 6.074 6.781 ( -5.274 -1.391 0.075) 5.455 6.825 ( -4.488 -5.020 1.723) 6.950 6.855 ( -1.465 1.356 0.547) 2.070 6.949 ( 2.277 -5.263 7.261) 9.252 7.071 ( 2.282 3.791 0.105) 4.426 7.161 ( 6.992 -4.681 3.546) 9.131 7.310 ( 7.091 3.686 -2.197) 8.288 7.364 ( 10.471 -2.558 -1.836) 10.934 7.470 ( -8.973 3.055 -8.999) 13.071 7.554 ( -7.158 -5.329 -7.795) 11.849 7.697 ( -3.705 4.581 -0.712) 5.935 7.710 ( -1.100 1.246 -0.306) 1.690 7.790 ( -4.651 3.465 -2.926) 6.496 7.846 ( 3.145 2.718 -2.765) 4.993 7.879 ( -3.321 -3.002 -1.504) 4.723 7.986 ( 0.977 -4.531 -4.133) 6.211 8.093 ( -3.756 0.926 5.627) 6.828 8.148 ( 1.190 -4.298 4.531) 6.357 8.233 ( -0.192 1.919 6.076) 6.375 8.287 ( 3.843 -3.414 3.111) 6.009 8.489 ( -5.040 -1.027 5.705) 7.681 8.534 ( -2.826 -5.384 5.363) 8.108 8.631 ( 1.040 2.039 1.134) 2.555 8.685 ( -0.311 -2.421 -1.388) 2.808 8.770 ( -0.439 2.754 0.466) 2.828 8.842 ( 4.172 -4.051 1.706) 6.060 8.957 ( -0.878 3.762 2.161) 4.426 9.042 ( -0.240 -3.677 -0.113) 3.686 9.070 ( 1.430 3.606 3.986) 5.562 9.185 ( 2.995 -7.033 7.250) 10.536 9.384 ( -4.086 3.336 -2.012) 5.645 9.467 ( -4.235 -3.611 -0.986) 5.652 9.745 ( 0.328 8.306 -6.007) 10.256 9.871 ( 3.033 -2.858 -6.687) 7.880 10.010 ( 2.591 5.787 4.454) 7.748 10.093 ( -1.953 2.489 2.151) 3.826 10.132 ( -3.364 -2.044 3.006) 4.953 10.180 ( 2.075 -4.386 3.195) 5.810 10.266 ( 1.520 5.054 3.698) 6.444 10.345 ( 1.924 -2.297 3.299) 4.457 10.502 ( 0.101 1.975 -3.296) 3.844 10.533 ( 0.215 -1.692 -1.750) 2.444 10.627 ( 4.508 2.664 -1.284) 5.392 10.681 ( 2.423 -2.042 -3.288) 4.566 10.960 ( -2.640 3.759 -2.178) 5.084 11.022 ( 1.027 -2.390 -0.963) 2.774 11.242 ( -5.251 2.784 1.248) 6.073 11.267 ( -4.650 0.871 2.197) 5.216 11.466 ( 2.410 -1.353 3.938) 4.811 11.535 ( -0.875 -7.188 2.953) 7.820 11.643 ( -0.546 1.587 -1.141) 2.029 11.697 ( 0.206 -3.370 -0.609) 3.431 11.877 ( 4.925 2.436 -4.650) 7.198 11.944 ( 2.086 -2.945 -6.853) 7.746 12.170 ( -0.842 3.951 2.095) 4.551 12.258 ( -0.343 -5.048 2.445) 5.619 12.592 ( -4.844 0.332 -8.900) 10.139 12.611 ( -8.678 -1.312 -8.653) 12.325 12.916 ( 4.419 1.450 1.721) 4.959 12.954 ( -0.120 -2.268 0.293) 2.290 13.082 ( -2.396 2.801 -0.806) 3.773 13.117 ( -0.232 -0.130 -3.488) 3.498 13.236 ( 6.737 0.366 0.235) 6.751 13.268 ( 11.207 -2.131 0.133) 11.408 13.525 ( 1.329 5.603 3.212) 6.593 13.626 ( -2.707 -3.999 -0.887) 4.910 13.940 ( 6.392 2.358 2.624) 7.301 14.012 ( 4.043 -2.729 2.006) 5.274 14.110 ( 0.353 1.460 6.239) 6.417 14.169 ( -2.741 -3.608 4.780) 6.586 14.366 ( -2.968 9.517 0.021) 9.969 14.546 ( -2.544 -6.890 -1.772) 7.556 14.890 ( 1.650 3.665 -0.533) 4.055 14.922 ( 2.199 -0.014 -3.943) 4.514 14.943 ( -2.206 1.024 -2.906) 3.790 14.990 ( -3.260 -3.124 -5.661) 7.241 15.139 ( -0.030 2.808 -1.335) 3.109 15.213 ( 2.639 -3.436 -1.839) 4.707 15.639 ( 0.718 4.429 4.933) 6.669 15.729 ( 0.290 -3.417 3.982) 5.255 16.099 ( -2.755 3.050 -0.344) 4.125 16.156 ( 4.046 -0.332 0.105) 4.061 16.363 ( 4.193 1.296 0.422) 4.409 16.378 ( -9.649 -3.177 1.611) 10.285 16.463 ( -1.246 -0.825 1.427) 2.066 16.510 ( 1.277 -3.310 0.652) 3.607 16.979 ( -2.446 2.882 2.084) 4.316 17.003 ( -1.156 0.513 1.506) 1.967 18.469 ( 0.051 0.432 1.456) 1.520 18.473 ( -0.170 0.041 1.339) 1.350 18.637 ( -0.015 1.798 0.406) 1.843 18.697 ( -0.485 -4.048 -0.406) 4.097 19.331 ( 0.064 2.475 1.427) 2.857 19.382 ( 0.447 -2.592 1.068) 2.839 19.478 ( -0.060 1.368 -1.983) 2.410 19.503 ( -0.062 -1.105 -1.622) 1.964 25.206 ( 0.278 1.386 1.065) 1.769 25.234 ( -0.892 -1.259 0.943) 1.808 25.303 ( 0.258 1.138 -1.106) 1.607 25.325 ( 0.871 -1.042 -1.106) 1.752 27.005 ( -0.350 -0.168 -1.300) 1.356 27.014 ( -0.244 -1.102 -1.255) 1.688 27.169 ( 0.200 2.662 -1.103) 2.888 27.229 ( 2.064 -2.921 -3.230) 4.819 28.154 ( -1.700 2.867 3.192) 4.615 28.191 ( -0.464 -0.559 3.556) 3.630 28.243 ( -1.011 6.253 -0.364) 6.344 28.319 ( -0.100 -1.178 -0.953) 1.519 28.450 ( 1.775 3.816 6.380) 7.643 28.519 ( 1.726 -2.547 5.646) 6.430 28.772 ( 0.151 -0.821 -0.839) 1.183 28.785 ( -1.411 -1.887 -0.219) 2.366 28.937 ( 0.204 2.993 -1.788) 3.493 28.973 ( 0.760 -0.771 -0.707) 1.293 30.040 ( -1.542 6.232 -13.641) 15.076 30.094 ( -1.553 1.556 -6.852) 7.196 30.195 ( 0.208 -2.037 -7.619) 7.890 30.210 ( 0.363 -2.977 -7.187) 7.788 30.405 ( -1.559 0.792 -0.460) 1.808 30.425 ( -4.284 -1.260 -0.571) 4.502 30.479 ( 3.361 0.465 -0.473) 3.426 30.493 ( 1.341 -0.898 -0.632) 1.733 31.108 ( 0.018 4.590 13.981) 14.715 31.264 ( 2.259 -11.703 14.482) 18.756 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 17.135 22.207 -2.936) 28.203 1.732 ( 9.910 18.219 13.008) 24.482 1.879 ( 7.368 -12.722 -3.401) 15.090 2.104 ( 7.258 -15.041 0.017) 16.700 2.435 ( 4.279 7.995 6.304) 11.044 2.523 ( -3.668 -3.650 -1.896) 5.511 2.581 ( 3.068 4.791 6.928) 8.965 2.707 ( 3.599 -6.682 7.973) 11.008 2.871 ( 3.369 9.788 1.879) 10.521 2.946 ( 1.082 0.607 3.392) 3.612 3.008 ( -5.903 4.927 2.393) 8.053 3.059 ( -5.614 1.597 -4.975) 7.670 3.185 ( -0.156 9.013 5.007) 10.312 3.306 ( -0.148 -0.575 3.140) 3.196 3.571 ( 2.460 1.370 -0.397) 2.844 3.628 ( 4.471 0.580 -2.117) 4.981 3.693 ( -4.354 7.578 -1.733) 8.910 3.777 ( 5.480 1.251 -2.597) 6.192 3.787 ( 1.536 6.701 -1.024) 6.951 3.811 ( -3.783 -1.904 -1.559) 4.513 3.840 ( 2.845 -4.096 -2.598) 5.623 3.935 ( -4.193 -5.240 -6.878) 9.609 4.028 ( 13.424 3.724 -2.813) 14.212 4.056 ( 8.080 -0.545 0.244) 8.102 4.134 ( 4.261 -1.243 4.458) 6.291 4.236 ( 3.369 -3.376 3.552) 5.947 4.296 ( 7.221 3.577 -3.830) 8.923 4.408 ( 3.793 -2.137 0.922) 4.451 4.501 ( 7.174 -0.405 -0.908) 7.242 4.593 ( -2.059 -1.951 -2.017) 3.480 4.630 ( 0.304 -1.372 0.656) 1.551 4.654 ( 3.735 -3.171 0.704) 4.949 4.743 ( -0.501 8.608 5.471) 10.212 4.791 ( 1.698 4.244 2.244) 5.092 4.838 ( 2.134 0.131 2.180) 3.054 4.953 ( -2.791 -6.800 3.706) 8.232 4.988 ( -6.660 4.287 -3.644) 8.718 5.069 ( 4.703 3.398 -2.966) 6.516 5.096 ( -0.398 -5.321 0.054) 5.336 5.150 ( 6.979 2.153 -0.038) 7.303 5.295 ( 6.561 -1.725 7.442) 10.070 5.338 ( 5.935 -2.454 4.391) 7.780 5.530 ( 1.806 2.784 -5.060) 6.052 5.594 ( 3.384 -1.844 -6.015) 7.143 5.669 ( 0.193 2.214 8.550) 8.835 5.739 ( -2.960 -3.320 1.074) 4.576 5.924 ( -4.111 4.530 -9.294) 11.127 5.979 ( -3.914 6.408 -5.515) 9.317 6.036 ( 0.452 -0.206 -5.083) 5.107 6.130 ( -5.119 -2.458 -4.379) 7.171 6.269 ( -6.049 8.813 -1.304) 10.769 6.360 ( -1.157 2.100 -4.117) 4.764 6.434 ( -2.773 -8.610 3.499) 9.699 6.515 ( -6.988 -5.679 3.651) 9.717 6.574 ( -1.808 -1.895 -5.389) 5.992 6.621 ( -3.310 -1.878 1.429) 4.065 6.677 ( -4.930 -0.770 -3.995) 6.392 6.729 ( -5.574 -4.839 -0.992) 7.448 6.849 ( -2.142 2.798 4.379) 5.621 6.944 ( -2.261 -5.618 6.616) 8.969 7.140 ( -5.441 4.204 1.760) 7.097 7.192 ( -1.956 -0.980 2.629) 3.420 7.291 ( -5.723 0.230 -2.013) 6.071 7.338 ( -5.306 -1.418 -3.915) 6.745 7.454 ( 1.856 -1.010 -1.204) 2.432 7.523 ( 1.649 -3.288 -4.441) 5.767 7.591 ( -5.277 1.523 0.053) 5.492 7.628 ( -2.804 -0.817 -1.305) 3.199 7.732 ( -2.748 1.836 -3.441) 4.771 7.785 ( -4.694 -2.985 -3.310) 6.473 7.922 ( 1.456 4.052 -0.324) 4.318 7.987 ( -0.306 -0.504 -2.581) 2.648 8.093 ( 3.853 2.527 2.898) 5.444 8.183 ( 1.938 -3.716 3.297) 5.332 8.251 ( 1.675 3.372 -0.039) 3.765 8.343 ( 1.500 -4.359 1.531) 4.858 8.433 ( -1.154 -1.410 4.797) 5.132 8.473 ( -2.780 -5.809 5.432) 8.425 8.622 ( -0.928 1.643 -1.631) 2.494 8.668 ( -1.552 -2.519 -1.957) 3.547 8.763 ( -0.039 4.750 1.071) 4.869 8.902 ( 0.853 -7.591 1.771) 7.842 8.986 ( 3.305 3.377 0.331) 4.736 9.064 ( 2.393 -3.729 -1.617) 4.717 9.118 ( 3.067 5.149 7.157) 9.335 9.255 ( 2.909 -6.976 7.190) 10.431 9.339 ( -0.643 3.398 -4.777) 5.897 9.407 ( -1.654 -3.355 -3.803) 5.334 9.767 ( 1.053 8.915 -4.805) 10.182 9.902 ( -0.859 -3.327 -4.259) 5.472 10.020 ( 0.785 2.958 3.368) 4.551 10.048 ( -3.872 4.019 2.960) 6.317 10.091 ( 0.492 -0.223 4.073) 4.108 10.187 ( -4.300 -4.958 4.765) 8.110 10.284 ( 2.703 4.661 1.036) 5.487 10.379 ( 3.188 -4.541 2.360) 6.029 10.475 ( -3.318 5.110 -0.851) 6.152 10.545 ( 0.028 -2.288 0.765) 2.413 10.679 ( -0.340 2.361 3.166) 3.964 10.699 ( -0.865 0.919 0.337) 1.307 10.886 ( -6.513 3.580 -3.866) 8.378 10.948 ( -6.057 -2.571 -3.518) 7.461 11.138 ( -4.513 2.900 -1.083) 5.472 11.165 ( -0.049 0.272 -1.057) 1.092 11.454 ( -3.666 -2.672 3.545) 5.757 11.495 ( -2.467 -5.728 0.033) 6.236 11.625 ( -0.380 3.019 -0.460) 3.078 11.699 ( 1.296 -4.417 -0.945) 4.699 11.876 ( -5.787 0.945 -3.401) 6.778 11.891 ( -3.467 -0.717 -0.835) 3.638 12.092 ( -5.950 2.554 -1.283) 6.600 12.162 ( -7.713 -4.458 0.891) 8.953 12.503 ( -2.936 1.830 -3.525) 4.939 12.548 ( -0.319 -3.054 -6.390) 7.089 12.948 ( 0.336 3.819 -0.119) 3.836 13.019 ( -0.756 -1.672 -1.415) 2.317 13.090 ( 3.449 0.509 0.481) 3.519 13.126 ( -1.167 -1.574 0.549) 2.035 13.318 ( 3.481 4.291 -2.379) 6.016 13.427 ( -2.092 -5.695 -2.309) 6.492 13.681 ( 15.034 3.948 4.047) 16.062 13.731 ( 14.512 -0.261 1.334) 14.576 13.995 ( -1.001 4.086 -1.636) 4.514 14.105 ( -3.030 -5.411 -1.447) 6.369 14.182 ( 8.448 0.584 3.931) 9.336 14.209 ( 10.717 -3.108 3.885) 11.816 14.458 ( 10.612 5.849 3.398) 12.585 14.615 ( 10.403 -8.490 2.176) 13.603 14.847 ( -1.739 3.216 -3.989) 5.411 14.913 ( -1.090 -4.051 -5.113) 6.613 14.988 ( 4.632 2.828 -1.269) 5.574 15.037 ( 4.715 -2.138 -1.198) 5.314 15.163 ( 3.420 7.758 -0.390) 8.487 15.348 ( 7.947 -9.555 -0.338) 12.433 15.641 ( -0.262 5.346 3.110) 6.191 15.736 ( -0.143 -2.541 4.612) 5.267 16.021 ( -2.911 3.038 -0.207) 4.212 16.139 ( -4.865 -6.868 -0.446) 8.428 16.387 ( 4.799 5.783 -1.903) 7.752 16.456 ( 0.724 -0.732 -0.082) 1.032 16.547 ( 9.089 -1.046 -0.831) 9.187 16.565 ( 10.878 -3.668 1.239) 11.546 16.978 ( 2.141 3.752 0.464) 4.345 17.024 ( 2.929 -0.856 0.883) 3.177 18.432 ( -3.612 1.620 0.577) 4.001 18.455 ( -1.963 -0.514 1.586) 2.576 18.591 ( -3.975 1.830 0.316) 4.387 18.636 ( -5.257 -2.575 0.502) 5.875 19.262 ( -6.985 2.357 1.146) 7.460 19.311 ( -7.920 -2.283 0.361) 8.251 19.419 ( -4.642 0.292 -1.717) 4.958 19.431 ( -6.362 -0.711 -1.658) 6.613 25.190 ( -0.566 3.829 1.104) 4.025 25.274 ( 3.536 -4.432 1.135) 5.783 25.326 ( 2.489 3.408 -1.700) 4.549 25.426 ( 7.554 -6.624 -1.640) 10.180 27.002 ( 0.316 0.942 -1.479) 1.782 27.021 ( 0.710 -0.934 -1.236) 1.704 27.168 ( -0.307 3.806 -0.981) 3.942 27.252 ( 0.335 -4.119 -2.266) 4.713 28.131 ( -0.628 3.718 3.383) 5.066 28.185 ( -0.094 -1.938 4.118) 4.552 28.255 ( 1.992 8.346 -0.155) 8.582 28.363 ( 4.314 -2.320 -1.219) 5.048 28.496 ( 2.303 5.703 7.102) 9.395 28.583 ( 4.009 -3.362 5.025) 7.254 28.813 ( 4.525 -0.638 -1.439) 4.791 28.832 ( 4.719 -2.433 -0.156) 5.312 29.004 ( 7.322 2.522 -2.787) 8.230 29.040 ( 6.564 -1.189 -0.270) 6.676 29.892 ( -15.274 10.969 -6.649) 19.946 29.961 ( -7.907 4.013 -7.303) 11.487 30.025 ( -12.355 -4.117 -3.509) 13.488 30.088 ( -7.824 -7.142 -12.782) 16.601 30.405 ( 1.751 0.789 0.155) 1.927 30.412 ( 0.176 0.199 -0.041) 0.269 30.596 ( 5.143 1.853 0.268) 5.473 30.640 ( 8.233 -2.451 0.903) 8.637 31.024 ( -7.830 5.448 10.998) 14.558 31.200 ( -7.626 -12.260 10.757) 18.005 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 17.723 15.633 -4.922) 24.139 1.927 ( 12.155 7.681 10.592) 17.859 2.012 ( 4.726 -0.645 4.802) 6.768 2.202 ( 3.434 -11.700 -3.757) 12.759 2.433 ( 1.013 2.360 -0.567) 2.630 2.455 ( -2.594 1.397 -2.262) 3.714 2.681 ( 0.208 3.605 5.524) 6.600 2.750 ( -10.477 8.490 1.977) 13.630 2.820 ( 1.247 -8.730 3.992) 9.680 2.881 ( -6.423 -2.503 1.978) 7.172 2.990 ( 0.114 5.894 1.102) 5.997 3.061 ( 6.562 -0.779 -0.105) 6.609 3.214 ( 5.883 4.106 0.485) 7.191 3.323 ( 3.811 -5.668 1.110) 6.920 3.553 ( -2.701 6.736 -3.809) 8.196 3.612 ( -3.773 7.107 -3.290) 8.693 3.706 ( -1.051 1.600 -4.044) 4.474 3.765 ( 4.176 -3.984 -5.951) 8.290 3.819 ( 6.027 1.869 -5.759) 8.543 3.872 ( 1.113 -3.137 -2.983) 4.470 3.889 ( 0.182 1.220 0.299) 1.269 3.972 ( 3.540 -3.691 2.731) 5.798 4.182 ( 1.311 5.384 -0.209) 5.545 4.228 ( 3.410 3.163 4.021) 6.148 4.259 ( 0.895 2.095 -5.006) 5.500 4.355 ( 2.379 -3.257 -0.792) 4.110 4.458 ( 6.994 4.007 -0.339) 8.067 4.554 ( 5.847 3.633 -1.458) 7.036 4.577 ( 7.437 -1.799 4.146) 8.703 4.619 ( 11.221 6.671 6.301) 14.495 4.647 ( 4.302 0.634 3.479) 5.569 4.699 ( -1.559 3.136 -2.640) 4.386 4.742 ( 0.463 7.332 7.419) 10.441 4.829 ( -1.439 -4.743 -2.761) 5.673 4.848 ( 3.002 0.296 4.136) 5.119 4.883 ( 7.447 -9.719 -3.315) 12.685 4.997 ( 5.749 1.629 1.886) 6.266 5.138 ( 8.944 -10.045 9.816) 16.651 5.173 ( 2.938 7.647 1.337) 8.300 5.318 ( 4.825 2.555 0.303) 5.468 5.394 ( 1.169 -0.639 1.847) 2.278 5.439 ( 4.072 2.002 1.885) 4.914 5.604 ( -0.459 2.684 -1.868) 3.302 5.656 ( 0.642 0.111 10.007) 10.028 5.701 ( 2.947 -0.162 -2.865) 4.113 5.742 ( 4.531 -3.290 -3.022) 6.362 5.809 ( -0.684 5.269 -2.866) 6.036 5.843 ( -9.162 -0.313 -4.989) 10.437 5.990 ( -1.825 -4.853 3.231) 6.109 6.032 ( -4.492 -7.185 0.611) 8.495 6.213 ( -3.379 2.519 -5.571) 6.985 6.297 ( -2.503 -3.215 -4.476) 6.052 6.392 ( -9.900 3.561 -1.062) 10.574 6.448 ( 3.367 -1.099 -2.488) 4.328 6.505 ( -2.583 2.374 0.734) 3.584 6.561 ( -4.276 -2.996 -0.675) 5.265 6.585 ( -2.173 -3.884 -0.686) 4.503 6.632 ( -0.144 -3.755 -2.638) 4.591 6.784 ( -1.385 5.085 2.932) 6.031 6.898 ( -3.886 -4.796 6.309) 8.826 7.016 ( -4.925 0.441 1.639) 5.209 7.077 ( -7.532 -5.715 1.022) 9.509 7.143 ( -7.839 1.320 1.141) 8.031 7.218 ( -7.474 -5.190 -0.575) 9.117 7.376 ( -10.256 5.398 -2.358) 11.827 7.477 ( -5.189 -3.766 -0.292) 6.418 7.538 ( -3.313 -0.046 -0.760) 3.399 7.566 ( -4.274 -2.430 -3.867) 6.255 7.712 ( -0.906 0.373 1.255) 1.593 7.724 ( 0.983 -1.287 2.865) 3.291 7.944 ( 1.182 4.485 -0.664) 4.685 8.008 ( 1.615 -0.648 -5.299) 5.578 8.156 ( 1.428 5.137 -0.942) 5.415 8.189 ( 1.308 2.493 0.962) 2.975 8.328 ( -0.864 -3.376 -4.429) 5.635 8.340 ( 3.749 -3.908 -3.285) 6.334 8.421 ( 0.274 0.790 3.138) 3.247 8.469 ( -0.205 -3.358 1.907) 3.867 8.610 ( 0.205 0.752 -0.810) 1.124 8.642 ( -0.178 -2.403 -2.998) 3.847 8.755 ( -0.584 4.913 3.546) 6.087 8.882 ( -1.725 -6.766 3.558) 7.837 9.054 ( 3.128 3.354 -0.587) 4.623 9.119 ( 3.012 -3.340 -2.516) 5.154 9.174 ( 1.470 4.084 5.471) 6.983 9.279 ( -0.408 -4.518 3.183) 5.542 9.313 ( -3.305 2.888 -4.826) 6.523 9.374 ( -3.322 -4.924 -5.598) 8.162 9.744 ( -2.553 6.029 0.272) 6.552 9.844 ( -2.473 -2.653 3.923) 5.342 9.970 ( -3.932 5.018 2.305) 6.779 10.089 ( 4.183 2.378 2.002) 5.212 10.101 ( -3.636 -3.185 5.743) 7.507 10.150 ( 5.285 -2.297 0.580) 5.792 10.315 ( -5.901 6.149 2.207) 8.803 10.393 ( 2.264 0.930 0.952) 2.626 10.454 ( -1.659 1.512 1.617) 2.767 10.505 ( 4.440 -5.307 0.296) 6.925 10.679 ( -0.469 1.833 1.011) 2.145 10.690 ( 1.207 -0.020 2.223) 2.529 10.775 ( -2.820 4.263 -5.810) 7.738 10.867 ( -3.272 -3.544 -7.185) 8.654 11.106 ( -0.601 3.321 0.167) 3.379 11.180 ( 0.669 -3.174 -0.393) 3.267 11.398 ( -0.971 0.975 -0.204) 1.391 11.471 ( -0.355 -5.464 -1.717) 5.738 11.648 ( 2.637 5.537 0.085) 6.134 11.695 ( -7.622 3.044 -5.049) 9.637 11.742 ( -3.144 -2.148 0.747) 3.881 11.802 ( -4.224 -4.513 6.528) 8.990 11.996 ( -2.357 0.537 -3.571) 4.313 12.045 ( -2.530 -4.098 -1.203) 4.964 12.436 ( -4.968 3.147 -0.050) 5.881 12.524 ( -3.518 -5.122 -1.333) 6.355 12.931 ( -4.086 3.066 -0.318) 5.118 12.947 ( -6.158 1.835 -1.428) 6.583 13.031 ( -1.090 1.814 1.557) 2.627 13.109 ( -0.456 -5.387 0.560) 5.435 13.404 ( 3.371 2.016 -3.697) 5.394 13.435 ( 0.073 -1.348 -2.932) 3.228 13.855 ( 1.337 4.609 -2.321) 5.331 13.920 ( 4.279 -0.409 0.669) 4.350 14.064 ( 5.717 0.306 1.866) 6.021 14.089 ( 4.787 -2.556 -1.677) 5.679 14.359 ( 10.737 1.198 1.374) 10.891 14.434 ( 9.351 -5.762 0.728) 11.007 14.665 ( 7.994 6.926 0.255) 10.580 14.831 ( 8.313 -8.742 4.411) 12.845 14.887 ( 5.629 1.432 -1.149) 5.921 14.937 ( 4.838 -4.103 -3.151) 7.083 15.074 ( 4.129 4.436 -2.106) 6.415 15.129 ( 5.022 -1.192 -2.004) 5.537 15.252 ( 4.556 9.114 6.575) 12.126 15.457 ( 2.837 -9.060 7.460) 12.074 15.653 ( 1.754 2.365 -1.770) 3.435 15.717 ( -1.826 -1.135 3.416) 4.037 15.989 ( -0.486 3.239 -0.259) 3.286 16.088 ( -0.085 -6.718 -3.640) 7.641 16.413 ( 0.317 2.809 -0.890) 2.963 16.462 ( -0.264 -2.277 -0.826) 2.437 16.721 ( 8.247 4.721 -0.303) 9.508 16.812 ( 7.840 -3.925 0.945) 8.818 17.063 ( 6.652 3.209 -1.805) 7.603 17.120 ( 7.111 -2.331 -2.475) 7.882 18.346 ( -4.583 3.461 0.099) 5.744 18.399 ( -3.531 -1.305 0.999) 3.895 18.503 ( -4.982 0.336 0.012) 4.993 18.524 ( -5.491 -1.479 1.333) 5.841 19.089 ( -9.415 1.485 0.211) 9.534 19.119 ( -9.926 -1.384 -0.921) 10.065 19.295 ( -6.574 0.862 -1.050) 6.713 19.325 ( -4.642 -2.166 -1.365) 5.301 25.194 ( 0.680 6.132 1.499) 6.349 25.346 ( 3.463 -8.765 1.691) 9.575 25.382 ( 2.886 6.088 -2.519) 7.193 25.571 ( 6.577 -12.990 -2.931) 14.852 27.015 ( 0.960 2.398 -1.548) 3.011 27.037 ( 0.936 0.280 -1.738) 1.994 27.156 ( -0.790 3.954 -0.186) 4.037 27.242 ( -1.216 -3.829 -1.339) 4.235 28.136 ( 1.057 3.946 3.986) 5.707 28.195 ( 0.820 -2.245 5.525) 6.020 28.302 ( 2.203 10.761 0.581) 10.999 28.454 ( 3.940 -3.322 -1.036) 5.257 28.540 ( 2.290 7.946 5.364) 9.857 28.660 ( 3.354 -4.617 3.624) 6.760 28.933 ( 7.142 -0.296 -1.290) 7.264 28.948 ( 7.535 -1.682 -1.537) 7.872 29.196 ( 10.632 2.848 -3.390) 11.518 29.238 ( 13.091 -1.950 -0.495) 13.245 29.602 ( -11.732 8.465 0.339) 14.471 29.715 ( -14.702 -2.955 -3.312) 15.358 29.826 ( -8.565 2.373 -6.697) 11.129 29.933 ( -7.688 -7.050 -9.561) 14.150 30.359 ( -6.342 2.506 1.428) 6.967 30.401 ( -4.324 -1.478 1.286) 4.747 30.627 ( -1.758 4.117 5.106) 6.790 30.724 ( -0.093 -5.285 5.988) 7.987 30.924 ( -0.244 5.346 -0.360) 5.363 31.075 ( -3.611 -9.599 2.561) 10.571 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 2.148 11.039 -0.354) 11.252 2.121 ( 6.168 4.488 0.765) 7.666 2.146 ( -2.142 1.227 -3.750) 4.490 2.244 ( 7.665 -7.725 4.252) 11.684 2.455 ( 3.619 7.332 -2.050) 8.430 2.518 ( 5.900 6.466 7.354) 11.432 2.567 ( -4.582 0.329 -0.401) 4.611 2.697 ( 1.408 -1.221 4.966) 5.304 2.724 ( -8.248 -2.614 2.022) 8.885 2.790 ( -4.810 -3.435 3.388) 6.813 3.001 ( 1.380 4.451 2.253) 5.176 3.082 ( -1.141 -2.473 3.764) 4.646 3.382 ( 6.652 5.744 -4.496) 9.872 3.477 ( 5.463 -2.083 -5.045) 7.723 3.504 ( 0.441 4.707 -4.078) 6.243 3.571 ( 0.290 -0.438 -5.259) 5.286 3.730 ( 2.467 0.373 -1.296) 2.812 3.797 ( 0.271 -4.691 -4.175) 6.286 3.856 ( 0.259 2.344 -4.012) 4.654 3.888 ( 2.491 5.137 -1.337) 5.863 3.965 ( 1.127 -3.121 -5.964) 6.825 3.988 ( 0.062 -1.094 -0.544) 1.224 4.120 ( -2.806 1.038 2.463) 3.875 4.164 ( -3.861 -1.516 -1.662) 4.468 4.280 ( -0.302 2.122 1.800) 2.799 4.324 ( -1.887 -0.273 1.909) 2.698 4.506 ( -0.990 5.645 1.655) 5.965 4.556 ( -5.246 5.030 -0.228) 7.271 4.612 ( -1.879 -1.707 0.397) 2.569 4.636 ( -2.506 -0.385 1.424) 2.908 4.750 ( 8.008 8.585 -1.621) 11.851 4.769 ( 1.835 1.925 -1.589) 3.098 4.842 ( 8.318 5.448 2.100) 10.163 4.938 ( 4.961 -7.692 2.917) 9.607 5.030 ( 2.505 1.127 -2.190) 3.513 5.069 ( 5.313 1.948 -0.778) 5.712 5.123 ( 2.939 0.182 4.924) 5.738 5.199 ( 2.704 2.324 3.373) 4.908 5.274 ( 0.974 0.003 4.159) 4.272 5.333 ( 3.126 -5.803 2.833) 7.174 5.387 ( -3.085 6.980 4.137) 8.681 5.487 ( 8.870 8.555 0.828) 12.351 5.584 ( -0.628 -1.478 0.921) 1.851 5.648 ( -8.750 -10.237 0.008) 13.467 5.670 ( -0.880 -6.553 1.762) 6.843 5.742 ( 0.282 -0.485 -1.933) 2.013 5.764 ( -8.761 4.021 1.158) 9.709 5.865 ( -3.624 -6.648 1.547) 7.728 5.922 ( 6.575 1.622 4.067) 7.899 6.045 ( -0.181 -5.942 3.324) 6.811 6.196 ( 1.752 1.496 -5.247) 5.730 6.245 ( 0.392 2.661 -5.062) 5.732 6.325 ( 3.546 -0.636 2.951) 4.657 6.400 ( 1.462 -5.088 -0.582) 5.326 6.472 ( -3.353 -0.949 -0.053) 3.485 6.516 ( -2.381 -5.839 4.491) 7.742 6.649 ( 5.669 6.440 -2.328) 8.890 6.710 ( 2.820 0.469 0.852) 2.983 6.787 ( 0.856 3.525 -0.616) 3.680 6.849 ( 3.945 -2.436 2.553) 5.293 6.927 ( -3.571 2.761 4.121) 6.112 6.989 ( 1.047 -4.030 2.090) 4.659 7.025 ( -7.516 -3.539 -0.478) 8.321 7.065 ( -5.906 -7.401 -1.355) 9.565 7.246 ( -0.778 4.187 3.487) 5.504 7.348 ( -5.691 -5.013 3.303) 8.272 7.440 ( -4.255 0.911 -1.376) 4.564 7.481 ( -2.247 -2.625 -0.951) 3.584 7.680 ( -2.835 3.628 -0.894) 4.690 7.755 ( -0.320 -3.714 2.852) 4.694 7.960 ( 0.331 4.375 -5.336) 6.908 7.987 ( -3.643 2.597 -6.846) 8.179 8.165 ( -2.699 0.824 -2.326) 3.657 8.230 ( 3.360 -3.117 -5.873) 7.449 8.338 ( -0.179 -1.751 -1.168) 2.113 8.345 ( 0.492 -2.159 -4.208) 4.755 8.406 ( -2.274 3.270 -3.548) 5.334 8.463 ( 0.779 -0.303 -2.684) 2.811 8.641 ( 1.439 0.638 -0.078) 1.576 8.647 ( 1.287 -0.970 -0.813) 1.805 8.791 ( 4.004 3.482 8.106) 9.689 8.879 ( 0.831 -5.191 5.431) 7.558 9.102 ( 1.908 2.923 -0.725) 3.565 9.158 ( -0.299 -0.875 0.962) 1.335 9.177 ( 0.068 0.020 -0.525) 0.529 9.221 ( -4.437 -0.078 -0.750) 4.501 9.255 ( -1.447 -2.253 -1.067) 2.882 9.266 ( -4.276 -1.629 -4.585) 6.478 9.726 ( 0.230 3.488 2.736) 4.439 9.815 ( -2.002 -5.602 3.974) 7.154 9.907 ( -2.186 6.488 3.088) 7.510 10.015 ( -4.201 -2.964 2.722) 5.818 10.164 ( 2.397 5.133 3.958) 6.911 10.204 ( -1.145 1.616 5.583) 5.924 10.301 ( 4.983 -0.317 -2.313) 5.503 10.348 ( -1.492 -2.147 -1.196) 2.875 10.535 ( 2.046 4.183 -1.368) 4.854 10.606 ( 3.782 -3.613 -0.046) 5.230 10.687 ( -1.093 0.616 -1.482) 1.941 10.700 ( 3.760 -0.664 -2.123) 4.369 10.776 ( 2.712 2.264 -4.965) 6.094 10.795 ( -3.221 -0.032 -4.510) 5.542 11.111 ( 0.907 -0.671 2.257) 2.523 11.176 ( -0.670 -5.960 1.619) 6.212 11.374 ( -4.381 2.506 -2.376) 5.579 11.446 ( -2.981 -4.546 -3.029) 6.223 11.545 ( -1.917 6.283 -4.077) 7.732 11.656 ( -3.158 -3.206 2.672) 5.234 11.709 ( 1.577 2.580 1.972) 3.610 11.762 ( -2.604 -1.432 6.389) 7.046 12.027 ( 5.656 2.970 -2.251) 6.773 12.068 ( 2.577 0.923 -4.117) 4.944 12.338 ( -2.545 -2.088 4.039) 5.211 12.404 ( -6.496 -5.825 3.448) 9.381 12.835 ( -3.556 3.609 -3.337) 6.067 12.868 ( -2.181 0.458 -5.838) 6.249 13.059 ( 1.436 0.813 2.433) 2.940 13.117 ( 1.087 -4.437 2.005) 4.989 13.395 ( -2.215 2.110 -3.377) 4.556 13.423 ( -0.736 -0.048 -4.748) 4.805 13.894 ( 2.169 2.009 -0.410) 2.985 13.934 ( -0.567 -1.539 -0.632) 1.758 14.128 ( 0.656 -0.211 -1.905) 2.026 14.143 ( -0.379 -0.911 -1.771) 2.027 14.548 ( 5.861 -0.155 1.755) 6.120 14.576 ( 5.038 -3.267 0.795) 6.057 14.769 ( 3.594 4.920 0.126) 6.094 14.894 ( 0.279 -6.617 -0.439) 6.637 14.995 ( 2.681 1.390 0.322) 3.037 15.039 ( 2.584 -3.533 1.004) 4.491 15.146 ( 2.636 4.512 -2.716) 5.889 15.208 ( 2.410 -1.538 -2.625) 3.882 15.330 ( 3.038 9.010 8.771) 12.936 15.486 ( 0.557 -3.754 8.949) 9.720 15.661 ( -2.073 1.673 1.109) 2.885 15.715 ( 2.384 -4.518 1.693) 5.381 15.998 ( 0.779 4.545 -0.410) 4.630 16.103 ( 0.848 -6.933 -3.352) 7.747 16.426 ( 0.952 1.492 -2.713) 3.239 16.467 ( 1.150 -2.766 -2.497) 3.900 16.806 ( 0.550 4.385 2.897) 5.284 16.860 ( -0.996 -0.518 2.505) 2.745 17.191 ( 5.413 3.540 -2.584) 6.965 17.258 ( 5.348 -3.099 -3.269) 6.992 18.277 ( -2.221 4.098 0.848) 4.738 18.330 ( -3.189 -0.564 0.024) 3.239 18.417 ( -3.120 0.346 0.771) 3.232 18.447 ( -1.599 -2.136 -1.406) 3.016 18.951 ( -3.724 1.516 -0.360) 4.036 18.984 ( -3.026 -1.664 -1.322) 3.698 19.199 ( -2.805 1.647 -0.079) 3.253 19.254 ( -2.287 -3.720 -1.421) 4.592 25.209 ( 0.541 7.148 1.902) 7.416 25.399 ( 1.527 -11.748 2.216) 12.052 25.422 ( 1.161 8.010 -3.088) 8.663 25.658 ( 2.287 -15.950 -3.696) 16.531 27.031 ( 0.659 3.980 -1.720) 4.385 27.058 ( 1.335 0.822 -2.342) 2.818 27.139 ( -0.984 3.241 0.677) 3.454 27.210 ( -1.864 -3.063 -1.065) 3.741 28.171 ( 2.087 3.130 5.399) 6.580 28.218 ( 1.079 -1.990 7.127) 7.477 28.324 ( -0.088 12.076 1.089) 12.125 28.487 ( -0.097 -1.062 -1.191) 1.598 28.601 ( 2.949 6.978 3.200) 8.224 28.701 ( 0.031 -2.724 2.381) 3.618 29.053 ( 3.586 2.305 -3.339) 5.415 29.109 ( 7.286 -3.393 -3.197) 8.650 29.301 ( 1.541 5.743 -3.736) 7.022 29.417 ( -3.790 -5.132 -2.060) 6.704 29.511 ( -0.225 -0.403 -3.076) 3.110 29.522 ( -0.807 -1.350 -0.502) 1.651 29.731 ( 4.901 3.733 1.721) 6.397 29.830 ( 0.616 -5.826 -0.873) 5.923 30.175 ( -10.912 2.100 1.247) 11.182 30.225 ( -11.148 -2.703 0.977) 11.512 30.612 ( 0.207 4.538 4.370) 6.303 30.715 ( -0.109 -5.552 3.688) 6.666 30.951 ( 1.170 3.610 -2.782) 4.705 31.050 ( -0.360 -6.148 -1.779) 6.411 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -11.226 7.250 -0.366) 13.368 2.020 ( -11.776 -1.089 -2.583) 12.105 2.212 ( 1.448 5.786 1.229) 6.089 2.356 ( 0.871 -7.558 -0.094) 7.609 2.454 ( -3.500 10.221 5.443) 12.097 2.506 ( 2.816 6.188 2.452) 7.227 2.599 ( -3.092 -1.323 -1.774) 3.803 2.686 ( 9.694 -3.870 4.493) 11.364 2.749 ( 2.744 2.684 5.056) 6.347 2.790 ( 3.174 -3.237 3.340) 5.631 3.032 ( 1.175 2.621 2.905) 4.085 3.060 ( -0.789 1.299 2.042) 2.546 3.406 ( -2.891 5.549 -5.328) 8.218 3.435 ( -6.143 3.527 -7.457) 10.285 3.546 ( 0.518 1.096 -2.369) 2.661 3.606 ( 2.075 -4.458 -0.055) 4.918 3.730 ( -5.898 5.865 2.117) 8.583 3.811 ( -3.718 -1.391 -4.029) 5.656 3.847 ( 7.338 1.447 -11.203) 13.471 3.956 ( 4.151 -4.125 -3.233) 6.686 3.982 ( 3.975 2.991 0.064) 4.976 4.038 ( 3.214 -1.555 2.655) 4.449 4.085 ( -5.794 0.712 -5.233) 7.840 4.109 ( -4.695 -3.134 -2.210) 6.062 4.261 ( 1.997 1.257 4.584) 5.156 4.324 ( 4.622 -3.734 4.223) 7.289 4.453 ( -6.854 3.651 -8.876) 11.794 4.490 ( -2.814 0.225 -2.687) 3.898 4.550 ( 0.324 8.927 1.889) 9.131 4.656 ( -3.494 -0.114 2.168) 4.113 4.721 ( -10.515 0.428 3.166) 10.989 4.756 ( 0.633 -5.181 -1.832) 5.532 4.864 ( -1.086 7.479 3.739) 8.432 4.944 ( -4.512 -0.090 3.747) 5.866 5.018 ( -4.244 6.438 1.217) 7.807 5.040 ( -3.820 10.879 4.260) 12.292 5.146 ( 1.474 -4.191 2.361) 5.031 5.230 ( -7.938 -0.432 -0.333) 7.957 5.313 ( 2.615 5.184 0.720) 5.850 5.368 ( -0.090 -1.515 3.266) 3.601 5.382 ( -2.962 -4.948 2.914) 6.461 5.446 ( -10.013 4.439 -2.473) 11.229 5.494 ( -1.140 -3.013 4.989) 5.939 5.525 ( -2.919 0.466 0.902) 3.090 5.647 ( 3.145 -6.267 -3.463) 7.820 5.667 ( -1.174 -7.774 0.274) 7.867 5.848 ( 6.495 2.059 0.526) 6.833 5.891 ( 6.488 -5.878 -1.627) 8.904 5.956 ( 0.658 -0.658 2.369) 2.545 6.075 ( 0.229 -7.387 4.238) 8.519 6.183 ( -0.670 4.446 -2.456) 5.124 6.256 ( -0.104 3.705 -2.442) 4.438 6.302 ( -4.747 0.999 1.700) 5.140 6.429 ( -1.660 -4.439 -0.338) 4.751 6.524 ( 0.087 -1.953 -0.743) 2.091 6.540 ( 8.467 -2.671 3.589) 9.576 6.690 ( 0.246 4.276 4.007) 5.865 6.766 ( -3.792 3.123 0.473) 4.935 6.795 ( 3.045 -2.752 1.149) 4.262 6.862 ( -0.706 -1.952 3.851) 4.374 6.948 ( 2.074 3.157 1.142) 3.946 7.012 ( 5.082 -1.016 -0.913) 5.263 7.039 ( 6.721 -2.316 1.639) 7.296 7.064 ( 3.097 -6.226 -0.379) 6.964 7.337 ( 7.333 3.774 6.556) 10.535 7.377 ( 10.050 0.535 2.815) 10.451 7.450 ( 6.023 -2.572 4.311) 7.841 7.495 ( -0.751 -4.863 -3.104) 5.817 7.613 ( 0.881 2.674 -0.458) 2.852 7.687 ( -5.474 -4.270 -2.195) 7.281 7.878 ( -4.568 6.071 -6.411) 9.942 7.958 ( -0.493 0.040 -7.602) 7.618 8.112 ( -1.232 1.440 -3.874) 4.313 8.232 ( -0.575 -8.291 -6.243) 10.395 8.336 ( 0.971 3.620 -1.856) 4.182 8.388 ( 1.055 3.452 -3.648) 5.132 8.412 ( 2.383 -3.374 -1.843) 4.523 8.458 ( -1.070 -1.958 -2.878) 3.642 8.661 ( 0.194 2.906 0.181) 2.918 8.681 ( 2.418 1.330 0.873) 2.895 8.855 ( 0.584 -0.457 6.012) 6.058 8.869 ( -1.593 -1.998 4.759) 5.402 9.102 ( -3.778 0.833 1.621) 4.195 9.132 ( -0.086 0.980 1.590) 1.870 9.152 ( -2.372 -2.208 -0.957) 3.379 9.182 ( -0.139 -2.312 -1.331) 2.672 9.301 ( 7.635 1.055 -2.784) 8.195 9.318 ( 8.848 -0.155 -3.400) 9.480 9.719 ( -1.925 1.273 2.855) 3.671 9.756 ( -3.443 -3.349 2.466) 5.399 9.889 ( 0.587 3.934 2.462) 4.678 9.965 ( -0.762 -3.344 3.422) 4.845 10.189 ( -0.131 3.298 4.227) 5.363 10.210 ( 1.653 2.569 4.547) 5.477 10.272 ( -4.824 3.810 -2.172) 6.520 10.400 ( 1.989 -5.964 -0.802) 6.338 10.485 ( -4.165 5.361 -2.062) 7.095 10.599 ( -4.279 -6.006 -0.194) 7.377 10.663 ( -1.743 4.594 -1.307) 5.084 10.728 ( -2.699 -2.700 -0.145) 3.821 10.828 ( 7.008 3.268 -4.403) 8.898 10.891 ( 7.809 -1.171 -5.354) 9.540 11.123 ( 0.682 0.802 2.608) 2.812 11.188 ( 1.903 -4.272 2.274) 5.200 11.246 ( -4.808 3.879 -3.367) 7.035 11.372 ( -3.416 -5.603 -5.985) 8.882 11.586 ( -1.086 1.524 1.035) 2.139 11.616 ( 0.386 -1.413 3.642) 3.925 11.701 ( -1.612 0.983 2.847) 3.416 11.744 ( 2.262 -1.690 -2.074) 3.503 12.069 ( -0.523 4.601 -2.061) 5.069 12.133 ( 1.533 -0.374 -0.992) 1.864 12.358 ( 8.220 3.017 7.490) 11.523 12.472 ( 11.301 -6.243 5.556) 14.056 12.788 ( -1.423 3.346 -6.080) 7.084 12.834 ( -1.141 -1.456 -7.720) 7.939 13.061 ( -0.749 2.421 2.696) 3.700 13.144 ( 1.152 -5.255 2.381) 5.883 13.387 ( 0.990 1.403 -4.247) 4.581 13.405 ( -0.224 0.046 -5.433) 5.438 13.873 ( -6.420 1.346 -1.554) 6.741 13.893 ( -3.679 -0.034 0.632) 3.733 14.100 ( -2.494 0.420 -2.103) 3.289 14.141 ( 1.186 -3.456 -2.386) 4.364 14.549 ( -5.271 1.092 1.810) 5.679 14.595 ( -3.969 -3.912 1.294) 5.721 14.812 ( 0.802 2.473 0.968) 2.775 14.864 ( -3.146 -2.523 -1.814) 4.422 14.963 ( -6.452 1.072 -1.978) 6.833 14.999 ( -5.946 -2.448 3.321) 7.237 15.159 ( -0.719 3.144 -1.768) 3.678 15.220 ( -1.014 -2.041 -2.130) 3.119 15.367 ( 0.396 6.447 6.646) 9.268 15.475 ( -3.430 -3.157 8.670) 9.844 15.634 ( -0.347 5.767 1.330) 5.929 15.749 ( 0.448 -6.208 2.913) 6.872 16.000 ( -0.195 4.310 -0.662) 4.365 16.103 ( -0.497 -6.313 -3.550) 7.260 16.435 ( -0.203 1.967 -3.297) 3.845 16.482 ( -0.380 -3.202 -1.652) 3.623 16.775 ( -3.208 3.117 1.468) 4.708 16.828 ( -1.926 -0.873 2.505) 3.279 17.251 ( 0.657 3.081 -1.915) 3.686 17.288 ( -2.294 -1.068 -1.659) 3.026 18.270 ( 1.949 1.936 0.681) 2.830 18.300 ( 0.793 -0.876 -1.019) 1.560 18.408 ( 2.136 2.676 0.456) 3.454 18.467 ( 3.036 -2.909 -0.393) 4.223 18.961 ( 4.595 2.461 -0.203) 5.217 19.007 ( 5.032 -1.937 -0.785) 5.448 19.197 ( 2.658 0.923 -0.009) 2.813 19.244 ( 1.424 -3.795 -1.840) 4.451 25.212 ( -0.310 7.108 2.063) 7.408 25.401 ( -1.316 -9.593 1.706) 9.832 25.420 ( -1.332 5.560 -2.528) 6.251 25.652 ( -2.760 -15.729 -3.980) 16.458 27.036 ( -0.142 5.163 -2.021) 5.547 27.085 ( 1.421 0.218 -2.702) 3.060 27.119 ( -0.996 2.411 1.022) 2.802 27.176 ( -1.283 -2.554 -1.002) 3.029 28.208 ( 0.996 1.373 6.669) 6.881 28.235 ( 0.240 -1.453 7.770) 7.908 28.314 ( -0.362 12.769 1.107) 12.822 28.465 ( -2.051 2.504 -2.600) 4.152 28.612 ( -2.577 1.758 4.381) 5.378 28.657 ( -3.848 -0.338 0.225) 3.869 29.038 ( -3.696 1.588 -4.775) 6.243 29.101 ( -6.656 -3.691 -1.655) 7.789 29.354 ( -5.717 1.409 -2.179) 6.279 29.371 ( -6.654 0.001 -5.181) 8.433 29.435 ( 7.227 3.359 -0.580) 7.990 29.527 ( 6.504 -5.227 -1.147) 8.422 29.958 ( 2.458 1.107 3.309) 4.269 29.985 ( 13.668 -0.961 5.911) 14.922 30.043 ( 1.980 0.596 -4.272) 4.746 30.093 ( 3.575 -3.867 -1.341) 5.434 30.624 ( 1.015 4.384 4.830) 6.602 30.726 ( 1.215 -5.569 4.053) 6.994 30.942 ( -2.036 3.264 -3.119) 4.953 31.028 ( -1.937 -5.218 -2.553) 6.124 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -19.516 9.505 1.399) 21.753 1.777 ( -9.210 -6.316 -3.113) 11.593 2.049 ( -17.484 9.101 4.244) 20.162 2.252 ( -8.132 -9.675 -0.104) 12.640 2.520 ( 8.101 12.137 4.130) 15.166 2.636 ( 3.659 6.462 -2.371) 7.796 2.648 ( 6.408 1.123 4.797) 8.083 2.745 ( 0.890 -1.223 4.762) 4.996 2.838 ( 4.306 2.959 1.517) 5.441 2.927 ( 10.343 -6.477 0.243) 12.206 2.991 ( -4.771 3.770 5.675) 8.317 3.066 ( -1.365 0.770 -0.016) 1.567 3.273 ( -8.114 0.397 -4.220) 9.155 3.292 ( -8.515 -0.149 -5.952) 10.390 3.473 ( -7.660 7.633 -2.858) 11.185 3.565 ( -0.820 -1.870 -0.662) 2.147 3.746 ( 3.168 3.724 -1.899) 5.245 3.760 ( -1.879 1.527 2.502) 3.481 3.851 ( -9.841 0.557 1.401) 9.956 3.891 ( -9.530 -0.818 -1.427) 9.670 3.977 ( 0.398 1.939 -9.269) 9.478 4.030 ( -0.653 -4.492 -2.268) 5.075 4.105 ( 4.276 3.801 3.917) 6.934 4.129 ( 1.581 1.225 2.707) 3.365 4.176 ( -7.784 3.674 -7.287) 11.278 4.284 ( -7.041 -0.678 -0.405) 7.085 4.420 ( -2.672 0.838 0.179) 2.806 4.447 ( 1.010 -0.298 -1.941) 2.208 4.475 ( -1.609 2.512 -1.794) 3.481 4.641 ( -1.769 -7.605 0.685) 7.839 4.685 ( -3.724 2.560 -0.607) 4.559 4.714 ( 2.736 2.565 2.504) 4.509 4.807 ( -5.537 -1.426 3.956) 6.953 4.854 ( 2.077 -6.525 0.375) 6.858 4.948 ( -4.401 1.865 10.247) 11.307 4.989 ( -9.845 -3.340 3.424) 10.946 5.025 ( 3.762 10.077 3.685) 11.370 5.146 ( -8.578 4.196 3.707) 10.244 5.192 ( -7.413 1.461 -0.321) 7.562 5.210 ( -8.309 -4.767 4.600) 10.627 5.363 ( -1.275 4.577 2.362) 5.306 5.411 ( 3.034 4.798 -3.433) 6.634 5.454 ( -3.893 2.189 -0.920) 4.560 5.584 ( -2.826 -11.251 2.692) 11.909 5.691 ( 6.145 -1.177 -5.044) 8.036 5.738 ( 2.530 -4.851 -4.281) 6.946 5.884 ( -0.489 6.229 2.583) 6.762 5.924 ( 0.988 0.027 0.046) 0.989 6.034 ( 2.178 -2.973 2.430) 4.415 6.075 ( 4.573 1.356 0.452) 4.791 6.229 ( 0.915 3.149 -4.335) 5.435 6.253 ( 4.715 3.041 -2.183) 6.020 6.340 ( 6.940 -6.037 -3.588) 9.874 6.422 ( 0.629 -7.461 -4.608) 8.791 6.502 ( -0.359 3.369 -0.561) 3.435 6.610 ( -3.223 -1.390 3.050) 4.650 6.670 ( 5.187 -0.146 2.112) 5.603 6.758 ( 1.612 -0.030 5.730) 5.953 6.836 ( 0.292 0.735 0.083) 0.795 6.927 ( 6.760 -0.332 2.101) 7.087 6.976 ( 1.923 -3.289 -1.268) 4.015 7.045 ( 0.010 -6.535 3.364) 7.350 7.110 ( -0.433 4.049 -3.793) 5.565 7.204 ( 1.709 -2.605 -1.624) 3.513 7.373 ( 1.223 0.459 -0.561) 1.422 7.451 ( 6.181 -4.556 -1.125) 7.760 7.590 ( 5.850 0.811 -1.052) 5.999 7.616 ( 10.201 -0.161 3.195) 10.691 7.732 ( 6.267 3.116 0.628) 7.027 7.761 ( 8.318 -0.202 4.145) 9.295 7.834 ( 1.628 4.772 -0.334) 5.053 7.963 ( 1.925 -5.056 -4.774) 7.215 8.146 ( 4.425 2.338 -2.042) 5.405 8.239 ( 0.443 -5.080 -3.281) 6.064 8.301 ( -6.367 2.118 -1.270) 6.829 8.340 ( -5.126 -0.568 1.366) 5.335 8.449 ( 2.969 0.433 -0.743) 3.091 8.493 ( 4.707 -2.996 -1.412) 5.755 8.660 ( -0.361 4.430 -1.385) 4.655 8.735 ( 2.745 -0.276 0.615) 2.827 8.800 ( -4.777 -1.686 1.783) 5.371 8.841 ( -3.556 -3.055 1.417) 4.897 9.044 ( -1.619 0.810 4.550) 4.897 9.096 ( -2.249 -3.399 -0.842) 4.162 9.115 ( -2.858 2.441 1.428) 4.021 9.164 ( -1.604 -2.482 0.152) 2.959 9.477 ( 7.649 2.485 -3.269) 8.682 9.519 ( 7.650 -1.783 -5.711) 9.712 9.647 ( -1.366 4.277 2.631) 5.203 9.743 ( 1.832 -4.467 2.951) 5.658 9.949 ( 5.110 3.446 2.598) 6.689 10.011 ( 4.817 -2.734 3.629) 6.622 10.117 ( -5.613 2.391 -0.651) 6.135 10.150 ( -4.713 -0.170 3.236) 5.720 10.311 ( 5.974 5.737 1.520) 8.421 10.378 ( -3.596 0.839 -0.274) 3.703 10.433 ( -2.362 -0.617 0.664) 2.530 10.485 ( -5.930 -5.283 2.199) 8.241 10.613 ( -2.878 3.651 -1.877) 5.014 10.664 ( -2.496 -1.837 0.356) 3.120 10.932 ( 2.530 5.875 -0.068) 6.397 11.019 ( 5.375 -1.924 -1.289) 5.853 11.153 ( 2.319 3.213 0.488) 3.992 11.242 ( 2.501 -4.030 -4.242) 6.364 11.272 ( 6.041 1.824 -4.686) 7.860 11.336 ( 2.723 -0.691 -4.999) 5.734 11.548 ( 0.743 -0.503 1.080) 1.404 11.592 ( -1.974 -5.641 4.574) 7.526 11.734 ( 2.611 1.293 -1.212) 3.156 11.794 ( 2.248 -3.424 -1.968) 4.544 12.083 ( 1.729 2.868 0.354) 3.368 12.143 ( 1.437 -2.347 1.532) 3.150 12.602 ( 11.224 8.588 7.501) 16.000 12.721 ( 11.320 -2.380 5.046) 12.620 12.776 ( 1.870 2.865 -9.607) 10.198 12.836 ( 3.055 -3.205 -6.673) 8.008 13.060 ( 1.050 3.080 3.531) 4.802 13.153 ( -0.491 -5.477 1.267) 5.643 13.386 ( -1.880 0.216 -6.191) 6.474 13.393 ( -1.728 -0.089 -5.738) 5.993 13.689 ( -11.727 1.004 -0.905) 11.804 13.728 ( -12.100 -2.163 -1.582) 12.393 14.068 ( -1.658 2.919 0.573) 3.406 14.148 ( -1.533 -4.715 -0.832) 5.027 14.377 ( -10.827 1.651 2.006) 11.134 14.447 ( -9.782 -5.361 0.950) 11.195 14.720 ( -11.803 3.484 -1.416) 12.387 14.762 ( -10.881 -0.275 -0.071) 10.885 14.832 ( 0.185 1.656 -1.088) 1.990 14.900 ( -2.512 -4.027 2.540) 5.383 15.121 ( -3.196 2.451 -0.661) 4.081 15.165 ( -4.483 -0.339 -0.481) 4.521 15.352 ( -3.444 -0.332 3.777) 5.122 15.356 ( -7.258 1.242 4.001) 8.380 15.621 ( -1.097 5.042 1.793) 5.463 15.741 ( -0.956 -4.317 1.674) 4.728 16.008 ( 1.068 3.017 -0.072) 3.202 16.102 ( 1.049 -5.168 -2.942) 6.039 16.419 ( -1.098 3.175 -1.408) 3.642 16.465 ( -0.303 -2.421 -0.215) 2.449 16.680 ( -6.780 2.414 -0.863) 7.248 16.771 ( -4.926 -4.469 0.273) 6.657 17.187 ( -6.997 2.273 -0.079) 7.358 17.211 ( -4.811 0.361 -0.195) 4.828 18.349 ( 5.444 0.387 -0.071) 5.458 18.366 ( 4.942 -1.075 0.408) 5.074 18.479 ( 4.798 2.777 0.330) 5.553 18.547 ( 4.996 -4.187 1.176) 6.624 19.102 ( 8.841 2.810 0.515) 9.291 19.151 ( 8.844 -1.971 0.067) 9.061 19.294 ( 6.748 -0.320 -1.034) 6.835 19.306 ( 4.913 -1.666 -2.279) 5.666 25.202 ( -0.693 6.052 1.863) 6.370 25.356 ( -3.200 -8.253 1.873) 9.048 25.371 ( -3.208 4.925 -2.607) 6.429 25.554 ( -6.777 -12.455 -3.612) 14.632 27.025 ( -0.758 4.263 -1.805) 4.691 27.078 ( -1.872 -0.538 -0.972) 2.176 27.129 ( 1.766 1.599 -1.466) 2.798 27.166 ( 0.297 -1.797 -1.148) 2.153 28.208 ( -1.033 2.212 4.534) 5.150 28.231 ( -0.994 -0.841 6.876) 6.998 28.316 ( -0.106 9.937 3.555) 10.555 28.402 ( -3.702 6.177 -2.915) 7.769 28.545 ( -4.929 -2.367 3.468) 6.475 28.561 ( -4.162 -3.993 0.943) 5.844 28.937 ( -6.249 1.191 -1.320) 6.497 28.974 ( -5.378 -1.498 0.260) 5.589 29.156 ( -10.946 1.277 -2.848) 11.382 29.178 ( -10.733 -0.676 -3.305) 11.251 29.659 ( 13.882 5.591 1.386) 15.029 29.762 ( 14.055 -4.817 -1.791) 14.965 29.971 ( 2.812 4.806 -8.811) 10.423 30.067 ( 4.352 -4.030 -12.991) 14.281 30.260 ( 9.321 0.196 5.112) 10.633 30.287 ( 8.471 -2.031 4.412) 9.764 30.669 ( 2.675 4.036 6.690) 8.259 30.766 ( 0.714 -5.532 7.261) 9.156 30.889 ( -0.698 3.881 -2.573) 4.709 30.992 ( 0.110 -6.107 0.625) 6.140 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -10.400 21.426 0.121) 23.817 1.632 ( -10.586 14.054 2.837) 17.822 1.741 ( -5.703 -12.259 -3.837) 14.055 2.057 ( -10.032 -17.480 3.319) 20.426 2.508 ( -9.772 15.982 13.880) 23.314 2.669 ( -2.780 -2.698 5.411) 6.655 2.738 ( -0.730 3.075 3.467) 4.691 2.806 ( -6.960 -2.564 2.456) 7.813 2.831 ( 3.900 9.182 -2.420) 10.265 2.877 ( -2.881 5.193 1.659) 6.166 2.989 ( 2.453 5.628 -3.202) 6.924 3.102 ( -0.059 -0.072 -2.128) 2.130 3.200 ( 0.137 2.286 2.664) 3.514 3.219 ( 6.396 -2.313 4.205) 7.996 3.463 ( 5.698 10.174 -7.482) 13.855 3.564 ( -0.105 -2.039 0.188) 2.050 3.585 ( -7.296 3.132 7.021) 10.599 3.699 ( -3.333 -5.023 2.661) 6.590 3.807 ( 1.363 2.076 -0.082) 2.485 3.832 ( -0.760 1.345 -3.982) 4.271 3.899 ( -4.567 4.799 -5.458) 8.584 3.971 ( -1.271 0.288 -0.941) 1.608 4.060 ( -2.145 -1.473 -6.498) 6.999 4.144 ( -4.517 -5.358 -4.286) 8.215 4.183 ( -0.891 1.625 6.191) 6.462 4.256 ( 2.018 -5.256 0.794) 5.686 4.310 ( -4.894 8.454 2.769) 10.153 4.420 ( -2.877 -4.563 -0.583) 5.426 4.449 ( -2.788 -1.565 0.809) 3.298 4.552 ( -8.006 -7.240 3.664) 11.399 4.598 ( 2.104 -0.083 -5.254) 5.660 4.709 ( -3.617 -4.338 -3.509) 6.649 4.766 ( -4.906 2.154 2.133) 5.767 4.797 ( -10.191 2.657 -3.219) 11.012 4.891 ( -3.361 5.739 -0.615) 6.679 4.908 ( -6.101 -1.990 1.001) 6.495 4.941 ( 2.528 3.988 6.152) 7.755 5.036 ( -0.044 0.427 2.073) 2.117 5.090 ( -0.960 2.451 1.119) 2.860 5.202 ( -2.578 -1.978 1.998) 3.815 5.347 ( -2.091 3.408 3.263) 5.161 5.386 ( 2.444 3.379 2.082) 4.661 5.437 ( -4.937 -4.614 6.534) 9.400 5.494 ( 2.902 -6.255 -2.834) 7.455 5.792 ( 3.604 0.632 -4.104) 5.498 5.819 ( 3.779 -0.430 -3.105) 4.910 5.887 ( -1.832 4.583 -3.962) 6.329 5.972 ( -0.239 0.501 -2.033) 2.108 6.063 ( 4.656 6.288 -0.130) 7.825 6.120 ( 1.098 2.492 -4.978) 5.674 6.293 ( 4.658 1.079 -7.289) 8.717 6.337 ( 4.224 0.860 -2.115) 4.802 6.445 ( 5.724 -1.543 -3.174) 6.725 6.476 ( -1.582 2.585 3.916) 4.952 6.536 ( 6.854 -6.692 -5.307) 10.951 6.590 ( 0.833 -5.665 1.606) 5.947 6.786 ( 4.517 1.505 3.275) 5.779 6.790 ( 1.961 -0.107 3.249) 3.796 6.896 ( 3.547 -4.207 -0.051) 5.503 6.958 ( -1.246 -6.000 1.344) 6.274 7.053 ( 1.719 0.133 2.719) 3.220 7.068 ( 1.637 -0.010 -6.259) 6.470 7.144 ( 5.964 -2.926 6.545) 9.326 7.164 ( 5.420 -3.166 -6.983) 9.390 7.516 ( 7.577 3.283 1.289) 8.358 7.608 ( 3.598 -4.867 0.321) 6.061 7.679 ( 2.721 2.200 -7.338) 8.129 7.726 ( -0.753 1.361 -6.344) 6.532 7.769 ( 3.562 7.253 -0.801) 8.120 7.856 ( 3.104 3.164 5.070) 6.735 7.899 ( -0.034 1.203 3.058) 3.286 8.014 ( -0.432 -7.100 -0.972) 7.179 8.157 ( -4.582 -0.879 0.977) 4.767 8.175 ( -3.355 -1.805 -1.704) 4.174 8.230 ( 0.238 -1.383 4.023) 4.261 8.267 ( -1.880 -3.361 2.264) 4.467 8.532 ( 3.975 0.717 4.417) 5.985 8.561 ( -0.087 -2.612 2.635) 3.711 8.652 ( -1.525 0.050 -2.819) 3.205 8.669 ( -3.509 -1.343 -1.319) 3.982 8.781 ( -1.474 -0.040 2.299) 2.732 8.783 ( 1.714 -0.534 0.856) 1.989 9.007 ( -3.357 2.009 4.025) 5.613 9.060 ( -1.325 -3.146 -1.406) 3.692 9.066 ( -1.208 3.176 2.238) 4.069 9.147 ( 0.451 -4.916 4.486) 6.671 9.489 ( -5.495 1.616 0.497) 5.749 9.534 ( -1.237 -0.787 -0.226) 1.484 9.744 ( 3.861 4.891 -4.711) 7.812 9.799 ( 2.764 -1.595 -4.422) 5.453 9.985 ( -0.045 2.035 1.287) 2.408 10.041 ( 0.541 -3.016 2.106) 3.718 10.146 ( 6.765 5.240 6.373) 10.669 10.178 ( 4.093 0.072 2.183) 4.639 10.272 ( -7.449 0.555 -0.005) 7.469 10.320 ( -2.817 -2.052 2.900) 4.534 10.444 ( 6.866 2.282 -0.819) 7.282 10.482 ( 2.570 -1.968 0.066) 3.238 10.585 ( 0.346 3.981 -3.018) 5.007 10.647 ( 0.498 -2.731 -1.293) 3.063 10.967 ( 2.001 3.679 0.236) 4.195 11.036 ( -3.081 -2.514 0.470) 4.004 11.234 ( 4.728 3.453 -1.306) 5.999 11.278 ( 1.976 2.054 -2.623) 3.873 11.375 ( 5.716 1.724 4.455) 7.449 11.503 ( 7.367 -6.262 -0.767) 9.699 11.597 ( 3.807 -0.199 0.087) 3.813 11.630 ( 5.654 -1.352 -0.245) 5.819 11.785 ( 3.290 -0.558 -3.197) 4.621 11.832 ( 3.836 -4.739 -4.215) 7.412 12.129 ( 3.000 3.579 1.990) 5.076 12.200 ( 3.929 -3.219 1.666) 5.345 12.679 ( -1.307 5.448 -4.225) 7.017 12.752 ( -2.415 -1.385 -10.309) 10.678 12.898 ( 0.300 3.289 2.985) 4.452 12.951 ( 5.778 -1.462 1.064) 6.054 13.094 ( -3.664 0.994 0.973) 3.919 13.123 ( 1.294 -1.824 1.715) 2.818 13.268 ( -8.199 1.681 -7.741) 11.400 13.326 ( -6.693 -3.074 -5.596) 9.250 13.490 ( -4.150 3.626 2.575) 6.082 13.576 ( 2.062 -4.054 3.572) 5.783 13.987 ( -6.764 0.403 -0.295) 6.782 14.045 ( -7.958 -4.821 -0.813) 9.340 14.193 ( -7.204 2.422 2.411) 7.973 14.266 ( -7.789 -4.447 2.962) 9.446 14.494 ( -9.336 7.850 2.624) 12.477 14.607 ( -4.051 -2.653 0.595) 4.879 14.850 ( 1.705 1.738 -2.356) 3.388 14.888 ( 0.381 -2.754 -1.345) 3.088 15.037 ( -5.166 2.123 -2.194) 6.000 15.068 ( -4.376 0.539 -1.532) 4.668 15.196 ( -6.927 2.324 -1.656) 7.491 15.270 ( -5.391 -3.792 0.091) 6.592 15.617 ( 0.711 4.997 3.983) 6.430 15.727 ( -0.340 -3.939 2.415) 4.633 16.045 ( 3.046 3.096 0.070) 4.344 16.137 ( 1.867 -4.436 -0.067) 4.814 16.385 ( -2.891 7.124 -1.674) 7.868 16.480 ( 1.433 -2.354 0.160) 2.761 16.530 ( -6.722 -0.896 0.314) 6.789 16.611 ( -11.418 -7.706 0.248) 13.778 17.057 ( -5.534 2.850 1.565) 6.418 17.085 ( -6.825 0.092 1.962) 7.102 18.441 ( 2.848 0.357 1.039) 3.052 18.445 ( 3.042 -0.013 1.366) 3.335 18.582 ( 5.073 1.793 -0.511) 5.405 18.651 ( 4.788 -5.602 1.219) 7.470 19.262 ( 6.538 2.574 1.210) 7.130 19.310 ( 6.527 -2.106 0.468) 6.875 19.413 ( 5.753 0.957 -2.154) 6.217 19.434 ( 6.424 -1.121 -1.496) 6.691 25.195 ( 0.141 3.899 1.355) 4.130 25.285 ( -3.718 -4.782 1.597) 6.264 25.315 ( -2.021 3.074 -2.002) 4.188 25.408 ( -7.170 -5.981 -2.298) 9.616 27.011 ( -0.489 1.578 -1.395) 2.162 27.039 ( -1.845 -0.920 -1.182) 2.377 27.159 ( 1.011 1.178 -0.699) 1.703 27.186 ( 1.996 -1.288 -3.131) 3.930 28.185 ( -1.422 2.683 3.004) 4.271 28.207 ( -1.487 0.540 4.772) 5.027 28.286 ( -2.752 6.330 1.531) 7.070 28.351 ( -2.086 1.801 -0.880) 2.893 28.447 ( -2.760 1.629 3.287) 4.591 28.518 ( -1.443 -4.718 4.636) 6.770 28.823 ( -4.826 1.265 -0.233) 4.994 28.868 ( -5.993 -2.885 1.364) 6.789 28.985 ( -5.267 2.430 -2.633) 6.370 29.012 ( -5.310 -0.336 -2.238) 5.772 29.943 ( 13.675 4.113 0.599) 14.292 30.025 ( 11.941 -4.017 -2.742) 12.894 30.038 ( 4.037 7.180 -14.063) 16.298 30.153 ( 4.251 -4.148 -16.329) 17.376 30.358 ( 2.753 1.244 1.800) 3.517 30.393 ( 3.186 -2.300 2.412) 4.611 30.620 ( -8.147 1.132 -0.072) 8.226 30.656 ( -10.027 -2.237 -0.837) 10.307 31.007 ( 8.558 2.941 11.423) 14.573 31.112 ( 10.164 -7.496 11.978) 17.406 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -3.459 0.000 31.720) 31.908 1.385 ( 8.609 0.000 32.140) 33.273 1.765 ( 8.619 0.000 9.386) 12.743 1.924 ( -11.247 0.000 -22.386) 25.053 2.108 ( 1.259 0.000 -8.884) 8.972 2.245 ( -0.473 0.000 -11.172) 11.182 2.607 ( -3.071 0.000 0.745) 3.160 2.623 ( 0.741 0.000 -1.135) 1.355 2.780 ( -1.117 0.000 8.687) 8.758 2.850 ( 7.893 0.000 0.534) 7.911 2.986 ( 3.856 0.000 4.172) 5.681 3.051 ( -6.056 0.000 0.545) 6.081 3.106 ( -4.308 0.000 5.947) 7.343 3.172 ( 7.631 0.000 -5.481) 9.396 3.332 ( 4.287 0.000 4.811) 6.444 3.470 ( -10.991 0.000 0.991) 11.036 3.674 ( 5.092 0.000 -1.767) 5.390 3.707 ( -6.485 0.000 -4.818) 8.079 3.711 ( 8.748 0.000 4.763) 9.961 3.770 ( 4.323 0.000 6.189) 7.549 3.837 ( -11.922 0.000 -4.125) 12.615 3.939 ( 1.778 0.000 -4.011) 4.387 3.992 ( -1.882 0.000 -12.188) 12.333 4.006 ( 5.305 0.000 -4.403) 6.894 4.146 ( -4.025 0.000 4.930) 6.364 4.251 ( -1.157 0.000 -3.570) 3.752 4.298 ( 2.434 0.000 4.914) 5.484 4.344 ( -2.008 0.000 1.397) 2.446 4.434 ( 1.611 0.000 8.165) 8.322 4.492 ( -7.502 0.000 -8.407) 11.268 4.585 ( 0.603 0.000 -7.379) 7.403 4.623 ( 5.330 0.000 -7.845) 9.484 4.789 ( -3.226 0.000 10.342) 10.834 4.811 ( -4.999 0.000 2.202) 5.463 4.863 ( 4.509 0.000 -1.511) 4.755 4.919 ( -0.210 0.000 2.093) 2.104 4.963 ( -2.509 0.000 9.659) 9.980 5.093 ( 5.498 0.000 4.178) 6.905 5.132 ( 0.701 0.000 -5.642) 5.685 5.168 ( -0.131 0.000 -5.276) 5.278 5.285 ( 3.273 0.000 10.670) 11.160 5.385 ( 7.663 0.000 6.269) 9.901 5.431 ( 2.854 0.000 -0.079) 2.855 5.491 ( -8.362 0.000 -7.112) 10.978 5.505 ( -6.913 0.000 -5.274) 8.695 5.561 ( -2.516 0.000 -12.788) 13.033 5.839 ( -3.142 0.000 -0.055) 3.142 5.866 ( 2.078 0.000 -2.943) 3.603 5.959 ( -1.134 0.000 7.385) 7.471 6.043 ( 6.151 0.000 -1.368) 6.301 6.198 ( 0.645 0.000 3.946) 3.998 6.268 ( 0.454 0.000 -0.562) 0.723 6.528 ( -0.465 0.000 -0.971) 1.077 6.591 ( -1.367 0.000 -2.697) 3.024 6.726 ( -1.146 0.000 -1.393) 1.804 6.730 ( 3.183 0.000 -3.017) 4.386 6.895 ( -3.857 0.000 4.978) 6.297 6.938 ( 2.285 0.000 0.257) 2.299 6.948 ( 6.476 0.000 -0.099) 6.477 7.076 ( 0.347 0.000 -11.431) 11.437 7.183 ( -2.345 0.000 4.947) 5.475 7.286 ( -3.318 0.000 -5.502) 6.426 7.307 ( -1.042 0.000 4.673) 4.788 7.376 ( 2.086 0.000 -2.981) 3.638 7.430 ( 4.713 0.000 7.628) 8.967 7.577 ( -6.151 0.000 -7.488) 9.690 7.621 ( 4.532 0.000 3.880) 5.966 7.650 ( -8.230 0.000 -0.470) 8.243 7.752 ( 6.534 0.000 5.784) 8.726 7.855 ( -3.241 0.000 -3.414) 4.707 7.941 ( -2.401 0.000 2.075) 3.173 7.947 ( 4.513 0.000 0.571) 4.549 8.117 ( -0.060 0.000 1.296) 1.298 8.130 ( -5.881 0.000 -1.174) 5.997 8.372 ( -5.373 0.000 1.083) 5.481 8.412 ( 4.899 0.000 -1.190) 5.041 8.568 ( 2.695 0.000 1.615) 3.142 8.617 ( -2.580 0.000 -2.225) 3.407 8.680 ( 1.077 0.000 0.208) 1.097 8.687 ( -0.315 0.000 -1.130) 1.173 8.806 ( -0.149 0.000 4.106) 4.109 8.868 ( -4.025 0.000 2.130) 4.554 8.977 ( 0.408 0.000 -6.517) 6.529 8.985 ( 5.670 0.000 -3.078) 6.452 9.298 ( 3.755 0.000 6.451) 7.464 9.361 ( -6.693 0.000 -0.302) 6.700 9.458 ( -2.974 0.000 2.497) 3.883 9.504 ( 4.241 0.000 -1.736) 4.583 9.722 ( -1.143 0.000 3.843) 4.009 9.860 ( -0.445 0.000 -9.358) 9.368 9.875 ( -0.114 0.000 1.670) 1.674 9.930 ( 0.606 0.000 -4.250) 4.293 10.013 ( 5.788 0.000 5.424) 7.932 10.091 ( -4.016 0.000 -2.461) 4.710 10.297 ( -5.704 0.000 4.284) 7.133 10.345 ( 7.060 0.000 0.147) 7.061 10.463 ( 6.194 0.000 3.940) 7.341 10.503 ( -3.836 0.000 -0.424) 3.860 10.602 ( 1.798 0.000 -0.358) 1.833 10.603 ( -2.158 0.000 -0.562) 2.230 10.870 ( -9.244 0.000 0.741) 9.274 10.943 ( 8.684 0.000 -5.572) 10.318 11.322 ( -3.111 0.000 5.842) 6.619 11.352 ( -0.871 0.000 2.752) 2.887 11.589 ( 4.457 0.000 0.149) 4.460 11.636 ( -4.688 0.000 -4.238) 6.320 11.790 ( 1.404 0.000 0.402) 1.461 11.835 ( 2.080 0.000 -4.787) 5.219 11.894 ( 1.567 0.000 1.586) 2.230 11.924 ( -1.350 0.000 -0.620) 1.485 12.226 ( 0.698 0.000 7.532) 7.564 12.408 ( 0.148 0.000 -10.594) 10.595 12.519 ( -0.782 0.000 2.294) 2.424 12.578 ( -6.092 0.000 -3.491) 7.022 12.917 ( -5.373 0.000 0.753) 5.426 12.944 ( 1.047 0.000 -1.850) 2.126 13.141 ( -1.958 0.000 3.430) 3.949 13.166 ( 29.597 0.000 0.044) 29.597 13.216 ( -0.020 0.000 -0.436) 0.437 13.239 ( -11.508 0.000 -1.420) 11.595 13.440 ( 7.738 0.000 5.436) 9.457 13.548 ( -4.370 0.000 -6.033) 7.449 13.958 ( 2.098 0.000 0.637) 2.193 13.964 ( -0.746 0.000 0.138) 0.759 14.147 ( 4.436 0.000 1.311) 4.626 14.186 ( -7.033 0.000 -2.687) 7.529 14.423 ( 2.777 0.000 5.729) 6.367 14.529 ( -0.801 0.000 -4.880) 4.945 14.716 ( -7.999 0.000 1.974) 8.240 14.752 ( 12.476 0.000 -1.773) 12.601 14.999 ( -1.009 0.000 1.018) 1.434 15.029 ( -1.547 0.000 -2.152) 2.651 15.164 ( 6.653 0.000 5.472) 8.614 15.256 ( -6.928 0.000 -3.691) 7.850 15.577 ( -0.690 0.000 3.068) 3.145 15.610 ( 1.788 0.000 0.084) 1.790 16.162 ( -7.405 0.000 0.320) 7.412 16.170 ( 6.255 0.000 0.199) 6.258 16.310 ( 4.411 0.000 0.279) 4.419 16.336 ( -4.744 0.000 -2.673) 5.446 16.608 ( -3.747 0.000 3.025) 4.816 16.674 ( 1.841 0.000 -3.619) 4.061 16.923 ( -5.136 0.000 2.573) 5.745 16.951 ( 3.638 0.000 -0.251) 3.646 18.472 ( 0.268 0.000 0.946) 0.983 18.478 ( -0.566 0.000 0.320) 0.651 18.733 ( 6.834 0.000 3.231) 7.559 18.810 ( -11.447 0.000 -4.434) 12.276 19.321 ( 0.735 0.000 3.007) 3.095 19.382 ( -0.569 0.000 -3.183) 3.234 19.488 ( 1.090 0.000 0.924) 1.429 19.510 ( -0.612 0.000 -1.219) 1.363 25.204 ( 1.006 0.000 1.872) 2.125 25.242 ( -0.874 0.000 -1.984) 2.168 25.280 ( -3.043 0.000 1.855) 3.564 25.317 ( 3.421 0.000 -1.890) 3.908 27.005 ( 1.113 0.000 0.189) 1.128 27.021 ( -0.204 0.000 -1.634) 1.646 27.142 ( -0.918 0.000 1.050) 1.394 27.159 ( 0.869 0.000 -0.626) 1.071 27.947 ( 0.051 0.000 0.013) 0.052 27.947 ( -0.044 0.000 -0.027) 0.051 28.258 ( -0.897 0.000 1.602) 1.836 28.286 ( -0.041 0.000 -1.221) 1.221 28.594 ( 4.429 0.000 8.219) 9.337 28.645 ( -2.847 0.000 6.281) 6.896 28.693 ( -0.246 0.000 -3.798) 3.806 28.786 ( -2.574 0.000 -5.460) 6.037 28.885 ( -0.024 0.000 1.608) 1.609 28.939 ( 2.723 0.000 -4.154) 4.967 29.753 ( -3.043 0.000 6.328) 7.022 29.929 ( -0.117 0.000 -12.135) 12.135 30.135 ( -5.593 0.000 5.678) 7.970 30.228 ( 5.945 0.000 -3.566) 6.932 30.401 ( 2.867 0.000 1.328) 3.160 30.430 ( -3.461 0.000 -1.593) 3.810 30.465 ( 5.634 0.000 -0.073) 5.634 30.479 ( -5.376 0.000 -1.635) 5.619 31.442 ( -2.267 0.000 18.499) 18.637 31.763 ( 4.291 0.000 -14.375) 15.001 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 12.151 0.000 25.384) 28.142 1.540 ( 6.297 0.000 25.481) 26.247 1.834 ( 4.013 0.000 -14.909) 15.439 2.052 ( 6.416 0.000 -19.190) 20.234 2.268 ( 2.923 0.000 -12.242) 12.586 2.295 ( 25.517 0.000 12.353) 28.350 2.621 ( -1.116 0.000 1.450) 1.829 2.668 ( -2.676 0.000 3.299) 4.248 2.785 ( -1.356 0.000 -0.670) 1.512 2.848 ( -8.918 0.000 -2.823) 9.354 2.927 ( -4.916 0.000 -2.583) 5.553 3.012 ( -3.124 0.000 8.853) 9.388 3.138 ( 7.963 0.000 4.595) 9.194 3.225 ( 14.114 0.000 -5.535) 15.160 3.342 ( -1.307 0.000 14.824) 14.881 3.349 ( -7.055 0.000 -14.544) 16.165 3.595 ( -4.302 0.000 2.888) 5.182 3.669 ( 2.997 0.000 -7.224) 7.822 3.766 ( 5.897 0.000 -0.186) 5.900 3.902 ( 3.576 0.000 3.506) 5.008 3.965 ( -9.815 0.000 -10.468) 14.350 3.997 ( 13.199 0.000 4.543) 13.959 4.055 ( 3.799 0.000 0.317) 3.812 4.097 ( 5.396 0.000 -4.711) 7.163 4.168 ( 5.482 0.000 8.231) 9.889 4.192 ( 1.082 0.000 -1.317) 1.704 4.224 ( 1.320 0.000 1.394) 1.920 4.371 ( 8.620 0.000 8.953) 12.428 4.461 ( -0.323 0.000 -7.003) 7.011 4.493 ( -3.995 0.000 -6.419) 7.560 4.583 ( 8.309 0.000 6.939) 10.825 4.667 ( -8.488 0.000 0.336) 8.495 4.678 ( 1.937 0.000 -5.950) 6.258 4.851 ( 2.246 0.000 2.744) 3.546 4.919 ( -1.137 0.000 10.015) 10.080 4.951 ( 1.485 0.000 4.420) 4.663 4.995 ( 6.513 0.000 1.041) 6.595 5.081 ( -1.604 0.000 -7.161) 7.339 5.233 ( 8.048 0.000 4.449) 9.196 5.258 ( 7.034 0.000 -7.457) 10.251 5.316 ( -6.851 0.000 -7.234) 9.963 5.347 ( 2.031 0.000 8.281) 8.527 5.462 ( 7.347 0.000 5.697) 9.297 5.524 ( 3.392 0.000 -2.764) 4.375 5.556 ( 4.286 0.000 0.340) 4.300 5.565 ( 7.988 0.000 -3.338) 8.658 5.810 ( -0.435 0.000 -0.121) 0.452 5.838 ( -12.924 0.000 -1.845) 13.055 5.958 ( 7.773 0.000 -0.964) 7.832 6.102 ( 1.380 0.000 -0.652) 1.526 6.267 ( 5.816 0.000 1.306) 5.961 6.280 ( 1.519 0.000 2.428) 2.865 6.481 ( -7.007 0.000 -0.249) 7.011 6.532 ( 0.387 0.000 1.420) 1.471 6.640 ( -6.850 0.000 -4.225) 8.049 6.682 ( -10.287 0.000 -8.779) 13.524 6.812 ( -1.729 0.000 3.255) 3.686 6.869 ( -7.483 0.000 -7.571) 10.645 7.034 ( -7.803 0.000 4.983) 9.258 7.046 ( -5.512 0.000 -1.936) 5.842 7.099 ( 3.051 0.000 0.719) 3.134 7.200 ( -2.460 0.000 -2.173) 3.282 7.306 ( -1.315 0.000 3.582) 3.816 7.386 ( -3.821 0.000 -3.084) 4.910 7.408 ( -8.943 0.000 -5.799) 10.659 7.530 ( 5.032 0.000 9.210) 10.495 7.577 ( -0.247 0.000 -4.229) 4.236 7.747 ( -7.142 0.000 -4.118) 8.244 7.753 ( 4.259 0.000 6.557) 7.819 7.822 ( -6.707 0.000 -3.766) 7.692 7.832 ( 5.378 0.000 3.893) 6.639 7.932 ( -2.290 0.000 6.602) 6.988 8.125 ( 2.600 0.000 1.885) 3.211 8.137 ( -2.140 0.000 3.908) 4.456 8.297 ( -2.428 0.000 -3.553) 4.303 8.466 ( -0.284 0.000 5.025) 5.033 8.596 ( -0.737 0.000 -2.116) 2.241 8.598 ( -2.049 0.000 0.918) 2.245 8.624 ( -4.488 0.000 1.133) 4.629 8.680 ( -1.834 0.000 -2.718) 3.279 8.847 ( 3.801 0.000 -0.236) 3.808 8.855 ( 6.413 0.000 4.169) 7.649 8.924 ( -5.233 0.000 -7.614) 9.239 9.047 ( 0.830 0.000 -4.253) 4.333 9.284 ( -0.417 0.000 -2.401) 2.437 9.331 ( -1.814 0.000 8.569) 8.759 9.463 ( 4.122 0.000 1.257) 4.309 9.483 ( -7.015 0.000 1.272) 7.129 9.686 ( -0.290 0.000 6.982) 6.988 9.795 ( -6.121 0.000 -7.680) 9.821 9.925 ( 4.769 0.000 1.712) 5.067 9.982 ( 4.484 0.000 -4.050) 6.042 10.001 ( -3.552 0.000 -4.041) 5.380 10.114 ( 3.920 0.000 1.065) 4.062 10.250 ( 1.480 0.000 2.926) 3.279 10.433 ( -2.978 0.000 -4.415) 5.326 10.461 ( -5.759 0.000 2.255) 6.185 10.475 ( 2.516 0.000 4.175) 4.875 10.600 ( -2.468 0.000 0.810) 2.598 10.672 ( 6.069 0.000 0.578) 6.096 10.787 ( 5.272 0.000 -3.837) 6.521 11.062 ( 1.161 0.000 -2.854) 3.081 11.115 ( -14.255 0.000 6.237) 15.560 11.151 ( -12.183 0.000 2.745) 12.489 11.490 ( -7.797 0.000 -4.698) 9.103 11.610 ( -1.721 0.000 1.690) 2.412 11.742 ( -7.323 0.000 1.652) 7.507 11.757 ( -11.372 0.000 -4.401) 12.194 11.907 ( 1.554 0.000 -4.470) 4.732 11.910 ( 2.948 0.000 1.604) 3.356 12.225 ( -2.561 0.000 7.901) 8.306 12.346 ( -6.126 0.000 1.947) 6.428 12.474 ( -2.388 0.000 -5.623) 6.109 12.496 ( -0.545 0.000 3.205) 3.251 12.938 ( 4.288 0.000 2.677) 5.055 12.960 ( -7.724 0.000 -4.304) 8.842 13.019 ( 4.624 0.000 1.414) 4.835 13.053 ( -6.776 0.000 -2.698) 7.294 13.360 ( -8.614 0.000 -6.152) 10.585 13.452 ( 10.612 0.000 1.503) 10.718 13.545 ( 9.977 0.000 -6.152) 11.721 13.636 ( 12.534 0.000 1.076) 12.580 14.052 ( 0.316 0.000 4.240) 4.252 14.171 ( 12.371 0.000 0.177) 12.372 14.202 ( -0.348 0.000 1.730) 1.764 14.389 ( 29.458 0.000 -10.693) 31.338 14.459 ( -3.911 0.000 -3.405) 5.186 14.497 ( 5.545 0.000 4.594) 7.201 14.665 ( 2.922 0.000 -3.941) 4.906 14.886 ( 1.524 0.000 -4.586) 4.833 15.060 ( 5.130 0.000 3.978) 6.492 15.092 ( -1.736 0.000 -1.890) 2.566 15.284 ( 3.926 0.000 6.308) 7.430 15.339 ( 18.369 0.000 -11.207) 21.518 15.608 ( 4.579 0.000 1.850) 4.939 15.671 ( 7.107 0.000 -1.654) 7.297 16.024 ( -5.907 0.000 2.373) 6.366 16.193 ( -7.854 0.000 -1.574) 8.010 16.323 ( 8.405 0.000 0.634) 8.429 16.378 ( 1.949 0.000 -1.212) 2.295 16.575 ( -0.940 0.000 3.904) 4.016 16.774 ( 6.823 0.000 -0.822) 6.873 16.867 ( 0.937 0.000 1.378) 1.667 17.033 ( 4.561 0.000 1.243) 4.727 18.424 ( -6.778 0.000 1.748) 7.000 18.457 ( -2.038 0.000 1.180) 2.355 18.564 ( -9.257 0.000 -0.924) 9.303 18.777 ( -2.836 0.000 5.358) 6.062 19.263 ( -6.348 0.000 2.865) 6.965 19.286 ( -8.632 0.000 -2.957) 9.124 19.423 ( -7.191 0.000 -1.524) 7.351 19.444 ( -4.386 0.000 0.087) 4.387 25.141 ( -2.440 0.000 2.499) 3.493 25.211 ( -0.354 0.000 -3.892) 3.908 25.426 ( 11.937 0.000 3.053) 12.321 25.581 ( 18.516 0.000 -6.287) 19.555 26.998 ( -1.925 0.000 -2.390) 3.069 27.012 ( -0.266 0.000 -0.285) 0.390 27.101 ( -3.175 0.000 1.569) 3.541 27.158 ( -0.969 0.000 -1.409) 1.710 27.944 ( -0.405 0.000 0.295) 0.502 27.955 ( 0.895 0.000 0.096) 0.900 28.285 ( 2.985 0.000 3.685) 4.743 28.326 ( 3.511 0.000 -1.174) 3.702 28.596 ( -1.565 0.000 12.279) 12.378 28.705 ( 1.321 0.000 -7.013) 7.136 28.736 ( 8.973 0.000 0.434) 8.984 28.786 ( 2.915 0.000 -3.768) 4.764 28.945 ( 5.228 0.000 1.557) 5.454 29.055 ( 9.487 0.000 -4.242) 10.392 29.659 ( -6.148 0.000 12.770) 14.173 29.887 ( -3.636 0.000 -8.750) 9.475 29.932 ( -11.566 0.000 4.178) 12.297 30.150 ( -11.920 0.000 -7.069) 13.858 30.369 ( -2.309 0.000 -0.940) 2.493 30.416 ( 2.811 0.000 2.609) 3.835 30.548 ( 6.074 0.000 0.258) 6.079 30.641 ( 8.372 0.000 -2.023) 8.613 31.292 ( -12.605 0.000 14.459) 19.182 31.638 ( -13.744 0.000 -10.663) 17.395 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 5.270 0.000 13.356) 14.358 1.836 ( 21.138 0.000 19.346) 28.654 1.997 ( 11.885 0.000 -8.099) 14.382 2.153 ( 6.270 0.000 -12.907) 14.349 2.281 ( -5.276 0.000 -1.993) 5.640 2.432 ( -7.728 0.000 -0.836) 7.773 2.459 ( -8.775 0.000 2.150) 9.035 2.725 ( 10.946 0.000 -0.412) 10.954 2.745 ( -7.207 0.000 -3.089) 7.841 2.856 ( 5.424 0.000 -4.523) 7.063 2.910 ( -1.260 0.000 -5.873) 6.006 2.963 ( -0.037 0.000 10.892) 10.892 3.214 ( -1.401 0.000 -11.975) 12.056 3.216 ( 0.944 0.000 1.189) 1.518 3.376 ( 4.258 0.000 8.743) 9.725 3.525 ( -2.922 0.000 6.795) 7.397 3.583 ( 4.384 0.000 -8.127) 9.234 3.710 ( 1.599 0.000 -7.975) 8.134 3.827 ( -0.721 0.000 5.125) 5.176 3.844 ( 9.743 0.000 -3.412) 10.324 3.885 ( -0.753 0.000 -0.974) 1.232 4.061 ( -5.888 0.000 -4.487) 7.403 4.085 ( 2.483 0.000 -0.265) 2.497 4.136 ( -1.497 0.000 0.776) 1.687 4.302 ( 4.907 0.000 3.586) 6.077 4.339 ( 5.088 0.000 0.583) 5.122 4.375 ( 9.282 0.000 2.703) 9.667 4.460 ( -3.471 0.000 3.639) 5.029 4.489 ( 6.248 0.000 -5.140) 8.091 4.587 ( 8.165 0.000 4.550) 9.347 4.656 ( 12.225 0.000 9.900) 15.731 4.696 ( -4.935 0.000 -3.550) 6.079 4.757 ( 11.469 0.000 6.981) 13.427 4.777 ( -0.143 0.000 0.702) 0.716 4.909 ( -0.012 0.000 8.730) 8.730 5.027 ( 5.385 0.000 6.742) 8.629 5.034 ( 6.227 0.000 -12.166) 13.667 5.193 ( -1.022 0.000 -7.947) 8.012 5.300 ( 11.323 0.000 2.892) 11.687 5.327 ( -4.301 0.000 4.178) 5.996 5.362 ( 1.376 0.000 -8.687) 8.795 5.372 ( -4.469 0.000 -0.867) 4.553 5.561 ( 6.557 0.000 2.238) 6.928 5.600 ( 5.888 0.000 2.879) 6.554 5.627 ( 2.073 0.000 -2.571) 3.303 5.673 ( 1.208 0.000 -2.731) 2.986 5.774 ( 13.033 0.000 6.093) 14.388 5.870 ( 8.082 0.000 -1.756) 8.271 6.121 ( -0.014 0.000 3.782) 3.782 6.150 ( 9.242 0.000 3.781) 9.985 6.269 ( -3.499 0.000 -1.989) 4.025 6.300 ( -1.028 0.000 2.003) 2.251 6.343 ( -20.716 0.000 0.709) 20.728 6.447 ( -7.886 0.000 -9.202) 12.118 6.504 ( 1.611 0.000 4.413) 4.698 6.508 ( -2.849 0.000 -5.422) 6.125 6.728 ( -3.142 0.000 -2.329) 3.911 6.843 ( 4.178 0.000 -4.118) 5.866 6.917 ( -6.388 0.000 -1.053) 6.474 6.935 ( -3.652 0.000 5.711) 6.779 7.076 ( -10.194 0.000 -0.275) 10.197 7.096 ( -2.320 0.000 -1.055) 2.549 7.170 ( -11.666 0.000 0.600) 11.682 7.248 ( -4.117 0.000 2.174) 4.656 7.340 ( -2.524 0.000 -6.759) 7.215 7.550 ( -3.081 0.000 5.789) 6.558 7.573 ( 0.323 0.000 -2.842) 2.861 7.648 ( -1.582 0.000 -5.086) 5.327 7.734 ( -6.644 0.000 5.417) 8.572 7.745 ( -2.505 0.000 -3.746) 4.507 7.884 ( -2.268 0.000 8.710) 9.000 8.027 ( -5.605 0.000 4.401) 7.126 8.052 ( 11.720 0.000 2.405) 11.964 8.141 ( -1.184 0.000 0.670) 1.360 8.273 ( 0.548 0.000 -4.012) 4.049 8.398 ( -5.055 0.000 2.564) 5.668 8.448 ( -9.417 0.000 -4.879) 10.606 8.531 ( -2.656 0.000 3.477) 4.375 8.628 ( -0.925 0.000 -0.994) 1.358 8.673 ( 0.225 0.000 -2.334) 2.344 8.835 ( -1.890 0.000 -2.076) 2.808 8.925 ( 3.981 0.000 -0.957) 4.094 9.014 ( 7.027 0.000 0.817) 7.075 9.054 ( 0.992 0.000 -2.270) 2.477 9.278 ( -3.341 0.000 4.654) 5.729 9.279 ( -2.026 0.000 -0.605) 2.115 9.350 ( -5.066 0.000 1.851) 5.393 9.531 ( -2.134 0.000 1.725) 2.744 9.655 ( -3.035 0.000 -4.106) 5.106 9.703 ( 1.778 0.000 3.900) 4.286 9.946 ( -2.174 0.000 -4.728) 5.204 10.037 ( 5.778 0.000 2.823) 6.431 10.091 ( 5.362 0.000 -1.216) 5.498 10.154 ( 0.155 0.000 -3.394) 3.398 10.314 ( -0.807 0.000 -1.043) 1.319 10.338 ( -0.768 0.000 3.733) 3.811 10.376 ( -3.455 0.000 0.632) 3.513 10.390 ( -3.828 0.000 -0.059) 3.829 10.665 ( 5.077 0.000 -2.067) 5.482 10.743 ( 0.750 0.000 1.589) 1.757 10.863 ( -8.946 0.000 0.769) 8.979 10.867 ( -7.808 0.000 4.679) 9.103 11.017 ( 13.607 0.000 -2.900) 13.912 11.174 ( 3.399 0.000 -3.763) 5.071 11.400 ( -0.264 0.000 -5.749) 5.755 11.514 ( -11.400 0.000 -3.492) 11.923 11.556 ( -2.863 0.000 3.841) 4.791 11.636 ( -2.763 0.000 4.982) 5.697 11.922 ( -2.568 0.000 0.325) 2.588 11.938 ( 1.600 0.000 -3.965) 4.276 12.109 ( -8.986 0.000 6.462) 11.068 12.145 ( -13.504 0.000 8.691) 16.059 12.489 ( 3.273 0.000 -10.624) 11.117 12.524 ( 2.566 0.000 0.763) 2.677 12.802 ( -8.866 0.000 0.301) 8.871 12.838 ( -7.767 0.000 -1.450) 7.902 13.100 ( 3.619 0.000 2.005) 4.137 13.129 ( 7.269 0.000 -0.826) 7.315 13.246 ( -2.832 0.000 -3.992) 4.894 13.457 ( -7.434 0.000 -2.110) 7.727 13.750 ( 10.321 0.000 -2.101) 10.533 13.866 ( 10.975 0.000 -1.952) 11.148 14.115 ( -0.896 0.000 3.846) 3.949 14.152 ( -3.128 0.000 -1.177) 3.342 14.419 ( 13.451 0.000 0.254) 13.453 14.576 ( 14.754 0.000 3.309) 15.121 14.624 ( 5.916 0.000 4.972) 7.728 14.760 ( 7.050 0.000 -3.969) 8.091 14.815 ( 14.080 0.000 -8.014) 16.201 14.907 ( 0.885 0.000 -3.352) 3.467 15.086 ( 3.210 0.000 -1.538) 3.559 15.152 ( 3.310 0.000 5.529) 6.444 15.304 ( -1.142 0.000 4.082) 4.239 15.484 ( -0.074 0.000 -4.342) 4.343 15.753 ( 8.647 0.000 1.777) 8.828 15.833 ( -2.164 0.000 5.982) 6.361 16.032 ( 11.635 0.000 -12.360) 16.975 16.053 ( -5.392 0.000 -1.837) 5.696 16.424 ( 3.731 0.000 -3.690) 5.248 16.483 ( 6.457 0.000 5.570) 8.528 16.557 ( -0.535 0.000 2.382) 2.441 16.791 ( -2.175 0.000 1.320) 2.544 17.039 ( 11.720 0.000 -5.201) 12.822 17.117 ( 3.598 0.000 3.039) 4.709 18.255 ( -7.307 0.000 1.845) 7.536 18.391 ( -4.738 0.000 1.304) 4.914 18.475 ( -2.558 0.000 -2.174) 3.357 18.642 ( -9.953 0.000 2.895) 10.365 19.093 ( -9.651 0.000 -2.772) 10.041 19.098 ( -9.725 0.000 2.295) 9.992 19.290 ( -5.359 0.000 0.518) 5.384 19.352 ( -4.371 0.000 -1.633) 4.666 25.125 ( 0.180 0.000 3.253) 3.258 25.213 ( 0.513 0.000 -4.628) 4.657 25.675 ( 12.251 0.000 5.755) 13.535 25.918 ( 14.545 0.000 -10.279) 17.811 26.958 ( -1.675 0.000 -2.887) 3.338 26.998 ( -1.575 0.000 0.777) 1.756 27.034 ( -2.879 0.000 1.301) 3.159 27.124 ( -2.218 0.000 -2.067) 3.032 27.942 ( 0.402 0.000 0.830) 0.922 27.976 ( 1.036 0.000 0.345) 1.092 28.345 ( 2.413 0.000 5.321) 5.843 28.395 ( 3.051 0.000 -1.693) 3.490 28.581 ( -0.630 0.000 13.603) 13.618 28.738 ( 2.665 0.000 -9.130) 9.511 28.889 ( 7.615 0.000 -5.763) 9.550 28.938 ( 11.216 0.000 -1.849) 11.368 29.026 ( 0.750 0.000 7.083) 7.122 29.282 ( 12.602 0.000 -4.866) 13.509 29.607 ( 2.439 0.000 12.669) 12.902 29.727 ( -9.219 0.000 1.840) 9.401 29.760 ( -10.733 0.000 -2.596) 11.042 29.922 ( -7.326 0.000 -9.617) 12.089 30.311 ( -4.661 0.000 0.190) 4.665 30.445 ( -2.315 0.000 1.875) 2.979 30.620 ( 0.784 0.000 2.924) 3.028 30.753 ( 3.206 0.000 -4.473) 5.504 31.055 ( -9.168 0.000 9.171) 12.967 31.348 ( -13.102 0.000 -6.301) 14.539 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 6.275 0.000 3.677) 7.273 1.988 ( -8.130 0.000 4.636) 9.359 2.168 ( 0.914 0.000 7.800) 7.854 2.268 ( 5.319 0.000 -5.662) 7.768 2.330 ( 13.474 0.000 -2.926) 13.789 2.396 ( 1.810 0.000 10.873) 11.022 2.448 ( 5.512 0.000 -1.740) 5.780 2.608 ( -3.031 0.000 -1.487) 3.376 2.727 ( -6.913 0.000 -15.830) 17.273 2.776 ( -4.835 0.000 -5.603) 7.401 2.910 ( -5.728 0.000 6.823) 8.909 2.994 ( 1.869 0.000 0.841) 2.050 3.188 ( 0.204 0.000 -4.020) 4.025 3.271 ( 4.729 0.000 -3.764) 6.044 3.395 ( -2.753 0.000 -1.817) 3.298 3.441 ( -5.436 0.000 2.436) 5.957 3.620 ( 7.529 0.000 -3.495) 8.301 3.811 ( 5.733 0.000 -2.743) 6.355 3.820 ( -7.822 0.000 3.909) 8.744 3.877 ( -1.882 0.000 0.030) 1.882 3.988 ( 8.514 0.000 -4.045) 9.426 4.065 ( 3.106 0.000 1.965) 3.675 4.133 ( 1.539 0.000 -0.405) 1.591 4.134 ( 0.292 0.000 -2.722) 2.738 4.308 ( 1.461 0.000 1.277) 1.940 4.350 ( -5.913 0.000 1.569) 6.118 4.434 ( 2.661 0.000 -4.618) 5.330 4.437 ( -2.548 0.000 4.640) 5.294 4.544 ( 4.772 0.000 7.024) 8.492 4.627 ( 0.453 0.000 6.491) 6.507 4.692 ( 2.146 0.000 1.566) 2.657 4.793 ( -1.202 0.000 -1.572) 1.979 4.897 ( 9.042 0.000 -2.963) 9.515 4.916 ( -12.818 0.000 7.386) 14.794 4.949 ( 5.718 0.000 10.712) 12.143 5.124 ( 11.375 0.000 -0.987) 11.418 5.179 ( 4.522 0.000 -12.101) 12.919 5.220 ( 1.397 0.000 -8.097) 8.217 5.293 ( 2.239 0.000 2.661) 3.478 5.310 ( -1.331 0.000 -0.455) 1.407 5.369 ( 2.154 0.000 4.581) 5.062 5.485 ( 5.437 0.000 -10.672) 11.977 5.588 ( -3.873 0.000 14.908) 15.403 5.646 ( 1.191 0.000 9.783) 9.855 5.690 ( 2.967 0.000 0.908) 3.103 5.798 ( 2.731 0.000 0.939) 2.888 5.935 ( -0.756 0.000 -4.812) 4.871 6.001 ( 2.052 0.000 -6.330) 6.654 6.029 ( -1.332 0.000 11.399) 11.476 6.131 ( 3.894 0.000 -4.726) 6.124 6.186 ( -8.137 0.000 4.766) 9.430 6.268 ( -3.553 0.000 -6.184) 7.132 6.294 ( 1.985 0.000 -2.418) 3.128 6.304 ( 1.330 0.000 -1.397) 1.929 6.504 ( 6.213 0.000 -2.332) 6.636 6.523 ( 0.416 0.000 -0.521) 0.667 6.727 ( -0.732 0.000 0.243) 0.771 6.788 ( -7.240 0.000 -2.172) 7.559 6.837 ( -6.550 0.000 3.639) 7.492 6.881 ( -1.172 0.000 -7.448) 7.539 6.968 ( 3.322 0.000 7.287) 8.008 7.076 ( 0.749 0.000 2.610) 2.716 7.088 ( 3.306 0.000 0.651) 3.369 7.150 ( -6.551 0.000 1.324) 6.683 7.309 ( 1.808 0.000 -0.583) 1.900 7.494 ( -3.704 0.000 3.466) 5.073 7.539 ( -8.513 0.000 -0.698) 8.541 7.600 ( 0.252 0.000 -5.310) 5.316 7.673 ( 6.033 0.000 6.011) 8.517 7.691 ( -1.821 0.000 -4.071) 4.460 7.741 ( -9.923 0.000 2.273) 10.180 7.945 ( -5.595 0.000 0.193) 5.598 8.122 ( 0.260 0.000 0.027) 0.262 8.232 ( -2.831 0.000 -7.744) 8.245 8.299 ( 0.859 0.000 0.828) 1.193 8.329 ( 6.707 0.000 2.076) 7.021 8.338 ( -0.796 0.000 -2.663) 2.779 8.486 ( -3.193 0.000 1.053) 3.362 8.594 ( -0.766 0.000 0.383) 0.857 8.655 ( -1.970 0.000 -1.710) 2.609 8.867 ( 4.063 0.000 3.213) 5.180 8.988 ( 1.566 0.000 -2.551) 2.993 9.100 ( 4.059 0.000 -0.080) 4.060 9.108 ( 3.947 0.000 2.003) 4.426 9.208 ( -3.918 0.000 1.770) 4.299 9.232 ( -6.666 0.000 -3.312) 7.444 9.255 ( -0.112 0.000 1.972) 1.975 9.360 ( -9.140 0.000 -2.590) 9.500 9.720 ( 3.882 0.000 4.344) 5.826 9.748 ( 2.172 0.000 2.324) 3.181 9.909 ( 0.793 0.000 -2.843) 2.951 10.087 ( -6.426 0.000 -5.851) 8.691 10.134 ( 3.003 0.000 4.424) 5.347 10.159 ( 0.303 0.000 2.621) 2.639 10.285 ( 1.647 0.000 -1.773) 2.420 10.296 ( -3.250 0.000 4.073) 5.211 10.397 ( 2.055 0.000 -2.296) 3.082 10.407 ( 3.206 0.000 -5.027) 5.962 10.703 ( -2.788 0.000 3.135) 4.195 10.725 ( 1.741 0.000 -3.762) 4.145 10.784 ( -0.796 0.000 -1.369) 1.584 10.792 ( -0.585 0.000 -0.157) 0.605 11.211 ( 0.748 0.000 -3.562) 3.639 11.236 ( 0.382 0.000 -2.777) 2.803 11.393 ( 8.187 0.000 3.012) 8.723 11.479 ( -5.937 0.000 7.824) 9.822 11.497 ( 7.950 0.000 -6.576) 10.318 11.667 ( 1.387 0.000 2.383) 2.758 11.773 ( -8.543 0.000 1.632) 8.697 11.901 ( -10.348 0.000 5.217) 11.588 11.949 ( -5.036 0.000 6.569) 8.277 11.982 ( 1.799 0.000 -4.572) 4.913 12.542 ( -2.642 0.000 -0.263) 2.655 12.556 ( 3.238 0.000 -8.115) 8.737 12.660 ( -3.499 0.000 4.344) 5.578 12.736 ( -2.364 0.000 -3.388) 4.131 13.158 ( 1.563 0.000 1.623) 2.253 13.211 ( 1.060 0.000 -4.887) 5.000 13.240 ( 1.947 0.000 0.832) 2.117 13.312 ( -5.012 0.000 -1.465) 5.222 13.897 ( 4.362 0.000 -1.025) 4.481 13.951 ( -2.775 0.000 -0.934) 2.928 14.118 ( 2.310 0.000 1.826) 2.945 14.132 ( 1.354 0.000 -1.053) 1.715 14.640 ( 9.077 0.000 -1.731) 9.240 14.679 ( -1.125 0.000 4.557) 4.694 14.779 ( 4.928 0.000 -1.156) 5.061 14.869 ( -2.807 0.000 -2.556) 3.796 14.940 ( 6.731 0.000 3.693) 7.677 15.007 ( 5.940 0.000 -6.367) 8.708 15.177 ( -0.852 0.000 5.193) 5.263 15.199 ( 5.942 0.000 -2.590) 6.482 15.302 ( 2.209 0.000 3.176) 3.868 15.443 ( -3.630 0.000 -1.812) 4.057 15.730 ( -5.437 0.000 10.209) 11.567 15.858 ( 1.640 0.000 -4.064) 4.383 16.028 ( 2.021 0.000 5.086) 5.473 16.210 ( 4.061 0.000 -10.743) 11.485 16.492 ( -3.048 0.000 7.079) 7.707 16.521 ( 5.732 0.000 -4.762) 7.452 16.626 ( 5.032 0.000 0.643) 5.073 16.736 ( -2.688 0.000 -1.686) 3.174 17.159 ( -0.021 0.000 5.325) 5.325 17.223 ( 6.216 0.000 -6.022) 8.655 18.184 ( 0.199 0.000 1.815) 1.826 18.285 ( -5.366 0.000 -0.062) 5.366 18.439 ( -0.373 0.000 -2.887) 2.911 18.462 ( -6.980 0.000 0.777) 7.023 18.939 ( -5.486 0.000 1.915) 5.811 18.961 ( -2.813 0.000 -2.992) 4.107 19.225 ( -1.367 0.000 2.359) 2.727 19.291 ( -1.590 0.000 -3.292) 3.656 25.136 ( 0.480 0.000 3.439) 3.473 25.220 ( 0.312 0.000 -4.786) 4.796 25.869 ( 6.562 0.000 7.513) 9.975 26.096 ( 3.738 0.000 -10.937) 11.558 26.936 ( -3.560 0.000 2.951) 4.624 26.947 ( 1.000 0.000 -3.104) 3.261 27.022 ( 0.814 0.000 -0.047) 0.816 27.077 ( -2.381 0.000 -2.190) 3.235 27.961 ( 1.377 0.000 0.807) 1.596 27.986 ( -0.188 0.000 0.129) 0.229 28.372 ( 0.168 0.000 5.809) 5.811 28.435 ( 1.246 0.000 -2.050) 2.399 28.581 ( -0.250 0.000 13.902) 13.904 28.799 ( 3.555 0.000 -11.037) 11.595 28.966 ( -5.734 0.000 12.643) 13.883 29.060 ( 9.433 0.000 -9.058) 13.078 29.161 ( 11.591 0.000 -1.037) 11.638 29.417 ( -6.296 0.000 -5.623) 8.441 29.532 ( -8.508 0.000 2.465) 8.858 29.547 ( -2.643 0.000 -4.768) 5.451 29.825 ( 15.312 0.000 7.438) 17.023 29.915 ( 6.275 0.000 -0.435) 6.290 30.163 ( -10.223 0.000 0.410) 10.231 30.264 ( -13.882 0.000 -2.164) 14.050 30.632 ( 1.036 0.000 5.689) 5.782 30.773 ( -0.371 0.000 -6.022) 6.034 30.989 ( 0.428 0.000 6.861) 6.875 31.168 ( -5.313 0.000 -5.491) 7.641 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -2.743 0.000 -2.756) 3.888 1.892 ( 1.335 0.000 9.451) 9.545 2.159 ( -4.800 0.000 5.314) 7.161 2.312 ( -5.906 0.000 15.651) 16.728 2.316 ( -0.252 0.000 -6.456) 6.461 2.425 ( -5.420 0.000 -11.208) 12.450 2.483 ( 5.064 0.000 0.118) 5.065 2.624 ( -2.560 0.000 -0.954) 2.732 2.641 ( -11.071 0.000 -8.433) 13.918 2.715 ( 7.063 0.000 2.218) 7.403 2.934 ( 11.937 0.000 0.518) 11.948 3.064 ( 1.429 0.000 -5.706) 5.882 3.217 ( 2.869 0.000 2.428) 3.758 3.238 ( -5.445 0.000 -8.042) 9.712 3.405 ( 3.064 0.000 -3.158) 4.400 3.440 ( 5.841 0.000 1.594) 6.055 3.589 ( -12.004 0.000 -0.861) 12.035 3.761 ( 2.874 0.000 7.327) 7.870 3.834 ( -3.973 0.000 -3.718) 5.441 3.891 ( 3.148 0.000 -1.567) 3.517 3.988 ( -3.895 0.000 -1.971) 4.365 4.123 ( -0.011 0.000 -2.119) 2.119 4.129 ( 0.740 0.000 -3.145) 3.231 4.137 ( -5.018 0.000 -2.604) 5.653 4.271 ( 0.418 0.000 3.900) 3.922 4.356 ( -4.385 0.000 4.245) 6.103 4.374 ( 5.276 0.000 -0.944) 5.360 4.522 ( 2.082 0.000 -0.176) 2.090 4.639 ( -3.096 0.000 1.376) 3.388 4.669 ( 3.569 0.000 0.695) 3.636 4.695 ( -8.188 0.000 -0.289) 8.193 4.762 ( 8.401 0.000 -0.040) 8.402 4.784 ( 1.384 0.000 5.556) 5.726 4.957 ( -11.157 0.000 11.421) 15.967 4.959 ( -6.739 0.000 7.257) 9.903 5.060 ( -9.876 0.000 4.405) 10.814 5.140 ( -6.731 0.000 -5.354) 8.601 5.168 ( 2.768 0.000 -11.516) 11.844 5.211 ( -0.948 0.000 14.648) 14.678 5.295 ( -4.725 0.000 2.745) 5.464 5.300 ( -1.217 0.000 -1.260) 1.751 5.557 ( -1.139 0.000 -11.870) 11.924 5.650 ( -2.993 0.000 8.898) 9.388 5.687 ( -2.452 0.000 -3.659) 4.405 5.769 ( 2.583 0.000 8.563) 8.944 5.790 ( 0.992 0.000 4.069) 4.188 5.872 ( -6.298 0.000 2.780) 6.884 5.985 ( -0.843 0.000 -12.284) 12.313 6.052 ( 1.062 0.000 -2.087) 2.341 6.085 ( 2.778 0.000 10.341) 10.707 6.231 ( 8.114 0.000 3.736) 8.933 6.251 ( -3.208 0.000 -9.931) 10.436 6.327 ( 2.471 0.000 -1.436) 2.858 6.394 ( 7.196 0.000 -7.369) 10.300 6.502 ( -4.452 0.000 -6.938) 8.243 6.531 ( -2.515 0.000 -0.133) 2.519 6.715 ( -2.604 0.000 1.066) 2.814 6.733 ( 1.816 0.000 5.479) 5.772 6.760 ( 2.017 0.000 0.344) 2.046 6.955 ( 7.898 0.000 -4.911) 9.301 7.032 ( -2.535 0.000 -0.571) 2.598 7.034 ( -3.883 0.000 5.759) 6.946 7.072 ( -1.099 0.000 3.923) 4.074 7.172 ( 11.847 0.000 -2.364) 12.081 7.334 ( -6.066 0.000 -2.450) 6.542 7.520 ( 15.767 0.000 1.811) 15.870 7.522 ( -1.274 0.000 2.968) 3.230 7.569 ( -1.947 0.000 -2.750) 3.370 7.629 ( 0.496 0.000 0.974) 1.093 7.752 ( 10.593 0.000 1.514) 10.700 7.781 ( -9.962 0.000 -4.273) 10.840 7.868 ( 10.546 0.000 6.354) 12.313 8.130 ( -0.606 0.000 0.842) 1.038 8.148 ( -1.196 0.000 -2.092) 2.409 8.340 ( 2.890 0.000 -3.315) 4.398 8.357 ( 2.432 0.000 -5.110) 5.659 8.383 ( -7.037 0.000 -2.464) 7.456 8.468 ( 4.563 0.000 3.035) 5.480 8.614 ( -1.538 0.000 -0.769) 1.720 8.620 ( 2.716 0.000 2.521) 3.706 8.931 ( 1.467 0.000 3.325) 3.635 8.939 ( -5.861 0.000 -4.682) 7.501 9.094 ( -5.780 0.000 -0.878) 5.847 9.135 ( -3.414 0.000 -0.749) 3.495 9.191 ( 3.880 0.000 1.172) 4.053 9.221 ( 6.169 0.000 0.988) 6.248 9.304 ( 4.006 0.000 -2.655) 4.806 9.318 ( 6.813 0.000 1.737) 7.031 9.746 ( 0.193 0.000 2.482) 2.489 9.788 ( 1.835 0.000 1.594) 2.430 9.897 ( -10.977 0.000 -5.801) 12.415 10.004 ( 6.802 0.000 2.082) 7.114 10.112 ( -4.366 0.000 3.469) 5.576 10.170 ( -0.202 0.000 4.440) 4.445 10.261 ( -0.303 0.000 2.132) 2.153 10.326 ( -4.203 0.000 0.017) 4.203 10.383 ( 3.289 0.000 -4.441) 5.527 10.445 ( 0.108 0.000 -4.864) 4.865 10.686 ( -0.881 0.000 -0.688) 1.117 10.759 ( -1.886 0.000 -0.771) 2.038 10.796 ( 4.618 0.000 -3.914) 6.054 10.818 ( 5.474 0.000 -2.548) 6.038 11.177 ( -2.189 0.000 -0.003) 2.189 11.183 ( -5.973 0.000 2.421) 6.445 11.362 ( -4.960 0.000 6.047) 7.821 11.460 ( -9.316 0.000 -1.980) 9.524 11.606 ( 3.135 0.000 -3.135) 4.433 11.668 ( 7.003 0.000 -0.162) 7.005 11.751 ( 2.919 0.000 3.014) 4.196 11.852 ( 1.617 0.000 8.629) 8.779 11.950 ( 8.216 0.000 0.515) 8.232 12.052 ( 5.710 0.000 -3.431) 6.662 12.445 ( -5.552 0.000 2.754) 6.198 12.586 ( 0.012 0.000 -4.101) 4.101 12.669 ( 3.176 0.000 3.250) 4.544 12.744 ( 2.978 0.000 -4.725) 5.585 13.141 ( -1.983 0.000 2.582) 3.256 13.209 ( -1.551 0.000 -4.183) 4.461 13.287 ( 0.108 0.000 -3.765) 3.766 13.294 ( 4.733 0.000 0.397) 4.749 13.867 ( -4.925 0.000 1.313) 5.097 13.930 ( -1.445 0.000 1.776) 2.290 14.117 ( -2.396 0.000 0.962) 2.582 14.163 ( 1.388 0.000 -3.097) 3.394 14.594 ( -7.066 0.000 2.759) 7.586 14.768 ( 3.968 0.000 -1.575) 4.269 14.777 ( -6.328 0.000 -0.832) 6.383 14.803 ( -2.993 0.000 0.479) 3.031 14.941 ( -3.983 0.000 0.990) 4.104 15.042 ( -6.047 0.000 -6.798) 9.098 15.124 ( -4.839 0.000 4.730) 6.767 15.252 ( 0.746 0.000 -2.202) 2.325 15.358 ( -2.844 0.000 -2.389) 3.714 15.365 ( 1.817 0.000 6.151) 6.414 15.697 ( 1.412 0.000 10.300) 10.397 15.890 ( 1.831 0.000 -3.554) 3.998 16.011 ( -4.782 0.000 6.525) 8.090 16.171 ( -6.088 0.000 -7.662) 9.787 16.423 ( -3.912 0.000 4.551) 6.001 16.589 ( 0.192 0.000 -1.784) 1.794 16.721 ( 1.431 0.000 -9.462) 9.569 16.724 ( 5.021 0.000 0.290) 5.030 17.104 ( -5.897 0.000 5.896) 8.339 17.249 ( -2.976 0.000 -3.675) 4.729 18.227 ( 0.491 0.000 -2.637) 2.682 18.268 ( 7.562 0.000 1.972) 7.814 18.398 ( 0.022 0.000 1.496) 1.496 18.487 ( 5.962 0.000 -2.101) 6.321 18.914 ( 3.061 0.000 1.633) 3.470 18.991 ( 5.715 0.000 -3.108) 6.505 19.241 ( 2.845 0.000 2.081) 3.524 19.287 ( 1.142 0.000 -4.155) 4.309 25.141 ( -0.163 0.000 3.407) 3.411 25.218 ( -0.361 0.000 -4.955) 4.968 25.908 ( -3.389 0.000 8.130) 8.808 26.055 ( -7.022 0.000 -11.391) 13.381 26.893 ( -0.595 0.000 2.379) 2.452 26.986 ( 2.235 0.000 -2.035) 3.023 27.042 ( -0.463 0.000 -2.258) 2.305 27.051 ( 2.045 0.000 0.603) 2.132 27.972 ( -1.023 0.000 -0.346) 1.080 27.985 ( 0.747 0.000 0.223) 0.780 28.367 ( -0.701 0.000 5.548) 5.592 28.445 ( -0.235 0.000 -2.088) 2.101 28.566 ( -2.047 0.000 12.560) 12.725 28.842 ( 0.997 0.000 -12.718) 12.757 28.859 ( -5.236 0.000 10.710) 11.921 29.152 ( -9.202 0.000 -1.708) 9.359 29.218 ( -1.146 0.000 -10.449) 10.512 29.342 ( -3.119 0.000 2.045) 3.730 29.425 ( 7.248 0.000 6.408) 9.674 29.598 ( 5.994 0.000 -3.504) 6.943 29.938 ( -9.184 0.000 -2.271) 9.461 29.950 ( -8.082 0.000 -5.781) 9.937 30.165 ( 8.741 0.000 -0.200) 8.743 30.182 ( 17.251 0.000 6.820) 18.550 30.657 ( 1.113 0.000 5.989) 6.091 30.749 ( -1.648 0.000 -6.448) 6.656 31.032 ( 3.610 0.000 7.992) 8.769 31.108 ( -0.800 0.000 -5.011) 5.074 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -17.152 0.000 17.383) 24.421 1.843 ( -8.943 0.000 12.590) 15.443 1.943 ( -3.755 0.000 -7.576) 8.456 2.202 ( -15.902 0.000 -7.499) 17.582 2.275 ( -7.540 0.000 -10.066) 12.577 2.396 ( 12.184 0.000 2.609) 12.460 2.553 ( 7.433 0.000 -3.954) 8.419 2.598 ( 5.590 0.000 10.666) 12.042 2.687 ( 3.948 0.000 1.507) 4.226 2.740 ( -4.616 0.000 -0.943) 4.712 2.968 ( -9.461 0.000 -1.910) 9.652 3.008 ( -3.862 0.000 7.319) 8.275 3.215 ( -0.476 0.000 -14.343) 14.351 3.249 ( -1.108 0.000 -1.650) 1.988 3.458 ( -4.087 0.000 3.913) 5.658 3.516 ( 7.852 0.000 -6.079) 9.930 3.558 ( 8.878 0.000 0.792) 8.913 3.750 ( -3.816 0.000 -8.515) 9.331 3.807 ( 3.462 0.000 4.991) 6.074 3.809 ( -20.362 0.000 0.709) 20.375 3.900 ( -1.202 0.000 2.028) 2.357 4.003 ( 1.505 0.000 -0.832) 1.720 4.067 ( -6.958 0.000 8.433) 10.933 4.155 ( 1.370 0.000 -3.829) 4.066 4.254 ( -1.819 0.000 2.387) 3.001 4.306 ( -4.244 0.000 3.501) 5.502 4.434 ( -7.756 0.000 -0.675) 7.786 4.462 ( -5.336 0.000 -3.395) 6.325 4.508 ( 7.767 0.000 -2.894) 8.289 4.607 ( -13.159 0.000 0.552) 13.171 4.611 ( -3.549 0.000 3.722) 5.143 4.804 ( -5.156 0.000 -4.605) 6.913 4.806 ( 0.062 0.000 9.961) 9.961 4.842 ( 3.201 0.000 -4.002) 5.125 4.907 ( 2.593 0.000 -2.563) 3.646 5.048 ( 3.668 0.000 6.681) 7.622 5.050 ( -0.775 0.000 -3.064) 3.160 5.174 ( -10.547 0.000 -9.189) 13.989 5.191 ( -3.466 0.000 8.745) 9.407 5.224 ( -4.725 0.000 10.528) 11.540 5.358 ( 4.856 0.000 -4.902) 6.900 5.422 ( -4.551 0.000 -3.937) 6.018 5.456 ( -12.854 0.000 5.951) 14.165 5.601 ( -1.301 0.000 1.780) 2.205 5.618 ( -5.676 0.000 -1.100) 5.781 5.724 ( 1.136 0.000 -0.727) 1.349 5.888 ( -14.702 0.000 -1.307) 14.760 5.899 ( -4.207 0.000 -2.222) 4.758 6.055 ( -0.377 0.000 6.431) 6.442 6.161 ( -8.976 0.000 -6.040) 10.819 6.237 ( 10.019 0.000 1.523) 10.134 6.283 ( -2.222 0.000 5.475) 5.909 6.357 ( 5.739 0.000 1.264) 5.877 6.419 ( 1.038 0.000 -1.611) 1.916 6.551 ( -5.027 0.000 -0.380) 5.041 6.577 ( 10.243 0.000 -12.371) 16.062 6.713 ( 9.877 0.000 -1.096) 9.938 6.738 ( -0.818 0.000 2.680) 2.803 6.877 ( 8.899 0.000 3.544) 9.579 7.026 ( 2.431 0.000 3.736) 4.458 7.046 ( 4.404 0.000 2.406) 5.019 7.112 ( 7.117 0.000 -10.459) 12.651 7.199 ( 8.356 0.000 0.065) 8.357 7.281 ( 2.156 0.000 1.614) 2.693 7.304 ( 2.374 0.000 -4.438) 5.033 7.496 ( -1.778 0.000 3.937) 4.320 7.614 ( 5.481 0.000 -0.600) 5.514 7.625 ( -0.472 0.000 -3.134) 3.169 7.665 ( -0.760 0.000 3.300) 3.386 7.783 ( 8.533 0.000 1.377) 8.644 7.976 ( 5.411 0.000 5.265) 7.550 8.050 ( 8.829 0.000 3.618) 9.541 8.109 ( -0.853 0.000 -6.328) 6.385 8.169 ( 1.710 0.000 -1.561) 2.315 8.240 ( -4.238 0.000 -3.860) 5.733 8.421 ( 5.149 0.000 -2.629) 5.782 8.428 ( 5.793 0.000 -1.360) 5.950 8.520 ( 1.992 0.000 4.808) 5.204 8.612 ( 1.018 0.000 0.623) 1.193 8.672 ( 1.925 0.000 0.201) 1.936 8.833 ( -3.688 0.000 -4.077) 5.498 8.918 ( -2.831 0.000 -0.216) 2.839 9.013 ( -2.920 0.000 1.230) 3.168 9.059 ( -4.891 0.000 -3.112) 5.797 9.231 ( 0.099 0.000 2.767) 2.769 9.318 ( 4.550 0.000 0.804) 4.621 9.421 ( 6.144 0.000 -3.136) 6.898 9.500 ( 9.655 0.000 5.087) 10.913 9.674 ( -9.181 0.000 -6.355) 11.166 9.776 ( 3.204 0.000 -3.170) 4.508 9.846 ( 1.460 0.000 5.106) 5.311 10.008 ( -5.657 0.000 3.572) 6.690 10.079 ( -8.171 0.000 0.030) 8.171 10.113 ( 3.381 0.000 1.428) 3.670 10.264 ( 1.522 0.000 5.010) 5.236 10.283 ( 0.895 0.000 2.430) 2.589 10.434 ( 1.081 0.000 -5.514) 5.619 10.511 ( 7.889 0.000 -5.012) 9.346 10.618 ( -5.526 0.000 1.550) 5.739 10.707 ( -3.343 0.000 3.979) 5.197 10.911 ( -6.903 0.000 3.001) 7.527 10.925 ( 9.133 0.000 -3.530) 9.792 11.026 ( 3.350 0.000 -6.138) 6.992 11.139 ( -2.727 0.000 -0.025) 2.727 11.320 ( 1.894 0.000 2.413) 3.067 11.457 ( 6.481 0.000 2.900) 7.100 11.582 ( 0.566 0.000 0.221) 0.608 11.729 ( 2.548 0.000 -4.354) 5.045 11.842 ( -1.354 0.000 6.019) 6.169 11.925 ( 5.267 0.000 0.691) 5.312 12.155 ( 10.338 0.000 2.282) 10.587 12.206 ( 7.444 0.000 2.281) 7.786 12.368 ( 0.109 0.000 1.009) 1.015 12.566 ( -1.305 0.000 -3.888) 4.101 12.788 ( 8.930 0.000 2.869) 9.380 12.818 ( 3.808 0.000 -1.668) 4.158 13.113 ( -1.534 0.000 2.251) 2.724 13.160 ( -2.965 0.000 -4.885) 5.714 13.244 ( -3.755 0.000 -4.832) 6.119 13.419 ( 7.187 0.000 1.704) 7.386 13.715 ( -12.044 0.000 1.242) 12.107 13.812 ( -10.247 0.000 3.226) 10.742 14.111 ( 3.439 0.000 3.307) 4.771 14.193 ( 1.485 0.000 -4.118) 4.378 14.424 ( -10.358 0.000 0.314) 10.363 14.626 ( -15.906 0.000 5.300) 16.766 14.644 ( -7.369 0.000 -1.752) 7.575 14.743 ( -19.025 0.000 -4.606) 19.574 14.765 ( -5.388 0.000 -4.577) 7.069 14.865 ( -2.684 0.000 1.476) 3.063 15.036 ( -2.586 0.000 3.578) 4.414 15.244 ( -3.304 0.000 -3.649) 4.922 15.342 ( -5.005 0.000 9.369) 10.622 15.372 ( 3.539 0.000 -2.682) 4.440 15.702 ( -3.925 0.000 6.330) 7.449 15.782 ( -10.968 0.000 6.431) 12.714 16.003 ( 3.379 0.000 -3.894) 5.156 16.073 ( -0.625 0.000 -4.064) 4.112 16.367 ( -1.367 0.000 1.805) 2.264 16.544 ( -4.732 0.000 -1.383) 4.930 16.719 ( -1.789 0.000 -12.899) 13.023 16.802 ( 2.113 0.000 1.039) 2.354 16.960 ( -7.825 0.000 2.627) 8.255 17.152 ( -5.664 0.000 -0.354) 5.675 18.314 ( 8.065 0.000 -3.979) 8.993 18.405 ( 5.052 0.000 0.128) 5.054 18.430 ( 2.583 0.000 2.354) 3.495 18.685 ( 13.457 0.000 -1.416) 13.531 19.046 ( 9.396 0.000 1.885) 9.583 19.150 ( 9.741 0.000 -2.831) 10.144 19.323 ( 2.594 0.000 -3.217) 4.133 19.332 ( 6.091 0.000 0.636) 6.125 25.137 ( -0.127 0.000 3.236) 3.239 25.206 ( -0.508 0.000 -5.022) 5.048 25.751 ( -12.241 0.000 7.001) 14.102 25.834 ( -14.564 0.000 -11.108) 18.317 26.915 ( 2.357 0.000 1.491) 2.789 27.000 ( 0.140 0.000 -0.260) 0.295 27.077 ( 3.012 0.000 -2.219) 3.741 27.096 ( 2.339 0.000 1.006) 2.546 27.954 ( -0.624 0.000 -0.465) 0.778 27.982 ( -1.035 0.000 -0.237) 1.061 28.349 ( -1.600 0.000 3.527) 3.872 28.414 ( -3.021 0.000 -2.031) 3.640 28.528 ( -1.663 0.000 11.609) 11.727 28.774 ( -3.921 0.000 6.385) 7.493 28.828 ( -1.962 0.000 -11.189) 11.360 28.937 ( -8.938 0.000 -1.672) 9.093 29.135 ( -8.375 0.000 -4.048) 9.302 29.170 ( -10.935 0.000 5.355) 12.176 29.682 ( 14.939 0.000 9.321) 17.608 29.785 ( 12.261 0.000 -4.551) 13.079 29.812 ( -3.214 0.000 -1.662) 3.619 29.865 ( 0.548 0.000 -13.084) 13.096 30.307 ( 4.098 0.000 0.362) 4.114 30.449 ( 7.266 0.000 2.274) 7.614 30.669 ( -0.831 0.000 4.371) 4.449 30.698 ( -3.834 0.000 -5.589) 6.777 31.160 ( 9.347 0.000 12.144) 15.324 31.178 ( 10.363 0.000 -2.973) 10.781 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -12.532 0.000 22.810) 26.026 1.548 ( -14.484 0.000 26.356) 30.073 1.864 ( -15.432 0.000 8.344) 17.544 2.007 ( 4.086 0.000 -17.280) 17.756 2.129 ( -4.257 0.000 -11.596) 12.353 2.446 ( -16.725 0.000 -4.503) 17.321 2.674 ( 2.523 0.000 -4.005) 4.734 2.680 ( -1.492 0.000 7.253) 7.405 2.733 ( 3.019 0.000 3.361) 4.518 2.776 ( 5.987 0.000 -2.524) 6.498 2.877 ( 11.037 0.000 1.590) 11.151 2.990 ( 1.454 0.000 13.611) 13.688 3.179 ( -7.171 0.000 2.520) 7.601 3.190 ( -5.073 0.000 0.323) 5.083 3.198 ( -4.887 0.000 -8.927) 10.177 3.617 ( 2.391 0.000 -1.115) 2.638 3.654 ( 0.994 0.000 -8.847) 8.903 3.658 ( -2.115 0.000 -2.872) 3.567 3.724 ( -4.244 0.000 1.386) 4.465 3.798 ( -1.584 0.000 12.014) 12.118 3.946 ( 0.184 0.000 4.198) 4.202 3.961 ( 2.090 0.000 -1.156) 2.388 4.027 ( -3.722 0.000 -6.843) 7.790 4.111 ( -3.914 0.000 -1.021) 4.045 4.149 ( -4.453 0.000 2.383) 5.050 4.267 ( -3.931 0.000 -1.959) 4.392 4.296 ( 0.622 0.000 -2.965) 3.029 4.405 ( -7.317 0.000 -3.321) 8.036 4.483 ( 0.967 0.000 -5.201) 5.290 4.506 ( -1.137 0.000 9.393) 9.462 4.586 ( -10.892 0.000 -8.927) 14.083 4.690 ( 7.595 0.000 -3.004) 8.167 4.770 ( -11.458 0.000 -8.895) 14.506 4.889 ( 3.898 0.000 0.681) 3.957 4.937 ( -2.495 0.000 7.243) 7.660 4.978 ( -6.868 0.000 -1.737) 7.084 4.990 ( -3.631 0.000 3.200) 4.840 5.036 ( -2.211 0.000 7.916) 8.219 5.091 ( 1.496 0.000 -7.332) 7.483 5.239 ( 1.444 0.000 12.088) 12.174 5.247 ( -3.221 0.000 2.488) 4.070 5.370 ( -11.346 0.000 7.025) 13.345 5.375 ( 1.291 0.000 1.085) 1.686 5.560 ( 2.108 0.000 -9.238) 9.475 5.656 ( -4.802 0.000 -9.512) 10.656 5.666 ( -7.564 0.000 -4.000) 8.556 5.834 ( 13.925 0.000 -2.978) 14.240 5.844 ( 0.565 0.000 -0.252) 0.619 5.941 ( -8.790 0.000 0.846) 8.831 6.008 ( -4.139 0.000 5.560) 6.932 6.223 ( -3.377 0.000 5.758) 6.675 6.287 ( -2.296 0.000 2.224) 3.197 6.500 ( 7.429 0.000 3.091) 8.046 6.519 ( 1.321 0.000 -5.943) 6.088 6.587 ( 12.502 0.000 2.574) 12.764 6.738 ( 1.379 0.000 -10.406) 10.497 6.751 ( 5.850 0.000 3.186) 6.661 6.874 ( 5.111 0.000 -1.295) 5.272 6.989 ( 0.667 0.000 2.671) 2.753 7.073 ( 1.404 0.000 -2.889) 3.212 7.137 ( 4.098 0.000 3.367) 5.304 7.224 ( 5.629 0.000 -9.789) 11.292 7.278 ( 4.754 0.000 7.783) 9.120 7.359 ( 2.847 0.000 -2.808) 3.998 7.373 ( 0.618 0.000 1.112) 1.273 7.553 ( 8.600 0.000 0.893) 8.647 7.631 ( -0.948 0.000 6.440) 6.510 7.673 ( -1.059 0.000 -5.297) 5.402 7.758 ( 11.128 0.000 0.236) 11.131 7.796 ( -5.160 0.000 0.416) 5.177 7.923 ( -6.591 0.000 -4.035) 7.728 8.009 ( -4.570 0.000 2.263) 5.099 8.165 ( -2.295 0.000 -1.216) 2.597 8.205 ( 2.741 0.000 -3.049) 4.100 8.300 ( 5.617 0.000 -4.953) 7.489 8.466 ( -2.661 0.000 4.511) 5.238 8.540 ( 2.364 0.000 2.061) 3.136 8.611 ( 4.928 0.000 -0.504) 4.954 8.647 ( 3.414 0.000 -0.059) 3.414 8.681 ( -0.185 0.000 -2.617) 2.624 8.815 ( 1.374 0.000 2.980) 3.282 8.875 ( 0.857 0.000 -2.341) 2.493 8.941 ( -4.897 0.000 -4.225) 6.467 8.974 ( -1.155 0.000 2.739) 2.972 9.238 ( 1.623 0.000 2.518) 2.996 9.399 ( 3.601 0.000 1.416) 3.870 9.497 ( 0.697 0.000 0.583) 0.909 9.517 ( -6.840 0.000 -3.181) 7.544 9.659 ( 6.002 0.000 4.451) 7.473 9.842 ( 2.617 0.000 -9.107) 9.476 9.891 ( 4.775 0.000 6.473) 8.044 9.934 ( -1.340 0.000 0.125) 1.346 9.941 ( -5.796 0.000 0.907) 5.867 10.137 ( -0.404 0.000 -1.087) 1.160 10.271 ( -0.146 0.000 1.057) 1.067 10.345 ( 5.286 0.000 4.017) 6.639 10.445 ( -9.073 0.000 5.424) 10.571 10.503 ( 4.044 0.000 -2.245) 4.626 10.631 ( -4.311 0.000 4.198) 6.017 10.690 ( -1.222 0.000 -6.529) 6.643 10.756 ( 4.799 0.000 -0.082) 4.800 11.027 ( -5.627 0.000 0.287) 5.634 11.183 ( 12.713 0.000 0.724) 12.733 11.212 ( 11.170 0.000 -2.837) 11.525 11.439 ( 8.881 0.000 0.127) 8.882 11.641 ( 3.439 0.000 -1.886) 3.922 11.675 ( 15.195 0.000 4.664) 15.895 11.780 ( 3.186 0.000 -2.953) 4.344 11.813 ( -1.784 0.000 4.926) 5.240 11.947 ( -1.433 0.000 -1.255) 1.905 12.227 ( -1.315 0.000 6.897) 7.021 12.331 ( 7.446 0.000 -0.280) 7.452 12.482 ( 5.600 0.000 -0.823) 5.660 12.566 ( 2.878 0.000 -4.134) 5.037 12.862 ( 1.543 0.000 4.455) 4.715 12.986 ( 8.407 0.000 1.813) 8.600 13.026 ( -5.810 0.000 -3.695) 6.885 13.076 ( -6.301 0.000 -5.224) 8.185 13.256 ( 6.974 0.000 4.233) 8.158 13.449 ( -13.355 0.000 3.370) 13.774 13.464 ( -7.468 0.000 0.234) 7.472 13.639 ( -4.428 0.000 0.478) 4.454 14.149 ( -6.821 0.000 -5.305) 8.641 14.183 ( -9.195 0.000 6.667) 11.358 14.189 ( -13.322 0.000 -1.341) 13.390 14.245 ( -9.951 0.000 0.065) 9.951 14.408 ( -5.195 0.000 1.252) 5.344 14.609 ( -7.885 0.000 -5.818) 9.799 14.617 ( 1.227 0.000 0.451) 1.307 14.819 ( -2.715 0.000 2.987) 4.036 15.050 ( 3.025 0.000 2.843) 4.152 15.137 ( -6.789 0.000 -3.807) 7.783 15.164 ( -11.980 0.000 7.049) 13.900 15.392 ( -3.856 0.000 -4.857) 6.202 15.600 ( -2.666 0.000 3.055) 4.055 15.622 ( -4.672 0.000 3.149) 5.634 16.072 ( 3.982 0.000 -1.824) 4.380 16.146 ( 6.003 0.000 1.329) 6.148 16.368 ( 0.515 0.000 -0.374) 0.636 16.393 ( -9.707 0.000 -4.928) 10.887 16.677 ( -1.265 0.000 -6.974) 7.088 16.734 ( -8.016 0.000 2.748) 8.473 16.899 ( 1.405 0.000 -1.230) 1.867 17.039 ( -6.174 0.000 0.648) 6.208 18.446 ( 2.796 0.000 -0.057) 2.796 18.467 ( 1.715 0.000 0.167) 1.723 18.545 ( 10.563 0.000 0.170) 10.564 18.894 ( 4.612 0.000 -6.493) 7.964 19.230 ( 8.002 0.000 2.657) 8.432 19.321 ( 6.626 0.000 -2.942) 7.250 19.399 ( 5.806 0.000 0.802) 5.861 19.454 ( 5.542 0.000 -0.719) 5.589 25.149 ( 1.618 0.000 2.577) 3.043 25.204 ( 0.958 0.000 -4.108) 4.218 25.485 ( -13.922 0.000 4.062) 14.502 25.512 ( -16.348 0.000 -6.394) 17.554 26.968 ( 2.578 0.000 0.772) 2.691 27.011 ( 0.924 0.000 -0.385) 1.001 27.129 ( 2.204 0.000 -1.011) 2.425 27.135 ( 1.389 0.000 1.028) 1.728 27.948 ( -0.042 0.000 -0.188) 0.192 27.956 ( -1.172 0.000 -0.084) 1.175 28.303 ( -2.972 0.000 1.213) 3.210 28.335 ( -4.243 0.000 -1.638) 4.548 28.530 ( 1.464 0.000 10.303) 10.407 28.709 ( -3.305 0.000 4.778) 5.810 28.740 ( -4.680 0.000 -3.089) 5.608 28.850 ( -2.090 0.000 -9.715) 9.937 28.968 ( -6.431 0.000 -0.673) 6.467 28.969 ( -8.551 0.000 3.857) 9.380 29.780 ( -0.623 0.000 2.961) 3.026 29.903 ( 2.953 0.000 -13.254) 13.579 29.993 ( 15.014 0.000 8.499) 17.253 30.035 ( 12.424 0.000 -5.904) 13.755 30.350 ( 1.554 0.000 0.868) 1.780 30.469 ( -3.011 0.000 -2.430) 3.869 30.574 ( -8.294 0.000 -2.757) 8.741 30.609 ( -5.434 0.000 1.398) 5.611 31.362 ( 8.669 0.000 16.921) 19.013 31.500 ( 19.442 0.000 -5.824) 20.296 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.962 -1.257 30.457) 30.498 1.536 ( 10.347 12.422 25.680) 30.345 1.831 ( 4.298 -7.520 -22.156) 23.789 1.980 ( -11.414 4.750 -17.263) 21.233 2.252 ( 2.836 22.119 14.942) 26.843 2.451 ( -0.520 13.174 -7.997) 15.420 2.611 ( 0.168 0.158 1.053) 1.078 2.641 ( -4.981 2.690 -1.265) 5.800 2.849 ( 5.126 -0.595 3.961) 6.505 2.865 ( -0.943 7.715 4.237) 8.853 2.984 ( 5.055 1.135 4.609) 6.934 3.088 ( -4.603 1.111 -3.225) 5.729 3.156 ( 2.987 5.102 13.408) 14.654 3.259 ( 7.870 8.816 -0.950) 11.856 3.407 ( -6.406 6.713 -2.089) 9.512 3.510 ( -6.197 3.776 -0.893) 7.312 3.658 ( 7.424 -3.342 3.667) 8.930 3.686 ( -1.684 -0.750 -1.402) 2.316 3.714 ( 0.391 2.554 0.406) 2.615 3.773 ( -0.686 -0.077 0.991) 1.208 3.835 ( -4.829 -2.036 -8.721) 10.174 3.869 ( 1.444 -1.072 -1.596) 2.405 3.986 ( 2.266 -0.354 -2.881) 3.682 4.047 ( -3.434 -2.051 -3.267) 5.164 4.210 ( 1.203 5.607 2.488) 6.251 4.228 ( 0.088 0.282 -0.881) 0.930 4.317 ( -0.407 -0.039 -2.995) 3.023 4.327 ( -5.328 -0.496 3.714) 6.514 4.447 ( -0.502 1.027 2.903) 3.120 4.529 ( -1.455 0.611 -4.550) 4.816 4.576 ( 2.863 -1.462 -2.721) 4.212 4.616 ( 2.534 2.783 -5.147) 6.376 4.757 ( 0.031 -3.753 2.183) 4.342 4.793 ( -1.577 -1.337 5.872) 6.225 4.806 ( -0.440 -2.449 -0.658) 2.574 4.895 ( 1.415 -2.204 -2.056) 3.330 4.994 ( 0.779 1.472 6.642) 6.848 5.037 ( 0.617 -6.044 2.857) 6.713 5.140 ( -0.859 -1.577 -1.232) 2.177 5.164 ( 1.009 2.702 -4.265) 5.149 5.328 ( 4.736 2.946 7.858) 9.636 5.377 ( 0.010 -1.114 1.567) 1.923 5.439 ( -5.353 -2.238 -4.793) 7.526 5.469 ( 3.125 0.604 -2.687) 4.166 5.570 ( -0.839 8.253 -4.941) 9.655 5.613 ( -5.374 2.007 -8.319) 10.105 5.859 ( 1.796 2.209 0.743) 2.942 5.907 ( -4.072 3.669 -3.028) 6.262 5.999 ( 0.102 2.004 7.288) 7.559 6.093 ( 4.351 3.067 -1.680) 5.582 6.235 ( -0.840 3.303 6.269) 7.135 6.312 ( 3.014 5.785 0.003) 6.523 6.492 ( -1.518 -2.667 -4.274) 5.261 6.553 ( -0.194 -5.093 -7.180) 8.805 6.691 ( 3.411 -3.499 0.841) 4.958 6.737 ( -1.779 0.654 -3.126) 3.656 6.850 ( -2.734 -2.666 4.335) 5.777 6.884 ( 4.201 -5.779 -1.273) 7.257 6.955 ( -3.729 -0.299 4.207) 5.630 7.071 ( 2.094 -0.379 -2.116) 3.001 7.168 ( 5.462 -4.239 2.587) 7.382 7.201 ( -5.592 -0.892 -4.480) 7.221 7.265 ( 2.498 -2.203 2.260) 4.025 7.307 ( 0.630 -3.723 -1.078) 3.927 7.436 ( 3.354 -2.963 1.792) 4.821 7.523 ( -3.516 -5.658 -6.066) 9.009 7.660 ( 0.141 1.556 0.879) 1.792 7.673 ( -4.928 2.631 -0.886) 5.656 7.745 ( 1.235 -0.032 5.031) 5.181 7.836 ( -0.574 -1.479 -2.378) 2.858 7.906 ( -2.195 -3.303 -0.268) 3.974 7.933 ( 2.634 -1.781 -3.058) 4.412 8.150 ( -4.788 2.455 2.375) 5.881 8.173 ( 1.932 3.898 1.030) 4.471 8.402 ( 0.135 0.982 3.100) 3.254 8.419 ( -2.742 1.043 3.475) 4.548 8.515 ( 1.650 -4.438 1.401) 4.938 8.581 ( -1.027 -2.817 -3.540) 4.639 8.659 ( 0.654 -0.995 0.128) 1.197 8.688 ( 0.698 -0.372 -2.688) 2.802 8.765 ( -3.987 -0.244 3.270) 5.162 8.844 ( 4.090 -2.193 -3.787) 5.990 9.024 ( -2.774 3.532 2.097) 4.956 9.084 ( 5.605 1.520 -3.243) 6.652 9.187 ( 2.881 -7.407 6.289) 10.135 9.304 ( -6.591 -4.925 -4.631) 9.441 9.399 ( -0.881 -1.360 2.470) 2.954 9.432 ( 1.365 -0.538 0.494) 1.549 9.717 ( -2.309 -2.264 4.039) 5.174 9.794 ( 1.925 -4.298 -4.314) 6.386 9.992 ( 1.558 6.988 0.726) 7.197 10.033 ( -3.076 6.180 0.439) 6.917 10.103 ( 2.267 8.371 3.815) 9.475 10.236 ( -0.491 9.872 -6.992) 12.107 10.293 ( -5.659 0.319 2.038) 6.023 10.318 ( 6.839 -1.540 0.977) 7.078 10.454 ( 4.969 -0.555 3.910) 6.348 10.505 ( -1.812 0.158 -1.696) 2.487 10.582 ( -0.774 -1.612 0.403) 1.833 10.602 ( 1.632 -0.391 -1.682) 2.376 10.895 ( -7.514 2.517 2.224) 8.230 10.973 ( 6.346 2.520 -4.722) 8.302 11.294 ( -3.318 -2.107 4.804) 6.207 11.335 ( -1.203 -1.896 1.178) 2.535 11.574 ( 4.661 -1.350 1.588) 5.106 11.619 ( -3.234 -1.584 -2.421) 4.339 11.766 ( 1.158 -3.276 2.395) 4.220 11.780 ( 0.307 -4.537 1.891) 4.925 11.835 ( 1.937 -4.065 -3.994) 6.019 11.879 ( -1.576 -4.815 -4.958) 7.089 12.219 ( 0.421 -1.702 8.162) 8.348 12.371 ( -0.108 -5.371 -4.919) 7.284 12.467 ( -0.638 -1.275 -1.444) 2.029 12.522 ( -3.718 -3.130 -4.771) 6.810 12.934 ( 0.482 0.834 1.486) 1.772 12.963 ( -2.570 0.605 -1.405) 2.991 13.061 ( 6.331 -1.834 0.838) 6.644 13.080 ( -3.325 -3.724 -1.106) 5.114 13.258 ( 2.383 0.573 1.614) 2.935 13.288 ( 8.187 0.338 -1.005) 8.255 13.503 ( 3.828 4.548 3.790) 7.050 13.576 ( -3.464 2.426 -4.213) 5.969 13.942 ( 1.977 0.611 0.880) 2.249 13.967 ( -3.832 1.573 -1.355) 4.358 14.178 ( 2.480 2.248 2.622) 4.252 14.217 ( -3.385 1.570 -1.339) 3.964 14.443 ( 8.121 -0.301 6.879) 10.647 14.545 ( -4.087 0.427 -4.086) 5.795 14.739 ( -2.930 3.956 0.418) 4.941 14.787 ( 3.607 2.501 -3.417) 5.563 14.970 ( 0.100 -2.273 0.307) 2.296 14.986 ( -1.675 -3.283 -1.781) 4.093 15.152 ( 2.963 -1.442 3.192) 4.588 15.217 ( -2.294 -2.600 -3.002) 4.586 15.662 ( -1.139 5.316 3.763) 6.612 15.698 ( 1.723 7.165 -0.333) 7.377 16.091 ( -1.973 -3.231 0.082) 3.787 16.115 ( 1.291 -3.197 -2.057) 4.015 16.348 ( 4.940 3.916 3.565) 7.242 16.417 ( -5.310 3.237 -3.218) 7.002 16.560 ( -2.131 -4.348 2.221) 5.327 16.604 ( 0.449 -6.263 -1.940) 6.572 16.961 ( -3.848 3.124 2.212) 5.427 16.982 ( 2.096 2.683 -0.024) 3.405 18.481 ( -0.475 0.754 0.956) 1.307 18.486 ( 0.226 0.699 0.453) 0.863 18.693 ( 3.378 -3.112 3.019) 5.496 18.756 ( -5.947 -4.326 -3.206) 8.022 19.336 ( 0.330 1.429 2.955) 3.299 19.398 ( -0.374 1.344 -3.174) 3.467 19.461 ( 1.119 -2.232 1.664) 3.000 19.494 ( -0.536 -1.411 -1.679) 2.258 25.212 ( 1.070 0.834 1.834) 2.281 25.249 ( -1.342 0.644 -1.792) 2.330 25.278 ( -2.062 -0.246 1.540) 2.585 25.312 ( 2.729 -0.512 -1.776) 3.297 26.996 ( -1.224 -0.615 -0.228) 1.389 27.006 ( 1.698 -0.970 -1.380) 2.394 27.146 ( -2.094 0.234 1.189) 2.419 27.179 ( 2.590 0.824 -2.321) 3.574 28.051 ( 0.156 8.833 0.579) 8.853 28.064 ( -0.626 9.329 -0.682) 9.375 28.260 ( -0.712 0.092 2.046) 2.168 28.294 ( 0.028 0.593 -1.450) 1.567 28.588 ( 2.721 0.046 9.357) 9.745 28.645 ( -1.179 0.220 4.959) 5.102 28.730 ( 0.691 2.465 -4.252) 4.963 28.768 ( -2.059 -1.520 -4.780) 5.422 28.885 ( -1.484 0.284 1.964) 2.479 28.940 ( 2.792 0.260 -3.488) 4.475 29.774 ( -2.587 2.061 2.623) 4.222 29.917 ( 0.084 -1.195 -11.379) 11.442 30.136 ( -4.217 0.143 3.784) 5.668 30.209 ( 4.549 -1.751 -3.214) 5.839 30.405 ( 1.614 0.352 1.181) 2.031 30.428 ( -3.310 -0.264 -1.110) 3.501 30.467 ( 5.126 0.160 -0.033) 5.129 30.480 ( -3.892 0.037 -1.411) 4.140 31.392 ( -1.735 -4.152 15.246) 15.896 31.623 ( 3.267 -11.633 -7.644) 14.298 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 11.029 1.326 21.660) 24.343 1.728 ( 6.629 7.579 4.095) 10.870 1.901 ( 7.677 6.917 0.674) 10.356 1.991 ( 8.074 -1.877 -16.603) 18.558 2.411 ( 8.583 7.944 5.105) 12.761 2.480 ( 1.450 13.056 -5.769) 14.347 2.585 ( 0.409 1.008 0.524) 1.208 2.672 ( 3.058 -0.149 5.125) 5.970 2.842 ( -2.926 5.696 -2.906) 7.032 2.891 ( -3.599 2.261 -0.265) 4.258 3.017 ( -0.962 3.671 2.031) 4.305 3.031 ( 0.821 2.660 2.682) 3.866 3.193 ( -2.959 7.195 7.405) 10.740 3.277 ( 1.900 2.069 -1.217) 3.061 3.356 ( -0.673 6.778 0.241) 6.816 3.370 ( -0.842 2.568 -4.354) 5.124 3.615 ( -1.448 1.579 0.566) 2.216 3.682 ( 3.417 2.106 -6.064) 7.272 3.822 ( 3.646 -0.443 1.797) 4.089 3.856 ( 1.659 -0.246 -2.037) 2.639 3.908 ( 2.887 -2.768 7.344) 8.362 3.961 ( -1.190 -2.214 -3.920) 4.657 4.008 ( 8.531 -3.828 -1.759) 9.514 4.074 ( 9.864 -2.617 -0.387) 10.212 4.212 ( -3.983 3.771 4.701) 7.224 4.234 ( 2.810 0.370 3.673) 4.639 4.262 ( 0.405 3.102 -3.834) 4.948 4.381 ( 11.748 1.098 6.836) 13.637 4.463 ( 4.183 2.352 -7.080) 8.553 4.529 ( -2.643 0.911 -3.997) 4.878 4.612 ( -2.489 -2.753 -0.706) 3.778 4.645 ( 4.744 6.522 0.863) 8.111 4.700 ( 0.066 1.143 -0.969) 1.500 4.820 ( 2.315 -1.456 2.917) 3.998 4.917 ( 1.706 -2.167 2.989) 4.067 4.948 ( 5.832 -3.019 -0.565) 6.591 4.989 ( -1.481 2.365 6.859) 7.405 5.098 ( -2.100 -0.696 -1.974) 2.965 5.190 ( 9.390 -4.258 -0.350) 10.316 5.240 ( 11.334 -1.842 -4.783) 12.439 5.319 ( -3.051 2.815 -0.239) 4.158 5.395 ( 1.526 1.184 3.772) 4.237 5.426 ( 2.726 -0.624 5.221) 5.923 5.503 ( 2.666 -2.299 -6.557) 7.442 5.585 ( 2.038 5.440 -8.476) 10.276 5.656 ( 5.804 5.861 2.553) 8.634 5.823 ( -4.495 2.774 2.659) 5.914 5.884 ( -0.477 -2.485 1.679) 3.036 5.971 ( -1.789 5.413 -3.295) 6.584 6.122 ( 0.740 -0.316 1.101) 1.363 6.257 ( 2.466 0.615 0.393) 2.572 6.292 ( -2.045 -0.682 7.708) 8.004 6.461 ( -3.467 -1.340 -9.324) 10.038 6.526 ( -0.947 -3.046 -4.128) 5.217 6.610 ( -8.026 -0.631 -1.074) 8.122 6.651 ( -7.917 -3.719 -2.631) 9.134 6.745 ( -8.112 -3.779 -2.203) 9.216 6.869 ( 1.848 -0.294 6.381) 6.650 6.985 ( -9.961 -4.808 1.977) 11.236 7.044 ( -1.021 0.816 -4.117) 4.320 7.054 ( -2.519 -3.801 4.071) 6.113 7.243 ( 0.009 3.779 -2.931) 4.782 7.266 ( -4.099 -2.569 -2.571) 5.478 7.323 ( 0.601 -4.035 -3.953) 5.681 7.399 ( -7.458 -0.945 0.509) 7.535 7.490 ( 0.440 -5.163 -2.132) 5.603 7.591 ( 0.517 1.312 2.447) 2.824 7.717 ( 2.482 -2.838 5.319) 6.519 7.740 ( -6.305 -1.551 -3.094) 7.192 7.782 ( -2.143 -2.945 1.866) 4.093 7.866 ( 0.799 1.928 -1.270) 2.443 7.959 ( 2.102 1.520 1.835) 3.177 8.125 ( 0.142 1.531 4.105) 4.383 8.185 ( -2.964 3.813 3.224) 5.807 8.304 ( -2.833 0.299 -0.617) 2.914 8.461 ( -0.494 -1.320 4.811) 5.013 8.555 ( -1.737 -3.609 -0.611) 4.052 8.585 ( 0.294 -1.666 0.130) 1.697 8.642 ( 0.708 -5.898 -0.884) 6.006 8.659 ( -4.733 -0.454 1.768) 5.073 8.702 ( 0.970 1.836 -3.394) 3.979 8.874 ( -0.289 -0.418 -0.767) 0.920 9.002 ( 1.402 1.572 -2.849) 3.543 9.133 ( -1.544 4.595 -4.554) 6.651 9.199 ( 2.069 -4.667 0.499) 5.129 9.278 ( 1.636 -5.501 4.804) 7.485 9.364 ( -3.833 -2.873 3.410) 5.880 9.484 ( 2.795 -1.261 -0.632) 3.131 9.654 ( -2.383 -1.529 2.177) 3.572 9.866 ( 3.208 1.879 0.614) 3.768 9.977 ( -2.302 2.345 -3.516) 4.812 9.990 ( 0.574 6.765 1.796) 7.023 10.158 ( -2.334 6.547 -1.626) 7.138 10.182 ( 1.530 5.380 1.181) 5.716 10.218 ( -1.047 1.101 -1.047) 1.845 10.403 ( -3.766 -1.462 2.442) 4.721 10.476 ( 1.903 1.623 -2.835) 3.780 10.491 ( 1.857 0.190 -2.003) 2.738 10.617 ( 1.653 -0.639 0.840) 1.962 10.685 ( 1.831 2.750 2.609) 4.210 10.801 ( 2.079 1.767 -2.099) 3.442 11.045 ( -4.559 -2.491 1.773) 5.490 11.111 ( -9.942 0.487 2.070) 10.167 11.141 ( -9.535 -0.645 1.953) 9.754 11.487 ( -7.902 -0.434 -4.371) 9.041 11.605 ( -2.173 -0.238 0.357) 2.215 11.686 ( -6.078 -5.663 4.521) 9.458 11.745 ( -9.229 -1.785 -4.551) 10.444 11.829 ( 2.826 -5.219 0.318) 5.943 11.882 ( 1.309 -2.913 -4.462) 5.487 12.193 ( -4.336 -4.091 7.746) 9.774 12.296 ( -5.301 -6.696 -0.484) 8.554 12.449 ( -2.164 -0.112 -0.572) 2.241 12.485 ( 1.855 0.272 -2.008) 2.747 12.928 ( 0.895 0.683 1.909) 2.216 12.979 ( -3.104 1.805 -1.222) 3.793 13.083 ( 6.906 3.624 0.504) 7.815 13.093 ( -6.249 2.576 -2.407) 7.175 13.270 ( 3.432 -5.330 -2.798) 6.930 13.435 ( -2.206 -2.493 -4.273) 5.417 13.586 ( 7.769 3.941 -5.159) 10.124 13.657 ( 11.731 2.318 0.540) 11.970 14.030 ( 5.038 -2.438 3.799) 6.765 14.152 ( 2.958 -2.762 -1.334) 4.261 14.204 ( 5.661 0.055 0.938) 5.738 14.311 ( 17.516 -2.339 -0.628) 17.683 14.448 ( 2.128 0.006 -0.655) 2.226 14.639 ( 3.774 8.387 -5.553) 10.743 14.735 ( 7.507 4.966 1.096) 9.068 14.881 ( 1.305 -1.107 -4.306) 4.633 15.005 ( 7.435 -4.946 3.462) 9.577 15.074 ( -0.114 -0.491 -1.029) 1.146 15.151 ( 8.532 -7.218 2.183) 11.387 15.362 ( 11.007 -0.474 -5.723) 12.415 15.635 ( -0.959 5.116 3.073) 6.045 15.743 ( 2.131 1.775 0.037) 2.774 16.048 ( -0.091 0.540 -0.114) 0.559 16.197 ( -2.232 -3.154 -2.850) 4.801 16.240 ( -0.604 2.418 0.825) 2.626 16.458 ( 3.046 2.274 0.198) 3.806 16.551 ( -0.123 -1.334 2.423) 2.768 16.712 ( 10.048 -5.911 0.098) 11.658 16.919 ( 0.046 4.715 2.343) 5.265 17.050 ( 4.121 1.230 1.640) 4.602 18.420 ( -6.131 0.431 1.419) 6.308 18.476 ( -1.815 1.013 0.787) 2.222 18.571 ( -7.294 0.670 -0.734) 7.361 18.732 ( -2.907 -4.025 3.525) 6.088 19.269 ( -7.080 0.768 2.371) 7.506 19.303 ( -8.647 1.295 -1.933) 8.954 19.408 ( -6.625 -1.455 -1.822) 7.024 19.426 ( -4.359 -1.532 0.055) 4.620 25.161 ( -2.011 2.014 2.172) 3.581 25.227 ( -0.127 1.740 -3.184) 3.630 25.390 ( 9.336 -3.371 2.675) 10.280 25.508 ( 13.526 -6.193 -4.221) 15.464 26.972 ( -1.044 -0.415 -0.793) 1.375 27.022 ( -0.204 -0.381 -0.661) 0.790 27.102 ( -2.005 1.172 0.182) 2.329 27.209 ( 0.420 1.953 -2.784) 3.427 28.044 ( -0.501 8.513 0.937) 8.579 28.068 ( 0.888 9.493 0.077) 9.535 28.285 ( 2.520 -0.108 3.372) 4.212 28.340 ( 4.224 1.020 -1.137) 4.491 28.610 ( -0.544 1.564 11.355) 11.475 28.674 ( 2.982 -1.139 -0.348) 3.211 28.757 ( 3.465 -0.103 -6.754) 7.592 28.832 ( 6.280 4.757 -2.436) 8.246 28.920 ( 5.335 -2.664 1.591) 6.171 29.042 ( 8.245 -1.179 -3.338) 8.973 29.689 ( -5.870 2.950 8.107) 10.435 29.880 ( -3.527 -0.755 -8.174) 8.934 29.935 ( -12.160 0.244 3.027) 12.533 30.097 ( -12.213 -4.672 -5.633) 14.237 30.383 ( -2.083 1.084 -0.803) 2.482 30.422 ( 2.574 0.391 1.873) 3.207 30.558 ( 6.326 1.159 0.091) 6.432 30.645 ( 9.145 0.268 -1.431) 9.261 31.249 ( -12.412 -3.529 12.125) 17.706 31.516 ( -11.898 -10.602 -6.533) 17.224 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 11.982 3.161 8.298) 14.914 1.938 ( 13.717 -0.072 -5.687) 14.850 2.063 ( 7.064 11.584 14.448) 19.821 2.165 ( 9.413 1.368 -6.998) 11.809 2.371 ( -4.879 5.128 -0.061) 7.078 2.446 ( -3.634 0.269 2.223) 4.268 2.528 ( -7.038 8.347 -4.092) 11.660 2.738 ( -0.933 0.901 0.239) 1.319 2.799 ( -3.728 2.858 -2.082) 5.138 2.919 ( 7.580 6.377 -1.386) 10.002 2.991 ( -2.921 5.158 -3.748) 7.013 3.031 ( 1.859 3.740 8.511) 9.480 3.178 ( 1.239 0.702 -7.228) 7.367 3.278 ( 3.642 3.521 -5.799) 7.700 3.327 ( -0.590 -0.534 6.962) 7.007 3.543 ( -3.413 2.618 7.975) 9.061 3.609 ( 3.917 1.435 -10.969) 11.736 3.667 ( -0.319 -2.478 -1.974) 3.184 3.796 ( 5.489 -4.101 -3.512) 7.699 3.884 ( 2.493 -1.291 1.284) 3.087 3.927 ( -3.440 6.238 5.245) 8.847 4.028 ( 1.561 -0.877 -3.141) 3.615 4.090 ( 0.786 0.193 -5.398) 5.459 4.144 ( -2.774 -0.640 2.259) 3.634 4.274 ( 10.029 -1.511 0.396) 10.150 4.312 ( 2.358 2.249 2.167) 3.914 4.371 ( 6.030 -1.467 -1.239) 6.329 4.502 ( 0.539 2.365 1.680) 2.951 4.568 ( -0.356 5.310 -0.852) 5.390 4.600 ( 10.421 0.724 -2.719) 10.795 4.666 ( 1.071 1.549 2.903) 3.460 4.736 ( -1.902 2.224 3.791) 4.788 4.773 ( 14.057 3.377 11.007) 18.170 4.833 ( 9.776 3.801 -0.449) 10.499 4.925 ( 2.656 1.652 8.297) 8.867 4.956 ( 4.284 -3.377 -3.214) 6.331 5.013 ( 0.202 -3.863 -0.576) 3.911 5.245 ( 8.290 -2.278 2.309) 8.902 5.276 ( -1.086 5.825 -2.652) 6.492 5.341 ( -3.066 0.701 1.498) 3.484 5.361 ( 2.086 1.190 -7.188) 7.578 5.442 ( 1.902 4.097 -3.903) 5.970 5.469 ( 2.496 -6.476 4.462) 8.251 5.573 ( 7.061 0.868 -2.585) 7.569 5.661 ( 7.087 -1.060 1.190) 7.264 5.726 ( 0.657 -0.329 -1.966) 2.099 5.810 ( 9.031 7.021 1.941) 11.603 5.846 ( 2.272 -2.173 -1.020) 3.306 6.086 ( 4.769 -2.174 -1.253) 5.389 6.150 ( 2.687 0.367 6.605) 7.140 6.235 ( -4.344 -4.047 1.041) 6.028 6.302 ( -2.944 -4.476 10.046) 11.385 6.304 ( -11.360 -6.504 -10.482) 16.770 6.420 ( -3.515 5.426 -1.312) 6.597 6.515 ( -2.739 -1.056 -5.180) 5.954 6.531 ( -9.021 -3.816 -0.994) 9.846 6.618 ( 2.875 0.705 -0.872) 3.086 6.802 ( -5.992 -6.335 2.033) 8.954 6.898 ( 1.348 -0.447 0.553) 1.524 6.970 ( -6.037 1.029 7.042) 9.332 7.040 ( -2.385 -1.897 -0.422) 3.077 7.137 ( -8.600 -1.731 -2.104) 9.021 7.144 ( -7.080 -0.131 -1.806) 7.308 7.228 ( -5.068 -0.185 -5.139) 7.221 7.320 ( -2.525 -0.955 1.445) 3.062 7.519 ( -0.089 -2.649 -0.922) 2.807 7.550 ( -3.993 -3.682 -0.477) 5.453 7.627 ( -3.415 -1.690 1.097) 3.965 7.691 ( -4.598 -0.811 -2.763) 5.425 7.740 ( -1.613 -0.950 2.116) 2.825 7.936 ( -0.756 2.195 2.693) 3.556 8.004 ( -3.503 -2.766 4.114) 6.070 8.073 ( 3.634 3.036 1.349) 4.924 8.165 ( 1.450 3.303 3.000) 4.691 8.284 ( -0.586 -1.349 -5.385) 5.582 8.393 ( -3.244 -0.637 2.028) 3.879 8.439 ( -8.627 -0.905 -4.440) 9.745 8.510 ( -4.723 -1.439 2.751) 5.653 8.614 ( -1.675 -0.513 -0.936) 1.986 8.675 ( -0.572 -3.042 -0.197) 3.102 8.761 ( 5.030 -0.159 0.083) 5.033 8.911 ( 4.451 -0.895 0.462) 4.564 9.054 ( 2.814 1.492 -2.349) 3.958 9.115 ( 0.590 2.468 -3.677) 4.468 9.234 ( -0.209 -0.022 2.605) 2.614 9.260 ( -4.311 -5.041 5.447) 8.583 9.303 ( -1.327 -1.185 -0.879) 1.985 9.455 ( -6.228 -6.265 -1.822) 9.020 9.658 ( 2.641 2.897 0.764) 3.994 9.853 ( -2.603 9.432 2.831) 10.186 9.975 ( 0.056 -1.277 -3.164) 3.412 10.037 ( 1.286 2.014 -1.975) 3.100 10.104 ( 0.313 3.350 3.637) 4.954 10.193 ( 2.677 -1.457 -1.473) 3.385 10.287 ( 3.416 2.958 -0.690) 4.572 10.317 ( -2.906 2.303 0.365) 3.726 10.468 ( -0.642 6.673 -5.929) 8.949 10.498 ( -5.054 5.480 7.060) 10.267 10.618 ( 3.188 -4.404 -0.857) 5.504 10.726 ( 1.463 -1.542 0.257) 2.141 10.813 ( -5.532 -2.961 2.531) 6.765 10.848 ( -7.924 -3.024 2.313) 8.791 11.041 ( 8.277 2.207 -2.195) 8.843 11.174 ( 3.745 0.192 -2.386) 4.445 11.393 ( -0.756 -0.474 -4.395) 4.484 11.482 ( -10.125 -2.111 -3.492) 10.916 11.592 ( -2.155 2.403 0.584) 3.281 11.618 ( -2.100 -1.863 4.288) 5.125 11.832 ( -3.278 -7.259 0.691) 7.995 11.908 ( 1.720 -2.783 -3.911) 5.099 12.057 ( -8.067 -3.225 3.922) 9.532 12.173 ( -8.868 -1.837 5.084) 10.385 12.449 ( 2.096 -1.944 1.128) 3.073 12.529 ( 2.485 0.430 -3.350) 4.193 12.815 ( -8.763 2.441 -2.917) 9.553 12.885 ( -9.772 3.385 -0.283) 10.346 13.057 ( 4.141 -0.558 2.866) 5.067 13.203 ( 1.456 -1.750 0.570) 2.347 13.235 ( 1.284 3.808 -5.712) 6.984 13.420 ( -4.256 -2.786 -2.202) 5.543 13.742 ( 8.600 -0.094 -2.764) 9.034 13.878 ( 9.011 0.584 -3.188) 9.576 14.114 ( 0.377 -0.466 2.499) 2.570 14.126 ( -0.688 -2.158 -0.078) 2.266 14.405 ( 13.155 -2.050 1.492) 13.397 14.546 ( 10.303 1.201 1.524) 10.484 14.572 ( 6.441 -4.311 0.039) 7.751 14.835 ( 11.551 1.235 -6.121) 13.131 14.870 ( 4.965 1.413 -0.056) 5.163 14.917 ( 3.495 6.547 -2.016) 7.690 15.072 ( 3.192 -2.635 -0.568) 4.178 15.147 ( 4.769 -0.532 4.290) 6.437 15.301 ( 4.362 -0.014 5.092) 6.705 15.514 ( 1.588 3.060 -5.107) 6.162 15.701 ( 9.118 -3.231 1.205) 9.748 15.766 ( 1.024 -4.848 1.723) 5.246 15.999 ( -7.116 1.659 0.698) 7.340 16.133 ( 2.316 -3.043 -4.688) 6.050 16.333 ( 4.868 0.394 -1.346) 5.067 16.513 ( -0.344 -3.385 1.186) 3.604 16.585 ( 6.345 4.991 0.292) 8.077 16.840 ( 0.640 2.447 0.795) 2.652 17.026 ( 10.803 0.056 -1.398) 10.893 17.131 ( 3.881 0.667 2.212) 4.517 18.280 ( -6.279 2.467 0.977) 6.816 18.410 ( -4.868 1.320 0.924) 5.128 18.477 ( -3.413 0.311 -1.841) 3.891 18.613 ( -8.466 -2.651 2.444) 9.202 19.092 ( -9.612 0.195 0.083) 9.614 19.107 ( -10.289 0.493 0.067) 10.301 19.279 ( -5.412 -0.827 -0.138) 5.477 19.335 ( -4.449 -1.617 -1.442) 4.949 25.150 ( 0.324 2.639 3.007) 4.014 25.235 ( 0.761 2.391 -4.082) 4.792 25.581 ( 9.251 -8.341 4.640) 13.292 25.756 ( 10.801 -13.304 -7.069) 18.537 26.959 ( -0.173 1.010 -1.318) 1.669 26.999 ( -1.868 0.858 0.771) 2.195 27.079 ( -0.326 3.348 -0.589) 3.415 27.194 ( -1.675 3.203 -2.812) 4.579 28.046 ( 0.860 9.134 1.409) 9.282 28.093 ( 1.393 10.340 0.427) 10.442 28.338 ( 2.474 -0.831 4.344) 5.067 28.421 ( 3.174 2.244 -0.872) 3.983 28.601 ( -0.558 2.220 11.810) 12.030 28.723 ( 2.597 -1.153 -5.793) 6.452 28.871 ( 8.030 -1.118 -6.261) 10.243 28.972 ( 8.096 1.459 -1.497) 8.361 29.036 ( 3.858 1.852 3.820) 5.736 29.254 ( 12.602 -2.614 -4.335) 13.581 29.618 ( 0.136 1.200 10.548) 10.617 29.712 ( -10.758 -1.347 0.857) 10.876 29.750 ( -10.257 -0.941 -2.133) 10.518 29.890 ( -5.390 -3.163 -7.623) 9.857 30.322 ( -5.205 1.178 -0.378) 5.350 30.440 ( -2.928 -0.762 0.902) 3.157 30.636 ( 1.225 1.972 3.087) 3.862 30.776 ( 3.775 2.288 -3.582) 5.685 31.005 ( -9.676 -4.520 8.169) 13.446 31.261 ( -11.448 -7.978 -5.012) 14.827 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 7.061 6.504 2.190) 9.846 2.014 ( -5.229 2.596 -0.474) 5.857 2.196 ( 2.500 0.894 6.218) 6.761 2.311 ( 2.535 5.055 1.500) 5.850 2.373 ( 4.208 4.351 -5.710) 8.321 2.437 ( 2.258 0.391 1.908) 2.982 2.510 ( 8.783 6.406 3.756) 11.501 2.646 ( -3.373 6.295 -1.415) 7.281 2.763 ( -2.129 1.295 0.984) 2.679 2.875 ( -7.248 3.389 -3.315) 8.661 2.971 ( -3.079 7.161 4.882) 9.197 3.044 ( 0.175 6.823 -5.927) 9.040 3.236 ( 3.577 5.609 -3.012) 7.302 3.321 ( 0.501 -0.953 4.578) 4.703 3.355 ( -0.146 2.124 -6.212) 6.567 3.463 ( -1.437 1.675 -0.220) 2.218 3.622 ( 6.233 -0.263 -6.431) 8.960 3.773 ( 4.251 -2.939 -1.689) 5.437 3.814 ( -5.945 -4.638 -1.356) 7.661 3.880 ( -2.987 3.441 0.218) 4.562 3.963 ( 3.112 -1.623 -1.795) 3.942 4.034 ( 0.013 -3.825 -0.149) 3.828 4.079 ( 5.961 -1.458 3.326) 6.980 4.208 ( 3.461 2.623 -2.544) 5.033 4.296 ( -1.250 0.651 1.883) 2.352 4.345 ( -3.782 -1.195 0.120) 3.968 4.451 ( -1.042 2.946 -2.613) 4.074 4.496 ( -4.923 3.672 3.927) 7.290 4.549 ( 7.153 1.837 5.039) 8.941 4.615 ( 4.054 0.523 0.488) 4.116 4.712 ( -2.005 0.522 2.975) 3.625 4.776 ( 1.033 -0.779 1.028) 1.652 4.886 ( -5.240 -3.105 3.605) 7.078 4.929 ( 3.716 3.008 -2.387) 5.344 5.006 ( 1.993 5.699 8.088) 10.093 5.103 ( 4.257 -1.839 -2.022) 5.059 5.191 ( 12.832 -1.954 -8.670) 15.609 5.216 ( -2.231 -0.038 -2.282) 3.192 5.284 ( -0.585 1.262 -2.751) 3.083 5.347 ( -0.638 1.646 0.120) 1.770 5.376 ( 2.150 2.225 3.706) 4.827 5.515 ( 9.294 -1.800 10.140) 13.872 5.540 ( 0.338 2.694 -1.448) 3.077 5.675 ( 2.555 -0.244 -1.959) 3.229 5.717 ( -1.322 3.695 9.022) 9.838 5.836 ( 5.026 -4.187 -1.963) 6.830 5.854 ( -3.706 -2.646 -0.944) 4.650 5.954 ( 0.669 -5.516 3.044) 6.335 5.995 ( -5.962 -1.644 -6.288) 8.819 6.140 ( -1.179 1.141 0.821) 1.835 6.177 ( -1.916 -2.776 1.527) 3.702 6.220 ( -2.498 -4.478 -2.905) 5.894 6.268 ( 4.649 2.260 1.866) 5.496 6.396 ( -0.462 5.661 -4.753) 7.406 6.482 ( 5.878 -0.677 0.349) 5.927 6.537 ( 6.134 0.409 2.598) 6.674 6.686 ( -0.689 -3.057 -1.024) 3.297 6.745 ( -6.330 -2.460 -0.560) 6.814 6.779 ( -2.069 -2.523 2.928) 4.384 6.939 ( -3.319 1.594 -1.024) 3.822 6.952 ( -1.428 0.596 3.819) 4.121 7.065 ( 3.110 -2.236 -0.440) 3.855 7.085 ( -4.237 -3.271 0.536) 5.380 7.133 ( -1.677 -2.092 -1.274) 2.968 7.315 ( 3.256 1.228 3.870) 5.204 7.449 ( -0.512 -3.680 1.552) 4.026 7.507 ( -8.543 -1.027 3.878) 9.438 7.577 ( -3.116 -3.694 -3.067) 5.723 7.620 ( 2.932 -2.786 4.366) 5.952 7.714 ( 0.670 4.038 -5.205) 6.622 7.811 ( -8.572 3.894 -2.391) 9.714 7.895 ( -6.696 -4.472 -0.748) 8.086 8.149 ( 0.134 0.924 -1.036) 1.395 8.212 ( 0.078 -3.083 -3.771) 4.871 8.271 ( -1.539 -1.013 -0.323) 1.870 8.299 ( -0.344 -0.560 -4.082) 4.135 8.402 ( 2.643 1.957 -0.039) 3.289 8.444 ( -2.089 -3.792 1.160) 4.482 8.585 ( 0.167 0.883 0.217) 0.924 8.650 ( -1.835 -0.213 -1.163) 2.183 8.879 ( 6.407 1.838 3.894) 7.719 8.986 ( 1.441 -0.827 -0.272) 1.684 9.101 ( 2.865 -0.156 1.681) 3.325 9.143 ( 1.557 1.844 -1.734) 2.972 9.201 ( -2.842 -1.826 -1.142) 3.566 9.202 ( -1.341 -0.909 1.984) 2.561 9.225 ( -4.053 -1.346 0.019) 4.270 9.304 ( -7.676 -4.074 -2.830) 9.140 9.727 ( 3.162 0.857 3.066) 4.487 9.822 ( -0.763 4.628 0.454) 4.712 9.950 ( 0.424 2.993 -2.162) 3.717 10.014 ( -3.199 -2.256 1.755) 4.290 10.169 ( 3.045 3.041 5.347) 6.864 10.272 ( -1.039 5.667 2.854) 6.429 10.295 ( 0.076 -0.809 -2.673) 2.794 10.307 ( 2.128 2.512 -5.043) 6.023 10.383 ( -1.100 2.824 2.592) 3.988 10.493 ( -0.326 4.849 -3.926) 6.248 10.675 ( 3.090 -2.699 -2.220) 4.665 10.715 ( -2.703 -0.564 0.799) 2.874 10.744 ( 0.208 -2.592 0.791) 2.717 10.781 ( -0.741 -1.712 -1.388) 2.325 11.189 ( 3.546 -2.121 -1.983) 4.583 11.241 ( -1.283 0.172 -1.898) 2.297 11.347 ( 2.282 -2.479 1.372) 3.638 11.426 ( 2.427 -3.682 -0.957) 4.512 11.533 ( -2.363 -0.310 2.403) 3.384 11.668 ( -1.547 -0.939 -1.581) 2.403 11.738 ( 1.705 -0.370 2.869) 3.358 11.925 ( -3.375 -0.736 1.101) 3.625 11.954 ( -9.286 1.980 6.416) 11.459 11.968 ( 0.133 -0.343 -4.130) 4.146 12.498 ( 1.318 -2.986 2.833) 4.321 12.572 ( 1.939 -1.813 0.398) 2.684 12.662 ( -5.539 2.264 -3.151) 6.763 12.736 ( -4.245 0.102 -4.557) 6.229 13.124 ( 1.446 -1.343 3.406) 3.936 13.200 ( 0.621 -1.875 -2.874) 3.487 13.274 ( 0.799 2.171 -2.344) 3.293 13.324 ( -3.504 1.243 -1.682) 4.081 13.878 ( 4.766 -1.123 -0.729) 4.950 13.949 ( -1.664 -0.344 -0.501) 1.772 14.107 ( 1.264 -1.822 -1.858) 2.893 14.134 ( 0.177 0.165 0.677) 0.719 14.621 ( 6.105 -2.247 1.448) 6.665 14.659 ( 3.172 -2.877 -1.187) 4.444 14.730 ( 6.505 -0.457 3.870) 7.583 14.888 ( -1.226 0.268 -4.092) 4.280 14.974 ( 0.565 2.580 1.959) 3.288 15.003 ( 5.886 0.150 -5.382) 7.977 15.169 ( 2.370 -1.306 2.589) 3.745 15.199 ( 2.357 -0.308 -0.620) 2.457 15.358 ( 1.994 5.637 6.494) 8.827 15.495 ( -1.471 4.737 -2.312) 5.473 15.730 ( -2.331 0.420 8.263) 8.596 15.881 ( -1.633 -3.624 -4.868) 6.285 15.941 ( 7.944 -1.969 4.562) 9.370 16.153 ( -1.068 -5.685 -5.978) 8.318 16.424 ( 2.633 -3.301 1.266) 4.408 16.483 ( -0.381 -3.419 -1.501) 3.753 16.719 ( 5.611 6.816 -0.004) 8.828 16.808 ( -2.744 5.338 -0.343) 6.011 17.170 ( 1.790 0.718 3.927) 4.375 17.223 ( 5.508 -0.391 -4.460) 7.099 18.217 ( 0.099 3.064 1.263) 3.315 18.304 ( -5.213 1.668 -0.101) 5.474 18.430 ( -0.575 -0.884 -2.415) 2.635 18.456 ( -6.423 -0.648 0.758) 6.500 18.943 ( -5.064 0.373 1.609) 5.326 18.962 ( -3.078 0.124 -2.336) 3.867 19.212 ( -1.406 -1.079 1.759) 2.498 19.269 ( -1.951 -2.009 -2.718) 3.903 25.162 ( 0.557 2.886 3.376) 4.476 25.245 ( 0.339 2.789 -4.442) 5.256 25.724 ( 4.574 -12.510 5.991) 14.605 25.890 ( 3.022 -16.673 -8.010) 18.742 26.954 ( -1.227 2.441 1.415) 3.076 26.974 ( 0.479 2.377 -2.287) 3.333 27.085 ( 0.745 4.260 0.780) 4.394 27.152 ( -2.194 4.019 -2.874) 5.406 28.076 ( 1.765 10.352 1.428) 10.598 28.110 ( 0.190 11.011 -0.186) 11.015 28.378 ( 1.212 0.010 5.180) 5.320 28.443 ( -0.603 1.310 0.164) 1.451 28.608 ( 0.540 2.541 10.045) 10.375 28.775 ( 2.484 -1.998 -6.824) 7.532 28.990 ( -4.477 1.701 7.514) 8.910 29.046 ( 8.882 -1.413 -7.851) 11.938 29.178 ( 10.628 1.899 -1.186) 10.861 29.416 ( -5.274 0.008 -5.249) 7.441 29.484 ( -3.687 -4.062 -1.295) 5.636 29.541 ( -7.016 -1.384 -1.039) 7.226 29.813 ( 14.152 -0.761 6.800) 15.720 29.905 ( 7.382 -1.205 0.812) 7.524 30.156 ( -11.303 -0.245 -0.357) 11.311 30.253 ( -14.115 -1.263 -2.084) 14.324 30.649 ( 0.782 1.814 5.504) 5.848 30.782 ( -1.250 0.955 -5.118) 5.354 30.950 ( 1.130 -3.562 5.986) 7.057 31.112 ( -4.144 -5.279 -5.135) 8.451 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -4.728 2.039 2.014) 5.528 1.935 ( -3.085 5.033 2.904) 6.579 2.188 ( -1.178 1.837 4.984) 5.441 2.311 ( -2.880 6.475 1.089) 7.170 2.401 ( -1.514 1.621 -5.933) 6.334 2.463 ( 3.343 -0.077 0.683) 3.413 2.584 ( -5.647 8.461 0.186) 10.174 2.653 ( -3.100 4.640 -3.857) 6.784 2.729 ( -2.247 7.744 1.532) 8.208 2.792 ( 7.316 4.567 4.722) 9.832 2.955 ( 3.624 3.189 -0.663) 4.873 3.105 ( 2.835 4.064 -3.449) 6.037 3.260 ( -2.321 4.802 4.186) 6.780 3.271 ( -3.126 0.414 -3.538) 4.739 3.367 ( 3.345 1.688 -4.714) 6.022 3.509 ( 4.186 4.494 -5.590) 8.304 3.600 ( -8.448 0.103 -3.563) 9.169 3.773 ( -0.562 -0.681 2.782) 2.919 3.812 ( -3.514 -0.163 -0.078) 3.518 3.857 ( 6.553 -3.676 -5.145) 9.107 3.940 ( -0.974 -3.932 -0.159) 4.054 4.094 ( 0.598 -2.511 -2.527) 3.612 4.105 ( -1.114 -0.150 2.577) 2.811 4.194 ( -7.283 2.140 -4.862) 9.015 4.316 ( -1.351 -3.357 1.847) 4.063 4.340 ( 2.656 7.207 0.631) 7.707 4.386 ( 2.410 0.310 0.912) 2.596 4.491 ( 2.198 -2.998 8.365) 9.154 4.582 ( -3.547 -2.993 2.117) 5.101 4.642 ( -4.551 0.479 -3.425) 5.716 4.757 ( 0.613 0.567 -4.084) 4.168 4.797 ( 6.566 4.872 1.142) 8.255 4.823 ( 2.024 1.682 7.174) 7.642 4.907 ( -7.978 -2.391 4.808) 9.617 4.986 ( -13.373 3.113 4.361) 14.407 5.037 ( -0.802 0.200 4.983) 5.051 5.173 ( 3.664 1.787 -6.089) 7.328 5.237 ( -9.197 5.627 -3.825) 11.440 5.252 ( -4.648 0.728 5.006) 6.870 5.307 ( 1.520 1.108 2.858) 3.421 5.318 ( -4.405 4.183 4.715) 7.690 5.568 ( -0.254 -2.707 -3.922) 4.772 5.646 ( -2.838 -2.139 1.810) 3.988 5.660 ( -6.330 -0.265 -1.687) 6.556 5.757 ( 1.691 -2.937 8.595) 9.239 5.788 ( -0.723 -5.354 2.079) 5.788 5.841 ( 3.521 -0.471 -2.658) 4.436 5.881 ( -3.477 0.155 1.258) 3.701 6.055 ( -2.309 1.172 2.585) 3.659 6.082 ( 6.171 -3.574 -0.819) 7.179 6.132 ( -2.095 -9.522 -7.824) 12.501 6.255 ( 5.409 -0.067 3.455) 6.418 6.361 ( -0.542 1.172 -0.274) 1.320 6.415 ( 3.097 4.225 -5.573) 7.649 6.524 ( -4.217 0.130 -3.106) 5.239 6.560 ( -1.830 1.059 -4.678) 5.134 6.686 ( -2.259 0.344 -0.165) 2.291 6.718 ( 2.105 0.852 1.834) 2.919 6.782 ( 5.622 1.532 3.825) 6.970 6.939 ( 4.046 -1.872 -2.844) 5.288 7.005 ( 3.021 -4.359 2.529) 5.876 7.033 ( 2.973 -0.399 -1.351) 3.290 7.062 ( -2.725 0.183 4.073) 4.904 7.132 ( 1.306 -5.045 -2.491) 5.777 7.363 ( -0.982 2.276 0.199) 2.487 7.462 ( -2.940 -3.366 -0.282) 4.478 7.505 ( 2.151 -1.988 3.646) 4.677 7.549 ( 13.085 1.924 0.596) 13.239 7.684 ( -1.614 0.711 -2.034) 2.692 7.727 ( -5.872 -4.205 -3.011) 7.824 7.756 ( 5.550 0.045 2.105) 5.936 7.829 ( 10.222 -2.398 2.948) 10.906 8.122 ( -1.356 -1.735 1.276) 2.545 8.184 ( 0.255 2.669 -2.441) 3.626 8.304 ( 2.656 -4.788 -3.633) 6.571 8.309 ( 0.284 -0.700 -3.434) 3.516 8.417 ( -1.297 0.206 -1.866) 2.282 8.456 ( 2.571 -1.874 0.253) 3.191 8.596 ( -1.460 0.082 -0.145) 1.469 8.638 ( 2.819 2.242 0.081) 3.603 8.921 ( -5.755 0.357 -0.797) 5.821 8.955 ( -0.255 0.359 3.345) 3.374 9.123 ( -3.523 0.290 -0.829) 3.631 9.140 ( -4.931 1.631 -2.084) 5.596 9.178 ( 4.049 -1.267 1.091) 4.381 9.200 ( 2.768 -1.408 1.406) 3.409 9.257 ( 7.401 -2.754 -1.125) 7.977 9.285 ( 5.781 -2.457 -1.594) 6.481 9.760 ( -0.522 0.713 3.102) 3.225 9.806 ( -0.729 -0.212 -1.784) 1.939 9.909 ( -4.238 2.460 2.717) 5.603 10.025 ( 3.914 1.747 0.669) 4.338 10.152 ( -3.145 4.637 4.643) 7.277 10.233 ( -4.759 -0.216 1.369) 4.956 10.260 ( 0.737 4.959 2.766) 5.726 10.349 ( 1.138 1.106 -2.195) 2.709 10.427 ( -4.641 4.142 -3.322) 7.052 10.470 ( 5.877 2.601 -1.823) 6.680 10.673 ( -2.013 -1.875 -2.151) 3.492 10.748 ( -0.067 -0.633 -1.648) 1.767 10.770 ( 3.138 -2.019 -1.792) 4.139 10.796 ( 5.678 -1.928 -3.395) 6.891 11.137 ( -5.616 -1.385 2.377) 6.254 11.237 ( -0.886 2.899 -1.471) 3.369 11.333 ( -3.015 -3.642 6.109) 7.725 11.386 ( -6.030 -5.110 -1.393) 8.025 11.604 ( 4.451 -2.441 1.894) 5.418 11.662 ( 4.282 -0.583 -6.026) 7.415 11.731 ( -2.785 -0.699 3.634) 4.631 11.850 ( -1.670 -0.844 7.084) 7.327 11.941 ( 6.864 0.651 -1.682) 7.097 12.074 ( 7.847 1.501 -3.543) 8.739 12.473 ( -1.769 2.596 5.840) 6.631 12.608 ( -1.497 1.638 -5.759) 6.172 12.628 ( 3.412 -2.593 2.954) 5.205 12.729 ( 4.336 -2.137 -4.890) 6.876 13.117 ( -0.898 -1.021 4.060) 4.281 13.208 ( -1.110 -0.814 -4.507) 4.713 13.291 ( -0.139 0.446 -3.101) 3.136 13.307 ( 2.932 0.984 -0.157) 3.097 13.859 ( -5.785 -0.467 0.971) 5.885 13.930 ( -1.283 -0.052 1.679) 2.114 14.094 ( -2.618 -2.038 -0.248) 3.327 14.156 ( 2.221 -1.362 -1.909) 3.230 14.590 ( -6.348 -0.516 2.767) 6.944 14.688 ( -3.293 -4.897 -1.998) 6.230 14.802 ( -0.622 1.415 3.157) 3.515 14.818 ( -4.413 0.186 -4.177) 6.079 14.928 ( -5.152 0.017 1.834) 5.469 15.053 ( -1.101 0.846 -5.682) 5.849 15.119 ( -4.772 -0.067 4.582) 6.616 15.248 ( 0.797 -1.685 -2.173) 2.863 15.382 ( 0.249 3.773 6.138) 7.209 15.464 ( -2.715 7.926 -1.794) 8.568 15.696 ( -0.174 -0.470 9.411) 9.424 15.915 ( 1.328 -4.414 -3.830) 5.993 15.925 ( -6.188 0.442 3.486) 7.116 16.150 ( 0.410 -4.919 -5.017) 7.038 16.378 ( -4.094 -1.195 2.562) 4.976 16.532 ( 1.720 -4.806 -2.852) 5.848 16.730 ( -3.032 2.547 -1.620) 4.278 16.816 ( 2.572 5.535 -0.319) 6.112 17.147 ( -3.957 3.184 1.986) 5.453 17.252 ( -2.321 -0.015 -3.414) 4.128 18.243 ( 0.224 1.535 -1.467) 2.136 18.287 ( 6.122 1.608 1.671) 6.546 18.397 ( 0.445 -0.013 1.062) 1.151 18.480 ( 5.742 -0.804 -1.770) 6.062 18.927 ( 3.558 1.219 1.161) 3.936 18.989 ( 5.539 -0.250 -2.777) 6.202 19.226 ( 2.772 -1.272 1.744) 3.513 19.259 ( 0.922 -2.443 -3.162) 4.101 25.168 ( -0.147 2.949 3.398) 4.501 25.240 ( -0.614 2.627 -4.554) 5.294 25.748 ( -2.615 -13.558 6.345) 15.196 25.865 ( -5.033 -15.592 -8.284) 18.359 26.933 ( -0.560 3.582 1.346) 3.867 27.000 ( 1.807 1.736 -2.734) 3.708 27.085 ( -1.255 3.863 1.003) 4.183 27.135 ( 1.083 3.871 -1.334) 4.235 28.083 ( -1.136 10.481 0.583) 10.559 28.120 ( 0.842 11.593 -1.234) 11.689 28.381 ( -1.087 1.466 5.023) 5.345 28.429 ( -0.585 -1.291 2.202) 2.619 28.607 ( -1.515 3.483 7.271) 8.203 28.789 ( -1.098 -3.472 -1.480) 3.931 28.898 ( -4.099 2.003 0.140) 4.564 29.134 ( -5.784 -2.105 -2.415) 6.612 29.226 ( -3.787 1.175 -7.992) 8.922 29.345 ( -5.795 0.101 1.839) 6.080 29.417 ( 9.466 -0.539 3.774) 10.205 29.573 ( 6.528 -2.652 -2.841) 7.598 29.921 ( -9.495 -1.011 -3.964) 10.339 29.952 ( -8.023 -0.137 -4.195) 9.055 30.136 ( 11.580 -1.885 2.393) 11.974 30.179 ( 15.216 -1.007 4.824) 15.994 30.672 ( 1.377 1.662 5.676) 6.072 30.761 ( -0.746 1.279 -5.619) 5.811 30.985 ( 2.197 -4.337 6.919) 8.456 31.063 ( -0.767 -4.288 -4.660) 6.379 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -16.570 0.330 14.577) 22.072 1.826 ( -4.963 -3.067 -3.729) 6.924 2.007 ( -19.675 6.297 6.426) 21.635 2.309 ( 6.298 2.991 -2.674) 7.468 2.381 ( -2.038 11.895 0.314) 12.072 2.481 ( -2.301 7.748 -7.862) 11.276 2.531 ( 0.783 0.789 0.140) 1.120 2.663 ( 7.218 2.255 1.729) 7.757 2.782 ( 4.504 9.880 2.943) 11.250 2.857 ( 0.291 8.147 -0.801) 8.191 3.006 ( -9.073 5.777 0.900) 10.794 3.026 ( -2.392 0.410 3.278) 4.079 3.182 ( -1.629 -5.096 -0.062) 5.351 3.258 ( -0.614 2.276 -6.646) 7.052 3.447 ( -7.956 -0.226 3.331) 8.629 3.474 ( 7.523 0.150 -7.763) 10.811 3.613 ( 5.839 3.632 0.619) 6.904 3.722 ( -2.951 -1.942 -5.925) 6.898 3.814 ( -5.816 0.567 -4.321) 7.268 3.845 ( -0.452 0.890 4.337) 4.450 3.969 ( -8.762 6.370 2.352) 11.085 4.009 ( -1.318 -3.952 1.155) 4.323 4.035 ( 1.740 1.652 -0.289) 2.416 4.161 ( 3.598 -0.479 -1.269) 3.845 4.217 ( -4.820 -2.615 4.587) 7.150 4.309 ( -2.978 -0.041 2.850) 4.122 4.397 ( -8.064 -0.298 -1.938) 8.299 4.494 ( -5.548 -1.237 0.590) 5.714 4.506 ( -5.417 -1.142 2.286) 5.990 4.565 ( 1.299 4.144 -0.205) 4.348 4.671 ( -5.739 1.767 2.914) 6.674 4.791 ( 3.021 -2.021 1.710) 4.017 4.835 ( -1.139 1.778 1.184) 2.421 4.856 ( -4.372 3.719 -5.052) 7.646 4.946 ( 2.408 1.583 0.105) 2.884 5.038 ( -3.660 -0.676 1.261) 3.929 5.063 ( -2.196 0.511 -1.969) 2.993 5.174 ( -7.756 -0.388 7.002) 10.456 5.211 ( -9.252 1.248 5.117) 10.646 5.285 ( 0.186 7.967 -0.767) 8.006 5.342 ( 8.949 -0.543 -3.747) 9.717 5.377 ( -12.669 -2.740 4.103) 13.595 5.458 ( -3.654 -1.956 0.775) 4.217 5.602 ( -3.438 0.336 -0.802) 3.546 5.694 ( -2.102 5.592 -1.078) 6.071 5.751 ( -7.665 -0.365 -5.733) 9.578 5.844 ( -1.229 -0.266 4.548) 4.718 5.864 ( -5.742 -2.768 -4.287) 7.681 6.049 ( 2.643 -1.841 6.642) 7.382 6.096 ( -4.008 -4.803 -3.685) 7.260 6.227 ( 6.357 -1.164 -0.361) 6.473 6.246 ( -1.179 -4.597 4.657) 6.649 6.389 ( 5.155 2.496 1.306) 5.875 6.469 ( 1.394 1.759 -4.150) 4.718 6.534 ( -1.176 -6.893 1.859) 7.235 6.559 ( 1.891 -0.669 -10.970) 11.152 6.611 ( 4.042 3.430 -2.162) 5.726 6.775 ( 6.506 -2.457 4.445) 8.253 6.886 ( 1.952 3.221 0.084) 3.767 7.010 ( 2.359 -2.656 2.809) 4.528 7.044 ( 4.615 0.375 3.720) 5.939 7.108 ( 4.576 -2.996 -3.452) 6.468 7.135 ( 3.075 -5.985 1.591) 6.914 7.224 ( 9.810 -1.250 -7.951) 12.689 7.406 ( 1.200 5.406 -4.836) 7.352 7.462 ( -2.692 -1.220 3.231) 4.379 7.495 ( 6.189 -6.254 4.380) 9.828 7.613 ( 1.101 -1.106 0.418) 1.616 7.702 ( 0.483 -0.251 -1.824) 1.904 7.779 ( 7.037 -0.231 -1.112) 7.128 7.946 ( 4.753 -2.332 5.222) 7.436 8.027 ( 9.570 -2.155 2.792) 10.199 8.129 ( 2.110 0.710 -3.362) 4.032 8.203 ( -2.310 1.663 -1.477) 3.207 8.247 ( -0.934 0.891 -3.846) 4.057 8.373 ( 4.770 -3.199 0.136) 5.745 8.448 ( 5.194 1.250 -2.251) 5.797 8.501 ( 1.850 -1.887 3.248) 4.187 8.598 ( 1.909 -0.809 0.408) 2.113 8.693 ( 2.389 1.940 -1.073) 3.259 8.809 ( -6.066 0.049 -4.809) 7.741 8.896 ( -4.597 -3.492 1.719) 6.024 9.052 ( -3.725 -0.781 -3.102) 4.910 9.071 ( -2.070 5.052 1.444) 5.647 9.212 ( -1.110 -2.833 2.957) 4.243 9.279 ( 4.762 -3.063 2.827) 6.328 9.384 ( 4.805 -1.675 -5.348) 7.381 9.445 ( 8.518 -3.905 -1.050) 9.429 9.655 ( -6.602 1.135 0.793) 6.746 9.854 ( 4.065 1.789 2.130) 4.925 9.916 ( 2.259 5.269 3.076) 6.506 10.028 ( -1.679 3.148 -0.775) 3.651 10.094 ( -4.218 1.693 1.938) 4.941 10.179 ( -0.097 3.901 1.782) 4.290 10.258 ( -1.096 2.014 2.607) 3.472 10.341 ( -0.234 -0.316 -0.233) 0.456 10.389 ( 1.752 4.757 -0.672) 5.114 10.552 ( -2.169 -1.640 0.840) 2.846 10.629 ( 0.268 0.118 -0.046) 0.296 10.724 ( 0.422 3.588 -0.970) 3.741 10.823 ( -1.093 -5.427 1.572) 5.754 10.955 ( 8.643 -0.199 -4.535) 9.763 11.032 ( 0.453 1.216 -4.513) 4.696 11.154 ( -4.768 1.357 -0.299) 4.967 11.324 ( 1.707 0.103 2.340) 2.898 11.410 ( 7.082 -3.586 3.804) 8.802 11.579 ( 0.486 -0.317 1.259) 1.386 11.715 ( 2.093 -2.239 -4.383) 5.348 11.808 ( 0.046 -3.520 4.795) 5.948 11.855 ( 3.697 -6.336 0.067) 7.336 12.073 ( 6.721 -3.362 0.559) 7.536 12.210 ( 4.500 -0.975 1.840) 4.958 12.482 ( 2.193 7.652 -1.273) 8.061 12.567 ( -1.985 0.026 -6.354) 6.657 12.750 ( 9.507 -0.465 2.469) 9.834 12.863 ( 7.916 1.869 1.498) 8.270 13.121 ( 0.276 0.523 3.634) 3.682 13.150 ( -3.338 -0.475 -4.605) 5.708 13.252 ( -4.116 0.627 -4.455) 6.098 13.388 ( 4.159 -2.580 1.136) 5.025 13.703 ( -11.153 -0.805 1.037) 11.230 13.805 ( -9.502 -0.973 3.847) 10.298 14.092 ( 1.394 -1.512 2.408) 3.167 14.181 ( 0.518 -1.639 -3.240) 3.668 14.415 ( -11.459 -1.473 1.039) 11.600 14.566 ( -8.590 -5.201 0.374) 10.049 14.596 ( -12.381 0.672 -3.230) 12.813 14.744 ( -11.309 2.727 1.871) 11.782 14.841 ( -1.605 -1.779 1.696) 2.935 14.958 ( -8.329 9.600 -4.679) 13.544 15.030 ( -2.760 -0.852 3.497) 4.535 15.222 ( -3.338 -2.432 -1.974) 4.578 15.345 ( -10.408 0.792 4.477) 11.358 15.387 ( -0.305 1.311 1.494) 2.011 15.682 ( -4.545 0.471 4.694) 6.551 15.751 ( -2.950 -1.974 1.562) 3.878 16.028 ( 5.517 1.479 -1.539) 5.915 16.113 ( -2.188 -1.962 -2.299) 3.731 16.312 ( -2.755 0.589 0.078) 2.819 16.522 ( -2.125 -2.375 -0.077) 3.188 16.662 ( -3.584 -3.249 -5.831) 7.576 16.832 ( -1.909 0.809 1.723) 2.695 17.035 ( -6.452 5.679 -3.063) 9.125 17.172 ( -4.835 1.504 -1.109) 5.183 18.315 ( 6.802 0.531 -2.526) 7.275 18.410 ( 4.889 -0.169 1.145) 5.024 18.444 ( 3.841 1.701 1.261) 4.386 18.646 ( 10.536 -3.645 -0.779) 11.176 19.067 ( 9.693 1.845 1.288) 9.950 19.148 ( 9.931 -0.299 -2.511) 10.248 19.294 ( 3.036 -2.116 -1.968) 4.192 19.318 ( 5.899 -1.414 0.360) 6.077 25.163 ( -0.278 2.726 3.093) 4.132 25.222 ( -0.828 2.065 -4.298) 4.839 25.633 ( -9.032 -10.305 5.433) 14.741 25.700 ( -11.129 -11.248 -7.504) 17.512 26.937 ( 0.946 2.349 0.537) 2.588 27.026 ( 0.352 1.471 -1.788) 2.342 27.074 ( 1.093 1.973 -0.238) 2.268 27.163 ( 1.227 2.553 0.657) 2.908 28.059 ( -1.011 9.515 0.009) 9.569 28.115 ( -1.306 11.360 -1.788) 11.574 28.351 ( -2.198 -0.028 2.657) 3.448 28.408 ( -2.017 -0.168 2.558) 3.262 28.562 ( -2.629 2.753 7.585) 8.487 28.744 ( -3.193 -2.806 4.154) 5.944 28.836 ( -2.415 0.805 -7.813) 8.217 28.957 ( -7.931 1.873 -0.555) 8.168 29.120 ( -9.208 -1.527 -3.315) 9.905 29.161 ( -10.730 -0.837 3.491) 11.314 29.677 ( 14.747 -0.301 5.775) 15.841 29.767 ( 12.421 -1.866 -3.867) 13.142 29.810 ( -2.072 -0.017 -2.681) 3.388 29.860 ( 0.125 -0.523 -11.662) 11.675 30.307 ( 4.951 0.213 0.993) 5.054 30.425 ( 6.536 -2.235 2.936) 7.505 30.692 ( -1.406 1.766 1.235) 2.573 30.728 ( -3.043 3.473 -2.483) 5.243 31.080 ( 9.137 -6.899 6.853) 13.343 31.132 ( 9.361 -4.840 1.602) 10.660 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -11.047 -0.419 25.083) 27.411 1.570 ( -16.134 9.515 20.232) 27.571 1.804 ( -0.826 -8.874 -17.900) 19.996 2.221 ( -9.050 11.545 -8.458) 16.933 2.321 ( -8.709 16.640 5.892) 19.684 2.481 ( -1.497 4.347 -2.010) 5.018 2.640 ( 4.384 1.664 -3.739) 5.997 2.724 ( 0.274 0.443 -0.816) 0.968 2.791 ( -0.674 4.340 3.169) 5.416 2.839 ( -0.393 5.744 0.188) 5.760 2.955 ( 0.843 6.437 9.804) 11.758 3.045 ( 4.704 4.627 4.904) 8.221 3.135 ( -4.337 -3.802 -2.103) 6.140 3.245 ( -6.124 7.069 2.488) 9.678 3.275 ( 7.093 7.200 -1.426) 10.207 3.600 ( 0.883 -0.314 -5.469) 5.549 3.634 ( 1.264 -1.758 -0.257) 2.180 3.687 ( 0.533 2.138 -7.494) 7.811 3.760 ( -5.432 2.240 7.852) 9.807 3.801 ( -3.975 1.303 5.900) 7.232 3.881 ( -2.231 -5.039 1.286) 5.659 3.942 ( 0.694 -2.159 -0.651) 2.360 4.074 ( -9.544 2.650 -3.378) 10.465 4.151 ( 3.162 2.570 1.460) 4.328 4.177 ( -7.243 3.232 -7.581) 10.972 4.226 ( -0.930 1.739 0.481) 2.030 4.286 ( 2.061 -5.588 -1.863) 6.240 4.421 ( -3.555 0.237 6.327) 7.261 4.483 ( 2.841 2.094 -5.890) 6.867 4.555 ( 1.881 -3.878 -0.686) 4.365 4.588 ( -15.723 4.543 -5.988) 17.427 4.677 ( 0.171 0.142 -0.906) 0.933 4.698 ( -7.136 -0.985 -1.603) 7.380 4.858 ( -1.124 -3.865 -0.268) 4.034 4.922 ( -8.577 -3.067 4.134) 10.003 4.955 ( -6.482 -2.460 3.717) 7.867 5.004 ( -2.381 0.268 -2.749) 3.647 5.064 ( 4.201 3.673 1.577) 5.799 5.114 ( -0.108 -4.041 3.933) 5.640 5.184 ( -4.444 5.464 0.368) 7.052 5.336 ( -6.562 0.182 6.090) 8.954 5.376 ( -0.770 2.213 -2.236) 3.239 5.440 ( -3.059 4.531 6.492) 8.487 5.517 ( 1.162 -2.932 -5.882) 6.674 5.618 ( -1.361 3.236 -10.875) 11.428 5.719 ( -5.594 0.153 -6.155) 8.318 5.858 ( 4.068 -1.611 1.352) 4.580 5.888 ( 5.026 2.735 0.408) 5.736 5.946 ( -0.621 4.536 -1.022) 4.691 6.059 ( -2.716 2.677 4.998) 6.286 6.235 ( 0.073 1.096 4.784) 4.909 6.291 ( -1.131 0.151 2.942) 3.156 6.484 ( 3.311 -1.099 -4.360) 5.584 6.501 ( 3.016 -1.451 -0.284) 3.359 6.608 ( 7.668 -4.633 0.936) 9.008 6.633 ( 6.182 -1.894 -8.018) 10.300 6.747 ( 7.244 0.692 -0.958) 7.340 6.875 ( 1.741 -3.622 6.087) 7.294 6.972 ( 6.069 0.847 -2.254) 6.529 7.038 ( 0.279 -4.547 -0.864) 4.636 7.131 ( -0.440 -0.877 5.006) 5.101 7.157 ( 5.442 -3.343 0.297) 6.393 7.224 ( 4.831 -6.663 0.684) 8.259 7.286 ( -1.366 -2.332 -1.776) 3.234 7.426 ( 1.031 2.209 -2.907) 3.794 7.510 ( 3.725 -3.208 -2.393) 5.467 7.627 ( 5.433 -0.034 5.605) 7.806 7.668 ( 1.126 -1.533 -4.224) 4.633 7.748 ( 6.675 -1.304 0.302) 6.808 7.820 ( -1.945 2.966 0.781) 3.632 7.924 ( -3.387 -1.414 -5.769) 6.838 7.991 ( -7.982 -0.257 -0.741) 8.020 8.177 ( 0.403 -0.006 -0.369) 0.547 8.202 ( 1.548 -0.302 -0.003) 1.577 8.326 ( 4.780 2.028 -1.957) 5.549 8.453 ( 0.574 -2.525 7.197) 7.649 8.534 ( 1.979 0.326 0.804) 2.160 8.574 ( 4.355 -2.118 -2.037) 5.253 8.639 ( 0.210 -1.618 0.157) 1.639 8.689 ( -2.530 -1.281 -2.161) 3.566 8.744 ( 3.863 -2.139 -4.618) 6.389 8.815 ( -2.889 -0.915 2.979) 4.249 9.011 ( 0.583 0.863 -2.461) 2.673 9.050 ( -0.309 5.510 3.883) 6.748 9.168 ( -1.932 -6.094 2.331) 6.805 9.358 ( 2.225 -3.445 1.596) 4.401 9.423 ( -0.452 -2.372 -3.893) 4.581 9.481 ( -5.318 -1.939 -1.604) 5.883 9.645 ( 5.758 1.004 1.827) 6.123 9.867 ( -4.362 -4.089 1.834) 6.254 9.944 ( 2.044 4.517 -0.721) 5.010 10.036 ( 2.912 8.856 -3.132) 9.834 10.065 ( 0.370 10.604 5.402) 11.907 10.209 ( 3.886 -0.210 -0.022) 3.891 10.234 ( -0.932 3.648 -2.025) 4.275 10.359 ( 2.036 0.590 4.781) 5.230 10.433 ( -6.775 -0.541 3.652) 7.716 10.474 ( 4.959 -0.977 -1.882) 5.394 10.594 ( -3.158 -2.717 3.146) 5.220 10.707 ( -7.534 -1.113 0.617) 7.641 10.826 ( 7.887 6.657 -4.172) 11.132 11.033 ( -5.516 0.746 0.651) 5.604 11.170 ( 12.203 -1.171 -0.254) 12.262 11.200 ( 10.528 -0.921 -4.165) 11.359 11.429 ( 8.257 -0.631 1.079) 8.351 11.582 ( 7.803 -3.040 2.765) 8.819 11.677 ( 8.343 -1.264 1.442) 8.560 11.759 ( 3.352 -3.813 -1.406) 5.268 11.787 ( -1.616 -1.837 2.662) 3.615 11.879 ( -0.501 -6.796 -2.576) 7.285 12.182 ( 3.212 -4.069 5.763) 7.752 12.290 ( 5.538 -2.808 1.177) 6.320 12.495 ( -1.509 1.519 -4.745) 5.206 12.552 ( 0.716 -1.183 -7.853) 7.974 12.898 ( 3.057 3.194 3.918) 5.907 13.016 ( 4.072 2.344 0.771) 4.761 13.029 ( -2.415 1.263 -1.219) 2.986 13.121 ( -6.586 3.012 -3.017) 7.845 13.214 ( 2.188 -3.937 2.508) 5.155 13.369 ( -6.104 -4.042 1.823) 7.545 13.502 ( -6.656 2.061 3.542) 7.816 13.649 ( -4.783 1.156 1.098) 5.042 14.093 ( -8.874 -6.015 0.295) 10.724 14.124 ( -2.226 -4.812 -0.516) 5.327 14.187 ( -9.289 1.188 1.198) 9.441 14.335 ( -13.832 6.820 -1.990) 15.550 14.400 ( -5.825 -1.743 3.408) 6.970 14.583 ( -0.025 3.333 -0.013) 3.334 14.789 ( -7.505 9.615 -3.981) 12.831 14.821 ( -0.851 -0.223 1.986) 2.172 15.025 ( 0.322 -2.936 2.042) 3.591 15.093 ( -11.279 -2.493 -1.034) 11.598 15.134 ( -5.443 -2.495 0.557) 6.014 15.333 ( -5.552 -3.473 -1.260) 6.669 15.644 ( 0.934 5.290 2.616) 5.975 15.714 ( -2.089 3.746 2.228) 4.833 16.059 ( 0.625 -1.134 -0.985) 1.627 16.173 ( 3.545 -0.869 -0.272) 3.660 16.250 ( -1.961 -0.273 -0.772) 2.125 16.478 ( -1.566 2.068 -1.542) 3.018 16.606 ( -1.929 -5.163 -2.238) 5.949 16.713 ( -9.166 -3.403 -0.935) 9.821 16.961 ( -0.786 5.114 -1.815) 5.483 17.067 ( -5.818 2.248 -0.031) 6.238 18.442 ( 4.198 0.016 -0.545) 4.233 18.473 ( 1.864 0.371 1.101) 2.197 18.554 ( 7.890 0.816 0.360) 7.940 18.804 ( 3.442 -7.549 -3.355) 8.949 19.252 ( 7.850 1.899 2.210) 8.373 19.330 ( 7.423 0.688 -2.541) 7.876 19.375 ( 5.537 -1.653 1.051) 5.874 19.438 ( 5.523 -1.488 -0.954) 5.799 25.170 ( 1.141 2.029 2.265) 3.248 25.217 ( 0.851 1.532 -3.120) 3.579 25.434 ( -10.493 -4.608 3.326) 11.933 25.457 ( -12.179 -4.723 -4.263) 13.740 26.967 ( 2.006 0.189 -0.519) 2.081 27.017 ( -0.873 0.598 -0.274) 1.093 27.120 ( 3.067 0.406 -1.503) 3.440 27.173 ( -0.404 1.134 1.200) 1.700 28.048 ( -0.151 8.931 0.262) 8.936 28.084 ( -1.366 10.170 -1.350) 10.350 28.300 ( -2.783 -0.289 1.312) 3.091 28.342 ( -4.183 0.527 -0.765) 4.285 28.545 ( 0.685 1.373 9.979) 10.096 28.683 ( -2.832 -1.627 3.444) 4.746 28.769 ( -3.770 1.414 -3.029) 5.038 28.862 ( -4.312 1.815 -6.210) 7.775 28.942 ( -5.268 -2.107 -0.664) 5.712 28.973 ( -7.630 0.183 2.367) 7.990 29.795 ( -0.121 1.406 0.339) 1.451 29.890 ( 3.016 -1.185 -11.848) 12.283 29.981 ( 14.536 -0.881 4.768) 15.323 30.021 ( 12.518 -1.415 -4.742) 13.461 30.361 ( 1.954 1.110 1.244) 2.568 30.454 ( -1.720 -1.363 -0.985) 2.406 30.579 ( -8.603 0.645 -2.166) 8.895 30.628 ( -7.423 1.395 0.214) 7.556 31.301 ( 9.471 -5.241 14.152) 17.816 31.407 ( 16.421 -7.944 -2.555) 18.420 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 1.630 8.461 12.224) 14.956 1.582 ( 2.995 -11.662 -8.232) 14.586 1.850 ( 7.158 13.506 14.723) 21.223 2.029 ( -2.934 -2.400 -1.803) 4.198 2.504 ( -4.220 2.290 -2.776) 5.546 2.526 ( -2.043 -0.683 -4.735) 5.202 2.716 ( 1.595 5.297 4.329) 7.025 2.797 ( 1.567 -2.267 4.385) 5.179 2.815 ( -2.837 8.919 -3.232) 9.902 2.942 ( 0.549 -3.131 -6.589) 7.316 3.110 ( 3.351 10.838 4.835) 12.332 3.158 ( -3.444 5.741 2.050) 7.002 3.292 ( 6.689 8.533 15.826) 19.183 3.394 ( 5.642 0.444 4.926) 7.503 3.503 ( -9.430 2.956 -1.392) 9.980 3.578 ( -7.753 1.330 -5.344) 9.510 3.620 ( 5.908 -1.723 3.072) 6.878 3.646 ( 0.384 -2.197 -0.606) 2.311 3.776 ( -3.189 2.873 -1.249) 4.471 3.807 ( 3.798 2.119 -5.843) 7.284 3.834 ( 2.897 1.572 -0.010) 3.296 3.883 ( 1.340 0.591 -3.580) 3.868 3.936 ( 0.616 -0.119 3.514) 3.570 4.035 ( -9.510 5.823 -2.702) 11.474 4.155 ( 5.030 -11.329 5.528) 13.572 4.204 ( -5.045 -7.418 -0.058) 8.971 4.350 ( -0.305 8.022 1.874) 8.243 4.412 ( 2.011 4.122 -0.898) 4.673 4.454 ( -5.310 -0.263 1.535) 5.534 4.470 ( 1.768 -0.750 -1.619) 2.512 4.633 ( -4.418 -0.343 3.701) 5.773 4.657 ( -2.123 -0.615 0.369) 2.241 4.706 ( 10.481 0.713 -1.403) 10.598 4.715 ( 8.017 -2.647 -3.398) 9.101 4.818 ( 1.281 -0.390 0.729) 1.525 4.855 ( -1.965 -2.139 -4.220) 5.123 4.926 ( 2.959 0.988 1.382) 3.412 5.008 ( -3.732 -2.904 -3.977) 6.178 5.122 ( -3.671 1.001 -0.055) 3.805 5.163 ( -2.830 -2.565 -2.446) 4.536 5.366 ( -0.266 1.602 3.628) 3.975 5.388 ( -2.032 0.374 3.979) 4.483 5.412 ( 1.383 0.432 -3.307) 3.611 5.451 ( 1.110 -2.156 -4.769) 5.350 5.653 ( -0.803 5.810 -3.385) 6.772 5.762 ( -0.120 5.282 -11.960) 13.075 5.862 ( 1.922 -2.234 6.488) 7.126 5.939 ( -0.127 -2.948 -2.930) 4.158 6.034 ( -4.191 4.299 4.678) 7.611 6.104 ( 0.454 -1.799 -0.554) 1.937 6.286 ( 1.664 1.791 1.931) 3.115 6.379 ( 0.916 -7.445 -4.635) 8.818 6.502 ( 2.582 9.236 -1.788) 9.756 6.519 ( 0.362 6.260 -1.543) 6.457 6.624 ( -0.382 -3.638 6.535) 7.489 6.711 ( 8.406 -9.303 2.333) 12.753 6.745 ( -6.489 0.242 -2.316) 6.894 6.788 ( -7.567 -4.350 -2.495) 9.078 6.995 ( -1.375 4.068 9.049) 10.016 7.071 ( -2.647 -1.775 3.257) 4.557 7.105 ( 9.176 1.087 3.653) 9.936 7.193 ( 8.856 -4.613 -1.840) 10.154 7.245 ( -3.121 1.131 -5.431) 6.365 7.260 ( 2.820 0.622 -2.985) 4.154 7.355 ( 0.412 -2.879 -2.676) 3.952 7.392 ( -5.828 -6.095 -6.846) 10.862 7.703 ( 3.470 2.051 0.491) 4.060 7.716 ( -4.289 1.334 -0.492) 4.518 7.770 ( -5.512 2.128 1.926) 6.214 7.813 ( -0.864 -0.151 -0.586) 1.055 7.832 ( -2.897 -2.870 -2.346) 4.704 7.877 ( 4.257 -3.484 -5.704) 7.924 8.193 ( -2.450 1.497 3.857) 4.809 8.216 ( 1.750 -0.328 1.704) 2.465 8.391 ( 2.951 -0.708 6.512) 7.184 8.401 ( 0.009 -1.847 8.759) 8.952 8.496 ( -4.977 1.703 -2.212) 5.707 8.532 ( -1.625 -1.972 -3.290) 4.166 8.661 ( 2.714 0.919 -0.051) 2.866 8.674 ( 0.077 -0.567 -1.502) 1.608 8.784 ( -2.452 1.380 1.044) 3.002 8.814 ( 3.502 -1.560 -2.324) 4.483 8.980 ( -2.678 -2.452 0.835) 3.726 9.008 ( 2.036 -4.908 -1.991) 5.674 9.204 ( 3.065 5.790 7.346) 9.843 9.311 ( 0.121 -0.956 1.527) 1.806 9.351 ( -2.852 0.042 0.302) 2.868 9.428 ( -3.318 -2.830 -3.314) 5.477 9.690 ( -1.776 1.735 0.533) 2.539 9.744 ( 3.053 -2.163 -5.222) 6.424 10.096 ( 3.246 4.841 4.078) 7.114 10.146 ( -3.229 3.613 -0.320) 4.856 10.190 ( -2.789 -0.674 5.053) 5.811 10.239 ( 4.369 -3.679 1.233) 5.844 10.337 ( -0.570 5.453 3.814) 6.678 10.397 ( 0.264 0.628 0.050) 0.683 10.473 ( -0.686 2.477 0.493) 2.618 10.510 ( 0.567 -0.658 -1.464) 1.702 10.555 ( 2.500 0.568 -3.312) 4.189 10.589 ( 3.456 -1.187 -4.176) 5.549 10.967 ( -3.365 4.186 2.554) 5.947 11.011 ( 1.649 0.393 -1.084) 2.012 11.267 ( -2.823 0.015 1.298) 3.107 11.292 ( -2.075 -1.964 -0.652) 2.931 11.539 ( 2.761 -0.939 4.338) 5.227 11.591 ( -3.914 -3.681 0.362) 5.385 11.642 ( 0.269 -3.041 2.281) 3.811 11.685 ( -0.785 -4.667 -0.777) 4.796 11.793 ( 3.812 -0.071 -3.298) 5.041 11.813 ( 2.175 -1.906 -5.507) 6.220 12.187 ( -1.028 0.052 0.744) 1.270 12.244 ( -1.603 -5.634 -4.023) 7.106 12.475 ( -0.912 1.434 -1.386) 2.193 12.498 ( -1.925 -0.673 -2.981) 3.611 12.935 ( 1.503 -0.024 0.539) 1.597 12.948 ( -2.326 -1.258 -0.765) 2.753 13.071 ( -1.007 1.227 -0.469) 1.655 13.073 ( 1.139 1.255 -0.730) 1.846 13.246 ( 1.419 -0.664 0.699) 1.715 13.261 ( 7.483 -1.984 -0.725) 7.775 13.574 ( 0.765 2.545 1.836) 3.230 13.604 ( -2.164 -0.226 -1.364) 2.568 13.992 ( 7.006 3.736 2.366) 8.285 14.022 ( -2.744 1.580 -0.624) 3.227 14.214 ( 2.717 2.231 4.186) 5.466 14.255 ( -3.406 0.762 0.986) 3.627 14.406 ( 4.508 -0.068 4.862) 6.631 14.496 ( -6.175 -5.614 -3.570) 9.078 14.821 ( -3.406 2.736 -2.560) 5.063 14.839 ( 3.023 1.516 -3.595) 4.935 14.937 ( 1.723 -0.299 0.236) 1.765 14.945 ( -1.977 -0.692 -0.290) 2.114 15.136 ( -0.639 0.604 0.945) 1.290 15.170 ( 1.075 -2.250 -2.321) 3.406 15.725 ( 0.474 1.582 3.351) 3.736 15.761 ( 0.510 -1.353 -0.327) 1.482 16.111 ( -2.611 5.431 1.374) 6.181 16.141 ( 2.781 3.696 -1.402) 4.833 16.376 ( 6.181 -2.660 0.832) 6.780 16.389 ( -8.115 -5.348 -0.332) 9.724 16.494 ( -1.421 -0.361 1.407) 2.032 16.513 ( 1.228 -1.431 -0.441) 1.937 17.017 ( -1.827 1.993 1.441) 3.064 17.026 ( -0.299 1.126 0.502) 1.269 18.496 ( -0.605 0.636 1.082) 1.393 18.499 ( 0.435 0.397 0.870) 1.051 18.650 ( 0.691 -0.537 1.043) 1.362 18.677 ( -0.875 -3.064 -1.519) 3.530 19.371 ( 0.056 2.032 2.700) 3.379 19.415 ( 0.354 -2.269 2.182) 3.168 19.429 ( 0.023 1.604 -2.940) 3.349 19.462 ( -0.212 -1.722 -2.453) 3.005 25.234 ( 0.428 1.245 1.677) 2.132 25.255 ( -1.483 -0.604 0.681) 1.740 25.278 ( 0.175 0.697 -0.837) 1.103 25.297 ( 1.171 -0.989 -1.644) 2.248 26.989 ( -0.474 -0.019 -0.275) 0.549 26.993 ( 0.213 -0.426 -0.714) 0.858 27.154 ( -0.681 0.735 -0.083) 1.006 27.174 ( 1.781 -1.034 -2.124) 2.958 28.201 ( -0.560 4.956 1.803) 5.303 28.228 ( -0.485 6.103 -1.049) 6.212 28.254 ( -0.384 -0.983 2.638) 2.841 28.295 ( -0.130 -1.051 -1.635) 1.948 28.611 ( 2.401 2.112 8.853) 9.413 28.645 ( 1.024 -0.720 6.332) 6.455 28.738 ( -0.279 -0.368 -3.099) 3.134 28.751 ( -2.234 -0.832 -4.008) 4.663 28.915 ( -0.734 2.343 0.177) 2.462 28.944 ( 1.506 -0.349 -2.138) 2.638 29.827 ( -1.361 2.988 -4.458) 5.537 29.882 ( -0.122 -2.379 -9.402) 9.699 30.144 ( -1.464 0.866 0.896) 1.922 30.171 ( 1.599 -1.783 -1.657) 2.913 30.413 ( -0.824 0.395 0.685) 1.142 30.421 ( -2.656 -0.419 -0.155) 2.693 30.472 ( 3.419 0.344 -0.133) 3.439 30.478 ( -0.279 -0.235 -0.721) 0.808 31.333 ( -0.447 -0.373 8.371) 8.391 31.410 ( 1.272 -8.144 1.073) 8.312 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 12.334 9.037 5.194) 16.149 1.702 ( 9.586 -7.967 -9.135) 15.454 2.045 ( 4.631 5.218 -7.056) 9.922 2.061 ( 10.771 5.408 12.033) 17.031 2.449 ( -1.667 1.494 2.033) 3.023 2.541 ( 1.814 -5.670 5.293) 7.966 2.688 ( -2.134 6.906 0.086) 7.228 2.761 ( -0.594 1.563 -3.851) 4.199 2.871 ( 2.158 0.857 -1.592) 2.815 2.930 ( -1.435 -3.706 0.033) 3.974 3.042 ( -6.623 7.689 1.026) 10.200 3.136 ( -3.761 -0.029 3.877) 5.401 3.330 ( -3.141 9.350 -4.084) 10.675 3.393 ( 0.223 4.251 13.591) 14.242 3.446 ( 0.024 6.247 -5.762) 8.499 3.536 ( 4.279 2.668 -0.104) 5.044 3.642 ( -5.175 2.047 -7.513) 9.350 3.709 ( -1.214 -1.106 0.233) 1.659 3.784 ( 1.142 1.605 -1.410) 2.422 3.835 ( 0.354 -2.423 2.920) 3.811 3.868 ( 2.088 -2.134 1.534) 3.357 3.900 ( 7.889 -2.746 2.542) 8.732 4.021 ( 7.970 3.209 0.495) 8.607 4.065 ( 5.071 1.252 1.608) 5.466 4.207 ( 10.621 0.035 1.086) 10.677 4.260 ( 3.397 -1.537 0.371) 3.747 4.314 ( -2.594 4.413 3.062) 5.965 4.432 ( 9.778 -3.203 2.719) 10.642 4.457 ( 1.405 0.613 -0.873) 1.764 4.540 ( -2.530 -2.829 -1.965) 4.274 4.561 ( 5.212 4.877 -7.011) 10.005 4.686 ( 4.024 -4.825 0.795) 6.333 4.816 ( 1.437 4.424 0.600) 4.690 4.834 ( 1.848 3.815 3.306) 5.375 4.899 ( 6.987 3.697 -6.498) 10.233 4.944 ( 1.249 3.148 3.408) 4.805 4.981 ( -3.616 -2.334 5.293) 6.822 5.046 ( -0.429 -4.803 0.048) 4.823 5.077 ( 10.174 -3.734 -6.744) 12.764 5.165 ( 13.039 -6.744 4.116) 15.246 5.358 ( 1.340 -0.053 -0.465) 1.420 5.377 ( 2.651 -1.183 0.837) 3.021 5.476 ( 3.402 6.544 1.544) 7.535 5.549 ( 2.451 3.906 2.425) 5.210 5.671 ( 1.817 1.255 -9.898) 10.141 5.713 ( -1.996 -1.850 -8.349) 8.781 5.872 ( -0.627 5.104 4.426) 6.785 5.910 ( -4.719 5.569 2.134) 7.606 5.987 ( 2.578 -6.013 2.024) 6.848 6.054 ( -3.256 -5.979 0.871) 6.864 6.266 ( -8.200 -0.601 -0.500) 8.237 6.301 ( -5.490 -0.192 -4.015) 6.804 6.367 ( -7.425 0.706 -6.404) 9.831 6.488 ( -7.478 -5.745 0.360) 9.437 6.594 ( -1.001 4.367 -3.104) 5.451 6.669 ( -2.271 -2.458 5.570) 6.498 6.678 ( -5.004 2.553 1.485) 5.810 6.804 ( -0.393 -7.390 7.477) 10.520 6.946 ( -3.904 2.956 3.925) 6.276 6.990 ( -3.722 -1.617 -1.441) 4.306 7.114 ( -4.754 3.679 -3.907) 7.170 7.189 ( -6.511 -4.576 -6.793) 10.463 7.257 ( 0.188 -0.470 -0.438) 0.669 7.300 ( -1.168 -2.948 0.892) 3.293 7.371 ( 2.342 2.079 -2.339) 3.909 7.420 ( 3.032 -1.825 -3.753) 5.158 7.615 ( -4.123 1.447 1.076) 4.500 7.655 ( -0.210 -2.783 2.187) 3.546 7.703 ( -6.084 -1.733 0.163) 6.328 7.713 ( -3.425 -3.031 -0.451) 4.596 7.913 ( 3.024 3.186 -0.054) 4.393 7.968 ( 4.009 -1.190 0.075) 4.182 8.151 ( -1.244 1.629 1.941) 2.823 8.215 ( 0.075 -4.179 -1.136) 4.331 8.334 ( -6.102 5.582 6.730) 10.662 8.419 ( -3.100 -2.664 5.789) 7.086 8.493 ( 1.045 -1.300 1.375) 2.162 8.508 ( 1.806 -2.729 -1.855) 3.761 8.611 ( -2.779 0.917 0.044) 2.927 8.653 ( -4.906 -2.565 0.168) 5.538 8.778 ( 2.285 5.802 0.058) 6.236 8.874 ( 1.818 -1.846 -2.925) 3.908 8.965 ( 2.022 -0.376 -2.004) 2.871 9.049 ( 2.436 -7.996 0.019) 8.359 9.227 ( -1.540 6.359 0.448) 6.558 9.296 ( 0.788 3.556 3.249) 4.881 9.344 ( -2.758 -1.659 -0.002) 3.219 9.379 ( -0.169 -7.436 2.181) 7.751 9.710 ( 2.751 5.758 -0.999) 6.459 9.822 ( 4.775 -4.707 -2.946) 7.323 10.059 ( -1.890 4.051 -0.051) 4.470 10.111 ( -2.604 0.339 1.572) 3.061 10.164 ( -2.139 4.297 3.820) 6.135 10.253 ( -2.175 -1.451 2.373) 3.531 10.303 ( -2.914 4.260 -0.369) 5.175 10.400 ( 4.183 -4.402 -0.291) 6.080 10.461 ( -0.844 4.762 -0.310) 4.846 10.551 ( 2.762 -2.978 -0.190) 4.066 10.614 ( 2.632 6.074 -7.201) 9.781 10.709 ( 5.302 -1.990 -1.812) 5.946 10.876 ( -7.817 5.280 4.094) 10.284 10.972 ( -9.592 -4.362 5.357) 11.821 11.134 ( -7.133 1.658 -0.214) 7.326 11.147 ( -2.402 0.883 -0.830) 2.691 11.471 ( -6.713 -0.504 -1.805) 6.970 11.536 ( -5.025 -7.523 3.714) 9.780 11.615 ( -1.331 1.473 -0.669) 2.095 11.670 ( -0.623 -4.209 -0.640) 4.303 11.785 ( -3.369 0.536 -4.886) 5.959 11.823 ( -0.123 -2.706 -5.226) 5.886 12.117 ( -5.258 -1.996 3.685) 6.724 12.148 ( -6.329 -5.485 -0.835) 8.416 12.474 ( 0.084 1.449 0.684) 1.604 12.491 ( 1.636 -0.155 -0.770) 1.815 12.966 ( 2.312 2.913 1.865) 4.161 13.016 ( 0.548 -0.107 1.362) 1.472 13.088 ( 4.664 -0.431 -0.643) 4.728 13.113 ( -1.346 -1.002 -1.891) 2.528 13.265 ( 2.798 4.016 -3.076) 5.781 13.359 ( -0.358 -4.800 -4.206) 6.392 13.684 ( 5.843 4.392 -4.777) 8.732 13.707 ( 10.157 1.800 -1.177) 10.382 13.983 ( 5.013 -0.452 0.590) 5.068 14.049 ( -1.389 -5.882 -2.855) 6.684 14.234 ( 4.012 2.649 0.743) 4.864 14.288 ( 6.471 -2.075 3.263) 7.538 14.521 ( 10.602 7.792 1.960) 13.303 14.707 ( 15.015 -8.344 3.727) 17.577 14.744 ( -0.781 2.867 -2.533) 3.905 14.812 ( -1.852 -4.014 -3.179) 5.445 14.996 ( 4.697 3.165 0.939) 5.741 15.056 ( 4.281 -3.156 1.534) 5.536 15.147 ( 7.035 7.887 -0.881) 10.606 15.303 ( 9.969 -5.932 -2.904) 11.958 15.718 ( -1.475 2.733 3.158) 4.429 15.768 ( -0.060 -0.305 -1.009) 1.056 16.023 ( -3.159 2.437 0.399) 4.010 16.139 ( -6.548 -5.805 0.355) 8.758 16.356 ( 5.611 8.041 -0.863) 9.843 16.465 ( -1.056 -1.459 0.672) 1.922 16.541 ( 3.511 -0.060 -0.077) 3.512 16.583 ( 11.998 -5.700 0.817) 13.308 17.012 ( 1.423 3.976 2.559) 4.938 17.060 ( 2.921 -0.741 2.347) 3.820 18.448 ( -4.438 2.052 0.847) 4.962 18.480 ( -2.465 -0.774 0.703) 2.678 18.593 ( -4.556 1.687 -0.438) 4.878 18.647 ( -3.360 -3.893 0.715) 5.192 19.293 ( -8.024 1.554 1.873) 8.385 19.318 ( -9.258 -0.362 0.193) 9.268 19.382 ( -4.735 -0.364 -1.889) 5.111 19.396 ( -4.993 -1.318 -1.297) 5.325 25.221 ( -0.029 3.911 1.910) 4.353 25.283 ( 1.585 3.854 -2.391) 4.804 25.308 ( 4.114 -4.542 2.162) 6.498 25.381 ( 5.989 -5.964 -2.704) 8.874 26.983 ( 0.198 1.158 -0.387) 1.237 27.007 ( 0.725 -1.087 -0.133) 1.313 27.143 ( -0.269 2.849 -1.124) 3.074 27.200 ( 0.827 -2.347 -2.493) 3.522 28.194 ( 0.070 5.601 2.571) 6.163 28.246 ( 2.178 5.890 0.754) 6.325 28.271 ( 1.589 -0.495 2.454) 2.965 28.340 ( 4.518 -1.781 -0.984) 4.955 28.659 ( 1.285 2.425 7.611) 8.091 28.670 ( 1.779 0.431 2.527) 3.121 28.759 ( 3.945 1.586 -3.714) 5.645 28.838 ( 6.807 -4.881 0.828) 8.417 28.939 ( 4.844 4.846 -2.870) 7.429 29.010 ( 6.184 -2.318 -2.672) 7.125 29.769 ( -4.391 4.673 -1.023) 6.494 29.849 ( -2.854 -2.822 -7.070) 8.130 29.946 ( -13.802 1.284 1.280) 13.920 30.000 ( -13.926 -4.280 -2.061) 14.714 30.405 ( -0.550 1.046 -0.185) 1.196 30.422 ( 1.268 -0.527 0.545) 1.478 30.597 ( 7.997 2.638 0.028) 8.421 30.640 ( 9.948 -1.166 -0.331) 10.021 31.206 ( -12.022 0.608 6.537) 13.697 31.304 ( -10.853 -9.020 0.061) 14.112 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 13.524 8.597 -2.093) 16.162 1.928 ( 12.390 -3.206 -6.674) 14.434 2.152 ( 3.508 1.877 0.837) 4.066 2.213 ( 6.616 -1.119 7.882) 10.351 2.476 ( 4.042 4.878 5.817) 8.600 2.494 ( -4.908 4.689 4.260) 8.014 2.685 ( -1.455 4.597 -1.415) 5.025 2.775 ( -2.522 3.716 -3.330) 5.591 2.803 ( -3.317 -2.972 -1.263) 4.630 2.903 ( -3.943 -7.939 -1.043) 8.926 3.035 ( 5.677 3.451 0.845) 6.697 3.064 ( 4.665 0.506 3.650) 5.945 3.323 ( -1.020 6.696 2.641) 7.270 3.349 ( -2.532 3.220 1.958) 4.541 3.428 ( -1.666 8.498 -3.825) 9.467 3.594 ( -4.476 -5.362 -7.741) 10.426 3.638 ( -1.839 3.034 -1.813) 3.984 3.653 ( 1.289 5.453 3.895) 6.824 3.707 ( 6.587 -3.610 -4.944) 8.992 3.793 ( -2.726 -6.608 2.353) 7.525 3.991 ( 2.457 2.069 3.770) 4.953 4.041 ( 0.847 -1.841 1.895) 2.775 4.135 ( 2.088 4.184 -5.886) 7.517 4.159 ( -2.916 3.569 -1.274) 4.782 4.257 ( 9.613 -1.477 -2.749) 10.106 4.299 ( -0.471 -4.300 -1.775) 4.676 4.420 ( 8.030 6.273 -4.872) 11.294 4.542 ( 5.818 -4.918 -4.174) 8.687 4.595 ( 6.464 7.578 0.504) 9.974 4.679 ( -3.073 4.579 2.690) 6.136 4.725 ( -2.703 1.457 -1.164) 3.284 4.745 ( 2.000 -4.248 4.813) 6.723 4.795 ( 12.973 -0.107 4.186) 13.632 4.848 ( 11.155 -0.784 1.854) 11.335 4.927 ( -1.859 0.746 7.248) 7.520 4.967 ( 1.902 0.773 6.418) 6.739 5.031 ( 9.854 6.732 1.001) 11.976 5.182 ( 8.962 -7.036 2.465) 11.657 5.310 ( 10.806 -0.078 0.095) 10.806 5.358 ( 3.060 -1.472 4.673) 5.777 5.391 ( -2.896 3.007 -0.920) 4.274 5.430 ( 4.760 1.295 -2.583) 5.568 5.525 ( -1.229 6.497 -7.516) 10.010 5.587 ( 2.618 0.941 -4.725) 5.484 5.623 ( 0.194 -2.400 -2.830) 3.715 5.707 ( -1.616 -8.398 -3.038) 9.076 5.804 ( 1.575 8.377 2.388) 8.852 5.965 ( 6.153 2.581 8.208) 10.578 6.042 ( 0.127 -7.691 -1.073) 7.767 6.086 ( 5.746 -4.685 3.030) 8.009 6.095 ( -7.035 -2.251 -1.327) 7.504 6.180 ( -3.643 -3.851 -4.531) 6.974 6.273 ( -2.691 2.105 -5.275) 6.285 6.385 ( -1.474 -6.659 -1.103) 6.909 6.523 ( -6.506 1.836 -0.734) 6.800 6.542 ( -6.365 2.767 -1.245) 7.051 6.663 ( 1.794 2.462 7.048) 7.678 6.750 ( -2.453 -3.084 8.504) 9.372 6.862 ( -1.634 2.509 3.042) 4.269 6.950 ( -2.721 -3.229 0.692) 4.279 7.043 ( -4.322 0.236 -0.352) 4.343 7.068 ( -5.265 -3.900 -2.278) 6.937 7.117 ( -9.637 1.258 -2.781) 10.109 7.196 ( -9.111 -4.362 -2.288) 10.357 7.384 ( -1.554 6.173 3.682) 7.354 7.461 ( -0.949 -2.751 -4.805) 5.617 7.496 ( -5.438 -0.013 -1.177) 5.564 7.567 ( -5.691 -4.758 8.119) 10.997 7.700 ( 0.462 0.562 -3.980) 4.046 7.712 ( 2.678 -1.285 -2.649) 3.980 7.942 ( -0.158 0.431 0.325) 0.562 7.970 ( -4.069 -1.448 2.057) 4.784 8.137 ( -0.921 2.129 -1.336) 2.677 8.185 ( -4.082 -4.027 -4.528) 7.306 8.268 ( -0.229 5.031 2.391) 5.575 8.361 ( -1.866 -3.289 1.682) 4.139 8.443 ( -4.160 1.235 -0.096) 4.340 8.475 ( -5.378 -2.080 -0.617) 5.799 8.607 ( 0.143 -0.131 -0.428) 0.470 8.619 ( 2.162 -1.325 2.297) 3.422 8.830 ( 3.457 5.102 1.610) 6.370 8.903 ( 2.482 -1.286 -0.842) 2.919 9.038 ( 4.250 -0.307 -2.589) 4.986 9.096 ( 1.479 -5.645 2.425) 6.319 9.200 ( -0.520 3.293 -2.086) 3.933 9.269 ( -3.246 -1.227 -0.772) 3.555 9.299 ( -2.600 1.040 1.155) 3.029 9.341 ( -4.144 -3.914 1.268) 5.840 9.747 ( 0.815 5.842 0.019) 5.899 9.874 ( -0.534 -6.426 -1.256) 6.570 10.027 ( -1.914 7.026 2.958) 7.860 10.124 ( 0.993 3.818 -1.761) 4.321 10.130 ( -3.515 -3.055 -0.883) 4.740 10.152 ( 2.997 0.157 1.447) 3.331 10.373 ( 4.477 5.142 1.600) 7.003 10.424 ( -2.391 5.788 1.339) 6.404 10.494 ( 5.378 -5.309 -1.323) 7.672 10.535 ( -6.513 -3.750 5.596) 9.370 10.622 ( -0.517 7.883 -5.637) 9.705 10.722 ( -3.559 1.160 1.234) 3.941 10.750 ( -1.262 -3.566 -0.204) 3.788 10.780 ( -6.001 -3.284 3.003) 7.470 11.104 ( 1.792 4.453 -0.938) 4.891 11.175 ( 2.832 -1.152 -0.319) 3.074 11.375 ( -2.925 -0.765 -3.383) 4.537 11.418 ( -5.482 -4.457 -4.193) 8.216 11.594 ( -3.691 0.939 0.062) 3.809 11.634 ( -0.313 -0.553 -2.130) 2.223 11.739 ( -0.645 1.316 -0.989) 1.768 11.834 ( 2.758 -4.937 -3.752) 6.787 12.008 ( -5.181 -0.850 3.224) 6.162 12.060 ( -3.124 -6.304 4.482) 8.342 12.468 ( -1.229 2.719 3.403) 4.526 12.518 ( 0.484 -1.822 0.558) 1.966 12.890 ( -9.736 4.204 -3.213) 11.081 12.934 ( -10.843 0.534 -1.519) 10.962 13.073 ( 2.470 1.817 3.306) 4.509 13.130 ( 1.108 -3.904 1.487) 4.323 13.317 ( 1.823 3.396 -4.765) 6.129 13.371 ( -0.176 -2.269 -3.247) 3.965 13.774 ( 5.353 3.608 -4.567) 7.907 13.857 ( 4.620 -3.332 -5.201) 7.713 14.081 ( 3.061 -0.605 0.177) 3.126 14.101 ( 3.624 -1.625 1.359) 4.198 14.386 ( 10.694 1.123 1.251) 10.826 14.450 ( 8.591 -4.963 0.741) 9.949 14.680 ( 5.813 8.508 0.380) 10.311 14.821 ( 2.446 -4.376 -2.989) 5.837 14.856 ( 10.002 1.706 -2.455) 10.439 14.947 ( 8.631 -7.778 3.247) 12.064 15.062 ( 2.760 4.950 0.550) 5.694 15.128 ( 3.955 -2.017 1.414) 4.660 15.365 ( 11.344 7.091 3.950) 13.949 15.519 ( 11.638 -6.260 -2.568) 13.462 15.670 ( -3.360 4.488 4.093) 6.941 15.754 ( -1.324 -0.637 -0.118) 1.474 15.997 ( -1.136 -1.855 0.718) 2.290 16.022 ( -2.596 -3.522 -2.036) 4.825 16.396 ( -0.530 3.098 -0.749) 3.231 16.449 ( -1.262 -2.792 -0.179) 3.070 16.693 ( 10.381 6.332 -1.758) 12.286 16.813 ( 9.154 -4.784 -0.851) 10.364 17.071 ( 4.851 3.555 2.319) 6.446 17.125 ( 3.439 -1.488 2.714) 4.627 18.345 ( -5.035 3.771 -0.139) 6.293 18.408 ( -4.498 -1.982 -0.298) 4.924 18.500 ( -5.019 2.107 -0.231) 5.448 18.552 ( -5.964 -3.121 1.187) 6.835 19.101 ( -10.141 0.585 0.753) 10.186 19.110 ( -10.621 -0.214 0.308) 10.628 19.273 ( -5.280 0.490 -0.992) 5.394 19.298 ( -4.828 -1.846 -1.216) 5.310 25.237 ( 1.308 6.340 2.863) 7.078 25.319 ( 2.027 6.461 -3.588) 7.664 25.396 ( 4.306 -9.392 3.397) 10.876 25.497 ( 5.372 -11.527 -4.308) 13.427 26.994 ( 0.874 2.009 -0.566) 2.263 27.017 ( 0.310 0.074 -0.014) 0.319 27.142 ( 0.141 3.283 -1.099) 3.465 27.201 ( -0.598 -2.037 -2.185) 3.047 28.214 ( 1.930 6.505 3.212) 7.507 28.298 ( 2.867 0.893 3.738) 4.795 28.316 ( 2.452 6.112 1.125) 6.681 28.436 ( 4.293 -2.296 -0.797) 4.934 28.668 ( -0.321 3.524 6.373) 7.289 28.705 ( 1.644 -0.763 -0.482) 1.875 28.868 ( 7.024 1.794 -4.375) 8.467 28.942 ( 4.982 -3.940 1.091) 6.445 29.112 ( 9.711 4.604 -3.440) 11.284 29.192 ( 11.617 -3.490 -3.917) 12.746 29.655 ( -8.242 2.077 4.528) 9.631 29.684 ( -13.360 -1.267 0.090) 13.420 29.742 ( -5.538 1.053 -1.258) 5.776 29.808 ( -2.460 -4.692 -3.145) 6.161 30.359 ( -5.296 2.429 -1.036) 5.917 30.409 ( -4.252 -2.315 -0.638) 4.883 30.707 ( 2.149 5.090 3.447) 6.513 30.804 ( 6.329 -2.403 1.210) 6.877 30.943 ( -12.315 1.951 2.283) 12.676 31.078 ( -9.337 -9.399 -2.505) 13.483 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 5.436 6.459 -2.576) 8.827 2.054 ( -1.089 -0.459 -3.905) 4.080 2.231 ( 5.983 4.266 6.683) 9.933 2.342 ( 3.945 -5.493 4.673) 8.220 2.436 ( -0.430 5.958 -0.828) 6.031 2.487 ( -3.807 1.656 -4.836) 6.374 2.674 ( 4.593 8.040 6.113) 11.095 2.751 ( 0.297 4.085 -0.029) 4.096 2.774 ( -0.059 -1.779 3.304) 3.753 2.838 ( -2.786 -4.231 1.028) 5.169 3.125 ( -0.192 6.475 8.515) 10.699 3.179 ( 0.557 1.782 4.408) 4.787 3.318 ( 2.290 2.604 -2.777) 4.443 3.349 ( 3.796 2.730 -8.330) 9.553 3.412 ( 0.226 4.651 0.205) 4.660 3.523 ( -1.135 1.100 1.274) 2.030 3.579 ( 1.613 -2.202 -13.470) 13.744 3.669 ( -3.373 -6.741 -3.386) 8.263 3.805 ( 5.974 5.088 0.722) 7.881 3.898 ( 4.621 -2.916 -0.373) 5.477 3.941 ( -4.210 0.276 0.077) 4.219 3.991 ( -1.822 -2.592 -0.000) 3.168 4.089 ( 0.968 5.598 -0.501) 5.703 4.212 ( -0.993 -3.292 0.687) 3.507 4.294 ( 0.541 -0.381 -1.161) 1.336 4.321 ( -1.409 -1.056 -0.811) 1.939 4.490 ( -7.127 1.816 -1.572) 7.521 4.529 ( -8.194 -0.958 -1.166) 8.331 4.645 ( 6.599 1.480 -0.178) 6.765 4.658 ( 4.103 1.901 1.459) 4.752 4.722 ( 4.346 4.980 -0.290) 6.616 4.806 ( 4.213 1.206 1.441) 4.613 4.873 ( 1.473 4.634 2.213) 5.342 4.986 ( 6.324 -1.104 1.197) 6.530 4.998 ( -5.708 -1.371 -0.537) 5.895 5.078 ( 5.309 -4.401 5.179) 8.624 5.211 ( -7.088 3.905 0.742) 8.127 5.227 ( 5.368 2.264 -2.523) 6.348 5.286 ( 3.151 0.025 -0.528) 3.196 5.344 ( -2.944 -1.494 -0.071) 3.303 5.443 ( 1.867 4.456 1.255) 4.992 5.564 ( 7.516 3.526 5.244) 9.820 5.594 ( 2.202 -3.677 -2.242) 4.837 5.610 ( 1.356 -3.553 -5.554) 6.731 5.658 ( 1.267 -4.807 3.312) 5.974 5.707 ( 5.646 -1.231 -0.319) 5.788 5.820 ( -7.935 -3.328 1.202) 8.688 5.892 ( -10.022 -6.853 -2.688) 12.435 6.008 ( 1.939 5.113 3.776) 6.646 6.060 ( 0.096 4.759 -3.252) 5.765 6.167 ( -2.188 -4.674 7.240) 8.891 6.216 ( 4.206 -2.864 -0.011) 5.089 6.333 ( 10.942 5.829 -2.929) 12.739 6.453 ( 1.223 -4.409 0.215) 4.580 6.471 ( 6.685 1.471 2.544) 7.302 6.518 ( 3.813 1.270 0.123) 4.021 6.682 ( -3.055 1.364 0.738) 3.426 6.712 ( -3.710 -0.217 6.234) 7.258 6.815 ( -1.433 5.393 2.528) 6.127 6.931 ( 3.140 -2.041 4.609) 5.939 6.959 ( -4.264 -1.776 -2.976) 5.495 6.979 ( -5.566 -4.880 -3.403) 8.148 7.001 ( -4.086 -2.496 -1.785) 5.110 7.042 ( 0.238 -4.740 0.612) 4.785 7.361 ( 2.831 2.694 5.410) 6.674 7.404 ( 1.386 -1.252 0.406) 1.911 7.478 ( -2.859 -1.598 7.368) 8.063 7.494 ( -1.323 -2.653 3.202) 4.364 7.646 ( -4.532 4.057 -2.294) 6.501 7.742 ( -1.175 -4.137 -5.285) 6.814 7.844 ( -6.695 1.999 -4.904) 8.536 7.866 ( -6.812 1.130 -5.135) 8.605 8.112 ( 0.603 -2.344 -4.583) 5.183 8.132 ( -3.606 -3.708 -0.967) 5.262 8.280 ( 2.047 1.707 -1.692) 3.157 8.333 ( 0.119 -0.256 -1.659) 1.683 8.343 ( -4.331 -0.148 -0.426) 4.355 8.410 ( -2.629 -2.660 -2.229) 4.354 8.628 ( 2.460 2.287 0.002) 3.359 8.651 ( 0.719 -0.066 0.779) 1.062 8.928 ( 5.325 2.525 3.775) 6.999 8.965 ( 2.354 -1.240 2.170) 3.433 9.095 ( 1.819 -0.066 0.769) 1.976 9.117 ( 1.479 -2.400 -0.161) 2.824 9.190 ( -0.932 1.025 -0.208) 1.401 9.206 ( -1.842 -0.678 -2.375) 3.082 9.226 ( -3.825 0.914 1.087) 4.080 9.244 ( -5.180 -1.536 -0.860) 5.472 9.761 ( 0.682 2.748 1.002) 3.004 9.827 ( -2.853 -3.233 -1.957) 4.735 10.010 ( -0.528 3.592 4.718) 5.953 10.041 ( -1.970 1.308 0.872) 2.521 10.221 ( 4.117 1.671 -0.322) 4.455 10.241 ( 4.067 -1.550 -2.103) 4.834 10.345 ( -3.018 2.129 6.114) 7.143 10.373 ( -4.321 -0.699 3.612) 5.675 10.478 ( 1.111 7.187 -2.508) 7.693 10.571 ( 0.291 0.574 -3.525) 3.584 10.627 ( 2.721 0.191 -2.642) 3.798 10.688 ( -2.318 -3.024 0.379) 3.829 10.719 ( 1.214 0.505 -0.719) 1.499 10.742 ( -0.264 -1.776 -0.941) 2.027 11.154 ( 2.707 -0.015 1.516) 3.103 11.208 ( -0.992 -3.996 1.417) 4.354 11.341 ( 0.687 1.442 -2.865) 3.280 11.372 ( -0.874 -0.815 -3.583) 3.777 11.502 ( -3.702 -0.379 1.488) 4.008 11.579 ( -3.204 -6.321 -4.541) 8.417 11.814 ( 4.445 5.326 3.476) 7.759 11.889 ( -0.897 -2.500 2.881) 3.919 11.960 ( 3.377 1.244 -3.174) 4.798 11.996 ( -3.661 -0.528 -0.537) 3.737 12.457 ( 1.482 0.025 7.901) 8.039 12.504 ( -1.064 -3.858 6.537) 7.665 12.721 ( -6.100 2.441 -8.088) 10.420 12.742 ( -6.825 0.179 -6.852) 9.673 13.122 ( 1.395 1.007 3.932) 4.292 13.156 ( 1.556 -2.191 1.319) 2.993 13.311 ( -1.264 1.797 -4.007) 4.570 13.337 ( -2.196 -0.448 -3.580) 4.223 13.881 ( 5.009 1.696 -0.563) 5.318 13.928 ( 2.285 -2.126 -0.144) 3.124 14.076 ( -1.685 -0.110 -2.424) 2.954 14.110 ( -2.454 -2.464 -1.546) 3.805 14.583 ( 6.692 -0.929 1.287) 6.878 14.594 ( 4.930 -2.091 0.986) 5.445 14.787 ( 4.518 4.236 1.230) 6.314 14.859 ( 0.597 -2.722 -2.080) 3.478 15.000 ( 3.507 1.298 -0.450) 3.766 15.032 ( 1.323 -0.071 -0.783) 1.539 15.136 ( 3.263 0.072 0.800) 3.360 15.176 ( 0.757 -2.197 -0.682) 2.422 15.506 ( 2.398 8.762 7.702) 11.910 15.617 ( -0.504 7.041 -0.587) 7.084 15.687 ( 0.611 -8.155 5.929) 10.101 15.739 ( 3.026 -4.441 -0.558) 5.403 15.985 ( 1.986 2.327 -1.119) 3.258 16.038 ( 0.511 -4.287 -2.335) 4.908 16.390 ( 0.199 -0.130 -0.937) 0.967 16.417 ( -1.224 -2.751 -1.637) 3.427 16.847 ( 4.216 5.263 0.257) 6.748 16.888 ( -0.332 1.614 0.603) 1.754 17.178 ( 3.472 0.343 1.363) 3.746 17.199 ( 4.461 -1.662 -1.816) 5.095 18.288 ( -0.514 3.567 0.021) 3.604 18.330 ( -3.404 -0.003 -0.393) 3.427 18.414 ( -2.191 -0.093 -0.877) 2.361 18.434 ( -5.194 -1.471 0.523) 5.423 18.953 ( -4.222 0.562 0.738) 4.322 18.962 ( -3.529 -0.260 -0.777) 3.623 19.200 ( -1.926 0.214 0.255) 1.955 19.225 ( -2.327 -2.120 -1.405) 3.447 25.262 ( 0.869 7.507 3.537) 8.344 25.347 ( 0.726 7.860 -4.286) 8.982 25.463 ( 2.045 -12.431 4.290) 13.308 25.568 ( 1.798 -14.363 -5.229) 15.391 27.011 ( 0.600 2.369 -0.388) 2.475 27.020 ( 0.314 1.532 -1.016) 1.865 27.146 ( 0.214 2.147 0.128) 2.161 27.180 ( -1.350 -0.838 -1.600) 2.255 28.267 ( 3.116 6.825 3.510) 8.284 28.336 ( -0.656 6.825 1.303) 6.979 28.360 ( 3.015 1.548 4.753) 5.838 28.470 ( -0.933 -0.992 -1.118) 1.762 28.675 ( 0.890 4.013 4.714) 6.254 28.735 ( 0.982 -1.986 -0.677) 2.317 29.002 ( 1.552 -0.433 -2.160) 2.695 29.012 ( 4.669 -1.569 -4.101) 6.409 29.249 ( 6.425 5.359 -1.177) 8.449 29.371 ( 4.597 -6.194 -3.063) 8.300 29.439 ( -9.722 1.756 -2.222) 10.126 29.493 ( -7.683 -3.156 -1.269) 8.402 29.816 ( 11.866 1.435 5.490) 13.153 29.863 ( 9.397 -2.771 3.469) 10.393 30.170 ( -13.184 1.703 -1.674) 13.398 30.214 ( -14.146 -2.452 -2.081) 14.507 30.708 ( -0.349 4.067 5.049) 6.492 30.786 ( -2.978 -2.328 1.578) 4.096 30.900 ( 2.285 0.977 -0.694) 2.581 30.988 ( -1.393 -6.405 -4.377) 7.882 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -8.545 4.379 1.783) 9.766 2.002 ( -5.538 -0.121 0.986) 5.626 2.262 ( -2.975 5.845 3.296) 7.340 2.368 ( -1.206 -2.961 1.549) 3.552 2.454 ( 2.655 2.896 -2.797) 4.823 2.479 ( 4.465 0.920 -4.340) 6.294 2.680 ( -4.374 5.602 6.986) 9.966 2.772 ( 0.573 2.469 -2.765) 3.751 2.805 ( 0.311 -1.640 3.488) 3.867 2.819 ( 2.255 1.021 0.802) 2.602 3.106 ( 0.169 7.560 5.013) 9.073 3.162 ( 1.425 0.878 6.916) 7.116 3.311 ( -5.519 4.601 -4.434) 8.442 3.366 ( -8.355 2.809 2.935) 9.291 3.432 ( 4.918 3.838 -8.724) 10.725 3.552 ( -1.422 -4.360 -10.093) 11.086 3.599 ( 7.687 2.715 -6.077) 10.168 3.685 ( 4.796 -7.122 -5.258) 10.068 3.809 ( -7.344 6.726 3.251) 10.476 3.890 ( -0.617 2.311 -1.378) 2.761 3.926 ( -0.918 1.683 -2.751) 3.353 4.020 ( 4.603 -5.805 -1.519) 7.563 4.099 ( -5.056 -0.463 1.124) 5.200 4.139 ( -0.476 -5.215 3.712) 6.418 4.309 ( -1.285 2.552 -3.486) 4.507 4.355 ( 6.442 -1.750 -1.055) 6.758 4.438 ( 0.103 -1.291 3.810) 4.024 4.445 ( -1.073 -0.703 5.347) 5.499 4.624 ( -2.096 6.590 3.596) 7.795 4.674 ( -9.383 3.742 -1.312) 10.187 4.731 ( 1.274 -3.625 -0.104) 3.844 4.774 ( -8.863 -4.860 2.332) 10.373 4.929 ( 5.193 6.846 -0.097) 8.593 4.970 ( 6.079 7.376 0.970) 9.607 5.024 ( -4.117 1.368 -0.780) 4.408 5.119 ( -9.324 5.023 2.755) 10.943 5.184 ( 8.503 -3.308 0.313) 9.129 5.219 ( -6.664 -2.364 -1.058) 7.149 5.323 ( -2.699 2.227 -3.329) 4.830 5.337 ( 3.164 0.871 -0.241) 3.291 5.427 ( -4.859 5.429 2.934) 7.855 5.489 ( -3.859 -1.952 4.329) 6.118 5.563 ( -3.615 -6.988 3.434) 8.584 5.589 ( -3.650 -0.962 2.299) 4.420 5.651 ( -8.626 -4.736 0.646) 9.862 5.710 ( 0.497 -6.384 7.084) 9.549 5.828 ( 3.749 -2.906 -3.723) 6.030 5.848 ( 7.214 -4.349 -1.702) 8.593 6.011 ( 1.096 6.112 3.213) 6.992 6.093 ( 1.106 3.546 -3.610) 5.180 6.162 ( -1.008 2.344 1.669) 3.049 6.242 ( -1.301 0.983 2.510) 2.993 6.305 ( -7.366 -3.714 -2.521) 8.625 6.423 ( -5.008 -7.823 0.894) 9.332 6.517 ( -0.275 5.116 0.334) 5.134 6.592 ( -5.143 -0.700 -4.247) 6.707 6.721 ( 4.495 2.915 0.315) 5.367 6.785 ( 12.236 -0.992 -0.467) 12.285 6.819 ( 2.311 4.129 3.790) 6.062 6.917 ( 5.681 3.824 -2.940) 7.452 6.945 ( -1.131 -6.935 0.980) 7.095 6.965 ( -0.402 0.788 -0.831) 1.214 7.028 ( 6.585 -3.654 -0.865) 7.580 7.039 ( -2.147 -4.310 -2.389) 5.375 7.384 ( -4.365 1.516 0.310) 4.631 7.437 ( -4.241 -2.680 -1.125) 5.141 7.511 ( 6.364 3.722 5.142) 8.989 7.570 ( 12.725 -0.491 2.234) 12.929 7.633 ( -4.369 -2.892 -0.780) 5.297 7.650 ( 4.358 -3.607 2.828) 6.324 7.775 ( 1.234 2.567 -1.352) 3.152 7.819 ( 3.329 -0.555 -3.776) 5.065 8.077 ( -0.653 -0.460 -0.038) 0.800 8.146 ( 2.437 -6.123 -2.669) 7.110 8.284 ( -0.401 3.687 -2.400) 4.418 8.337 ( 3.320 2.709 -1.659) 4.595 8.368 ( -0.001 -4.100 -2.457) 4.780 8.398 ( 3.574 -3.314 -1.631) 5.140 8.641 ( -1.407 3.146 -1.232) 3.660 8.677 ( 1.820 0.277 -1.321) 2.265 8.933 ( -4.540 0.575 2.615) 5.271 8.946 ( -4.324 -0.888 2.442) 5.045 9.133 ( -2.922 1.069 -1.639) 3.516 9.154 ( 2.207 -0.077 2.412) 3.271 9.157 ( 0.680 -1.038 -1.311) 1.805 9.168 ( -1.679 -0.998 1.760) 2.629 9.244 ( 7.049 0.497 -2.159) 7.389 9.257 ( 5.995 -0.391 -2.176) 6.390 9.767 ( -1.550 0.360 1.445) 2.149 9.783 ( 0.104 -1.253 1.119) 1.683 9.980 ( -1.247 3.904 5.329) 6.723 10.039 ( 0.471 -1.299 3.156) 3.445 10.217 ( -4.731 1.866 -1.682) 5.356 10.260 ( -2.487 -2.053 -1.616) 3.607 10.302 ( 1.383 5.876 5.784) 8.360 10.413 ( 4.391 -4.127 2.822) 6.654 10.458 ( -1.755 7.541 -0.101) 7.743 10.589 ( -0.060 -2.503 -3.614) 4.396 10.610 ( -0.993 5.248 -1.784) 5.632 10.723 ( -1.649 -2.385 -0.577) 2.956 10.749 ( 3.012 -1.086 -2.192) 3.880 10.754 ( 6.116 -1.749 -6.490) 9.088 11.153 ( -2.841 3.270 1.103) 4.470 11.226 ( 3.494 -3.646 0.638) 5.090 11.284 ( -4.735 -1.210 4.933) 6.944 11.299 ( -5.477 -3.032 -0.707) 6.300 11.547 ( 5.856 -0.638 -1.989) 6.217 11.600 ( 3.807 -4.434 -5.612) 8.102 11.768 ( -6.575 2.833 5.468) 9.009 11.816 ( -4.562 -2.156 6.391) 8.142 11.997 ( 3.253 4.435 -4.568) 7.149 12.075 ( 5.185 -2.232 -4.831) 7.430 12.534 ( 7.392 3.565 8.863) 12.079 12.594 ( 7.522 -1.166 5.682) 9.499 12.639 ( -2.291 0.715 -7.624) 7.992 12.664 ( 0.496 -3.242 -8.096) 8.735 13.127 ( -0.396 1.965 3.673) 4.185 13.175 ( -0.196 -2.350 -0.093) 2.360 13.302 ( -0.106 0.834 -3.132) 3.242 13.318 ( 0.937 -0.293 -2.498) 2.684 13.869 ( -6.773 1.850 0.675) 7.054 13.916 ( -4.531 -1.868 1.223) 5.051 14.062 ( 0.632 -0.096 -1.140) 1.307 14.103 ( 2.887 -3.382 -1.035) 4.565 14.582 ( -5.795 0.152 1.205) 5.921 14.609 ( -4.570 -2.725 -0.081) 5.321 14.818 ( -4.887 0.823 -2.074) 5.372 14.831 ( -0.379 -0.017 0.783) 0.870 14.962 ( -5.560 3.695 1.905) 6.943 15.046 ( -1.948 -3.188 0.007) 3.736 15.129 ( -1.979 2.325 -0.023) 3.053 15.192 ( 0.072 -3.382 -1.365) 3.648 15.502 ( -1.933 7.548 6.552) 10.181 15.615 ( -4.753 2.748 1.811) 5.781 15.662 ( 1.578 0.350 3.780) 4.111 15.786 ( -0.956 -6.698 -0.786) 6.812 15.978 ( -1.045 2.452 -1.181) 2.915 16.035 ( -1.019 -4.417 -2.112) 5.000 16.385 ( 0.124 1.242 -1.166) 1.708 16.435 ( 1.788 -4.082 -2.560) 5.140 16.816 ( -5.557 5.126 2.484) 7.958 16.879 ( -1.864 -0.086 1.976) 2.718 17.199 ( -1.221 2.164 -2.276) 3.370 17.238 ( -0.827 -1.498 -3.337) 3.750 18.281 ( 0.030 2.000 0.435) 2.047 18.307 ( 1.991 -0.188 1.533) 2.520 18.410 ( 3.058 1.679 -0.172) 3.493 18.452 ( 4.889 -2.028 -1.066) 5.399 18.956 ( 4.476 1.489 -0.134) 4.719 18.979 ( 5.109 -0.797 -1.740) 5.456 19.203 ( 2.243 -0.660 0.691) 2.438 19.213 ( 1.253 -1.692 -1.125) 2.387 25.268 ( -0.463 7.487 3.632) 8.334 25.340 ( -1.190 7.796 -4.291) 8.978 25.472 ( -1.395 -12.815 4.423) 13.629 25.558 ( -2.524 -13.950 -5.280) 15.128 27.008 ( -0.520 3.262 -0.574) 3.353 27.035 ( 0.772 0.830 -2.014) 2.311 27.139 ( -1.176 1.726 0.930) 2.286 27.164 ( 0.152 -0.525 -0.166) 0.571 28.297 ( -2.663 7.724 0.523) 8.187 28.322 ( 1.545 6.067 2.602) 6.779 28.407 ( 0.403 0.094 4.746) 4.764 28.425 ( -2.139 1.950 -0.760) 2.993 28.672 ( -2.233 2.343 3.381) 4.681 28.717 ( -2.623 -3.225 2.960) 5.103 28.947 ( -3.636 3.935 -2.447) 5.891 29.056 ( -2.432 -5.711 -3.235) 6.999 29.273 ( -6.568 3.276 -3.860) 8.293 29.330 ( -8.413 -1.970 0.323) 8.647 29.426 ( 11.371 2.024 -0.210) 11.551 29.497 ( 8.230 -4.520 -1.463) 9.502 29.917 ( -9.748 0.756 -4.588) 10.800 29.941 ( -9.263 -1.130 -4.476) 10.350 30.115 ( 14.157 0.207 4.125) 14.747 30.144 ( 15.135 -2.178 4.832) 16.036 30.726 ( 2.171 3.728 4.948) 6.564 30.786 ( 2.864 -0.367 -0.388) 2.914 30.904 ( -1.912 -1.517 1.413) 2.820 30.961 ( -1.335 -5.294 -4.005) 6.771 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -13.989 3.160 7.377) 16.128 1.782 ( -13.104 -2.168 4.018) 13.877 2.131 ( -13.163 6.852 3.227) 15.187 2.276 ( -6.131 -6.730 1.039) 9.163 2.547 ( 7.043 9.632 -1.441) 12.019 2.613 ( 8.307 3.701 -3.339) 9.688 2.690 ( -1.784 5.517 0.337) 5.808 2.710 ( 0.889 4.264 -2.841) 5.201 2.842 ( 1.959 -1.753 -2.405) 3.563 2.893 ( 5.278 -8.658 -1.733) 10.287 3.064 ( -7.321 4.563 -1.043) 8.689 3.098 ( -8.657 1.219 1.020) 8.802 3.210 ( 0.908 8.109 3.574) 8.908 3.286 ( 2.486 -0.536 7.290) 7.721 3.489 ( -6.900 3.978 1.994) 8.210 3.532 ( 3.915 1.694 -5.936) 7.310 3.658 ( -2.029 2.931 -4.948) 6.098 3.720 ( 2.193 0.719 -4.517) 5.073 3.798 ( -0.836 -1.124 -6.523) 6.672 3.835 ( 5.540 -2.646 -1.529) 6.327 3.952 ( 0.035 0.782 3.774) 3.854 4.023 ( -4.076 -2.543 0.499) 4.830 4.128 ( -1.597 5.928 -0.798) 6.191 4.146 ( -5.417 2.120 4.858) 7.579 4.173 ( 5.106 -2.067 -0.967) 5.593 4.290 ( -10.959 -5.721 0.784) 12.387 4.385 ( -1.957 2.046 -1.035) 3.014 4.435 ( -5.233 -2.968 3.447) 6.933 4.541 ( -3.837 5.261 4.862) 8.127 4.673 ( -2.562 -3.763 3.242) 5.589 4.729 ( 5.915 2.536 2.920) 7.067 4.740 ( -8.721 4.039 0.011) 9.611 4.857 ( -7.940 -0.228 -0.465) 7.957 4.867 ( -5.046 -2.365 1.465) 5.762 5.012 ( 2.619 4.447 -2.138) 5.586 5.042 ( -2.170 1.253 -0.947) 2.679 5.086 ( -9.542 3.728 -0.732) 10.271 5.166 ( -13.283 -1.699 2.361) 13.598 5.254 ( -8.097 1.776 6.081) 10.281 5.347 ( 3.601 -0.012 0.871) 3.705 5.358 ( -2.796 -5.247 3.737) 7.023 5.378 ( -1.831 0.998 2.201) 3.032 5.444 ( 1.223 8.499 -1.278) 8.681 5.589 ( -1.349 -2.532 -2.363) 3.717 5.667 ( 0.006 -4.396 -2.428) 5.022 5.698 ( -1.689 -7.807 -0.176) 7.989 5.844 ( -1.038 4.400 -4.254) 6.207 5.918 ( 0.035 -1.426 4.152) 4.390 6.006 ( -0.640 7.629 -1.029) 7.725 6.117 ( 3.757 -3.715 0.607) 5.318 6.126 ( -2.598 2.621 -3.653) 5.193 6.231 ( 3.521 1.725 -1.456) 4.183 6.267 ( 2.803 -11.604 -3.235) 12.368 6.383 ( 1.167 -9.011 -0.698) 9.113 6.523 ( 3.234 3.719 1.320) 5.103 6.561 ( 2.160 0.086 -5.443) 5.857 6.748 ( 0.727 8.462 1.173) 8.573 6.811 ( 0.817 4.711 1.839) 5.122 6.893 ( -2.618 -3.403 -2.121) 4.788 6.925 ( 0.169 -5.369 3.834) 6.600 6.982 ( 3.146 -4.896 2.671) 6.403 7.018 ( 0.564 -4.568 -1.157) 4.746 7.111 ( 7.915 4.764 3.913) 10.033 7.197 ( 8.341 -2.852 -3.584) 9.516 7.391 ( 3.060 -1.052 0.726) 3.316 7.421 ( 6.289 -1.984 -0.324) 6.602 7.590 ( 2.948 7.840 -5.166) 9.841 7.614 ( 0.454 2.254 1.425) 2.705 7.656 ( -0.069 -2.973 0.015) 2.973 7.745 ( 5.008 -4.626 -7.195) 9.912 7.919 ( 5.678 0.318 4.490) 7.246 7.967 ( 8.908 -3.880 3.724) 10.406 8.111 ( 4.057 0.388 -0.661) 4.129 8.175 ( -1.325 -4.489 -3.653) 5.938 8.294 ( 1.576 4.174 0.768) 4.527 8.359 ( 0.995 -0.392 0.167) 1.083 8.448 ( 5.273 -0.823 1.166) 5.463 8.466 ( 4.433 -1.077 -0.943) 4.658 8.622 ( 0.043 3.216 -1.742) 3.658 8.693 ( -0.522 -2.821 -4.302) 5.171 8.829 ( -5.628 1.821 -0.056) 5.916 8.856 ( -3.245 -0.817 2.846) 4.393 9.051 ( -4.555 1.478 -2.715) 5.505 9.121 ( -3.499 -5.025 0.666) 6.160 9.151 ( -0.381 3.055 2.699) 4.094 9.213 ( 2.677 -3.424 3.938) 5.865 9.379 ( 5.662 0.780 -5.512) 7.940 9.400 ( 6.725 -1.040 -5.035) 8.465 9.721 ( -1.968 4.928 3.161) 6.177 9.818 ( 1.447 -4.137 3.878) 5.852 10.013 ( 2.500 4.442 3.413) 6.134 10.081 ( 3.439 -1.892 3.047) 4.969 10.113 ( -1.804 3.351 0.254) 3.814 10.179 ( -3.256 -3.122 -0.668) 4.560 10.358 ( 1.038 6.454 2.837) 7.126 10.405 ( -1.240 5.755 2.452) 6.377 10.462 ( -3.106 -1.931 2.355) 4.349 10.539 ( -2.799 -1.013 1.220) 3.217 10.586 ( -1.765 1.316 0.366) 2.232 10.688 ( -1.149 -5.625 2.498) 6.261 10.852 ( 7.358 5.002 -7.556) 11.673 10.924 ( 10.551 -2.587 -8.825) 13.996 11.090 ( -1.216 4.981 -1.619) 5.377 11.167 ( -5.389 -0.907 0.269) 5.471 11.307 ( 4.625 -1.582 2.267) 5.389 11.333 ( 7.508 -4.276 3.816) 9.445 11.591 ( -0.708 1.767 2.622) 3.240 11.635 ( 0.537 -3.441 -1.323) 3.725 11.731 ( 1.793 -1.774 0.213) 2.531 11.763 ( -0.763 -3.760 1.163) 4.009 12.064 ( 3.766 2.260 -2.317) 4.966 12.145 ( 2.927 -4.936 -2.095) 6.109 12.577 ( -2.333 1.594 -8.386) 8.849 12.588 ( -1.646 1.448 -7.142) 7.471 12.796 ( 14.242 4.487 6.291) 16.203 12.868 ( 12.945 -1.739 4.916) 13.956 13.131 ( 0.722 0.753 2.687) 2.882 13.146 ( -2.688 -0.416 -2.772) 3.883 13.275 ( -3.379 2.132 -2.455) 4.689 13.332 ( -0.270 -3.069 -0.156) 3.085 13.706 ( -9.598 1.675 2.240) 9.997 13.763 ( -8.615 -3.202 4.023) 10.033 14.078 ( -1.544 0.726 0.430) 1.759 14.125 ( -1.574 -3.453 -1.271) 4.002 14.400 ( -11.059 0.952 0.086) 11.100 14.457 ( -9.011 -4.639 0.011) 10.135 14.685 ( -7.442 5.720 -0.950) 9.434 14.773 ( -6.629 -2.699 1.398) 7.293 14.833 ( -5.352 4.521 0.776) 7.048 14.959 ( -5.819 -6.244 1.887) 8.741 15.089 ( -2.672 3.930 -1.980) 5.148 15.160 ( -3.288 -3.458 -0.979) 4.871 15.395 ( -13.321 4.107 0.458) 13.947 15.435 ( -8.894 1.701 4.709) 10.206 15.689 ( 0.608 1.209 3.591) 3.837 15.751 ( -0.521 -1.178 -0.854) 1.546 16.001 ( 0.344 -1.581 -0.453) 1.680 16.040 ( 4.708 -2.611 -2.770) 6.054 16.394 ( 0.314 3.870 -0.715) 3.948 16.456 ( 0.652 -3.400 -0.648) 3.522 16.673 ( -8.590 4.716 0.234) 9.802 16.789 ( -7.522 -5.089 1.334) 9.180 17.137 ( -4.343 4.127 -3.846) 7.119 17.186 ( -3.895 -0.682 -2.674) 4.773 18.344 ( 5.814 2.258 -0.114) 6.238 18.389 ( 5.425 -1.906 1.406) 5.919 18.491 ( 4.386 2.921 0.677) 5.313 18.562 ( 5.872 -4.244 0.233) 7.249 19.106 ( 9.961 1.910 -0.089) 10.143 19.136 ( 10.082 -1.014 -1.543) 10.250 19.268 ( 4.462 -0.170 -0.769) 4.531 19.285 ( 5.643 -1.607 0.009) 5.867 25.250 ( -1.315 6.293 3.041) 7.112 25.304 ( -2.083 6.372 -3.528) 7.576 25.416 ( -4.197 -10.308 3.769) 11.751 25.473 ( -5.575 -10.560 -4.356) 12.711 26.996 ( -0.620 3.062 -0.877) 3.245 27.038 ( -0.536 -0.770 -2.044) 2.249 27.123 ( -0.069 2.742 0.648) 2.818 27.170 ( 0.164 -1.498 0.995) 1.805 28.246 ( -2.266 7.272 -0.069) 7.617 28.315 ( -2.198 3.145 1.706) 4.200 28.350 ( -3.670 3.354 -2.193) 5.434 28.414 ( -2.092 -0.060 2.782) 3.482 28.606 ( -3.256 1.794 6.721) 7.681 28.670 ( -2.111 -4.316 5.776) 7.514 28.884 ( -2.940 4.391 -4.369) 6.856 28.969 ( -4.586 -2.369 -0.893) 5.238 29.102 ( -10.966 0.962 -2.153) 11.217 29.137 ( -10.601 -1.647 0.394) 10.735 29.680 ( 14.276 0.893 0.772) 14.325 29.718 ( 13.430 -2.701 -2.339) 13.897 29.819 ( -0.701 0.987 -5.854) 5.978 29.843 ( -0.422 -1.187 -8.964) 9.052 30.325 ( 6.136 1.738 2.409) 6.817 30.372 ( 6.299 -2.809 3.267) 7.631 30.749 ( -3.268 4.290 0.577) 5.424 30.807 ( -6.210 2.148 -0.851) 6.626 30.945 ( 12.174 -3.814 4.759) 13.616 31.010 ( 9.323 -6.686 1.904) 11.630 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -11.035 6.070 13.877) 18.740 1.604 ( -5.144 -7.917 -2.492) 9.765 1.867 ( -9.832 14.821 10.384) 20.596 2.141 ( -7.519 -11.529 2.876) 14.062 2.587 ( -3.645 7.469 -7.366) 11.106 2.633 ( -7.499 3.569 -3.756) 9.115 2.723 ( 1.963 1.522 -0.330) 2.506 2.728 ( 3.793 2.885 -7.691) 9.048 2.840 ( -0.632 1.293 1.336) 1.963 2.944 ( 1.399 -3.810 2.356) 4.693 3.034 ( 1.627 7.398 0.081) 7.575 3.078 ( 7.185 2.854 7.533) 10.794 3.243 ( 0.133 8.422 1.888) 8.632 3.322 ( 1.076 -0.076 5.287) 5.396 3.459 ( 7.060 7.522 5.234) 11.568 3.564 ( 1.317 -3.662 -0.247) 3.899 3.705 ( 3.671 9.508 -8.525) 13.288 3.749 ( -2.787 1.365 -2.361) 3.899 3.783 ( -8.312 -1.442 6.970) 10.943 3.797 ( -0.388 2.029 -1.621) 2.625 3.873 ( -8.531 5.237 6.753) 12.075 3.895 ( -2.108 -0.383 -2.661) 3.417 4.022 ( -4.180 -6.792 -4.385) 9.101 4.077 ( -3.623 -11.854 3.290) 12.824 4.245 ( -1.557 2.683 0.190) 3.107 4.260 ( -2.332 1.616 -4.438) 5.267 4.339 ( 0.647 7.543 3.472) 8.329 4.408 ( 1.297 -0.530 0.423) 1.463 4.502 ( 1.152 1.226 -0.891) 1.904 4.507 ( -4.589 0.699 -0.949) 4.738 4.554 ( -8.965 -3.886 -2.027) 9.979 4.640 ( -2.829 -6.892 0.341) 7.457 4.794 ( -12.154 0.216 3.620) 12.683 4.823 ( -3.014 3.850 -1.187) 5.031 4.854 ( -10.336 -0.564 4.530) 11.299 4.914 ( -2.930 -1.941 0.230) 3.522 5.016 ( -4.092 3.143 -1.792) 5.462 5.075 ( -1.175 -0.601 -0.388) 1.375 5.121 ( 0.337 3.310 -2.410) 4.109 5.239 ( -10.047 -5.768 -1.781) 11.721 5.333 ( -0.703 4.551 4.290) 6.294 5.403 ( 0.584 -1.819 -3.337) 3.845 5.471 ( -0.557 2.670 -1.859) 3.301 5.518 ( -4.548 1.171 4.676) 6.627 5.673 ( 1.635 -1.176 -7.108) 7.388 5.724 ( 1.732 -1.630 -9.772) 10.058 5.850 ( -0.588 3.100 3.553) 4.751 5.921 ( 0.673 0.400 1.528) 1.717 6.018 ( 5.670 4.093 -2.382) 7.388 6.080 ( -0.599 -0.090 0.712) 0.935 6.239 ( 4.495 -1.779 1.650) 5.108 6.305 ( 4.360 -2.954 -2.292) 5.743 6.362 ( 6.390 -2.077 -5.671) 8.792 6.488 ( 9.170 -6.687 -0.362) 11.355 6.551 ( -0.926 5.726 2.214) 6.209 6.622 ( 2.743 -0.887 2.315) 3.697 6.812 ( 1.002 3.911 -4.518) 6.059 6.876 ( 7.363 4.561 7.944) 11.753 6.909 ( -0.920 -6.510 -2.059) 6.890 6.963 ( 8.190 -0.546 -0.229) 8.212 7.026 ( 1.872 -6.075 5.226) 8.230 7.074 ( 4.941 -7.257 2.776) 9.208 7.198 ( 1.701 3.575 6.652) 7.741 7.256 ( -0.176 -2.180 2.368) 3.223 7.429 ( -2.297 2.313 -6.624) 7.382 7.505 ( -1.606 -2.401 -9.350) 9.786 7.619 ( 2.017 1.521 0.746) 2.634 7.671 ( 5.605 -0.345 -0.911) 5.689 7.714 ( 5.231 1.597 -2.816) 6.152 7.826 ( 3.422 -5.492 -7.201) 9.681 7.918 ( -4.277 3.901 -0.134) 5.791 7.989 ( -8.290 -1.828 -1.618) 8.642 8.161 ( 2.987 -0.525 0.575) 3.087 8.178 ( 2.643 -1.711 2.060) 3.762 8.353 ( 2.512 0.946 5.118) 5.780 8.390 ( 1.137 -2.966 7.225) 7.893 8.539 ( 2.699 0.223 -3.037) 4.070 8.545 ( 3.461 -0.522 -3.041) 4.636 8.621 ( -3.764 0.559 -1.119) 3.967 8.648 ( 1.514 -1.770 -0.107) 2.331 8.778 ( -0.024 2.986 -0.290) 3.000 8.816 ( -1.202 -0.327 1.895) 2.268 8.988 ( -0.931 -0.358 -3.736) 3.867 9.044 ( -3.720 -5.441 0.532) 6.613 9.158 ( 1.110 5.326 4.998) 7.387 9.270 ( 2.671 -5.635 6.082) 8.711 9.430 ( -1.182 2.153 -7.200) 7.607 9.465 ( 0.175 -0.534 -4.808) 4.841 9.705 ( 0.434 3.864 -0.291) 3.899 9.781 ( -5.470 -4.150 1.628) 7.057 10.025 ( 1.913 3.774 2.599) 4.966 10.094 ( 3.181 -2.829 2.704) 5.043 10.205 ( 1.653 3.555 0.207) 3.927 10.248 ( 7.940 4.116 3.847) 9.736 10.297 ( -3.556 1.530 0.362) 3.888 10.369 ( -2.948 -1.620 2.098) 3.964 10.452 ( 3.513 3.270 1.340) 4.983 10.519 ( -0.015 1.250 1.553) 1.994 10.537 ( -3.072 0.982 0.469) 3.259 10.643 ( -4.125 -4.958 2.562) 6.940 10.960 ( 3.073 6.161 -2.064) 7.188 11.042 ( -2.900 -1.401 -0.174) 3.225 11.162 ( 9.972 1.263 -3.879) 10.774 11.187 ( 8.813 -0.558 -6.073) 10.717 11.432 ( 7.152 1.805 2.218) 7.703 11.529 ( 11.114 -5.051 2.811) 12.527 11.632 ( -0.354 -2.850 1.162) 3.097 11.648 ( 5.380 -2.493 1.420) 6.097 11.746 ( 0.154 -1.782 0.768) 1.947 11.760 ( 0.119 -3.729 -2.640) 4.570 12.144 ( 4.219 0.898 -0.712) 4.372 12.208 ( 3.676 -4.840 -2.219) 6.470 12.522 ( -3.012 1.649 -6.572) 7.415 12.548 ( -2.303 -0.474 -7.142) 7.519 12.970 ( 0.321 4.015 2.835) 4.925 13.037 ( 1.871 -1.510 4.453) 5.060 13.068 ( -3.543 2.303 -2.938) 5.147 13.112 ( -4.905 -2.985 -2.984) 6.471 13.210 ( -1.917 3.880 2.087) 4.804 13.294 ( -2.760 -4.098 1.747) 5.240 13.575 ( -1.022 5.215 5.615) 7.731 13.656 ( -1.956 -1.634 3.883) 4.645 13.992 ( -7.146 -2.242 0.466) 7.504 14.025 ( -3.806 -4.491 -0.773) 5.937 14.230 ( -5.293 3.111 1.154) 6.248 14.308 ( -5.479 -4.478 0.949) 7.140 14.531 ( -10.403 9.557 0.924) 14.157 14.641 ( -3.892 0.280 3.164) 5.024 14.802 ( 1.406 -0.948 -1.729) 2.422 14.839 ( -5.693 -5.017 -4.348) 8.745 15.009 ( -5.811 2.897 -0.619) 6.522 15.066 ( -6.650 -2.748 0.495) 7.212 15.152 ( -6.310 6.574 -1.810) 9.290 15.270 ( -7.885 -3.980 0.332) 8.838 15.706 ( 1.038 1.577 4.147) 4.556 15.753 ( 0.384 -1.259 0.234) 1.337 16.036 ( 3.444 3.174 -0.796) 4.751 16.141 ( 4.333 -4.103 0.245) 5.972 16.357 ( -4.175 8.416 -0.932) 9.441 16.477 ( 1.589 -2.294 -0.465) 2.828 16.538 ( -3.916 -0.710 0.283) 3.990 16.601 ( -10.968 -6.673 -0.981) 12.876 17.056 ( -3.276 3.766 -1.521) 5.218 17.095 ( -4.879 -0.074 -0.899) 4.961 18.456 ( 4.318 1.211 0.191) 4.488 18.474 ( 2.779 -0.386 1.226) 3.062 18.581 ( 4.856 2.243 0.434) 5.367 18.660 ( 3.403 -6.017 -0.336) 6.921 19.292 ( 7.684 1.960 1.608) 8.091 19.326 ( 8.221 -1.337 0.662) 8.355 19.368 ( 5.180 1.201 -1.700) 5.582 19.402 ( 5.568 -1.953 -1.479) 6.083 25.229 ( -0.661 4.031 1.955) 4.529 25.270 ( -0.799 3.772 -2.108) 4.395 25.327 ( -4.651 -5.608 2.425) 7.678 25.358 ( -5.380 -4.925 -2.567) 7.733 26.987 ( -0.158 1.591 -0.816) 1.795 27.015 ( -1.460 -0.902 -0.930) 1.951 27.139 ( 1.493 1.364 -0.810) 2.179 27.168 ( -0.441 -1.265 0.759) 1.540 28.214 ( -1.057 6.129 0.386) 6.232 28.260 ( -2.723 5.618 -0.025) 6.244 28.288 ( -2.529 -0.445 0.145) 2.572 28.341 ( -4.187 -1.269 -0.832) 4.453 28.581 ( 0.090 2.415 9.151) 9.465 28.639 ( -1.058 -2.963 5.901) 6.688 28.806 ( -4.996 2.991 -2.484) 6.330 28.873 ( -8.550 -2.951 -2.023) 9.269 28.933 ( -1.674 2.680 -1.998) 3.738 28.971 ( -5.327 -0.766 -0.226) 5.386 29.829 ( 0.982 1.898 -5.356) 5.766 29.863 ( 2.254 -1.490 -9.798) 10.164 29.970 ( 14.158 -0.034 0.597) 14.171 29.987 ( 13.335 -1.669 -2.541) 13.677 30.390 ( 1.866 1.631 1.363) 2.828 30.423 ( 0.390 -1.676 0.653) 1.841 30.606 ( -9.876 2.011 -0.877) 10.117 30.639 ( -10.284 -0.701 -0.407) 10.316 31.214 ( 11.606 -1.924 8.035) 14.247 31.256 ( 12.798 -5.856 2.596) 14.312 =================== 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 3/31500 10.0 1247.898 1215.235 1130.684 0.000 38.562 0.000 3/31500 20.0 139.098 145.916 130.561 0.000 10.181 0.000 3/31500 30.0 44.106 43.639 37.670 0.000 3.265 0.000 3/31500 40.0 21.469 20.506 17.539 0.000 1.511 0.000 3/31500 50.0 13.156 12.230 10.479 0.000 0.878 0.000 3/31500 60.0 9.215 8.379 7.220 0.000 0.589 0.000 3/31500 70.0 7.017 6.266 5.435 0.000 0.433 0.000 3/31500 80.0 5.648 4.968 4.337 0.000 0.340 0.000 3/31500 90.0 4.725 4.105 3.604 0.000 0.278 0.000 3/31500 100.0 4.066 3.495 3.085 0.000 0.236 0.000 3/31500 110.0 3.575 3.044 2.699 0.000 0.205 0.000 3/31500 120.0 3.195 2.698 2.402 0.000 0.181 0.000 3/31500 130.0 2.894 2.425 2.166 0.000 0.162 0.000 3/31500 140.0 2.648 2.204 1.975 0.000 0.147 0.000 3/31500 150.0 2.445 2.022 1.817 0.000 0.135 0.000 3/31500 160.0 2.274 1.870 1.683 0.000 0.125 0.000 3/31500 170.0 2.127 1.740 1.570 0.000 0.116 0.000 3/31500 180.0 2.001 1.628 1.471 0.000 0.108 0.000 3/31500 190.0 1.890 1.530 1.386 0.000 0.102 0.000 3/31500 200.0 1.793 1.445 1.310 0.000 0.096 0.000 3/31500 210.0 1.706 1.369 1.243 0.000 0.091 0.000 3/31500 220.0 1.628 1.302 1.183 0.000 0.086 0.000 3/31500 230.0 1.559 1.241 1.130 0.000 0.082 0.000 3/31500 240.0 1.495 1.187 1.081 0.000 0.079 0.000 3/31500 250.0 1.438 1.137 1.037 0.000 0.076 0.000 3/31500 260.0 1.385 1.092 0.997 0.000 0.073 0.000 3/31500 270.0 1.337 1.050 0.960 0.000 0.070 0.000 3/31500 280.0 1.292 1.012 0.926 0.000 0.067 0.000 3/31500 290.0 1.251 0.977 0.895 0.000 0.065 0.000 3/31500 300.0 1.212 0.944 0.866 0.000 0.063 0.000 3/31500 310.0 1.177 0.914 0.839 0.000 0.061 0.000 3/31500 320.0 1.143 0.886 0.813 0.000 0.059 0.000 3/31500 330.0 1.112 0.859 0.790 0.000 0.057 0.000 3/31500 340.0 1.082 0.835 0.768 0.000 0.056 0.000 3/31500 350.0 1.054 0.811 0.747 0.000 0.054 0.000 3/31500 360.0 1.028 0.789 0.727 0.000 0.053 0.000 3/31500 370.0 1.003 0.769 0.709 0.000 0.052 0.000 3/31500 380.0 0.980 0.749 0.691 0.000 0.050 0.000 3/31500 390.0 0.957 0.731 0.675 0.000 0.049 0.000 3/31500 400.0 0.936 0.713 0.659 0.000 0.048 0.000 3/31500 410.0 0.916 0.696 0.644 0.000 0.047 0.000 3/31500 420.0 0.896 0.680 0.630 0.000 0.046 0.000 3/31500 430.0 0.878 0.665 0.616 0.000 0.045 0.000 3/31500 440.0 0.860 0.651 0.603 0.000 0.044 0.000 3/31500 450.0 0.843 0.637 0.591 0.000 0.043 0.000 3/31500 460.0 0.827 0.624 0.579 0.000 0.043 0.000 3/31500 470.0 0.811 0.611 0.568 0.000 0.042 0.000 3/31500 480.0 0.796 0.599 0.557 0.000 0.041 0.000 3/31500 490.0 0.782 0.587 0.546 0.000 0.040 0.000 3/31500 500.0 0.768 0.576 0.536 0.000 0.040 0.000 3/31500 510.0 0.754 0.565 0.526 0.000 0.039 0.000 3/31500 520.0 0.741 0.555 0.517 0.000 0.038 0.000 3/31500 530.0 0.729 0.545 0.508 0.000 0.038 0.000 3/31500 540.0 0.717 0.535 0.499 0.000 0.037 0.000 3/31500 550.0 0.705 0.526 0.491 0.000 0.036 0.000 3/31500 560.0 0.694 0.517 0.483 0.000 0.036 0.000 3/31500 570.0 0.683 0.508 0.475 0.000 0.035 0.000 3/31500 580.0 0.672 0.500 0.467 0.000 0.035 0.000 3/31500 590.0 0.662 0.492 0.460 0.000 0.034 0.000 3/31500 600.0 0.652 0.484 0.453 0.000 0.034 0.000 3/31500 610.0 0.642 0.476 0.446 0.000 0.033 0.000 3/31500 620.0 0.633 0.469 0.439 0.000 0.033 0.000 3/31500 630.0 0.624 0.462 0.433 0.000 0.032 0.000 3/31500 640.0 0.615 0.455 0.426 0.000 0.032 0.000 3/31500 650.0 0.606 0.448 0.420 0.000 0.031 0.000 3/31500 660.0 0.598 0.442 0.414 0.000 0.031 0.000 3/31500 670.0 0.590 0.435 0.408 0.000 0.030 0.000 3/31500 680.0 0.582 0.429 0.403 0.000 0.030 0.000 3/31500 690.0 0.574 0.423 0.397 0.000 0.030 0.000 3/31500 700.0 0.566 0.417 0.392 0.000 0.029 0.000 3/31500 710.0 0.559 0.412 0.387 0.000 0.029 0.000 3/31500 720.0 0.552 0.406 0.382 0.000 0.029 0.000 3/31500 730.0 0.545 0.401 0.377 0.000 0.028 0.000 3/31500 740.0 0.538 0.396 0.372 0.000 0.028 0.000 3/31500 750.0 0.532 0.390 0.367 0.000 0.028 0.000 3/31500 760.0 0.525 0.386 0.363 0.000 0.027 0.000 3/31500 770.0 0.519 0.381 0.358 0.000 0.027 0.000 3/31500 780.0 0.513 0.376 0.354 0.000 0.027 0.000 3/31500 790.0 0.507 0.371 0.350 0.000 0.026 0.000 3/31500 800.0 0.501 0.367 0.346 0.000 0.026 0.000 3/31500 810.0 0.495 0.363 0.342 0.000 0.026 0.000 3/31500 820.0 0.489 0.358 0.338 0.000 0.025 0.000 3/31500 830.0 0.484 0.354 0.334 0.000 0.025 0.000 3/31500 840.0 0.478 0.350 0.330 0.000 0.025 0.000 3/31500 850.0 0.473 0.346 0.326 0.000 0.025 0.000 3/31500 860.0 0.468 0.342 0.323 0.000 0.024 0.000 3/31500 870.0 0.463 0.338 0.319 0.000 0.024 0.000 3/31500 880.0 0.458 0.335 0.316 0.000 0.024 0.000 3/31500 890.0 0.453 0.331 0.312 0.000 0.024 0.000 3/31500 900.0 0.448 0.327 0.309 0.000 0.023 0.000 3/31500 910.0 0.444 0.324 0.306 0.000 0.023 0.000 3/31500 920.0 0.439 0.320 0.303 0.000 0.023 0.000 3/31500 930.0 0.435 0.317 0.300 0.000 0.023 0.000 3/31500 940.0 0.430 0.314 0.296 0.000 0.022 0.000 3/31500 950.0 0.426 0.311 0.293 0.000 0.022 0.000 3/31500 960.0 0.422 0.307 0.291 0.000 0.022 0.000 3/31500 970.0 0.418 0.304 0.288 0.000 0.022 0.000 3/31500 980.0 0.414 0.301 0.285 0.000 0.022 0.000 3/31500 990.0 0.410 0.298 0.282 0.000 0.021 0.000 3/31500 1000.0 0.406 0.295 0.279 0.000 0.021 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:39:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|