----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:21:34]------------------------- 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 7.779787510039686 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): *1 O 0.13129272787423 0.09288228212913 0.90585697143294 15.999 2 O 0.86870727212577 0.59288228212913 0.59414302856706 15.999 3 O 0.86870727212577 0.90711771787087 0.09414302856706 15.999 4 O 0.13129272787423 0.40711771787087 0.40585697143294 15.999 *5 O 0.19678261522895 0.29390140553063 0.12628809258047 15.999 6 O 0.80321738477105 0.79390140553063 0.37371190741953 15.999 7 O 0.80321738477105 0.70609859446937 0.87371190741953 15.999 8 O 0.19678261522895 0.20609859446937 0.62628809258047 15.999 *9 O 0.02459836607074 0.40947832177892 0.84890062300354 15.999 10 O 0.97540163392926 0.90947832177892 0.65109937699646 15.999 11 O 0.97540163392926 0.59052167822108 0.15109937699646 15.999 12 O 0.02459836607074 0.09052167822108 0.34890062300354 15.999 *13 O 0.67527722775283 0.36563612268106 0.88327181460978 15.999 14 O 0.32472277224717 0.86563612268106 0.61672818539022 15.999 15 O 0.32472277224717 0.63436387731894 0.11672818539022 15.999 16 O 0.67527722775283 0.13436387731894 0.38327181460978 15.999 *17 O 0.36795286070878 0.15302249751845 0.43718617882640 15.999 18 O 0.63204713929122 0.65302249751845 0.06281382117360 15.999 19 O 0.63204713929122 0.84697750248155 0.56281382117360 15.999 20 O 0.36795286070878 0.34697750248155 0.93718617882640 15.999 *21 O 0.69000845077107 0.26902929729114 0.62648158872547 15.999 22 O 0.30999154922893 0.76902929729114 0.87351841127453 15.999 23 O 0.30999154922893 0.73097070270886 0.37351841127453 15.999 24 O 0.69000845077107 0.23097070270886 0.12648158872547 15.999 *25 O 0.51225196510495 0.42270102119049 0.37006463451470 15.999 26 O 0.48774803489505 0.92270102119049 0.12993536548530 15.999 27 O 0.48774803489505 0.57729897880951 0.62993536548530 15.999 28 O 0.51225196510495 0.07729897880951 0.87006463451470 15.999 *29 Si 0.17551510225746 0.28667203184888 0.96004495982711 28.085 30 Si 0.82448489774254 0.78667203184888 0.53995504017289 28.085 31 Si 0.82448489774254 0.71332796815112 0.03995504017289 28.085 32 Si 0.17551510225746 0.21332796815112 0.46004495982711 28.085 *33 Si 0.56587676831309 0.25222629071136 0.95834099849425 28.085 34 Si 0.43412323168691 0.75222629071136 0.54165900150575 28.085 35 Si 0.43412323168691 0.74777370928864 0.04165900150575 28.085 36 Si 0.56587676831309 0.24777370928864 0.45834099849425 28.085 *37 Sr 0.78458278414282 0.48178256613134 0.29519736635754 87.620 38 Sr 0.21541721585719 0.98178256613134 0.20480263364247 87.620 39 Sr 0.21541721585719 0.51821743386866 0.70480263364246 87.620 40 Sr 0.78458278414282 0.01821743386866 0.79519736635754 87.620 *41 Zr 0.75627796735630 0.01066897274986 0.24526652098523 91.224 42 Zr 0.24372203264370 0.51066897274986 0.25473347901477 91.224 43 Zr 0.24372203264370 0.98933102725014 0.75473347901477 91.224 44 Zr 0.75627796735630 0.48933102725014 0.74526652098523 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.779787510039686 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): *1 O 0.13129272787423 0.09288228212913 0.90585697143294 15.999 > 1 2 O 0.86870727212577 0.59288228212913 0.59414302856706 15.999 > 2 3 O 0.86870727212577 0.90711771787087 0.09414302856706 15.999 > 3 4 O 0.13129272787423 0.40711771787087 0.40585697143294 15.999 > 4 *5 O 0.19678261522895 0.29390140553063 0.12628809258047 15.999 > 5 6 O 0.80321738477105 0.79390140553063 0.37371190741953 15.999 > 6 7 O 0.80321738477105 0.70609859446937 0.87371190741953 15.999 > 7 8 O 0.19678261522895 0.20609859446937 0.62628809258047 15.999 > 8 *9 O 0.02459836607074 0.40947832177892 0.84890062300354 15.999 > 9 10 O 0.97540163392926 0.90947832177892 0.65109937699646 15.999 > 10 11 O 0.97540163392926 0.59052167822108 0.15109937699646 15.999 > 11 12 O 0.02459836607074 0.09052167822108 0.34890062300354 15.999 > 12 *13 O 0.67527722775283 0.36563612268106 0.88327181460978 15.999 > 13 14 O 0.32472277224717 0.86563612268106 0.61672818539022 15.999 > 14 15 O 0.32472277224717 0.63436387731894 0.11672818539022 15.999 > 15 16 O 0.67527722775283 0.13436387731894 0.38327181460978 15.999 > 16 *17 O 0.36795286070878 0.15302249751845 0.43718617882640 15.999 > 17 18 O 0.63204713929122 0.65302249751845 0.06281382117360 15.999 > 18 19 O 0.63204713929122 0.84697750248155 0.56281382117360 15.999 > 19 20 O 0.36795286070878 0.34697750248155 0.93718617882640 15.999 > 20 *21 O 0.69000845077107 0.26902929729114 0.62648158872547 15.999 > 21 22 O 0.30999154922893 0.76902929729114 0.87351841127453 15.999 > 22 23 O 0.30999154922893 0.73097070270886 0.37351841127453 15.999 > 23 24 O 0.69000845077107 0.23097070270886 0.12648158872547 15.999 > 24 *25 O 0.51225196510495 0.42270102119049 0.37006463451470 15.999 > 25 26 O 0.48774803489505 0.92270102119049 0.12993536548530 15.999 > 26 27 O 0.48774803489505 0.57729897880951 0.62993536548530 15.999 > 27 28 O 0.51225196510495 0.07729897880951 0.87006463451470 15.999 > 28 *29 Si 0.17551510225746 0.28667203184888 0.96004495982711 28.085 > 29 30 Si 0.82448489774254 0.78667203184888 0.53995504017289 28.085 > 30 31 Si 0.82448489774254 0.71332796815112 0.03995504017289 28.085 > 31 32 Si 0.17551510225746 0.21332796815112 0.46004495982711 28.085 > 32 *33 Si 0.56587676831309 0.25222629071136 0.95834099849425 28.085 > 33 34 Si 0.43412323168691 0.75222629071136 0.54165900150575 28.085 > 34 35 Si 0.43412323168691 0.74777370928864 0.04165900150575 28.085 > 35 36 Si 0.56587676831309 0.24777370928864 0.45834099849425 28.085 > 36 *37 Sr 0.78458278414282 0.48178256613134 0.29519736635754 87.620 > 37 38 Sr 0.21541721585719 0.98178256613134 0.20480263364247 87.620 > 38 39 Sr 0.21541721585719 0.51821743386866 0.70480263364246 87.620 > 39 40 Sr 0.78458278414282 0.01821743386866 0.79519736635754 87.620 > 40 *41 Zr 0.75627796735630 0.01066897274986 0.24526652098523 91.224 > 41 42 Zr 0.24372203264370 0.51066897274986 0.25473347901477 91.224 > 42 43 Zr 0.24372203264370 0.98933102725014 0.75473347901477 91.224 > 43 44 Zr 0.75627796735630 0.48933102725014 0.74526652098523 91.224 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.559575020079372 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): *1 O 0.06564636393711 0.09288228212913 0.90585697143294 15.999 > 1 2 O 0.56564636393711 0.09288228212913 0.90585697143294 15.999 > 1 3 O 0.43435363606289 0.59288228212913 0.59414302856706 15.999 > 2 4 O 0.93435363606289 0.59288228212913 0.59414302856706 15.999 > 2 5 O 0.43435363606289 0.90711771787087 0.09414302856706 15.999 > 3 6 O 0.93435363606289 0.90711771787087 0.09414302856706 15.999 > 3 7 O 0.06564636393711 0.40711771787087 0.40585697143294 15.999 > 4 8 O 0.56564636393711 0.40711771787087 0.40585697143294 15.999 > 4 *9 O 0.09839130761448 0.29390140553063 0.12628809258047 15.999 > 5 10 O 0.59839130761448 0.29390140553063 0.12628809258047 15.999 > 5 11 O 0.40160869238552 0.79390140553063 0.37371190741953 15.999 > 6 12 O 0.90160869238552 0.79390140553063 0.37371190741953 15.999 > 6 13 O 0.40160869238552 0.70609859446937 0.87371190741953 15.999 > 7 14 O 0.90160869238552 0.70609859446937 0.87371190741953 15.999 > 7 15 O 0.09839130761448 0.20609859446937 0.62628809258047 15.999 > 8 16 O 0.59839130761448 0.20609859446937 0.62628809258047 15.999 > 8 *17 O 0.01229918303537 0.40947832177892 0.84890062300354 15.999 > 9 18 O 0.51229918303537 0.40947832177892 0.84890062300354 15.999 > 9 19 O 0.48770081696463 0.90947832177892 0.65109937699646 15.999 > 10 20 O 0.98770081696463 0.90947832177892 0.65109937699646 15.999 > 10 21 O 0.48770081696463 0.59052167822108 0.15109937699646 15.999 > 11 22 O 0.98770081696463 0.59052167822108 0.15109937699646 15.999 > 11 23 O 0.01229918303537 0.09052167822108 0.34890062300354 15.999 > 12 24 O 0.51229918303537 0.09052167822108 0.34890062300354 15.999 > 12 *25 O 0.33763861387641 0.36563612268106 0.88327181460978 15.999 > 13 26 O 0.83763861387641 0.36563612268106 0.88327181460978 15.999 > 13 27 O 0.16236138612359 0.86563612268106 0.61672818539022 15.999 > 14 28 O 0.66236138612359 0.86563612268106 0.61672818539022 15.999 > 14 29 O 0.16236138612359 0.63436387731894 0.11672818539022 15.999 > 15 30 O 0.66236138612359 0.63436387731894 0.11672818539022 15.999 > 15 31 O 0.33763861387641 0.13436387731894 0.38327181460978 15.999 > 16 32 O 0.83763861387641 0.13436387731894 0.38327181460978 15.999 > 16 *33 O 0.18397643035439 0.15302249751845 0.43718617882640 15.999 > 17 34 O 0.68397643035439 0.15302249751845 0.43718617882640 15.999 > 17 35 O 0.31602356964561 0.65302249751845 0.06281382117360 15.999 > 18 36 O 0.81602356964561 0.65302249751845 0.06281382117360 15.999 > 18 37 O 0.31602356964561 0.84697750248155 0.56281382117360 15.999 > 19 38 O 0.81602356964561 0.84697750248155 0.56281382117360 15.999 > 19 39 O 0.18397643035439 0.34697750248155 0.93718617882640 15.999 > 20 40 O 0.68397643035439 0.34697750248155 0.93718617882640 15.999 > 20 *41 O 0.34500422538553 0.26902929729114 0.62648158872547 15.999 > 21 42 O 0.84500422538553 0.26902929729114 0.62648158872547 15.999 > 21 43 O 0.15499577461447 0.76902929729114 0.87351841127453 15.999 > 22 44 O 0.65499577461447 0.76902929729114 0.87351841127453 15.999 > 22 45 O 0.15499577461447 0.73097070270886 0.37351841127453 15.999 > 23 46 O 0.65499577461447 0.73097070270886 0.37351841127453 15.999 > 23 47 O 0.34500422538553 0.23097070270886 0.12648158872547 15.999 > 24 48 O 0.84500422538553 0.23097070270886 0.12648158872547 15.999 > 24 *49 O 0.25612598255247 0.42270102119049 0.37006463451470 15.999 > 25 50 O 0.75612598255247 0.42270102119049 0.37006463451470 15.999 > 25 51 O 0.24387401744753 0.92270102119049 0.12993536548530 15.999 > 26 52 O 0.74387401744753 0.92270102119049 0.12993536548530 15.999 > 26 53 O 0.24387401744753 0.57729897880951 0.62993536548530 15.999 > 27 54 O 0.74387401744753 0.57729897880951 0.62993536548530 15.999 > 27 55 O 0.25612598255247 0.07729897880951 0.87006463451470 15.999 > 28 56 O 0.75612598255247 0.07729897880951 0.87006463451470 15.999 > 28 *57 Si 0.08775755112873 0.28667203184888 0.96004495982711 28.085 > 29 58 Si 0.58775755112873 0.28667203184888 0.96004495982711 28.085 > 29 59 Si 0.41224244887127 0.78667203184888 0.53995504017289 28.085 > 30 60 Si 0.91224244887127 0.78667203184888 0.53995504017289 28.085 > 30 61 Si 0.41224244887127 0.71332796815112 0.03995504017289 28.085 > 31 62 Si 0.91224244887127 0.71332796815112 0.03995504017289 28.085 > 31 63 Si 0.08775755112873 0.21332796815112 0.46004495982711 28.085 > 32 64 Si 0.58775755112873 0.21332796815112 0.46004495982711 28.085 > 32 *65 Si 0.28293838415654 0.25222629071136 0.95834099849425 28.085 > 33 66 Si 0.78293838415654 0.25222629071136 0.95834099849425 28.085 > 33 67 Si 0.21706161584346 0.75222629071136 0.54165900150575 28.085 > 34 68 Si 0.71706161584346 0.75222629071136 0.54165900150575 28.085 > 34 69 Si 0.21706161584346 0.74777370928864 0.04165900150575 28.085 > 35 70 Si 0.71706161584346 0.74777370928864 0.04165900150575 28.085 > 35 71 Si 0.28293838415654 0.24777370928864 0.45834099849425 28.085 > 36 72 Si 0.78293838415654 0.24777370928864 0.45834099849425 28.085 > 36 *73 Sr 0.39229139207141 0.48178256613134 0.29519736635754 87.620 > 37 74 Sr 0.89229139207141 0.48178256613134 0.29519736635754 87.620 > 37 75 Sr 0.10770860792859 0.98178256613134 0.20480263364247 87.620 > 38 76 Sr 0.60770860792859 0.98178256613134 0.20480263364247 87.620 > 38 77 Sr 0.10770860792859 0.51821743386866 0.70480263364246 87.620 > 39 78 Sr 0.60770860792859 0.51821743386866 0.70480263364246 87.620 > 39 79 Sr 0.39229139207141 0.01821743386866 0.79519736635754 87.620 > 40 80 Sr 0.89229139207141 0.01821743386866 0.79519736635754 87.620 > 40 *81 Zr 0.37813898367815 0.01066897274986 0.24526652098523 91.224 > 41 82 Zr 0.87813898367815 0.01066897274986 0.24526652098523 91.224 > 41 83 Zr 0.12186101632185 0.51066897274986 0.25473347901477 91.224 > 42 84 Zr 0.62186101632185 0.51066897274986 0.25473347901477 91.224 > 42 85 Zr 0.12186101632185 0.98933102725014 0.75473347901477 91.224 > 43 86 Zr 0.62186101632185 0.98933102725014 0.75473347901477 91.224 > 43 87 Zr 0.37813898367815 0.48933102725014 0.74526652098523 91.224 > 44 88 Zr 0.87813898367815 0.48933102725014 0.74526652098523 91.224 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2937186 0.0000000 -0.0142052 0.0000000 3.3107210 0.0000000 -0.0142039 0.0000000 3.3191578 -------------------------- Born effective charges -------------------------- 1 O -1.9587590 0.2900837 0.3471165 0.3047001 -2.2445524 -0.7629090 0.3725100 -0.5027539 -1.9978034 2 O -1.9587590 -0.2900837 0.3471165 -0.3047001 -2.2445524 0.7629090 0.3725100 0.5027539 -1.9978034 3 O -1.9587590 0.2900837 0.3471165 0.3047001 -2.2445524 -0.7629090 0.3725100 -0.5027539 -1.9978034 4 O -1.9587590 -0.2900837 0.3471165 -0.3047001 -2.2445524 0.7629090 0.3725100 0.5027539 -1.9978034 5 O -1.1454583 0.1030308 0.2648766 0.1399145 -2.4112250 -0.7177020 0.3062363 -0.7354797 -2.6769498 6 O -1.1454583 -0.1030308 0.2648766 -0.1399145 -2.4112250 0.7177020 0.3062363 0.7354797 -2.6769498 7 O -1.1454583 0.1030308 0.2648766 0.1399145 -2.4112250 -0.7177020 0.3062363 -0.7354797 -2.6769498 8 O -1.1454583 -0.1030308 0.2648766 -0.1399145 -2.4112250 0.7177020 0.3062363 0.7354797 -2.6769498 9 O -2.8031495 0.7544887 -0.9022142 0.6575225 -1.6810537 0.6446861 -0.7793995 0.5679191 -1.9452932 10 O -2.8031495 -0.7544887 -0.9022142 -0.6575225 -1.6810537 -0.6446861 -0.7793995 -0.5679191 -1.9452932 11 O -2.8031495 0.7544887 -0.9022142 0.6575225 -1.6810537 0.6446861 -0.7793995 0.5679191 -1.9452932 12 O -2.8031495 -0.7544887 -0.9022142 -0.6575225 -1.6810537 -0.6446861 -0.7793995 -0.5679191 -1.9452932 13 O -2.3130331 -1.0717654 1.0331658 -0.9777835 -2.1664049 0.8953189 0.9554014 0.7267394 -2.1261310 14 O -2.3130331 1.0717654 1.0331658 0.9777835 -2.1664049 -0.8953189 0.9554014 -0.7267394 -2.1261310 15 O -2.3130331 -1.0717654 1.0331658 -0.9777835 -2.1664049 0.8953189 0.9554014 0.7267394 -2.1261310 16 O -2.3130331 1.0717654 1.0331658 0.9777835 -2.1664049 -0.8953189 0.9554014 -0.7267394 -2.1261310 17 O -2.7832920 -0.1596012 -0.0437487 -0.2807087 -1.5084628 -0.1533023 0.0149880 -0.0829147 -1.4271878 18 O -2.7832920 0.1596012 -0.0437487 0.2807087 -1.5084628 0.1533023 0.0149880 0.0829147 -1.4271878 19 O -2.7832920 -0.1596012 -0.0437487 -0.2807087 -1.5084628 -0.1533023 0.0149880 -0.0829147 -1.4271878 20 O -2.7832920 0.1596012 -0.0437487 0.2807087 -1.5084628 0.1533023 0.0149880 0.0829147 -1.4271878 21 O -1.1835772 0.0668443 -0.1789366 -0.0398029 -2.3528472 -0.5858740 -0.2374979 -0.7756503 -2.8099671 22 O -1.1835772 -0.0668443 -0.1789366 0.0398029 -2.3528472 0.5858740 -0.2374979 0.7756503 -2.8099671 23 O -1.1835772 0.0668443 -0.1789366 -0.0398029 -2.3528472 -0.5858740 -0.2374979 -0.7756503 -2.8099671 24 O -1.1835772 -0.0668443 -0.1789366 0.0398029 -2.3528472 0.5858740 -0.2374979 0.7756503 -2.8099671 25 O -2.3145910 0.4424618 -0.4627237 0.5323030 -2.0469529 0.6478488 -0.5219500 0.5260583 -1.8990945 26 O -2.3145910 -0.4424618 -0.4627237 -0.5323030 -2.0469529 -0.6478488 -0.5219500 -0.5260583 -1.8990945 27 O -2.3145910 0.4424618 -0.4627237 0.5323030 -2.0469529 0.6478488 -0.5219500 0.5260583 -1.8990945 28 O -2.3145910 -0.4424618 -0.4627237 -0.5323030 -2.0469529 -0.6478488 -0.5219500 -0.5260583 -1.8990945 29 Si 3.1088395 -0.5238164 0.1956679 -0.3790542 3.2338218 0.3732464 -0.0147588 0.1093247 3.6049181 30 Si 3.1088395 0.5238164 0.1956679 0.3790542 3.2338218 -0.3732464 -0.0147588 -0.1093247 3.6049181 31 Si 3.1088395 -0.5238164 0.1956679 -0.3790542 3.2338218 0.3732464 -0.0147588 0.1093247 3.6049181 32 Si 3.1088395 0.5238164 0.1956679 0.3790542 3.2338218 -0.3732464 -0.0147588 -0.1093247 3.6049181 33 Si 3.4414584 0.4915486 -0.0054589 0.3219581 3.3477017 -0.3957363 -0.1982799 -0.0596529 3.7548164 34 Si 3.4414584 -0.4915486 -0.0054589 -0.3219581 3.3477017 0.3957363 -0.1982799 0.0596529 3.7548164 35 Si 3.4414584 0.4915486 -0.0054589 0.3219581 3.3477017 -0.3957363 -0.1982799 -0.0596529 3.7548164 36 Si 3.4414584 -0.4915486 -0.0054589 -0.3219581 3.3477017 0.3957363 -0.1982799 0.0596529 3.7548164 37 Sr 2.7038877 0.0709502 -0.1906336 0.0258726 2.6674279 0.0736243 -0.0887472 0.1746124 2.2907164 38 Sr 2.7038877 -0.0709502 -0.1906336 -0.0258726 2.6674279 -0.0736243 -0.0887472 -0.1746124 2.2907164 39 Sr 2.7038877 0.0709502 -0.1906336 0.0258726 2.6674279 0.0736243 -0.0887472 0.1746124 2.2907164 40 Sr 2.7038877 -0.0709502 -0.1906336 -0.0258726 2.6674279 -0.0736243 -0.0887472 -0.1746124 2.2907164 41 Zr 5.2476745 -0.1073010 -0.0571111 0.0250231 5.1625474 0.6204905 0.1914977 -0.4429055 5.2319758 42 Zr 5.2476745 0.1073010 -0.0571111 -0.0250231 5.1625474 -0.6204905 0.1914977 0.4429055 5.2319758 43 Zr 5.2476745 -0.1073010 -0.0571111 0.0250231 5.1625474 0.6204905 0.1914977 -0.4429055 5.2319758 44 Zr 5.2476745 0.1073010 -0.0571111 -0.0250231 5.1625474 -0.6204905 0.1914977 0.4429055 5.2319758 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.911 Solver_block: 200 / 1360 - Time: 0.793 Solver_block: 300 / 1360 - Time: 0.765 Solver_block: 400 / 1360 - Time: 0.792 Solver_block: 500 / 1360 - Time: 0.799 Solver_block: 600 / 1360 - Time: 0.802 Solver_block: 700 / 1360 - Time: 0.790 Solver_block: 800 / 1360 - Time: 0.788 Solver_block: 900 / 1360 - Time: 0.794 Solver_block: 1000 / 1360 - Time: 0.796 Solver_block: 1100 / 1360 - Time: 0.798 Solver_block: 1200 / 1360 - Time: 0.794 Solver_block: 1300 / 1360 - Time: 0.770 Solver_block: 1360 / 1360 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.192 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4488 Number of blocks in projector: 4488 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: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 968 / 968 (1) 446 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 968 / 968 (1) 453 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 239 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 517 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4488, 4390), data: False |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (528, 517), data: False |-- (528, 517), data: False |-- (528, 11), data: (528, 22) @ (22, 11) |-- (278, 267), data: True |-- (250, 239), data: True |-- (968, 947), data: False |-- (968, 15), data: (968, 36) @ (36, 15) |-- (468, 453), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (968, 946), data: False |-- (968, 22), data: (968, 44) @ (44, 22) |-- (468, 446), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 03:22:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:22:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.779787510039686 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): 1 O 0.13129272787423 0.09288228212913 0.90585697143294 15.999 2 O 0.86870727212577 0.59288228212913 0.59414302856706 15.999 3 O 0.86870727212577 0.90711771787087 0.09414302856706 15.999 4 O 0.13129272787423 0.40711771787087 0.40585697143294 15.999 5 O 0.19678261522895 0.29390140553063 0.12628809258047 15.999 6 O 0.80321738477105 0.79390140553063 0.37371190741953 15.999 7 O 0.80321738477105 0.70609859446937 0.87371190741953 15.999 8 O 0.19678261522895 0.20609859446937 0.62628809258047 15.999 9 O 0.02459836607074 0.40947832177892 0.84890062300354 15.999 10 O 0.97540163392926 0.90947832177892 0.65109937699646 15.999 11 O 0.97540163392926 0.59052167822108 0.15109937699646 15.999 12 O 0.02459836607074 0.09052167822108 0.34890062300354 15.999 13 O 0.67527722775283 0.36563612268106 0.88327181460978 15.999 14 O 0.32472277224717 0.86563612268106 0.61672818539022 15.999 15 O 0.32472277224717 0.63436387731894 0.11672818539022 15.999 16 O 0.67527722775283 0.13436387731894 0.38327181460978 15.999 17 O 0.36795286070878 0.15302249751845 0.43718617882640 15.999 18 O 0.63204713929122 0.65302249751845 0.06281382117360 15.999 19 O 0.63204713929122 0.84697750248155 0.56281382117360 15.999 20 O 0.36795286070878 0.34697750248155 0.93718617882640 15.999 21 O 0.69000845077107 0.26902929729114 0.62648158872547 15.999 22 O 0.30999154922893 0.76902929729114 0.87351841127453 15.999 23 O 0.30999154922893 0.73097070270886 0.37351841127453 15.999 24 O 0.69000845077107 0.23097070270886 0.12648158872547 15.999 25 O 0.51225196510495 0.42270102119049 0.37006463451470 15.999 26 O 0.48774803489505 0.92270102119049 0.12993536548530 15.999 27 O 0.48774803489505 0.57729897880951 0.62993536548530 15.999 28 O 0.51225196510495 0.07729897880951 0.87006463451470 15.999 29 Si 0.17551510225746 0.28667203184888 0.96004495982711 28.085 30 Si 0.82448489774254 0.78667203184888 0.53995504017289 28.085 31 Si 0.82448489774254 0.71332796815112 0.03995504017289 28.085 32 Si 0.17551510225746 0.21332796815112 0.46004495982711 28.085 33 Si 0.56587676831309 0.25222629071136 0.95834099849425 28.085 34 Si 0.43412323168691 0.75222629071136 0.54165900150575 28.085 35 Si 0.43412323168691 0.74777370928864 0.04165900150575 28.085 36 Si 0.56587676831309 0.24777370928864 0.45834099849425 28.085 37 Sr 0.78458278414282 0.48178256613134 0.29519736635754 87.620 38 Sr 0.21541721585719 0.98178256613134 0.20480263364247 87.620 39 Sr 0.21541721585719 0.51821743386866 0.70480263364246 87.620 40 Sr 0.78458278414282 0.01821743386866 0.79519736635754 87.620 41 Zr 0.75627796735630 0.01066897274986 0.24526652098523 91.224 42 Zr 0.24372203264370 0.51066897274986 0.25473347901477 91.224 43 Zr 0.24372203264370 0.98933102725014 0.75473347901477 91.224 44 Zr 0.75627796735630 0.48933102725014 0.74526652098523 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.559575020079372 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): 1 O 0.06564636393711 0.09288228212913 0.90585697143294 15.999 > 1 2 O 0.56564636393711 0.09288228212913 0.90585697143294 15.999 > 1 3 O 0.43435363606289 0.59288228212913 0.59414302856706 15.999 > 3 4 O 0.93435363606289 0.59288228212913 0.59414302856706 15.999 > 3 5 O 0.43435363606289 0.90711771787087 0.09414302856706 15.999 > 5 6 O 0.93435363606289 0.90711771787087 0.09414302856706 15.999 > 5 7 O 0.06564636393711 0.40711771787087 0.40585697143294 15.999 > 7 8 O 0.56564636393711 0.40711771787087 0.40585697143294 15.999 > 7 9 O 0.09839130761448 0.29390140553063 0.12628809258047 15.999 > 9 10 O 0.59839130761448 0.29390140553063 0.12628809258047 15.999 > 9 11 O 0.40160869238552 0.79390140553063 0.37371190741953 15.999 > 11 12 O 0.90160869238552 0.79390140553063 0.37371190741953 15.999 > 11 13 O 0.40160869238552 0.70609859446937 0.87371190741953 15.999 > 13 14 O 0.90160869238552 0.70609859446937 0.87371190741953 15.999 > 13 15 O 0.09839130761448 0.20609859446937 0.62628809258047 15.999 > 15 16 O 0.59839130761448 0.20609859446937 0.62628809258047 15.999 > 15 17 O 0.01229918303537 0.40947832177892 0.84890062300354 15.999 > 17 18 O 0.51229918303537 0.40947832177892 0.84890062300354 15.999 > 17 19 O 0.48770081696463 0.90947832177892 0.65109937699646 15.999 > 19 20 O 0.98770081696463 0.90947832177892 0.65109937699646 15.999 > 19 21 O 0.48770081696463 0.59052167822108 0.15109937699646 15.999 > 21 22 O 0.98770081696463 0.59052167822108 0.15109937699646 15.999 > 21 23 O 0.01229918303537 0.09052167822108 0.34890062300354 15.999 > 23 24 O 0.51229918303537 0.09052167822108 0.34890062300354 15.999 > 23 25 O 0.33763861387641 0.36563612268106 0.88327181460978 15.999 > 25 26 O 0.83763861387641 0.36563612268106 0.88327181460978 15.999 > 25 27 O 0.16236138612359 0.86563612268106 0.61672818539022 15.999 > 27 28 O 0.66236138612359 0.86563612268106 0.61672818539022 15.999 > 27 29 O 0.16236138612359 0.63436387731894 0.11672818539022 15.999 > 29 30 O 0.66236138612359 0.63436387731894 0.11672818539022 15.999 > 29 31 O 0.33763861387641 0.13436387731894 0.38327181460978 15.999 > 31 32 O 0.83763861387641 0.13436387731894 0.38327181460978 15.999 > 31 33 O 0.18397643035439 0.15302249751845 0.43718617882640 15.999 > 33 34 O 0.68397643035439 0.15302249751845 0.43718617882640 15.999 > 33 35 O 0.31602356964561 0.65302249751845 0.06281382117360 15.999 > 35 36 O 0.81602356964561 0.65302249751845 0.06281382117360 15.999 > 35 37 O 0.31602356964561 0.84697750248155 0.56281382117360 15.999 > 37 38 O 0.81602356964561 0.84697750248155 0.56281382117360 15.999 > 37 39 O 0.18397643035439 0.34697750248155 0.93718617882640 15.999 > 39 40 O 0.68397643035439 0.34697750248155 0.93718617882640 15.999 > 39 41 O 0.34500422538553 0.26902929729114 0.62648158872547 15.999 > 41 42 O 0.84500422538553 0.26902929729114 0.62648158872547 15.999 > 41 43 O 0.15499577461447 0.76902929729114 0.87351841127453 15.999 > 43 44 O 0.65499577461447 0.76902929729114 0.87351841127453 15.999 > 43 45 O 0.15499577461447 0.73097070270886 0.37351841127453 15.999 > 45 46 O 0.65499577461447 0.73097070270886 0.37351841127453 15.999 > 45 47 O 0.34500422538553 0.23097070270886 0.12648158872547 15.999 > 47 48 O 0.84500422538553 0.23097070270886 0.12648158872547 15.999 > 47 49 O 0.25612598255247 0.42270102119049 0.37006463451470 15.999 > 49 50 O 0.75612598255247 0.42270102119049 0.37006463451470 15.999 > 49 51 O 0.24387401744753 0.92270102119049 0.12993536548530 15.999 > 51 52 O 0.74387401744753 0.92270102119049 0.12993536548530 15.999 > 51 53 O 0.24387401744753 0.57729897880951 0.62993536548530 15.999 > 53 54 O 0.74387401744753 0.57729897880951 0.62993536548530 15.999 > 53 55 O 0.25612598255247 0.07729897880951 0.87006463451470 15.999 > 55 56 O 0.75612598255247 0.07729897880951 0.87006463451470 15.999 > 55 57 Si 0.08775755112873 0.28667203184888 0.96004495982711 28.085 > 57 58 Si 0.58775755112873 0.28667203184888 0.96004495982711 28.085 > 57 59 Si 0.41224244887127 0.78667203184888 0.53995504017289 28.085 > 59 60 Si 0.91224244887127 0.78667203184888 0.53995504017289 28.085 > 59 61 Si 0.41224244887127 0.71332796815112 0.03995504017289 28.085 > 61 62 Si 0.91224244887127 0.71332796815112 0.03995504017289 28.085 > 61 63 Si 0.08775755112873 0.21332796815112 0.46004495982711 28.085 > 63 64 Si 0.58775755112873 0.21332796815112 0.46004495982711 28.085 > 63 65 Si 0.28293838415654 0.25222629071136 0.95834099849425 28.085 > 65 66 Si 0.78293838415654 0.25222629071136 0.95834099849425 28.085 > 65 67 Si 0.21706161584346 0.75222629071136 0.54165900150575 28.085 > 67 68 Si 0.71706161584346 0.75222629071136 0.54165900150575 28.085 > 67 69 Si 0.21706161584346 0.74777370928864 0.04165900150575 28.085 > 69 70 Si 0.71706161584346 0.74777370928864 0.04165900150575 28.085 > 69 71 Si 0.28293838415654 0.24777370928864 0.45834099849425 28.085 > 71 72 Si 0.78293838415654 0.24777370928864 0.45834099849425 28.085 > 71 73 Sr 0.39229139207141 0.48178256613134 0.29519736635754 87.620 > 73 74 Sr 0.89229139207141 0.48178256613134 0.29519736635754 87.620 > 73 75 Sr 0.10770860792859 0.98178256613134 0.20480263364247 87.620 > 75 76 Sr 0.60770860792859 0.98178256613134 0.20480263364247 87.620 > 75 77 Sr 0.10770860792859 0.51821743386866 0.70480263364246 87.620 > 77 78 Sr 0.60770860792859 0.51821743386866 0.70480263364246 87.620 > 77 79 Sr 0.39229139207141 0.01821743386866 0.79519736635754 87.620 > 79 80 Sr 0.89229139207141 0.01821743386866 0.79519736635754 87.620 > 79 81 Zr 0.37813898367815 0.01066897274986 0.24526652098523 91.224 > 81 82 Zr 0.87813898367815 0.01066897274986 0.24526652098523 91.224 > 81 83 Zr 0.12186101632185 0.51066897274986 0.25473347901477 91.224 > 83 84 Zr 0.62186101632185 0.51066897274986 0.25473347901477 91.224 > 83 85 Zr 0.12186101632185 0.98933102725014 0.75473347901477 91.224 > 85 86 Zr 0.62186101632185 0.98933102725014 0.75473347901477 91.224 > 85 87 Zr 0.37813898367815 0.48933102725014 0.74526652098523 91.224 > 87 88 Zr 0.87813898367815 0.48933102725014 0.74526652098523 91.224 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2937186 0.0000000 -0.0142052 0.0000000 3.3107210 0.0000000 -0.0142039 0.0000000 3.3191578 -------------------------- Born effective charges -------------------------- 1 O -1.9587590 0.2900837 0.3471165 0.3047001 -2.2445524 -0.7629090 0.3725100 -0.5027539 -1.9978034 2 O -1.9587590 -0.2900837 0.3471165 -0.3047001 -2.2445524 0.7629090 0.3725100 0.5027539 -1.9978034 3 O -1.9587590 0.2900837 0.3471165 0.3047001 -2.2445524 -0.7629090 0.3725100 -0.5027539 -1.9978034 4 O -1.9587590 -0.2900837 0.3471165 -0.3047001 -2.2445524 0.7629090 0.3725100 0.5027539 -1.9978034 5 O -1.1454583 0.1030308 0.2648766 0.1399145 -2.4112250 -0.7177020 0.3062363 -0.7354797 -2.6769498 6 O -1.1454583 -0.1030308 0.2648766 -0.1399145 -2.4112250 0.7177020 0.3062363 0.7354797 -2.6769498 7 O -1.1454583 0.1030308 0.2648766 0.1399145 -2.4112250 -0.7177020 0.3062363 -0.7354797 -2.6769498 8 O -1.1454583 -0.1030308 0.2648766 -0.1399145 -2.4112250 0.7177020 0.3062363 0.7354797 -2.6769498 9 O -2.8031495 0.7544887 -0.9022142 0.6575225 -1.6810537 0.6446861 -0.7793995 0.5679191 -1.9452932 10 O -2.8031495 -0.7544887 -0.9022142 -0.6575225 -1.6810537 -0.6446861 -0.7793995 -0.5679191 -1.9452932 11 O -2.8031495 0.7544887 -0.9022142 0.6575225 -1.6810537 0.6446861 -0.7793995 0.5679191 -1.9452932 12 O -2.8031495 -0.7544887 -0.9022142 -0.6575225 -1.6810537 -0.6446861 -0.7793995 -0.5679191 -1.9452932 13 O -2.3130331 -1.0717654 1.0331658 -0.9777835 -2.1664049 0.8953189 0.9554014 0.7267394 -2.1261310 14 O -2.3130331 1.0717654 1.0331658 0.9777835 -2.1664049 -0.8953189 0.9554014 -0.7267394 -2.1261310 15 O -2.3130331 -1.0717654 1.0331658 -0.9777835 -2.1664049 0.8953189 0.9554014 0.7267394 -2.1261310 16 O -2.3130331 1.0717654 1.0331658 0.9777835 -2.1664049 -0.8953189 0.9554014 -0.7267394 -2.1261310 17 O -2.7832920 -0.1596012 -0.0437487 -0.2807087 -1.5084628 -0.1533023 0.0149880 -0.0829147 -1.4271878 18 O -2.7832920 0.1596012 -0.0437487 0.2807087 -1.5084628 0.1533023 0.0149880 0.0829147 -1.4271878 19 O -2.7832920 -0.1596012 -0.0437487 -0.2807087 -1.5084628 -0.1533023 0.0149880 -0.0829147 -1.4271878 20 O -2.7832920 0.1596012 -0.0437487 0.2807087 -1.5084628 0.1533023 0.0149880 0.0829147 -1.4271878 21 O -1.1835772 0.0668443 -0.1789366 -0.0398029 -2.3528472 -0.5858740 -0.2374979 -0.7756503 -2.8099671 22 O -1.1835772 -0.0668443 -0.1789366 0.0398029 -2.3528472 0.5858740 -0.2374979 0.7756503 -2.8099671 23 O -1.1835772 0.0668443 -0.1789366 -0.0398029 -2.3528472 -0.5858740 -0.2374979 -0.7756503 -2.8099671 24 O -1.1835772 -0.0668443 -0.1789366 0.0398029 -2.3528472 0.5858740 -0.2374979 0.7756503 -2.8099671 25 O -2.3145910 0.4424618 -0.4627237 0.5323030 -2.0469529 0.6478488 -0.5219500 0.5260583 -1.8990945 26 O -2.3145910 -0.4424618 -0.4627237 -0.5323030 -2.0469529 -0.6478488 -0.5219500 -0.5260583 -1.8990945 27 O -2.3145910 0.4424618 -0.4627237 0.5323030 -2.0469529 0.6478488 -0.5219500 0.5260583 -1.8990945 28 O -2.3145910 -0.4424618 -0.4627237 -0.5323030 -2.0469529 -0.6478488 -0.5219500 -0.5260583 -1.8990945 29 Si 3.1088395 -0.5238164 0.1956679 -0.3790542 3.2338218 0.3732464 -0.0147588 0.1093247 3.6049181 30 Si 3.1088395 0.5238164 0.1956679 0.3790542 3.2338218 -0.3732464 -0.0147588 -0.1093247 3.6049181 31 Si 3.1088395 -0.5238164 0.1956679 -0.3790542 3.2338218 0.3732464 -0.0147588 0.1093247 3.6049181 32 Si 3.1088395 0.5238164 0.1956679 0.3790542 3.2338218 -0.3732464 -0.0147588 -0.1093247 3.6049181 33 Si 3.4414584 0.4915486 -0.0054589 0.3219581 3.3477017 -0.3957363 -0.1982799 -0.0596529 3.7548164 34 Si 3.4414584 -0.4915486 -0.0054589 -0.3219581 3.3477017 0.3957363 -0.1982799 0.0596529 3.7548164 35 Si 3.4414584 0.4915486 -0.0054589 0.3219581 3.3477017 -0.3957363 -0.1982799 -0.0596529 3.7548164 36 Si 3.4414584 -0.4915486 -0.0054589 -0.3219581 3.3477017 0.3957363 -0.1982799 0.0596529 3.7548164 37 Sr 2.7038877 0.0709502 -0.1906336 0.0258726 2.6674279 0.0736243 -0.0887472 0.1746124 2.2907164 38 Sr 2.7038877 -0.0709502 -0.1906336 -0.0258726 2.6674279 -0.0736243 -0.0887472 -0.1746124 2.2907164 39 Sr 2.7038877 0.0709502 -0.1906336 0.0258726 2.6674279 0.0736243 -0.0887472 0.1746124 2.2907164 40 Sr 2.7038877 -0.0709502 -0.1906336 -0.0258726 2.6674279 -0.0736243 -0.0887472 -0.1746124 2.2907164 41 Zr 5.2476745 -0.1073010 -0.0571111 0.0250231 5.1625474 0.6204905 0.1914977 -0.4429055 5.2319758 42 Zr 5.2476745 0.1073010 -0.0571111 -0.0250231 5.1625474 -0.6204905 0.1914977 0.4429055 5.2319758 43 Zr 5.2476745 -0.1073010 -0.0571111 0.0250231 5.1625474 0.6204905 0.1914977 -0.4429055 5.2319758 44 Zr 5.2476745 0.1073010 -0.0571111 -0.0250231 5.1625474 -0.6204905 0.1914977 0.4429055 5.2319758 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:23:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:23:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 7.779787510039686 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): 1 O 0.13129272787423 0.09288228212913 0.90585697143294 15.999 2 O 0.86870727212577 0.59288228212913 0.59414302856706 15.999 3 O 0.86870727212577 0.90711771787087 0.09414302856706 15.999 4 O 0.13129272787423 0.40711771787087 0.40585697143294 15.999 5 O 0.19678261522895 0.29390140553063 0.12628809258047 15.999 6 O 0.80321738477105 0.79390140553063 0.37371190741953 15.999 7 O 0.80321738477105 0.70609859446937 0.87371190741953 15.999 8 O 0.19678261522895 0.20609859446937 0.62628809258047 15.999 9 O 0.02459836607074 0.40947832177892 0.84890062300354 15.999 10 O 0.97540163392926 0.90947832177892 0.65109937699646 15.999 11 O 0.97540163392926 0.59052167822108 0.15109937699646 15.999 12 O 0.02459836607074 0.09052167822108 0.34890062300354 15.999 13 O 0.67527722775283 0.36563612268106 0.88327181460978 15.999 14 O 0.32472277224717 0.86563612268106 0.61672818539022 15.999 15 O 0.32472277224717 0.63436387731894 0.11672818539022 15.999 16 O 0.67527722775283 0.13436387731894 0.38327181460978 15.999 17 O 0.36795286070878 0.15302249751845 0.43718617882640 15.999 18 O 0.63204713929122 0.65302249751845 0.06281382117360 15.999 19 O 0.63204713929122 0.84697750248155 0.56281382117360 15.999 20 O 0.36795286070878 0.34697750248155 0.93718617882640 15.999 21 O 0.69000845077107 0.26902929729114 0.62648158872547 15.999 22 O 0.30999154922893 0.76902929729114 0.87351841127453 15.999 23 O 0.30999154922893 0.73097070270886 0.37351841127453 15.999 24 O 0.69000845077107 0.23097070270886 0.12648158872547 15.999 25 O 0.51225196510495 0.42270102119049 0.37006463451470 15.999 26 O 0.48774803489505 0.92270102119049 0.12993536548530 15.999 27 O 0.48774803489505 0.57729897880951 0.62993536548530 15.999 28 O 0.51225196510495 0.07729897880951 0.87006463451470 15.999 29 Si 0.17551510225746 0.28667203184888 0.96004495982711 28.085 30 Si 0.82448489774254 0.78667203184888 0.53995504017289 28.085 31 Si 0.82448489774254 0.71332796815112 0.03995504017289 28.085 32 Si 0.17551510225746 0.21332796815112 0.46004495982711 28.085 33 Si 0.56587676831309 0.25222629071136 0.95834099849425 28.085 34 Si 0.43412323168691 0.75222629071136 0.54165900150575 28.085 35 Si 0.43412323168691 0.74777370928864 0.04165900150575 28.085 36 Si 0.56587676831309 0.24777370928864 0.45834099849425 28.085 37 Sr 0.78458278414282 0.48178256613134 0.29519736635754 87.620 38 Sr 0.21541721585719 0.98178256613134 0.20480263364247 87.620 39 Sr 0.21541721585719 0.51821743386866 0.70480263364246 87.620 40 Sr 0.78458278414282 0.01821743386866 0.79519736635754 87.620 41 Zr 0.75627796735630 0.01066897274986 0.24526652098523 91.224 42 Zr 0.24372203264370 0.51066897274986 0.25473347901477 91.224 43 Zr 0.24372203264370 0.98933102725014 0.75473347901477 91.224 44 Zr 0.75627796735630 0.48933102725014 0.74526652098523 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.559575020079372 0.000000000000000 0.000000000000000 b 0.000000000000000 8.049925269999997 0.000000000000000 c -3.747753651217240 0.000000000000000 9.373688499068132 Atomic positions (fractional): 1 O 0.06564636393711 0.09288228212913 0.90585697143294 15.999 > 1 2 O 0.56564636393711 0.09288228212913 0.90585697143294 15.999 > 1 3 O 0.43435363606289 0.59288228212913 0.59414302856706 15.999 > 3 4 O 0.93435363606289 0.59288228212913 0.59414302856706 15.999 > 3 5 O 0.43435363606289 0.90711771787087 0.09414302856706 15.999 > 5 6 O 0.93435363606289 0.90711771787087 0.09414302856706 15.999 > 5 7 O 0.06564636393711 0.40711771787087 0.40585697143294 15.999 > 7 8 O 0.56564636393711 0.40711771787087 0.40585697143294 15.999 > 7 9 O 0.09839130761448 0.29390140553063 0.12628809258047 15.999 > 9 10 O 0.59839130761448 0.29390140553063 0.12628809258047 15.999 > 9 11 O 0.40160869238552 0.79390140553063 0.37371190741953 15.999 > 11 12 O 0.90160869238552 0.79390140553063 0.37371190741953 15.999 > 11 13 O 0.40160869238552 0.70609859446937 0.87371190741953 15.999 > 13 14 O 0.90160869238552 0.70609859446937 0.87371190741953 15.999 > 13 15 O 0.09839130761448 0.20609859446937 0.62628809258047 15.999 > 15 16 O 0.59839130761448 0.20609859446937 0.62628809258047 15.999 > 15 17 O 0.01229918303537 0.40947832177892 0.84890062300354 15.999 > 17 18 O 0.51229918303537 0.40947832177892 0.84890062300354 15.999 > 17 19 O 0.48770081696463 0.90947832177892 0.65109937699646 15.999 > 19 20 O 0.98770081696463 0.90947832177892 0.65109937699646 15.999 > 19 21 O 0.48770081696463 0.59052167822108 0.15109937699646 15.999 > 21 22 O 0.98770081696463 0.59052167822108 0.15109937699646 15.999 > 21 23 O 0.01229918303537 0.09052167822108 0.34890062300354 15.999 > 23 24 O 0.51229918303537 0.09052167822108 0.34890062300354 15.999 > 23 25 O 0.33763861387641 0.36563612268106 0.88327181460978 15.999 > 25 26 O 0.83763861387641 0.36563612268106 0.88327181460978 15.999 > 25 27 O 0.16236138612359 0.86563612268106 0.61672818539022 15.999 > 27 28 O 0.66236138612359 0.86563612268106 0.61672818539022 15.999 > 27 29 O 0.16236138612359 0.63436387731894 0.11672818539022 15.999 > 29 30 O 0.66236138612359 0.63436387731894 0.11672818539022 15.999 > 29 31 O 0.33763861387641 0.13436387731894 0.38327181460978 15.999 > 31 32 O 0.83763861387641 0.13436387731894 0.38327181460978 15.999 > 31 33 O 0.18397643035439 0.15302249751845 0.43718617882640 15.999 > 33 34 O 0.68397643035439 0.15302249751845 0.43718617882640 15.999 > 33 35 O 0.31602356964561 0.65302249751845 0.06281382117360 15.999 > 35 36 O 0.81602356964561 0.65302249751845 0.06281382117360 15.999 > 35 37 O 0.31602356964561 0.84697750248155 0.56281382117360 15.999 > 37 38 O 0.81602356964561 0.84697750248155 0.56281382117360 15.999 > 37 39 O 0.18397643035439 0.34697750248155 0.93718617882640 15.999 > 39 40 O 0.68397643035439 0.34697750248155 0.93718617882640 15.999 > 39 41 O 0.34500422538553 0.26902929729114 0.62648158872547 15.999 > 41 42 O 0.84500422538553 0.26902929729114 0.62648158872547 15.999 > 41 43 O 0.15499577461447 0.76902929729114 0.87351841127453 15.999 > 43 44 O 0.65499577461447 0.76902929729114 0.87351841127453 15.999 > 43 45 O 0.15499577461447 0.73097070270886 0.37351841127453 15.999 > 45 46 O 0.65499577461447 0.73097070270886 0.37351841127453 15.999 > 45 47 O 0.34500422538553 0.23097070270886 0.12648158872547 15.999 > 47 48 O 0.84500422538553 0.23097070270886 0.12648158872547 15.999 > 47 49 O 0.25612598255247 0.42270102119049 0.37006463451470 15.999 > 49 50 O 0.75612598255247 0.42270102119049 0.37006463451470 15.999 > 49 51 O 0.24387401744753 0.92270102119049 0.12993536548530 15.999 > 51 52 O 0.74387401744753 0.92270102119049 0.12993536548530 15.999 > 51 53 O 0.24387401744753 0.57729897880951 0.62993536548530 15.999 > 53 54 O 0.74387401744753 0.57729897880951 0.62993536548530 15.999 > 53 55 O 0.25612598255247 0.07729897880951 0.87006463451470 15.999 > 55 56 O 0.75612598255247 0.07729897880951 0.87006463451470 15.999 > 55 57 Si 0.08775755112873 0.28667203184888 0.96004495982711 28.085 > 57 58 Si 0.58775755112873 0.28667203184888 0.96004495982711 28.085 > 57 59 Si 0.41224244887127 0.78667203184888 0.53995504017289 28.085 > 59 60 Si 0.91224244887127 0.78667203184888 0.53995504017289 28.085 > 59 61 Si 0.41224244887127 0.71332796815112 0.03995504017289 28.085 > 61 62 Si 0.91224244887127 0.71332796815112 0.03995504017289 28.085 > 61 63 Si 0.08775755112873 0.21332796815112 0.46004495982711 28.085 > 63 64 Si 0.58775755112873 0.21332796815112 0.46004495982711 28.085 > 63 65 Si 0.28293838415654 0.25222629071136 0.95834099849425 28.085 > 65 66 Si 0.78293838415654 0.25222629071136 0.95834099849425 28.085 > 65 67 Si 0.21706161584346 0.75222629071136 0.54165900150575 28.085 > 67 68 Si 0.71706161584346 0.75222629071136 0.54165900150575 28.085 > 67 69 Si 0.21706161584346 0.74777370928864 0.04165900150575 28.085 > 69 70 Si 0.71706161584346 0.74777370928864 0.04165900150575 28.085 > 69 71 Si 0.28293838415654 0.24777370928864 0.45834099849425 28.085 > 71 72 Si 0.78293838415654 0.24777370928864 0.45834099849425 28.085 > 71 73 Sr 0.39229139207141 0.48178256613134 0.29519736635754 87.620 > 73 74 Sr 0.89229139207141 0.48178256613134 0.29519736635754 87.620 > 73 75 Sr 0.10770860792859 0.98178256613134 0.20480263364247 87.620 > 75 76 Sr 0.60770860792859 0.98178256613134 0.20480263364247 87.620 > 75 77 Sr 0.10770860792859 0.51821743386866 0.70480263364246 87.620 > 77 78 Sr 0.60770860792859 0.51821743386866 0.70480263364246 87.620 > 77 79 Sr 0.39229139207141 0.01821743386866 0.79519736635754 87.620 > 79 80 Sr 0.89229139207141 0.01821743386866 0.79519736635754 87.620 > 79 81 Zr 0.37813898367815 0.01066897274986 0.24526652098523 91.224 > 81 82 Zr 0.87813898367815 0.01066897274986 0.24526652098523 91.224 > 81 83 Zr 0.12186101632185 0.51066897274986 0.25473347901477 91.224 > 83 84 Zr 0.62186101632185 0.51066897274986 0.25473347901477 91.224 > 83 85 Zr 0.12186101632185 0.98933102725014 0.75473347901477 91.224 > 85 86 Zr 0.62186101632185 0.98933102725014 0.75473347901477 91.224 > 85 87 Zr 0.37813898367815 0.48933102725014 0.74526652098523 91.224 > 87 88 Zr 0.87813898367815 0.48933102725014 0.74526652098523 91.224 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2937186 0.0000000 -0.0142052 0.0000000 3.3107210 0.0000000 -0.0142039 0.0000000 3.3191578 -------------------------- Born effective charges -------------------------- 1 O -1.9587590 0.2900837 0.3471165 0.3047001 -2.2445524 -0.7629090 0.3725100 -0.5027539 -1.9978034 2 O -1.9587590 -0.2900837 0.3471165 -0.3047001 -2.2445524 0.7629090 0.3725100 0.5027539 -1.9978034 3 O -1.9587590 0.2900837 0.3471165 0.3047001 -2.2445524 -0.7629090 0.3725100 -0.5027539 -1.9978034 4 O -1.9587590 -0.2900837 0.3471165 -0.3047001 -2.2445524 0.7629090 0.3725100 0.5027539 -1.9978034 5 O -1.1454583 0.1030308 0.2648766 0.1399145 -2.4112250 -0.7177020 0.3062363 -0.7354797 -2.6769498 6 O -1.1454583 -0.1030308 0.2648766 -0.1399145 -2.4112250 0.7177020 0.3062363 0.7354797 -2.6769498 7 O -1.1454583 0.1030308 0.2648766 0.1399145 -2.4112250 -0.7177020 0.3062363 -0.7354797 -2.6769498 8 O -1.1454583 -0.1030308 0.2648766 -0.1399145 -2.4112250 0.7177020 0.3062363 0.7354797 -2.6769498 9 O -2.8031495 0.7544887 -0.9022142 0.6575225 -1.6810537 0.6446861 -0.7793995 0.5679191 -1.9452932 10 O -2.8031495 -0.7544887 -0.9022142 -0.6575225 -1.6810537 -0.6446861 -0.7793995 -0.5679191 -1.9452932 11 O -2.8031495 0.7544887 -0.9022142 0.6575225 -1.6810537 0.6446861 -0.7793995 0.5679191 -1.9452932 12 O -2.8031495 -0.7544887 -0.9022142 -0.6575225 -1.6810537 -0.6446861 -0.7793995 -0.5679191 -1.9452932 13 O -2.3130331 -1.0717654 1.0331658 -0.9777835 -2.1664049 0.8953189 0.9554014 0.7267394 -2.1261310 14 O -2.3130331 1.0717654 1.0331658 0.9777835 -2.1664049 -0.8953189 0.9554014 -0.7267394 -2.1261310 15 O -2.3130331 -1.0717654 1.0331658 -0.9777835 -2.1664049 0.8953189 0.9554014 0.7267394 -2.1261310 16 O -2.3130331 1.0717654 1.0331658 0.9777835 -2.1664049 -0.8953189 0.9554014 -0.7267394 -2.1261310 17 O -2.7832920 -0.1596012 -0.0437487 -0.2807087 -1.5084628 -0.1533023 0.0149880 -0.0829147 -1.4271878 18 O -2.7832920 0.1596012 -0.0437487 0.2807087 -1.5084628 0.1533023 0.0149880 0.0829147 -1.4271878 19 O -2.7832920 -0.1596012 -0.0437487 -0.2807087 -1.5084628 -0.1533023 0.0149880 -0.0829147 -1.4271878 20 O -2.7832920 0.1596012 -0.0437487 0.2807087 -1.5084628 0.1533023 0.0149880 0.0829147 -1.4271878 21 O -1.1835772 0.0668443 -0.1789366 -0.0398029 -2.3528472 -0.5858740 -0.2374979 -0.7756503 -2.8099671 22 O -1.1835772 -0.0668443 -0.1789366 0.0398029 -2.3528472 0.5858740 -0.2374979 0.7756503 -2.8099671 23 O -1.1835772 0.0668443 -0.1789366 -0.0398029 -2.3528472 -0.5858740 -0.2374979 -0.7756503 -2.8099671 24 O -1.1835772 -0.0668443 -0.1789366 0.0398029 -2.3528472 0.5858740 -0.2374979 0.7756503 -2.8099671 25 O -2.3145910 0.4424618 -0.4627237 0.5323030 -2.0469529 0.6478488 -0.5219500 0.5260583 -1.8990945 26 O -2.3145910 -0.4424618 -0.4627237 -0.5323030 -2.0469529 -0.6478488 -0.5219500 -0.5260583 -1.8990945 27 O -2.3145910 0.4424618 -0.4627237 0.5323030 -2.0469529 0.6478488 -0.5219500 0.5260583 -1.8990945 28 O -2.3145910 -0.4424618 -0.4627237 -0.5323030 -2.0469529 -0.6478488 -0.5219500 -0.5260583 -1.8990945 29 Si 3.1088395 -0.5238164 0.1956679 -0.3790542 3.2338218 0.3732464 -0.0147588 0.1093247 3.6049181 30 Si 3.1088395 0.5238164 0.1956679 0.3790542 3.2338218 -0.3732464 -0.0147588 -0.1093247 3.6049181 31 Si 3.1088395 -0.5238164 0.1956679 -0.3790542 3.2338218 0.3732464 -0.0147588 0.1093247 3.6049181 32 Si 3.1088395 0.5238164 0.1956679 0.3790542 3.2338218 -0.3732464 -0.0147588 -0.1093247 3.6049181 33 Si 3.4414584 0.4915486 -0.0054589 0.3219581 3.3477017 -0.3957363 -0.1982799 -0.0596529 3.7548164 34 Si 3.4414584 -0.4915486 -0.0054589 -0.3219581 3.3477017 0.3957363 -0.1982799 0.0596529 3.7548164 35 Si 3.4414584 0.4915486 -0.0054589 0.3219581 3.3477017 -0.3957363 -0.1982799 -0.0596529 3.7548164 36 Si 3.4414584 -0.4915486 -0.0054589 -0.3219581 3.3477017 0.3957363 -0.1982799 0.0596529 3.7548164 37 Sr 2.7038877 0.0709502 -0.1906336 0.0258726 2.6674279 0.0736243 -0.0887472 0.1746124 2.2907164 38 Sr 2.7038877 -0.0709502 -0.1906336 -0.0258726 2.6674279 -0.0736243 -0.0887472 -0.1746124 2.2907164 39 Sr 2.7038877 0.0709502 -0.1906336 0.0258726 2.6674279 0.0736243 -0.0887472 0.1746124 2.2907164 40 Sr 2.7038877 -0.0709502 -0.1906336 -0.0258726 2.6674279 -0.0736243 -0.0887472 -0.1746124 2.2907164 41 Zr 5.2476745 -0.1073010 -0.0571111 0.0250231 5.1625474 0.6204905 0.1914977 -0.4429055 5.2319758 42 Zr 5.2476745 0.1073010 -0.0571111 -0.0250231 5.1625474 -0.6204905 0.1914977 0.4429055 5.2319758 43 Zr 5.2476745 -0.1073010 -0.0571111 0.0250231 5.1625474 0.6204905 0.1914977 -0.4429055 5.2319758 44 Zr 5.2476745 0.1073010 -0.0571111 -0.0250231 5.1625474 -0.6204905 0.1914977 0.4429055 5.2319758 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 6 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: 0.50, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 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 2.181 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.487 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 13.734 ( 0.000 0.000 0.000) 0.000 14.166 ( 0.000 0.000 0.000) 0.000 14.380 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.658 ( 0.000 0.000 0.000) 0.000 15.321 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.363 ( 0.000 0.000 0.000) 0.000 15.571 ( 0.000 0.000 0.000) 0.000 15.750 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.081 ( 0.000 0.000 0.000) 0.000 16.303 ( 0.000 0.000 0.000) 0.000 16.697 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.150 ( 0.000 0.000 0.000) 0.000 17.568 ( 0.000 0.000 0.000) 0.000 20.325 ( 0.000 0.000 0.000) 0.000 20.557 ( 0.000 0.000 0.000) 0.000 20.639 ( 0.000 0.000 0.000) 0.000 21.059 ( 0.000 0.000 0.000) 0.000 25.302 ( 0.000 0.000 0.000) 0.000 25.387 ( 0.000 0.000 0.000) 0.000 25.487 ( 0.000 0.000 0.000) 0.000 25.496 ( 0.000 0.000 0.000) 0.000 25.962 ( 0.000 0.000 0.000) 0.000 26.184 ( 0.000 0.000 0.000) 0.000 26.640 ( 0.000 0.000 0.000) 0.000 26.842 ( 0.000 0.000 0.000) 0.000 26.921 ( 0.000 0.000 0.000) 0.000 27.110 ( 0.000 0.000 0.000) 0.000 27.145 ( 0.000 0.000 0.000) 0.000 27.459 ( 0.000 0.000 0.000) 0.000 27.730 ( 0.000 0.000 0.000) 0.000 27.788 ( 0.000 0.000 0.000) 0.000 27.790 ( 0.000 0.000 0.000) 0.000 27.990 ( 0.000 0.000 0.000) 0.000 28.041 ( 0.000 0.000 0.000) 0.000 28.220 ( 0.000 0.000 0.000) 0.000 28.479 ( 0.000 0.000 0.000) 0.000 28.704 ( 0.000 0.000 0.000) 0.000 29.396 ( 0.000 0.000 0.000) 0.000 29.451 ( 0.000 0.000 0.000) 0.000 29.477 ( 0.000 0.000 0.000) 0.000 29.634 ( 0.000 0.000 0.000) 0.000 30.010 ( 0.000 0.000 0.000) 0.000 31.583 ( 0.000 0.000 0.000) 0.000 31.901 ( 0.000 0.000 0.000) 0.000 32.452 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 29.450 0.000 19.366) 35.247 0.733 ( 31.845 0.000 17.174) 36.181 1.285 ( 59.633 0.000 14.464) 61.363 2.062 ( -3.795 0.000 3.629) 5.251 2.397 ( 6.390 0.000 2.755) 6.959 2.496 ( 2.796 0.000 -6.647) 7.211 2.498 ( 0.090 0.000 -1.782) 1.785 2.583 ( 2.266 0.000 3.797) 4.421 2.709 ( 5.249 0.000 -9.580) 10.924 2.723 ( 16.954 0.000 -1.972) 17.068 2.851 ( 18.762 0.000 4.906) 19.393 3.063 ( -0.283 0.000 -0.506) 0.580 3.092 ( 3.387 0.000 4.204) 5.398 3.252 ( 9.031 0.000 -1.129) 9.102 3.304 ( 1.353 0.000 2.313) 2.679 3.596 ( -0.232 0.000 5.932) 5.936 3.650 ( -2.045 0.000 5.674) 6.031 3.898 ( 2.629 0.000 -7.472) 7.921 4.054 ( 0.963 0.000 -1.862) 2.096 4.262 ( 1.198 0.000 -11.194) 11.258 4.328 ( 0.689 0.000 3.984) 4.043 4.337 ( -9.444 0.000 1.113) 9.510 4.452 ( 0.643 0.000 -0.258) 0.693 4.613 ( -8.088 0.000 -0.419) 8.099 4.630 ( -6.498 0.000 6.131) 8.934 4.733 ( -3.971 0.000 -5.172) 6.521 4.905 ( 3.958 0.000 -5.297) 6.613 4.914 ( -0.602 0.000 -0.966) 1.138 5.071 ( 5.634 0.000 -0.358) 5.645 5.253 ( 2.713 0.000 -0.104) 2.715 5.282 ( 11.500 0.000 3.507) 12.023 5.531 ( 9.339 0.000 1.183) 9.414 5.771 ( 0.519 0.000 0.189) 0.552 5.817 ( 1.338 0.000 -10.471) 10.556 6.023 ( -1.841 0.000 4.288) 4.666 6.204 ( -1.098 0.000 -2.164) 2.427 6.281 ( -3.557 0.000 -5.822) 6.822 6.362 ( 0.218 0.000 2.354) 2.364 6.457 ( 1.550 0.000 10.454) 10.569 6.459 ( 1.697 0.000 0.209) 1.710 6.518 ( -1.449 0.000 -3.383) 3.680 6.680 ( -5.511 0.000 -4.478) 7.101 6.903 ( -3.338 0.000 1.777) 3.781 7.044 ( 2.137 0.000 -2.248) 3.102 7.076 ( -10.454 0.000 -9.834) 14.352 7.399 ( -4.750 0.000 -5.743) 7.453 7.453 ( -9.710 0.000 1.175) 9.781 7.675 ( 2.382 0.000 3.639) 4.349 7.867 ( -5.101 0.000 -3.562) 6.221 7.911 ( 11.099 0.000 -33.175) 34.982 8.108 ( 1.398 0.000 0.481) 1.478 8.209 ( 3.628 0.000 -6.832) 7.736 8.326 ( 9.081 0.000 9.660) 13.258 8.338 ( -8.050 0.000 0.002) 8.050 8.626 ( -15.471 0.000 3.670) 15.901 8.663 ( -15.040 0.000 19.856) 24.909 9.161 ( -0.031 0.000 -1.703) 1.703 9.337 ( -1.964 0.000 -0.699) 2.085 9.375 ( 0.070 0.000 0.453) 0.459 9.393 ( -14.216 0.000 27.492) 30.950 9.665 ( -0.164 0.000 10.053) 10.054 9.681 ( 5.443 0.000 4.982) 7.379 9.781 ( 4.592 0.000 3.331) 5.673 10.104 ( -9.409 0.000 18.315) 20.591 10.372 ( -4.130 0.000 -7.298) 8.385 10.399 ( 3.594 0.000 -3.730) 5.180 10.544 ( -5.483 0.000 -0.904) 5.557 10.583 ( -8.594 0.000 3.485) 9.274 11.137 ( -1.179 0.000 0.340) 1.227 11.401 ( 1.286 0.000 -4.869) 5.036 11.540 ( -0.002 0.000 -7.744) 7.744 11.775 ( 3.013 0.000 3.267) 4.444 11.788 ( 1.320 0.000 0.799) 1.543 11.876 ( 4.991 0.000 10.881) 11.971 12.298 ( -6.846 0.000 -0.108) 6.847 12.616 ( -13.432 0.000 -0.997) 13.469 12.624 ( 7.752 0.000 -6.349) 10.021 12.852 ( 3.313 0.000 -1.069) 3.482 12.968 ( -2.459 0.000 2.555) 3.547 13.365 ( 3.909 0.000 -1.605) 4.226 13.618 ( 5.126 0.000 -1.328) 5.296 13.684 ( 11.056 0.000 -2.790) 11.403 13.707 ( -0.445 0.000 -6.451) 6.466 14.031 ( 9.631 0.000 -9.388) 13.449 14.170 ( 0.262 0.000 0.638) 0.690 14.495 ( 10.637 0.000 0.467) 10.647 14.684 ( 4.704 0.000 -3.875) 6.095 15.117 ( 1.146 0.000 7.863) 7.946 15.320 ( -0.320 0.000 0.611) 0.690 15.385 ( 1.550 0.000 1.600) 2.228 15.469 ( 1.105 0.000 -3.109) 3.300 15.568 ( -0.561 0.000 0.695) 0.894 15.753 ( 0.576 0.000 -0.010) 0.576 16.093 ( -0.019 0.000 -0.202) 0.203 16.188 ( 6.809 0.000 3.477) 7.645 16.288 ( -2.586 0.000 2.027) 3.285 16.956 ( 1.241 0.000 0.972) 1.577 17.103 ( -4.737 0.000 -0.374) 4.751 17.500 ( 9.030 0.000 -36.747) 37.841 17.594 ( 3.197 0.000 -0.717) 3.277 20.311 ( -1.761 0.000 0.862) 1.961 20.498 ( -5.309 0.000 -2.186) 5.741 20.623 ( -1.720 0.000 -0.647) 1.838 20.983 ( -7.537 0.000 -0.632) 7.563 25.321 ( 1.525 0.000 1.002) 1.824 25.399 ( 1.266 0.000 -0.358) 1.316 25.483 ( -1.099 0.000 -0.464) 1.193 25.619 ( 0.158 0.000 -2.443) 2.448 25.980 ( 1.381 0.000 1.517) 2.051 26.162 ( -2.147 0.000 -0.482) 2.200 26.608 ( -2.849 0.000 -1.538) 3.238 26.783 ( -12.375 0.000 -0.271) 12.378 26.987 ( -0.306 0.000 -9.672) 9.677 27.176 ( 8.578 0.000 -13.238) 15.774 27.204 ( 4.387 0.000 -0.616) 4.430 27.427 ( 3.665 0.000 -7.822) 8.638 27.757 ( 2.023 0.000 0.973) 2.245 27.948 ( 8.143 0.000 7.252) 10.904 27.978 ( 0.158 0.000 -2.046) 2.053 28.068 ( 2.766 0.000 1.118) 2.984 28.203 ( 2.430 0.000 16.975) 17.148 28.499 ( 1.339 0.000 4.392) 4.592 28.723 ( 3.672 0.000 -4.287) 5.645 29.348 ( -4.547 0.000 -0.458) 4.570 29.368 ( -5.381 0.000 1.851) 5.691 29.526 ( 5.958 0.000 -2.466) 6.448 29.661 ( 3.097 0.000 -1.646) 3.507 30.007 ( -0.554 0.000 0.230) 0.600 30.909 ( -30.524 0.000 73.017) 79.140 31.826 ( -6.028 0.000 -3.655) 7.050 31.899 ( 15.366 0.000 -40.496) 43.313 32.426 ( -5.101 0.000 5.782) 7.710 ======================= Grid point 2 (3/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 25.165 0.000 16.874) 30.299 1.392 ( 26.448 0.000 13.829) 29.845 2.103 ( 2.575 0.000 7.505) 7.934 2.169 ( 18.248 0.000 5.960) 19.197 2.401 ( -5.472 0.000 -8.219) 9.875 2.487 ( 0.975 0.000 3.050) 3.202 2.541 ( 6.216 0.000 -0.612) 6.246 2.608 ( -2.504 0.000 -3.348) 4.181 2.820 ( 20.658 0.000 6.888) 21.776 3.061 ( 6.087 0.000 -7.953) 10.015 3.116 ( 10.575 0.000 0.404) 10.583 3.160 ( 5.354 0.000 -0.316) 5.363 3.215 ( 15.163 0.000 7.071) 16.731 3.399 ( 5.750 0.000 2.827) 6.407 3.455 ( 12.129 0.000 -1.275) 12.195 3.602 ( -3.592 0.000 -2.522) 4.389 3.767 ( 9.396 0.000 8.731) 12.826 3.894 ( 6.767 0.000 -9.745) 11.864 3.994 ( -7.893 0.000 -2.197) 8.193 4.161 ( -4.592 0.000 -2.379) 5.171 4.187 ( -5.512 0.000 5.114) 7.519 4.387 ( 5.757 0.000 -1.355) 5.914 4.459 ( -5.287 0.000 -3.323) 6.244 4.491 ( 2.367 0.000 0.454) 2.410 4.627 ( -0.938 0.000 6.249) 6.319 4.653 ( -2.047 0.000 -5.272) 5.655 4.863 ( -8.436 0.000 0.491) 8.450 4.966 ( -3.154 0.000 -4.182) 5.238 5.002 ( 10.337 0.000 -1.321) 10.421 5.471 ( 16.391 0.000 -2.194) 16.538 5.487 ( 8.074 0.000 -6.215) 10.189 5.715 ( 8.079 0.000 -6.322) 10.259 5.770 ( -2.136 0.000 5.040) 5.474 5.868 ( 11.733 0.000 1.357) 11.811 5.945 ( -8.772 0.000 -1.476) 8.895 6.129 ( -8.850 0.000 -2.165) 9.111 6.170 ( -0.018 0.000 -2.068) 2.068 6.387 ( 0.755 0.000 2.206) 2.331 6.440 ( -4.651 0.000 -0.934) 4.744 6.525 ( 3.466 0.000 0.593) 3.517 6.536 ( -11.288 0.000 1.713) 11.417 6.577 ( 3.385 0.000 5.027) 6.060 6.787 ( -10.579 0.000 0.601) 10.596 6.885 ( 2.562 0.000 -3.801) 4.584 7.037 ( -0.202 0.000 -1.868) 1.879 7.222 ( -10.388 0.000 -5.342) 11.681 7.243 ( -13.518 0.000 1.890) 13.649 7.718 ( -0.014 0.000 2.337) 2.337 7.778 ( -1.448 0.000 -2.117) 2.565 7.849 ( -1.673 0.000 -10.593) 10.725 8.134 ( 0.117 0.000 -1.615) 1.620 8.166 ( -9.800 0.000 1.468) 9.910 8.201 ( 1.372 0.000 -7.007) 7.140 8.372 ( -13.168 0.000 7.491) 15.149 8.527 ( -6.196 0.000 -0.940) 6.267 8.556 ( 6.479 0.000 8.899) 11.008 9.121 ( -3.506 0.000 -0.678) 3.570 9.298 ( 1.066 0.000 -2.773) 2.970 9.321 ( -7.495 0.000 12.219) 14.334 9.413 ( 1.537 0.000 2.492) 2.928 9.764 ( 5.916 0.000 -1.979) 6.238 9.802 ( 3.179 0.000 6.680) 7.398 9.908 ( 4.246 0.000 4.285) 6.032 10.083 ( -4.484 0.000 14.798) 15.462 10.232 ( -4.602 0.000 -7.169) 8.519 10.323 ( -13.099 0.000 -6.336) 14.551 10.408 ( 1.086 0.000 -6.675) 6.763 10.434 ( -10.153 0.000 1.193) 10.223 11.128 ( -0.596 0.000 1.981) 2.069 11.396 ( 0.193 0.000 -0.062) 0.203 11.479 ( -0.717 0.000 -6.138) 6.180 11.813 ( 0.708 0.000 1.359) 1.533 11.882 ( 4.818 0.000 3.887) 6.191 12.088 ( 7.341 0.000 13.855) 15.679 12.222 ( -2.366 0.000 1.002) 2.569 12.387 ( -9.055 0.000 -2.640) 9.433 12.646 ( 2.177 0.000 -12.805) 12.989 12.931 ( 4.467 0.000 2.931) 5.343 12.948 ( -1.592 0.000 3.870) 4.185 13.357 ( -2.364 0.000 -3.574) 4.286 13.639 ( -1.274 0.000 -5.846) 5.983 13.722 ( 7.147 0.000 -2.160) 7.466 13.921 ( 14.646 0.000 -1.466) 14.719 14.166 ( 8.376 0.000 -2.261) 8.676 14.187 ( 0.886 0.000 0.776) 1.178 14.700 ( 10.211 0.000 -0.208) 10.213 14.717 ( 1.828 0.000 -4.889) 5.219 15.206 ( 2.215 0.000 2.527) 3.360 15.321 ( -0.364 0.000 1.437) 1.483 15.418 ( 0.557 0.000 0.350) 0.658 15.504 ( 4.006 0.000 3.039) 5.028 15.569 ( -0.139 0.000 1.415) 1.422 15.787 ( 2.948 0.000 1.376) 3.254 16.092 ( 0.243 0.000 0.547) 0.599 16.236 ( -4.451 0.000 1.672) 4.755 16.378 ( 9.659 0.000 2.909) 10.088 16.991 ( 1.249 0.000 1.516) 1.964 16.991 ( -6.492 0.000 1.037) 6.575 17.352 ( -2.172 0.000 -19.980) 20.098 17.673 ( 5.668 0.000 -0.752) 5.718 20.284 ( -1.696 0.000 1.432) 2.220 20.366 ( -6.798 0.000 -1.447) 6.951 20.573 ( -2.602 0.000 -1.067) 2.813 20.802 ( -10.298 0.000 -1.474) 10.403 25.364 ( 1.856 0.000 1.520) 2.399 25.419 ( 1.239 0.000 -1.100) 1.657 25.458 ( -1.154 0.000 -0.160) 1.165 25.600 ( 0.019 0.000 -2.709) 2.709 26.037 ( 3.302 0.000 2.470) 4.124 26.106 ( -2.946 0.000 -0.879) 3.074 26.532 ( -13.049 0.000 -1.399) 13.124 26.539 ( -3.506 0.000 0.213) 3.512 26.933 ( -0.766 0.000 -2.627) 2.737 27.216 ( 4.243 0.000 -7.266) 8.415 27.254 ( 3.006 0.000 -3.784) 4.832 27.514 ( 8.014 0.000 -1.403) 8.136 27.797 ( 1.123 0.000 1.185) 1.632 27.973 ( 0.641 0.000 -1.530) 1.659 28.064 ( 2.075 0.000 2.675) 3.386 28.146 ( 2.829 0.000 0.138) 2.832 28.413 ( 9.682 0.000 7.273) 12.110 28.611 ( 3.388 0.000 9.796) 10.366 28.784 ( 7.920 0.000 -6.518) 10.258 29.243 ( -5.991 0.000 -0.082) 5.991 29.268 ( -6.923 0.000 1.848) 7.166 29.632 ( 7.082 0.000 -1.562) 7.252 29.706 ( 3.204 0.000 -2.645) 4.155 29.984 ( -2.535 0.000 0.636) 2.613 30.879 ( -13.071 0.000 28.422) 31.284 31.663 ( -7.533 0.000 -3.796) 8.435 31.881 ( 5.157 0.000 -15.377) 16.219 32.356 ( -6.972 0.000 6.425) 9.481 ======================= Grid point 3 (4/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 12.318 0.000 8.923) 15.211 1.848 ( 12.470 0.000 6.597) 14.107 2.209 ( -2.395 0.000 4.621) 5.205 2.257 ( -0.304 0.000 -1.341) 1.375 2.292 ( 5.372 0.000 -1.024) 5.469 2.489 ( -7.376 0.000 -6.233) 9.656 2.524 ( 1.328 0.000 0.812) 1.556 2.590 ( -1.301 0.000 -0.050) 1.302 3.035 ( 3.353 0.000 2.042) 3.926 3.197 ( 3.929 0.000 1.238) 4.119 3.211 ( 1.416 0.000 1.285) 1.913 3.232 ( 4.088 0.000 1.139) 4.243 3.403 ( -8.433 0.000 -7.015) 10.969 3.491 ( 7.193 0.000 2.497) 7.614 3.641 ( 4.340 0.000 0.149) 4.343 3.700 ( 8.601 0.000 6.328) 10.678 3.768 ( -0.246 0.000 -5.569) 5.575 3.968 ( 4.202 0.000 -1.272) 4.391 3.991 ( 5.038 0.000 7.371) 8.928 4.083 ( -0.698 0.000 -6.287) 6.325 4.268 ( 10.016 0.000 -2.795) 10.398 4.365 ( -2.511 0.000 0.672) 2.599 4.443 ( -9.967 0.000 1.510) 10.081 4.526 ( 4.639 0.000 -0.430) 4.658 4.638 ( 3.872 0.000 -0.824) 3.959 4.651 ( 1.462 0.000 2.791) 3.151 4.732 ( -2.857 0.000 1.239) 3.114 4.961 ( 1.394 0.000 -2.356) 2.737 5.210 ( 12.172 0.000 -2.355) 12.398 5.418 ( -3.809 0.000 -6.266) 7.333 5.635 ( -20.179 0.000 0.725) 20.192 5.727 ( 7.087 0.000 2.432) 7.492 5.766 ( 5.560 0.000 -7.531) 9.361 5.835 ( 1.805 0.000 0.836) 1.990 5.996 ( -0.434 0.000 -2.042) 2.088 6.148 ( 7.193 0.000 6.980) 10.023 6.189 ( 3.774 0.000 -2.414) 4.479 6.289 ( -6.079 0.000 -0.687) 6.118 6.368 ( -2.285 0.000 -2.247) 3.204 6.456 ( -0.439 0.000 2.630) 2.667 6.557 ( -0.249 0.000 0.708) 0.751 6.650 ( 1.111 0.000 -4.020) 4.170 6.680 ( 1.092 0.000 9.688) 9.750 6.910 ( -13.586 0.000 -5.385) 14.614 6.940 ( -4.024 0.000 -0.817) 4.106 7.045 ( -1.634 0.000 -0.166) 1.642 7.130 ( 3.201 0.000 6.132) 6.918 7.679 ( -6.826 0.000 -7.250) 9.958 7.722 ( -0.309 0.000 0.533) 0.616 7.778 ( 1.392 0.000 -0.474) 1.471 8.042 ( -4.159 0.000 0.973) 4.271 8.067 ( -4.030 0.000 0.522) 4.064 8.185 ( 0.676 0.000 -2.265) 2.364 8.308 ( -0.668 0.000 2.624) 2.708 8.446 ( -1.632 0.000 -1.334) 2.107 8.652 ( 0.404 0.000 1.934) 1.976 9.056 ( -2.193 0.000 -0.021) 2.193 9.300 ( -1.342 0.000 2.684) 3.001 9.319 ( 0.715 0.000 0.331) 0.788 9.501 ( 6.155 0.000 1.255) 6.282 9.840 ( 4.067 0.000 -3.035) 5.075 9.886 ( -0.829 0.000 6.416) 6.469 9.936 ( -2.889 0.000 4.329) 5.204 10.043 ( -6.483 0.000 -7.733) 10.091 10.144 ( -2.289 0.000 -1.596) 2.790 10.186 ( 3.293 0.000 9.786) 10.325 10.261 ( -6.581 0.000 -1.597) 6.772 10.343 ( -1.811 0.000 -7.709) 7.919 11.136 ( -0.077 0.000 1.187) 1.189 11.402 ( 0.086 0.000 0.517) 0.524 11.434 ( -0.478 0.000 -2.337) 2.386 11.827 ( 0.146 0.000 0.480) 0.502 11.985 ( 2.864 0.000 2.552) 3.836 12.202 ( -0.384 0.000 0.096) 0.396 12.254 ( -3.366 0.000 -1.987) 3.909 12.324 ( 5.753 0.000 15.102) 16.161 12.532 ( -2.806 0.000 -14.704) 14.970 12.961 ( 0.046 0.000 1.867) 1.868 13.046 ( 4.330 0.000 3.635) 5.653 13.257 ( -4.116 0.000 -3.801) 5.603 13.592 ( -0.540 0.000 -2.026) 2.097 13.819 ( 3.614 0.000 -0.826) 3.708 14.133 ( 7.372 0.000 -0.635) 7.399 14.206 ( 0.559 0.000 0.582) 0.807 14.267 ( 3.293 0.000 -0.813) 3.392 14.689 ( -1.052 0.000 -2.068) 2.320 14.845 ( 4.953 0.000 -0.085) 4.953 15.207 ( -1.636 0.000 0.283) 1.661 15.324 ( -0.184 0.000 0.614) 0.641 15.415 ( -0.398 0.000 -0.184) 0.439 15.572 ( -0.255 0.000 0.331) 0.418 15.626 ( 4.175 0.000 2.318) 4.775 15.867 ( 3.137 0.000 1.379) 3.427 16.118 ( 1.456 0.000 1.035) 1.786 16.164 ( -3.166 0.000 0.224) 3.174 16.510 ( 2.373 0.000 -0.239) 2.385 16.963 ( 1.988 0.000 7.874) 8.121 17.016 ( 0.466 0.000 0.773) 0.902 17.143 ( -6.477 0.000 -13.769) 15.216 17.761 ( 3.195 0.000 -0.229) 3.203 20.261 ( -3.078 0.000 -0.521) 3.121 20.278 ( -0.097 0.000 1.001) 1.005 20.528 ( -1.229 0.000 -0.533) 1.339 20.633 ( -5.456 0.000 -1.156) 5.577 25.400 ( 0.807 0.000 0.848) 1.171 25.424 ( 0.253 0.000 -0.844) 0.881 25.445 ( -0.268 0.000 0.183) 0.324 25.585 ( 0.031 0.000 -1.357) 1.358 26.058 ( -1.370 0.000 -0.466) 1.447 26.140 ( 5.932 0.000 2.556) 6.460 26.308 ( -9.590 0.000 -2.102) 9.817 26.495 ( -1.393 0.000 0.349) 1.436 26.913 ( -0.221 0.000 -0.648) 0.685 27.232 ( 1.329 0.000 -2.368) 2.715 27.271 ( 1.128 0.000 -1.639) 1.990 27.632 ( 3.902 0.000 0.069) 3.903 27.815 ( 0.256 0.000 0.457) 0.524 27.975 ( 0.295 0.000 -0.466) 0.551 28.111 ( 0.868 0.000 3.081) 3.201 28.160 ( 0.454 0.000 -2.785) 2.822 28.613 ( 6.504 0.000 2.073) 6.826 28.692 ( 0.783 0.000 2.534) 2.652 28.896 ( 4.700 0.000 -0.851) 4.777 29.157 ( -2.741 0.000 0.436) 2.776 29.158 ( -4.845 0.000 0.756) 4.903 29.732 ( 1.283 0.000 -1.516) 1.986 29.748 ( 5.657 0.000 -0.943) 5.735 29.925 ( -3.859 0.000 0.766) 3.935 30.854 ( -4.012 0.000 8.128) 9.064 31.535 ( -3.407 0.000 -1.529) 3.734 31.868 ( 1.303 0.000 -4.327) 4.519 32.288 ( -3.321 0.000 2.683) 4.269 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.000 32.374 0.000) 32.374 0.874 ( 0.000 40.415 0.000) 40.415 1.062 ( 0.000 48.484 0.000) 48.484 2.200 ( 0.000 -3.009 0.000) 3.009 2.271 ( 0.000 -8.365 0.000) 8.365 2.333 ( 0.000 -8.931 0.000) 8.931 2.440 ( 0.000 7.615 0.000) 7.615 2.454 ( 0.000 3.148 0.000) 3.148 2.590 ( 0.000 -1.747 0.000) 1.747 2.709 ( 0.000 0.118 0.000) 0.118 2.886 ( 0.000 5.683 0.000) 5.683 2.930 ( 0.000 -3.481 0.000) 3.481 3.037 ( 0.000 4.056 0.000) 4.056 3.449 ( 0.000 8.880 0.000) 8.880 3.520 ( 0.000 7.166 0.000) 7.166 3.623 ( 0.000 4.214 0.000) 4.214 3.670 ( 0.000 0.550 0.000) 0.550 3.840 ( 0.000 -4.497 0.000) 4.497 4.035 ( 0.000 -2.651 0.000) 2.651 4.101 ( 0.000 -3.831 0.000) 3.831 4.208 ( 0.000 -4.564 0.000) 4.564 4.350 ( 0.000 -4.791 0.000) 4.791 4.449 ( 0.000 -1.312 0.000) 1.312 4.624 ( 0.000 0.692 0.000) 0.692 4.633 ( 0.000 -9.590 0.000) 9.590 4.839 ( 0.000 2.437 0.000) 2.437 4.841 ( 0.000 -7.375 0.000) 7.375 5.000 ( 0.000 10.002 0.000) 10.002 5.023 ( 0.000 2.318 0.000) 2.318 5.180 ( 0.000 2.583 0.000) 2.583 5.481 ( 0.000 3.270 0.000) 3.270 5.490 ( 0.000 1.151 0.000) 1.151 5.754 ( 0.000 -1.829 0.000) 1.829 5.837 ( 0.000 -2.182 0.000) 2.182 5.996 ( 0.000 -1.358 0.000) 1.358 6.232 ( 0.000 0.295 0.000) 0.295 6.280 ( 0.000 -5.353 0.000) 5.353 6.387 ( 0.000 3.944 0.000) 3.944 6.449 ( 0.000 2.992 0.000) 2.992 6.488 ( 0.000 -5.450 0.000) 5.450 6.626 ( 0.000 -3.880 0.000) 3.880 6.793 ( 0.000 2.864 0.000) 2.864 6.919 ( 0.000 -0.222 0.000) 0.222 7.001 ( 0.000 3.772 0.000) 3.772 7.042 ( 0.000 -3.827 0.000) 3.827 7.434 ( 0.000 -4.671 0.000) 4.671 7.489 ( 0.000 2.364 0.000) 2.364 7.635 ( 0.000 -2.077 0.000) 2.077 7.676 ( 0.000 6.721 0.000) 6.721 7.931 ( 0.000 -3.383 0.000) 3.383 8.022 ( 0.000 -7.314 0.000) 7.314 8.125 ( 0.000 -3.077 0.000) 3.077 8.275 ( 0.000 -6.528 0.000) 6.528 8.310 ( 0.000 0.579 0.000) 0.579 8.478 ( 0.000 5.851 0.000) 5.851 8.721 ( 0.000 -4.475 0.000) 4.475 9.117 ( 0.000 -4.971 0.000) 4.971 9.121 ( 0.000 -4.008 0.000) 4.008 9.459 ( 0.000 1.286 0.000) 1.286 9.471 ( 0.000 -1.925 0.000) 1.925 9.549 ( 0.000 2.979 0.000) 2.979 9.729 ( 0.000 3.221 0.000) 3.221 10.109 ( 0.000 -0.385 0.000) 0.385 10.238 ( 0.000 -2.510 0.000) 2.510 10.369 ( 0.000 0.250 0.000) 0.250 10.489 ( 0.000 3.561 0.000) 3.561 10.641 ( 0.000 -1.733 0.000) 1.733 10.766 ( 0.000 0.335 0.000) 0.335 11.343 ( 0.000 -1.902 0.000) 1.902 11.599 ( 0.000 1.843 0.000) 1.843 11.609 ( 0.000 -6.176 0.000) 6.176 11.752 ( 0.000 1.174 0.000) 1.174 11.802 ( 0.000 2.420 0.000) 2.420 12.365 ( 0.000 -5.029 0.000) 5.029 12.425 ( 0.000 5.810 0.000) 5.810 12.514 ( 0.000 0.590 0.000) 0.590 12.518 ( 0.000 2.419 0.000) 2.419 12.760 ( 0.000 -2.038 0.000) 2.038 12.998 ( 0.000 1.166 0.000) 1.166 13.304 ( 0.000 0.184 0.000) 0.184 13.368 ( 0.000 2.468 0.000) 2.468 13.578 ( 0.000 -2.405 0.000) 2.405 13.578 ( 0.000 0.711 0.000) 0.711 13.722 ( 0.000 -1.159 0.000) 1.159 14.186 ( 0.000 -3.494 0.000) 3.494 14.410 ( 0.000 3.075 0.000) 3.075 14.550 ( 0.000 -8.921 0.000) 8.921 14.659 ( 0.000 0.581 0.000) 0.581 15.312 ( 0.000 0.092 0.000) 0.092 15.378 ( 0.000 2.153 0.000) 2.153 15.559 ( 0.000 4.711 0.000) 4.711 15.594 ( 0.000 1.797 0.000) 1.797 15.996 ( 0.000 -0.417 0.000) 0.417 16.034 ( 0.000 -2.938 0.000) 2.938 16.275 ( 0.000 -2.924 0.000) 2.924 16.294 ( 0.000 0.810 0.000) 0.810 16.752 ( 0.000 5.365 0.000) 5.365 17.040 ( 0.000 8.343 0.000) 8.343 17.155 ( 0.000 0.177 0.000) 0.177 17.567 ( 0.000 -2.448 0.000) 2.448 20.575 ( 0.000 1.587 0.000) 1.587 20.605 ( 0.000 -0.272 0.000) 0.272 20.668 ( 0.000 2.024 0.000) 2.024 21.009 ( 0.000 -4.481 0.000) 4.481 25.314 ( 0.000 1.095 0.000) 1.095 25.414 ( 0.000 1.426 0.000) 1.426 25.468 ( 0.000 -1.440 0.000) 1.440 25.500 ( 0.000 0.025 0.000) 0.025 26.160 ( 0.000 -1.762 0.000) 1.762 26.555 ( 0.000 -7.729 0.000) 7.729 26.805 ( 0.000 -1.774 0.000) 1.774 26.880 ( 0.000 -2.639 0.000) 2.639 27.168 ( 0.000 4.291 0.000) 4.291 27.207 ( 0.000 4.007 0.000) 4.007 27.519 ( 0.000 5.264 0.000) 5.264 27.725 ( 0.000 -0.272 0.000) 0.272 27.801 ( 0.000 1.333 0.000) 1.333 27.804 ( 0.000 1.311 0.000) 1.311 28.007 ( 0.000 1.542 0.000) 1.542 28.050 ( 0.000 0.823 0.000) 0.823 28.187 ( 0.000 -1.909 0.000) 1.909 28.233 ( 0.000 2.367 0.000) 2.367 28.569 ( 0.000 7.339 0.000) 7.339 29.368 ( 0.000 -5.456 0.000) 5.456 29.390 ( 0.000 -0.082 0.000) 0.082 29.467 ( 0.000 0.603 0.000) 0.603 29.510 ( 0.000 2.527 0.000) 2.527 29.806 ( 0.000 -11.045 0.000) 11.045 30.409 ( 0.000 14.546 0.000) 14.546 31.507 ( 0.000 -7.068 0.000) 7.068 31.909 ( 0.000 0.846 0.000) 0.846 32.563 ( 0.000 -9.458 0.000) 9.458 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 18.159 25.988 3.526) 31.899 1.170 ( 22.351 29.091 10.183) 38.073 1.607 ( 45.511 28.079 16.036) 55.828 2.098 ( -2.759 2.021 3.081) 4.603 2.327 ( 0.231 -9.105 -2.647) 9.485 2.470 ( 12.169 -2.849 -1.611) 12.601 2.497 ( 1.161 1.672 4.537) 4.972 2.576 ( -3.825 0.863 -1.396) 4.162 2.687 ( 20.469 -0.053 -1.048) 20.496 2.817 ( 7.690 2.103 -1.354) 8.087 2.883 ( 4.620 0.669 5.335) 7.089 2.965 ( 14.146 2.059 -7.026) 15.929 3.204 ( 10.355 -0.154 2.078) 10.562 3.333 ( -7.588 8.924 -1.273) 11.783 3.457 ( -0.803 12.075 -2.450) 12.347 3.615 ( -1.737 1.160 5.108) 5.519 3.666 ( -1.949 1.977 3.797) 4.704 3.843 ( 3.840 -4.165 -6.970) 8.982 4.068 ( 0.747 1.677 -2.282) 2.929 4.112 ( 2.242 -9.060 -2.821) 9.750 4.236 ( -4.910 -6.158 -1.863) 8.094 4.300 ( -0.609 -3.927 3.711) 5.437 4.465 ( 1.645 0.010 1.598) 2.293 4.578 ( -3.177 -3.064 3.492) 5.628 4.631 ( -1.900 0.302 -1.717) 2.579 4.760 ( -4.255 1.190 1.097) 4.552 4.822 ( -0.209 -5.981 -4.790) 7.665 4.943 ( -0.332 2.480 -1.775) 3.068 5.161 ( 2.966 5.925 -1.310) 6.755 5.296 ( 9.921 0.633 1.003) 9.992 5.347 ( -1.584 5.013 0.128) 5.259 5.576 ( 4.980 -0.968 -4.149) 6.554 5.680 ( -2.145 -2.941 -1.677) 4.008 5.877 ( 3.744 1.426 -4.377) 5.934 6.009 ( -2.597 0.222 4.843) 5.500 6.197 ( -1.954 -1.965 -0.199) 2.779 6.286 ( -0.400 -2.509 -8.829) 9.187 6.391 ( -1.004 1.837 -0.404) 2.132 6.433 ( 0.096 0.337 5.200) 5.212 6.473 ( -0.327 0.314 3.861) 3.888 6.549 ( -1.789 3.878 0.227) 4.277 6.721 ( -5.213 3.211 -1.209) 6.241 6.875 ( -4.250 -2.611 3.260) 5.958 6.951 ( -4.541 -3.009 -3.531) 6.492 7.124 ( 0.872 0.028 -6.217) 6.278 7.369 ( -6.053 -3.312 -3.724) 7.841 7.484 ( -10.056 2.462 0.130) 10.353 7.625 ( 8.788 -4.580 -2.861) 10.314 7.779 ( 2.982 -2.570 -2.169) 4.495 7.876 ( 1.308 -2.636 -5.694) 6.409 8.048 ( 3.009 -6.311 -0.223) 6.995 8.135 ( -3.860 -3.579 -4.094) 6.668 8.274 ( -0.006 -5.088 7.037) 8.683 8.318 ( -0.274 -0.252 9.945) 9.952 8.571 ( -2.119 -2.560 9.818) 10.365 8.611 ( -11.499 -1.361 2.816) 11.917 9.093 ( -0.452 -6.546 5.772) 8.738 9.133 ( -2.764 -3.007 0.639) 4.135 9.383 ( -0.151 2.775 -2.555) 3.776 9.500 ( 2.767 -4.801 -1.399) 5.715 9.657 ( 6.073 2.796 3.430) 7.515 9.780 ( -0.338 0.725 -2.704) 2.820 9.996 ( -10.581 8.334 -3.115) 13.824 10.137 ( -7.534 3.659 6.346) 10.508 10.270 ( -5.679 -2.640 3.090) 6.983 10.479 ( -1.545 3.049 1.054) 3.577 10.560 ( -8.076 -1.125 -1.526) 8.296 10.662 ( -9.354 4.181 2.098) 10.458 11.259 ( -10.079 4.212 3.491) 11.468 11.448 ( -6.533 4.912 -9.437) 12.484 11.561 ( -1.215 1.025 -4.745) 5.004 11.701 ( 3.759 -6.178 6.025) 9.413 11.792 ( 2.608 1.726 1.604) 3.514 12.012 ( -2.307 10.972 2.114) 11.410 12.293 ( -6.801 -0.054 1.066) 6.884 12.555 ( -4.123 -2.889 -3.544) 6.156 12.651 ( 1.573 1.742 -5.712) 6.176 12.819 ( 3.096 -3.522 2.118) 5.146 12.970 ( -2.562 0.119 0.536) 2.620 13.313 ( -0.047 -4.532 -0.487) 4.559 13.590 ( 8.520 -3.984 -5.204) 10.749 13.655 ( 7.922 2.614 -2.312) 8.657 13.744 ( 4.398 0.349 -1.385) 4.624 13.909 ( 21.251 -7.098 -4.395) 22.832 14.201 ( 0.025 1.717 0.775) 1.884 14.415 ( 9.237 -3.449 1.702) 10.006 14.676 ( 4.480 -1.144 -3.968) 6.093 14.866 ( 15.225 -14.083 5.770) 21.527 15.303 ( -1.225 0.031 0.900) 1.521 15.376 ( -0.400 2.487 1.108) 2.752 15.500 ( -1.588 3.535 -1.647) 4.211 15.643 ( 0.690 3.443 2.647) 4.397 15.898 ( -4.457 4.309 -0.712) 6.240 16.056 ( -2.113 -2.269 1.753) 3.562 16.192 ( 5.546 1.817 -1.215) 5.961 16.416 ( -0.551 5.047 2.836) 5.815 16.916 ( 3.432 -6.431 3.963) 8.297 17.098 ( -2.984 0.813 0.595) 3.149 17.200 ( 15.531 -2.943 -12.022) 19.859 17.620 ( 5.876 -1.469 -1.040) 6.145 20.461 ( -10.168 6.156 -0.333) 11.891 20.526 ( -5.949 2.990 -3.120) 7.353 20.611 ( -2.403 -0.699 0.478) 2.548 20.942 ( -7.021 -4.008 -0.172) 8.087 25.327 ( 0.967 0.577 0.771) 1.364 25.420 ( 0.668 1.187 -0.366) 1.410 25.467 ( -0.709 -1.642 -0.090) 1.790 25.505 ( 0.688 -1.986 0.380) 2.136 26.136 ( -2.077 -0.534 0.021) 2.145 26.503 ( -10.397 3.685 -7.560) 13.373 26.585 ( -11.482 9.804 5.586) 16.098 26.784 ( -9.626 -0.226 -0.121) 9.629 27.083 ( -1.763 8.850 -20.066) 22.002 27.172 ( 1.686 2.945 -4.473) 5.614 27.274 ( 1.539 3.520 -8.233) 9.085 27.477 ( -0.007 3.665 -8.635) 9.381 27.786 ( 2.522 2.668 -0.067) 3.672 27.937 ( 5.200 -0.051 4.028) 6.577 28.019 ( 3.566 2.632 0.071) 4.433 28.066 ( 2.896 0.172 0.809) 3.012 28.220 ( 4.899 2.705 17.108) 18.000 28.576 ( 1.539 6.106 2.790) 6.887 28.677 ( 8.275 -2.944 -0.838) 8.823 29.348 ( -3.330 0.460 -0.864) 3.471 29.395 ( -4.394 2.110 1.952) 5.251 29.533 ( 5.197 -1.541 -0.139) 5.422 29.625 ( 5.003 -1.569 1.082) 5.353 29.893 ( 2.975 -13.558 3.982) 14.440 30.669 ( 1.065 -6.746 38.314) 38.918 31.554 ( 9.749 -14.834 -14.762) 23.087 31.831 ( -6.041 0.470 -4.097) 7.315 32.456 ( -9.288 -5.511 2.186) 11.019 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 18.956 9.616 7.064) 22.399 1.644 ( 18.104 17.338 11.274) 27.486 2.123 ( 1.635 3.383 8.420) 9.220 2.277 ( -0.574 -6.318 -2.659) 6.879 2.426 ( 3.270 11.459 1.165) 11.973 2.475 ( 14.126 5.444 -1.136) 15.181 2.520 ( 1.327 2.418 -0.930) 2.910 2.775 ( 6.273 2.467 -1.985) 7.027 2.823 ( 10.647 4.552 7.364) 13.723 3.028 ( 14.311 -6.049 1.369) 15.597 3.108 ( 11.382 1.050 -0.308) 11.434 3.182 ( 7.630 7.559 0.436) 10.749 3.319 ( 8.123 5.290 -2.147) 9.928 3.436 ( 6.881 3.225 3.243) 8.262 3.488 ( 9.592 4.164 -1.236) 10.530 3.612 ( -2.333 0.546 -2.991) 3.833 3.744 ( 8.329 -2.314 4.870) 9.922 3.834 ( 1.972 -2.694 -4.651) 5.725 4.007 ( -4.677 0.594 -2.485) 5.329 4.069 ( -2.113 -4.288 -2.590) 5.437 4.178 ( 2.790 -1.420 2.462) 3.983 4.385 ( 4.700 -1.691 1.902) 5.345 4.492 ( 0.244 0.523 -1.310) 1.431 4.541 ( -4.485 0.317 -2.077) 4.953 4.607 ( 1.228 1.905 5.200) 5.672 4.699 ( -3.398 3.379 -1.109) 4.919 4.797 ( -1.290 -6.124 -0.678) 6.295 4.959 ( -4.093 -0.360 -1.808) 4.489 5.007 ( 2.394 1.690 -5.496) 6.228 5.468 ( 5.617 -2.446 -5.969) 8.554 5.528 ( 13.668 4.183 -0.098) 14.294 5.595 ( 2.964 -9.406 2.189) 10.102 5.749 ( 3.243 -3.894 0.728) 5.120 5.878 ( 3.477 1.573 -4.876) 6.192 5.967 ( -3.407 2.386 0.231) 4.166 6.142 ( -6.208 -0.846 -6.303) 8.887 6.190 ( -0.589 1.995 -0.164) 2.087 6.377 ( -0.197 0.144 -1.188) 1.212 6.458 ( -5.245 0.867 1.423) 5.504 6.476 ( -5.451 -2.088 -0.171) 5.839 6.557 ( 3.318 2.158 8.481) 9.360 6.646 ( -5.501 4.043 2.152) 7.158 6.741 ( -8.459 -2.242 2.052) 8.988 6.876 ( 2.741 -1.669 0.161) 3.213 7.076 ( -1.938 2.793 -5.937) 6.841 7.173 ( -10.645 -4.064 -3.987) 12.071 7.301 ( -9.747 4.542 2.295) 10.995 7.701 ( 1.719 -2.899 -1.508) 3.692 7.774 ( -0.146 -0.365 1.219) 1.281 7.847 ( -0.793 0.178 -10.537) 10.569 8.064 ( -1.989 -5.489 -0.973) 5.919 8.077 ( -0.495 -6.896 -0.129) 6.915 8.191 ( -6.161 -0.184 1.810) 6.424 8.361 ( -14.887 -2.218 7.368) 16.758 8.485 ( -0.115 -2.836 4.105) 4.991 8.559 ( 3.219 -0.409 2.287) 3.970 9.027 ( -5.818 -5.852 0.657) 8.278 9.201 ( 1.241 -7.762 7.659) 10.975 9.383 ( 1.113 4.421 -1.885) 4.933 9.506 ( -2.195 1.711 -4.667) 5.434 9.672 ( 2.049 -2.452 2.431) 4.015 9.774 ( 4.068 0.413 0.896) 4.186 9.957 ( -1.975 0.542 3.630) 4.168 10.105 ( 0.562 1.771 0.286) 1.880 10.190 ( -5.588 -0.482 2.860) 6.296 10.344 ( -10.584 1.566 -3.959) 11.408 10.435 ( -6.783 1.057 1.241) 6.976 10.516 ( -4.408 5.330 -2.357) 7.307 11.163 ( -2.836 2.180 1.068) 3.733 11.363 ( -1.649 -2.267 -1.552) 3.204 11.522 ( -0.066 2.536 -3.669) 4.461 11.797 ( 2.378 -2.864 2.556) 4.515 11.869 ( 3.686 0.083 2.839) 4.653 12.069 ( 3.845 -0.199 6.830) 7.840 12.239 ( -1.237 1.865 3.186) 3.894 12.387 ( -7.789 0.221 -1.688) 7.973 12.632 ( 1.164 -0.830 -13.175) 13.253 12.880 ( 0.768 -4.574 4.451) 6.429 12.948 ( 0.337 -0.357 1.562) 1.637 13.273 ( -3.145 -6.874 -2.194) 7.871 13.635 ( 1.365 0.467 -4.400) 4.631 13.766 ( 6.586 3.017 -2.639) 7.710 13.935 ( 14.416 0.361 0.086) 14.421 14.132 ( 7.588 -0.581 -0.258) 7.615 14.228 ( 2.905 2.076 -2.137) 4.161 14.641 ( 9.524 -3.684 0.870) 10.248 14.723 ( 5.648 -1.311 -5.539) 8.019 15.129 ( 9.917 -10.892 3.051) 15.043 15.289 ( -1.199 -0.568 1.556) 2.045 15.387 ( 0.919 -0.601 1.363) 1.750 15.477 ( -0.969 4.088 0.605) 4.244 15.654 ( -1.016 2.942 1.333) 3.386 15.859 ( -0.479 4.402 1.365) 4.634 16.025 ( -1.910 -1.082 0.386) 2.229 16.323 ( 7.230 0.316 0.019) 7.237 16.407 ( -1.198 4.490 3.399) 5.757 16.910 ( -6.297 -4.730 1.869) 8.094 17.034 ( -2.027 0.476 -0.424) 2.124 17.333 ( 8.212 3.243 -10.892) 14.021 17.735 ( 6.867 2.818 -1.189) 7.517 20.315 ( -6.048 2.391 1.591) 6.695 20.381 ( -7.346 1.410 -1.578) 7.644 20.562 ( -2.466 -0.590 -0.597) 2.605 20.778 ( -9.312 -2.444 -0.949) 9.674 25.351 ( 0.765 -1.023 0.888) 1.556 25.424 ( -0.005 -0.910 -0.905) 1.284 25.447 ( -0.828 -0.051 -0.186) 0.850 25.525 ( 1.061 -3.475 -0.000) 3.633 26.110 ( -0.876 1.921 1.242) 2.449 26.272 ( -5.424 12.521 -3.842) 14.176 26.538 ( -3.147 1.047 0.348) 3.335 26.579 ( -9.827 3.301 0.162) 10.368 26.987 ( -1.018 5.443 -4.743) 7.291 27.176 ( 2.939 -1.815 -6.621) 7.468 27.271 ( 2.058 0.581 -4.731) 5.192 27.508 ( 5.485 -1.478 -1.401) 5.851 27.830 ( 2.203 3.125 0.075) 3.824 27.976 ( 0.974 0.495 -1.171) 1.602 28.095 ( 2.524 2.260 1.538) 3.721 28.148 ( 3.229 0.315 0.860) 3.356 28.477 ( 10.197 6.319 9.250) 15.148 28.664 ( 3.246 4.640 6.730) 8.795 28.778 ( 7.797 -0.355 -5.256) 9.410 29.257 ( -5.534 1.500 -0.204) 5.737 29.315 ( -5.829 4.187 1.823) 7.405 29.630 ( 5.599 -2.189 -0.896) 6.079 29.685 ( 3.268 -0.193 -1.786) 3.729 29.923 ( -1.464 -6.893 1.816) 7.277 30.833 ( -6.305 -2.830 24.279) 25.243 31.592 ( 0.913 -14.251 -6.111) 15.533 31.683 ( -2.109 -5.407 -8.873) 10.603 32.311 ( -8.707 -6.163 4.237) 11.478 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 9.044 -1.216 4.174) 10.035 1.895 ( 3.491 1.809 2.679) 4.758 2.183 ( -0.961 -8.761 3.268) 9.399 2.277 ( 0.817 3.286 -1.111) 3.564 2.406 ( 3.551 7.281 3.399) 8.785 2.564 ( 3.857 14.220 -0.926) 14.763 2.631 ( 0.014 5.965 -2.711) 6.552 2.719 ( -2.074 8.559 -2.335) 9.111 2.933 ( -0.580 -4.138 1.740) 4.526 3.181 ( 1.376 -1.771 -0.344) 2.270 3.281 ( 3.148 3.749 1.863) 5.237 3.319 ( 3.186 9.921 2.528) 10.723 3.459 ( 5.114 -0.348 -0.722) 5.176 3.502 ( -1.427 5.337 -2.985) 6.279 3.606 ( 3.068 -2.895 0.787) 4.291 3.703 ( 2.661 -2.672 -3.531) 5.166 3.743 ( 2.513 3.774 1.917) 4.922 3.964 ( 8.016 -0.311 2.496) 8.401 3.998 ( -0.073 -2.102 5.358) 5.756 4.146 ( 13.865 6.545 -5.980) 16.457 4.264 ( 3.358 -0.387 -0.599) 3.433 4.388 ( -4.664 0.691 2.076) 5.152 4.424 ( -6.798 -0.942 -2.968) 7.477 4.581 ( 3.124 -4.042 -0.012) 5.108 4.605 ( 0.061 0.021 1.455) 1.457 4.644 ( 2.000 5.171 0.858) 5.610 4.749 ( -2.572 0.374 1.651) 3.079 4.930 ( 2.468 -1.341 -1.643) 3.254 5.216 ( 17.021 0.273 -1.102) 17.059 5.374 ( -4.297 -3.381 -4.847) 7.306 5.622 ( -17.699 -1.234 -3.620) 18.108 5.701 ( 2.775 -8.549 1.731) 9.153 5.747 ( -0.131 -1.460 2.728) 3.097 5.810 ( 5.148 0.788 -5.665) 7.696 6.005 ( -1.699 -0.332 0.024) 1.731 6.101 ( 11.742 -2.378 1.941) 12.137 6.176 ( -2.684 -0.879 -3.874) 4.794 6.300 ( -5.106 1.444 1.107) 5.421 6.374 ( 0.261 -3.143 1.309) 3.415 6.419 ( -2.758 -2.103 1.095) 3.637 6.519 ( -6.321 0.939 -0.527) 6.412 6.655 ( -2.471 -0.621 0.596) 2.617 6.712 ( 4.367 3.855 5.315) 7.885 6.874 ( -8.316 -1.926 -2.061) 8.782 7.009 ( -0.258 3.060 -1.467) 3.403 7.039 ( -0.489 0.881 0.764) 1.265 7.223 ( 0.340 6.889 3.814) 7.881 7.670 ( -5.493 -1.499 -6.389) 8.558 7.713 ( -0.772 -1.367 -0.492) 1.645 7.813 ( 1.522 3.532 -0.438) 3.871 8.019 ( -2.836 -1.467 1.378) 3.477 8.054 ( -0.838 -10.835 -0.904) 10.905 8.083 ( -4.178 1.006 0.311) 4.308 8.254 ( -1.995 -4.335 1.945) 5.153 8.449 ( -0.967 0.166 -0.064) 0.983 8.678 ( 3.097 0.918 2.045) 3.823 8.951 ( -2.182 -7.424 -0.033) 7.738 9.188 ( -3.626 -9.514 1.785) 10.337 9.390 ( 0.521 4.620 -0.763) 4.711 9.534 ( 5.248 1.246 -0.994) 5.485 9.773 ( 3.115 -5.705 6.806) 9.411 9.842 ( 3.353 -0.045 -0.770) 3.441 9.913 ( -2.039 -4.162 -3.832) 6.013 10.022 ( -9.726 2.145 -1.574) 10.083 10.115 ( -0.153 -0.122 -0.223) 0.297 10.264 ( -0.997 2.796 2.331) 3.774 10.304 ( -4.116 5.239 1.524) 6.834 10.452 ( -1.207 5.798 -3.605) 6.933 11.139 ( -0.735 -0.033 0.572) 0.932 11.339 ( -0.571 -4.500 0.092) 4.537 11.501 ( -0.135 4.616 -1.359) 4.814 11.828 ( 0.353 -0.309 0.543) 0.718 11.955 ( 2.668 -1.635 2.235) 3.845 12.166 ( 1.976 -5.639 -0.870) 6.039 12.247 ( -2.894 2.882 2.979) 5.055 12.337 ( 2.697 0.629 9.198) 9.606 12.508 ( -3.086 -1.916 -13.671) 14.146 12.909 ( 0.044 -5.180 1.819) 5.491 13.005 ( 3.125 -3.069 2.053) 4.837 13.182 ( -3.809 -5.951 -2.418) 7.468 13.621 ( 0.003 2.866 -1.443) 3.208 13.853 ( 3.282 2.396 -0.735) 4.130 14.160 ( 6.709 -0.301 1.849) 6.966 14.232 ( 2.228 2.066 0.563) 3.090 14.252 ( 2.839 1.900 -2.942) 4.508 14.672 ( -0.797 -1.700 -2.145) 2.850 14.855 ( 6.061 -0.753 -0.651) 6.142 15.233 ( 0.484 -1.320 0.394) 1.460 15.279 ( -0.467 -1.881 0.385) 1.976 15.440 ( 0.521 -4.602 1.802) 4.969 15.496 ( 4.507 0.037 1.432) 4.729 15.617 ( -3.299 0.150 -0.818) 3.403 15.873 ( 0.164 1.670 1.048) 1.979 15.997 ( -0.934 0.470 -0.084) 1.049 16.387 ( 0.409 8.640 2.296) 8.949 16.485 ( 5.620 -3.106 -0.675) 6.457 16.776 ( -6.874 -7.306 1.030) 10.084 17.004 ( -0.795 -2.332 -1.195) 2.738 17.373 ( 2.509 14.517 -3.883) 15.235 17.835 ( 3.636 5.254 -0.156) 6.392 20.248 ( -2.568 -0.926 0.405) 2.760 20.270 ( -2.978 -0.824 0.055) 3.091 20.530 ( -0.363 0.317 -0.224) 0.531 20.629 ( -5.028 -0.573 -0.870) 5.135 25.363 ( 0.082 -2.574 0.279) 2.590 25.411 ( -0.443 -2.983 -0.331) 3.033 25.440 ( 0.042 0.916 -0.193) 0.937 25.540 ( 0.558 -2.868 -0.135) 2.925 26.105 ( -0.709 4.393 0.415) 4.469 26.241 ( 2.651 6.361 1.113) 6.980 26.371 ( -7.558 5.716 -3.142) 9.984 26.540 ( -0.763 3.519 1.198) 3.794 26.953 ( -0.485 4.205 -1.080) 4.369 27.181 ( 1.150 -3.518 -2.451) 4.439 27.274 ( 0.808 0.079 -1.707) 1.890 27.590 ( 2.704 -4.485 0.125) 5.239 27.864 ( 1.243 4.590 -0.059) 4.756 27.982 ( 0.277 0.720 -0.412) 0.874 28.144 ( 1.242 2.008 2.419) 3.380 28.172 ( 0.344 1.371 -2.064) 2.501 28.682 ( 6.315 5.932 2.735) 9.086 28.730 ( 0.650 4.119 1.215) 4.343 28.898 ( 4.907 0.152 -0.156) 4.911 29.172 ( -2.900 1.782 0.303) 3.417 29.223 ( -4.117 5.919 0.731) 7.247 29.682 ( 1.109 -4.227 -1.100) 4.506 29.766 ( 5.964 0.647 -0.961) 6.076 29.877 ( -4.396 -4.641 1.235) 6.511 30.858 ( -2.718 0.581 7.459) 7.960 31.509 ( -3.380 -2.080 -0.687) 4.027 31.657 ( 1.845 -17.634 -4.428) 18.275 32.214 ( -3.780 -7.547 1.983) 8.670 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 27.481 0.000) 27.481 1.626 ( 0.000 30.128 0.000) 30.128 1.874 ( 0.000 19.792 0.000) 19.792 2.069 ( 0.000 -4.932 0.000) 4.932 2.128 ( 0.000 -2.326 0.000) 2.326 2.257 ( 0.000 6.209 0.000) 6.209 2.466 ( 0.000 -12.712 0.000) 12.712 2.472 ( 0.000 -0.774 0.000) 0.774 2.642 ( 0.000 6.209 0.000) 6.209 2.778 ( 0.000 16.892 0.000) 16.892 2.903 ( 0.000 -3.741 0.000) 3.741 2.986 ( 0.000 -1.328 0.000) 1.328 3.114 ( 0.000 6.484 0.000) 6.484 3.318 ( 0.000 -15.908 0.000) 15.908 3.696 ( 0.000 2.551 0.000) 2.551 3.707 ( 0.000 2.782 0.000) 2.782 3.774 ( 0.000 2.994 0.000) 2.994 3.913 ( 0.000 -4.910 0.000) 4.910 3.920 ( 0.000 17.973 0.000) 17.973 4.098 ( 0.000 -4.570 0.000) 4.570 4.124 ( 0.000 3.300 0.000) 3.300 4.275 ( 0.000 -2.571 0.000) 2.571 4.327 ( 0.000 -11.269 0.000) 11.269 4.442 ( 0.000 -8.686 0.000) 8.686 4.659 ( 0.000 3.241 0.000) 3.241 4.675 ( 0.000 -5.809 0.000) 5.809 4.910 ( 0.000 3.291 0.000) 3.291 5.013 ( 0.000 -4.330 0.000) 4.330 5.176 ( 0.000 5.270 0.000) 5.270 5.226 ( 0.000 2.953 0.000) 2.953 5.499 ( 0.000 -1.696 0.000) 1.696 5.582 ( 0.000 5.194 0.000) 5.194 5.665 ( 0.000 -4.666 0.000) 4.666 5.823 ( 0.000 3.379 0.000) 3.379 5.947 ( 0.000 -4.498 0.000) 4.498 6.183 ( 0.000 -6.082 0.000) 6.082 6.203 ( 0.000 -0.440 0.000) 0.440 6.379 ( 0.000 -4.823 0.000) 4.823 6.504 ( 0.000 3.670 0.000) 3.670 6.531 ( 0.000 7.507 0.000) 7.507 6.538 ( 0.000 -3.246 0.000) 3.246 6.877 ( 0.000 4.218 0.000) 4.218 6.930 ( 0.000 -6.444 0.000) 6.444 6.955 ( 0.000 4.198 0.000) 4.198 7.056 ( 0.000 0.549 0.000) 0.549 7.296 ( 0.000 -8.330 0.000) 8.330 7.569 ( 0.000 5.714 0.000) 5.714 7.593 ( 0.000 -1.077 0.000) 1.077 7.702 ( 0.000 -6.079 0.000) 6.079 7.875 ( 0.000 2.318 0.000) 2.318 7.968 ( 0.000 -4.299 0.000) 4.299 8.037 ( 0.000 -4.834 0.000) 4.834 8.111 ( 0.000 -3.408 0.000) 3.408 8.292 ( 0.000 -2.987 0.000) 2.987 8.579 ( 0.000 3.339 0.000) 3.339 8.640 ( 0.000 -2.385 0.000) 2.385 9.019 ( 0.000 -3.618 0.000) 3.618 9.032 ( 0.000 -3.791 0.000) 3.791 9.461 ( 0.000 0.476 0.000) 0.476 9.478 ( 0.000 0.382 0.000) 0.382 9.632 ( 0.000 4.655 0.000) 4.655 9.763 ( 0.000 -0.140 0.000) 0.140 10.103 ( 0.000 -0.074 0.000) 0.074 10.172 ( 0.000 -3.466 0.000) 3.466 10.398 ( 0.000 2.822 0.000) 2.822 10.561 ( 0.000 -0.771 0.000) 0.771 10.602 ( 0.000 1.990 0.000) 1.990 10.756 ( 0.000 -1.649 0.000) 1.649 11.320 ( 0.000 0.128 0.000) 0.128 11.472 ( 0.000 -6.516 0.000) 6.516 11.639 ( 0.000 2.154 0.000) 2.154 11.743 ( 0.000 -1.862 0.000) 1.862 11.896 ( 0.000 6.458 0.000) 6.458 12.232 ( 0.000 -7.912 0.000) 7.912 12.527 ( 0.000 1.903 0.000) 1.903 12.558 ( 0.000 1.058 0.000) 1.058 12.582 ( 0.000 7.047 0.000) 7.047 12.743 ( 0.000 0.011 0.000) 0.011 13.032 ( 0.000 2.936 0.000) 2.936 13.268 ( 0.000 -4.245 0.000) 4.245 13.428 ( 0.000 2.989 0.000) 2.989 13.524 ( 0.000 -2.282 0.000) 2.282 13.603 ( 0.000 1.583 0.000) 1.583 13.688 ( 0.000 -2.004 0.000) 2.004 14.117 ( 0.000 -1.926 0.000) 1.926 14.331 ( 0.000 -10.925 0.000) 10.925 14.500 ( 0.000 5.209 0.000) 5.209 14.661 ( 0.000 -1.010 0.000) 1.010 15.335 ( 0.000 1.765 0.000) 1.765 15.395 ( 0.000 -0.563 0.000) 0.563 15.631 ( 0.000 1.522 0.000) 1.522 15.639 ( 0.000 2.295 0.000) 2.295 16.011 ( 0.000 1.351 0.000) 1.351 16.046 ( 0.000 5.094 0.000) 5.094 16.191 ( 0.000 -4.919 0.000) 4.919 16.271 ( 0.000 -3.117 0.000) 3.117 16.895 ( 0.000 7.630 0.000) 7.630 17.136 ( 0.000 -2.514 0.000) 2.514 17.231 ( 0.000 9.084 0.000) 9.084 17.499 ( 0.000 -4.086 0.000) 4.086 20.612 ( 0.000 1.607 0.000) 1.607 20.612 ( 0.000 0.908 0.000) 0.908 20.714 ( 0.000 2.455 0.000) 2.455 20.893 ( 0.000 -6.110 0.000) 6.110 25.346 ( 0.000 1.892 0.000) 1.892 25.432 ( 0.000 -1.981 0.000) 1.981 25.449 ( 0.000 1.718 0.000) 1.718 25.495 ( 0.000 -0.504 0.000) 0.504 26.143 ( 0.000 0.836 0.000) 0.836 26.369 ( 0.000 -9.108 0.000) 9.108 26.787 ( 0.000 -0.076 0.000) 0.076 26.830 ( 0.000 -2.053 0.000) 2.053 27.248 ( 0.000 3.014 0.000) 3.014 27.271 ( 0.000 1.971 0.000) 1.971 27.634 ( 0.000 4.723 0.000) 4.723 27.719 ( 0.000 -0.403 0.000) 0.403 27.826 ( 0.000 1.001 0.000) 1.001 27.833 ( 0.000 1.082 0.000) 1.082 28.043 ( 0.000 1.632 0.000) 1.632 28.069 ( 0.000 0.608 0.000) 0.608 28.186 ( 0.000 2.448 0.000) 2.448 28.280 ( 0.000 1.351 0.000) 1.351 28.745 ( 0.000 9.346 0.000) 9.346 29.194 ( 0.000 -10.987 0.000) 10.987 29.402 ( 0.000 1.257 0.000) 1.257 29.468 ( 0.000 -0.699 0.000) 0.699 29.560 ( 0.000 2.074 0.000) 2.074 29.641 ( 0.000 -4.564 0.000) 4.564 30.720 ( 0.000 15.234 0.000) 15.234 31.307 ( 0.000 -11.852 0.000) 11.852 31.949 ( 0.000 3.594 0.000) 3.594 32.318 ( 0.000 -12.884 0.000) 12.884 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 9.866 26.131 -2.330) 28.029 1.723 ( 17.132 21.008 0.519) 27.113 2.147 ( 6.558 2.785 0.863) 7.177 2.175 ( 10.640 -5.357 -3.617) 12.450 2.210 ( 20.963 18.577 15.742) 32.130 2.275 ( -0.093 -2.888 2.367) 3.735 2.515 ( 7.326 -0.478 1.190) 7.438 2.683 ( 12.943 -9.222 0.735) 15.909 2.721 ( 4.375 7.934 2.550) 9.413 2.816 ( 9.837 8.694 3.782) 13.662 2.866 ( 3.977 0.638 -5.452) 6.779 3.050 ( 4.941 0.584 2.854) 5.736 3.229 ( 11.028 2.992 -3.260) 11.882 3.355 ( 3.616 -7.750 3.954) 9.422 3.634 ( -3.596 2.993 -5.562) 7.268 3.676 ( 0.126 2.352 -2.733) 3.608 3.771 ( -4.123 5.638 -3.377) 7.758 3.799 ( 1.752 2.709 -4.571) 5.595 4.052 ( 4.917 4.979 4.495) 8.317 4.080 ( -2.142 -2.583 0.053) 3.357 4.146 ( 1.009 2.727 -3.700) 4.706 4.264 ( -1.821 0.858 1.859) 2.740 4.346 ( 1.663 -12.556 1.299) 12.732 4.464 ( 1.232 -6.779 3.009) 7.519 4.640 ( -0.595 -4.918 -4.604) 6.763 4.680 ( 1.481 1.910 -0.001) 2.417 4.844 ( -6.090 3.333 2.798) 7.485 4.978 ( -3.390 -0.567 2.590) 4.303 5.147 ( 1.075 -5.013 1.998) 5.503 5.315 ( -2.512 -4.969 -4.771) 7.333 5.469 ( 3.919 6.376 -1.718) 7.679 5.549 ( 2.476 5.951 -5.747) 8.636 5.670 ( -3.435 0.570 1.937) 3.984 5.864 ( 5.272 -1.388 -4.358) 6.979 5.981 ( 1.346 -5.339 2.640) 6.106 6.123 ( -4.892 -4.938 3.907) 7.973 6.219 ( 2.910 -0.675 -5.763) 6.492 6.379 ( 1.469 -2.754 -1.536) 3.479 6.506 ( -0.596 3.375 6.804) 7.618 6.521 ( -0.271 5.844 2.108) 6.218 6.617 ( 2.280 1.929 0.285) 3.000 6.774 ( -9.252 -1.634 0.989) 9.447 6.829 ( -4.125 2.133 2.540) 5.293 6.947 ( -8.560 1.506 -2.545) 9.057 7.092 ( 5.513 -2.197 -4.975) 7.744 7.254 ( -5.524 -7.221 -0.715) 9.120 7.525 ( -6.556 1.246 -1.519) 6.844 7.572 ( 2.357 -0.267 -4.602) 5.178 7.706 ( 0.794 -4.290 0.230) 4.369 7.864 ( -0.966 0.428 8.138) 8.207 7.943 ( -0.851 -5.283 -2.492) 5.902 8.076 ( 0.015 1.511 -4.543) 4.788 8.143 ( 0.856 -6.685 7.992) 10.455 8.288 ( -2.340 -3.972 8.352) 9.539 8.535 ( -5.133 0.395 -2.115) 5.566 8.603 ( -4.042 -0.613 1.379) 4.314 8.996 ( -2.160 -2.912 3.000) 4.706 9.048 ( -1.973 -4.589 2.544) 5.605 9.414 ( 0.684 1.359 -1.723) 2.299 9.478 ( 0.722 0.399 -6.799) 6.848 9.683 ( 3.849 1.592 0.218) 4.171 9.785 ( 2.153 -1.035 -3.826) 4.511 10.065 ( -4.751 1.490 1.794) 5.292 10.147 ( -1.454 -2.371 -3.224) 4.258 10.320 ( -6.357 5.601 2.109) 8.731 10.511 ( -6.011 -2.761 -1.627) 6.812 10.557 ( -4.868 3.763 2.866) 6.788 10.691 ( -6.988 -0.953 2.222) 7.394 11.299 ( -4.751 1.932 3.042) 5.963 11.489 ( -10.735 -3.705 -1.983) 11.528 11.549 ( 0.812 -0.382 -4.026) 4.125 11.596 ( -2.398 -2.549 0.246) 3.509 11.870 ( 0.846 5.873 -0.437) 5.950 12.144 ( -4.106 -2.447 -1.631) 5.050 12.363 ( -6.796 8.438 1.920) 11.004 12.557 ( -3.714 3.600 0.124) 5.174 12.702 ( -0.793 -1.302 -6.720) 6.891 12.727 ( 4.410 -1.119 -0.528) 4.581 12.966 ( -3.632 -0.024 -0.117) 3.634 13.185 ( -3.945 -7.528 -0.393) 8.508 13.567 ( 8.668 1.426 -2.089) 9.029 13.703 ( 5.539 -3.831 2.438) 7.163 13.715 ( 10.972 3.235 -2.769) 11.769 13.826 ( 19.985 -1.690 -4.088) 20.469 14.213 ( 6.393 0.412 2.683) 6.946 14.395 ( 6.541 -1.570 2.941) 7.341 14.584 ( 7.404 -5.439 -1.998) 9.402 14.687 ( 5.328 -3.677 -1.706) 6.695 15.332 ( -0.597 2.436 0.891) 2.662 15.410 ( -0.439 0.072 2.615) 2.653 15.574 ( -1.720 3.309 -0.272) 3.739 15.675 ( -0.440 -0.622 2.791) 2.893 15.970 ( -1.006 3.982 -1.892) 4.522 16.087 ( 0.335 4.754 2.463) 5.365 16.177 ( 3.488 -2.698 -3.285) 5.499 16.386 ( 4.383 -5.914 4.445) 8.599 16.907 ( -0.346 4.983 2.427) 5.553 17.099 ( -3.564 -1.898 -0.371) 4.055 17.299 ( 8.323 8.084 -2.470) 11.863 17.564 ( 7.040 -3.873 0.415) 8.046 20.535 ( -6.897 2.509 -0.628) 7.366 20.599 ( -6.468 -0.166 0.796) 6.519 20.613 ( -5.019 4.106 -1.483) 6.652 20.832 ( -6.141 -6.068 0.113) 8.634 25.345 ( -0.325 1.148 0.244) 1.217 25.410 ( -1.442 -1.781 -0.567) 2.360 25.462 ( 0.441 0.938 0.289) 1.076 25.489 ( -0.570 -0.422 0.297) 0.769 26.147 ( 0.287 2.115 0.955) 2.338 26.376 ( -0.198 -7.742 1.271) 7.848 26.728 ( -7.160 2.263 2.081) 7.793 26.773 ( -6.103 -0.761 0.093) 6.151 27.200 ( -0.310 3.669 -10.424) 11.056 27.269 ( 1.220 1.663 -4.263) 4.735 27.381 ( -9.934 7.278 -13.469) 18.250 27.523 ( -6.289 0.489 -8.506) 10.590 27.843 ( 2.712 2.467 -0.461) 3.695 27.928 ( 4.072 -1.240 1.881) 4.654 28.069 ( 4.248 1.826 -0.783) 4.690 28.081 ( 2.765 0.890 -0.657) 2.978 28.344 ( 10.516 8.690 16.220) 21.194 28.596 ( 11.785 -2.811 4.736) 13.008 28.759 ( 1.777 9.351 0.289) 9.522 29.332 ( 9.426 -12.640 3.260) 16.101 29.382 ( -2.774 -0.148 3.578) 4.530 29.449 ( -2.072 0.102 1.420) 2.514 29.621 ( 6.015 -1.159 0.483) 6.145 29.646 ( 0.530 -4.047 0.015) 4.081 30.754 ( -0.222 10.427 9.391) 14.034 31.282 ( -0.710 -12.925 -4.319) 13.646 31.869 ( -7.264 3.810 -2.153) 8.481 32.249 ( -7.505 -12.356 1.885) 14.579 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 7.693 15.255 -2.443) 17.259 1.957 ( 2.334 10.218 2.447) 10.763 2.131 ( -3.847 -3.416 -5.287) 7.377 2.268 ( 0.044 -5.464 -0.587) 5.495 2.321 ( 10.660 5.697 1.957) 12.244 2.608 ( 5.357 1.978 0.736) 5.758 2.791 ( 3.542 -1.166 9.000) 9.742 2.881 ( 5.024 7.158 7.544) 11.549 2.892 ( 9.766 7.996 -8.661) 15.307 3.012 ( 18.742 5.581 4.001) 19.961 3.050 ( 16.217 1.964 3.995) 16.817 3.300 ( 14.190 -4.858 0.159) 15.000 3.426 ( 11.384 7.484 -2.851) 13.919 3.547 ( 5.684 0.343 0.692) 5.736 3.556 ( 3.818 3.673 -0.291) 5.306 3.663 ( 0.597 10.434 -1.975) 10.636 3.759 ( 13.811 4.095 -2.000) 14.544 3.841 ( 4.023 3.179 -2.349) 5.640 4.003 ( -2.920 -2.621 -2.947) 4.907 4.056 ( -6.079 3.604 -0.092) 7.068 4.165 ( 4.871 -0.380 4.470) 6.622 4.313 ( 3.708 -3.524 -0.291) 5.124 4.383 ( -0.593 -10.100 1.876) 10.289 4.493 ( -0.060 -2.696 0.647) 2.774 4.618 ( 1.530 -6.997 0.353) 7.171 4.703 ( 0.667 3.427 -0.169) 3.495 4.782 ( -3.229 1.959 2.780) 4.689 4.939 ( -3.609 -3.132 -0.094) 4.779 5.085 ( 1.164 5.812 -7.449) 9.520 5.325 ( 2.204 -10.384 5.841) 12.116 5.442 ( -4.902 -2.880 -5.231) 7.726 5.599 ( 3.440 -4.582 -2.569) 6.279 5.670 ( 6.099 4.930 -0.251) 7.846 5.915 ( 5.913 0.776 -5.282) 7.967 5.997 ( -3.850 -0.861 2.661) 4.759 6.092 ( -0.402 -3.932 -2.778) 4.831 6.238 ( -0.352 3.443 -0.809) 3.554 6.379 ( -3.192 -1.026 -1.418) 3.641 6.474 ( -9.959 1.080 2.529) 10.331 6.479 ( -8.478 2.186 -2.862) 9.211 6.597 ( 2.336 1.763 5.455) 6.191 6.704 ( -4.044 -1.765 2.717) 5.182 6.734 ( -4.312 4.389 1.684) 6.379 6.851 ( 1.896 -0.871 3.536) 4.105 7.074 ( -9.864 -3.478 -1.212) 10.529 7.098 ( -0.882 -1.928 -5.021) 5.450 7.412 ( -4.196 5.417 0.970) 6.920 7.603 ( 3.366 -5.728 -3.636) 7.574 7.720 ( -0.181 -2.983 -1.851) 3.516 7.883 ( -3.034 -6.319 -1.987) 7.286 7.901 ( -1.278 2.169 3.311) 4.160 8.046 ( -3.801 0.115 3.547) 5.200 8.152 ( -1.698 -2.251 2.149) 3.545 8.285 ( -9.283 -4.898 5.618) 11.905 8.449 ( -0.519 0.103 2.597) 2.650 8.532 ( -0.198 -2.143 -1.313) 2.521 8.930 ( -6.380 -2.977 0.918) 7.100 9.032 ( -2.098 -7.318 3.599) 8.420 9.447 ( 2.215 1.387 -4.326) 5.055 9.469 ( 4.117 -2.205 -2.991) 5.546 9.692 ( 0.409 3.144 -3.949) 5.064 9.810 ( 3.225 0.570 -1.446) 3.580 9.977 ( -5.809 2.269 1.429) 6.398 10.095 ( -2.238 -2.187 -0.073) 3.130 10.244 ( -4.799 4.089 0.079) 6.305 10.356 ( -6.846 -0.787 -1.301) 7.013 10.484 ( -4.957 3.665 2.231) 6.557 10.583 ( -4.956 0.972 1.091) 5.167 11.194 ( -5.829 1.194 1.144) 6.059 11.305 ( -5.689 -3.455 -2.024) 6.957 11.554 ( 2.740 1.004 -1.240) 3.170 11.699 ( 5.366 -5.680 4.560) 9.047 11.904 ( 2.994 3.626 -0.810) 4.772 12.081 ( -1.587 -1.189 -2.566) 3.243 12.314 ( -1.786 5.935 5.251) 8.124 12.437 ( -7.189 5.442 0.526) 9.032 12.606 ( -2.928 -2.894 -9.694) 10.532 12.767 ( -0.224 -5.783 0.479) 5.808 12.934 ( -0.064 -0.223 0.247) 0.338 13.117 ( -2.749 -7.435 -1.817) 8.133 13.671 ( 3.695 2.812 -1.159) 4.785 13.795 ( 4.546 -1.164 1.418) 4.903 13.957 ( 14.122 3.188 0.038) 14.478 14.125 ( 14.179 -1.432 -1.203) 14.302 14.282 ( 1.410 3.721 -2.553) 4.727 14.583 ( 6.959 -3.390 0.531) 7.759 14.654 ( 7.775 -3.262 -5.609) 10.126 14.875 ( 11.827 -10.715 0.808) 15.979 15.322 ( -1.406 3.201 1.498) 3.804 15.408 ( -1.834 0.617 2.431) 3.107 15.561 ( -0.671 3.296 0.835) 3.466 15.660 ( -2.694 -1.549 0.699) 3.185 15.958 ( 0.148 5.517 0.067) 5.519 16.114 ( 0.733 8.080 2.111) 8.383 16.242 ( 5.254 -6.205 -1.402) 8.250 16.436 ( -1.294 -3.473 3.820) 5.323 16.880 ( -4.680 2.568 1.042) 5.439 17.017 ( -4.007 -1.818 -1.231) 4.569 17.482 ( 12.478 8.941 -2.779) 15.600 17.742 ( 10.707 -2.133 0.329) 10.922 20.365 ( -10.047 2.339 0.927) 10.357 20.410 ( -10.253 0.876 -0.667) 10.312 20.566 ( -1.930 1.273 -0.478) 2.361 20.704 ( -6.756 -4.290 -0.194) 8.006 25.333 ( -1.026 -0.529 0.037) 1.155 25.374 ( -1.848 -2.575 -0.625) 3.231 25.464 ( -0.246 0.895 0.028) 0.928 25.488 ( 0.105 -0.719 0.691) 1.003 26.174 ( 1.225 4.182 2.478) 5.013 26.357 ( -2.477 -2.388 -0.163) 3.444 26.615 ( -4.473 4.043 -0.228) 6.033 26.636 ( -6.969 1.872 -0.484) 7.232 27.124 ( 0.836 5.410 -9.806) 11.230 27.196 ( -3.705 4.432 -5.350) 7.873 27.270 ( 1.798 -0.415 -4.617) 4.973 27.448 ( 1.115 -4.005 -2.536) 4.870 27.901 ( 3.712 3.285 -0.561) 4.989 27.985 ( 2.224 -0.156 -1.149) 2.509 28.135 ( 3.028 1.428 0.063) 3.348 28.157 ( 3.399 0.346 1.622) 3.783 28.646 ( 8.564 7.567 10.755) 15.693 28.756 ( 6.193 0.615 1.251) 6.348 28.830 ( 6.330 10.573 -0.481) 12.332 29.309 ( -4.144 3.451 -0.246) 5.398 29.408 ( -2.979 3.010 1.407) 4.462 29.515 ( 4.724 -10.656 3.729) 12.238 29.655 ( 0.398 -4.256 -0.182) 4.279 29.753 ( 5.659 -4.351 1.633) 7.323 30.830 ( -0.920 3.206 12.172) 12.621 31.237 ( 0.437 -15.811 -5.383) 16.708 31.688 ( -9.025 3.880 -3.376) 10.387 32.104 ( -8.997 -12.569 2.299) 15.627 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 4.605 6.626 0.521) 8.086 1.920 ( -3.547 1.098 -0.782) 3.794 2.023 ( -1.973 -4.902 -4.459) 6.914 2.263 ( -0.161 -6.737 0.105) 6.740 2.524 ( 6.364 7.813 3.574) 10.692 2.699 ( 2.057 1.926 2.718) 3.915 2.811 ( -3.253 3.988 -5.219) 7.329 2.946 ( 4.206 11.066 4.508) 12.668 2.958 ( 1.987 1.155 1.916) 2.992 3.179 ( 5.052 4.609 -0.935) 6.902 3.334 ( -1.880 1.791 -3.517) 4.372 3.408 ( 4.094 -0.874 -1.250) 4.369 3.469 ( 0.207 -4.384 0.281) 4.398 3.620 ( 8.863 10.926 -0.275) 14.071 3.678 ( 3.545 6.452 2.656) 7.826 3.751 ( 0.710 8.669 -2.140) 8.957 3.864 ( 1.277 7.929 -5.150) 9.540 3.940 ( -5.437 1.991 3.160) 6.596 4.034 ( 9.846 2.805 4.749) 11.285 4.190 ( 11.678 -2.794 1.258) 12.073 4.259 ( -1.891 -0.984 -1.066) 2.383 4.344 ( -0.739 -4.993 0.716) 5.097 4.376 ( 10.518 -3.776 -0.578) 11.190 4.475 ( -1.261 -4.176 -1.120) 4.504 4.627 ( -9.101 2.399 1.145) 9.481 4.701 ( 3.013 -0.543 1.327) 3.337 4.801 ( 2.421 1.484 4.318) 5.168 4.936 ( 4.302 2.610 0.237) 5.037 5.245 ( 16.814 2.794 -1.356) 17.099 5.303 ( -2.499 -1.889 -1.765) 3.596 5.388 ( 2.395 -16.389 1.963) 16.679 5.590 ( -4.835 -3.738 -9.355) 11.174 5.757 ( -18.274 2.334 3.114) 18.684 5.816 ( 1.685 -0.951 -0.426) 1.981 5.972 ( -0.040 -1.175 -1.526) 1.926 6.067 ( 7.221 -2.236 -4.959) 9.041 6.134 ( -6.702 -2.654 -0.801) 7.253 6.252 ( -2.844 -6.861 -0.034) 7.427 6.358 ( -4.822 2.547 4.012) 6.770 6.387 ( -3.784 0.250 -0.134) 3.795 6.602 ( -1.692 4.632 -0.299) 4.941 6.666 ( -1.730 1.316 0.914) 2.358 6.785 ( 1.551 2.897 3.404) 4.732 6.846 ( -2.097 -0.688 1.045) 2.442 7.036 ( 2.055 1.260 1.717) 2.959 7.076 ( 2.480 0.743 -0.963) 2.762 7.370 ( -1.053 6.860 1.333) 7.067 7.613 ( -0.522 -4.809 -5.472) 7.304 7.647 ( -3.376 -3.306 -0.649) 4.769 7.805 ( -4.012 -11.141 1.317) 11.914 7.907 ( 1.262 4.385 -0.623) 4.606 8.000 ( -2.446 -0.582 1.817) 3.102 8.109 ( -3.512 1.398 -0.034) 3.780 8.174 ( -2.697 -2.697 1.736) 4.190 8.454 ( 0.322 0.670 1.077) 1.308 8.622 ( 4.975 -6.147 1.178) 7.995 8.845 ( -1.937 -2.011 -0.129) 2.795 8.977 ( -4.996 -8.943 1.190) 10.313 9.455 ( 1.028 1.451 -1.309) 2.208 9.516 ( 2.362 -2.286 -2.117) 3.910 9.737 ( 5.101 2.199 1.861) 5.858 9.848 ( 1.851 -1.393 -4.448) 5.015 9.869 ( -5.831 2.238 0.502) 6.266 10.058 ( -2.788 -2.696 2.325) 4.522 10.135 ( -2.985 4.528 -2.218) 5.859 10.281 ( -2.209 -0.817 0.250) 2.368 10.440 ( -1.248 6.339 2.071) 6.784 10.529 ( -1.279 1.935 -0.860) 2.474 11.130 ( -1.838 -0.537 0.299) 1.938 11.231 ( -1.739 -5.406 -0.123) 5.680 11.600 ( 1.847 4.714 -0.077) 5.064 11.793 ( 1.919 -3.326 1.756) 4.222 11.949 ( 1.344 0.988 -0.072) 1.670 12.056 ( 0.600 -4.283 -1.177) 4.482 12.336 ( -3.431 5.922 1.879) 7.097 12.361 ( 1.316 1.959 6.037) 6.482 12.472 ( -3.214 -1.233 -9.523) 10.126 12.751 ( -1.037 -9.659 0.472) 9.726 12.954 ( 1.329 -1.188 0.356) 1.818 13.060 ( -1.818 -5.251 -1.291) 5.705 13.703 ( 0.710 4.723 -0.092) 4.777 13.873 ( 2.149 -1.346 1.243) 2.824 14.160 ( 6.380 1.889 0.504) 6.672 14.248 ( -1.305 2.149 -0.897) 2.669 14.351 ( 8.414 3.090 -0.412) 8.973 14.602 ( -0.095 -5.870 -3.340) 6.754 14.799 ( 5.905 -1.862 -0.909) 6.258 15.050 ( 5.668 -11.825 0.128) 13.114 15.300 ( -1.503 3.084 0.588) 3.481 15.378 ( -2.578 -0.245 1.608) 3.048 15.563 ( 0.962 2.349 0.391) 2.568 15.604 ( -2.709 -0.665 -0.421) 2.821 15.961 ( -0.119 6.441 0.177) 6.445 16.123 ( -0.535 9.106 0.578) 9.140 16.335 ( 3.518 -8.753 0.116) 9.434 16.453 ( 1.334 -2.759 2.641) 4.045 16.772 ( -5.342 4.944 -0.498) 7.295 16.952 ( -1.845 -2.795 -0.983) 3.490 17.652 ( 6.026 11.753 -1.275) 13.269 17.904 ( 5.316 0.478 0.148) 5.339 20.233 ( -4.117 -0.333 0.727) 4.194 20.250 ( -5.459 -0.928 -0.265) 5.544 20.544 ( -0.139 1.006 -0.084) 1.019 20.606 ( -3.305 -1.557 -0.319) 3.668 25.316 ( -0.588 -1.636 -0.063) 1.740 25.343 ( -0.937 -2.975 -0.299) 3.133 25.459 ( -0.164 0.843 -0.049) 0.860 25.497 ( 0.178 -1.387 0.426) 1.461 26.212 ( 0.598 5.192 1.772) 5.519 26.315 ( -0.970 1.013 -0.505) 1.491 26.512 ( -3.283 6.112 -1.671) 7.136 26.594 ( -0.504 1.196 0.712) 1.480 27.080 ( -0.627 6.566 -2.361) 7.006 27.134 ( -0.222 -0.336 -2.586) 2.617 27.273 ( 0.829 0.222 -1.528) 1.752 27.469 ( 1.300 -6.561 -0.530) 6.710 27.958 ( 2.299 3.662 -0.226) 4.330 28.002 ( 0.432 0.993 -0.508) 1.196 28.174 ( 1.103 1.229 0.081) 1.653 28.201 ( 0.770 0.700 0.253) 1.071 28.776 ( 2.329 3.542 1.410) 4.468 28.861 ( 3.119 1.533 1.299) 3.711 28.964 ( 5.096 11.944 1.231) 13.044 29.241 ( -2.519 4.842 0.238) 5.463 29.364 ( -2.072 5.019 0.654) 5.469 29.587 ( 1.402 -5.944 0.629) 6.139 29.661 ( 0.335 -7.440 0.109) 7.448 29.822 ( 1.366 -1.254 0.438) 1.905 30.878 ( -0.885 1.253 5.107) 5.333 31.232 ( 1.352 -18.959 -1.563) 19.071 31.531 ( -4.546 4.064 -2.240) 6.496 31.988 ( -4.084 -13.373 0.985) 14.017 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 -13.828 0.000) 13.828 1.752 ( 0.000 13.828 0.000) 13.828 2.063 ( 0.000 -16.668 0.000) 16.668 2.063 ( 0.000 16.668 0.000) 16.668 2.167 ( 0.000 -0.171 0.000) 0.171 2.167 ( 0.000 0.171 0.000) 0.171 2.554 ( 0.000 -2.908 0.000) 2.908 2.554 ( 0.000 2.908 0.000) 2.908 2.702 ( 0.000 -8.275 0.000) 8.275 2.702 ( 0.000 8.275 0.000) 8.275 2.983 ( 0.000 -4.547 0.000) 4.547 2.983 ( 0.000 4.547 0.000) 4.547 3.157 ( 0.000 -5.570 0.000) 5.570 3.157 ( 0.000 5.570 0.000) 5.570 3.723 ( 0.000 -0.517 0.000) 0.517 3.723 ( 0.000 0.517 0.000) 0.517 3.848 ( 0.000 -3.770 0.000) 3.770 3.848 ( 0.000 3.770 0.000) 3.770 4.049 ( 0.000 -5.227 0.000) 5.227 4.049 ( 0.000 5.227 0.000) 5.227 4.208 ( 0.000 -3.833 0.000) 3.833 4.208 ( 0.000 3.833 0.000) 3.833 4.283 ( 0.000 -5.348 0.000) 5.348 4.283 ( 0.000 5.348 0.000) 5.348 4.685 ( 0.000 -4.042 0.000) 4.042 4.685 ( 0.000 4.042 0.000) 4.042 4.914 ( 0.000 -1.921 0.000) 1.921 4.914 ( 0.000 1.921 0.000) 1.921 5.260 ( 0.000 -1.985 0.000) 1.985 5.260 ( 0.000 1.985 0.000) 1.985 5.492 ( 0.000 -3.791 0.000) 3.791 5.492 ( 0.000 3.791 0.000) 3.791 5.793 ( 0.000 -9.017 0.000) 9.017 5.793 ( 0.000 9.017 0.000) 9.017 5.997 ( 0.000 -10.612 0.000) 10.612 5.997 ( 0.000 10.612 0.000) 10.612 6.266 ( 0.000 -5.417 0.000) 5.417 6.266 ( 0.000 5.417 0.000) 5.417 6.521 ( 0.000 -0.474 0.000) 0.474 6.521 ( 0.000 0.474 0.000) 0.474 6.735 ( 0.000 -10.322 0.000) 10.322 6.735 ( 0.000 10.322 0.000) 10.322 6.990 ( 0.000 -4.237 0.000) 4.237 6.990 ( 0.000 4.237 0.000) 4.237 7.113 ( 0.000 -8.365 0.000) 8.365 7.113 ( 0.000 8.365 0.000) 8.365 7.600 ( 0.000 -2.635 0.000) 2.635 7.600 ( 0.000 2.635 0.000) 2.635 7.752 ( 0.000 -10.865 0.000) 10.865 7.752 ( 0.000 10.865 0.000) 10.865 7.949 ( 0.000 -3.359 0.000) 3.359 7.949 ( 0.000 3.359 0.000) 3.359 8.189 ( 0.000 -6.178 0.000) 6.178 8.189 ( 0.000 6.178 0.000) 6.178 8.617 ( 0.000 -0.736 0.000) 0.736 8.617 ( 0.000 0.736 0.000) 0.736 8.985 ( 0.000 -0.437 0.000) 0.437 8.985 ( 0.000 0.437 0.000) 0.437 9.474 ( 0.000 -0.595 0.000) 0.595 9.474 ( 0.000 0.595 0.000) 0.595 9.723 ( 0.000 -3.579 0.000) 3.579 9.723 ( 0.000 3.579 0.000) 3.579 10.116 ( 0.000 -1.590 0.000) 1.590 10.116 ( 0.000 1.590 0.000) 1.590 10.479 ( 0.000 -4.627 0.000) 4.627 10.479 ( 0.000 4.627 0.000) 4.627 10.694 ( 0.000 -4.257 0.000) 4.257 10.694 ( 0.000 4.257 0.000) 4.257 11.360 ( 0.000 -3.867 0.000) 3.867 11.360 ( 0.000 3.867 0.000) 3.867 11.691 ( 0.000 -2.755 0.000) 2.755 11.691 ( 0.000 2.755 0.000) 2.755 12.055 ( 0.000 -8.562 0.000) 8.562 12.055 ( 0.000 8.562 0.000) 8.562 12.557 ( 0.000 -0.970 0.000) 0.970 12.557 ( 0.000 0.970 0.000) 0.970 12.707 ( 0.000 -4.149 0.000) 4.149 12.707 ( 0.000 4.149 0.000) 4.149 13.141 ( 0.000 -6.931 0.000) 6.931 13.141 ( 0.000 6.931 0.000) 6.931 13.482 ( 0.000 -2.121 0.000) 2.121 13.482 ( 0.000 2.121 0.000) 2.121 13.643 ( 0.000 -2.216 0.000) 2.216 13.643 ( 0.000 2.216 0.000) 2.216 14.150 ( 0.000 -5.539 0.000) 5.539 14.150 ( 0.000 5.539 0.000) 5.539 14.604 ( 0.000 -4.321 0.000) 4.321 14.604 ( 0.000 4.321 0.000) 4.321 15.371 ( 0.000 -1.525 0.000) 1.525 15.371 ( 0.000 1.525 0.000) 1.525 15.653 ( 0.000 -0.505 0.000) 0.505 15.653 ( 0.000 0.505 0.000) 0.505 16.084 ( 0.000 -4.960 0.000) 4.960 16.084 ( 0.000 4.960 0.000) 4.960 16.172 ( 0.000 -6.102 0.000) 6.102 16.172 ( 0.000 6.102 0.000) 6.102 17.043 ( 0.000 -6.220 0.000) 6.220 17.043 ( 0.000 6.220 0.000) 6.220 17.393 ( 0.000 -6.383 0.000) 6.383 17.393 ( 0.000 6.383 0.000) 6.383 20.628 ( 0.000 -0.158 0.000) 0.158 20.628 ( 0.000 0.158 0.000) 0.158 20.781 ( 0.000 -4.337 0.000) 4.337 20.781 ( 0.000 4.337 0.000) 4.337 25.389 ( 0.000 -2.165 0.000) 2.165 25.389 ( 0.000 2.165 0.000) 2.165 25.479 ( 0.000 -1.112 0.000) 1.112 25.479 ( 0.000 1.112 0.000) 1.112 26.211 ( 0.000 -5.720 0.000) 5.720 26.211 ( 0.000 5.720 0.000) 5.720 26.798 ( 0.000 -1.064 0.000) 1.064 26.798 ( 0.000 1.064 0.000) 1.064 27.286 ( 0.000 -0.540 0.000) 0.540 27.286 ( 0.000 0.540 0.000) 0.540 27.699 ( 0.000 -1.798 0.000) 1.798 27.699 ( 0.000 1.798 0.000) 1.798 27.840 ( 0.000 -0.313 0.000) 0.313 27.840 ( 0.000 0.313 0.000) 0.313 28.067 ( 0.000 -0.664 0.000) 0.664 28.067 ( 0.000 0.664 0.000) 0.664 28.261 ( 0.000 -3.236 0.000) 3.236 28.261 ( 0.000 3.236 0.000) 3.236 28.956 ( 0.000 -11.108 0.000) 11.108 28.956 ( 0.000 11.108 0.000) 11.108 29.437 ( 0.000 -1.921 0.000) 1.921 29.437 ( 0.000 1.921 0.000) 1.921 29.592 ( 0.000 -1.221 0.000) 1.221 29.592 ( 0.000 1.221 0.000) 1.221 31.031 ( 0.000 -14.493 0.000) 14.493 31.031 ( 0.000 14.493 0.000) 14.493 32.080 ( 0.000 -9.236 0.000) 9.236 32.080 ( 0.000 9.236 0.000) 9.236 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.14 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 10.954 -1.756 -5.866) 12.549 1.954 ( 10.954 1.756 -5.866) 12.549 2.074 ( 3.944 -11.678 2.963) 12.677 2.074 ( 3.944 11.678 2.963) 12.677 2.330 ( 13.634 -6.763 3.840) 15.696 2.330 ( 13.634 6.763 3.840) 15.696 2.623 ( 2.752 -9.782 1.136) 10.225 2.623 ( 2.752 9.782 1.136) 10.225 2.743 ( 13.377 -11.660 0.148) 17.746 2.743 ( 13.377 11.660 0.148) 17.746 3.053 ( 3.682 -4.985 7.264) 9.549 3.053 ( 3.682 4.985 7.264) 9.549 3.247 ( 10.054 -2.867 -1.045) 10.507 3.247 ( 10.054 2.867 -1.045) 10.507 3.677 ( -0.476 -1.744 -7.144) 7.370 3.677 ( -0.476 1.744 -7.144) 7.370 3.843 ( -1.341 -1.870 1.626) 2.818 3.843 ( -1.341 1.870 1.626) 2.818 4.044 ( 1.965 -8.537 -4.044) 9.649 4.044 ( 1.965 8.537 -4.044) 9.649 4.231 ( -0.490 -0.559 -0.031) 0.744 4.231 ( -0.490 0.559 -0.031) 0.744 4.329 ( 3.655 -5.822 2.307) 7.251 4.329 ( 3.655 5.822 2.307) 7.251 4.654 ( -1.875 -6.794 -1.450) 7.196 4.654 ( -1.875 6.794 -1.450) 7.196 4.896 ( -4.606 -4.237 3.039) 6.958 4.896 ( -4.606 4.237 3.039) 6.958 5.156 ( -2.237 -6.463 0.134) 6.841 5.156 ( -2.237 6.463 0.134) 6.841 5.602 ( 0.173 -6.507 -1.100) 6.601 5.602 ( 0.173 6.507 -1.100) 6.601 5.767 ( 2.971 -10.833 -4.879) 12.247 5.767 ( 2.971 10.833 -4.879) 12.247 5.971 ( -1.075 -7.710 2.149) 8.076 5.971 ( -1.075 7.710 2.149) 8.076 6.288 ( 2.504 -5.126 0.800) 5.760 6.288 ( 2.504 5.126 0.800) 5.761 6.578 ( 3.012 -2.333 0.680) 3.870 6.578 ( 3.012 2.333 0.680) 3.870 6.678 ( -5.492 -5.617 4.144) 8.882 6.678 ( -5.492 5.617 4.144) 8.882 6.928 ( -6.834 -4.466 -2.117) 8.434 6.928 ( -6.834 4.466 -2.117) 8.434 7.111 ( -0.527 -5.233 -1.403) 5.443 7.111 ( -0.527 5.233 -1.403) 5.443 7.551 ( -4.178 -1.779 -1.405) 4.753 7.551 ( -4.178 1.779 -1.405) 4.753 7.735 ( 1.274 -6.800 -1.532) 7.086 7.735 ( 1.274 6.800 -1.532) 7.086 7.996 ( -0.265 -5.972 7.037) 9.234 7.996 ( -0.265 5.972 7.037) 9.234 8.177 ( -1.198 -5.809 1.392) 6.092 8.177 ( -1.198 5.809 1.392) 6.092 8.572 ( -4.268 -2.199 -1.242) 4.959 8.572 ( -4.268 2.199 -1.242) 4.959 8.979 ( -2.192 -1.447 2.381) 3.545 8.979 ( -2.192 1.447 2.381) 3.545 9.457 ( 0.329 -2.214 -4.297) 4.845 9.457 ( 0.329 2.214 -4.297) 4.845 9.737 ( 2.687 -3.108 -2.780) 4.960 9.737 ( 2.687 3.108 -2.780) 4.960 10.098 ( -2.212 -1.989 0.452) 3.009 10.098 ( -2.212 1.989 0.452) 3.009 10.432 ( -4.807 -4.767 -0.475) 6.786 10.432 ( -4.807 4.767 -0.475) 6.786 10.639 ( -5.713 -3.626 1.950) 7.042 10.639 ( -5.713 3.626 1.950) 7.042 11.373 ( -3.700 -5.232 3.640) 7.370 11.373 ( -3.700 5.232 3.640) 7.370 11.563 ( -5.019 -1.096 -4.961) 7.141 11.563 ( -5.019 1.096 -4.961) 7.141 12.016 ( -1.134 -7.653 -1.189) 7.827 12.016 ( -1.134 7.653 -1.189) 7.827 12.537 ( -4.611 -7.187 3.349) 9.172 12.537 ( -4.611 7.187 3.349) 9.172 12.708 ( 0.393 -4.392 -5.855) 7.330 12.708 ( 0.393 4.392 -5.855) 7.330 13.029 ( -4.795 -6.456 -0.917) 8.094 13.029 ( -4.795 6.456 -0.917) 8.094 13.622 ( 7.413 -3.543 0.786) 8.254 13.622 ( 7.413 3.543 0.786) 8.254 13.784 ( 14.840 -2.901 -2.685) 15.358 13.784 ( 14.840 2.901 -2.685) 15.358 14.276 ( 9.861 -6.126 4.218) 12.351 14.276 ( 9.861 6.126 4.218) 12.351 14.605 ( 2.511 -4.255 -3.576) 6.099 14.605 ( 2.511 4.255 -3.576) 6.099 15.385 ( 0.084 -2.206 1.971) 2.960 15.385 ( 0.084 2.206 1.971) 2.960 15.635 ( -1.642 -2.624 1.549) 3.462 15.635 ( -1.642 2.624 1.549) 3.462 16.069 ( 0.862 -5.065 -3.119) 6.011 16.069 ( 0.862 5.065 -3.119) 6.011 16.243 ( 3.528 -7.306 3.846) 8.979 16.243 ( 3.528 7.306 3.846) 8.979 17.023 ( -2.537 -5.151 0.588) 5.772 17.023 ( -2.537 5.151 0.588) 5.772 17.457 ( 7.233 -6.564 0.040) 9.767 17.457 ( 7.233 6.564 0.040) 9.767 20.579 ( -5.902 -1.612 -0.226) 6.123 20.579 ( -5.902 1.612 -0.226) 6.123 20.711 ( -5.997 -5.334 -0.155) 8.027 20.711 ( -5.997 5.334 -0.155) 8.027 25.374 ( -1.453 -1.603 -0.287) 2.182 25.374 ( -1.453 1.603 -0.287) 2.182 25.479 ( -0.143 -0.589 0.324) 0.687 25.479 ( -0.143 0.589 0.324) 0.687 26.231 ( 1.246 -5.863 1.914) 6.292 26.231 ( 1.246 5.863 1.914) 6.292 26.755 ( -4.787 -0.927 0.532) 4.905 26.755 ( -4.787 0.927 0.532) 4.905 27.260 ( 0.306 -1.907 -6.489) 6.770 27.260 ( 0.306 1.907 -6.489) 6.770 27.495 ( -9.187 -3.334 -9.709) 13.776 27.495 ( -9.187 3.334 -9.709) 13.776 27.891 ( 3.605 -2.179 0.641) 4.261 27.891 ( 3.605 2.179 0.641) 4.261 28.089 ( 3.384 -0.234 -1.166) 3.587 28.089 ( 3.384 0.234 -1.166) 3.587 28.511 ( 12.668 -6.137 11.211) 17.995 28.511 ( 12.668 6.137 11.211) 17.995 29.005 ( 5.084 -14.704 2.008) 15.687 29.005 ( 5.084 14.704 2.008) 15.687 29.424 ( -1.498 -2.346 0.192) 2.790 29.424 ( -1.498 2.346 0.192) 2.790 29.618 ( 2.274 -1.322 0.982) 2.808 29.618 ( 2.274 1.322 0.982) 2.808 31.008 ( -2.401 -13.228 0.625) 13.458 31.008 ( -2.401 13.228 0.625) 13.458 32.009 ( -7.226 -9.752 0.054) 12.137 32.009 ( -7.226 9.752 0.054) 12.137 ======================= Grid point 25 (15/72) ======================= q-point: ( 0.29 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 1.490 -11.637 -10.368) 15.657 1.967 ( 1.490 11.637 -10.368) 15.657 2.114 ( -3.253 -6.797 2.100) 7.823 2.114 ( -3.253 6.797 2.100) 7.823 2.577 ( 7.663 -8.464 4.233) 12.177 2.577 ( 7.663 8.464 4.233) 12.177 2.740 ( 8.771 -5.197 3.087) 10.652 2.740 ( 8.771 5.197 3.087) 10.652 3.112 ( 1.630 -3.820 -0.959) 4.262 3.112 ( 1.630 3.820 -0.959) 4.263 3.159 ( 21.063 -4.894 -0.112) 21.624 3.159 ( 21.063 4.894 -0.112) 21.624 3.523 ( 7.910 -1.933 -0.369) 8.151 3.523 ( 7.910 1.933 -0.369) 8.151 3.731 ( 19.003 -9.382 5.961) 22.016 3.731 ( 19.003 9.382 5.961) 22.016 3.840 ( 2.432 -5.100 -2.614) 6.226 3.840 ( 2.432 5.100 -2.614) 6.226 4.067 ( 0.232 -8.672 -1.146) 8.750 4.067 ( 0.232 8.672 -1.145) 8.750 4.134 ( -4.845 -2.741 -2.808) 6.235 4.134 ( -4.845 2.741 -2.808) 6.235 4.407 ( 0.667 -4.866 1.940) 5.281 4.407 ( 0.667 4.866 1.940) 5.281 4.636 ( 0.553 -9.711 0.606) 9.745 4.636 ( 0.553 9.711 0.606) 9.745 4.831 ( -2.324 -4.614 2.509) 5.743 4.831 ( -2.324 4.614 2.509) 5.743 5.197 ( 2.149 -3.795 0.859) 4.445 5.197 ( 2.149 3.795 0.859) 4.445 5.459 ( -4.493 -5.165 -5.789) 8.965 5.459 ( -4.493 5.165 -5.789) 8.965 5.847 ( 3.234 -8.344 -1.933) 9.155 5.847 ( 3.234 8.344 -1.933) 9.155 5.998 ( 2.222 -3.526 2.029) 4.636 5.998 ( 2.222 3.526 2.029) 4.636 6.326 ( -3.507 -3.957 -0.787) 5.346 6.326 ( -3.507 3.957 -0.787) 5.346 6.502 ( -10.261 -0.796 -1.062) 10.346 6.502 ( -10.261 0.796 -1.062) 10.346 6.651 ( 0.461 -3.215 0.794) 3.344 6.651 ( 0.461 3.215 0.794) 3.344 6.815 ( -3.263 -2.892 4.908) 6.565 6.815 ( -3.263 2.892 4.908) 6.565 7.050 ( -2.636 -1.605 -1.974) 3.664 7.050 ( -2.636 1.605 -1.974) 3.664 7.501 ( 0.480 -3.792 -2.226) 4.424 7.501 ( 0.480 3.792 -2.226) 4.424 7.739 ( -2.655 -5.011 0.803) 5.728 7.739 ( -2.655 5.011 0.803) 5.728 7.995 ( -3.377 -4.618 4.092) 7.034 7.995 ( -3.377 4.618 4.092) 7.034 8.180 ( -1.370 -4.427 2.158) 5.112 8.180 ( -1.370 4.427 2.158) 5.112 8.481 ( -2.611 -2.421 -0.332) 3.576 8.481 ( -2.611 2.421 -0.332) 3.576 8.925 ( -4.777 -2.674 1.271) 5.620 8.925 ( -4.777 2.674 1.271) 5.620 9.452 ( 2.743 -0.220 -4.184) 5.008 9.452 ( 2.743 0.220 -4.184) 5.008 9.771 ( 3.102 -3.682 -3.019) 5.682 9.771 ( 3.102 3.682 -3.019) 5.682 10.038 ( -4.746 -3.080 0.941) 5.736 10.038 ( -4.746 3.080 0.941) 5.736 10.318 ( -5.658 -2.790 -1.773) 6.553 10.318 ( -5.658 2.790 -1.773) 6.553 10.559 ( -3.886 -2.930 2.336) 5.398 10.559 ( -3.886 2.930 2.336) 5.398 11.234 ( -7.640 -2.895 -0.190) 8.172 11.234 ( -7.640 2.895 -0.190) 8.172 11.598 ( 5.418 -3.635 1.855) 6.783 11.598 ( 5.418 3.635 1.855) 6.783 12.003 ( 0.614 -5.206 -2.851) 5.967 12.003 ( 0.614 5.206 -2.851) 5.967 12.462 ( -5.113 -6.907 2.835) 9.049 12.462 ( -5.113 6.907 2.835) 9.049 12.622 ( -4.406 -7.955 -3.617) 9.786 12.622 ( -4.406 7.955 -3.617) 9.786 12.984 ( -0.089 -5.021 -2.257) 5.506 12.984 ( -0.089 5.021 -2.257) 5.506 13.739 ( 4.150 -3.437 2.187) 5.816 13.739 ( 4.150 3.437 2.187) 5.816 14.053 ( 14.555 -4.953 -0.883) 15.400 14.053 ( 14.555 4.953 -0.883) 15.400 14.414 ( 3.108 -9.048 -2.556) 9.903 14.414 ( 3.108 9.048 -2.556) 9.903 14.709 ( 10.283 -5.992 -1.755) 12.030 14.709 ( 10.283 5.992 -1.755) 12.030 15.388 ( -1.508 -2.474 2.416) 3.773 15.388 ( -1.508 2.474 2.416) 3.773 15.617 ( -1.727 -2.386 0.505) 2.988 15.617 ( -1.727 2.386 0.505) 2.988 16.089 ( 2.747 -7.000 -0.837) 7.566 16.089 ( 2.747 7.000 -0.837) 7.566 16.304 ( 0.382 -8.287 3.257) 8.912 16.304 ( 0.382 8.287 3.257) 8.912 16.958 ( -4.449 -3.806 -0.239) 5.860 16.958 ( -4.449 3.806 -0.239) 5.860 17.650 ( 12.482 -6.648 0.028) 14.142 17.650 ( 12.482 6.648 0.028) 14.142 20.405 ( -11.356 -1.291 0.111) 11.430 20.405 ( -11.356 1.291 0.111) 11.430 20.618 ( -3.659 -3.622 -0.182) 5.152 20.618 ( -3.659 3.622 -0.182) 5.152 25.337 ( -2.023 -0.980 -0.451) 2.293 25.337 ( -2.023 0.980 -0.451) 2.293 25.478 ( -0.334 -0.484 0.529) 0.791 25.478 ( -0.334 0.484 0.529) 0.791 26.272 ( 1.109 -4.924 2.477) 5.622 26.272 ( 1.109 4.924 2.477) 5.622 26.654 ( -4.968 -0.253 -0.707) 5.025 26.654 ( -4.968 0.253 -0.707) 5.025 27.206 ( -0.459 -3.100 -8.271) 8.845 27.206 ( -0.459 3.100 -8.271) 8.845 27.346 ( -1.549 -5.850 -3.602) 7.043 27.346 ( -1.549 5.850 -3.602) 7.043 27.960 ( 3.660 -2.210 -0.772) 4.344 27.960 ( 3.660 2.210 -0.772) 4.344 28.155 ( 3.218 -0.564 0.546) 3.313 28.155 ( 3.218 0.564 0.546) 3.313 28.738 ( 6.135 -2.139 4.600) 7.961 28.738 ( 6.135 2.139 4.600) 7.961 29.163 ( 7.548 -19.052 4.503) 20.981 29.163 ( 7.548 19.052 4.503) 20.981 29.390 ( -2.017 -3.792 -0.166) 4.299 29.390 ( -2.017 3.792 -0.166) 4.299 29.679 ( 3.025 -4.190 1.457) 5.369 29.679 ( 3.025 4.190 1.457) 5.369 30.968 ( -2.254 -10.003 1.122) 10.315 30.968 ( -2.254 10.003 1.122) 10.315 31.847 ( -9.247 -11.023 -0.293) 14.391 31.847 ( -9.247 11.023 -0.293) 14.391 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.43 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -1.509 -3.165 -4.764) 5.915 1.895 ( -1.509 3.165 -4.764) 5.915 2.086 ( -0.389 -8.935 0.482) 8.956 2.086 ( -0.389 8.935 0.482) 8.956 2.687 ( 2.107 -4.431 2.387) 5.457 2.687 ( 2.107 4.431 2.387) 5.457 2.859 ( 0.792 -4.776 1.274) 5.006 2.859 ( 0.792 4.776 1.274) 5.006 3.147 ( 4.997 -7.240 -1.636) 8.947 3.147 ( 4.997 7.240 -1.636) 8.947 3.389 ( 1.707 -2.443 -0.219) 2.988 3.389 ( 1.707 2.443 -0.219) 2.988 3.561 ( 4.078 -10.834 -1.922) 11.735 3.561 ( 4.078 10.834 -1.922) 11.735 3.891 ( 4.044 -8.137 -0.464) 9.098 3.891 ( 4.044 8.137 -0.464) 9.098 3.974 ( -2.778 -10.406 0.303) 10.775 3.974 ( -2.778 10.406 0.303) 10.775 4.077 ( 1.590 -7.683 0.420) 7.857 4.077 ( 1.590 7.683 0.420) 7.857 4.259 ( 9.038 -2.172 -2.292) 9.573 4.259 ( 9.038 2.172 -2.292) 9.573 4.393 ( 2.655 -4.335 4.217) 6.605 4.393 ( 2.655 4.335 4.217) 6.605 4.643 ( -3.377 -7.732 4.773) 9.694 4.643 ( -3.377 7.732 4.773) 9.694 4.890 ( 7.950 -8.984 -0.302) 12.000 4.890 ( 7.950 8.984 -0.302) 12.000 5.222 ( 0.546 -1.129 1.642) 2.066 5.222 ( 0.546 1.129 1.642) 2.066 5.436 ( 5.603 -10.188 -4.725) 12.550 5.436 ( 5.603 10.188 -4.725) 12.550 5.800 ( -11.967 -1.057 0.635) 12.030 5.800 ( -11.967 1.057 0.635) 12.030 5.993 ( -3.565 -3.200 -5.269) 7.121 5.993 ( -3.565 3.200 -5.269) 7.121 6.137 ( -1.163 -3.273 0.224) 3.480 6.137 ( -1.163 3.273 0.224) 3.480 6.392 ( -4.693 -0.659 1.711) 5.038 6.392 ( -4.693 0.659 1.711) 5.038 6.671 ( 0.077 -1.513 -0.381) 1.562 6.671 ( 0.077 1.513 -0.381) 1.562 6.831 ( 0.672 -1.396 3.585) 3.906 6.831 ( 0.672 1.396 3.585) 3.906 7.065 ( 3.369 -1.382 0.407) 3.664 7.065 ( 3.369 1.382 0.407) 3.664 7.496 ( 0.060 -5.444 -2.736) 6.093 7.496 ( 0.060 5.444 -2.736) 6.093 7.643 ( -5.642 -3.749 1.096) 6.862 7.643 ( -5.642 3.749 1.096) 6.862 7.977 ( -0.428 -2.104 0.428) 2.189 7.977 ( -0.428 2.104 0.428) 2.189 8.137 ( -2.731 -1.319 1.072) 3.217 8.137 ( -2.731 1.319 1.072) 3.217 8.501 ( 2.284 -4.296 0.664) 4.910 8.501 ( 2.284 4.296 0.664) 4.910 8.854 ( -2.830 -2.968 0.581) 4.142 8.854 ( -2.830 2.968 0.581) 4.142 9.476 ( 1.624 -1.266 -1.692) 2.665 9.476 ( 1.624 1.266 -1.692) 2.665 9.803 ( 2.143 -2.983 -2.067) 4.215 9.803 ( 2.143 2.983 -2.067) 4.215 9.959 ( -3.621 -5.516 1.073) 6.685 9.959 ( -3.621 5.516 1.073) 6.685 10.232 ( -2.192 -3.812 -0.761) 4.463 10.232 ( -2.192 3.812 -0.761) 4.463 10.531 ( -0.842 -2.051 0.862) 2.379 10.531 ( -0.842 2.051 0.862) 2.379 11.144 ( -2.317 -2.478 0.072) 3.393 11.144 ( -2.317 2.478 0.072) 3.393 11.700 ( 3.130 -5.025 1.597) 6.131 11.700 ( 3.130 5.025 1.597) 6.131 11.988 ( -0.122 -2.573 -1.890) 3.195 11.988 ( -0.122 2.573 -1.890) 3.195 12.406 ( -2.312 -1.726 1.226) 3.135 12.406 ( -2.312 1.726 1.226) 3.135 12.539 ( -1.953 -9.534 -1.254) 9.813 12.539 ( -1.953 9.535 -1.254) 9.813 12.973 ( 0.092 -2.928 -1.020) 3.101 12.973 ( 0.092 2.928 -1.020) 3.101 13.803 ( 1.301 -4.621 1.379) 4.994 13.803 ( 1.301 4.621 1.379) 4.994 14.238 ( 4.293 -4.146 0.662) 6.005 14.238 ( 4.293 4.146 0.662) 6.005 14.440 ( 3.063 -7.718 -2.982) 8.823 14.440 ( 3.063 7.718 -2.982) 8.823 14.856 ( 5.221 -6.601 -0.728) 8.448 14.856 ( 5.221 6.601 -0.728) 8.448 15.360 ( -2.584 -2.003 1.207) 3.485 15.360 ( -2.584 2.003 1.207) 3.485 15.592 ( -0.514 -0.836 -0.162) 0.995 15.592 ( -0.514 0.836 -0.162) 0.995 16.120 ( 0.542 -8.468 -0.429) 8.496 16.120 ( 0.542 8.468 -0.429) 8.496 16.338 ( 1.120 -7.659 2.263) 8.064 16.338 ( 1.120 7.659 2.263) 8.064 16.878 ( -2.892 -4.475 -0.669) 5.370 16.878 ( -2.892 4.475 -0.669) 5.370 17.843 ( 6.535 -6.345 -0.122) 9.109 17.843 ( 6.535 6.345 -0.122) 9.109 20.235 ( -5.698 -0.456 0.213) 5.720 20.235 ( -5.698 0.456 0.213) 5.720 20.571 ( -1.309 -1.586 -0.096) 2.059 20.571 ( -1.309 1.586 -0.096) 2.059 25.304 ( -0.961 -0.626 -0.224) 1.168 25.304 ( -0.961 0.626 -0.224) 1.168 25.476 ( -0.191 -0.803 0.276) 0.870 25.476 ( -0.191 0.803 0.276) 0.870 26.297 ( 0.141 -2.652 1.037) 2.851 26.297 ( 0.141 2.652 1.037) 2.851 26.590 ( -1.425 -1.664 -0.497) 2.246 26.590 ( -1.425 1.664 -0.497) 2.246 27.147 ( -0.708 -0.917 -2.962) 3.181 27.147 ( -0.708 0.917 -2.962) 3.181 27.334 ( 0.705 -5.908 -1.046) 6.041 27.334 ( 0.705 5.908 -1.046) 6.041 28.006 ( 1.601 -0.956 -0.398) 1.906 28.006 ( 1.601 0.956 -0.398) 1.906 28.197 ( 1.001 -0.829 0.135) 1.306 28.197 ( 1.001 0.829 0.135) 1.306 28.838 ( 2.586 -2.316 1.063) 3.631 28.838 ( 2.586 2.316 1.063) 3.631 29.279 ( 1.615 -14.621 2.521) 14.925 29.279 ( 1.615 14.621 2.521) 14.925 29.363 ( -0.169 -7.186 -0.534) 7.208 29.363 ( -0.169 7.186 -0.534) 7.208 29.732 ( 1.425 -7.389 0.685) 7.556 29.732 ( 1.425 7.389 0.685) 7.556 30.949 ( -0.598 -7.526 0.668) 7.579 30.949 ( -0.598 7.526 0.668) 7.579 31.709 ( -4.347 -12.276 -0.307) 13.027 31.709 ( -4.347 12.276 -0.307) 13.027 ======================= Grid point 49 (17/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -5.639 0.000 29.821) 30.350 0.976 ( -2.345 0.000 43.649) 43.712 1.423 ( -2.738 0.000 63.283) 63.342 2.047 ( 15.324 0.000 -11.330) 19.058 2.239 ( -10.607 0.000 -8.101) 13.347 2.263 ( 1.359 0.000 -10.382) 10.471 2.361 ( 10.806 0.000 -1.369) 10.892 2.576 ( -1.202 0.000 6.517) 6.627 2.664 ( -3.700 0.000 2.437) 4.430 2.683 ( -2.340 0.000 5.723) 6.183 2.734 ( -9.526 0.000 -7.955) 12.411 3.056 ( 6.971 0.000 3.387) 7.751 3.108 ( -0.495 0.000 8.920) 8.934 3.202 ( -2.546 0.000 0.627) 2.623 3.407 ( -2.067 0.000 9.419) 9.644 3.602 ( 5.274 0.000 -1.472) 5.476 3.730 ( 1.664 0.000 12.304) 12.416 3.876 ( -6.664 0.000 -0.155) 6.665 4.105 ( -7.406 0.000 0.804) 7.449 4.212 ( -0.823 0.000 1.869) 2.043 4.339 ( 3.883 0.000 8.416) 9.269 4.387 ( -1.543 0.000 -2.657) 3.072 4.513 ( -0.812 0.000 3.252) 3.352 4.633 ( -0.592 0.000 -0.988) 1.152 4.690 ( 13.484 0.000 -6.380) 14.917 4.829 ( -8.874 0.000 -2.160) 9.134 4.893 ( 9.279 0.000 -5.557) 10.815 4.909 ( -10.669 0.000 4.283) 11.496 4.941 ( -15.292 0.000 7.443) 17.007 5.185 ( 7.994 0.000 5.963) 9.973 5.260 ( 4.060 0.000 1.670) 4.390 5.400 ( -0.485 0.000 -12.818) 12.827 5.650 ( 3.765 0.000 -9.148) 9.892 5.685 ( -3.442 0.000 -7.322) 8.091 6.087 ( 7.443 0.000 -3.232) 8.114 6.111 ( 2.225 0.000 -14.355) 14.526 6.226 ( 2.264 0.000 -11.892) 12.105 6.250 ( -6.487 0.000 -2.373) 6.908 6.476 ( 1.571 0.000 3.926) 4.228 6.489 ( -0.561 0.000 6.562) 6.586 6.642 ( -1.985 0.000 -6.958) 7.236 6.779 ( -3.722 0.000 16.594) 17.006 6.915 ( 5.722 0.000 -3.441) 6.677 6.935 ( -1.493 0.000 -1.231) 1.935 6.988 ( -2.533 0.000 1.706) 3.054 7.327 ( -0.432 0.000 -9.632) 9.641 7.352 ( -0.798 0.000 -8.878) 8.914 7.594 ( 1.177 0.000 0.428) 1.252 7.808 ( -1.502 0.000 10.119) 10.230 7.892 ( -2.368 0.000 -4.948) 5.485 8.127 ( -2.393 0.000 1.051) 2.614 8.222 ( -1.202 0.000 -0.169) 1.214 8.293 ( 1.047 0.000 -8.274) 8.340 8.306 ( 6.815 0.000 9.001) 11.290 8.775 ( 2.963 0.000 -0.135) 2.966 8.994 ( -7.395 0.000 -5.531) 9.235 9.207 ( -0.927 0.000 2.815) 2.964 9.380 ( -0.144 0.000 1.296) 1.304 9.459 ( -5.092 0.000 5.696) 7.640 9.528 ( -0.489 0.000 2.520) 2.567 9.617 ( 7.220 0.000 3.656) 8.093 9.695 ( 2.606 0.000 1.790) 3.161 9.806 ( 5.181 0.000 2.420) 5.718 10.257 ( 1.361 0.000 -14.230) 14.295 10.419 ( 0.234 0.000 3.609) 3.617 10.530 ( -0.269 0.000 -5.366) 5.372 10.744 ( -0.121 0.000 10.181) 10.181 11.056 ( 18.869 0.000 -2.654) 19.054 11.321 ( -7.812 0.000 4.956) 9.251 11.433 ( 0.926 0.000 -0.778) 1.210 11.660 ( 4.188 0.000 -7.465) 8.559 11.778 ( -0.900 0.000 1.296) 1.578 11.921 ( 4.393 0.000 6.684) 7.999 12.218 ( -67.101 0.000 -8.519) 67.639 12.392 ( 4.858 0.000 -7.346) 8.807 12.400 ( 32.294 0.000 -8.142) 33.304 12.513 ( -10.676 0.000 5.675) 12.091 12.877 ( -0.236 0.000 -1.055) 1.081 13.034 ( 2.107 0.000 4.079) 4.591 13.310 ( -23.386 0.000 0.595) 23.394 13.358 ( 18.595 0.000 0.089) 18.596 13.509 ( 0.573 0.000 -4.199) 4.238 13.605 ( -4.695 0.000 0.501) 4.722 13.701 ( 4.104 0.000 -2.453) 4.781 14.207 ( -1.103 0.000 3.162) 3.349 14.367 ( 1.905 0.000 -1.168) 2.234 14.645 ( -4.384 0.000 0.177) 4.388 14.780 ( 22.817 0.000 -2.823) 22.991 15.320 ( -2.046 0.000 0.479) 2.101 15.399 ( 0.623 0.000 2.230) 2.315 15.416 ( -4.097 0.000 3.561) 5.428 15.560 ( 0.920 0.000 -0.726) 1.173 15.740 ( 0.191 0.000 -0.234) 0.302 16.007 ( 0.007 0.000 -3.448) 3.448 16.124 ( 7.063 0.000 4.448) 8.347 16.324 ( 1.378 0.000 1.348) 1.927 16.757 ( -3.685 0.000 4.836) 6.080 16.932 ( 1.548 0.000 -0.676) 1.689 17.175 ( -3.108 0.000 2.324) 3.880 17.518 ( 1.075 0.000 -4.500) 4.627 20.340 ( 0.436 0.000 1.372) 1.439 20.513 ( -0.480 0.000 -3.497) 3.530 20.721 ( -1.394 0.000 5.300) 5.480 21.031 ( 0.426 0.000 -2.563) 2.598 25.320 ( 0.170 0.000 1.576) 1.585 25.389 ( -0.421 0.000 0.224) 0.476 25.480 ( -0.048 0.000 -1.411) 1.412 25.483 ( 3.289 0.000 -1.292) 3.533 25.990 ( 0.824 0.000 2.530) 2.661 26.183 ( -0.560 0.000 -0.447) 0.717 26.771 ( 4.631 0.000 -0.568) 4.666 26.891 ( -13.340 0.000 0.464) 13.348 26.922 ( 0.182 0.000 0.013) 0.183 27.137 ( -5.849 0.000 1.916) 6.155 27.149 ( 1.308 0.000 -0.061) 1.309 27.287 ( -6.833 0.000 -11.720) 13.567 27.761 ( 0.483 0.000 2.820) 2.861 27.891 ( 7.376 0.000 5.695) 9.319 27.993 ( -3.180 0.000 0.282) 3.193 28.014 ( 1.720 0.000 -2.417) 2.967 28.243 ( 4.887 0.000 4.313) 6.519 28.471 ( 2.825 0.000 -0.888) 2.961 28.798 ( -6.713 0.000 8.671) 10.965 29.406 ( -1.092 0.000 0.955) 1.450 29.433 ( 3.875 0.000 -1.347) 4.102 29.474 ( -2.667 0.000 2.488) 3.647 29.633 ( -1.762 0.000 -0.254) 1.781 29.837 ( 8.709 0.000 -13.509) 16.072 30.938 ( 31.372 0.000 11.544) 33.429 31.776 ( 0.104 0.000 -10.377) 10.378 32.500 ( 5.328 0.000 3.537) 6.395 32.664 ( -34.971 0.000 -1.333) 34.997 ======================= Grid point 50 (18/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 31.056 0.000 21.624) 37.842 1.385 ( 11.939 0.000 36.686) 38.580 2.045 ( 18.392 0.000 43.285) 47.030 2.055 ( 1.429 0.000 -3.745) 4.009 2.348 ( 11.278 0.000 -0.195) 11.280 2.430 ( 21.748 0.000 -13.048) 25.362 2.495 ( -9.378 0.000 -3.733) 10.094 2.515 ( 3.246 0.000 -3.100) 4.488 2.651 ( 3.315 0.000 3.333) 4.701 2.696 ( 12.886 0.000 1.956) 13.034 2.802 ( 13.416 0.000 1.640) 13.516 3.164 ( -0.572 0.000 0.937) 1.098 3.183 ( 2.464 0.000 4.000) 4.698 3.221 ( 8.870 0.000 -2.794) 9.300 3.440 ( -2.949 0.000 11.485) 11.858 3.675 ( 4.458 0.000 -0.544) 4.491 3.699 ( -9.433 0.000 -0.868) 9.472 3.828 ( -1.767 0.000 5.458) 5.736 4.091 ( 1.013 0.000 5.757) 5.846 4.192 ( -1.285 0.000 2.769) 3.053 4.389 ( 1.159 0.000 1.420) 1.833 4.389 ( -6.320 0.000 -0.174) 6.323 4.474 ( -5.161 0.000 3.633) 6.312 4.580 ( -3.243 0.000 0.166) 3.248 4.710 ( -2.876 0.000 2.362) 3.721 4.739 ( -7.083 0.000 2.759) 7.601 4.797 ( 4.278 0.000 -7.532) 8.662 4.817 ( -0.255 0.000 -1.160) 1.188 5.098 ( 6.279 0.000 -13.989) 15.334 5.144 ( -2.955 0.000 0.830) 3.069 5.327 ( 4.407 0.000 1.140) 4.552 5.462 ( 11.947 0.000 -2.960) 12.308 5.712 ( 7.909 0.000 2.167) 8.200 5.730 ( 9.064 0.000 -2.589) 9.426 6.024 ( -0.979 0.000 -13.931) 13.965 6.033 ( -8.460 0.000 -4.248) 9.467 6.155 ( -1.764 0.000 -4.421) 4.760 6.164 ( 5.362 0.000 -18.765) 19.516 6.542 ( -2.820 0.000 6.481) 7.068 6.551 ( 1.860 0.000 7.022) 7.264 6.620 ( 5.489 0.000 2.304) 5.953 6.776 ( -5.868 0.000 10.133) 11.709 6.825 ( -8.078 0.000 -10.630) 13.351 6.953 ( -3.484 0.000 -0.625) 3.539 7.022 ( 2.359 0.000 7.790) 8.140 7.261 ( -1.268 0.000 -5.141) 5.295 7.427 ( 14.288 0.000 -14.647) 20.462 7.570 ( -5.178 0.000 3.382) 6.185 7.792 ( -3.851 0.000 -4.143) 5.656 7.807 ( -5.339 0.000 6.440) 8.365 8.096 ( -0.311 0.000 -0.879) 0.932 8.142 ( -3.425 0.000 -7.475) 8.222 8.274 ( -1.136 0.000 0.370) 1.195 8.483 ( 4.967 0.000 3.198) 5.907 8.714 ( -16.482 0.000 -4.502) 17.086 8.745 ( -6.085 0.000 6.446) 8.864 9.191 ( -2.970 0.000 3.945) 4.938 9.289 ( -3.827 0.000 -0.854) 3.921 9.473 ( -2.866 0.000 4.887) 5.665 9.585 ( 1.577 0.000 2.140) 2.658 9.718 ( -8.544 0.000 -3.591) 9.268 9.777 ( 6.392 0.000 3.256) 7.173 9.832 ( 7.595 0.000 4.176) 8.668 10.168 ( -1.108 0.000 -11.790) 11.842 10.403 ( -8.081 0.000 -5.785) 9.938 10.410 ( -2.982 0.000 2.989) 4.222 10.706 ( -11.608 0.000 5.447) 12.822 10.808 ( -36.654 0.000 19.652) 41.590 11.212 ( -3.245 0.000 -0.506) 3.284 11.378 ( -4.603 0.000 1.592) 4.870 11.455 ( -1.615 0.000 5.420) 5.655 11.718 ( 5.408 0.000 -7.446) 9.203 11.867 ( 1.904 0.000 5.283) 5.616 12.100 ( 8.079 0.000 7.445) 10.986 12.343 ( -3.094 0.000 1.017) 3.257 12.455 ( -0.193 0.000 -3.326) 3.331 12.581 ( -6.271 0.000 -5.747) 8.506 12.805 ( 3.810 0.000 -0.141) 3.813 13.054 ( -3.095 0.000 4.405) 5.383 13.261 ( 3.921 0.000 -7.133) 8.140 13.532 ( 3.962 0.000 -6.434) 7.556 13.578 ( 4.594 0.000 -1.517) 4.838 13.631 ( 12.498 0.000 -1.481) 12.585 13.923 ( 14.165 0.000 -2.216) 14.337 14.213 ( -0.527 0.000 2.740) 2.790 14.469 ( 9.525 0.000 -2.719) 9.905 14.627 ( 1.996 0.000 -1.377) 2.425 15.130 ( 13.620 0.000 -4.455) 14.330 15.325 ( 4.343 0.000 -2.051) 4.803 15.427 ( 0.635 0.000 1.408) 1.544 15.429 ( 1.108 0.000 3.288) 3.469 15.575 ( 0.859 0.000 -0.096) 0.864 15.755 ( 1.529 0.000 0.933) 1.791 16.004 ( 2.952 0.000 -5.633) 6.360 16.257 ( 5.965 0.000 2.868) 6.618 16.319 ( -2.713 0.000 -0.014) 2.713 16.923 ( 10.954 0.000 -8.917) 14.124 16.973 ( 2.614 0.000 0.653) 2.694 17.136 ( -2.750 0.000 2.437) 3.675 17.538 ( 4.929 0.000 -4.059) 6.386 20.340 ( -1.585 0.000 1.817) 2.411 20.441 ( -4.558 0.000 -3.107) 5.516 20.673 ( -6.300 0.000 4.866) 7.960 20.941 ( -7.510 0.000 -3.279) 8.195 25.351 ( 1.675 0.000 1.895) 2.530 25.391 ( 0.498 0.000 -0.349) 0.609 25.462 ( -0.542 0.000 -1.349) 1.454 25.524 ( 2.314 0.000 -3.648) 4.320 26.035 ( 1.600 0.000 3.470) 3.821 26.141 ( -2.803 0.000 -1.704) 3.280 26.655 ( -7.122 0.000 3.508) 7.939 26.760 ( -14.033 0.000 -2.515) 14.256 26.983 ( 1.540 0.000 4.655) 4.903 27.072 ( 2.844 0.000 -0.746) 2.940 27.123 ( 3.480 0.000 -5.803) 6.767 27.329 ( 9.192 0.000 -1.069) 9.254 27.802 ( 1.112 0.000 2.772) 2.987 27.942 ( -1.230 0.000 -1.349) 1.826 28.017 ( 3.584 0.000 -1.343) 3.828 28.084 ( 4.921 0.000 0.887) 5.000 28.346 ( 5.272 0.000 2.897) 6.016 28.562 ( 8.046 0.000 -1.677) 8.219 28.766 ( -3.393 0.000 10.610) 11.139 29.350 ( -4.992 0.000 0.671) 5.037 29.391 ( -4.144 0.000 -0.056) 4.144 29.548 ( 4.207 0.000 2.874) 5.095 29.632 ( 1.804 0.000 -1.085) 2.105 29.888 ( 6.456 0.000 -10.744) 12.535 31.404 ( 17.927 0.000 -7.885) 19.584 31.658 ( -3.653 0.000 -11.396) 11.967 31.926 ( -42.557 0.000 23.361) 48.548 32.552 ( -3.607 0.000 5.400) 6.493 ======================= Grid point 51 (19/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 9.631 0.000 26.235) 27.947 1.851 ( 18.130 0.000 20.786) 27.582 2.114 ( 6.676 0.000 -6.406) 9.252 2.334 ( -4.388 0.000 -0.024) 4.388 2.343 ( 0.967 0.000 8.181) 8.238 2.467 ( 1.195 0.000 -5.319) 5.452 2.500 ( -2.767 0.000 -4.542) 5.318 2.610 ( 2.228 0.000 4.498) 5.020 2.996 ( 8.463 0.000 5.416) 10.048 3.045 ( 18.576 0.000 9.167) 20.715 3.096 ( 16.398 0.000 -6.568) 17.664 3.176 ( 5.628 0.000 1.457) 5.813 3.297 ( 10.242 0.000 0.588) 10.259 3.398 ( 14.995 0.000 -4.599) 15.684 3.513 ( 5.959 0.000 8.056) 10.021 3.515 ( -7.838 0.000 2.863) 8.344 3.792 ( 7.444 0.000 1.038) 7.516 3.836 ( 0.887 0.000 1.507) 1.749 4.011 ( -14.718 0.000 1.661) 14.811 4.173 ( -3.618 0.000 -0.281) 3.629 4.319 ( -10.011 0.000 7.104) 12.276 4.395 ( 11.465 0.000 5.027) 12.518 4.466 ( 1.849 0.000 -2.496) 3.106 4.510 ( -4.507 0.000 6.492) 7.903 4.660 ( -0.831 0.000 -5.432) 5.495 4.688 ( -5.432 0.000 8.431) 10.029 4.824 ( -4.906 0.000 -11.499) 12.502 4.873 ( 2.121 0.000 1.592) 2.652 4.938 ( 14.270 0.000 -3.756) 14.756 5.357 ( -1.336 0.000 -4.679) 4.866 5.427 ( 16.649 0.000 1.506) 16.717 5.641 ( 8.056 0.000 0.831) 8.099 5.803 ( -6.467 0.000 -2.848) 7.066 5.879 ( 0.917 0.000 -17.253) 17.277 5.890 ( 1.719 0.000 0.749) 1.875 5.950 ( 12.898 0.000 0.329) 12.902 6.104 ( 1.019 0.000 -4.036) 4.163 6.179 ( 9.091 0.000 -12.489) 15.447 6.429 ( -15.027 0.000 -4.260) 15.619 6.565 ( -2.369 0.000 5.508) 5.995 6.645 ( 1.093 0.000 6.532) 6.622 6.699 ( -9.704 0.000 3.664) 10.373 6.811 ( -6.033 0.000 -2.884) 6.687 6.897 ( 11.677 0.000 4.031) 12.353 7.114 ( -4.155 0.000 10.741) 11.516 7.153 ( -7.225 0.000 0.762) 7.266 7.400 ( -14.339 0.000 7.093) 15.997 7.534 ( 5.016 0.000 -15.972) 16.741 7.742 ( 1.209 0.000 -1.768) 2.141 7.746 ( -3.098 0.000 0.186) 3.104 8.038 ( -0.258 0.000 -7.525) 7.529 8.092 ( 0.336 0.000 -2.310) 2.334 8.204 ( -8.157 0.000 2.069) 8.415 8.444 ( -8.258 0.000 0.718) 8.289 8.445 ( -6.059 0.000 -5.182) 7.973 8.735 ( -2.167 0.000 6.226) 6.592 9.144 ( -5.148 0.000 2.579) 5.758 9.286 ( 2.608 0.000 1.640) 3.081 9.426 ( -1.019 0.000 -1.776) 2.047 9.457 ( -9.248 0.000 1.218) 9.328 9.692 ( 4.121 0.000 -3.106) 5.160 9.904 ( 5.504 0.000 1.769) 5.781 10.002 ( -7.141 0.000 -13.714) 15.462 10.007 ( 5.723 0.000 4.566) 7.321 10.234 ( -6.451 0.000 1.756) 6.686 10.349 ( -5.931 0.000 2.070) 6.281 10.452 ( -14.742 0.000 -1.318) 14.800 10.506 ( -13.525 0.000 17.083) 21.789 11.186 ( -1.088 0.000 1.532) 1.879 11.357 ( 0.548 0.000 -2.963) 3.013 11.460 ( -1.766 0.000 5.333) 5.618 11.751 ( 3.915 0.000 -7.023) 8.041 11.951 ( 3.081 0.000 2.620) 4.044 12.205 ( 0.656 0.000 -2.289) 2.381 12.379 ( -0.143 0.000 -7.707) 7.709 12.393 ( -9.038 0.000 1.787) 9.213 12.432 ( 2.916 0.000 13.086) 13.407 12.929 ( 8.349 0.000 -2.702) 8.775 13.034 ( -2.270 0.000 4.227) 4.798 13.223 ( -1.141 0.000 -8.091) 8.172 13.554 ( 2.239 0.000 -1.454) 2.669 13.691 ( 8.035 0.000 -0.209) 8.037 13.918 ( 15.717 0.000 2.182) 15.867 14.123 ( 9.674 0.000 -1.804) 9.841 14.228 ( -0.088 0.000 2.666) 2.667 14.633 ( 10.723 0.000 -5.587) 12.092 14.664 ( 2.064 0.000 -0.302) 2.086 15.221 ( 0.370 0.000 0.658) 0.755 15.395 ( -1.209 0.000 3.738) 3.929 15.437 ( -0.490 0.000 0.993) 1.107 15.533 ( 9.997 0.000 -0.861) 10.034 15.575 ( -0.458 0.000 -0.884) 0.995 15.815 ( 3.547 0.000 1.433) 3.826 16.022 ( 3.908 0.000 -6.262) 7.381 16.233 ( -4.938 0.000 -2.316) 5.454 16.383 ( 6.079 0.000 -2.588) 6.607 16.961 ( 2.716 0.000 -7.449) 7.929 17.018 ( 1.109 0.000 0.950) 1.461 17.115 ( -2.322 0.000 4.613) 5.164 17.642 ( 7.991 0.000 -1.661) 8.162 20.318 ( -1.943 0.000 1.666) 2.560 20.322 ( -5.396 0.000 -2.254) 5.848 20.592 ( -5.112 0.000 2.994) 5.924 20.741 ( -9.823 0.000 -4.066) 10.631 25.394 ( 1.165 0.000 1.189) 1.665 25.397 ( 0.649 0.000 -0.982) 1.177 25.449 ( 0.012 0.000 -0.413) 0.413 25.534 ( 1.966 0.000 -2.573) 3.238 26.074 ( -2.433 0.000 -2.132) 3.236 26.099 ( 2.769 0.000 3.054) 4.123 26.481 ( -12.757 0.000 -3.273) 13.170 26.569 ( -4.961 0.000 2.148) 5.406 26.968 ( -2.306 0.000 3.921) 4.549 27.188 ( 5.310 0.000 -1.424) 5.497 27.206 ( 5.415 0.000 5.697) 7.860 27.497 ( 9.019 0.000 -0.725) 9.048 27.824 ( -0.293 0.000 1.074) 1.113 27.935 ( 1.347 0.000 -1.624) 2.110 28.068 ( 3.692 0.000 -3.746) 5.260 28.125 ( 0.539 0.000 0.124) 0.553 28.484 ( 7.839 0.000 0.772) 7.877 28.636 ( 2.550 0.000 -5.965) 6.487 28.896 ( 5.505 0.000 14.161) 15.194 29.252 ( -5.920 0.000 0.837) 5.979 29.290 ( -6.808 0.000 0.028) 6.808 29.654 ( 5.321 0.000 2.165) 5.745 29.674 ( 3.326 0.000 -0.256) 3.336 29.911 ( 2.692 0.000 -6.720) 7.239 31.337 ( -23.667 0.000 9.700) 25.578 31.506 ( -3.010 0.000 -10.831) 11.241 31.695 ( 5.153 0.000 1.572) 5.388 32.456 ( -9.331 0.000 2.819) 9.748 ======================= Grid point 52 (20/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -5.887 0.000 2.469) 6.384 2.104 ( -4.435 0.000 10.977) 11.839 2.123 ( -2.446 0.000 -6.605) 7.043 2.370 ( -2.932 0.000 0.865) 3.057 2.431 ( 5.983 0.000 -6.498) 8.833 2.440 ( -6.000 0.000 9.681) 11.390 2.445 ( 6.494 0.000 8.918) 11.032 2.623 ( -0.526 0.000 5.247) 5.274 3.012 ( -3.033 0.000 0.964) 3.182 3.151 ( 4.965 0.000 -7.257) 8.793 3.249 ( 0.862 0.000 1.013) 1.330 3.278 ( -0.946 0.000 1.931) 2.150 3.490 ( 1.098 0.000 12.857) 12.904 3.527 ( 12.026 0.000 -0.146) 12.027 3.628 ( -7.740 0.000 -2.968) 8.290 3.649 ( 3.670 0.000 1.399) 3.927 3.769 ( -1.434 0.000 -3.637) 3.910 3.928 ( 7.542 0.000 -1.261) 7.647 3.981 ( 5.888 0.000 5.979) 8.391 4.192 ( 2.559 0.000 5.764) 6.307 4.247 ( 1.242 0.000 1.352) 1.836 4.421 ( -2.607 0.000 -2.585) 3.672 4.465 ( -6.464 0.000 6.402) 9.098 4.633 ( 1.701 0.000 8.245) 8.419 4.635 ( 0.705 0.000 -4.040) 4.101 4.721 ( 2.469 0.000 7.072) 7.491 4.740 ( -1.012 0.000 -2.232) 2.451 4.914 ( 3.770 0.000 -3.263) 4.986 5.194 ( 9.691 0.000 1.412) 9.794 5.276 ( 9.619 0.000 -4.113) 10.461 5.649 ( -21.138 0.000 1.619) 21.200 5.674 ( 9.123 0.000 -1.386) 9.228 5.769 ( 1.827 0.000 -7.885) 8.093 5.825 ( 3.498 0.000 -2.561) 4.335 5.868 ( 11.710 0.000 1.865) 11.858 6.092 ( 8.850 0.000 -19.086) 21.038 6.147 ( 5.854 0.000 -1.712) 6.100 6.294 ( -0.369 0.000 2.249) 2.280 6.315 ( -1.365 0.000 4.878) 5.065 6.527 ( -4.481 0.000 -3.503) 5.688 6.559 ( -5.811 0.000 6.982) 9.084 6.572 ( 0.754 0.000 -3.379) 3.462 6.829 ( -7.857 0.000 2.217) 8.164 6.905 ( -4.566 0.000 7.641) 8.901 7.006 ( -3.820 0.000 5.638) 6.810 7.144 ( -5.312 0.000 7.836) 9.467 7.164 ( -10.552 0.000 -5.651) 11.970 7.558 ( 10.306 0.000 -1.890) 10.478 7.706 ( -0.437 0.000 -1.964) 2.012 7.782 ( 2.564 0.000 0.384) 2.592 8.035 ( 4.778 0.000 -8.477) 9.731 8.043 ( -3.406 0.000 -3.183) 4.662 8.066 ( -5.345 0.000 0.106) 5.346 8.312 ( -4.956 0.000 -1.658) 5.226 8.394 ( 1.945 0.000 -3.358) 3.881 8.698 ( -4.341 0.000 1.159) 4.493 9.076 ( -2.764 0.000 2.185) 3.523 9.315 ( 0.177 0.000 -0.075) 0.192 9.352 ( -4.893 0.000 2.002) 5.286 9.487 ( 5.793 0.000 -2.730) 6.404 9.737 ( 3.685 0.000 -4.761) 6.021 9.776 ( -5.087 0.000 -10.898) 12.027 9.993 ( 3.735 0.000 -0.555) 3.776 10.058 ( -3.506 0.000 4.622) 5.801 10.197 ( -1.109 0.000 6.195) 6.294 10.227 ( -8.286 0.000 0.877) 8.333 10.251 ( -3.872 0.000 -0.279) 3.882 10.491 ( -1.423 0.000 11.982) 12.066 11.181 ( -1.654 0.000 4.212) 4.525 11.342 ( 0.879 0.000 -4.119) 4.211 11.477 ( -0.186 0.000 4.615) 4.619 11.762 ( 2.505 0.000 -5.862) 6.375 11.975 ( -1.002 0.000 -3.138) 3.294 12.156 ( -1.135 0.000 -10.528) 10.589 12.277 ( -4.308 0.000 -0.964) 4.415 12.316 ( -2.222 0.000 5.843) 6.251 12.627 ( 6.197 0.000 10.504) 12.196 12.997 ( 0.654 0.000 -7.594) 7.622 13.011 ( -3.727 0.000 3.522) 5.128 13.186 ( 4.245 0.000 -2.264) 4.811 13.598 ( 2.204 0.000 2.531) 3.356 13.817 ( 4.310 0.000 0.383) 4.327 14.169 ( 6.870 0.000 4.229) 8.067 14.239 ( -1.009 0.000 2.828) 3.003 14.250 ( 4.914 0.000 -1.017) 5.018 14.697 ( 1.510 0.000 2.693) 3.088 14.757 ( 7.129 0.000 -7.148) 10.095 15.207 ( -1.660 0.000 0.210) 1.673 15.370 ( -3.084 0.000 3.092) 4.367 15.433 ( -0.508 0.000 1.606) 1.685 15.558 ( -0.179 0.000 -1.531) 1.541 15.654 ( 1.594 0.000 -0.738) 1.757 15.868 ( 0.774 0.000 -1.044) 1.299 16.043 ( 2.717 0.000 -7.505) 7.982 16.142 ( -2.117 0.000 -1.986) 2.903 16.428 ( 4.115 0.000 -6.633) 7.806 16.919 ( -2.254 0.000 -5.898) 6.314 17.021 ( -0.893 0.000 -0.474) 1.011 17.204 ( 5.867 0.000 13.221) 14.464 17.758 ( 3.795 0.000 -0.003) 3.795 20.240 ( -1.546 0.000 -1.072) 1.882 20.292 ( -2.094 0.000 0.242) 2.108 20.542 ( -1.964 0.000 1.606) 2.537 20.588 ( -2.198 0.000 -2.756) 3.526 25.401 ( -0.559 0.000 -0.453) 0.719 25.405 ( 1.152 0.000 -1.000) 1.526 25.455 ( 0.198 0.000 0.936) 0.957 25.566 ( 2.456 0.000 -0.620) 2.533 26.036 ( 0.009 0.000 -1.526) 1.526 26.174 ( 2.324 0.000 -0.595) 2.399 26.271 ( -6.421 0.000 -0.048) 6.421 26.504 ( -2.753 0.000 -0.114) 2.755 26.980 ( -0.787 0.000 6.967) 7.011 27.272 ( 3.361 0.000 1.646) 3.743 27.327 ( 1.520 0.000 10.044) 10.158 27.617 ( 4.096 0.000 -1.496) 4.361 27.817 ( -0.526 0.000 -0.273) 0.592 27.950 ( 1.329 0.000 -1.501) 2.005 28.063 ( 0.232 0.000 -5.042) 5.047 28.163 ( 2.195 0.000 0.777) 2.328 28.605 ( 3.932 0.000 -2.210) 4.511 28.626 ( 1.364 0.000 -5.719) 5.880 29.044 ( -0.791 0.000 11.061) 11.090 29.161 ( -3.750 0.000 0.053) 3.750 29.162 ( -5.666 0.000 -0.367) 5.678 29.747 ( 3.178 0.000 2.658) 4.143 29.767 ( 5.705 0.000 0.250) 5.710 29.882 ( -1.885 0.000 -3.253) 3.759 30.995 ( -18.687 0.000 5.076) 19.364 31.425 ( 2.810 0.000 -8.760) 9.200 31.822 ( 7.163 0.000 0.518) 7.182 32.292 ( -7.547 0.000 -2.212) 7.865 ======================= Grid point 53 (21/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -22.832 0.000 3.484) 23.096 1.874 ( -25.230 0.000 3.823) 25.518 1.999 ( -0.520 0.000 -8.680) 8.696 2.379 ( -3.251 0.000 4.887) 5.870 2.422 ( 5.091 0.000 5.975) 7.850 2.433 ( 0.673 0.000 -7.678) 7.707 2.596 ( 2.409 0.000 5.335) 5.854 2.685 ( -4.193 0.000 8.949) 9.883 2.918 ( -6.311 0.000 -2.251) 6.700 3.183 ( 0.849 0.000 -1.271) 1.528 3.244 ( -1.132 0.000 4.801) 4.933 3.274 ( -1.773 0.000 3.334) 3.776 3.445 ( -7.795 0.000 -0.758) 7.832 3.600 ( -11.137 0.000 -3.544) 11.687 3.607 ( -2.624 0.000 4.871) 5.533 3.641 ( -0.457 0.000 5.224) 5.243 3.810 ( 6.433 0.000 -2.246) 6.814 3.896 ( -14.495 0.000 6.760) 15.994 3.954 ( -0.192 0.000 -2.321) 2.329 4.242 ( -1.785 0.000 -6.953) 7.179 4.256 ( -1.660 0.000 5.986) 6.211 4.391 ( -0.931 0.000 2.386) 2.561 4.470 ( -2.338 0.000 5.809) 6.262 4.599 ( -2.590 0.000 -2.042) 3.298 4.617 ( -5.704 0.000 5.780) 8.121 4.694 ( 7.304 0.000 -0.707) 7.338 4.774 ( -1.680 0.000 8.670) 8.832 4.999 ( 2.981 0.000 -0.008) 2.981 5.224 ( -18.281 0.000 -2.359) 18.433 5.429 ( 15.897 0.000 -5.353) 16.774 5.591 ( 15.397 0.000 -1.100) 15.436 5.701 ( -5.616 0.000 -3.219) 6.474 5.820 ( 7.754 0.000 -10.825) 13.316 5.919 ( -2.722 0.000 1.833) 3.282 5.923 ( -1.560 0.000 9.575) 9.702 6.122 ( -12.207 0.000 -0.808) 12.234 6.202 ( 10.459 0.000 -13.051) 16.725 6.219 ( -4.116 0.000 0.428) 4.138 6.299 ( 7.394 0.000 -0.731) 7.430 6.314 ( -4.463 0.000 -10.037) 10.985 6.467 ( -3.477 0.000 4.456) 5.652 6.687 ( 0.456 0.000 4.412) 4.436 6.852 ( 5.019 0.000 10.623) 11.749 6.950 ( -5.101 0.000 -5.671) 7.627 6.977 ( 3.357 0.000 2.342) 4.093 7.113 ( 8.811 0.000 9.837) 13.206 7.132 ( 3.473 0.000 6.248) 7.148 7.684 ( 0.312 0.000 -1.972) 1.997 7.801 ( -1.277 0.000 0.674) 1.444 7.825 ( 13.196 0.000 4.422) 13.917 8.006 ( 5.763 0.000 -5.736) 8.131 8.015 ( 0.788 0.000 -1.317) 1.534 8.097 ( 8.863 0.000 -8.218) 12.087 8.211 ( -3.674 0.000 -5.142) 6.320 8.431 ( 3.874 0.000 -2.898) 4.838 8.583 ( -6.878 0.000 -5.982) 9.116 9.082 ( 0.504 0.000 2.810) 2.855 9.274 ( -4.733 0.000 0.869) 4.812 9.327 ( 0.056 0.000 1.368) 1.369 9.469 ( -3.568 0.000 -0.290) 3.580 9.689 ( 1.975 0.000 -10.377) 10.563 9.752 ( 2.088 0.000 -6.043) 6.394 9.995 ( -6.071 0.000 4.450) 7.527 10.063 ( -8.895 0.000 -1.048) 8.957 10.112 ( 10.234 0.000 0.373) 10.241 10.264 ( 2.047 0.000 6.381) 6.702 10.302 ( 6.823 0.000 2.240) 7.181 10.563 ( -0.223 0.000 8.531) 8.534 11.191 ( -1.911 0.000 7.729) 7.961 11.346 ( 2.479 0.000 -1.619) 2.961 11.524 ( 2.033 0.000 3.698) 4.220 11.761 ( 1.576 0.000 -4.399) 4.672 11.886 ( -3.846 0.000 -6.553) 7.598 12.004 ( -4.762 0.000 -13.303) 14.129 12.237 ( -1.634 0.000 3.340) 3.719 12.369 ( 2.077 0.000 6.706) 7.020 12.793 ( 4.780 0.000 6.824) 8.332 12.901 ( -2.424 0.000 -8.447) 8.788 12.946 ( -5.622 0.000 2.378) 6.104 13.293 ( 6.304 0.000 -0.651) 6.337 13.673 ( 2.780 0.000 4.958) 5.684 13.833 ( -2.442 0.000 -0.403) 2.475 14.145 ( -7.956 0.000 -0.175) 7.958 14.260 ( -2.904 0.000 6.376) 7.006 14.275 ( -1.635 0.000 -0.409) 1.686 14.764 ( -0.927 0.000 -6.610) 6.674 14.790 ( 3.755 0.000 7.472) 8.362 15.179 ( -0.799 0.000 -2.739) 2.853 15.344 ( -1.781 0.000 2.289) 2.901 15.446 ( -0.194 0.000 2.616) 2.623 15.544 ( -0.228 0.000 -2.114) 2.127 15.571 ( -7.433 0.000 -3.243) 8.109 15.817 ( -3.486 0.000 -2.660) 4.385 16.015 ( 1.628 0.000 -7.275) 7.455 16.141 ( 2.559 0.000 -1.346) 2.892 16.422 ( -1.502 0.000 -8.035) 8.174 16.881 ( 2.699 0.000 0.009) 2.699 16.988 ( -1.332 0.000 -1.897) 2.318 17.452 ( 8.413 0.000 13.399) 15.821 17.754 ( -3.336 0.000 -1.366) 3.604 20.253 ( -0.764 0.000 -1.215) 1.436 20.264 ( 4.480 0.000 0.082) 4.481 20.542 ( 1.056 0.000 -0.124) 1.063 20.636 ( 7.525 0.000 -0.695) 7.557 25.375 ( -1.491 0.000 -1.060) 1.829 25.425 ( 1.690 0.000 -0.757) 1.851 25.461 ( -0.880 0.000 1.688) 1.904 25.598 ( 1.256 0.000 -0.824) 1.502 26.053 ( 2.623 0.000 -0.622) 2.695 26.082 ( -5.090 0.000 -2.814) 5.816 26.349 ( 8.453 0.000 2.047) 8.698 26.478 ( 1.093 0.000 -1.947) 2.233 27.036 ( -0.183 0.000 10.329) 10.330 27.323 ( 0.255 0.000 2.314) 2.328 27.414 ( -1.010 0.000 12.997) 13.036 27.620 ( -2.196 0.000 -0.642) 2.288 27.804 ( -0.708 0.000 -0.253) 0.752 27.960 ( 1.074 0.000 -1.648) 1.967 28.033 ( 0.098 0.000 -3.752) 3.753 28.166 ( -1.598 0.000 -3.171) 3.551 28.522 ( -10.208 0.000 -5.215) 11.463 28.578 ( -2.945 0.000 -4.896) 5.713 29.041 ( -6.969 0.000 9.710) 11.953 29.139 ( 3.702 0.000 -0.724) 3.773 29.152 ( 3.274 0.000 0.579) 3.325 29.800 ( -0.814 0.000 4.140) 4.219 29.800 ( -5.098 0.000 -0.489) 5.121 29.855 ( 4.485 0.000 -2.660) 5.214 30.718 ( -13.197 0.000 -1.832) 13.324 31.491 ( 9.711 0.000 -5.553) 11.187 31.978 ( 7.992 0.000 5.573) 9.743 32.183 ( -0.066 0.000 -6.749) 6.749 ======================= Grid point 54 (22/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -29.724 0.000 11.805) 31.982 1.356 ( -32.141 0.000 6.818) 32.856 1.961 ( 0.259 0.000 -3.602) 3.612 2.232 ( -25.568 0.000 11.810) 28.164 2.411 ( -1.919 0.000 -5.039) 5.392 2.550 ( -7.663 0.000 -1.835) 7.880 2.563 ( 1.019 0.000 5.486) 5.580 2.664 ( 5.906 0.000 2.941) 6.598 2.782 ( -8.037 0.000 3.985) 8.971 3.054 ( -26.668 0.000 -4.176) 26.992 3.117 ( -11.397 0.000 -0.148) 11.398 3.195 ( -8.409 0.000 1.802) 8.600 3.333 ( -0.173 0.000 12.578) 12.580 3.362 ( -7.905 0.000 2.293) 8.231 3.453 ( -11.570 0.000 -2.956) 11.941 3.589 ( -12.244 0.000 -3.238) 12.665 3.621 ( -5.277 0.000 3.535) 6.352 4.027 ( 5.332 0.000 2.340) 5.823 4.083 ( 13.025 0.000 2.334) 13.232 4.144 ( -6.184 0.000 3.656) 7.184 4.251 ( 2.471 0.000 2.394) 3.441 4.377 ( 0.657 0.000 -9.061) 9.085 4.401 ( -2.034 0.000 0.533) 2.103 4.542 ( -2.263 0.000 -1.785) 2.883 4.612 ( -2.573 0.000 7.590) 8.014 4.780 ( 1.460 0.000 3.502) 3.794 4.884 ( 1.420 0.000 0.530) 1.516 5.033 ( 5.402 0.000 3.604) 6.493 5.034 ( -4.445 0.000 4.315) 6.195 5.492 ( -14.163 0.000 -0.271) 14.166 5.566 ( -13.121 0.000 -3.319) 13.535 5.618 ( 5.148 0.000 -5.845) 7.789 5.683 ( -8.054 0.000 -5.815) 9.934 5.870 ( 1.742 0.000 -3.599) 3.999 5.926 ( -6.448 0.000 -2.586) 6.947 6.019 ( 9.584 0.000 -8.421) 12.757 6.195 ( 4.455 0.000 -12.736) 13.493 6.266 ( 1.057 0.000 5.925) 6.018 6.391 ( 11.870 0.000 -1.420) 11.955 6.434 ( 5.206 0.000 -0.518) 5.232 6.539 ( 9.164 0.000 1.255) 9.250 6.679 ( -10.329 0.000 6.407) 12.154 6.895 ( 0.341 0.000 6.766) 6.775 6.956 ( 6.290 0.000 1.442) 6.453 7.045 ( 2.045 0.000 -1.681) 2.647 7.350 ( 8.122 0.000 5.765) 9.960 7.352 ( 7.286 0.000 6.007) 9.443 7.668 ( -0.609 0.000 -0.748) 0.965 7.828 ( 5.265 0.000 1.978) 5.625 8.001 ( 1.333 0.000 -5.726) 5.879 8.095 ( 10.585 0.000 -0.206) 10.587 8.101 ( -0.377 0.000 -9.333) 9.341 8.189 ( 14.049 0.000 -2.168) 14.215 8.309 ( 14.716 0.000 4.631) 15.427 8.393 ( -5.589 0.000 -6.614) 8.659 8.465 ( 3.835 0.000 -1.582) 4.148 9.080 ( -1.361 0.000 -0.825) 1.591 9.243 ( -0.576 0.000 6.586) 6.611 9.312 ( -0.876 0.000 -2.202) 2.370 9.444 ( -1.575 0.000 5.949) 6.154 9.657 ( 0.550 0.000 -6.027) 6.052 9.703 ( -3.941 0.000 -4.611) 6.066 9.860 ( -8.243 0.000 -1.064) 8.311 9.993 ( 0.954 0.000 3.029) 3.176 10.299 ( 8.805 0.000 -5.907) 10.603 10.351 ( 6.024 0.000 0.644) 6.058 10.472 ( 6.865 0.000 6.957) 9.774 10.589 ( -2.476 0.000 5.683) 6.199 11.232 ( -0.737 0.000 10.361) 10.388 11.431 ( 5.430 0.000 5.814) 7.956 11.590 ( 1.578 0.000 1.417) 2.121 11.753 ( -0.014 0.000 -6.104) 6.104 11.768 ( -2.515 0.000 -3.575) 4.371 11.831 ( -3.843 0.000 -7.707) 8.612 12.252 ( 0.663 0.000 3.152) 3.221 12.485 ( 5.992 0.000 5.105) 7.871 12.816 ( -0.212 0.000 -7.092) 7.095 12.843 ( -7.751 0.000 3.244) 8.403 12.902 ( 3.540 0.000 1.838) 3.989 13.369 ( 2.472 0.000 -2.197) 3.307 13.739 ( -6.394 0.000 -1.614) 6.595 13.748 ( 0.965 0.000 3.025) 3.175 13.947 ( -12.735 0.000 1.257) 12.797 14.211 ( -4.270 0.000 1.933) 4.687 14.231 ( -3.955 0.000 5.044) 6.410 14.641 ( -7.286 0.000 -5.487) 9.121 14.873 ( -3.456 0.000 9.499) 10.109 15.067 ( -7.392 0.000 -10.531) 12.866 15.337 ( -0.815 0.000 1.962) 2.124 15.428 ( -3.771 0.000 1.032) 3.909 15.457 ( -1.040 0.000 -0.527) 1.166 15.529 ( 1.202 0.000 -1.846) 2.203 15.755 ( -1.116 0.000 -1.332) 1.738 16.009 ( 2.370 0.000 -5.606) 6.086 16.193 ( 4.105 0.000 -1.556) 4.390 16.264 ( -7.367 0.000 -7.557) 10.554 16.953 ( -0.852 0.000 -2.057) 2.227 16.988 ( 6.545 0.000 0.445) 6.560 17.641 ( 2.514 0.000 4.192) 4.889 17.651 ( -4.857 0.000 -3.224) 5.829 20.261 ( 2.143 0.000 -0.627) 2.232 20.390 ( 8.111 0.000 1.050) 8.179 20.566 ( 2.300 0.000 -2.614) 3.482 20.804 ( 10.431 0.000 -1.161) 10.496 25.337 ( -1.660 0.000 -0.705) 1.803 25.439 ( -1.517 0.000 0.499) 1.597 25.457 ( 1.188 0.000 0.094) 1.192 25.590 ( -0.625 0.000 -3.641) 3.694 25.998 ( -2.430 0.000 -1.156) 2.691 26.111 ( 3.416 0.000 0.214) 3.422 26.520 ( 5.183 0.000 -2.545) 5.774 26.554 ( 12.165 0.000 1.032) 12.209 27.120 ( 0.542 0.000 10.714) 10.727 27.294 ( -4.375 0.000 -0.683) 4.428 27.489 ( -1.021 0.000 12.252) 12.295 27.575 ( -2.799 0.000 3.826) 4.740 27.793 ( -0.610 0.000 1.786) 1.887 27.960 ( -0.355 0.000 -2.093) 2.123 27.977 ( -5.136 0.000 -5.937) 7.850 28.070 ( -2.545 0.000 -5.871) 6.399 28.216 ( -16.287 0.000 -5.145) 17.080 28.480 ( -3.160 0.000 -2.376) 3.954 28.962 ( -8.957 0.000 10.087) 13.490 29.235 ( 6.185 0.000 -0.794) 6.235 29.260 ( 6.252 0.000 1.633) 6.461 29.704 ( -5.562 0.000 1.856) 5.864 29.774 ( -4.624 0.000 3.284) 5.672 29.881 ( 2.333 0.000 -8.485) 8.800 30.474 ( -11.768 0.000 -0.841) 11.798 31.661 ( 11.149 0.000 -3.923) 11.819 32.199 ( 7.587 0.000 -7.664) 10.784 32.222 ( 11.689 0.000 13.953) 18.202 ======================= Grid point 55 (23/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -27.906 0.000 24.139) 36.897 0.924 ( -23.349 0.000 32.396) 39.934 1.572 ( -52.698 0.000 36.056) 63.852 1.947 ( 2.978 0.000 -6.232) 6.907 2.296 ( -1.056 0.000 -5.926) 6.019 2.444 ( -6.802 0.000 -12.071) 13.856 2.540 ( -5.284 0.000 0.866) 5.355 2.681 ( -17.656 0.000 -4.057) 18.116 2.692 ( -5.357 0.000 5.861) 7.940 2.720 ( -6.773 0.000 3.699) 7.718 2.886 ( 1.418 0.000 5.348) 5.533 3.008 ( -10.503 0.000 -3.286) 11.005 3.185 ( -13.044 0.000 6.945) 14.777 3.267 ( -5.516 0.000 -0.329) 5.525 3.391 ( -3.803 0.000 10.434) 11.105 3.507 ( 5.313 0.000 -2.383) 5.823 3.613 ( 0.460 0.000 8.212) 8.225 4.018 ( -9.833 0.000 4.057) 10.637 4.112 ( 5.624 0.000 0.797) 5.680 4.276 ( -8.522 0.000 -0.586) 8.542 4.339 ( 0.622 0.000 -1.449) 1.577 4.363 ( 11.603 0.000 1.591) 11.711 4.446 ( 7.471 0.000 -0.633) 7.498 4.496 ( 2.935 0.000 -5.496) 6.231 4.636 ( -0.516 0.000 4.411) 4.441 4.839 ( 1.336 0.000 -7.209) 7.332 4.898 ( 1.164 0.000 8.437) 8.517 5.016 ( 0.829 0.000 3.864) 3.952 5.167 ( 5.533 0.000 -0.183) 5.536 5.202 ( -19.115 0.000 -1.481) 19.173 5.207 ( -17.895 0.000 5.546) 18.735 5.520 ( -6.301 0.000 -3.881) 7.400 5.668 ( 4.672 0.000 -10.324) 11.332 5.817 ( -1.792 0.000 -9.898) 10.059 5.922 ( 8.205 0.000 -4.171) 9.205 6.157 ( 8.281 0.000 -12.832) 15.272 6.174 ( 6.298 0.000 -8.671) 10.716 6.299 ( -0.243 0.000 2.812) 2.823 6.472 ( -0.730 0.000 3.553) 3.627 6.512 ( -7.970 0.000 1.738) 8.157 6.626 ( 6.791 0.000 12.418) 14.154 6.699 ( 4.255 0.000 -2.822) 5.106 6.901 ( -0.549 0.000 -1.696) 1.783 7.042 ( -2.134 0.000 -0.539) 2.201 7.044 ( 1.487 0.000 -7.794) 7.935 7.401 ( -0.283 0.000 -5.638) 5.645 7.492 ( 4.730 0.000 -0.250) 4.736 7.618 ( -7.844 0.000 -5.417) 9.532 7.824 ( -8.055 0.000 -9.096) 12.149 7.941 ( 0.973 0.000 -0.593) 1.139 8.080 ( 4.694 0.000 1.799) 5.027 8.221 ( 1.478 0.000 1.093) 1.839 8.223 ( -3.178 0.000 1.074) 3.354 8.327 ( 0.578 0.000 -7.088) 7.112 8.579 ( 18.523 0.000 -1.497) 18.584 8.959 ( 21.449 0.000 3.610) 21.751 9.149 ( 8.023 0.000 9.441) 12.389 9.305 ( 2.057 0.000 0.707) 2.175 9.359 ( 12.686 0.000 24.396) 27.498 9.483 ( 1.010 0.000 5.873) 5.959 9.581 ( -5.041 0.000 0.935) 5.127 9.593 ( -4.214 0.000 -2.628) 4.967 9.728 ( -5.263 0.000 -1.379) 5.441 10.161 ( 15.956 0.000 9.715) 18.681 10.320 ( 3.098 0.000 -12.638) 13.012 10.489 ( 7.228 0.000 -2.746) 7.732 10.601 ( 2.310 0.000 8.296) 8.611 10.631 ( 3.720 0.000 9.448) 10.154 11.308 ( -0.477 0.000 11.895) 11.905 11.525 ( -4.231 0.000 -8.438) 9.439 11.658 ( 13.329 0.000 14.192) 19.470 11.670 ( 0.218 0.000 -7.294) 7.297 11.771 ( 1.135 0.000 2.846) 3.064 11.824 ( 2.049 0.000 5.326) 5.707 12.313 ( 4.707 0.000 -0.049) 4.707 12.650 ( 7.691 0.000 0.881) 7.741 12.697 ( -10.716 0.000 2.863) 11.092 12.806 ( 4.451 0.000 -5.054) 6.734 12.965 ( 2.717 0.000 1.147) 2.949 13.331 ( -4.043 0.000 -4.313) 5.912 13.599 ( -6.047 0.000 -3.235) 6.858 13.720 ( -2.834 0.000 -3.654) 4.624 13.739 ( -10.782 0.000 2.762) 11.130 14.156 ( -8.474 0.000 -5.759) 10.246 14.208 ( -2.039 0.000 3.908) 4.408 14.443 ( -8.322 0.000 -4.910) 9.663 14.765 ( -14.226 0.000 -16.210) 21.567 14.781 ( -10.702 0.000 4.856) 11.752 15.337 ( -0.740 0.000 1.508) 1.680 15.384 ( -0.960 0.000 1.329) 1.640 15.482 ( 0.756 0.000 -0.285) 0.808 15.547 ( 1.326 0.000 -0.985) 1.652 15.742 ( 0.015 0.000 -0.677) 0.677 16.002 ( 0.752 0.000 -3.150) 3.239 16.101 ( -4.196 0.000 -4.760) 6.345 16.265 ( 3.982 0.000 0.164) 3.985 16.929 ( -0.152 0.000 -1.605) 1.612 17.059 ( -0.235 0.000 -6.288) 6.293 17.429 ( -24.197 0.000 -15.873) 28.938 17.558 ( -2.028 0.000 -4.116) 4.589 20.306 ( 2.340 0.000 0.444) 2.381 20.518 ( 3.789 0.000 -3.682) 5.283 20.618 ( 5.654 0.000 3.458) 6.628 20.967 ( 7.767 0.000 -2.057) 8.035 25.313 ( -0.632 0.000 0.672) 0.922 25.407 ( -1.806 0.000 0.512) 1.877 25.479 ( 1.089 0.000 -0.851) 1.382 25.517 ( -3.289 0.000 -5.268) 6.210 25.972 ( -0.371 0.000 0.758) 0.844 26.167 ( 2.051 0.000 0.444) 2.098 26.624 ( 7.803 0.000 -1.745) 7.995 26.787 ( 11.742 0.000 0.209) 11.744 27.178 ( -1.741 0.000 4.795) 5.101 27.186 ( -4.832 0.000 -1.781) 5.150 27.394 ( -15.959 0.000 -18.892) 24.730 27.533 ( -7.171 0.000 -2.134) 7.482 27.768 ( -3.497 0.000 -0.320) 3.511 27.803 ( -3.206 0.000 -2.295) 3.943 27.990 ( 5.828 0.000 19.529) 20.380 28.024 ( -0.256 0.000 -2.928) 2.939 28.038 ( -2.757 0.000 5.291) 5.967 28.448 ( 0.558 0.000 -0.959) 1.110 28.872 ( -8.519 0.000 9.605) 12.839 29.335 ( 5.548 0.000 -1.061) 5.649 29.369 ( 3.789 0.000 1.534) 4.088 29.601 ( -8.015 0.000 -1.030) 8.081 29.697 ( -5.093 0.000 1.483) 5.305 29.812 ( 1.991 0.000 -13.186) 13.336 30.401 ( 0.594 0.000 25.834) 25.841 31.787 ( 6.024 0.000 -7.022) 9.252 32.337 ( 10.524 0.000 -2.355) 10.784 32.644 ( 20.659 0.000 14.963) 25.508 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.432 22.602 19.211) 29.667 1.093 ( -1.364 14.294 27.680) 31.183 1.801 ( -1.823 27.913 44.665) 52.701 2.098 ( 11.452 -1.994 -9.815) 15.214 2.159 ( -0.054 -3.850 -3.414) 5.145 2.255 ( 0.300 0.555 -10.556) 10.575 2.417 ( 2.722 4.413 2.056) 5.578 2.531 ( -0.109 0.466 5.313) 5.335 2.621 ( -1.165 -2.596 -4.158) 5.038 2.700 ( -7.591 -0.208 0.052) 7.595 2.869 ( -2.233 7.888 2.346) 8.527 3.027 ( -1.846 -2.725 5.417) 6.339 3.070 ( 1.880 -1.532 3.964) 4.647 3.346 ( 1.873 4.167 -7.851) 9.083 3.483 ( 0.556 5.801 -0.291) 5.835 3.646 ( 0.853 4.021 2.430) 4.775 3.788 ( -4.987 -1.665 3.368) 6.244 3.856 ( -1.779 4.899 9.624) 10.944 4.075 ( -5.183 -2.293 2.416) 6.161 4.156 ( -2.353 -5.627 1.106) 6.199 4.263 ( -1.807 -5.328 6.698) 8.747 4.375 ( -0.875 -3.956 3.384) 5.279 4.438 ( 1.529 -1.697 -2.476) 3.369 4.623 ( 6.950 -2.626 -0.516) 7.447 4.663 ( -0.027 2.152 1.293) 2.511 4.742 ( -5.533 -5.596 -3.118) 8.464 4.916 ( 2.426 0.322 1.930) 3.117 5.004 ( -5.385 5.771 1.048) 7.962 5.050 ( -5.721 6.223 3.548) 9.168 5.200 ( 4.758 2.449 3.373) 6.326 5.362 ( 3.257 5.598 -3.184) 7.217 5.403 ( -3.423 0.444 -13.688) 14.116 5.705 ( -5.565 2.121 -3.377) 6.847 5.727 ( 5.003 4.381 -5.582) 8.683 6.050 ( 8.673 -3.600 -1.576) 9.521 6.097 ( 1.473 -3.036 -12.505) 12.953 6.223 ( 0.405 0.454 -10.288) 10.306 6.268 ( -1.587 2.270 -4.202) 5.033 6.435 ( 1.912 -1.926 2.004) 3.373 6.544 ( 0.330 2.292 6.474) 6.875 6.629 ( -4.542 1.059 -3.961) 6.119 6.832 ( -1.431 2.583 6.930) 7.532 6.896 ( 5.127 0.065 1.436) 5.324 6.984 ( -2.392 2.779 -2.083) 4.217 7.004 ( -2.310 1.346 1.985) 3.330 7.279 ( 1.311 -1.923 -9.839) 10.110 7.428 ( -1.774 3.918 -5.965) 7.354 7.621 ( -1.087 2.870 -1.200) 3.295 7.775 ( 0.792 -1.313 9.016) 9.146 7.908 ( -2.860 0.204 -2.127) 3.570 7.956 ( 1.480 -9.680 0.090) 9.793 8.157 ( -0.508 -7.945 -6.049) 9.998 8.263 ( 6.586 -4.079 7.716) 10.934 8.397 ( -1.508 6.354 -2.353) 6.942 8.721 ( 2.059 -3.711 0.593) 4.285 8.855 ( -2.276 -11.450 7.236) 13.735 9.149 ( 0.414 -5.619 3.378) 6.569 9.225 ( 5.416 -9.494 13.100) 17.061 9.444 ( -8.746 1.858 -1.415) 9.052 9.488 ( -0.900 -4.764 1.843) 5.187 9.596 ( 4.260 1.438 2.845) 5.321 9.727 ( 0.490 0.275 0.885) 1.049 9.978 ( 1.746 9.807 -5.998) 11.627 10.199 ( -0.997 -5.031 -9.375) 10.686 10.330 ( 1.738 -4.831 -0.426) 5.152 10.600 ( -0.506 3.512 -1.463) 3.838 10.643 ( 2.085 -4.390 11.832) 12.791 10.907 ( 2.050 -8.165 4.918) 9.749 11.337 ( 2.195 -0.308 3.538) 4.175 11.387 ( -1.164 0.434 -9.834) 9.912 11.647 ( 3.710 -2.173 -4.917) 6.531 11.745 ( 1.969 -5.346 0.608) 5.730 11.819 ( -5.142 -0.018 -1.139) 5.267 12.246 ( -13.403 -2.885 -10.119) 17.040 12.374 ( 0.838 4.796 -3.483) 5.986 12.470 ( -0.041 1.310 -2.854) 3.140 12.539 ( -0.911 2.140 3.067) 3.849 12.816 ( -2.597 -2.912 3.651) 5.344 13.023 ( 1.630 -0.890 1.601) 2.452 13.251 ( -1.546 -2.587 -2.903) 4.185 13.371 ( 1.820 2.242 0.288) 2.902 13.521 ( -1.090 0.956 -3.738) 4.009 13.593 ( -1.358 -1.522 0.988) 2.266 13.701 ( 1.132 -0.339 -1.646) 2.026 14.228 ( 0.466 -2.587 2.922) 3.931 14.345 ( -1.844 2.650 -3.132) 4.498 14.602 ( 4.879 -7.615 1.616) 9.187 14.651 ( 2.446 -2.644 -0.765) 3.682 15.341 ( -0.722 1.851 2.512) 3.203 15.399 ( 1.070 1.670 1.685) 2.603 15.509 ( -2.617 5.054 -0.627) 5.726 15.618 ( 2.811 2.845 -0.213) 4.005 15.966 ( -2.910 1.800 -2.003) 3.965 16.064 ( 2.207 6.246 -7.248) 9.819 16.119 ( 2.518 2.365 3.458) 4.888 16.329 ( 3.340 0.038 2.159) 3.977 16.800 ( 2.574 4.783 3.971) 6.729 17.048 ( -1.790 7.140 -0.900) 7.416 17.187 ( -4.605 1.736 2.796) 5.660 17.507 ( 1.660 -1.259 -4.659) 5.104 20.476 ( 1.033 7.394 -4.996) 8.983 20.533 ( -0.502 1.822 -2.993) 3.539 20.722 ( -1.276 0.099 4.198) 4.388 20.987 ( 0.685 -4.155 -2.262) 4.780 25.325 ( 0.521 0.720 1.079) 1.398 25.415 ( -0.394 1.428 -0.052) 1.482 25.458 ( 0.612 -1.212 -0.898) 1.628 25.488 ( 0.639 0.141 -1.018) 1.210 26.168 ( -0.559 -0.556 0.530) 0.951 26.401 ( 0.175 15.237 -13.691) 20.485 26.746 ( 11.861 1.505 -2.657) 12.248 26.893 ( 0.450 -2.050 0.992) 2.322 26.936 ( -20.265 6.207 -7.232) 22.394 27.167 ( -2.231 2.798 -1.678) 3.953 27.234 ( -4.584 5.952 -1.464) 7.654 27.355 ( -4.156 5.929 -11.415) 13.517 27.775 ( -0.044 1.244 2.087) 2.430 27.897 ( 6.688 0.597 5.444) 8.644 27.992 ( -1.946 -0.866 -2.054) 2.959 28.009 ( 1.376 -0.159 -1.176) 1.817 28.246 ( 6.268 1.796 6.801) 9.422 28.556 ( 0.788 7.036 -0.999) 7.150 28.759 ( -4.573 -3.279 12.567) 13.769 29.359 ( 1.303 -4.050 -1.019) 4.375 29.445 ( 3.408 0.881 0.236) 3.528 29.506 ( -1.195 1.836 2.479) 3.308 29.605 ( -0.770 -2.444 2.612) 3.659 29.741 ( 6.293 -7.912 -7.720) 12.720 30.830 ( 17.290 -4.902 19.322) 26.387 31.673 ( -3.981 -11.952 -3.928) 13.196 32.055 ( -14.974 -16.378 18.119) 28.648 32.553 ( 0.383 -10.104 -1.366) 10.203 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 14.777 9.189 23.404) 29.164 1.449 ( 23.213 11.929 18.122) 31.773 2.126 ( 4.520 6.535 -0.552) 7.965 2.209 ( 4.662 -8.025 -2.280) 9.556 2.283 ( 13.486 7.056 25.179) 29.422 2.406 ( 9.684 3.070 -4.707) 11.197 2.516 ( -2.578 4.722 2.066) 5.763 2.539 ( 11.156 1.698 -6.518) 13.031 2.639 ( 13.380 2.569 3.605) 14.093 2.793 ( 13.285 4.778 1.213) 14.170 2.900 ( 7.075 7.356 0.983) 10.253 3.077 ( 2.749 -5.453 8.039) 10.095 3.189 ( 6.122 -2.014 -2.421) 6.884 3.280 ( 0.233 3.473 -5.845) 6.803 3.492 ( -2.076 4.631 5.852) 7.746 3.645 ( -4.489 -0.444 -0.304) 4.521 3.735 ( 0.540 1.353 2.097) 2.554 3.831 ( -4.007 -1.101 5.528) 6.916 4.089 ( 0.983 -0.064 4.965) 5.062 4.155 ( -0.414 -2.042 4.482) 4.942 4.260 ( -8.867 -5.243 5.631) 11.740 4.355 ( 2.545 -5.960 0.569) 6.506 4.478 ( 2.343 0.511 -0.505) 2.450 4.619 ( -2.225 -0.595 -2.612) 3.482 4.631 ( -5.975 -3.409 2.936) 7.479 4.724 ( 4.556 -0.390 -1.606) 4.846 4.822 ( -5.049 2.583 0.441) 5.688 4.904 ( -5.990 7.002 1.535) 9.341 5.136 ( -10.280 -0.142 -11.895) 15.722 5.204 ( 13.177 6.810 1.032) 14.869 5.374 ( 4.964 3.189 1.638) 6.123 5.442 ( 8.891 -4.020 -3.243) 10.283 5.688 ( 4.188 -0.161 0.634) 4.239 5.805 ( 5.256 3.062 -1.550) 6.278 5.942 ( -5.257 -1.059 -11.517) 12.704 6.091 ( -1.193 -0.042 -7.532) 7.626 6.162 ( -1.557 3.070 -5.669) 6.633 6.222 ( 4.378 3.565 -10.900) 12.275 6.530 ( -0.978 -0.429 2.714) 2.917 6.549 ( 2.187 -0.660 4.618) 5.153 6.612 ( 3.341 0.376 5.637) 6.563 6.816 ( -9.533 0.523 -7.425) 12.095 6.839 ( -3.299 3.150 5.788) 7.370 6.958 ( -3.042 0.332 1.702) 3.502 7.039 ( 1.517 1.041 7.228) 7.458 7.259 ( -0.995 -0.105 -4.814) 4.917 7.419 ( 8.409 -0.433 -11.711) 14.424 7.560 ( -6.410 -0.580 3.706) 7.427 7.798 ( -3.201 0.707 3.336) 4.677 7.821 ( -3.942 0.860 -1.535) 4.317 7.989 ( 2.950 -6.251 -2.451) 7.334 8.089 ( -2.203 -5.156 -4.000) 6.887 8.335 ( -3.234 2.427 -1.085) 4.186 8.458 ( 6.269 -1.806 4.180) 7.748 8.650 ( -10.834 -3.470 -1.095) 11.429 8.722 ( -10.566 -4.832 3.265) 12.068 9.184 ( -3.885 -1.133 4.010) 5.697 9.261 ( -3.443 -4.635 3.714) 6.865 9.391 ( 1.297 -3.246 5.536) 6.547 9.516 ( 0.278 -11.303 2.145) 11.508 9.659 ( -5.541 0.887 -4.538) 7.217 9.717 ( 4.487 -1.694 1.024) 4.904 9.976 ( 2.849 6.547 -2.753) 7.652 10.117 ( -1.498 -4.451 -4.818) 6.728 10.319 ( -1.627 -1.430 -3.395) 4.027 10.484 ( -10.563 0.906 1.794) 10.753 10.639 ( -10.387 -3.426 9.961) 14.794 10.762 ( -15.889 -1.732 4.013) 16.479 11.269 ( -4.900 3.310 -3.809) 7.034 11.355 ( -1.167 -0.165 -0.231) 1.201 11.535 ( -7.529 1.633 3.170) 8.330 11.701 ( 5.193 -0.768 -5.688) 7.740 11.839 ( 4.422 -3.730 3.739) 6.888 12.076 ( 1.213 0.749 1.786) 2.285 12.358 ( -0.660 1.587 -5.411) 5.677 12.400 ( -2.763 -1.658 1.598) 3.597 12.595 ( -6.379 -0.019 -1.394) 6.529 12.811 ( 5.176 -0.812 -0.818) 5.303 13.017 ( -3.319 -2.642 3.435) 5.459 13.235 ( 1.189 -3.040 -6.526) 7.297 13.503 ( 7.392 0.273 -1.635) 7.575 13.597 ( 6.454 1.674 -2.304) 7.055 13.677 ( 11.371 2.817 -3.418) 12.204 13.877 ( 14.947 -4.175 0.551) 15.529 14.235 ( -1.053 1.767 1.877) 2.785 14.417 ( 10.254 -2.944 -1.379) 10.757 14.602 ( 1.542 -2.300 -2.615) 3.808 14.903 ( 16.385 -14.403 -1.098) 21.843 15.343 ( -0.696 1.166 2.045) 2.455 15.414 ( -1.030 2.970 2.285) 3.886 15.482 ( -0.033 4.328 0.366) 4.344 15.652 ( 1.413 3.829 -1.305) 4.285 15.912 ( -1.789 4.934 1.106) 5.364 16.056 ( -0.430 4.844 -2.212) 5.342 16.179 ( 4.581 -2.328 0.973) 5.230 16.416 ( 2.975 3.895 -1.358) 5.086 16.916 ( 5.224 0.257 -1.612) 5.473 17.047 ( 0.358 3.962 -2.024) 4.463 17.145 ( -0.911 3.643 3.788) 5.334 17.552 ( 7.032 0.570 -4.308) 8.266 20.419 ( -3.747 5.223 -1.591) 6.622 20.469 ( -4.373 3.091 -2.319) 5.836 20.665 ( -6.713 -0.813 4.212) 7.967 20.907 ( -6.844 -3.284 -2.958) 8.147 25.350 ( 0.973 -0.064 1.404) 1.710 25.409 ( -0.044 0.598 -0.925) 1.103 25.454 ( -0.365 -0.480 -0.854) 1.045 25.495 ( 1.025 -1.013 -1.128) 1.830 26.151 ( -1.399 1.541 1.096) 2.352 26.265 ( -3.433 14.224 -7.982) 16.668 26.666 ( -8.131 1.893 2.787) 8.801 26.774 ( -11.336 0.799 -1.183) 11.425 26.960 ( 6.258 -1.528 4.085) 7.628 27.107 ( -3.174 4.024 -2.331) 5.630 27.138 ( 3.634 1.065 -5.296) 6.510 27.374 ( 6.586 2.961 -1.549) 7.385 27.803 ( 1.133 0.343 1.532) 1.936 27.937 ( -0.297 -0.530 -1.550) 1.665 28.021 ( 3.821 0.482 -2.014) 4.346 28.087 ( 5.532 0.233 1.141) 5.653 28.414 ( 7.366 6.630 4.850) 11.033 28.596 ( 5.349 3.306 -1.864) 6.559 28.772 ( -2.235 0.490 9.784) 10.048 29.340 ( -3.060 -0.634 -0.189) 3.130 29.425 ( -3.628 2.655 0.698) 4.550 29.568 ( 3.631 1.012 2.876) 4.741 29.621 ( 1.485 -0.386 -0.976) 1.819 29.823 ( 7.673 -7.095 -8.415) 13.418 31.241 ( 15.930 -14.516 4.141) 21.946 31.513 ( -12.883 -12.846 3.093) 18.454 31.793 ( -20.562 -2.564 8.885) 22.546 32.498 ( -5.637 -7.587 1.231) 9.532 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 7.541 -2.649 21.697) 23.122 1.917 ( 12.037 2.620 7.190) 14.263 2.121 ( -1.377 -4.406 -5.275) 7.009 2.320 ( 5.912 3.061 5.673) 8.747 2.383 ( -0.243 2.232 -4.944) 5.430 2.503 ( 4.720 -0.709 5.683) 7.422 2.587 ( 4.895 9.245 2.790) 10.827 2.698 ( 1.465 8.402 -3.573) 9.247 2.995 ( 2.278 0.917 4.355) 4.999 3.053 ( 20.558 2.277 4.051) 21.077 3.145 ( 0.348 -2.649 -3.141) 4.124 3.218 ( 15.864 7.826 -0.003) 17.689 3.300 ( 14.485 -0.697 1.971) 14.635 3.377 ( 11.863 -0.188 -6.006) 13.298 3.509 ( -2.391 1.711 1.845) 3.471 3.598 ( 4.624 6.634 9.171) 12.227 3.783 ( 4.405 0.807 2.027) 4.916 3.896 ( 5.353 1.227 6.224) 8.301 3.995 ( -11.874 -0.237 1.945) 12.034 4.124 ( -5.531 -0.871 4.905) 7.444 4.283 ( 4.420 -2.292 6.910) 8.517 4.419 ( 0.384 -4.875 -0.305) 4.900 4.471 ( -0.241 2.026 0.113) 2.043 4.541 ( -0.487 -4.056 -2.535) 4.808 4.579 ( -2.258 4.211 2.353) 5.326 4.750 ( -4.706 2.824 3.877) 6.719 4.840 ( -0.275 -0.504 -5.772) 5.800 4.849 ( 2.138 -0.830 1.607) 2.801 4.947 ( 5.167 3.234 -2.892) 6.747 5.355 ( -0.168 -1.528 -2.194) 2.678 5.508 ( 7.597 4.537 -3.825) 9.640 5.599 ( 9.790 -2.204 -0.718) 10.061 5.687 ( 0.783 -8.962 -1.936) 9.202 5.867 ( 5.916 -0.724 -1.183) 6.076 5.932 ( 1.702 1.420 -7.435) 7.758 5.973 ( -1.730 3.789 -2.244) 4.731 6.133 ( 2.979 2.158 -4.006) 5.439 6.220 ( 2.712 3.738 -8.636) 9.794 6.469 ( -11.987 2.632 -4.565) 13.094 6.512 ( -2.517 -3.537 5.277) 6.833 6.685 ( -0.078 2.679 4.419) 5.168 6.713 ( -3.586 -0.477 2.996) 4.697 6.798 ( -6.775 0.907 1.600) 7.020 6.942 ( 7.105 2.431 2.311) 7.856 7.105 ( -4.597 -0.802 9.837) 10.888 7.135 ( -8.268 -1.444 1.480) 8.522 7.411 ( -9.088 0.903 2.129) 9.378 7.501 ( 4.213 -2.584 -10.314) 11.437 7.734 ( -2.752 0.308 -1.370) 3.089 7.784 ( 0.189 1.627 -1.262) 2.067 7.992 ( -0.877 -2.806 -4.510) 5.384 8.046 ( 1.107 -3.675 -2.126) 4.388 8.211 ( -9.775 -0.259 0.057) 9.778 8.382 ( -8.699 -3.559 -5.043) 10.666 8.492 ( -5.145 1.934 -0.192) 5.500 8.689 ( 0.850 -4.807 6.735) 8.318 9.057 ( -7.910 -5.737 2.059) 9.986 9.299 ( -2.503 -5.005 0.586) 5.627 9.378 ( -3.434 -0.831 -4.073) 5.392 9.440 ( 0.954 -1.710 3.941) 4.401 9.678 ( 5.938 -1.208 -2.987) 6.756 9.802 ( 3.736 -4.815 3.861) 7.215 9.946 ( -3.005 -0.319 -7.702) 8.273 10.106 ( 1.472 -0.871 -0.076) 1.712 10.221 ( -7.321 3.489 2.845) 8.594 10.341 ( -6.279 -1.066 2.263) 6.759 10.460 ( -12.846 0.437 -0.006) 12.854 10.554 ( -8.180 3.104 6.021) 10.621 11.208 ( -2.272 1.724 2.049) 3.512 11.323 ( -0.742 -2.309 -2.486) 3.473 11.501 ( -0.981 1.924 2.298) 3.153 11.747 ( 4.357 -0.210 -6.140) 7.531 11.932 ( 2.544 -1.830 2.406) 3.951 12.121 ( 1.461 -7.487 -0.228) 7.632 12.309 ( 0.561 0.565 -10.358) 10.388 12.419 ( 1.712 -1.362 8.296) 8.580 12.451 ( -7.849 1.626 3.629) 8.799 12.892 ( 4.300 -4.267 -2.926) 6.727 12.996 ( -1.350 -2.585 3.470) 4.533 13.177 ( -1.765 -4.387 -6.272) 7.855 13.594 ( 2.747 3.977 0.620) 4.873 13.720 ( 8.605 2.835 -0.736) 9.090 13.955 ( 16.999 3.277 1.773) 17.403 14.100 ( 9.380 -2.530 -1.694) 9.862 14.241 ( -0.129 1.419 2.481) 2.861 14.615 ( 9.878 -3.080 -5.352) 11.649 14.625 ( 4.719 -2.389 -1.085) 5.399 15.148 ( 9.074 -11.719 -0.170) 14.823 15.353 ( -1.340 -1.514 3.065) 3.672 15.417 ( 1.796 -0.264 1.242) 2.200 15.486 ( -0.027 4.280 0.215) 4.285 15.646 ( -1.101 2.657 -1.807) 3.397 15.912 ( -0.560 5.091 2.777) 5.826 16.014 ( -2.432 1.791 -1.112) 3.218 16.288 ( 7.660 1.992 -3.289) 8.571 16.422 ( -0.394 3.670 -2.231) 4.313 16.922 ( -2.932 -3.475 -2.146) 5.028 16.988 ( -2.973 -0.588 -0.482) 3.069 17.241 ( 6.699 9.670 2.147) 11.958 17.689 ( 9.648 3.197 -2.393) 10.442 20.322 ( -5.452 1.002 -1.440) 5.728 20.366 ( -5.402 3.187 0.861) 6.331 20.576 ( -4.820 -1.345 2.136) 5.441 20.728 ( -8.695 -1.479 -3.529) 9.500 25.369 ( 0.018 -1.802 0.797) 1.970 25.397 ( -0.088 -1.082 -1.593) 1.927 25.443 ( -0.168 0.142 -0.106) 0.244 25.512 ( 1.614 -1.240 -0.884) 2.219 26.125 ( -1.913 4.973 -0.818) 5.391 26.218 ( 1.371 8.335 0.791) 8.484 26.482 ( -10.663 1.442 -4.272) 11.577 26.629 ( -5.136 3.561 2.826) 6.859 27.005 ( -2.201 3.723 4.012) 5.899 27.150 ( 4.936 -2.688 3.729) 6.745 27.205 ( 4.663 0.273 0.014) 4.671 27.502 ( 6.907 -1.029 0.163) 6.985 27.829 ( 1.250 1.179 -0.009) 1.718 27.941 ( 1.547 0.482 -1.753) 2.388 28.074 ( 3.878 0.762 -3.417) 5.224 28.152 ( 1.501 1.744 -0.045) 2.301 28.564 ( 7.203 7.622 0.284) 10.490 28.664 ( 3.241 2.898 -4.718) 6.415 28.886 ( 5.053 -0.917 11.807) 12.876 29.259 ( -5.226 0.927 0.339) 5.318 29.343 ( -5.912 4.666 0.710) 7.564 29.643 ( 2.277 -2.606 -0.083) 3.462 29.668 ( 4.782 0.700 1.128) 4.963 29.875 ( 3.277 -3.974 -5.338) 7.418 31.256 ( -18.678 -6.977 8.152) 21.541 31.471 ( 6.477 -11.247 -5.803) 14.217 31.545 ( -5.635 -3.246 1.814) 6.752 32.364 ( -9.237 -8.968 0.558) 12.887 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -3.473 -4.420 6.491) 8.587 2.019 ( 0.586 -3.805 -1.478) 4.123 2.075 ( -4.050 -5.429 4.131) 7.933 2.358 ( -0.792 1.718 1.659) 2.516 2.427 ( 0.730 5.034 0.385) 5.102 2.618 ( -0.530 4.199 -3.614) 5.566 2.650 ( 4.557 6.265 0.602) 7.770 2.730 ( 2.196 16.758 10.600) 19.951 2.954 ( -6.203 -2.214 3.456) 7.438 3.141 ( 5.170 -1.052 -3.972) 6.604 3.290 ( 0.345 3.609 0.097) 3.627 3.334 ( 0.617 5.433 -0.988) 5.556 3.481 ( 5.082 0.140 4.926) 7.079 3.560 ( 8.203 -0.282 -1.941) 8.435 3.576 ( 4.329 -0.945 5.373) 6.965 3.669 ( -1.678 2.459 0.794) 3.081 3.771 ( -3.316 1.641 -0.320) 3.714 4.004 ( -2.133 3.860 -0.504) 4.439 4.042 ( 4.130 3.253 3.401) 6.262 4.212 ( 13.150 3.985 7.721) 15.762 4.278 ( -2.327 2.212 1.725) 3.644 4.398 ( -4.330 -4.064 -0.555) 5.964 4.450 ( -4.686 -1.624 2.864) 5.727 4.545 ( 3.015 -1.394 -1.744) 3.751 4.634 ( 1.453 -3.941 0.681) 4.255 4.710 ( -2.562 1.171 6.770) 7.333 4.808 ( -2.565 4.175 1.798) 5.220 4.909 ( 4.109 -0.758 -1.053) 4.308 5.204 ( 19.402 -1.811 -0.037) 19.486 5.246 ( 1.219 1.149 -3.690) 4.052 5.615 ( 8.774 -5.058 1.849) 10.295 5.663 ( -17.901 -2.888 -2.835) 18.353 5.709 ( -0.571 -3.134 -4.908) 5.851 5.832 ( 5.801 0.205 -9.454) 11.094 5.911 ( 4.698 4.093 7.837) 10.012 6.059 ( 8.034 -2.385 -6.130) 10.383 6.201 ( 5.391 -0.310 -4.466) 7.007 6.221 ( 4.233 1.763 -3.003) 5.481 6.371 ( -6.609 2.512 4.338) 8.295 6.486 ( -6.044 -5.761 5.669) 10.092 6.552 ( -8.400 0.587 -0.064) 8.420 6.587 ( 0.882 1.190 -2.688) 3.070 6.819 ( -9.977 0.398 1.198) 10.056 6.896 ( -2.643 -0.147 5.812) 6.386 7.055 ( 0.351 2.251 4.377) 4.934 7.153 ( -4.151 1.509 8.154) 9.274 7.221 ( -8.817 4.419 -6.354) 11.732 7.544 ( 9.719 -1.878 -1.994) 10.097 7.707 ( 0.422 -0.555 -0.537) 0.880 7.783 ( 1.376 1.091 -2.504) 3.058 7.971 ( 2.862 -4.901 -5.303) 7.768 8.022 ( -3.235 -2.208 -2.258) 4.520 8.060 ( -4.826 -0.794 -1.581) 5.140 8.238 ( -3.242 -5.177 -3.259) 6.924 8.431 ( -1.019 2.420 -1.705) 3.131 8.712 ( -2.377 0.022 0.859) 2.527 8.972 ( -2.832 -7.442 2.177) 8.255 9.186 ( -3.577 -10.542 -1.374) 11.217 9.380 ( 1.402 2.885 -0.990) 3.356 9.522 ( 4.693 -0.608 -0.548) 4.764 9.755 ( 1.296 0.214 -4.738) 4.917 9.779 ( -2.529 3.707 -3.624) 5.768 9.944 ( 5.027 -4.891 5.008) 8.618 10.081 ( -5.381 0.060 0.129) 5.383 10.156 ( -2.122 -1.518 7.587) 8.023 10.245 ( -4.073 4.460 -3.583) 7.023 10.282 ( -4.686 1.045 -0.159) 4.804 10.522 ( -1.192 1.598 5.709) 6.047 11.190 ( -2.109 0.063 4.014) 4.535 11.299 ( 0.416 -3.254 -2.602) 4.187 11.511 ( 0.526 2.496 1.517) 2.968 11.768 ( 2.437 0.584 -5.107) 5.688 11.941 ( -0.899 -2.490 -4.294) 5.045 12.129 ( -0.346 -3.746 -3.999) 5.490 12.252 ( 0.602 0.427 -4.908) 4.963 12.331 ( -5.763 0.527 4.411) 7.277 12.579 ( 5.747 -3.923 8.826) 11.239 12.902 ( -0.665 -7.050 -3.710) 7.994 13.011 ( -0.917 -1.491 1.014) 2.023 13.127 ( 1.961 -4.533 -2.098) 5.366 13.640 ( 1.383 3.879 2.836) 5.000 13.844 ( 3.911 2.045 -0.156) 4.416 14.192 ( 2.149 -1.510 -0.439) 2.662 14.241 ( 8.525 1.793 4.571) 9.838 14.263 ( 0.515 3.276 1.293) 3.559 14.652 ( 2.849 -4.043 0.172) 4.949 14.780 ( 8.164 0.924 -5.309) 9.782 15.220 ( 0.422 -3.600 -1.102) 3.789 15.315 ( -3.154 -2.098 2.542) 4.562 15.459 ( -0.903 -1.306 -0.363) 1.629 15.531 ( 3.480 -3.289 1.044) 4.901 15.588 ( -2.375 0.713 -1.652) 2.980 15.899 ( -2.837 3.632 1.677) 4.904 15.978 ( 0.193 2.412 -1.544) 2.870 16.349 ( -1.506 8.686 -5.554) 10.420 16.422 ( 6.574 -0.172 -4.772) 8.126 16.811 ( -6.452 -6.093 1.610) 9.019 16.982 ( 1.422 -2.253 -0.132) 2.668 17.386 ( 6.300 12.515 4.730) 14.788 17.821 ( 4.533 4.603 -1.000) 6.537 20.234 ( -2.076 -0.469 -1.008) 2.355 20.284 ( -4.089 -0.802 0.614) 4.212 20.536 ( -0.724 -0.356 0.763) 1.111 20.590 ( -2.594 -0.009 -2.435) 3.558 25.366 ( -0.511 -2.516 0.088) 2.569 25.389 ( 0.593 -2.265 -1.374) 2.715 25.447 ( 0.334 -0.043 0.607) 0.695 25.534 ( 0.995 -2.218 -0.463) 2.475 26.091 ( -0.637 5.176 -0.908) 5.293 26.287 ( -1.986 8.080 -3.621) 9.074 26.295 ( 0.434 2.811 2.433) 3.743 26.565 ( -3.398 4.548 0.693) 5.719 27.018 ( -0.605 3.926 6.944) 8.000 27.264 ( 3.060 -2.679 6.290) 7.490 27.285 ( 1.611 -0.944 5.306) 5.625 27.595 ( 2.497 -3.180 0.155) 4.046 27.853 ( 1.374 3.641 -0.759) 3.964 27.955 ( 1.327 0.583 -1.797) 2.309 28.092 ( 1.277 2.111 -4.642) 5.257 28.176 ( 1.294 1.116 0.049) 1.710 28.661 ( 3.201 3.911 -4.298) 6.634 28.681 ( 2.153 6.751 -3.140) 7.750 29.014 ( -0.610 -2.259 8.067) 8.400 29.173 ( -3.428 1.466 -0.132) 3.730 29.237 ( -5.067 6.407 0.923) 8.220 29.692 ( 2.695 -4.154 0.995) 5.050 29.762 ( 4.581 -2.074 -0.838) 5.098 29.863 ( -1.724 -1.707 -1.066) 2.650 30.977 ( -16.031 -1.548 3.852) 16.560 31.400 ( 1.899 -2.181 -9.003) 9.456 31.654 ( 5.927 -13.978 3.837) 15.660 32.200 ( -6.410 -8.686 -3.109) 11.234 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -15.752 3.273 7.648) 17.814 1.929 ( -14.790 4.478 2.257) 15.617 2.012 ( 0.762 1.523 -6.452) 6.673 2.302 ( -2.458 -1.819 -0.188) 3.064 2.462 ( 0.493 3.462 1.745) 3.908 2.540 ( -1.984 7.371 -0.024) 7.633 2.743 ( 4.183 9.157 0.188) 10.069 2.779 ( -6.237 5.390 6.171) 10.297 2.861 ( -5.781 -3.301 0.046) 6.657 3.206 ( 0.770 0.662 0.042) 1.016 3.241 ( -5.082 3.846 1.848) 6.636 3.352 ( 1.518 3.809 2.997) 5.079 3.460 ( -7.676 3.569 3.166) 9.038 3.551 ( -6.577 1.334 0.883) 6.768 3.636 ( -0.692 -0.922 1.225) 1.682 3.717 ( -2.011 1.531 -1.309) 2.846 3.815 ( 0.757 4.222 5.624) 7.074 3.919 ( -11.743 2.792 4.246) 12.795 3.938 ( -4.356 -0.475 0.408) 4.400 4.266 ( 1.717 1.450 -7.175) 7.519 4.287 ( -2.264 0.739 -0.171) 2.388 4.347 ( -5.986 -2.717 6.812) 9.467 4.491 ( -8.213 1.673 -0.710) 8.412 4.516 ( 2.760 -5.940 1.507) 6.721 4.620 ( 2.834 -2.031 2.475) 4.276 4.736 ( -0.747 -2.207 7.340) 7.701 4.754 ( 1.634 4.478 0.276) 4.774 4.998 ( 1.702 -1.254 4.048) 4.567 5.216 ( -18.924 -0.014 -2.449) 19.082 5.372 ( 11.943 -4.184 -1.493) 12.743 5.612 ( 17.551 2.779 -5.085) 18.483 5.649 ( -3.512 -7.037 -3.777) 8.725 5.801 ( -2.301 -2.666 -8.170) 8.897 5.853 ( -0.423 -2.940 8.230) 8.750 5.990 ( 3.800 3.401 4.673) 6.917 6.112 ( -9.576 -0.718 -0.379) 9.610 6.170 ( 10.886 1.795 -10.923) 15.525 6.238 ( -2.510 1.594 0.799) 3.079 6.309 ( 7.136 1.153 -3.116) 7.871 6.408 ( -5.352 -1.715 -2.651) 6.214 6.479 ( -1.544 6.199 1.479) 6.557 6.592 ( 1.534 -5.853 2.719) 6.633 6.841 ( 5.205 -1.161 8.162) 9.750 6.886 ( -5.192 -2.435 0.885) 5.802 7.092 ( 2.474 5.383 0.174) 5.927 7.099 ( -0.274 -1.668 5.098) 5.371 7.178 ( 6.162 4.530 4.574) 8.911 7.689 ( 2.188 -0.511 -1.217) 2.555 7.758 ( 1.222 -3.460 1.348) 3.909 7.844 ( 10.271 1.130 -0.458) 10.343 7.962 ( 0.585 -4.354 -4.614) 6.371 8.001 ( 3.030 -5.905 -2.870) 7.230 8.016 ( 5.596 -0.529 -5.832) 8.099 8.186 ( -0.690 -2.760 -3.311) 4.365 8.416 ( 1.086 -0.278 -3.168) 3.360 8.609 ( -6.261 1.022 -4.672) 7.878 8.979 ( 0.899 -7.126 2.697) 7.672 9.153 ( -0.906 -8.997 -0.167) 9.044 9.407 ( 1.958 4.628 -0.297) 5.034 9.559 ( 0.032 2.157 0.341) 2.184 9.641 ( -2.627 1.445 -3.844) 4.875 9.788 ( -0.275 2.578 -3.286) 4.186 9.986 ( -5.839 -1.206 2.054) 6.306 10.099 ( 5.168 0.665 0.866) 5.282 10.151 ( -0.473 3.252 0.803) 3.383 10.219 ( 2.548 -1.175 5.693) 6.347 10.298 ( 5.862 -0.265 0.235) 5.873 10.544 ( -0.371 -1.194 1.974) 2.336 11.192 ( -1.227 -0.901 4.493) 4.744 11.321 ( 3.315 -2.479 1.031) 4.266 11.542 ( 1.653 1.480 1.324) 2.584 11.753 ( -0.257 -1.631 -6.048) 6.269 11.872 ( -1.923 0.953 -4.611) 5.086 12.018 ( -3.855 0.740 -9.211) 10.012 12.247 ( -1.639 1.028 1.811) 2.650 12.343 ( 2.769 -1.927 5.254) 6.244 12.728 ( 4.561 -5.766 3.324) 8.069 12.850 ( -0.740 -3.980 -3.231) 5.180 12.958 ( -4.316 0.344 1.049) 4.455 13.204 ( 5.178 -6.775 -0.375) 8.536 13.693 ( 1.187 2.076 4.503) 5.099 13.856 ( -1.484 0.966 -0.890) 1.982 14.163 ( -6.939 -2.716 1.689) 7.641 14.211 ( -5.003 3.159 -0.632) 5.950 14.339 ( -0.933 2.789 4.553) 5.420 14.707 ( -0.230 -3.827 -1.791) 4.232 14.839 ( 1.658 2.032 1.401) 2.973 15.170 ( -3.511 -4.681 -5.726) 8.187 15.304 ( -0.570 -1.490 2.428) 2.905 15.417 ( -3.195 -4.118 0.053) 5.212 15.487 ( -2.996 1.110 0.312) 3.210 15.609 ( 1.307 0.552 -1.706) 2.219 15.860 ( -1.566 4.902 0.385) 5.160 15.990 ( 1.353 2.297 -0.269) 2.680 16.280 ( 0.444 6.853 -6.530) 9.476 16.427 ( -2.813 -0.339 -6.093) 6.719 16.798 ( 3.237 -4.167 3.031) 6.085 17.000 ( 1.027 -0.670 -1.439) 1.891 17.527 ( 2.340 6.913 8.944) 11.544 17.814 ( -3.305 4.168 -2.503) 5.879 20.229 ( 0.880 -1.232 -0.812) 1.718 20.272 ( 4.626 -0.103 0.022) 4.627 20.533 ( 0.669 -0.396 -0.307) 0.836 20.625 ( 6.445 -1.104 -1.045) 6.621 25.353 ( -0.708 -1.735 -0.500) 1.940 25.401 ( 1.588 -2.392 -0.877) 3.002 25.459 ( -0.041 -0.084 1.250) 1.254 25.532 ( -0.614 -3.843 -1.057) 4.033 26.087 ( 0.431 3.439 -0.405) 3.489 26.214 ( 0.893 8.195 -2.289) 8.555 26.424 ( 7.589 5.957 2.165) 9.887 26.517 ( -1.363 3.692 -1.449) 4.193 27.082 ( 0.734 4.695 10.019) 11.089 27.329 ( -0.004 0.367 3.220) 3.241 27.362 ( -0.031 -3.618 12.213) 12.738 27.599 ( -1.895 -2.579 1.109) 3.387 27.852 ( -0.852 4.072 -0.934) 4.264 27.965 ( 1.197 0.780 -1.737) 2.249 28.071 ( 0.160 2.897 -4.103) 5.025 28.169 ( -1.651 0.242 -3.071) 3.495 28.571 ( -10.060 4.925 -5.530) 12.492 28.651 ( -2.500 6.441 -4.269) 8.122 29.001 ( -5.510 -2.804 6.939) 9.294 29.169 ( 3.314 1.713 0.377) 3.749 29.213 ( 1.901 6.095 0.530) 6.406 29.735 ( 0.236 -4.844 1.595) 5.106 29.772 ( -2.701 -4.855 -2.593) 6.132 29.840 ( -0.025 -0.833 0.749) 1.120 30.730 ( -11.721 1.461 -1.806) 11.949 31.451 ( 9.098 -3.931 -5.802) 11.485 31.789 ( 4.451 -14.821 6.872) 16.932 32.121 ( 2.341 -6.797 -6.332) 9.580 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -20.706 16.061 14.046) 29.732 1.523 ( -25.854 16.314 -1.106) 30.591 1.986 ( -0.308 3.667 -3.156) 4.848 2.316 ( -1.535 -4.590 2.226) 5.327 2.392 ( -5.313 6.395 -3.334) 8.958 2.534 ( -20.721 6.303 4.388) 22.098 2.591 ( -3.627 2.454 1.673) 4.688 2.728 ( -7.573 -4.656 5.134) 10.266 2.807 ( 2.327 6.004 -2.020) 6.748 2.988 ( -23.165 -2.096 2.486) 23.392 3.130 ( -12.722 -0.415 1.201) 12.786 3.256 ( -3.310 3.767 0.592) 5.050 3.369 ( -6.473 1.498 -0.764) 6.688 3.429 ( -18.485 -0.200 -1.815) 18.575 3.522 ( -0.955 12.454 11.130) 16.730 3.582 ( -6.043 2.643 -1.065) 6.681 3.710 ( -5.437 5.473 2.524) 8.117 3.990 ( 7.833 -2.474 7.043) 10.821 4.048 ( 7.894 -1.952 2.389) 8.475 4.121 ( -11.874 -3.223 0.621) 12.319 4.279 ( -2.214 0.526 9.117) 9.396 4.314 ( 5.174 -2.731 -11.860) 13.224 4.367 ( -4.897 -2.848 -0.347) 5.676 4.541 ( 2.261 -0.271 -1.549) 2.754 4.651 ( -2.276 1.405 5.414) 6.038 4.758 ( 0.328 0.077 1.439) 1.478 4.813 ( -0.026 -4.585 0.590) 4.623 5.010 ( -4.679 -2.129 3.882) 6.442 5.135 ( 9.138 6.067 4.404) 11.820 5.436 ( -8.941 -8.064 -4.239) 12.765 5.542 ( -4.734 -0.537 -2.172) 5.236 5.622 ( -5.805 2.488 2.671) 6.857 5.676 ( -4.586 -1.563 -4.108) 6.352 5.832 ( 6.256 -1.988 -8.583) 10.806 5.966 ( -5.508 1.563 -2.116) 6.104 6.102 ( 2.607 6.751 -5.996) 9.398 6.189 ( 2.701 0.086 -8.828) 9.233 6.349 ( 8.668 -2.649 2.274) 9.344 6.356 ( -0.682 6.697 0.202) 6.735 6.486 ( 9.477 3.228 1.103) 10.072 6.546 ( 8.367 1.275 2.379) 8.791 6.652 ( -4.083 -3.164 2.741) 5.848 6.804 ( -1.117 -5.070 8.040) 9.570 6.896 ( 2.661 -3.929 -0.903) 4.830 7.135 ( 1.527 5.229 -2.362) 5.937 7.273 ( 7.705 -5.180 3.183) 9.815 7.382 ( 9.003 1.141 8.558) 12.474 7.690 ( -1.504 1.504 -0.603) 2.211 7.774 ( 2.698 -4.608 0.968) 5.427 7.926 ( -1.367 -8.218 -11.230) 13.982 7.988 ( -2.193 -6.244 -2.961) 7.250 8.023 ( 10.304 -6.095 -3.685) 12.526 8.188 ( 12.307 0.049 -4.021) 12.947 8.251 ( 6.699 -5.191 4.069) 9.401 8.397 ( 2.452 2.677 1.962) 4.127 8.512 ( -0.485 2.635 -2.602) 3.735 9.006 ( 0.881 -5.714 -0.917) 5.854 9.135 ( -0.609 -7.198 1.860) 7.460 9.435 ( 0.436 4.108 -0.488) 4.160 9.574 ( -0.452 1.485 4.493) 4.754 9.643 ( 6.365 10.174 -0.632) 12.018 9.726 ( -3.657 1.646 -2.424) 4.685 9.891 ( -3.913 0.752 -2.366) 4.634 10.051 ( -2.248 5.854 -0.468) 6.288 10.291 ( 6.584 -4.296 2.411) 8.222 10.359 ( 8.382 1.015 2.363) 8.768 10.393 ( 1.896 -2.552 -2.871) 4.284 10.573 ( 4.312 -1.416 2.886) 5.379 11.209 ( -0.142 -1.625 3.898) 4.226 11.447 ( 7.381 -0.945 5.368) 9.175 11.584 ( 1.083 -0.623 1.541) 1.984 11.661 ( -2.965 -5.266 -7.877) 9.928 11.798 ( -3.234 2.673 -3.913) 5.737 11.948 ( 2.167 8.672 -2.340) 9.240 12.238 ( -0.065 -0.959 1.521) 1.799 12.460 ( 5.929 -2.067 3.968) 7.428 12.750 ( 0.672 -4.865 -6.071) 7.809 12.864 ( -4.443 0.424 7.142) 8.422 12.900 ( 2.160 0.281 -2.618) 3.406 13.272 ( 2.750 -7.188 -1.814) 7.907 13.721 ( -1.601 -1.235 1.492) 2.513 13.802 ( -4.294 3.640 0.930) 5.706 13.954 ( -14.236 -0.842 1.468) 14.336 14.146 ( -3.237 -2.167 2.408) 4.579 14.297 ( -6.609 2.960 3.316) 7.964 14.562 ( -10.216 -4.697 -6.407) 12.942 14.859 ( -4.833 -1.930 6.822) 8.581 14.977 ( -10.500 -8.789 -10.495) 17.252 15.316 ( -0.415 -0.133 3.041) 3.072 15.378 ( -1.623 -1.399 1.063) 2.392 15.474 ( 1.398 2.834 0.468) 3.194 15.596 ( 0.042 2.953 -3.246) 4.388 15.866 ( 1.626 6.835 1.997) 7.304 16.011 ( 1.040 1.352 -0.307) 1.733 16.250 ( -1.849 4.457 -6.919) 8.436 16.324 ( -0.291 3.378 -3.566) 4.921 16.866 ( 1.215 -4.364 -1.497) 4.771 17.030 ( 3.631 1.335 -0.111) 3.871 17.543 ( -7.120 -2.624 5.868) 9.592 17.709 ( -5.526 0.868 -3.773) 6.747 20.284 ( 6.195 2.108 -1.003) 6.620 20.412 ( 8.833 1.676 1.340) 9.090 20.556 ( 2.223 -0.520 -1.662) 2.823 20.770 ( 9.522 -3.157 -1.467) 10.138 25.334 ( -0.883 -0.275 -0.605) 1.105 25.429 ( 1.585 -1.930 -0.476) 2.543 25.457 ( -0.927 0.538 0.766) 1.318 25.504 ( -0.994 -3.609 -1.726) 4.122 26.105 ( 1.627 1.943 0.752) 2.644 26.282 ( 7.710 13.923 -2.391) 16.094 26.491 ( 1.060 -0.217 -2.919) 3.113 26.606 ( 9.818 3.367 1.547) 10.494 27.184 ( 2.158 5.869 8.983) 10.945 27.311 ( -3.769 1.404 0.949) 4.133 27.454 ( 0.238 -2.213 12.471) 12.668 27.580 ( -1.373 -0.238 4.159) 4.386 27.818 ( -1.616 1.982 -1.168) 2.812 27.955 ( -2.150 0.834 -2.961) 3.753 28.024 ( -2.657 2.862 -5.086) 6.413 28.081 ( -2.458 0.867 -4.649) 5.330 28.265 ( -16.545 5.271 -4.867) 18.034 28.563 ( -2.694 7.161 -2.433) 8.028 28.929 ( -8.580 -2.828 8.835) 12.636 29.269 ( 5.736 0.838 0.912) 5.868 29.283 ( 4.739 4.148 -0.728) 6.340 29.691 ( -4.916 -4.223 1.446) 6.640 29.708 ( -4.309 -3.907 0.534) 5.841 29.814 ( -1.324 -5.616 -5.925) 8.270 30.528 ( -8.723 5.602 0.622) 10.385 31.607 ( 10.133 -6.271 -3.933) 12.549 31.918 ( 3.168 -16.217 9.899) 19.262 32.209 ( 11.164 -6.244 -3.959) 13.390 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -20.105 20.821 10.026) 30.631 1.219 ( -25.197 20.263 19.004) 37.505 1.830 ( -30.308 20.148 25.093) 44.206 2.035 ( -3.676 7.812 0.773) 8.668 2.271 ( -5.585 -9.641 -9.835) 14.862 2.362 ( 0.151 2.433 -2.746) 3.671 2.467 ( -9.477 -3.749 -0.819) 10.224 2.630 ( -9.873 -1.889 -0.078) 10.052 2.688 ( -7.973 0.514 2.361) 8.331 2.851 ( -7.766 6.588 3.069) 10.637 2.934 ( 1.259 1.678 4.529) 4.991 3.016 ( -16.846 -4.434 -2.260) 17.566 3.194 ( -10.031 1.963 2.562) 10.538 3.310 ( 3.696 2.709 -3.480) 5.754 3.493 ( 0.048 5.207 -4.908) 7.155 3.618 ( -0.603 11.781 7.419) 13.936 3.711 ( 0.762 8.877 13.076) 15.823 3.920 ( -7.883 -8.751 -1.172) 11.837 4.121 ( 3.042 0.780 2.256) 3.867 4.216 ( -5.864 -5.960 0.944) 8.414 4.270 ( 4.440 -5.790 5.522) 9.151 4.323 ( -1.564 -0.576 6.076) 6.300 4.401 ( 6.662 -2.944 -2.748) 7.785 4.520 ( 0.824 1.429 -3.370) 3.752 4.658 ( -0.657 1.066 0.849) 1.513 4.805 ( 2.652 -3.778 -4.271) 6.288 4.832 ( 1.380 -3.390 5.732) 6.801 4.985 ( 2.655 -1.649 -0.176) 3.131 5.194 ( -13.422 -0.683 3.698) 13.938 5.294 ( 2.912 7.568 -2.370) 8.448 5.341 ( -12.807 8.711 5.331) 16.380 5.546 ( -2.001 0.652 -8.359) 8.620 5.677 ( 5.085 1.002 -5.162) 7.315 5.843 ( -2.768 0.872 -7.638) 8.171 5.901 ( 5.853 -0.883 -3.497) 6.875 6.112 ( 4.868 -3.444 -11.196) 12.685 6.218 ( 7.340 3.480 -8.838) 12.004 6.329 ( -3.437 2.641 1.856) 4.715 6.455 ( -1.461 -3.812 1.848) 4.482 6.509 ( -4.400 1.354 2.466) 5.223 6.632 ( 4.570 1.051 9.326) 10.438 6.748 ( 5.462 3.349 -0.577) 6.432 6.841 ( 2.255 -4.876 -0.638) 5.410 6.987 ( 2.537 -1.008 0.546) 2.784 7.103 ( -2.233 2.306 -5.222) 6.130 7.335 ( 1.332 -4.431 -6.294) 7.812 7.564 ( 2.612 4.389 0.801) 5.170 7.597 ( -5.792 1.038 -3.133) 6.667 7.744 ( -5.028 -5.477 -1.139) 7.521 7.882 ( 4.753 -10.109 5.554) 12.475 7.953 ( -0.228 -1.254 -3.742) 3.953 8.150 ( 5.776 -7.157 -4.020) 10.037 8.187 ( -1.323 -4.352 -1.509) 4.792 8.447 ( -0.684 6.787 -3.560) 7.695 8.545 ( 15.873 -4.663 1.692) 16.630 8.664 ( 7.625 -9.828 21.047) 24.448 9.050 ( 5.134 -5.012 1.250) 7.283 9.150 ( -0.664 -8.157 2.215) 8.479 9.433 ( 1.244 -1.068 1.363) 2.132 9.590 ( -3.384 3.151 5.452) 7.149 9.608 ( -5.954 2.346 -0.235) 6.404 9.750 ( -2.907 3.024 -2.188) 4.731 9.925 ( 11.659 17.466 -7.416) 22.271 10.124 ( 12.171 -2.366 4.819) 13.303 10.332 ( -2.807 -4.924 -4.239) 7.078 10.428 ( 8.717 -0.745 2.411) 9.075 10.526 ( 7.351 1.742 1.141) 7.640 10.724 ( 7.971 0.179 4.360) 9.088 11.256 ( 2.240 -1.753 4.318) 5.171 11.495 ( -2.646 -2.985 -9.915) 10.687 11.630 ( 1.858 -3.086 -1.292) 3.827 11.670 ( 8.030 -0.824 4.844) 9.414 11.746 ( 1.346 2.594 -0.061) 2.923 12.043 ( 7.833 12.131 4.803) 15.218 12.284 ( 5.364 -1.849 -1.785) 5.948 12.594 ( 4.403 -4.256 0.617) 6.155 12.690 ( -5.096 -1.174 -2.406) 5.756 12.808 ( -1.987 1.393 2.520) 3.498 12.959 ( 4.007 -0.760 -1.155) 4.239 13.275 ( -0.069 -4.220 -3.297) 5.356 13.647 ( -6.860 -1.584 -1.235) 7.148 13.678 ( -9.031 2.058 -0.344) 9.269 13.740 ( -9.263 -1.480 -0.183) 9.382 13.938 ( -26.290 -10.361 -4.845) 28.670 14.227 ( -1.939 -1.122 3.110) 3.832 14.375 ( -1.962 -0.591 -1.270) 2.410 14.668 ( -12.795 -7.042 -9.022) 17.166 14.755 ( -8.927 -2.240 2.784) 9.616 15.331 ( -0.447 1.030 3.057) 3.257 15.371 ( 0.297 0.261 1.083) 1.152 15.527 ( 2.409 3.846 0.256) 4.545 15.580 ( 0.552 2.292 -1.479) 2.783 15.961 ( 6.292 6.411 4.858) 10.212 16.014 ( -0.451 0.183 -1.683) 1.752 16.133 ( -2.335 6.852 -8.123) 10.881 16.333 ( 0.236 2.639 -1.476) 3.033 16.826 ( -3.394 -3.705 -1.733) 5.315 17.089 ( 1.354 1.622 -0.881) 2.289 17.354 ( -16.094 -1.803 2.043) 16.323 17.560 ( -3.930 -1.108 -5.571) 6.907 20.417 ( 8.058 6.027 -2.780) 10.439 20.545 ( 2.882 2.139 -3.599) 5.083 20.622 ( 6.678 0.383 3.686) 7.637 20.922 ( 7.476 -4.178 -1.915) 8.776 25.319 ( -0.389 0.650 0.171) 0.777 25.429 ( -1.242 1.325 0.478) 1.878 25.455 ( 0.612 -1.886 -1.133) 2.283 25.485 ( 0.363 -0.651 -1.238) 1.444 26.149 ( 1.863 0.155 0.980) 2.111 26.414 ( 8.048 20.680 -9.118) 23.991 26.539 ( 8.066 -6.012 -0.584) 10.077 26.792 ( 8.617 0.107 0.794) 8.654 27.223 ( -3.584 3.510 -0.682) 5.063 27.259 ( -1.109 5.276 3.143) 6.241 27.443 ( -8.741 5.062 -21.179) 23.464 27.555 ( -4.821 1.904 -2.439) 5.729 27.770 ( -1.728 0.886 1.693) 2.576 27.832 ( -4.806 1.985 -3.175) 6.092 27.963 ( 1.393 -0.760 6.513) 6.704 28.042 ( -1.285 0.900 0.073) 1.570 28.085 ( -1.248 4.260 8.410) 9.510 28.541 ( 1.047 7.765 -0.379) 7.845 28.816 ( -11.135 -4.913 10.934) 16.361 29.342 ( 2.566 -1.705 -2.822) 4.178 29.367 ( 3.789 1.441 1.055) 4.189 29.568 ( -8.111 -6.118 0.650) 10.180 29.632 ( -4.126 -1.616 3.209) 5.471 29.739 ( -0.165 -5.311 -6.496) 8.393 30.499 ( 1.011 8.892 16.826) 19.058 31.709 ( 3.801 -9.650 -4.893) 11.468 32.049 ( 0.203 -17.026 14.426) 22.316 32.433 ( 12.296 -11.480 0.518) 16.830 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.093 21.478 8.719) 23.385 1.493 ( -0.318 21.287 1.627) 21.351 1.944 ( 3.410 -6.051 -4.391) 8.217 2.139 ( -1.066 -1.452 2.140) 2.797 2.269 ( 7.778 -1.092 0.567) 7.875 2.323 ( 0.445 16.477 13.722) 21.447 2.430 ( 3.668 -3.842 -3.704) 6.475 2.476 ( -6.301 -2.959 -0.563) 6.984 2.676 ( -1.471 -0.835 3.640) 4.014 2.807 ( 1.795 18.575 4.566) 19.212 2.934 ( -3.491 -6.392 3.012) 7.882 3.016 ( 2.166 4.222 -1.513) 4.981 3.045 ( -0.587 -0.502 2.607) 2.719 3.312 ( 1.455 -5.090 -3.257) 6.216 3.581 ( 2.388 2.805 -7.733) 8.566 3.645 ( -0.826 -4.648 0.250) 4.728 3.782 ( -3.662 6.085 1.009) 7.173 3.934 ( -10.722 -3.605 1.652) 11.431 4.052 ( -3.076 -3.104 -1.109) 4.508 4.111 ( 4.553 8.064 10.123) 13.719 4.225 ( -5.185 1.452 6.356) 8.331 4.322 ( -3.580 -3.128 2.443) 5.345 4.363 ( 2.000 -2.757 3.532) 4.907 4.499 ( 0.579 -8.266 3.096) 8.846 4.675 ( 1.127 -0.291 1.933) 2.256 4.765 ( -4.640 3.908 6.148) 8.637 4.864 ( 0.486 -5.096 -1.430) 5.315 5.050 ( 3.953 -1.169 3.806) 5.611 5.167 ( 7.699 6.290 0.014) 9.942 5.278 ( -12.265 3.455 3.096) 13.113 5.422 ( -3.114 3.003 -5.097) 6.686 5.526 ( -2.470 9.738 -4.606) 11.052 5.726 ( 2.879 -3.748 -1.980) 5.124 5.753 ( -4.126 0.636 -0.599) 4.218 5.955 ( 6.649 -4.788 -0.091) 8.194 5.994 ( 2.408 -5.664 -8.013) 10.104 6.260 ( 2.430 2.733 -7.804) 8.619 6.312 ( -3.517 1.189 -1.143) 3.885 6.449 ( 5.051 3.513 -0.237) 6.157 6.577 ( -0.992 -0.381 3.416) 3.577 6.625 ( 0.752 0.473 -0.849) 1.229 6.887 ( 1.879 -1.129 -2.414) 3.261 6.913 ( 2.258 2.451 9.062) 9.655 7.017 ( -5.812 0.360 -0.489) 5.843 7.052 ( -4.000 4.233 4.335) 7.260 7.242 ( 2.096 -2.080 -3.582) 4.642 7.505 ( -1.706 3.992 -4.566) 6.300 7.620 ( -2.777 -2.245 1.113) 3.740 7.715 ( -0.078 -9.109 2.214) 9.375 7.900 ( 2.736 10.694 -0.917) 11.076 7.931 ( -0.605 -10.205 -3.434) 10.784 7.968 ( 1.469 2.058 -1.568) 2.975 8.149 ( 6.771 -6.104 5.413) 10.602 8.511 ( -1.176 4.297 -3.364) 5.582 8.555 ( 1.871 -14.649 10.609) 18.183 8.670 ( -1.757 -3.293 2.236) 4.351 9.027 ( 2.600 -4.799 1.532) 5.669 9.061 ( 5.218 -6.502 4.294) 9.378 9.438 ( -2.980 0.174 -0.206) 2.992 9.477 ( -8.110 0.431 -1.971) 8.357 9.623 ( 1.285 1.738 -1.344) 2.545 9.714 ( -1.350 -1.507 -2.390) 3.131 10.102 ( -1.560 0.362 -8.366) 8.518 10.116 ( 0.342 -1.462 -3.276) 3.604 10.298 ( 4.142 3.280 -1.257) 5.431 10.577 ( 0.952 -4.704 1.033) 4.909 10.662 ( 0.763 2.666 3.849) 4.744 10.775 ( 0.915 -3.883 0.333) 4.003 11.341 ( 2.227 1.375 2.124) 3.371 11.411 ( 4.507 0.484 -7.247) 8.548 11.580 ( -1.596 -2.665 -2.255) 3.839 11.646 ( -3.460 -3.967 -8.355) 9.875 11.882 ( -1.048 5.060 -1.177) 5.300 12.153 ( 1.707 -5.885 -7.065) 9.352 12.467 ( 1.347 1.144 -4.153) 4.514 12.492 ( -0.310 2.721 -5.055) 5.749 12.596 ( -2.958 4.062 3.001) 5.853 12.776 ( -4.830 -1.983 3.359) 6.208 13.023 ( 0.922 1.632 -1.022) 2.135 13.195 ( 1.959 -3.694 -5.569) 6.964 13.429 ( -0.128 3.054 0.101) 3.058 13.527 ( -2.073 -1.056 -1.036) 2.546 13.577 ( -1.031 0.953 -0.181) 1.416 13.676 ( 0.588 -2.121 -0.866) 2.366 14.177 ( 2.383 -0.566 4.309) 4.956 14.393 ( 0.690 -7.668 3.747) 8.563 14.449 ( 1.254 3.113 -3.652) 4.960 14.619 ( -1.835 -2.105 -3.419) 4.415 15.380 ( -0.787 2.004 3.728) 4.305 15.431 ( 1.995 0.432 2.625) 3.325 15.603 ( -1.374 3.702 -0.558) 3.988 15.662 ( 3.164 1.078 0.208) 3.349 15.996 ( -2.055 2.351 0.410) 3.150 16.118 ( 0.059 2.393 0.522) 2.450 16.163 ( -2.936 0.257 2.805) 4.069 16.314 ( 4.510 -1.891 2.548) 5.514 16.922 ( 2.306 6.220 2.311) 7.025 17.113 ( 0.019 -1.074 -1.720) 2.028 17.281 ( -3.457 6.546 3.305) 8.107 17.469 ( 1.439 -2.357 -2.535) 3.749 20.577 ( -1.297 2.814 -2.086) 3.735 20.593 ( 1.930 3.615 -2.128) 4.618 20.724 ( -0.994 0.241 1.393) 1.728 20.875 ( 0.752 -6.041 -1.702) 6.321 25.348 ( 0.346 1.475 0.315) 1.547 25.418 ( -0.553 -1.424 -1.128) 1.899 25.456 ( 0.572 1.184 0.395) 1.373 25.488 ( 0.403 -0.198 -0.609) 0.757 26.177 ( -0.245 2.040 3.126) 3.741 26.399 ( 0.574 -6.740 2.259) 7.132 26.805 ( 4.767 1.651 1.283) 5.205 26.855 ( 0.042 -1.551 2.067) 2.584 27.125 ( -12.568 7.571 -15.743) 21.520 27.214 ( -3.926 1.358 -5.346) 6.770 27.380 ( -6.304 7.408 -8.400) 12.853 27.469 ( -2.631 3.753 -11.573) 12.447 27.809 ( -0.874 2.072 0.323) 2.272 27.906 ( 2.859 -0.569 2.988) 4.175 27.965 ( 1.617 -0.791 -2.777) 3.309 27.998 ( 2.345 -0.962 -1.187) 2.799 28.349 ( 7.387 7.745 10.975) 15.330 28.661 ( -1.070 -4.179 14.935) 15.546 28.743 ( 0.831 8.551 -0.086) 8.591 29.204 ( 4.933 -11.163 -1.366) 12.281 29.460 ( 0.863 0.482 2.936) 3.098 29.503 ( 0.280 -1.471 4.063) 4.330 29.582 ( -0.892 0.909 1.530) 1.990 29.628 ( 0.206 -2.446 -1.185) 2.725 30.866 ( 3.785 7.472 11.137) 13.935 31.370 ( -4.910 -14.711 2.980) 15.793 31.950 ( -3.126 1.344 1.773) 3.837 32.295 ( 2.974 -13.300 -2.335) 13.827 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 6.190 11.235 6.966) 14.597 1.770 ( 17.631 11.554 1.232) 21.115 2.051 ( 8.347 -0.573 -3.013) 8.892 2.198 ( 3.453 -0.857 3.594) 5.057 2.382 ( -2.557 -0.773 5.379) 6.006 2.450 ( 8.477 8.599 -5.176) 13.137 2.469 ( 12.286 -2.394 -2.960) 12.862 2.640 ( 20.040 -3.992 -5.431) 21.143 2.839 ( 13.935 0.861 4.850) 14.780 2.911 ( 5.430 -2.225 9.041) 10.778 2.953 ( 4.162 13.882 10.382) 17.827 3.062 ( 5.134 5.316 -1.962) 7.647 3.165 ( 6.778 1.123 1.078) 6.954 3.295 ( 3.488 -1.830 -8.406) 9.283 3.552 ( 0.528 0.582 -1.926) 2.080 3.658 ( 0.754 -0.742 1.760) 2.054 3.763 ( -0.462 3.750 8.121) 8.957 3.824 ( -2.682 3.911 2.677) 5.446 4.048 ( 2.794 -5.636 1.487) 6.464 4.136 ( -7.185 -0.827 3.155) 7.891 4.267 ( -1.660 5.314 7.343) 9.215 4.293 ( 2.833 0.651 1.474) 3.259 4.376 ( -1.076 -7.244 -0.142) 7.325 4.529 ( -0.636 -4.142 3.703) 5.592 4.637 ( -5.555 -0.927 3.442) 6.601 4.766 ( -0.788 1.812 7.146) 7.415 4.841 ( 0.052 1.000 -3.709) 3.842 5.061 ( -4.677 -3.295 1.170) 5.839 5.080 ( -9.640 5.504 -0.243) 11.103 5.335 ( 6.038 -0.817 4.525) 7.590 5.391 ( -3.971 4.052 -7.836) 9.675 5.440 ( 8.582 4.616 -0.309) 9.749 5.653 ( -4.317 -2.955 -5.439) 7.547 5.783 ( 3.300 -2.561 -1.437) 4.417 5.982 ( 2.591 1.684 -4.325) 5.315 6.069 ( 3.088 -2.454 0.660) 4.000 6.243 ( -2.034 4.355 -5.035) 6.961 6.294 ( 3.425 2.871 -3.737) 5.826 6.538 ( 3.402 0.588 0.568) 3.499 6.578 ( -3.632 3.441 -0.403) 5.019 6.592 ( 3.002 -0.826 0.165) 3.118 6.836 ( -6.106 -3.405 -0.071) 6.992 6.869 ( -7.482 3.223 0.848) 8.191 6.991 ( -5.408 2.325 8.078) 9.996 7.047 ( 2.318 0.749 5.350) 5.879 7.238 ( -2.784 -2.566 -1.085) 3.939 7.448 ( 0.218 3.756 -5.872) 6.974 7.555 ( -5.366 0.605 2.918) 6.138 7.723 ( -0.489 -7.881 1.804) 8.099 7.821 ( -2.392 -3.963 -7.072) 8.452 7.978 ( 1.605 3.344 1.258) 3.916 7.990 ( 2.565 1.559 -1.968) 3.589 8.289 ( 1.325 -5.050 2.902) 5.974 8.481 ( 0.021 2.085 -1.230) 2.420 8.511 ( -11.167 -10.651 3.493) 15.822 8.611 ( -5.037 -3.514 2.225) 6.532 9.099 ( 1.475 -7.259 5.138) 9.015 9.106 ( -6.970 -6.835 4.256) 10.650 9.360 ( -0.093 -0.828 -2.892) 3.010 9.375 ( -0.973 -2.069 -1.966) 3.015 9.636 ( 0.535 0.348 -2.244) 2.333 9.720 ( 3.338 -0.669 -2.491) 4.219 10.034 ( 1.179 -0.635 -5.596) 5.754 10.073 ( -1.644 0.348 -6.668) 6.877 10.339 ( 0.482 3.147 1.724) 3.620 10.471 ( -11.431 -1.165 1.926) 11.650 10.628 ( -6.557 0.924 1.901) 6.890 10.716 ( -6.285 -2.936 -1.174) 7.036 11.337 ( -4.881 3.092 -4.324) 7.217 11.368 ( -4.294 1.335 -0.749) 4.559 11.488 ( -1.359 -3.345 -3.146) 4.789 11.622 ( 6.363 -6.391 0.527) 9.034 11.844 ( 0.359 4.445 -0.710) 4.515 12.076 ( -3.058 -3.257 -4.672) 6.464 12.406 ( -2.225 2.735 -1.259) 3.744 12.435 ( -0.544 4.662 -5.647) 7.343 12.627 ( -5.100 3.290 0.235) 6.074 12.740 ( 1.805 -4.790 1.876) 5.452 12.978 ( -3.573 -0.992 1.615) 4.045 13.131 ( -2.637 -6.493 -4.695) 8.435 13.560 ( 9.422 4.177 1.450) 10.408 13.645 ( 9.574 2.802 -3.138) 10.457 13.720 ( 16.694 0.436 -4.594) 17.320 13.782 ( 10.074 -3.826 3.818) 11.432 14.269 ( 1.809 1.923 2.236) 3.460 14.415 ( 6.665 2.712 -1.487) 7.347 14.519 ( 1.658 -6.436 -2.958) 7.275 14.650 ( 10.022 -9.138 -1.330) 13.627 15.385 ( -1.621 2.819 3.301) 4.634 15.462 ( -0.497 0.529 1.857) 1.994 15.579 ( -0.757 4.469 0.379) 4.549 15.692 ( -0.002 -0.042 -0.966) 0.966 15.989 ( -0.110 3.363 2.827) 4.395 16.129 ( 1.584 0.125 1.371) 2.099 16.177 ( 0.881 4.129 2.810) 5.072 16.423 ( 4.800 -3.039 -0.313) 5.690 16.954 ( -1.293 3.174 1.657) 3.807 17.067 ( -3.407 -0.912 -2.255) 4.186 17.304 ( 4.154 8.907 2.212) 10.074 17.540 ( 8.322 -1.989 -2.203) 8.835 20.501 ( -5.510 3.502 -1.833) 6.781 20.570 ( -2.917 5.334 -1.912) 6.373 20.637 ( -8.114 -1.764 2.419) 8.648 20.811 ( -5.652 -5.596 -1.984) 8.197 25.351 ( -0.519 0.284 0.448) 0.742 25.390 ( -1.331 -1.554 -1.268) 2.407 25.467 ( 0.154 1.100 0.091) 1.114 25.488 ( 0.251 -0.091 -0.341) 0.433 26.208 ( 0.543 4.131 4.653) 6.246 26.395 ( -2.244 -1.262 -0.819) 2.702 26.746 ( -10.170 3.476 -1.803) 10.898 26.781 ( -8.530 -0.033 -0.020) 8.530 26.978 ( 5.551 4.095 -2.297) 7.270 27.133 ( 2.359 -1.019 -7.112) 7.562 27.236 ( -4.483 6.568 -2.177) 8.245 27.404 ( 0.650 -0.522 -2.821) 2.941 27.826 ( 2.178 1.901 -0.325) 2.909 27.915 ( 1.739 -1.571 -1.746) 2.922 28.039 ( 4.611 1.124 -1.905) 5.115 28.083 ( 5.925 -0.677 0.184) 5.967 28.603 ( 11.485 9.558 7.924) 16.913 28.702 ( 0.417 7.023 1.360) 7.166 28.785 ( 0.491 1.683 4.502) 4.831 29.301 ( 4.079 -5.672 -2.876) 7.555 29.471 ( -1.290 0.594 1.943) 2.407 29.536 ( 0.515 -5.082 4.438) 6.767 29.626 ( 0.796 -2.052 -2.011) 2.981 29.649 ( 6.218 -1.619 1.345) 6.564 31.020 ( 3.639 -3.697 11.109) 12.261 31.265 ( -8.055 -11.157 1.759) 13.873 31.820 ( -10.545 4.486 -0.801) 11.488 32.256 ( -5.289 -13.989 -1.412) 15.022 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 5.600 2.357 8.887) 10.766 1.889 ( 4.289 -3.980 -7.529) 9.536 2.068 ( -6.501 0.527 3.343) 7.329 2.321 ( -0.099 -7.157 1.343) 7.283 2.406 ( 8.740 7.267 3.621) 11.929 2.617 ( 10.622 6.609 0.022) 12.510 2.708 ( 6.083 5.326 -7.408) 10.966 2.900 ( 9.494 4.958 -0.042) 10.711 2.984 ( 6.084 -2.168 3.456) 7.326 3.076 ( 4.656 -1.246 3.837) 6.161 3.118 ( 8.898 1.351 -3.399) 9.620 3.269 ( 11.811 -2.504 0.138) 12.074 3.326 ( 14.726 2.910 -3.723) 15.465 3.409 ( 8.861 2.929 -6.221) 11.216 3.636 ( 5.474 9.126 1.385) 10.731 3.758 ( 2.099 7.789 2.995) 8.605 3.831 ( 2.719 0.065 5.208) 5.876 3.908 ( 12.765 6.691 13.332) 19.633 4.012 ( -4.991 1.428 4.035) 6.575 4.161 ( -1.041 0.946 7.383) 7.516 4.235 ( 0.775 -4.445 3.512) 5.718 4.259 ( -1.742 -6.158 -3.755) 7.420 4.463 ( 2.487 -1.081 5.548) 6.175 4.502 ( -3.200 -0.225 0.400) 3.233 4.620 ( 0.907 -1.030 1.676) 2.166 4.786 ( 1.455 -0.825 -4.540) 4.838 4.841 ( -9.811 1.048 4.780) 10.964 4.880 ( 3.926 2.614 3.654) 5.967 5.073 ( 0.980 9.546 2.749) 9.982 5.276 ( -1.327 -4.009 -4.709) 6.325 5.450 ( -5.397 -10.520 -6.228) 13.364 5.493 ( 4.026 -5.071 1.720) 6.699 5.696 ( 11.242 6.748 2.223) 13.299 5.831 ( 4.316 -1.937 -1.071) 4.851 5.972 ( -2.090 2.706 -4.569) 5.707 6.073 ( -3.655 3.145 0.751) 4.880 6.172 ( -0.555 1.909 -5.984) 6.306 6.277 ( -0.621 -0.537 -5.089) 5.155 6.435 ( -7.487 -0.068 -1.009) 7.555 6.548 ( -6.381 2.289 1.075) 6.863 6.678 ( -1.868 -1.199 3.122) 3.830 6.736 ( -1.897 -0.095 2.619) 3.235 6.825 ( -0.881 3.024 5.518) 6.353 6.969 ( 0.411 0.386 2.524) 2.586 7.067 ( -6.829 -2.785 2.464) 7.776 7.120 ( -5.180 -0.515 6.256) 8.139 7.430 ( 1.431 1.217 -9.495) 9.679 7.482 ( -4.577 1.039 4.772) 6.693 7.695 ( -1.862 -4.209 -2.333) 5.160 7.782 ( 2.116 -2.858 -3.082) 4.706 7.972 ( -4.574 1.279 0.471) 4.773 8.015 ( 2.848 2.337 -4.009) 5.445 8.170 ( -10.877 -3.279 -2.671) 11.670 8.292 ( -7.047 -5.778 -5.992) 10.906 8.520 ( -2.812 0.776 1.541) 3.299 8.571 ( 1.130 -4.523 7.330) 8.687 8.946 ( -8.440 -4.161 0.455) 9.421 9.102 ( -4.978 -10.583 1.121) 11.749 9.379 ( 3.474 -0.469 -3.430) 4.904 9.397 ( 3.358 -1.916 0.185) 3.871 9.678 ( 5.080 1.926 1.014) 5.527 9.759 ( 2.677 -0.676 -0.424) 2.793 9.970 ( -4.037 1.902 -5.049) 6.738 10.054 ( 2.658 -2.616 -2.106) 4.283 10.278 ( -10.257 0.978 2.420) 10.584 10.339 ( -2.644 0.236 1.571) 3.084 10.483 ( -7.254 2.451 -1.844) 7.876 10.589 ( -4.930 -0.045 -1.010) 5.033 11.226 ( -4.695 -0.170 0.328) 4.710 11.275 ( -4.062 -2.536 -0.318) 4.799 11.528 ( 4.108 2.482 -0.926) 4.888 11.730 ( 4.902 -2.986 -2.030) 6.088 11.887 ( 3.431 -0.533 0.036) 3.472 12.009 ( -0.188 -3.593 -3.753) 5.199 12.358 ( -0.257 2.724 -8.581) 9.007 12.400 ( -1.051 0.332 1.349) 1.742 12.507 ( -7.107 4.116 4.369) 9.302 12.762 ( -0.460 -7.120 -1.283) 7.249 12.954 ( -0.438 -1.348 2.216) 2.630 13.061 ( -1.632 -6.000 -2.981) 6.896 13.705 ( 2.816 6.112 3.485) 7.579 13.797 ( 8.234 4.024 -0.788) 9.199 13.996 ( 11.810 -1.814 2.687) 12.247 14.053 ( 18.892 -0.054 -3.899) 19.290 14.277 ( -0.834 2.135 1.735) 2.874 14.503 ( 2.614 -6.153 -5.364) 8.571 14.602 ( 11.030 0.224 -0.932) 11.071 14.863 ( 11.621 -12.777 -1.326) 17.323 15.374 ( -2.215 2.956 2.729) 4.593 15.450 ( -1.775 1.115 1.311) 2.472 15.567 ( -0.656 2.932 -0.309) 3.021 15.649 ( -3.143 -1.314 -1.512) 3.727 16.013 ( -0.697 5.079 4.268) 6.671 16.156 ( -1.082 10.223 1.835) 10.443 16.250 ( 5.322 -4.634 1.436) 7.202 16.464 ( 0.780 -1.561 -1.205) 2.121 16.891 ( -5.996 1.116 0.045) 6.099 16.975 ( -3.698 -1.080 -2.103) 4.389 17.458 ( 10.489 10.347 0.332) 14.738 17.720 ( 11.708 -0.961 -1.968) 11.911 20.358 ( -8.149 2.319 -1.149) 8.550 20.426 ( -10.868 1.538 1.527) 11.082 20.555 ( -2.108 0.148 -0.239) 2.126 20.677 ( -6.197 -3.360 -2.216) 7.390 25.335 ( -1.310 -1.189 0.247) 1.787 25.354 ( -1.377 -2.136 -1.141) 2.786 25.463 ( -0.387 1.211 -0.113) 1.276 25.495 ( 0.487 -0.532 -0.104) 0.729 26.243 ( -0.851 5.633 2.346) 6.161 26.338 ( -1.572 2.373 -0.021) 2.846 26.560 ( -7.145 5.147 -4.286) 9.793 26.668 ( -4.088 0.150 2.852) 4.987 27.081 ( 2.900 1.902 4.649) 5.800 27.141 ( 0.122 1.824 1.315) 2.252 27.219 ( 3.201 2.139 0.212) 3.856 27.435 ( 2.906 -4.894 0.928) 5.767 27.876 ( 3.774 2.790 -1.319) 4.875 27.946 ( 2.652 -0.200 -2.098) 3.387 28.102 ( 3.906 1.855 -2.598) 5.045 28.168 ( 3.015 -0.415 -0.519) 3.088 28.722 ( 2.808 4.787 -2.332) 6.020 28.814 ( 4.847 10.383 -1.371) 11.541 28.870 ( 6.659 2.562 7.672) 10.477 29.288 ( -2.603 1.150 -1.398) 3.170 29.447 ( -2.989 3.345 1.800) 4.834 29.585 ( 1.441 -5.131 2.286) 5.799 29.625 ( 1.196 -3.489 -2.860) 4.667 29.770 ( 5.265 -3.845 -0.295) 6.526 31.095 ( -9.307 -7.117 7.379) 13.846 31.172 ( 3.226 -12.063 1.435) 12.569 31.603 ( -9.685 6.499 -3.003) 12.044 32.108 ( -8.540 -14.621 -1.980) 17.048 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 1.981 0.389 0.879) 2.202 1.961 ( 2.677 -1.401 4.865) 5.727 2.015 ( -2.466 0.292 6.821) 7.259 2.320 ( -0.265 -7.896 4.069) 8.886 2.518 ( 0.621 6.122 -3.564) 7.111 2.660 ( 0.058 1.284 -5.446) 5.596 2.751 ( 4.691 2.963 -1.830) 5.843 2.959 ( -2.450 -0.164 -2.357) 3.404 3.036 ( -0.050 8.950 4.157) 9.869 3.202 ( 5.947 8.095 2.186) 10.280 3.332 ( 2.493 1.508 4.259) 5.160 3.413 ( 6.561 -1.305 0.898) 6.750 3.479 ( 1.495 0.743 -3.619) 3.986 3.536 ( 9.968 -0.530 0.829) 10.017 3.701 ( 0.341 11.831 -1.054) 11.882 3.769 ( 0.774 7.361 1.534) 7.559 3.832 ( 2.585 3.146 1.596) 4.373 4.033 ( -2.166 1.006 3.564) 4.290 4.125 ( 1.736 2.553 2.366) 3.890 4.169 ( -1.404 -6.790 -3.846) 7.928 4.319 ( 0.720 -2.116 3.360) 4.036 4.384 ( 6.111 1.509 7.982) 10.165 4.445 ( -1.197 0.334 -2.073) 2.417 4.469 ( 2.406 -1.311 5.411) 6.066 4.602 ( -5.666 -0.317 -4.147) 7.029 4.696 ( -7.631 -3.119 7.179) 10.931 4.893 ( 3.523 3.611 4.969) 7.081 4.945 ( -1.802 6.211 -4.373) 7.807 5.201 ( 4.119 1.943 -4.489) 6.395 5.277 ( 13.935 1.105 0.576) 13.991 5.419 ( 8.442 -11.544 3.134) 14.640 5.530 ( 1.519 -7.757 0.874) 7.952 5.721 ( -18.885 3.103 -1.495) 19.197 5.854 ( -0.497 0.307 -0.805) 0.995 5.972 ( 2.184 -0.162 -1.588) 2.705 5.994 ( 7.429 -1.828 3.725) 8.509 6.186 ( 1.820 -0.298 1.392) 2.311 6.272 ( 2.053 -2.529 -0.125) 3.260 6.339 ( -3.913 -1.328 -1.168) 4.294 6.437 ( -9.364 -0.586 3.402) 9.981 6.569 ( -5.667 2.702 -1.008) 6.359 6.614 ( -2.856 1.663 -4.413) 5.513 6.850 ( -8.158 2.282 2.229) 8.760 6.919 ( -0.880 2.091 4.806) 5.315 7.070 ( 1.930 -0.272 1.676) 2.571 7.162 ( -1.267 -1.978 5.982) 6.427 7.330 ( -2.937 5.799 -6.282) 9.040 7.490 ( 5.146 -2.626 -0.919) 5.850 7.661 ( -1.158 -2.823 0.758) 3.144 7.815 ( 2.942 -4.905 -1.913) 6.032 7.862 ( -3.294 0.744 -2.802) 4.388 7.991 ( -4.016 -1.592 -2.250) 4.871 8.039 ( 0.366 0.344 -5.246) 5.270 8.149 ( -3.347 -3.207 -4.460) 6.433 8.478 ( -2.453 2.104 0.485) 3.268 8.643 ( 0.649 -6.303 1.508) 6.513 8.857 ( -1.996 -2.823 1.257) 3.679 8.976 ( -5.501 -8.440 -1.440) 10.177 9.423 ( 3.737 1.302 -2.323) 4.589 9.475 ( 4.213 -2.531 -0.909) 4.998 9.782 ( 2.174 1.661 0.566) 2.794 9.843 ( 5.164 -1.755 6.735) 8.666 9.876 ( -2.969 2.974 -0.936) 4.305 10.050 ( -2.506 -3.161 -2.844) 4.936 10.163 ( -2.369 2.248 3.049) 4.468 10.269 ( -2.466 -1.377 -1.656) 3.274 10.385 ( -2.680 6.775 -2.995) 7.877 10.537 ( -0.924 -0.259 0.105) 0.966 11.166 ( -2.418 -1.762 1.034) 3.165 11.220 ( -1.449 -4.208 -0.324) 4.462 11.581 ( 2.133 4.540 -1.496) 5.235 11.765 ( 0.732 -1.887 -3.823) 4.326 11.910 ( 1.988 0.311 -3.430) 3.977 12.034 ( 2.392 -4.382 -0.728) 5.045 12.295 ( 0.190 2.808 -5.014) 5.750 12.347 ( -4.575 1.203 0.288) 4.740 12.508 ( 2.295 -1.774 4.973) 5.757 12.732 ( -0.709 -8.780 -1.879) 9.007 12.974 ( -0.091 -1.310 1.850) 2.269 13.037 ( 0.901 -3.759 -0.510) 3.899 13.742 ( -0.453 5.448 3.007) 6.239 13.875 ( 0.476 0.324 -0.639) 0.860 14.161 ( 5.046 -0.316 -0.742) 5.110 14.278 ( -0.958 1.477 2.880) 3.376 14.339 ( 9.970 1.912 -0.218) 10.154 14.556 ( 6.108 -4.250 -0.153) 7.443 14.771 ( 7.416 -0.726 -1.942) 7.700 15.007 ( 5.028 -12.210 -3.262) 13.601 15.327 ( -3.760 2.641 2.074) 5.041 15.422 ( -3.264 -0.837 1.898) 3.867 15.566 ( 1.179 1.830 -0.171) 2.184 15.582 ( -2.079 -0.222 -2.026) 2.911 16.021 ( -2.008 6.983 4.969) 8.803 16.127 ( -1.924 9.977 -0.185) 10.162 16.327 ( 1.544 -5.498 -1.416) 5.884 16.459 ( -0.366 -1.820 -2.396) 3.031 16.778 ( -4.546 3.101 1.575) 5.724 16.933 ( 0.284 -2.625 -0.509) 2.689 17.639 ( 7.522 11.102 0.249) 13.412 17.883 ( 5.867 0.406 -1.911) 6.183 20.228 ( -3.838 0.044 -0.687) 3.899 20.261 ( -6.588 -1.240 0.737) 6.744 20.537 ( 0.164 0.502 -0.441) 0.688 20.581 ( -2.073 -0.930 -1.764) 2.877 25.317 ( -0.598 -1.789 0.232) 1.901 25.332 ( -0.139 -2.514 -0.605) 2.589 25.457 ( -0.075 0.723 -0.177) 0.748 25.496 ( -0.288 -1.421 -0.534) 1.545 26.215 ( -1.645 5.804 -0.799) 6.085 26.322 ( -1.554 0.651 -0.164) 1.692 26.482 ( 0.912 8.265 0.030) 8.315 26.630 ( -2.622 1.001 2.074) 3.489 27.134 ( 0.308 5.841 6.631) 8.842 27.206 ( 1.717 -1.452 8.191) 8.494 27.289 ( 2.258 0.996 3.256) 4.086 27.494 ( 1.447 -5.895 2.685) 6.637 27.933 ( 3.074 3.270 -1.757) 4.820 27.971 ( 1.798 0.759 -2.209) 2.947 28.136 ( 1.990 2.125 -3.206) 4.331 28.193 ( 0.724 0.097 -1.231) 1.432 28.756 ( 2.210 4.957 -2.505) 5.978 28.868 ( 1.798 7.041 -2.131) 7.573 28.985 ( 0.839 3.015 2.058) 3.746 29.222 ( -2.387 2.775 -1.587) 3.989 29.393 ( -3.569 6.862 1.318) 7.846 29.613 ( 0.599 -2.965 1.597) 3.420 29.629 ( 0.831 -8.953 -2.932) 9.457 29.826 ( 1.263 -2.760 -0.604) 3.095 30.944 ( -9.326 -0.965 1.877) 9.562 31.234 ( 1.648 -14.910 -0.766) 15.021 31.494 ( 0.035 3.230 0.658) 3.296 31.956 ( -4.502 -13.891 -3.780) 15.084 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -3.774 7.267 7.376) 11.021 2.023 ( -2.844 4.586 3.099) 6.223 2.044 ( 4.196 0.950 2.969) 5.227 2.358 ( -1.062 -0.796 1.959) 2.366 2.437 ( -4.141 0.023 -0.016) 4.141 2.644 ( 0.525 0.408 -2.750) 2.829 2.761 ( -4.193 0.770 -3.633) 5.601 2.902 ( -2.666 1.164 -2.102) 3.589 2.971 ( -4.596 10.614 1.511) 11.665 3.229 ( -6.733 2.250 2.678) 7.588 3.347 ( -1.681 3.478 -3.189) 5.009 3.386 ( -5.614 1.846 0.123) 5.911 3.517 ( 0.372 -3.767 1.138) 3.953 3.650 ( -5.409 4.706 -3.370) 7.922 3.682 ( 2.000 11.221 8.605) 14.281 3.797 ( 2.211 7.809 1.612) 8.275 3.890 ( -5.305 0.473 0.476) 5.347 3.943 ( -9.294 3.728 1.521) 10.128 4.060 ( -5.978 7.517 6.329) 11.502 4.178 ( 0.258 -7.035 -5.639) 9.020 4.310 ( -12.691 -0.983 1.082) 12.775 4.345 ( -2.497 -0.394 2.193) 3.346 4.372 ( -0.218 -3.610 1.117) 3.786 4.522 ( 2.351 -0.986 -4.376) 5.064 4.529 ( -5.632 -4.896 5.430) 9.229 4.673 ( 5.971 -3.960 4.025) 8.218 4.842 ( -2.463 2.942 4.827) 6.166 4.974 ( -1.334 1.865 2.373) 3.299 5.207 ( -8.957 -3.520 -5.797) 11.235 5.361 ( 2.562 3.054 5.838) 7.069 5.406 ( -4.964 -11.242 1.595) 12.392 5.662 ( 12.643 0.465 -5.169) 13.666 5.743 ( -4.573 -2.971 -1.121) 5.567 5.819 ( 2.460 -0.013 4.362) 5.008 6.065 ( 9.135 3.230 5.122) 10.960 6.111 ( -8.152 0.418 -0.671) 8.190 6.173 ( 11.695 -1.827 -1.623) 11.947 6.263 ( 2.478 -1.276 -2.466) 3.721 6.298 ( 1.439 -4.988 1.086) 5.304 6.356 ( -0.739 1.517 -0.468) 1.751 6.552 ( 2.724 3.529 -4.113) 6.065 6.617 ( 1.776 5.014 -0.346) 5.330 6.816 ( 0.714 -0.759 5.193) 5.297 6.860 ( -8.080 -0.596 3.034) 8.651 7.056 ( -3.165 -1.510 3.142) 4.709 7.131 ( 0.939 -1.602 2.062) 2.775 7.323 ( 4.169 8.607 -1.881) 9.747 7.618 ( 4.965 -5.649 -2.197) 7.835 7.671 ( 2.851 -4.405 0.613) 5.283 7.791 ( -1.932 -8.528 -1.219) 8.828 7.885 ( 4.044 2.626 -4.746) 6.766 7.958 ( 0.760 -0.353 0.537) 0.995 8.018 ( 5.500 0.635 -7.037) 8.954 8.115 ( 1.863 -3.472 -4.050) 5.650 8.438 ( -1.353 2.256 -0.093) 2.632 8.586 ( -4.510 -3.195 -1.631) 5.763 8.859 ( 1.125 -3.726 1.037) 4.028 8.953 ( 1.865 -8.751 -0.671) 8.973 9.479 ( 2.657 1.640 -1.894) 3.651 9.517 ( 2.136 -1.482 0.322) 2.620 9.772 ( -2.469 6.231 3.375) 7.504 9.835 ( -1.911 1.920 0.594) 2.773 9.967 ( -3.296 -0.833 -1.434) 3.689 10.012 ( 6.993 -4.993 3.366) 9.229 10.226 ( 4.727 1.438 4.850) 6.923 10.265 ( 0.778 1.302 -1.059) 1.850 10.328 ( 1.844 6.130 -4.567) 7.863 10.525 ( 0.176 -1.168 -2.648) 2.899 11.154 ( 0.377 -1.792 0.769) 1.986 11.237 ( 3.532 -5.089 0.833) 6.250 11.580 ( -0.652 2.060 -1.589) 2.682 11.696 ( -3.292 -3.313 -6.343) 7.878 11.938 ( 0.194 4.272 -0.715) 4.335 12.038 ( 2.272 1.024 -3.041) 3.932 12.274 ( -2.996 1.094 -0.839) 3.298 12.328 ( 4.542 1.518 0.412) 4.806 12.595 ( 3.572 -5.770 1.149) 6.883 12.735 ( 2.758 -7.149 -0.939) 7.720 12.968 ( -1.667 1.033 2.231) 2.971 13.079 ( 2.836 -4.680 0.388) 5.487 13.749 ( -1.492 2.963 3.512) 4.831 13.842 ( -2.115 -1.857 -0.757) 2.914 14.153 ( -5.684 1.679 -0.181) 5.930 14.242 ( -4.192 -0.867 -2.061) 4.751 14.407 ( -2.206 3.882 4.811) 6.564 14.648 ( 0.171 -1.993 0.033) 2.001 14.821 ( -1.570 -3.230 1.139) 3.768 14.981 ( -3.956 -9.411 -5.658) 11.672 15.313 ( 0.198 1.860 2.246) 2.923 15.378 ( -1.895 -0.901 1.576) 2.624 15.536 ( -0.373 2.682 -2.393) 3.614 15.606 ( 2.199 -0.404 -0.781) 2.369 16.010 ( -2.649 8.530 4.213) 9.876 16.108 ( -0.272 7.861 0.000) 7.865 16.318 ( 0.815 -3.679 -2.474) 4.508 16.377 ( -4.879 -3.877 -3.391) 7.095 16.797 ( 3.348 3.683 2.150) 5.422 16.962 ( 2.651 -2.721 -0.214) 3.805 17.693 ( -3.617 7.967 2.551) 9.114 17.870 ( -4.997 0.505 -3.168) 5.938 20.216 ( 2.989 0.080 -0.607) 3.051 20.257 ( 6.267 -1.186 0.266) 6.384 20.537 ( 0.736 0.702 -0.728) 1.250 20.594 ( 4.002 -1.753 -1.266) 4.549 25.318 ( 0.452 -1.330 0.093) 1.408 25.343 ( 1.572 -2.611 -0.241) 3.057 25.458 ( 0.259 0.053 -0.120) 0.290 25.481 ( -0.453 -1.363 -0.937) 1.715 26.181 ( -1.575 5.080 -0.385) 5.332 26.309 ( 1.429 0.817 -1.573) 2.276 26.549 ( 4.489 5.337 2.321) 7.350 26.600 ( -1.341 3.162 0.671) 3.500 27.215 ( 2.372 6.604 8.167) 10.768 27.304 ( 1.113 -1.353 11.758) 11.888 27.338 ( -0.016 0.803 4.300) 4.375 27.522 ( -0.798 -4.549 4.295) 6.307 27.934 ( -1.209 3.325 -2.500) 4.332 27.989 ( 1.311 0.958 -1.676) 2.333 28.128 ( -0.028 2.319 -3.840) 4.486 28.173 ( -1.596 0.002 -3.024) 3.419 28.702 ( -7.501 6.584 -3.980) 10.745 28.818 ( -4.176 7.292 -3.518) 9.110 28.960 ( -4.032 1.271 2.300) 4.813 29.216 ( 3.145 2.037 -1.641) 4.090 29.362 ( 0.049 7.093 0.042) 7.094 29.587 ( -3.673 -11.315 -0.528) 11.908 29.639 ( 1.038 -3.109 -0.264) 3.288 29.808 ( -2.422 -3.375 -1.420) 4.390 30.795 ( -6.947 5.208 -0.499) 8.696 31.265 ( 3.314 -14.863 -0.508) 15.237 31.580 ( 6.245 -1.283 3.200) 7.134 31.917 ( 4.182 -11.808 -5.360) 13.625 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -7.734 16.412 10.311) 20.868 1.895 ( -11.414 15.337 -3.327) 19.405 2.116 ( 2.151 5.827 -0.922) 6.279 2.270 ( -5.610 4.616 -0.575) 7.288 2.377 ( -5.144 -7.649 -4.333) 10.185 2.577 ( -13.056 -2.565 2.855) 13.608 2.643 ( -1.269 0.481 -4.195) 4.409 2.789 ( -8.354 5.157 2.579) 10.151 2.872 ( -9.978 2.326 -6.542) 12.156 3.044 ( -15.990 2.514 4.453) 16.788 3.099 ( -15.075 2.997 6.519) 16.695 3.264 ( -11.592 -2.034 -1.049) 11.816 3.422 ( -9.863 1.584 -2.817) 10.379 3.442 ( -17.878 1.157 -3.976) 18.352 3.598 ( 1.048 3.933 1.347) 4.287 3.805 ( -0.614 3.919 1.110) 4.119 3.850 ( -0.997 6.357 8.777) 10.883 3.967 ( -10.099 -6.112 -6.487) 13.470 3.994 ( 1.187 6.012 6.283) 8.777 4.055 ( 4.958 1.634 5.463) 7.557 4.248 ( 0.473 -1.701 4.952) 5.257 4.315 ( -4.218 1.009 1.275) 4.520 4.371 ( -3.973 3.386 6.976) 8.713 4.532 ( -3.017 -8.769 4.362) 10.248 4.566 ( 8.370 1.724 -2.340) 8.861 4.759 ( 0.297 -1.429 -1.138) 1.851 4.814 ( -4.290 1.180 3.896) 5.914 4.936 ( -4.650 -4.480 4.403) 7.816 5.152 ( 5.685 -5.002 -5.594) 9.415 5.314 ( -3.826 -1.731 8.316) 9.316 5.504 ( 4.632 -1.882 0.368) 5.013 5.617 ( -4.783 -2.716 -2.163) 5.910 5.727 ( -1.366 6.090 3.913) 7.367 5.808 ( 3.851 -0.290 -11.322) 11.962 5.960 ( -5.610 -1.295 -1.408) 5.928 6.140 ( -7.051 -4.497 -1.151) 8.442 6.255 ( 6.603 1.383 -7.274) 9.921 6.317 ( 2.189 5.617 4.142) 7.314 6.473 ( 3.490 -2.533 0.778) 4.382 6.543 ( -0.243 5.891 2.296) 6.328 6.563 ( 17.230 1.882 3.458) 17.674 6.642 ( 0.734 2.600 -2.736) 3.845 6.726 ( -6.652 -3.192 1.910) 7.622 6.823 ( 5.566 -3.113 -0.526) 6.400 7.164 ( 6.269 -3.895 5.326) 9.101 7.195 ( 0.771 -0.475 0.775) 1.192 7.437 ( 8.725 4.880 4.916) 11.141 7.639 ( -0.504 -5.230 1.321) 5.418 7.725 ( 2.595 -3.329 -3.584) 5.537 7.728 ( -3.643 -6.568 -3.742) 8.391 7.900 ( 4.708 -0.534 -7.918) 9.227 7.960 ( 0.056 -0.927 -0.347) 0.992 8.119 ( 2.080 -4.801 -5.635) 7.690 8.164 ( 9.556 -4.199 -1.853) 10.602 8.469 ( 3.563 3.611 6.083) 7.921 8.547 ( 0.984 0.524 0.021) 1.115 8.901 ( 3.037 -3.654 -1.764) 5.068 8.974 ( 1.587 -7.151 -1.742) 7.529 9.457 ( -1.392 1.063 -2.294) 2.886 9.597 ( 1.177 -1.082 7.132) 7.309 9.757 ( -3.872 2.360 0.875) 4.618 9.840 ( 2.420 3.810 1.761) 4.845 9.912 ( 2.909 3.588 -3.703) 5.920 10.140 ( 3.691 -5.325 2.559) 6.966 10.214 ( -1.425 6.370 -3.818) 7.562 10.369 ( 6.848 -1.010 -0.422) 6.935 10.409 ( 6.552 2.827 -2.649) 7.611 10.544 ( 5.655 -1.518 -0.744) 5.902 11.188 ( 2.880 0.166 0.110) 2.887 11.356 ( 7.951 -6.542 -0.262) 10.300 11.564 ( 0.146 -0.957 0.670) 1.177 11.587 ( -3.133 -2.110 -3.636) 5.243 11.884 ( -2.520 5.725 -3.174) 7.014 12.103 ( 3.459 1.887 -0.766) 4.014 12.244 ( 1.893 3.929 -1.067) 4.490 12.431 ( 5.869 -0.304 0.035) 5.877 12.647 ( 3.179 -3.830 -2.354) 5.506 12.809 ( 4.348 -5.217 0.221) 6.795 12.949 ( -2.259 3.610 2.461) 4.919 13.131 ( 2.632 -5.897 -0.331) 6.466 13.718 ( -4.102 0.819 1.285) 4.376 13.808 ( -4.204 -2.791 4.164) 6.542 13.964 ( -13.067 2.880 -0.095) 13.381 14.102 ( -8.679 -2.766 -2.472) 9.439 14.353 ( -7.686 2.895 3.045) 8.759 14.521 ( -10.375 -0.434 -4.638) 11.373 14.747 ( -7.658 -7.543 0.256) 10.752 14.819 ( -7.844 -4.822 -2.595) 9.566 15.339 ( 0.152 1.638 3.113) 3.521 15.373 ( 0.206 0.140 -0.069) 0.258 15.540 ( 2.048 2.974 -0.834) 3.707 15.617 ( 0.629 -0.560 -2.939) 3.057 16.012 ( -0.211 7.401 4.698) 8.768 16.093 ( -1.758 5.831 0.964) 6.166 16.283 ( -3.445 -1.823 -0.255) 3.906 16.337 ( 1.650 -2.546 -2.878) 4.182 16.855 ( 1.708 3.410 -0.879) 3.914 17.024 ( 4.263 -1.999 -0.369) 4.723 17.558 ( -11.595 3.250 3.308) 12.488 17.697 ( -9.748 -1.815 -3.608) 10.551 20.342 ( 10.335 3.224 -0.889) 10.863 20.435 ( 10.874 0.016 1.394) 10.963 20.560 ( 2.235 1.165 -1.111) 2.755 20.687 ( 7.063 -4.379 -1.577) 8.458 25.330 ( 0.760 0.050 -0.267) 0.807 25.378 ( 2.182 -2.363 -0.310) 3.231 25.461 ( 0.318 -0.102 -0.284) 0.439 25.473 ( 0.032 -0.271 -0.476) 0.549 26.159 ( -0.834 3.527 1.000) 3.760 26.340 ( 2.427 -3.805 -1.253) 4.684 26.606 ( 2.734 6.551 -0.654) 7.129 26.667 ( 6.113 2.181 2.086) 6.818 27.311 ( 1.383 4.261 4.631) 6.443 27.347 ( -1.953 1.995 3.398) 4.398 27.432 ( 3.678 0.935 12.293) 12.866 27.557 ( 1.069 -1.985 5.957) 6.369 27.869 ( -2.995 2.970 -3.579) 5.532 27.968 ( -2.791 -0.373 -3.054) 4.154 28.078 ( -2.075 2.122 -4.885) 5.716 28.100 ( -2.107 0.805 -3.484) 4.150 28.439 ( -15.190 10.703 -5.130) 19.277 28.716 ( -4.178 4.425 -1.365) 6.237 28.882 ( -7.403 1.039 4.521) 8.737 29.272 ( 2.904 -2.828 -3.341) 5.253 29.381 ( 1.639 4.335 -0.874) 4.716 29.495 ( -5.873 -9.396 2.129) 11.284 29.642 ( -0.112 -3.151 -1.198) 3.373 29.724 ( -5.105 -3.500 -0.778) 6.239 30.708 ( -2.459 11.475 1.885) 11.886 31.340 ( 3.219 -17.327 2.559) 17.808 31.743 ( 8.687 -0.811 2.646) 9.117 32.019 ( 10.414 -10.647 -5.223) 15.783 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -11.555 22.352 -5.206) 25.695 1.643 ( -22.827 22.249 5.446) 32.338 2.057 ( -9.621 -2.837 -3.486) 10.619 2.149 ( -0.084 2.261 -0.977) 2.464 2.270 ( -6.164 -4.053 3.336) 8.096 2.302 ( -12.310 11.031 8.528) 18.599 2.482 ( -6.323 -0.128 -2.780) 6.909 2.659 ( -9.622 -2.042 -1.663) 9.976 2.760 ( -2.743 3.470 4.361) 6.212 2.804 ( -13.471 0.573 5.652) 14.619 2.960 ( -3.997 -1.989 -3.702) 5.799 3.004 ( -5.988 3.846 5.563) 9.033 3.214 ( -10.190 -0.734 -1.913) 10.394 3.314 ( -1.604 -1.139 -1.080) 2.244 3.592 ( 1.209 4.423 -6.049) 7.591 3.720 ( -6.631 -4.566 -4.559) 9.252 3.808 ( -1.042 4.303 4.002) 5.968 3.957 ( 3.092 5.104 8.977) 10.779 4.080 ( -2.164 -1.027 3.900) 4.577 4.137 ( -3.217 1.250 2.478) 4.248 4.246 ( -3.395 3.633 5.907) 7.721 4.310 ( 1.166 -1.232 3.298) 3.709 4.355 ( -3.429 -1.789 6.817) 7.837 4.475 ( -1.986 -6.682 1.667) 7.168 4.678 ( -3.132 0.577 -2.568) 4.091 4.736 ( 7.422 -0.018 1.142) 7.509 4.830 ( -1.149 1.064 7.296) 7.462 4.925 ( 4.991 -3.612 -2.909) 6.813 5.121 ( -3.019 -3.177 3.785) 5.791 5.432 ( 6.007 1.122 0.036) 6.111 5.488 ( -9.443 3.112 2.228) 10.190 5.559 ( -0.617 4.046 -3.828) 5.604 5.709 ( -0.519 3.602 2.313) 4.312 5.804 ( 2.333 -2.012 -6.662) 7.340 5.889 ( 0.306 -2.421 -3.988) 4.675 6.031 ( -1.286 -5.335 -5.486) 7.760 6.319 ( 0.755 4.941 -6.760) 8.407 6.344 ( 2.520 1.248 -0.977) 2.977 6.428 ( -5.846 -0.136 1.442) 6.023 6.522 ( 0.458 2.308 4.726) 5.279 6.635 ( -1.568 -3.668 1.429) 4.237 6.722 ( 7.772 -2.877 0.389) 8.297 6.856 ( 8.147 4.848 2.307) 9.757 6.999 ( 7.251 0.676 1.916) 7.530 7.136 ( -5.988 1.201 0.167) 6.110 7.241 ( 1.341 -4.327 -2.427) 5.139 7.594 ( -4.837 -0.397 -3.768) 6.144 7.628 ( 0.315 -3.133 4.740) 5.691 7.675 ( 4.674 -5.963 1.546) 7.732 7.766 ( 5.805 8.214 1.167) 10.126 7.947 ( 3.256 -0.748 -3.891) 5.128 7.970 ( 2.187 -7.431 -3.234) 8.394 8.081 ( -0.659 -4.448 -3.099) 5.461 8.359 ( 10.149 -11.062 5.489) 15.984 8.553 ( -0.477 3.337 -1.489) 3.685 8.612 ( 3.759 0.300 7.187) 8.117 8.952 ( 4.409 -3.808 -0.958) 5.905 8.993 ( 1.947 -6.144 -2.078) 6.772 9.441 ( 0.568 2.364 0.670) 2.521 9.609 ( -5.510 -2.195 3.678) 6.979 9.671 ( -4.152 3.902 -0.128) 5.699 9.782 ( -4.152 0.157 -2.286) 4.743 10.088 ( 5.494 -0.556 1.387) 5.693 10.185 ( 3.063 4.171 -9.996) 11.256 10.194 ( 3.955 -0.711 0.964) 4.132 10.456 ( 9.560 -1.773 -5.435) 11.138 10.558 ( 6.682 2.524 3.820) 8.100 10.686 ( 7.041 -2.249 1.625) 7.568 11.261 ( 4.947 1.799 -0.109) 5.265 11.411 ( 1.313 -4.636 -7.196) 8.660 11.592 ( 2.352 -0.486 -0.710) 2.505 11.634 ( 6.555 -1.990 1.222) 6.958 11.843 ( 1.491 6.245 -2.025) 6.732 12.127 ( 2.771 -4.378 -3.720) 6.379 12.343 ( 8.031 7.066 -0.811) 10.728 12.517 ( 3.163 -2.850 -2.155) 4.772 12.677 ( 0.626 1.193 -1.957) 2.376 12.835 ( -3.454 -1.015 2.323) 4.285 12.957 ( 3.789 2.119 -0.637) 4.388 13.169 ( 2.295 -5.868 -1.429) 6.461 13.604 ( -9.958 -0.299 0.418) 9.972 13.677 ( -9.808 -2.591 -0.877) 10.182 13.755 ( -10.971 2.340 0.842) 11.250 13.830 ( -18.549 -2.286 -3.620) 19.037 14.195 ( -7.479 -0.720 1.329) 7.631 14.351 ( -2.489 -4.548 0.185) 5.188 14.566 ( -8.104 -0.124 -3.369) 8.777 14.702 ( -5.020 -2.969 -0.745) 5.880 15.363 ( -0.089 1.578 3.345) 3.699 15.382 ( 1.028 0.416 0.852) 1.398 15.592 ( 3.216 2.036 0.930) 3.918 15.614 ( 1.112 0.727 -1.781) 2.222 16.044 ( -2.313 4.239 1.647) 5.102 16.077 ( 0.364 5.569 4.822) 7.375 16.229 ( -0.824 0.916 -4.451) 4.619 16.298 ( -4.883 -4.841 2.388) 7.279 16.872 ( 1.721 6.146 -0.322) 6.391 17.093 ( 3.047 -1.944 -0.692) 3.680 17.377 ( -9.657 3.372 3.469) 10.801 17.522 ( -5.176 -2.383 -3.135) 6.504 20.517 ( 8.055 4.023 -1.628) 9.150 20.587 ( 1.483 1.468 -1.571) 2.612 20.635 ( 8.502 1.184 1.649) 8.741 20.811 ( 6.838 -5.966 -1.681) 9.229 25.340 ( 0.515 1.335 -0.185) 1.443 25.411 ( 1.662 -1.942 -0.485) 2.602 25.458 ( -0.725 1.033 -0.003) 1.262 25.478 ( 1.024 -0.164 -0.588) 1.192 26.163 ( -0.250 1.791 2.209) 2.855 26.369 ( 1.160 -7.617 0.777) 7.744 26.692 ( 6.875 6.361 -1.639) 9.509 26.788 ( 5.040 -0.476 1.519) 5.285 27.294 ( -3.404 3.053 0.621) 4.615 27.335 ( -3.583 1.815 1.445) 4.268 27.556 ( 3.013 4.048 -12.446) 13.430 27.594 ( -0.753 1.392 -4.290) 4.572 27.811 ( -0.202 2.642 2.113) 3.389 27.862 ( -3.654 0.623 -1.209) 3.899 27.979 ( -3.518 2.216 -5.385) 6.803 28.051 ( -2.139 -0.175 -2.285) 3.135 28.224 ( -4.494 9.272 8.170) 13.150 28.638 ( -6.785 -5.635 7.564) 11.619 28.772 ( -5.375 7.498 2.358) 9.522 29.215 ( -3.616 -10.220 -3.365) 11.351 29.414 ( 1.925 2.258 1.448) 3.302 29.468 ( -0.285 -1.331 4.120) 4.339 29.619 ( -1.853 -0.913 -1.145) 2.362 29.645 ( -2.648 -3.127 0.994) 4.216 30.739 ( 1.887 13.744 7.419) 15.733 31.394 ( -0.310 -17.154 3.557) 17.522 31.905 ( 5.676 -0.136 2.503) 6.204 32.187 ( 10.286 -11.842 -3.732) 16.123 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.519 -5.816 -2.502) 6.814 1.717 ( 2.519 5.816 -2.502) 6.814 2.042 ( -0.836 -17.692 -0.074) 17.712 2.042 ( -0.836 17.692 -0.074) 17.712 2.203 ( 3.624 -6.447 2.889) 7.940 2.203 ( 3.624 6.447 2.889) 7.940 2.570 ( 1.220 -3.472 -7.682) 8.518 2.570 ( 1.220 3.472 -7.682) 8.518 2.711 ( -2.242 -10.986 7.885) 13.708 2.711 ( -2.242 10.986 7.885) 13.708 2.995 ( 4.834 -3.181 0.610) 5.819 2.995 ( 4.834 3.181 0.610) 5.819 3.211 ( -1.996 -8.358 2.750) 9.022 3.211 ( -1.996 8.358 2.750) 9.022 3.602 ( 0.158 -0.651 -5.579) 5.619 3.602 ( 0.158 0.651 -5.579) 5.619 3.884 ( -4.350 -2.127 2.183) 5.312 3.884 ( -4.350 2.127 2.183) 5.312 4.074 ( -3.488 -7.638 2.127) 8.662 4.074 ( -3.488 7.638 2.127) 8.662 4.289 ( -2.465 -2.834 5.828) 6.933 4.289 ( -2.465 2.834 5.828) 6.933 4.369 ( 0.448 -2.742 5.504) 6.165 4.369 ( 0.448 2.742 5.504) 6.165 4.708 ( -0.931 -5.372 3.581) 6.523 4.708 ( -0.931 5.372 3.581) 6.523 4.927 ( 1.459 -8.253 0.690) 8.410 4.927 ( 1.459 8.253 0.690) 8.410 5.302 ( -3.614 -2.760 2.113) 5.014 5.302 ( -3.614 2.760 2.113) 5.014 5.535 ( -0.239 -8.922 4.157) 9.846 5.535 ( -0.239 8.922 4.157) 9.846 5.735 ( -4.520 -6.163 -9.267) 12.012 5.735 ( -4.520 6.163 -9.267) 12.012 5.904 ( 5.922 -2.007 0.322) 6.261 5.904 ( 5.922 2.007 0.322) 6.261 6.311 ( -0.843 -1.549 -1.302) 2.192 6.311 ( -0.843 1.549 -1.302) 2.192 6.518 ( 2.044 -3.017 -1.343) 3.884 6.518 ( 2.044 3.017 -1.343) 3.884 6.749 ( 3.099 -9.149 2.620) 10.009 6.749 ( 3.099 9.149 2.620) 10.009 6.986 ( -3.772 -3.108 1.691) 5.172 6.986 ( -3.772 3.108 1.691) 5.172 7.167 ( -1.158 -5.313 4.440) 7.020 7.167 ( -1.158 5.313 4.440) 7.020 7.569 ( 2.652 -2.585 -3.283) 4.949 7.569 ( 2.652 2.585 -3.283) 4.949 7.701 ( -4.486 -8.540 -1.138) 9.713 7.701 ( -4.486 8.540 -1.138) 9.713 8.028 ( 3.173 -4.038 0.773) 5.193 8.028 ( 3.173 4.038 0.773) 5.193 8.222 ( 3.847 -15.824 5.043) 17.048 8.222 ( 3.847 15.824 5.043) 17.048 8.602 ( -1.882 -3.720 -1.155) 4.326 8.602 ( -1.882 3.720 -1.155) 4.326 8.981 ( 3.988 -0.787 0.346) 4.080 8.981 ( 3.988 0.787 0.346) 4.080 9.463 ( -5.437 -1.491 -1.484) 5.830 9.463 ( -5.437 1.491 -1.484) 5.830 9.670 ( -0.759 -2.517 -3.359) 4.265 9.670 ( -0.759 2.517 -3.359) 4.265 10.095 ( -0.121 -0.768 -5.266) 5.323 10.095 ( -0.121 0.768 -5.266) 5.323 10.431 ( 3.331 -7.922 -0.898) 8.640 10.431 ( 3.331 7.922 -0.898) 8.640 10.720 ( 0.349 -2.563 1.319) 2.903 10.720 ( 0.349 2.563 1.319) 2.903 11.387 ( 4.624 -2.441 0.405) 5.245 11.387 ( 4.624 2.441 0.405) 5.245 11.578 ( -4.876 -2.219 -7.789) 9.453 11.578 ( -4.876 2.219 -7.789) 9.453 12.012 ( 0.886 -7.108 -3.700) 8.062 12.012 ( 0.886 7.108 -3.700) 8.062 12.496 ( 3.236 -1.519 -5.190) 6.302 12.496 ( 3.236 1.519 -5.190) 6.302 12.704 ( -4.615 -5.032 1.911) 7.091 12.704 ( -4.615 5.032 1.911) 7.091 13.098 ( 0.800 -5.012 -3.715) 6.290 13.098 ( 0.800 5.012 -3.715) 6.290 13.488 ( -1.196 -2.483 0.162) 2.761 13.488 ( -1.196 2.483 0.162) 2.761 13.621 ( 0.105 -2.776 -0.948) 2.935 13.621 ( 0.105 2.776 -0.948) 2.935 14.230 ( 2.952 -5.755 5.562) 8.531 14.230 ( 2.952 5.755 5.562) 8.531 14.549 ( -2.148 -4.576 -4.476) 6.752 14.549 ( -2.148 4.576 -4.476) 6.752 15.418 ( 0.595 -1.408 3.595) 3.907 15.418 ( 0.595 1.408 3.595) 3.907 15.656 ( 1.261 -1.508 0.129) 1.970 15.656 ( 1.261 1.508 0.129) 1.970 16.071 ( -3.359 -4.372 0.400) 5.528 16.071 ( -3.359 4.372 0.400) 5.528 16.243 ( 2.056 -4.799 4.468) 6.872 16.243 ( 2.056 4.799 4.468) 6.872 17.042 ( 0.989 -5.101 -0.216) 5.201 17.042 ( 0.989 5.101 -0.216) 5.201 17.401 ( -0.307 -4.511 0.623) 4.565 17.401 ( -0.307 4.511 0.623) 4.565 20.623 ( -0.097 -1.052 -0.424) 1.139 20.623 ( -0.097 1.052 -0.424) 1.139 20.763 ( 0.314 -4.121 -1.386) 4.359 20.763 ( 0.314 4.121 -1.386) 4.359 25.383 ( -0.043 -1.768 -0.466) 1.829 25.383 ( -0.043 1.768 -0.466) 1.829 25.478 ( 0.305 -0.805 -0.097) 0.867 25.478 ( 0.305 0.805 -0.097) 0.867 26.260 ( 0.672 -5.820 4.457) 7.361 26.260 ( 0.672 5.820 4.457) 7.361 26.829 ( 0.632 -1.022 2.667) 2.925 26.829 ( 0.632 1.022 2.667) 2.925 27.213 ( -7.023 -1.687 -8.618) 11.244 27.213 ( -7.023 1.687 -8.618) 11.244 27.487 ( -4.694 -2.196 -11.386) 12.509 27.487 ( -4.694 2.196 -11.386) 12.509 27.862 ( -1.219 -2.852 -0.319) 3.118 27.862 ( -1.219 2.852 -0.319) 3.118 27.975 ( 4.040 -1.165 -1.320) 4.407 27.975 ( 4.040 1.165 -1.320) 4.407 28.525 ( 6.059 -8.228 14.073) 17.391 28.525 ( 6.059 8.228 14.073) 17.391 28.957 ( 0.476 -11.505 -0.496) 11.525 28.957 ( 0.476 11.505 -0.496) 11.525 29.477 ( -0.588 -1.179 3.372) 3.620 29.477 ( -0.588 1.179 3.372) 3.620 29.602 ( 0.505 -0.827 0.662) 1.174 29.602 ( 0.505 0.827 0.662) 1.174 31.084 ( -1.278 -12.713 4.306) 13.483 31.084 ( -1.278 12.713 4.306) 13.483 32.056 ( 0.937 -8.816 -1.907) 9.068 32.056 ( 0.937 8.816 -1.907) 9.068 ======================= Grid point 72 (39/72) ======================= q-point: ( 0.14 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 4.490 -6.333 -6.564) 10.166 1.774 ( 4.490 6.333 -6.564) 10.166 2.192 ( 5.254 -7.360 4.311) 10.018 2.192 ( 5.254 7.360 4.311) 10.018 2.375 ( 12.889 -10.015 0.967) 16.351 2.375 ( 12.889 10.015 0.967) 16.351 2.568 ( 10.779 -0.675 -6.285) 12.496 2.568 ( 10.779 0.675 -6.285) 12.496 2.833 ( 9.353 -3.145 8.248) 12.861 2.833 ( 9.353 3.145 8.248) 12.861 3.113 ( 3.853 -2.674 -4.531) 6.521 3.113 ( 3.853 2.674 -4.531) 6.521 3.237 ( 6.770 -3.095 -1.464) 7.587 3.237 ( 6.770 3.095 -1.464) 7.587 3.619 ( 5.256 -4.231 2.143) 7.079 3.619 ( 5.256 4.231 2.143) 7.079 3.864 ( 0.419 -4.685 5.209) 7.018 3.864 ( 0.419 4.685 5.209) 7.018 4.036 ( -2.095 -8.432 0.987) 8.744 4.036 ( -2.095 8.432 0.987) 8.744 4.284 ( -4.089 -1.940 4.349) 6.276 4.284 ( -4.089 1.940 4.349) 6.276 4.408 ( 0.148 -6.612 4.478) 7.987 4.408 ( 0.148 6.612 4.478) 7.987 4.714 ( -2.322 -6.637 5.720) 9.065 4.714 ( -2.322 6.637 5.720) 9.065 4.916 ( -2.038 -6.292 -0.896) 6.675 4.916 ( -2.038 6.292 -0.896) 6.675 5.236 ( -3.754 -6.753 6.951) 10.393 5.236 ( -3.754 6.753 6.951) 10.393 5.478 ( -6.445 -3.667 -9.787) 12.279 5.478 ( -6.445 3.667 -9.787) 12.279 5.693 ( 6.074 -6.433 -0.471) 8.860 5.693 ( 6.074 6.433 -0.471) 8.860 6.012 ( 3.912 -2.048 0.868) 4.501 6.012 ( 3.912 2.048 0.868) 4.501 6.312 ( -0.242 -1.536 -1.611) 2.239 6.312 ( -0.242 1.536 -1.611) 2.239 6.553 ( 3.753 -1.027 -1.604) 4.209 6.553 ( 3.753 1.027 -1.604) 4.209 6.715 ( -6.356 -7.065 -0.651) 9.525 6.715 ( -6.356 7.065 -0.651) 9.525 6.950 ( -3.361 -4.264 6.252) 8.281 6.950 ( -3.361 4.264 6.252) 8.281 7.145 ( -4.464 -6.015 3.405) 8.228 7.145 ( -4.464 6.015 3.405) 8.228 7.550 ( -5.307 -4.705 1.628) 7.277 7.550 ( -5.307 4.705 1.628) 7.277 7.659 ( 3.568 -6.303 -4.752) 8.663 7.659 ( 3.568 6.303 -4.752) 8.663 8.066 ( 2.004 -1.290 -2.977) 3.813 8.066 ( 2.004 1.290 -2.977) 3.813 8.265 ( -4.913 -7.858 5.741) 10.902 8.265 ( -4.913 7.858 5.741) 10.902 8.548 ( -2.158 -2.904 -0.052) 3.618 8.548 ( -2.158 2.904 -0.052) 3.618 9.018 ( -2.451 -0.656 1.417) 2.906 9.018 ( -2.451 0.656 1.417) 2.906 9.357 ( -1.200 -0.388 -3.877) 4.077 9.357 ( -1.200 0.388 -3.877) 4.077 9.678 ( 3.041 -2.789 -2.350) 4.749 9.678 ( 3.041 2.789 -2.350) 4.749 10.050 ( 0.148 -1.817 -6.333) 6.590 10.050 ( 0.148 1.817 -6.333) 6.590 10.422 ( -4.832 -3.804 2.000) 6.467 10.422 ( -4.832 3.804 2.000) 6.467 10.659 ( -5.713 -2.183 -1.475) 6.291 10.659 ( -5.713 2.183 -1.475) 6.291 11.378 ( -8.524 -1.310 -5.294) 10.119 11.378 ( -8.524 1.310 -5.294) 10.119 11.499 ( 6.167 -4.736 1.856) 7.994 11.499 ( 6.167 4.736 1.856) 7.994 11.962 ( -1.556 -6.431 -3.265) 7.379 11.962 ( -1.556 6.431 -3.265) 7.379 12.472 ( -0.642 -2.216 -7.272) 7.629 12.472 ( -0.642 2.216 -7.272) 7.629 12.680 ( -2.436 -1.194 3.383) 4.337 12.680 ( -2.436 1.194 3.383) 4.337 13.005 ( -4.506 -4.373 -1.272) 6.407 13.005 ( -4.506 4.373 -1.272) 6.407 13.644 ( 12.966 -3.594 -0.781) 13.477 13.644 ( 12.966 3.594 -0.781) 13.477 13.732 ( 11.142 -2.448 -0.074) 11.408 13.732 ( 11.142 2.448 -0.074) 11.408 14.354 ( 4.077 -6.653 2.387) 8.159 14.354 ( 4.077 6.653 2.387) 8.159 14.512 ( 4.205 -5.318 -4.103) 7.925 14.512 ( 4.205 5.318 -4.103) 7.925 15.441 ( -0.652 -2.210 2.643) 3.507 15.441 ( -0.652 2.210 2.643) 3.507 15.657 ( -1.227 -2.979 0.151) 3.225 15.657 ( -1.227 2.979 0.151) 3.225 16.068 ( 1.344 -4.111 2.734) 5.116 16.068 ( 1.344 4.111 2.734) 5.116 16.316 ( 2.502 -6.791 2.538) 7.669 16.316 ( 2.502 6.791 2.538) 7.669 17.024 ( -2.863 -3.058 -0.713) 4.249 17.024 ( -2.863 3.058 -0.713) 4.249 17.461 ( 6.722 -5.806 0.296) 8.887 17.461 ( 6.722 5.806 0.296) 8.887 20.574 ( -5.546 -3.297 -0.183) 6.455 20.574 ( -5.546 3.297 -0.183) 6.455 20.692 ( -5.473 -5.626 -1.317) 7.959 20.692 ( -5.473 5.626 -1.317) 7.959 25.363 ( -1.536 -0.919 -0.536) 1.868 25.363 ( -1.536 0.919 -0.536) 1.868 25.483 ( 0.231 -0.471 0.017) 0.525 25.483 ( 0.231 0.471 0.017) 0.525 26.312 ( 0.528 -5.332 5.130) 7.418 26.312 ( 0.528 5.332 5.130) 7.418 26.777 ( -7.991 -0.416 0.189) 8.004 26.777 ( -7.991 0.416 0.189) 8.004 27.079 ( 2.037 -4.220 -7.168) 8.564 27.079 ( 2.037 4.220 -7.168) 8.564 27.353 ( -3.380 -4.277 -3.460) 6.457 27.353 ( -3.380 4.277 -3.460) 6.457 27.873 ( 2.782 -2.394 -1.153) 3.847 27.873 ( 2.782 2.394 -1.153) 3.847 28.063 ( 5.477 -1.145 -1.122) 5.707 28.063 ( 5.477 1.145 -1.122) 5.707 28.725 ( 4.273 -3.063 7.127) 8.856 28.725 ( 4.273 3.063 7.127) 8.856 29.025 ( 8.096 -17.093 -0.880) 18.934 29.025 ( 8.096 17.093 -0.880) 18.934 29.472 ( -2.573 -1.305 3.723) 4.710 29.472 ( -2.573 1.305 3.723) 4.710 29.639 ( 2.660 -1.426 0.667) 3.091 29.639 ( 2.660 1.426 0.667) 3.091 31.068 ( -3.604 -6.980 4.237) 8.925 31.068 ( -3.604 6.980 4.237) 8.926 31.983 ( -6.811 -11.216 -2.189) 13.304 31.983 ( -6.811 11.216 -2.189) 13.304 ======================= Grid point 74 (40/72) ======================= q-point: ( 0.29 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 3.832 -3.049 -2.077) 5.319 1.814 ( 3.832 3.049 -2.077) 5.319 2.160 ( -4.289 -7.717 1.032) 8.889 2.160 ( -4.289 7.717 1.032) 8.889 2.598 ( 8.087 -7.841 -2.555) 11.550 2.598 ( 8.087 7.841 -2.555) 11.550 2.812 ( 9.352 -4.096 2.242) 10.453 2.812 ( 9.352 4.096 2.242) 10.453 3.074 ( 2.142 -1.786 -3.645) 4.590 3.074 ( 2.142 1.786 -3.645) 4.590 3.142 ( 17.720 -6.252 2.081) 18.905 3.142 ( 17.720 6.252 2.081) 18.905 3.417 ( 10.403 -2.878 -3.979) 11.504 3.417 ( 10.403 2.878 -3.979) 11.504 3.771 ( 7.181 -3.441 -2.111) 8.238 3.771 ( 7.181 3.441 -2.111) 8.238 3.982 ( 0.355 -7.397 0.601) 7.430 3.982 ( 0.355 7.397 0.601) 7.430 4.053 ( 8.132 -7.679 6.942) 13.163 4.053 ( 8.132 7.679 6.942) 13.163 4.195 ( -5.404 -2.378 9.315) 11.028 4.195 ( -5.404 2.378 9.315) 11.028 4.471 ( 1.566 -3.090 3.629) 5.017 4.471 ( 1.566 3.090 3.629) 5.017 4.688 ( -2.767 -7.534 -0.936) 8.080 4.688 ( -2.767 7.534 -0.936) 8.080 4.885 ( -0.372 -1.715 6.321) 6.560 4.885 ( -0.372 1.715 6.321) 6.560 5.260 ( -1.157 -5.989 0.555) 6.124 5.260 ( -1.157 5.989 0.555) 6.124 5.331 ( -1.804 -10.299 -0.764) 10.483 5.331 ( -1.804 10.299 -0.764) 10.483 5.797 ( 5.000 -2.530 -1.981) 5.944 5.797 ( 5.000 2.530 -1.981) 5.944 6.046 ( -1.618 -4.151 1.399) 4.669 6.046 ( -1.618 4.151 1.399) 4.669 6.225 ( -4.184 -2.844 -7.121) 8.735 6.225 ( -4.184 2.844 -7.121) 8.735 6.505 ( -8.337 -4.905 0.627) 9.693 6.505 ( -8.337 4.905 0.627) 9.693 6.698 ( 1.368 -2.461 2.787) 3.962 6.698 ( 1.368 2.461 2.787) 3.962 6.929 ( -2.771 -4.844 5.418) 7.778 6.929 ( -2.771 4.844 5.418) 7.778 7.070 ( -4.524 -3.589 2.936) 6.478 7.070 ( -4.524 3.589 2.936) 6.478 7.473 ( -3.116 -2.457 -0.003) 3.968 7.473 ( -3.116 2.457 -0.003) 3.968 7.682 ( 1.759 -4.285 -4.200) 6.252 7.682 ( 1.759 4.285 -4.200) 6.252 8.043 ( -4.095 -3.297 -1.403) 5.441 8.043 ( -4.095 3.297 -1.403) 5.441 8.156 ( -4.165 -5.161 -4.541) 8.037 8.156 ( -4.165 5.161 -4.541) 8.037 8.530 ( -2.136 -0.560 4.580) 5.084 8.530 ( -2.136 0.560 4.580) 5.084 8.937 ( -4.836 -4.134 -0.287) 6.369 8.937 ( -4.836 4.134 -0.287) 6.369 9.373 ( 3.774 -0.294 -1.865) 4.220 9.373 ( 3.774 0.294 -1.865) 4.220 9.732 ( 3.915 -2.355 -0.256) 4.575 9.732 ( 3.915 2.355 -0.256) 4.575 10.007 ( -0.787 -1.924 -4.059) 4.560 10.007 ( -0.787 1.924 -4.059) 4.560 10.312 ( -7.142 -2.196 1.340) 7.591 10.312 ( -7.142 2.196 1.340) 7.591 10.552 ( -3.366 -3.239 -2.482) 5.289 10.552 ( -3.366 3.239 -2.482) 5.289 11.230 ( -5.509 -1.173 -0.575) 5.661 11.230 ( -5.509 1.173 -0.575) 5.661 11.624 ( 5.834 -5.925 0.516) 8.331 11.624 ( 5.834 5.925 0.516) 8.331 11.932 ( 0.841 -3.747 -3.295) 5.060 11.932 ( 0.841 3.747 -3.295) 5.060 12.401 ( -1.488 -1.244 -5.401) 5.739 12.401 ( -1.488 1.244 -5.401) 5.739 12.620 ( -5.020 -6.506 1.588) 8.370 12.620 ( -5.020 6.506 1.588) 8.370 12.963 ( -0.405 -2.774 0.654) 2.879 12.963 ( -0.405 2.774 0.654) 2.879 13.815 ( 3.465 -3.521 3.841) 6.258 13.815 ( 3.465 3.521 3.841) 6.258 14.004 ( 17.563 -4.063 -3.105) 18.292 14.004 ( 17.563 4.063 -3.105) 18.292 14.368 ( 0.544 -6.488 -1.088) 6.601 14.368 ( 0.544 6.488 -1.088) 6.601 14.665 ( 11.055 -6.168 -1.883) 12.799 14.665 ( 11.055 6.168 -1.883) 12.799 15.437 ( -1.752 -2.331 1.649) 3.350 15.437 ( -1.752 2.331 1.649) 3.350 15.615 ( -2.624 -1.912 -0.586) 3.299 15.615 ( -2.624 1.912 -0.586) 3.299 16.131 ( 1.730 -6.171 3.959) 7.533 16.131 ( 1.730 6.171 3.959) 7.533 16.357 ( 0.454 -8.121 1.491) 8.269 16.357 ( 0.454 8.121 1.491) 8.269 16.938 ( -4.822 -2.459 -1.585) 5.641 16.938 ( -4.822 2.459 -1.585) 5.641 17.640 ( 11.878 -6.676 -0.899) 13.655 17.640 ( 11.878 6.676 -0.899) 13.655 20.410 ( -11.063 -2.340 0.268) 11.311 20.410 ( -11.063 2.340 0.268) 11.311 20.601 ( -3.136 -3.582 -1.273) 4.928 20.601 ( -3.136 3.582 -1.273) 4.928 25.326 ( -1.829 -0.444 -0.386) 1.921 25.326 ( -1.829 0.444 -0.386) 1.921 25.483 ( -0.280 -0.728 -0.075) 0.783 25.483 ( -0.280 0.728 -0.075) 0.783 26.332 ( -1.421 -2.564 2.085) 3.597 26.332 ( -1.421 2.564 2.085) 3.597 26.643 ( -4.629 -2.533 -0.107) 5.278 26.643 ( -4.629 2.533 -0.107) 5.278 27.125 ( 2.971 -2.435 1.703) 4.202 27.125 ( 2.971 2.435 1.703) 4.202 27.320 ( 0.687 -5.926 1.036) 6.055 27.320 ( 0.687 5.926 1.036) 6.055 27.926 ( 3.825 -1.795 -1.926) 4.643 27.926 ( 3.825 1.795 -1.926) 4.643 28.142 ( 3.787 -1.804 -1.442) 4.436 28.142 ( 3.787 1.804 -1.442) 4.436 28.803 ( 2.617 -3.119 1.107) 4.219 28.803 ( 2.617 3.119 1.107) 4.219 29.171 ( 6.698 -15.126 -2.952) 16.804 29.171 ( 6.698 15.126 -2.952) 16.804 29.451 ( -2.500 -0.682 4.225) 4.956 29.451 ( -2.500 0.682 4.225) 4.956 29.691 ( 2.510 -4.897 -0.551) 5.530 29.691 ( 2.510 4.897 -0.551) 5.530 31.027 ( -3.776 -1.639 3.790) 5.596 31.027 ( -3.776 1.639 3.790) 5.596 31.810 ( -8.753 -13.024 -2.792) 15.938 31.810 ( -8.753 13.024 -2.792) 15.938 ======================= Grid point 76 (41/72) ======================= q-point: ( 0.43 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.495 -3.576 5.117) 7.693 1.900 ( 4.495 3.576 5.117) 7.693 2.128 ( -1.160 -8.857 3.226) 9.498 2.128 ( -1.160 8.857 3.226) 9.498 2.638 ( 0.859 -3.748 -5.764) 6.929 2.638 ( 0.859 3.748 -5.764) 6.929 2.849 ( -0.468 -6.956 -1.692) 7.174 2.849 ( -0.468 6.956 -1.692) 7.174 3.208 ( 6.183 -6.148 4.220) 9.687 3.208 ( 6.183 6.148 4.220) 9.687 3.384 ( 3.012 -3.058 1.611) 4.585 3.384 ( 3.012 3.058 1.611) 4.585 3.522 ( 5.718 -5.060 -2.175) 7.939 3.522 ( 5.718 5.060 -2.175) 7.939 3.868 ( 4.168 -1.093 -2.693) 5.081 3.868 ( 4.168 1.093 -2.693) 5.081 3.963 ( 2.427 -10.265 -0.605) 10.565 3.963 ( 2.427 10.265 -0.605) 10.565 4.096 ( -0.528 -6.339 2.426) 6.808 4.096 ( -0.528 6.339 2.426) 6.808 4.321 ( 1.186 -3.676 3.699) 5.348 4.321 ( 1.186 3.676 3.699) 5.348 4.489 ( -0.015 -1.766 3.019) 3.497 4.489 ( -0.015 1.766 3.019) 3.497 4.608 ( -8.426 -2.380 0.344) 8.763 4.608 ( -8.426 2.380 0.344) 8.763 5.018 ( 2.965 -3.416 4.160) 6.145 5.018 ( 2.965 3.416 4.160) 6.145 5.218 ( -0.230 -3.438 0.922) 3.567 5.218 ( -0.230 3.438 0.922) 3.567 5.378 ( 8.567 -7.215 -0.065) 11.201 5.378 ( 8.567 7.215 -0.065) 11.201 5.803 ( -7.444 -4.206 0.942) 8.602 5.803 ( -7.444 4.206 0.942) 8.602 5.972 ( 1.141 -1.791 1.843) 2.812 5.972 ( 1.141 1.791 1.843) 2.812 6.186 ( 0.254 -1.589 2.518) 2.988 6.186 ( 0.254 1.589 2.518) 2.988 6.389 ( -5.794 -3.222 -1.123) 6.724 6.389 ( -5.794 3.222 -1.123) 6.724 6.628 ( -2.723 -1.292 -3.051) 4.289 6.628 ( -2.723 1.292 -3.051) 4.289 6.918 ( -5.144 -3.341 4.035) 7.342 6.918 ( -5.144 3.341 4.035) 7.342 7.091 ( 2.542 -3.428 1.477) 4.516 7.091 ( 2.542 3.428 1.477) 4.516 7.432 ( 0.346 -3.566 -1.993) 4.099 7.432 ( 0.346 3.566 -1.993) 4.099 7.671 ( -1.418 -4.911 1.100) 5.229 7.671 ( -1.418 4.911 1.100) 5.229 7.933 ( -1.931 -3.538 -4.519) 6.056 7.933 ( -1.931 3.538 -4.519) 6.055 8.087 ( -0.813 -3.102 -5.034) 5.969 8.087 ( -0.813 3.102 -5.034) 5.969 8.530 ( -1.117 -3.613 2.039) 4.296 8.530 ( -1.117 3.613 2.039) 4.296 8.857 ( -3.168 -2.958 -0.588) 4.374 8.857 ( -3.168 2.958 -0.588) 4.374 9.442 ( 4.303 -0.838 -0.870) 4.469 9.442 ( 4.303 0.838 -0.870) 4.469 9.810 ( 3.273 -1.301 2.026) 4.064 9.810 ( 3.273 1.301 2.026) 4.064 9.964 ( -1.983 -4.681 -0.270) 5.091 9.964 ( -1.983 4.681 -0.270) 5.091 10.223 ( -1.722 -2.907 -0.832) 3.479 10.223 ( -1.722 2.907 -0.832) 3.479 10.499 ( -1.064 -3.752 -2.227) 4.491 10.499 ( -1.064 3.752 -2.227) 4.491 11.155 ( -2.303 -1.347 -0.127) 2.671 11.155 ( -2.303 1.347 -0.127) 2.671 11.686 ( 0.871 -5.037 -2.700) 5.781 11.686 ( 0.871 5.037 -2.700) 5.781 11.954 ( 3.596 -3.360 -0.969) 5.016 11.954 ( 3.596 3.360 -0.969) 5.016 12.345 ( -0.847 -1.784 -3.826) 4.305 12.345 ( -0.847 1.784 -3.826) 4.305 12.561 ( -1.755 -6.780 1.267) 7.118 12.561 ( -1.755 6.780 1.267) 7.118 12.978 ( 0.829 -1.763 1.455) 2.432 12.978 ( 0.829 1.763 1.455) 2.432 13.842 ( -1.926 -3.555 1.679) 4.378 13.842 ( -1.926 3.555 1.679) 4.378 14.209 ( 5.272 -4.844 -2.723) 7.660 14.209 ( 5.272 4.844 -2.723) 7.660 14.445 ( 6.490 -6.941 3.130) 10.005 14.445 ( 6.490 6.941 3.130) 10.005 14.818 ( 6.409 -5.745 -2.542) 8.974 14.818 ( 6.409 5.745 -2.542) 8.974 15.388 ( -4.134 -2.572 1.555) 5.111 15.388 ( -4.134 2.572 1.555) 5.111 15.583 ( -0.084 -0.188 -0.996) 1.017 15.583 ( -0.084 0.188 -0.996) 1.017 16.167 ( -0.454 -6.860 3.859) 7.884 16.167 ( -0.454 6.860 3.859) 7.884 16.348 ( -2.383 -7.818 -1.093) 8.246 16.348 ( -2.383 7.818 -1.093) 8.246 16.865 ( -1.258 -4.052 -0.280) 4.252 16.865 ( -1.258 4.052 -0.280) 4.252 17.823 ( 7.110 -6.191 -1.549) 9.554 17.823 ( 7.110 6.191 -1.549) 9.554 20.238 ( -6.073 -0.891 0.032) 6.138 20.238 ( -6.073 0.891 0.032) 6.138 20.556 ( -0.700 -1.256 -1.117) 1.821 20.556 ( -0.700 1.256 -1.117) 1.821 25.301 ( -0.551 -0.336 -0.005) 0.645 25.301 ( -0.551 0.336 -0.005) 0.645 25.473 ( -0.488 -0.869 -0.519) 1.123 25.473 ( -0.488 0.869 -0.519) 1.123 26.305 ( -1.580 -2.577 -0.492) 3.063 26.305 ( -1.580 2.577 -0.492) 3.063 26.604 ( -1.014 -3.480 1.880) 4.084 26.604 ( -1.014 3.480 1.880) 4.084 27.194 ( 1.624 -0.969 6.550) 6.818 27.194 ( 1.624 0.969 6.550) 6.818 27.367 ( 1.371 -6.030 4.110) 7.425 27.367 ( 1.371 6.030 4.110) 7.425 27.974 ( 2.801 -0.737 -2.273) 3.682 27.974 ( 2.801 0.737 -2.273) 3.682 28.176 ( 1.390 -1.558 -1.997) 2.889 28.176 ( 1.390 1.558 -1.997) 2.889 28.851 ( 1.309 -3.879 0.106) 4.095 28.851 ( 1.309 3.879 0.106) 4.095 29.197 ( 0.678 -9.028 -6.138) 10.938 29.197 ( 0.678 9.028 -6.138) 10.938 29.446 ( -1.938 -2.545 4.198) 5.279 29.446 ( -1.938 2.545 4.198) 5.279 29.712 ( 0.881 -7.813 -2.426) 8.229 29.712 ( 0.881 7.813 -2.426) 8.229 30.990 ( -2.902 -6.781 2.715) 7.860 30.990 ( -2.902 6.781 2.715) 7.860 31.672 ( -2.828 -12.388 -2.779) 13.007 31.672 ( -2.828 12.388 -2.779) 13.007 ======================= Grid point 78 (42/72) ======================= q-point: (-0.43 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 3.386 -4.188 5.027) 7.367 2.023 ( 3.386 4.188 5.027) 7.367 2.157 ( -0.030 -9.818 7.202) 12.176 2.157 ( -0.030 9.818 7.202) 12.176 2.583 ( -1.819 -6.100 -5.075) 8.141 2.583 ( -1.819 6.100 -5.075) 8.141 2.824 ( -2.928 -5.578 -1.453) 6.466 2.824 ( -2.928 5.578 -1.453) 6.466 3.176 ( -8.062 -7.606 -1.829) 11.234 3.176 ( -8.062 7.606 -1.829) 11.234 3.398 ( -3.736 -0.826 0.819) 3.913 3.398 ( -3.736 0.826 0.819) 3.913 3.591 ( 3.768 -9.266 0.474) 10.013 3.591 ( 3.768 9.266 0.474) 10.013 3.865 ( -6.389 -3.871 -1.410) 7.602 3.865 ( -6.389 3.871 -1.410) 7.602 3.964 ( -2.162 -5.606 -3.572) 6.990 3.964 ( -2.162 5.606 -3.572) 6.990 4.135 ( -3.560 -7.800 6.600) 10.820 4.135 ( -3.560 7.800 6.600) 10.820 4.263 ( -6.440 -6.851 -4.111) 10.262 4.263 ( -6.440 6.851 -4.111) 10.262 4.417 ( -4.365 -4.663 8.034) 10.264 4.417 ( -4.365 4.663 8.034) 10.264 4.566 ( 5.340 -6.060 1.461) 8.208 4.566 ( 5.340 6.060 1.461) 8.208 4.961 ( -10.687 -7.726 4.428) 13.911 4.961 ( -10.687 7.726 4.428) 13.911 5.177 ( 0.961 -6.426 -2.494) 6.960 5.177 ( 0.961 6.426 -2.494) 6.960 5.543 ( -2.037 -9.195 4.461) 10.420 5.543 ( -2.037 9.195 4.461) 10.420 5.783 ( 5.696 -3.874 -0.020) 6.889 5.783 ( 5.696 3.874 -0.020) 6.889 6.111 ( -0.244 -1.471 3.435) 3.745 6.111 ( -0.244 1.471 3.435) 3.745 6.166 ( 5.130 -3.703 0.887) 6.388 6.166 ( 5.130 3.703 0.887) 6.388 6.321 ( 6.176 -3.361 -3.736) 7.962 6.321 ( 6.176 3.361 -3.736) 7.962 6.655 ( 2.790 -2.497 -1.460) 4.019 6.655 ( 2.790 2.497 -1.460) 4.019 6.826 ( -7.460 -2.095 4.031) 8.734 6.826 ( -7.460 2.095 4.031) 8.734 7.070 ( -1.610 -2.959 0.876) 3.481 7.070 ( -1.610 2.959 0.876) 3.481 7.489 ( 5.835 -6.877 -3.048) 9.520 7.489 ( 5.835 6.877 -3.048) 9.520 7.651 ( -1.529 -3.675 1.786) 4.362 7.651 ( -1.529 3.675 1.786) 4.362 7.939 ( 3.398 -1.928 -2.994) 4.922 7.939 ( 3.398 1.928 -2.994) 4.922 8.051 ( 2.088 -2.548 -6.020) 6.863 8.051 ( 2.088 2.548 -6.020) 6.863 8.504 ( -1.926 -4.000 1.211) 4.601 8.504 ( -1.926 4.000 1.211) 4.601 8.838 ( 1.658 -2.028 -0.916) 2.775 8.838 ( 1.658 2.028 -0.916) 2.775 9.498 ( 1.855 -1.102 0.093) 2.160 9.498 ( 1.855 1.102 0.093) 2.160 9.856 ( -0.574 -1.513 1.551) 2.241 9.856 ( -0.574 1.513 1.551) 2.241 9.949 ( 1.399 -0.437 0.830) 1.684 9.949 ( 1.399 0.437 0.830) 1.684 10.254 ( 4.401 -1.274 0.868) 4.663 10.254 ( 4.401 1.274 0.868) 4.663 10.464 ( -0.134 -5.115 -3.832) 6.393 10.464 ( -0.134 5.115 -3.832) 6.393 11.153 ( 2.330 -2.163 -0.090) 3.181 11.153 ( 2.330 2.163 -0.090) 3.181 11.630 ( -3.096 -2.864 -4.060) 5.855 11.630 ( -3.096 2.864 -4.060) 5.855 12.020 ( 2.336 -3.040 0.268) 3.844 12.020 ( 2.336 3.040 0.268) 3.844 12.324 ( 2.000 -3.249 -3.406) 5.115 12.324 ( 2.000 3.249 -3.406) 5.115 12.584 ( 3.087 -5.621 1.251) 6.534 12.584 ( 3.087 5.621 1.251) 6.534 13.006 ( 0.896 -2.587 1.595) 3.169 13.006 ( 0.896 2.587 1.595) 3.169 13.802 ( -3.004 -2.071 1.296) 3.871 13.802 ( -3.004 2.071 1.296) 3.871 14.199 ( -3.902 -2.468 -2.286) 5.152 14.199 ( -3.902 2.468 -2.286) 5.152 14.530 ( -1.726 -8.005 4.196) 9.202 14.530 ( -1.726 8.005 4.196) 9.202 14.838 ( -2.466 -4.913 -2.487) 6.033 14.838 ( -2.466 4.913 -2.487) 6.033 15.353 ( -0.506 -1.678 1.231) 2.142 15.353 ( -0.506 1.678 1.231) 2.142 15.585 ( 0.997 -1.847 -1.419) 2.534 15.585 ( 0.997 1.847 -1.419) 2.534 16.182 ( -2.259 -7.867 4.409) 9.296 16.182 ( -2.259 7.867 4.409) 9.296 16.270 ( -1.955 -6.849 -3.054) 7.750 16.270 ( -1.955 6.849 -3.054) 7.750 16.889 ( 2.958 -4.311 0.427) 5.246 16.889 ( 2.958 4.311 0.427) 5.246 17.827 ( -5.688 -4.540 -1.464) 7.424 17.827 ( -5.688 4.540 -1.464) 7.424 20.231 ( 5.565 -1.203 -0.129) 5.695 20.231 ( 5.565 1.203 -0.129) 5.695 20.559 ( 1.871 -1.444 -1.053) 2.587 20.559 ( 1.871 1.444 -1.053) 2.587 25.309 ( 1.225 -0.573 0.169) 1.363 25.309 ( 1.225 0.573 0.169) 1.363 25.463 ( 0.071 -0.489 -0.762) 0.908 25.463 ( 0.071 0.489 -0.762) 0.908 26.275 ( -1.266 -3.538 -0.796) 3.841 26.275 ( -1.266 3.538 -0.796) 3.841 26.621 ( 1.222 -1.332 2.178) 2.830 26.621 ( 1.222 1.332 2.178) 2.830 27.286 ( 2.289 -1.289 7.782) 8.213 27.286 ( 2.289 1.289 7.782) 8.213 27.415 ( -0.112 -5.644 6.631) 8.708 27.415 ( -0.112 5.644 6.631) 8.708 27.985 ( -0.031 -1.453 -2.287) 2.710 27.985 ( -0.031 1.453 -2.287) 2.710 28.163 ( -0.872 -1.046 -3.214) 3.491 28.163 ( -0.872 1.046 -3.214) 3.491 28.815 ( -5.519 -4.087 -0.680) 6.901 28.815 ( -5.519 4.087 -0.680) 6.901 29.149 ( -0.666 -10.635 -6.498) 12.481 29.149 ( -0.666 10.635 -6.498) 12.481 29.431 ( -2.334 -1.553 3.454) 4.448 29.431 ( -2.334 1.553 3.454) 4.448 29.689 ( -1.019 -6.891 -2.948) 7.564 29.689 ( -1.019 6.891 -2.948) 7.564 30.967 ( -1.111 -11.832 2.192) 12.085 30.967 ( -1.111 11.832 2.192) 12.085 31.683 ( 5.804 -9.507 -2.475) 11.410 31.683 ( 5.804 9.507 -2.475) 11.410 ======================= Grid point 80 (43/72) ======================= q-point: (-0.29 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.826 -6.491 2.938) 7.173 2.091 ( 0.826 6.491 2.938) 7.173 2.162 ( -5.551 -10.958 1.620) 12.391 2.162 ( -5.551 10.958 1.620) 12.391 2.495 ( -6.688 -10.268 -0.739) 12.276 2.495 ( -6.688 10.268 -0.739) 12.276 2.692 ( -7.053 -9.479 -3.120) 12.220 2.692 ( -7.053 9.479 -3.120) 12.220 2.961 ( -13.307 -5.811 -8.014) 16.585 2.961 ( -13.307 5.811 -8.014) 16.585 3.244 ( -15.640 -2.296 4.901) 16.550 3.244 ( -15.640 2.296 4.901) 16.550 3.444 ( -14.488 -2.620 -3.514) 15.137 3.444 ( -14.488 2.620 -3.514) 15.137 3.723 ( -0.305 -8.229 0.849) 8.278 3.723 ( -0.305 8.229 0.849) 8.278 3.884 ( -3.184 -3.994 0.287) 5.116 3.884 ( -3.184 3.994 0.287) 5.116 4.159 ( 0.245 -6.284 2.906) 6.928 4.159 ( 0.245 6.284 2.906) 6.928 4.236 ( -0.250 -7.499 7.977) 10.951 4.236 ( -0.250 7.499 7.977) 10.951 4.436 ( -3.365 -1.635 5.439) 6.602 4.436 ( -3.365 1.635 5.439) 6.602 4.667 ( 5.591 -6.692 -0.102) 8.721 4.667 ( 5.591 6.692 -0.102) 8.721 4.822 ( -6.589 -3.941 5.550) 9.474 4.822 ( -6.589 3.941 5.550) 9.474 5.193 ( 0.179 -7.944 0.800) 7.986 5.193 ( 0.179 7.944 0.800) 7.986 5.548 ( 2.456 -4.274 0.300) 4.939 5.548 ( 2.456 4.274 0.300) 4.939 5.807 ( 1.461 -0.736 -3.711) 4.056 5.807 ( 1.461 0.736 -3.711) 4.056 6.003 ( -7.693 -6.280 1.308) 10.016 6.003 ( -7.693 6.280 1.308) 10.016 6.310 ( 6.714 -4.676 -1.202) 8.269 6.310 ( 6.714 4.676 -1.202) 8.269 6.527 ( 0.924 -6.333 1.093) 6.493 6.527 ( 0.924 6.333 1.093) 6.493 6.653 ( 1.586 -1.650 -0.299) 2.308 6.653 ( 1.586 1.650 -0.299) 2.308 6.735 ( 4.737 -4.601 -0.892) 6.663 6.735 ( 4.737 4.601 -0.892) 6.663 7.150 ( 3.600 -2.215 5.399) 6.857 7.150 ( 3.600 2.215 5.399) 6.857 7.550 ( 1.534 -4.466 2.267) 5.238 7.550 ( 1.534 4.466 2.267) 5.238 7.654 ( 3.292 -1.727 -4.086) 5.524 7.654 ( 3.292 1.727 -4.086) 5.524 7.946 ( -0.236 -1.853 -1.172) 2.205 7.946 ( -0.236 1.853 -1.172) 2.205 8.077 ( 4.599 -2.135 -6.957) 8.609 8.077 ( 4.599 2.135 -6.957) 8.609 8.531 ( 2.697 -2.061 3.837) 5.123 8.531 ( 2.697 2.061 3.837) 5.123 8.878 ( 3.458 -1.758 -2.864) 4.822 8.878 ( 3.458 1.758 -2.864) 4.822 9.520 ( 0.188 -4.616 1.637) 4.901 9.520 ( 0.188 4.616 1.637) 4.901 9.823 ( -3.435 -3.106 1.283) 4.805 9.823 ( -3.435 3.106 1.283) 4.805 10.025 ( 5.426 -5.525 0.268) 7.749 10.025 ( 5.426 5.525 0.268) 7.749 10.324 ( 2.596 -3.399 -4.109) 5.932 10.324 ( 2.596 3.399 -4.109) 5.932 10.488 ( 6.262 -3.960 -0.903) 7.464 10.488 ( 6.262 3.960 -0.903) 7.464 11.234 ( 6.187 -4.421 -1.049) 7.676 11.234 ( 6.187 4.421 -1.049) 7.676 11.559 ( -1.205 -0.562 -0.911) 1.612 11.559 ( -1.205 0.562 -0.911) 1.612 12.020 ( -1.036 -6.691 -2.229) 7.129 12.020 ( -1.036 6.691 -2.229) 7.129 12.376 ( 5.542 -5.915 -2.799) 8.575 12.376 ( 5.542 5.915 -2.799) 8.575 12.676 ( 5.584 -6.198 0.271) 8.347 12.676 ( 5.584 6.198 0.271) 8.347 13.030 ( 0.359 -4.148 1.447) 4.408 13.030 ( 0.359 4.148 1.447) 4.408 13.750 ( -5.077 -2.255 3.006) 6.316 13.750 ( -5.077 2.255 3.006) 6.316 14.036 ( -10.998 -3.492 -2.275) 11.761 14.036 ( -10.998 3.492 -2.275) 11.761 14.441 ( -9.936 -5.758 -0.341) 11.489 14.441 ( -9.936 5.758 -0.341) 11.489 14.724 ( -6.494 -3.889 -0.740) 7.605 14.724 ( -6.494 3.889 -0.740) 7.605 15.367 ( 0.548 -0.876 0.977) 1.422 15.367 ( 0.548 0.876 0.977) 1.422 15.590 ( 0.967 -1.887 -1.746) 2.747 15.590 ( 0.967 1.887 -1.746) 2.747 16.152 ( -2.124 -4.515 3.703) 6.213 16.152 ( -2.124 4.515 3.703) 6.213 16.255 ( -1.069 -3.695 -0.066) 3.847 16.255 ( -1.069 3.695 -0.066) 3.847 16.951 ( 3.600 -4.702 -0.776) 5.973 16.951 ( 3.600 4.702 -0.776) 5.973 17.638 ( -11.637 -3.743 -0.989) 12.264 17.638 ( -11.637 3.743 -0.989) 12.264 20.406 ( 11.713 -2.629 0.205) 12.007 20.406 ( 11.713 2.629 0.205) 12.007 20.606 ( 4.035 -3.186 -1.203) 5.280 20.606 ( 4.035 3.186 -1.203) 5.280 25.341 ( 2.004 -1.128 -0.099) 2.301 25.341 ( 2.004 1.128 -0.099) 2.301 25.465 ( 0.579 -0.444 -0.468) 0.867 25.465 ( 0.579 0.444 -0.468) 0.867 26.246 ( -1.394 -4.665 0.081) 4.869 26.246 ( -1.394 4.665 0.081) 4.869 26.682 ( 3.670 -1.118 1.704) 4.198 26.682 ( 3.670 1.118 1.704) 4.198 27.355 ( -0.444 -1.048 4.355) 4.501 27.355 ( -0.444 1.048 4.355) 4.501 27.497 ( 3.628 -3.713 8.400) 9.875 27.497 ( 3.628 3.713 8.400) 9.875 27.933 ( -3.474 -2.796 -3.269) 5.529 27.933 ( -3.474 2.796 -3.269) 5.529 28.105 ( -1.921 -0.455 -3.918) 4.387 28.105 ( -1.921 0.455 -3.918) 4.387 28.648 ( -11.014 -8.159 -2.232) 13.887 28.648 ( -11.014 8.159 -2.232) 13.887 29.064 ( -4.309 -13.184 -2.875) 14.165 29.064 ( -4.309 13.184 -2.875) 14.165 29.429 ( -0.205 -1.479 2.554) 2.959 29.429 ( -0.205 1.479 2.554) 2.959 29.644 ( -1.838 -3.432 -1.453) 4.155 29.644 ( -1.838 3.432 -1.453) 4.155 30.991 ( 1.493 -15.606 3.094) 15.980 30.991 ( 1.493 15.606 3.094) 15.980 31.820 ( 10.140 -7.507 -2.517) 12.865 31.820 ( 10.140 7.507 -2.517) 12.865 ======================= Grid point 82 (44/72) ======================= q-point: (-0.14 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -16.329 -8.088 -5.118) 18.927 1.898 ( -16.329 8.088 -5.118) 18.927 2.123 ( -2.149 -11.016 1.161) 11.284 2.123 ( -2.149 11.016 1.161) 11.284 2.270 ( -13.708 -2.952 -0.010) 14.022 2.270 ( -13.708 2.952 -0.010) 14.022 2.596 ( -0.789 -1.529 -4.723) 5.027 2.596 ( -0.789 1.529 -4.723) 5.027 2.724 ( -4.797 -9.067 2.862) 10.649 2.724 ( -4.797 9.067 2.862) 10.649 3.026 ( -9.258 -2.058 3.331) 10.051 3.026 ( -9.258 2.058 3.331) 10.051 3.277 ( -6.370 -5.501 1.165) 8.497 3.277 ( -6.370 5.501 1.165) 8.497 3.660 ( -1.918 -2.205 -6.792) 7.394 3.660 ( -1.918 2.205 -6.792) 7.394 3.904 ( -0.717 -4.256 7.603) 8.743 3.904 ( -0.717 4.256 7.603) 8.743 4.138 ( -3.730 -5.855 1.461) 7.094 4.138 ( -3.730 5.855 1.461) 7.094 4.285 ( -0.639 -3.874 3.968) 5.582 4.285 ( -0.639 3.874 3.968) 5.582 4.369 ( -5.614 -2.912 5.835) 8.605 4.369 ( -5.614 2.912 5.835) 8.605 4.723 ( -2.674 -6.373 1.457) 7.063 4.723 ( -2.674 6.373 1.457) 7.063 4.838 ( 6.419 -6.421 1.587) 9.217 4.838 ( 6.419 6.421 1.587) 9.217 5.244 ( 2.743 -12.568 6.961) 14.626 5.244 ( 2.743 12.568 6.961) 14.626 5.584 ( -0.492 -3.441 -2.377) 4.211 5.584 ( -0.492 3.441 -2.377) 4.211 5.802 ( -0.195 -3.999 -2.379) 4.657 5.802 ( -0.195 3.999 -2.379) 4.657 5.883 ( -2.684 -7.293 -2.786) 8.256 5.883 ( -2.684 7.293 -2.786) 8.256 6.369 ( -3.756 -3.596 2.640) 5.832 6.369 ( -3.756 3.596 2.640) 5.832 6.494 ( 3.132 -8.094 -5.388) 10.215 6.494 ( 3.132 8.094 -5.388) 10.215 6.637 ( 2.549 -6.386 3.123) 7.552 6.637 ( 2.549 6.386 3.123) 7.552 6.959 ( 8.502 -4.415 0.941) 9.626 6.959 ( 8.502 4.415 0.941) 9.626 7.172 ( -3.236 -2.371 3.201) 5.132 7.172 ( -3.236 2.371 3.201) 5.132 7.562 ( 0.161 -0.513 -1.651) 1.736 7.562 ( 0.161 0.513 -1.651) 1.736 7.734 ( 3.361 -6.943 0.325) 7.721 7.734 ( 3.361 6.943 0.325) 7.721 7.952 ( 1.768 -1.370 2.401) 3.281 7.952 ( 1.768 1.370 2.401) 3.281 8.121 ( 5.470 -10.167 -4.095) 12.250 8.121 ( 5.470 10.167 -4.095) 12.250 8.603 ( 1.505 -1.511 2.137) 3.019 8.603 ( 1.505 1.511 2.137) 3.019 8.918 ( 3.602 -0.915 -2.810) 4.659 8.918 ( 3.602 0.915 -2.810) 4.659 9.523 ( -1.664 -5.003 1.780) 5.565 9.523 ( -1.664 5.003 1.780) 5.565 9.749 ( -4.368 -3.144 -1.731) 5.653 9.749 ( -4.368 3.144 -1.731) 5.653 10.108 ( 1.815 -2.465 0.152) 3.065 10.108 ( 1.815 2.465 0.152) 3.065 10.350 ( 6.748 -6.865 -7.275) 12.066 10.350 ( 6.748 6.865 -7.275) 12.066 10.631 ( 6.904 -3.425 2.063) 7.978 10.631 ( 6.904 3.425 2.063) 7.978 11.320 ( 4.138 -3.804 -2.202) 6.037 11.320 ( 4.138 3.804 -2.202) 6.037 11.601 ( 4.594 -1.113 -0.829) 4.799 11.601 ( 4.594 1.113 -0.829) 4.799 11.990 ( 1.510 -7.567 -3.606) 8.517 11.990 ( 1.510 7.567 -3.606) 8.517 12.455 ( 4.799 -3.757 -3.268) 6.915 12.455 ( 4.799 3.757 -3.268) 6.915 12.756 ( 1.744 -5.295 -1.126) 5.688 12.756 ( 1.744 5.295 -1.126) 5.688 13.047 ( 1.645 -5.572 0.645) 5.846 13.047 ( 1.645 5.572 0.645) 5.846 13.627 ( -8.968 -2.024 0.287) 9.198 13.627 ( -8.968 2.024 0.287) 9.198 13.793 ( -14.365 -1.629 -1.617) 14.547 13.793 ( -14.365 1.629 -1.617) 14.547 14.233 ( -7.692 -4.640 1.004) 9.040 14.233 ( -7.692 4.640 1.004) 9.040 14.627 ( -3.685 -4.070 -1.835) 5.789 14.627 ( -3.685 4.070 -1.835) 5.789 15.384 ( 0.428 -0.365 2.084) 2.159 15.384 ( 0.428 0.365 2.084) 2.159 15.615 ( 2.532 -0.448 -0.134) 2.575 15.615 ( 2.532 0.448 -0.134) 2.575 16.154 ( -2.691 -4.256 1.331) 5.209 16.154 ( -2.691 4.256 1.331) 5.209 16.202 ( -2.896 -2.907 3.097) 5.141 16.202 ( -2.896 2.907 3.097) 5.141 17.006 ( 3.015 -5.934 -0.906) 6.717 17.006 ( 3.015 5.934 -0.906) 6.717 17.459 ( -6.552 -3.758 0.166) 7.555 17.459 ( -6.552 3.758 0.166) 7.555 20.582 ( 5.521 -1.900 0.025) 5.839 20.582 ( 5.521 1.900 0.025) 5.839 20.696 ( 6.631 -4.684 -1.350) 8.230 20.696 ( 6.631 4.684 -1.350) 8.230 25.372 ( 1.415 -1.777 -0.394) 2.306 25.372 ( 1.415 1.777 -0.394) 2.306 25.473 ( 0.410 -0.427 -0.169) 0.616 25.473 ( 0.410 0.427 -0.169) 0.616 26.234 ( -0.571 -5.087 2.107) 5.536 26.234 ( -0.571 5.087 2.107) 5.536 26.767 ( 3.938 -1.821 1.323) 4.536 26.767 ( 3.938 1.821 1.323) 4.536 27.340 ( -3.580 -1.168 1.112) 3.927 27.340 ( -3.580 1.168 1.112) 3.927 27.602 ( 2.776 -0.747 -5.805) 6.478 27.602 ( 2.776 0.747 -5.805) 6.478 27.855 ( -1.130 -1.317 0.981) 1.993 27.855 ( -1.130 1.317 0.981) 1.993 28.029 ( -3.681 -1.982 -5.996) 7.310 28.029 ( -3.681 1.982 -5.996) 7.310 28.445 ( -8.333 -11.014 6.586) 15.301 28.445 ( -8.333 11.014 6.586) 15.301 28.983 ( -3.007 -11.194 0.202) 11.592 28.983 ( -3.007 11.194 0.202) 11.592 29.453 ( 0.560 -1.370 2.402) 2.821 29.453 ( 0.560 1.370 2.402) 2.821 29.609 ( -1.372 -0.731 0.214) 1.569 29.609 ( -1.372 0.731 0.214) 1.569 31.050 ( 1.428 -15.972 4.054) 16.540 31.050 ( 1.428 15.972 4.054) 16.540 31.981 ( 8.271 -7.263 -2.249) 11.235 31.981 ( 8.271 7.263 -2.249) 11.235 ======================= Grid point 98 (45/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -9.002 0.000 25.615) 27.151 1.727 ( 15.208 0.000 -18.636) 24.053 1.789 ( -3.247 0.000 27.621) 27.811 2.027 ( 7.160 0.000 -7.978) 10.720 2.110 ( -9.455 0.000 2.110) 9.688 2.387 ( 3.813 0.000 1.809) 4.221 2.488 ( 2.185 0.000 1.141) 2.465 2.580 ( -9.465 0.000 -6.766) 11.635 2.639 ( 4.442 0.000 24.772) 25.167 2.723 ( 0.265 0.000 6.349) 6.355 2.795 ( -2.092 0.000 1.455) 2.548 3.037 ( 2.561 0.000 -6.302) 6.802 3.160 ( 0.899 0.000 -1.321) 1.598 3.187 ( -2.090 0.000 -2.450) 3.220 3.675 ( 1.933 0.000 19.332) 19.428 3.794 ( -5.946 0.000 13.702) 14.936 3.897 ( -7.353 0.000 0.686) 7.385 3.939 ( -3.642 0.000 3.117) 4.793 4.108 ( 2.202 0.000 0.443) 2.246 4.275 ( 0.994 0.000 4.984) 5.082 4.310 ( 0.685 0.000 -7.216) 7.249 4.476 ( 7.448 0.000 -12.980) 14.965 4.557 ( -6.703 0.000 9.026) 11.243 4.589 ( 6.677 0.000 0.402) 6.689 4.616 ( -5.280 0.000 0.780) 5.337 4.700 ( 5.057 0.000 -8.189) 9.625 4.758 ( -8.370 0.000 -4.900) 9.699 4.878 ( 6.272 0.000 -21.309) 22.213 5.059 ( -8.713 0.000 10.899) 13.953 5.171 ( -11.513 0.000 11.553) 16.310 5.284 ( 8.808 0.000 -3.137) 9.350 5.378 ( -2.325 0.000 9.367) 9.652 5.437 ( 12.497 0.000 -8.130) 14.909 5.627 ( 1.107 0.000 -7.527) 7.608 5.873 ( 0.305 0.000 -0.437) 0.533 5.996 ( -7.263 0.000 -6.505) 9.750 5.999 ( 10.659 0.000 -4.455) 11.552 6.059 ( -4.087 0.000 -12.710) 13.351 6.588 ( 3.317 0.000 5.605) 6.513 6.604 ( -2.884 0.000 3.649) 4.651 6.635 ( 0.638 0.000 3.816) 3.869 6.745 ( 3.067 0.000 -7.797) 8.378 6.919 ( -7.451 0.000 0.631) 7.477 6.992 ( -0.365 0.000 -2.682) 2.706 7.097 ( 10.739 0.000 1.450) 10.837 7.173 ( -3.823 0.000 -6.153) 7.244 7.328 ( -7.610 0.000 17.488) 19.072 7.590 ( 3.172 0.000 -2.276) 3.904 7.779 ( -1.550 0.000 -3.858) 4.158 7.875 ( 0.030 0.000 -11.979) 11.979 8.066 ( 3.022 0.000 2.847) 4.151 8.134 ( -3.101 0.000 -1.237) 3.339 8.346 ( -3.093 0.000 5.055) 5.926 8.413 ( 5.028 0.000 0.218) 5.033 8.793 ( 6.676 0.000 2.418) 7.101 8.876 ( -7.341 0.000 -5.083) 8.929 9.277 ( 1.585 0.000 3.384) 3.737 9.343 ( -3.867 0.000 -2.854) 4.806 9.601 ( -2.408 0.000 3.964) 4.638 9.625 ( 0.716 0.000 3.945) 4.010 9.709 ( 2.583 0.000 5.508) 6.084 9.740 ( 5.859 0.000 2.367) 6.319 9.843 ( -4.724 0.000 0.535) 4.754 9.954 ( 4.036 0.000 -11.898) 12.564 10.467 ( -2.656 0.000 -0.646) 2.734 10.469 ( 0.787 0.000 0.505) 0.935 10.944 ( -4.097 0.000 6.093) 7.343 11.003 ( 11.433 0.000 -1.831) 11.579 11.266 ( -5.666 0.000 1.764) 5.934 11.440 ( 6.134 0.000 -11.556) 13.083 11.651 ( 1.715 0.000 10.556) 10.694 11.791 ( -7.432 0.000 -2.057) 7.711 12.025 ( 4.816 0.000 4.807) 6.805 12.092 ( -21.016 0.000 -0.786) 21.031 12.197 ( 12.895 0.000 -9.400) 15.957 12.211 ( 1.326 0.000 -8.343) 8.448 12.693 ( -9.909 0.000 9.394) 13.654 12.838 ( 6.653 0.000 -3.636) 7.582 13.130 ( 5.360 0.000 4.992) 7.325 13.256 ( -8.231 0.000 -6.143) 10.271 13.364 ( -0.674 0.000 1.933) 2.047 13.424 ( 1.398 0.000 -3.471) 3.742 13.623 ( -8.229 0.000 1.233) 8.321 13.655 ( 8.799 0.000 -1.753) 8.972 14.276 ( -2.077 0.000 2.997) 3.647 14.331 ( 2.454 0.000 -2.165) 3.273 14.661 ( -7.648 0.000 1.510) 7.796 14.711 ( 11.407 0.000 -3.110) 11.824 15.350 ( -2.494 0.000 2.222) 3.340 15.401 ( 1.930 0.000 -1.990) 2.772 15.496 ( -1.195 0.000 3.455) 3.656 15.547 ( 0.702 0.000 -1.148) 1.346 15.781 ( -0.298 0.000 4.459) 4.468 15.901 ( 0.503 0.000 -5.921) 5.942 16.241 ( 3.033 0.000 5.571) 6.343 16.326 ( 0.286 0.000 -1.856) 1.878 16.861 ( -3.445 0.000 3.960) 5.249 16.913 ( 3.024 0.000 -1.264) 3.278 17.254 ( -4.100 0.000 5.247) 6.659 17.390 ( 2.670 0.000 -6.903) 7.401 20.382 ( 0.600 0.000 2.465) 2.537 20.442 ( -0.455 0.000 -3.113) 3.146 20.840 ( -1.087 0.000 5.665) 5.768 20.953 ( 0.779 0.000 -4.641) 4.706 25.362 ( 0.560 0.000 2.140) 2.212 25.393 ( -0.991 0.000 -0.268) 1.027 25.447 ( -0.106 0.000 -1.113) 1.118 25.453 ( 1.312 0.000 -1.284) 1.836 26.064 ( 1.484 0.000 4.092) 4.353 26.146 ( -1.378 0.000 -3.129) 3.419 26.818 ( 4.652 0.000 5.560) 7.249 26.905 ( -1.108 0.000 0.885) 1.418 26.916 ( 3.043 0.000 -0.681) 3.119 27.009 ( -11.690 0.000 -10.849) 15.948 27.169 ( -7.370 0.000 0.883) 7.423 27.176 ( 6.440 0.000 -0.017) 6.440 27.840 ( -0.214 0.000 4.300) 4.305 27.931 ( 1.277 0.000 -3.539) 3.762 27.984 ( 7.069 0.000 1.352) 7.197 27.998 ( -5.266 0.000 0.013) 5.266 28.348 ( -0.202 0.000 4.910) 4.914 28.433 ( 2.417 0.000 -2.872) 3.754 29.055 ( -8.448 0.000 14.588) 16.858 29.346 ( 5.798 0.000 -9.331) 10.986 29.437 ( -2.134 0.000 2.025) 2.942 29.506 ( 3.450 0.000 -3.212) 4.714 29.588 ( 3.408 0.000 -2.908) 4.480 29.615 ( -2.290 0.000 -1.563) 2.773 31.215 ( 7.702 0.000 13.747) 15.757 31.511 ( -1.112 0.000 -13.658) 13.703 32.572 ( 9.808 0.000 2.962) 10.246 32.626 ( -16.390 0.000 -2.168) 16.533 ======================= Grid point 99 (46/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 23.044 0.000 12.221) 26.084 1.909 ( 7.909 0.000 -6.964) 10.538 2.055 ( 21.288 0.000 -5.635) 22.022 2.173 ( 4.718 0.000 19.612) 20.172 2.241 ( 16.123 0.000 -10.106) 19.029 2.326 ( 2.928 0.000 -5.506) 6.236 2.422 ( -1.006 0.000 -3.937) 4.064 2.647 ( 3.634 0.000 6.029) 7.039 2.799 ( 4.561 0.000 5.863) 7.428 2.838 ( 10.609 0.000 -0.833) 10.642 2.940 ( 7.486 0.000 14.170) 16.026 3.001 ( 4.628 0.000 -17.082) 17.698 3.160 ( 2.162 0.000 -2.312) 3.165 3.197 ( 3.138 0.000 1.332) 3.409 3.763 ( -8.919 0.000 7.062) 11.377 3.764 ( -6.645 0.000 16.231) 17.539 3.873 ( -0.754 0.000 -4.712) 4.772 3.914 ( 0.632 0.000 25.555) 25.563 4.136 ( 0.751 0.000 -4.937) 4.993 4.297 ( -3.484 0.000 4.773) 5.909 4.310 ( 6.387 0.000 -12.610) 14.136 4.377 ( -9.056 0.000 5.078) 10.382 4.458 ( 2.537 0.000 -14.288) 14.512 4.591 ( -3.969 0.000 -5.106) 6.467 4.634 ( 6.198 0.000 1.869) 6.474 4.677 ( -0.910 0.000 -1.001) 1.353 4.795 ( 9.111 0.000 5.295) 10.538 4.805 ( -11.144 0.000 -2.699) 11.466 4.986 ( -9.320 0.000 12.148) 15.311 5.216 ( 12.072 0.000 3.602) 12.598 5.343 ( 0.577 0.000 1.391) 1.506 5.419 ( 8.180 0.000 -9.739) 12.719 5.610 ( 3.927 0.000 -11.010) 11.689 5.715 ( 14.195 0.000 -0.416) 14.201 5.807 ( -3.241 0.000 -6.918) 7.640 5.893 ( -4.354 0.000 -4.497) 6.259 5.975 ( 5.724 0.000 9.185) 10.823 6.065 ( -2.224 0.000 -3.250) 3.939 6.623 ( -6.605 0.000 -1.962) 6.890 6.646 ( 3.146 0.000 -1.884) 3.667 6.676 ( 3.564 0.000 3.134) 4.746 6.735 ( 0.558 0.000 -6.707) 6.730 6.788 ( -1.965 0.000 9.930) 10.123 6.932 ( -6.722 0.000 -1.759) 6.948 7.138 ( 4.823 0.000 -10.639) 11.681 7.236 ( 2.398 0.000 3.374) 4.139 7.396 ( -0.969 0.000 18.242) 18.268 7.606 ( 1.339 0.000 -3.352) 3.610 7.714 ( -3.047 0.000 -0.247) 3.057 7.797 ( -0.946 0.000 -6.236) 6.307 8.059 ( -2.041 0.000 -3.329) 3.904 8.075 ( -5.790 0.000 4.033) 7.056 8.319 ( -3.052 0.000 2.050) 3.677 8.480 ( 2.757 0.000 -2.955) 4.041 8.612 ( -16.246 0.000 -4.288) 16.802 8.846 ( -2.763 0.000 2.966) 4.053 9.283 ( 0.289 0.000 -0.527) 0.601 9.296 ( -4.014 0.000 4.680) 6.166 9.560 ( -10.190 0.000 3.545) 10.789 9.600 ( -1.553 0.000 -0.638) 1.679 9.651 ( -9.420 0.000 -2.458) 9.735 9.767 ( 5.066 0.000 -5.448) 7.439 9.914 ( 9.581 0.000 3.854) 10.327 9.938 ( -1.287 0.000 -7.304) 7.417 10.389 ( -5.455 0.000 2.867) 6.163 10.454 ( -3.014 0.000 0.802) 3.119 10.716 ( -18.650 0.000 -4.642) 19.219 10.960 ( -11.929 0.000 -0.632) 11.946 11.239 ( -1.268 0.000 6.308) 6.434 11.419 ( -7.158 0.000 -1.064) 7.236 11.534 ( 1.708 0.000 -5.300) 5.568 11.648 ( -6.555 0.000 8.644) 10.849 11.985 ( -1.338 0.000 4.572) 4.763 12.097 ( 0.425 0.000 -7.614) 7.625 12.327 ( 8.467 0.000 6.604) 10.738 12.365 ( 8.781 0.000 -10.875) 13.978 12.612 ( -5.506 0.000 8.812) 10.391 12.858 ( -1.843 0.000 2.655) 3.232 13.088 ( -0.097 0.000 -8.723) 8.723 13.139 ( -3.281 0.000 3.749) 4.982 13.468 ( 5.597 0.000 0.224) 5.602 13.576 ( 4.544 0.000 1.404) 4.756 13.652 ( 17.662 0.000 4.442) 18.212 13.877 ( 13.364 0.000 -2.706) 13.635 14.274 ( -0.419 0.000 3.040) 3.069 14.394 ( 6.480 0.000 -3.966) 7.598 14.623 ( 1.535 0.000 0.801) 1.731 15.003 ( 21.591 0.000 -6.144) 22.448 15.330 ( -0.988 0.000 2.261) 2.468 15.423 ( 1.801 0.000 -1.577) 2.394 15.512 ( -0.362 0.000 3.112) 3.133 15.554 ( 0.821 0.000 -1.927) 2.095 15.818 ( 0.562 0.000 4.833) 4.866 15.877 ( 1.669 0.000 -6.217) 6.437 16.261 ( -3.994 0.000 -5.459) 6.764 16.298 ( 1.003 0.000 0.625) 1.182 16.865 ( 0.630 0.000 0.399) 0.746 16.980 ( 4.258 0.000 -0.155) 4.261 17.247 ( -1.883 0.000 7.602) 7.832 17.441 ( 8.200 0.000 -4.576) 9.390 20.378 ( -3.871 0.000 -2.685) 4.712 20.385 ( -1.995 0.000 2.352) 3.084 20.790 ( -7.787 0.000 5.610) 9.597 20.848 ( -7.768 0.000 -5.210) 9.353 25.378 ( -0.141 0.000 -1.114) 1.123 25.398 ( 1.230 0.000 2.281) 2.592 25.439 ( 0.122 0.000 -0.390) 0.409 25.464 ( 1.400 0.000 -2.098) 2.522 26.082 ( -2.491 0.000 -3.518) 4.311 26.116 ( 0.943 0.000 3.624) 3.745 26.670 ( -13.789 0.000 -4.980) 14.661 26.735 ( -8.162 0.000 3.548) 8.900 27.049 ( 8.049 0.000 -0.479) 8.063 27.073 ( -3.376 0.000 2.846) 4.416 27.143 ( 12.125 0.000 7.757) 14.394 27.322 ( 8.592 0.000 -0.406) 8.602 27.867 ( -1.322 0.000 2.898) 3.185 27.912 ( -1.698 0.000 -1.364) 2.178 27.938 ( 2.993 0.000 -5.047) 5.868 28.089 ( 3.341 0.000 -0.463) 3.373 28.399 ( 2.957 0.000 2.146) 3.654 28.476 ( 4.678 0.000 -5.751) 7.413 29.065 ( -1.507 0.000 15.152) 15.227 29.347 ( 0.031 0.000 -5.283) 5.283 29.378 ( -5.166 0.000 2.285) 5.648 29.542 ( 4.762 0.000 -7.647) 9.008 29.611 ( 2.490 0.000 -0.872) 2.638 29.694 ( 8.335 0.000 -1.313) 8.438 31.359 ( -2.736 0.000 -16.382) 16.609 31.404 ( 4.554 0.000 5.598) 7.217 32.208 ( -27.268 0.000 6.862) 28.118 32.649 ( -4.654 0.000 3.868) 6.051 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.604 0.000 -12.614) 12.628 1.991 ( 15.377 0.000 -6.850) 16.833 2.230 ( 3.515 0.000 -11.110) 11.653 2.241 ( -4.515 0.000 4.305) 6.238 2.336 ( 9.785 0.000 -0.520) 9.799 2.509 ( 3.663 0.000 10.427) 11.051 2.624 ( 8.666 0.000 9.713) 13.017 2.666 ( 0.189 0.000 0.710) 0.734 2.928 ( 6.097 0.000 -5.093) 7.944 3.075 ( 7.187 0.000 1.941) 7.445 3.120 ( 9.635 0.000 -1.021) 9.689 3.181 ( 12.806 0.000 -2.520) 13.052 3.288 ( 22.366 0.000 -4.486) 22.811 3.320 ( 10.977 0.000 2.806) 11.330 3.706 ( -3.615 0.000 8.293) 9.047 3.714 ( -10.987 0.000 9.120) 14.279 3.879 ( 4.101 0.000 4.157) 5.840 3.960 ( -6.090 0.000 -2.292) 6.507 4.090 ( -2.522 0.000 18.755) 18.924 4.188 ( -4.272 0.000 0.941) 4.374 4.371 ( 12.064 0.000 -15.886) 19.947 4.401 ( 0.724 0.000 -9.190) 9.218 4.483 ( -6.112 0.000 -1.636) 6.327 4.535 ( -11.454 0.000 -2.762) 11.783 4.595 ( 13.140 0.000 10.496) 16.817 4.688 ( -3.646 0.000 -0.110) 3.648 4.706 ( 3.032 0.000 6.457) 7.133 4.924 ( -0.862 0.000 2.438) 2.586 5.029 ( 8.996 0.000 9.067) 12.773 5.367 ( -5.896 0.000 8.436) 10.292 5.452 ( 9.886 0.000 -11.918) 15.485 5.526 ( 5.313 0.000 -11.720) 12.868 5.578 ( 14.132 0.000 -2.734) 14.394 5.731 ( -2.524 0.000 -4.289) 4.977 5.834 ( 5.678 0.000 0.219) 5.683 5.924 ( 1.929 0.000 0.486) 1.989 6.075 ( 3.317 0.000 2.693) 4.273 6.199 ( 11.258 0.000 7.475) 13.514 6.331 ( -12.200 0.000 -2.017) 12.366 6.622 ( -7.188 0.000 -6.313) 9.566 6.689 ( -13.391 0.000 -5.556) 14.498 6.727 ( -0.036 0.000 6.978) 6.978 6.814 ( 4.915 0.000 5.067) 7.059 6.972 ( 13.171 0.000 -0.385) 13.177 7.106 ( -0.609 0.000 -12.723) 12.738 7.223 ( -8.012 0.000 5.637) 9.796 7.446 ( -8.559 0.000 15.599) 17.792 7.605 ( -0.449 0.000 0.907) 1.012 7.717 ( 3.172 0.000 1.810) 3.652 7.719 ( -8.670 0.000 1.269) 8.763 7.922 ( -7.054 0.000 -2.379) 7.445 8.013 ( -0.414 0.000 -5.598) 5.613 8.234 ( -10.220 0.000 0.298) 10.225 8.337 ( -3.848 0.000 -4.572) 5.976 8.439 ( -6.313 0.000 -0.879) 6.374 8.772 ( -4.811 0.000 -3.288) 5.827 9.205 ( -6.395 0.000 2.840) 6.997 9.284 ( -0.677 0.000 -4.318) 4.371 9.431 ( -3.191 0.000 4.189) 5.266 9.474 ( -5.582 0.000 1.981) 5.923 9.632 ( 1.945 0.000 -2.853) 3.453 9.735 ( -3.229 0.000 -8.554) 9.143 9.888 ( 3.263 0.000 -4.121) 5.256 10.098 ( 5.784 0.000 3.946) 7.001 10.305 ( -7.357 0.000 -3.778) 8.270 10.374 ( -5.553 0.000 -0.463) 5.572 10.390 ( -8.392 0.000 3.503) 9.094 10.734 ( -11.339 0.000 2.962) 11.719 11.283 ( -0.095 0.000 8.558) 8.559 11.339 ( -2.569 0.000 2.058) 3.291 11.585 ( 5.937 0.000 -6.227) 8.604 11.588 ( -4.980 0.000 4.203) 6.516 11.960 ( -2.777 0.000 -3.207) 4.242 12.020 ( -1.178 0.000 -10.450) 10.517 12.387 ( 1.237 0.000 -2.408) 2.708 12.395 ( -3.930 0.000 5.487) 6.749 12.644 ( 2.512 0.000 5.457) 6.007 12.884 ( 1.437 0.000 -0.107) 1.441 13.052 ( 3.305 0.000 -7.350) 8.059 13.141 ( -1.809 0.000 5.998) 6.265 13.574 ( 4.706 0.000 2.900) 5.527 13.712 ( 7.549 0.000 1.829) 7.767 14.048 ( 15.838 0.000 9.915) 18.686 14.075 ( 10.557 0.000 -3.007) 10.977 14.303 ( 0.296 0.000 4.712) 4.721 14.497 ( 8.501 0.000 -6.483) 10.691 14.692 ( 3.855 0.000 2.801) 4.765 15.232 ( 2.657 0.000 -1.552) 3.077 15.409 ( 8.151 0.000 -1.667) 8.320 15.440 ( 1.044 0.000 -1.093) 1.511 15.524 ( 2.043 0.000 0.856) 2.216 15.537 ( -0.615 0.000 -2.503) 2.577 15.862 ( 0.253 0.000 3.182) 3.192 15.870 ( 2.763 0.000 -7.072) 7.592 16.145 ( -2.768 0.000 -4.919) 5.645 16.285 ( -0.006 0.000 -5.543) 5.543 16.880 ( 0.684 0.000 -0.370) 0.778 17.025 ( 0.204 0.000 -0.340) 0.396 17.308 ( 1.845 0.000 11.003) 11.157 17.619 ( 11.120 0.000 -0.279) 11.124 20.281 ( -4.269 0.000 -1.501) 4.525 20.353 ( -2.967 0.000 1.652) 3.396 20.639 ( -8.820 0.000 -5.155) 10.216 20.675 ( -7.864 0.000 4.219) 8.924 25.371 ( 0.542 0.000 -1.468) 1.565 25.416 ( -0.775 0.000 0.956) 1.231 25.454 ( 1.251 0.000 1.178) 1.718 25.494 ( 3.320 0.000 -1.371) 3.592 26.022 ( -1.334 0.000 -2.332) 2.686 26.147 ( 0.431 0.000 0.847) 0.951 26.423 ( -10.154 0.000 -1.137) 10.217 26.600 ( -7.711 0.000 0.248) 7.715 27.090 ( 0.700 0.000 7.066) 7.101 27.207 ( 6.945 0.000 2.994) 7.562 27.401 ( 7.810 0.000 11.232) 13.681 27.472 ( 8.241 0.000 -1.690) 8.412 27.826 ( -1.543 0.000 -1.071) 1.878 27.922 ( 0.664 0.000 0.930) 1.143 27.956 ( 2.830 0.000 -5.691) 6.356 28.125 ( 1.898 0.000 -0.680) 2.017 28.483 ( 5.237 0.000 -0.547) 5.266 28.488 ( 2.824 0.000 -8.242) 8.712 29.177 ( 0.480 0.000 8.093) 8.108 29.270 ( -5.337 0.000 -1.976) 5.691 29.308 ( -5.086 0.000 7.811) 9.321 29.580 ( 6.670 0.000 -10.902) 12.781 29.691 ( 5.867 0.000 1.639) 6.091 29.824 ( 5.504 0.000 0.408) 5.519 31.205 ( 0.597 0.000 -17.330) 17.340 31.407 ( -10.520 0.000 2.900) 10.912 31.865 ( -12.194 0.000 9.300) 15.336 32.479 ( -13.659 0.000 -0.595) 13.672 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.287 0.000 -5.177) 6.722 2.098 ( 2.908 0.000 -11.472) 11.835 2.136 ( -11.156 0.000 4.730) 12.118 2.212 ( 1.925 0.000 -8.289) 8.509 2.413 ( 2.569 0.000 1.244) 2.854 2.533 ( -8.001 0.000 0.106) 8.002 2.663 ( 2.299 0.000 9.362) 9.640 2.795 ( 2.742 0.000 1.075) 2.945 3.046 ( 9.041 0.000 -1.915) 9.242 3.064 ( -6.183 0.000 3.887) 7.303 3.269 ( 3.233 0.000 -2.582) 4.137 3.323 ( 3.128 0.000 5.060) 5.949 3.522 ( 4.825 0.000 2.035) 5.237 3.614 ( 11.022 0.000 -2.664) 11.340 3.639 ( 3.067 0.000 -0.433) 3.097 3.695 ( -2.690 0.000 2.210) 3.482 3.817 ( -8.993 0.000 13.008) 15.814 4.055 ( -4.341 0.000 11.311) 12.115 4.183 ( 2.414 0.000 1.368) 2.775 4.243 ( 3.452 0.000 7.748) 8.482 4.263 ( -8.162 0.000 -5.082) 9.615 4.438 ( 11.834 0.000 6.120) 13.323 4.501 ( 7.533 0.000 -8.682) 11.495 4.579 ( 17.536 0.000 -9.700) 20.040 4.601 ( -3.170 0.000 1.370) 3.453 4.662 ( -5.467 0.000 2.018) 5.828 4.797 ( -7.284 0.000 -5.928) 9.391 4.927 ( -0.830 0.000 7.148) 7.196 5.189 ( 3.005 0.000 0.570) 3.059 5.403 ( 9.116 0.000 13.857) 16.587 5.482 ( 2.967 0.000 -12.863) 13.201 5.571 ( 14.198 0.000 -15.331) 20.896 5.654 ( -20.494 0.000 -1.009) 20.519 5.740 ( 0.422 0.000 -4.052) 4.074 5.870 ( 4.875 0.000 8.629) 9.911 6.079 ( 15.394 0.000 9.691) 18.191 6.096 ( 9.595 0.000 -2.381) 9.886 6.298 ( -11.253 0.000 -5.245) 12.416 6.393 ( 4.713 0.000 3.783) 6.043 6.398 ( -13.633 0.000 -6.085) 14.929 6.556 ( 14.094 0.000 0.509) 14.103 6.705 ( -10.567 0.000 4.788) 11.601 6.852 ( -6.981 0.000 -0.613) 7.008 6.924 ( -6.447 0.000 -11.156) 12.885 7.134 ( -2.111 0.000 11.558) 11.749 7.150 ( 3.668 0.000 6.170) 7.178 7.343 ( -11.966 0.000 10.964) 16.229 7.547 ( 1.596 0.000 -5.177) 5.417 7.643 ( 3.154 0.000 -0.694) 3.229 7.808 ( 3.316 0.000 2.870) 4.385 7.901 ( 3.881 0.000 -2.409) 4.568 7.916 ( -4.697 0.000 -8.135) 9.393 8.072 ( -4.777 0.000 0.723) 4.831 8.264 ( -9.485 0.000 -2.357) 9.773 8.333 ( 2.898 0.000 -0.766) 2.998 8.611 ( -6.847 0.000 -9.970) 12.095 9.164 ( -1.784 0.000 6.160) 6.413 9.315 ( 7.742 0.000 -2.968) 8.291 9.394 ( -5.626 0.000 2.106) 6.007 9.396 ( -2.691 0.000 -4.028) 4.844 9.621 ( -4.023 0.000 -2.386) 4.677 9.642 ( 1.947 0.000 -4.177) 4.608 9.981 ( 7.930 0.000 1.268) 8.031 10.145 ( -3.563 0.000 4.192) 5.501 10.194 ( 1.416 0.000 -4.086) 4.324 10.245 ( -8.146 0.000 -1.722) 8.326 10.387 ( -1.221 0.000 9.803) 9.879 10.612 ( -2.554 0.000 -1.731) 3.085 11.342 ( 0.349 0.000 4.825) 4.837 11.358 ( -0.253 0.000 11.768) 11.770 11.532 ( -1.920 0.000 -0.877) 2.111 11.639 ( 3.913 0.000 -4.703) 6.118 11.850 ( -3.580 0.000 -7.696) 8.488 11.906 ( -2.707 0.000 -10.071) 10.429 12.357 ( -3.813 0.000 5.905) 7.030 12.411 ( 1.678 0.000 1.060) 1.984 12.740 ( 4.704 0.000 1.028) 4.815 12.843 ( -2.806 0.000 -4.439) 5.251 13.125 ( -4.973 0.000 6.261) 7.996 13.132 ( 7.738 0.000 -2.930) 8.274 13.681 ( 3.816 0.000 4.784) 6.119 13.815 ( 2.326 0.000 -0.851) 2.477 14.211 ( 6.072 0.000 -2.653) 6.627 14.235 ( -0.892 0.000 1.274) 1.555 14.393 ( 2.326 0.000 10.580) 10.833 14.592 ( 6.707 0.000 -7.667) 10.187 14.811 ( 5.405 0.000 8.426) 10.010 15.188 ( -4.004 0.000 -3.971) 5.639 15.429 ( -2.251 0.000 2.297) 3.216 15.457 ( 1.722 0.000 -0.193) 1.733 15.516 ( 0.409 0.000 -1.843) 1.887 15.590 ( 1.009 0.000 -4.075) 4.198 15.847 ( -2.814 0.000 -0.231) 2.824 15.865 ( 2.565 0.000 -7.063) 7.514 16.119 ( 0.607 0.000 1.170) 1.318 16.262 ( 3.113 0.000 -7.840) 8.435 16.881 ( -0.203 0.000 1.430) 1.445 16.991 ( -2.219 0.000 -2.361) 3.240 17.483 ( 6.975 0.000 11.814) 13.719 17.748 ( 2.047 0.000 -1.436) 2.500 20.226 ( -0.492 0.000 -0.188) 0.527 20.288 ( -4.386 0.000 -0.588) 4.425 20.533 ( 1.107 0.000 -1.868) 2.171 20.579 ( -4.814 0.000 1.624) 5.081 25.381 ( 1.530 0.000 -1.118) 1.895 25.396 ( -1.604 0.000 0.155) 1.611 25.491 ( 0.790 0.000 2.409) 2.535 25.543 ( 2.625 0.000 -1.592) 3.070 26.009 ( 1.226 0.000 -0.418) 1.295 26.115 ( -3.214 0.000 -3.476) 4.734 26.321 ( -1.090 0.000 3.790) 3.943 26.473 ( -4.592 0.000 -2.657) 5.306 27.173 ( 1.153 0.000 9.279) 9.350 27.315 ( 2.818 0.000 1.028) 3.000 27.573 ( 1.918 0.000 9.509) 9.700 27.582 ( 4.417 0.000 -0.908) 4.509 27.822 ( 0.728 0.000 2.923) 3.012 27.932 ( 0.242 0.000 0.253) 0.350 27.958 ( 1.819 0.000 -4.535) 4.887 28.129 ( -0.899 0.000 -4.703) 4.788 28.506 ( 4.679 0.000 -4.781) 6.689 28.552 ( 1.642 0.000 -2.159) 2.713 29.142 ( -3.546 0.000 -0.467) 3.577 29.149 ( -5.122 0.000 -0.697) 5.169 29.324 ( -4.284 0.000 13.551) 14.213 29.614 ( 5.961 0.000 -12.404) 13.762 29.820 ( 4.683 0.000 3.510) 5.853 29.891 ( 0.900 0.000 1.415) 1.677 31.118 ( -20.632 0.000 7.571) 21.977 31.169 ( 9.049 0.000 -14.694) 17.257 31.887 ( 5.524 0.000 5.199) 7.586 32.210 ( -11.611 0.000 -4.956) 12.625 ======================= Grid point 102 (49/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -17.032 0.000 -3.308) 17.351 1.895 ( -13.814 0.000 7.357) 15.651 1.974 ( -1.147 0.000 9.472) 9.541 2.249 ( 4.954 0.000 -6.496) 8.170 2.445 ( -1.936 0.000 -0.923) 2.144 2.512 ( 6.860 0.000 2.425) 7.276 2.715 ( -1.902 0.000 5.516) 5.835 2.789 ( -3.635 0.000 -0.590) 3.682 2.952 ( -8.941 0.000 5.258) 10.373 3.154 ( 2.989 0.000 -2.627) 3.980 3.289 ( -3.270 0.000 -3.823) 5.031 3.332 ( 1.711 0.000 2.178) 2.770 3.533 ( -11.780 0.000 3.093) 12.179 3.589 ( -8.621 0.000 -2.226) 8.904 3.660 ( 2.558 0.000 9.615) 9.949 3.701 ( 1.689 0.000 -4.796) 5.085 3.917 ( -5.632 0.000 16.323) 17.267 4.005 ( -3.228 0.000 6.400) 7.168 4.105 ( -10.797 0.000 8.476) 13.727 4.106 ( -1.076 0.000 -5.495) 5.600 4.327 ( 1.366 0.000 3.112) 3.398 4.453 ( -9.516 0.000 2.458) 9.829 4.472 ( -11.196 0.000 -5.514) 12.480 4.529 ( -0.078 0.000 -2.177) 2.179 4.704 ( 0.741 0.000 -1.214) 1.422 4.754 ( -4.516 0.000 -8.819) 9.908 4.794 ( 13.626 0.000 3.299) 14.020 4.942 ( 12.991 0.000 -2.605) 13.250 5.277 ( -9.745 0.000 9.628) 13.699 5.309 ( 0.391 0.000 0.591) 0.708 5.399 ( 0.182 0.000 -18.197) 18.197 5.647 ( -3.520 0.000 -7.309) 8.113 5.665 ( 7.107 0.000 4.864) 8.612 5.774 ( 13.680 0.000 -10.997) 17.552 6.068 ( -6.324 0.000 -4.893) 7.996 6.090 ( -7.399 0.000 -5.560) 9.255 6.125 ( -0.865 0.000 7.198) 7.250 6.230 ( -8.246 0.000 0.099) 8.247 6.288 ( -7.521 0.000 10.705) 13.083 6.296 ( 11.070 0.000 2.163) 11.279 6.561 ( -8.274 0.000 1.802) 8.468 6.729 ( 6.113 0.000 -0.170) 6.115 6.848 ( 6.126 0.000 -2.131) 6.486 6.881 ( 10.062 0.000 -3.114) 10.533 7.185 ( -11.358 0.000 6.239) 12.959 7.270 ( 4.862 0.000 0.874) 4.940 7.299 ( 9.640 0.000 12.685) 15.932 7.602 ( 7.985 0.000 -10.518) 13.205 7.732 ( -3.901 0.000 -6.981) 7.997 7.779 ( 10.509 0.000 1.005) 10.557 7.902 ( 3.556 0.000 -1.773) 3.973 7.912 ( -0.503 0.000 -6.165) 6.185 8.120 ( -2.235 0.000 -3.494) 4.148 8.173 ( 12.863 0.000 9.057) 15.732 8.398 ( 2.185 0.000 3.843) 4.421 8.413 ( -6.437 0.000 -7.853) 10.154 9.184 ( -3.805 0.000 6.494) 7.527 9.304 ( -2.336 0.000 -4.789) 5.328 9.326 ( -0.935 0.000 3.393) 3.519 9.462 ( 9.215 0.000 -4.706) 10.347 9.558 ( -2.772 0.000 2.730) 3.890 9.647 ( 1.818 0.000 -3.603) 4.036 10.041 ( -11.623 0.000 -2.329) 11.854 10.093 ( -4.009 0.000 4.664) 6.150 10.154 ( 6.804 0.000 4.336) 8.068 10.237 ( 4.378 0.000 -3.772) 5.779 10.478 ( 4.223 0.000 9.030) 9.969 10.578 ( 1.153 0.000 -6.458) 6.560 11.400 ( -3.118 0.000 6.581) 7.282 11.428 ( 4.011 0.000 7.419) 8.434 11.546 ( 3.099 0.000 0.667) 3.170 11.625 ( 0.098 0.000 -11.005) 11.006 11.778 ( -0.230 0.000 0.638) 0.678 11.794 ( -2.193 0.000 -4.852) 5.325 12.343 ( -2.656 0.000 5.712) 6.299 12.456 ( 3.138 0.000 -0.716) 3.218 12.757 ( -3.086 0.000 -3.201) 4.447 12.821 ( 3.960 0.000 -0.803) 4.041 13.054 ( -7.007 0.000 4.812) 8.500 13.240 ( 6.046 0.000 -4.096) 7.303 13.770 ( 1.614 0.000 3.556) 3.905 13.782 ( -3.327 0.000 -4.123) 5.298 14.157 ( -7.537 0.000 1.730) 7.733 14.254 ( 0.584 0.000 -1.050) 1.201 14.427 ( -5.385 0.000 8.068) 9.700 14.601 ( 0.115 0.000 -8.472) 8.473 15.002 ( 5.553 0.000 11.466) 12.740 15.040 ( -6.109 0.000 -10.737) 12.353 15.410 ( -2.376 0.000 3.424) 4.168 15.481 ( 1.107 0.000 -2.194) 2.457 15.509 ( -4.348 0.000 -1.442) 4.581 15.520 ( -1.296 0.000 2.501) 2.817 15.786 ( -3.112 0.000 0.515) 3.154 15.882 ( 3.608 0.000 -4.019) 5.401 16.144 ( 0.470 0.000 2.558) 2.601 16.226 ( -1.447 0.000 -8.485) 8.607 16.926 ( 3.175 0.000 3.289) 4.571 16.935 ( -1.192 0.000 -2.931) 3.164 17.669 ( 3.604 0.000 6.664) 7.576 17.678 ( -5.221 0.000 -6.221) 8.121 20.232 ( -0.434 0.000 -0.701) 0.825 20.272 ( 5.193 0.000 0.705) 5.240 20.523 ( -1.430 0.000 -0.832) 1.655 20.611 ( 7.422 0.000 -1.430) 7.559 25.365 ( -1.776 0.000 0.210) 1.789 25.407 ( 1.912 0.000 -0.781) 2.066 25.502 ( -1.523 0.000 2.067) 2.568 25.551 ( -0.059 0.000 -2.995) 2.995 26.028 ( -3.001 0.000 -2.002) 3.608 26.058 ( 3.371 0.000 1.503) 3.691 26.406 ( 6.465 0.000 3.212) 7.218 26.410 ( 0.773 0.000 -4.097) 4.170 27.248 ( -0.124 0.000 7.551) 7.552 27.319 ( -1.341 0.000 -3.619) 3.860 27.598 ( -2.868 0.000 0.190) 2.874 27.626 ( 0.715 0.000 1.114) 1.324 27.863 ( -1.552 0.000 5.573) 5.785 27.963 ( 1.210 0.000 -2.652) 2.915 27.975 ( 2.979 0.000 5.970) 6.672 28.010 ( -4.952 0.000 -10.613) 11.712 28.454 ( -10.533 0.000 -0.385) 10.540 28.527 ( -1.768 0.000 -0.154) 1.775 29.133 ( 3.618 0.000 0.183) 3.622 29.136 ( 3.067 0.000 0.622) 3.129 29.323 ( -6.167 0.000 13.539) 14.877 29.611 ( 3.739 0.000 -12.487) 13.035 29.871 ( -3.691 0.000 -0.634) 3.745 29.878 ( -1.066 0.000 2.574) 2.786 30.849 ( -15.595 0.000 13.083) 20.356 31.316 ( 15.723 0.000 -9.919) 18.590 32.026 ( -2.632 0.000 -7.402) 7.856 32.097 ( 12.760 0.000 5.481) 13.887 ======================= Grid point 103 (50/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -14.385 0.000 14.504) 20.428 1.687 ( -16.394 0.000 20.699) 26.405 1.993 ( -6.419 0.000 7.264) 9.693 2.245 ( -1.643 0.000 -1.070) 1.961 2.394 ( -2.980 0.000 -7.350) 7.931 2.639 ( 0.919 0.000 2.240) 2.422 2.668 ( -12.392 0.000 9.234) 15.454 2.716 ( -0.090 0.000 0.658) 0.664 2.818 ( -9.354 0.000 0.353) 9.360 3.095 ( -25.150 0.000 5.416) 25.727 3.105 ( -8.875 0.000 -0.754) 8.907 3.171 ( -13.794 0.000 -4.385) 14.475 3.257 ( -8.090 0.000 -3.121) 8.672 3.374 ( -11.396 0.000 -2.772) 11.729 3.658 ( -9.230 0.000 8.210) 12.353 3.737 ( 3.711 0.000 5.164) 6.359 3.835 ( -9.491 0.000 25.190) 26.918 4.044 ( 5.907 0.000 -6.228) 8.584 4.052 ( -5.186 0.000 -4.146) 6.639 4.200 ( 11.988 0.000 -2.296) 12.206 4.286 ( -5.154 0.000 2.765) 5.849 4.312 ( -1.123 0.000 5.111) 5.233 4.367 ( -0.698 0.000 -1.644) 1.786 4.507 ( -1.969 0.000 1.009) 2.213 4.633 ( 9.172 0.000 -3.439) 9.795 4.801 ( -6.834 0.000 -7.359) 10.043 4.913 ( 5.742 0.000 7.873) 9.744 5.094 ( 1.604 0.000 -0.923) 1.851 5.177 ( -8.492 0.000 6.082) 10.445 5.247 ( 2.446 0.000 -25.949) 26.064 5.370 ( 5.515 0.000 -1.870) 5.824 5.601 ( -2.765 0.000 4.245) 5.066 5.609 ( -18.611 0.000 -0.700) 18.624 5.692 ( -2.311 0.000 -15.828) 15.996 5.858 ( -5.377 0.000 -0.057) 5.377 5.922 ( 0.216 0.000 -0.478) 0.524 6.127 ( -10.363 0.000 1.266) 10.440 6.328 ( -3.655 0.000 -2.061) 4.196 6.337 ( 20.410 0.000 -2.622) 20.578 6.505 ( 6.362 0.000 5.054) 8.125 6.555 ( 10.990 0.000 3.784) 11.623 6.776 ( -5.376 0.000 2.785) 6.055 6.902 ( -2.467 0.000 -3.590) 4.356 6.918 ( 0.885 0.000 -4.286) 4.376 7.081 ( -2.102 0.000 1.357) 2.502 7.352 ( 6.561 0.000 -4.678) 8.058 7.457 ( -4.670 0.000 6.640) 8.118 7.653 ( -0.358 0.000 -5.528) 5.540 7.847 ( 0.768 0.000 -0.371) 0.852 7.876 ( 20.728 0.000 -0.031) 20.728 7.891 ( -0.553 0.000 -6.896) 6.918 7.950 ( 8.751 0.000 -9.151) 12.662 8.205 ( 12.061 0.000 2.346) 12.287 8.297 ( -1.386 0.000 -1.754) 2.235 8.408 ( -1.145 0.000 2.144) 2.431 8.616 ( 20.035 0.000 10.558) 22.647 9.164 ( 1.104 0.000 6.028) 6.128 9.264 ( 1.579 0.000 -2.501) 2.958 9.421 ( 5.150 0.000 7.221) 8.869 9.531 ( 1.569 0.000 -0.996) 1.858 9.577 ( 2.041 0.000 0.743) 2.172 9.655 ( 0.101 0.000 0.172) 0.199 9.827 ( -8.699 0.000 -0.700) 8.727 10.124 ( 3.784 0.000 8.611) 9.406 10.177 ( -3.232 0.000 -4.105) 5.225 10.347 ( 7.604 0.000 0.752) 7.642 10.554 ( 2.261 0.000 -7.159) 7.507 10.660 ( 7.569 0.000 8.112) 11.095 11.393 ( 0.472 0.000 0.548) 0.724 11.515 ( 0.223 0.000 -10.759) 10.761 11.534 ( -4.304 0.000 -1.565) 4.580 11.595 ( 7.099 0.000 2.839) 7.645 11.824 ( 1.481 0.000 7.314) 7.463 11.830 ( 4.842 0.000 5.937) 7.661 12.328 ( -3.028 0.000 3.196) 4.403 12.520 ( 5.511 0.000 -3.865) 6.731 12.698 ( -0.603 0.000 -2.133) 2.217 12.879 ( 1.654 0.000 2.078) 2.656 12.951 ( -6.025 0.000 1.518) 6.214 13.276 ( 1.637 0.000 -6.005) 6.224 13.659 ( -5.926 0.000 -4.678) 7.550 13.754 ( -4.421 0.000 -1.662) 4.723 14.000 ( -11.312 0.000 3.502) 11.842 14.221 ( -4.867 0.000 -2.926) 5.679 14.362 ( -6.485 0.000 6.387) 9.102 14.469 ( -5.831 0.000 -10.348) 11.877 14.812 ( -9.279 0.000 -9.861) 13.540 15.093 ( -6.996 0.000 10.000) 12.204 15.392 ( -1.771 0.000 2.911) 3.408 15.424 ( -4.395 0.000 -1.886) 4.782 15.481 ( 0.419 0.000 2.334) 2.372 15.521 ( 0.896 0.000 1.063) 1.390 15.759 ( -1.267 0.000 2.532) 2.831 15.927 ( 3.419 0.000 -2.226) 4.080 16.114 ( -3.965 0.000 -4.030) 5.654 16.195 ( 3.582 0.000 2.173) 4.190 16.906 ( -0.280 0.000 -2.133) 2.152 17.007 ( 2.398 0.000 1.176) 2.671 17.526 ( -4.153 0.000 -8.507) 9.466 17.634 ( -10.462 0.000 -1.641) 10.590 20.260 ( 3.076 0.000 0.497) 3.116 20.389 ( 5.619 0.000 -1.438) 5.801 20.548 ( 5.315 0.000 2.433) 5.846 20.757 ( 9.700 0.000 -3.182) 10.208 25.342 ( -1.082 0.000 1.029) 1.493 25.434 ( 1.417 0.000 -0.659) 1.563 25.470 ( -2.768 0.000 0.906) 2.913 25.504 ( -2.025 0.000 -3.441) 3.993 25.990 ( -0.494 0.000 0.492) 0.697 26.132 ( 2.776 0.000 1.512) 3.161 26.450 ( 6.606 0.000 -3.122) 7.306 26.583 ( 10.370 0.000 1.456) 10.472 27.229 ( -4.083 0.000 -5.204) 6.614 27.262 ( -2.750 0.000 1.129) 2.973 27.469 ( -9.278 0.000 -4.153) 10.165 27.603 ( -4.813 0.000 -4.284) 6.444 27.830 ( -4.217 0.000 -4.249) 5.986 27.851 ( -2.904 0.000 3.688) 4.694 27.970 ( 0.903 0.000 -3.359) 3.478 28.076 ( 0.857 0.000 5.300) 5.369 28.283 ( -7.526 0.000 9.608) 12.204 28.469 ( -3.334 0.000 0.528) 3.376 29.181 ( -4.040 0.000 8.009) 8.970 29.227 ( 5.170 0.000 -0.337) 5.181 29.341 ( 0.572 0.000 7.777) 7.798 29.575 ( 2.696 0.000 -12.713) 12.996 29.740 ( -8.322 0.000 -3.277) 8.944 29.826 ( -5.636 0.000 1.202) 5.762 30.779 ( -5.198 0.000 21.403) 22.025 31.526 ( 11.346 0.000 -7.409) 13.551 32.040 ( 11.165 0.000 -7.435) 13.414 32.423 ( 17.466 0.000 5.211) 18.227 ======================= Grid point 104 (51/72) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -22.510 0.000 25.967) 34.365 1.641 ( -6.913 0.000 24.756) 25.703 1.839 ( -12.002 0.000 1.900) 12.152 2.130 ( -8.402 0.000 -9.452) 12.647 2.289 ( -1.119 0.000 4.250) 4.395 2.428 ( -19.808 0.000 31.546) 37.249 2.435 ( -18.942 0.000 -8.595) 20.801 2.646 ( -2.621 0.000 -9.477) 9.833 2.686 ( -0.767 0.000 2.518) 2.632 2.847 ( -5.997 0.000 3.406) 6.897 2.851 ( -14.322 0.000 -4.332) 14.963 3.027 ( -0.934 0.000 1.399) 1.682 3.176 ( 0.081 0.000 -5.348) 5.349 3.241 ( -2.529 0.000 -1.819) 3.115 3.578 ( -6.764 0.000 16.440) 17.777 3.830 ( -9.014 0.000 16.273) 18.603 3.867 ( 2.238 0.000 13.395) 13.581 4.022 ( 6.294 0.000 -4.185) 7.558 4.024 ( -3.036 0.000 -5.934) 6.666 4.277 ( -3.929 0.000 3.554) 5.298 4.351 ( 10.564 0.000 -4.272) 11.395 4.381 ( 1.828 0.000 -3.059) 3.563 4.471 ( 4.639 0.000 7.823) 9.095 4.509 ( 3.893 0.000 5.185) 6.484 4.620 ( 0.093 0.000 -13.677) 13.677 4.731 ( -3.155 0.000 3.985) 5.082 4.973 ( -6.928 0.000 -4.213) 8.108 5.052 ( 0.729 0.000 -26.518) 26.528 5.116 ( 1.422 0.000 10.479) 10.575 5.127 ( 4.404 0.000 -6.141) 7.557 5.262 ( -12.648 0.000 2.365) 12.867 5.411 ( -14.410 0.000 3.375) 14.800 5.462 ( 2.801 0.000 -2.531) 3.775 5.653 ( 0.345 0.000 -3.267) 3.286 5.837 ( 5.705 0.000 -4.382) 7.194 5.951 ( -5.917 0.000 -4.730) 7.576 6.049 ( 7.947 0.000 -3.782) 8.801 6.218 ( -2.907 0.000 -10.013) 10.426 6.531 ( -0.991 0.000 2.445) 2.638 6.604 ( -0.035 0.000 6.115) 6.115 6.657 ( -3.458 0.000 1.651) 3.832 6.735 ( 4.759 0.000 -5.618) 7.363 6.893 ( 5.416 0.000 2.978) 6.181 6.942 ( 4.899 0.000 -2.221) 5.379 7.040 ( -2.628 0.000 -1.770) 3.169 7.356 ( -6.041 0.000 -8.063) 10.075 7.384 ( -8.127 0.000 9.340) 12.381 7.540 ( 0.050 0.000 -0.642) 0.644 7.830 ( -0.400 0.000 -6.168) 6.181 7.931 ( 0.030 0.000 6.054) 6.054 7.980 ( 8.044 0.000 -16.231) 18.115 8.133 ( 5.534 0.000 0.029) 5.534 8.313 ( 3.144 0.000 3.834) 4.958 8.373 ( -4.529 0.000 6.164) 7.649 8.555 ( 18.440 0.000 0.292) 18.443 8.905 ( 7.908 0.000 -3.147) 8.511 9.249 ( -0.168 0.000 2.714) 2.719 9.343 ( 5.992 0.000 0.693) 6.032 9.566 ( 2.017 0.000 2.042) 2.870 9.600 ( 0.967 0.000 2.729) 2.895 9.604 ( 4.556 0.000 3.179) 5.556 9.653 ( 1.095 0.000 0.184) 1.111 9.793 ( 2.830 0.000 8.254) 8.725 10.049 ( -3.751 0.000 -10.083) 10.758 10.378 ( 10.493 0.000 7.450) 12.869 10.462 ( 3.912 0.000 -0.467) 3.940 10.639 ( 16.746 0.000 -0.440) 16.752 10.848 ( 5.404 0.000 9.331) 10.783 11.378 ( -4.431 0.000 -2.447) 5.062 11.447 ( 2.258 0.000 -11.545) 11.764 11.499 ( 4.126 0.000 3.675) 5.525 11.747 ( 6.991 0.000 -0.398) 7.002 11.949 ( 7.309 0.000 6.451) 9.749 11.957 ( 2.102 0.000 6.624) 6.949 12.274 ( -2.966 0.000 -2.205) 3.696 12.538 ( -3.021 0.000 -10.910) 11.320 12.725 ( 5.693 0.000 -2.394) 6.176 12.816 ( -9.515 0.000 7.049) 11.841 12.977 ( 6.169 0.000 0.565) 6.195 13.224 ( -0.446 0.000 -4.575) 4.597 13.516 ( -5.858 0.000 -3.660) 6.907 13.631 ( -4.891 0.000 -3.603) 6.075 13.807 ( -12.201 0.000 3.506) 12.695 13.851 ( -26.441 0.000 -14.240) 30.032 14.304 ( -4.045 0.000 4.547) 6.086 14.346 ( -1.683 0.000 -3.763) 4.122 14.647 ( -2.449 0.000 -1.252) 2.751 14.885 ( -17.544 0.000 5.004) 18.244 15.377 ( -2.120 0.000 2.287) 3.118 15.386 ( 1.049 0.000 -2.022) 2.278 15.504 ( -0.972 0.000 2.230) 2.432 15.543 ( 0.578 0.000 0.110) 0.588 15.763 ( -0.818 0.000 3.437) 3.533 15.939 ( 0.596 0.000 -5.775) 5.806 16.113 ( 3.563 0.000 6.895) 7.761 16.286 ( 3.803 0.000 1.315) 4.024 16.892 ( 0.573 0.000 -1.719) 1.812 16.975 ( -7.099 0.000 -0.500) 7.117 17.361 ( -13.110 0.000 2.457) 13.338 17.424 ( -0.309 0.000 -8.006) 8.011 20.330 ( 3.085 0.000 1.754) 3.548 20.441 ( 2.694 0.000 -2.952) 3.997 20.728 ( 7.928 0.000 5.764) 9.801 20.898 ( 7.948 0.000 -4.323) 9.048 25.344 ( 0.015 0.000 1.835) 1.835 25.422 ( -2.415 0.000 0.761) 2.532 25.451 ( 0.802 0.000 -1.473) 1.677 25.453 ( -0.829 0.000 -1.612) 1.812 26.011 ( 1.198 0.000 2.768) 3.017 26.168 ( 0.761 0.000 -0.951) 1.218 26.601 ( 10.476 0.000 0.755) 10.504 26.784 ( 10.438 0.000 -0.934) 10.480 27.102 ( -11.648 0.000 -5.599) 12.924 27.135 ( -1.513 0.000 -2.855) 3.231 27.295 ( -7.612 0.000 2.232) 7.932 27.351 ( -13.606 0.000 -10.982) 17.485 27.829 ( -2.283 0.000 4.613) 5.147 27.848 ( 4.173 0.000 3.262) 5.296 27.952 ( 0.134 0.000 -3.573) 3.575 28.068 ( -2.787 0.000 1.485) 3.158 28.314 ( -1.010 0.000 9.793) 9.845 28.432 ( -0.593 0.000 -0.935) 1.107 29.124 ( -9.441 0.000 13.226) 16.251 29.295 ( 4.453 0.000 -4.261) 6.163 29.416 ( 2.000 0.000 3.130) 3.714 29.517 ( 1.123 0.000 -11.721) 11.774 29.599 ( -3.390 0.000 -0.405) 3.415 29.711 ( -6.492 0.000 -0.385) 6.503 30.953 ( 4.964 0.000 22.241) 22.788 31.585 ( 2.990 0.000 -10.276) 10.702 32.297 ( 17.918 0.000 -2.303) 18.065 32.717 ( 9.112 0.000 -2.064) 9.343 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -6.139 12.659 21.631) 25.804 1.718 ( 0.950 -4.883 23.759) 24.274 1.832 ( 10.738 9.054 -16.093) 21.361 1.987 ( 4.144 -4.417 -5.570) 8.228 2.133 ( -6.199 3.038 0.577) 6.927 2.345 ( -1.544 -3.832 -12.425) 13.094 2.498 ( 5.463 0.815 4.215) 6.948 2.579 ( -6.516 -3.291 1.009) 7.369 2.719 ( 2.416 1.403 5.802) 6.440 2.756 ( 2.032 11.464 22.556) 25.384 2.869 ( -2.728 3.801 -4.470) 6.471 3.043 ( 1.005 0.485 -1.970) 2.264 3.167 ( 1.051 1.132 -0.857) 1.767 3.214 ( -1.822 1.211 -4.813) 5.287 3.587 ( 0.684 -6.056 15.201) 16.377 3.795 ( -1.215 -4.578 2.570) 5.389 3.880 ( -4.356 1.801 10.644) 11.641 3.973 ( -8.543 1.436 -0.274) 8.667 4.075 ( 3.657 -2.968 -0.286) 4.719 4.230 ( 0.919 -0.240 5.966) 6.041 4.299 ( -2.072 -3.398 -7.264) 8.283 4.416 ( -2.309 -3.084 2.741) 4.728 4.522 ( 3.459 -4.105 1.432) 5.556 4.548 ( 4.815 0.165 -9.572) 10.716 4.624 ( 0.609 1.574 -0.497) 1.760 4.753 ( -5.209 4.577 0.653) 6.965 4.843 ( -8.255 4.378 -6.198) 11.213 4.961 ( 9.145 5.180 -7.488) 12.905 5.117 ( -1.924 4.337 5.748) 7.453 5.235 ( -4.385 4.799 4.831) 8.100 5.301 ( -2.485 5.535 6.234) 8.699 5.406 ( -1.938 1.652 8.063) 8.456 5.586 ( 7.909 8.861 -8.947) 14.870 5.626 ( 2.577 1.373 -9.403) 9.846 5.902 ( 1.131 2.078 -0.442) 2.407 5.964 ( 0.013 -1.553 -3.213) 3.569 5.995 ( 3.926 -0.955 -6.592) 7.732 6.090 ( -3.039 3.925 -11.908) 12.901 6.544 ( 3.119 -2.760 6.069) 7.361 6.606 ( -3.408 -0.187 3.243) 4.708 6.641 ( -1.975 -0.940 0.193) 2.196 6.760 ( 5.261 2.142 -6.430) 8.580 6.941 ( -4.951 2.261 1.413) 5.623 7.030 ( -0.629 3.505 -3.091) 4.715 7.120 ( 4.166 2.559 4.152) 6.414 7.205 ( 0.253 2.146 1.334) 2.540 7.366 ( -6.500 3.004 9.113) 11.589 7.591 ( 1.961 0.069 -3.646) 4.140 7.808 ( -0.137 2.083 -4.259) 4.743 7.856 ( -0.896 -0.901 -7.442) 7.550 7.991 ( 1.836 -6.935 2.798) 7.700 8.024 ( -0.523 -7.545 -0.462) 7.577 8.380 ( -0.535 -1.448 2.738) 3.144 8.401 ( 2.431 1.299 1.159) 2.990 8.747 ( 4.924 -4.052 2.322) 6.786 8.823 ( -4.748 -4.887 -4.405) 8.114 9.232 ( 4.102 -4.100 4.884) 7.582 9.354 ( -6.841 0.171 -5.836) 8.994 9.516 ( 0.749 -8.818 10.146) 13.463 9.572 ( 2.694 -3.019 5.518) 6.843 9.646 ( 1.534 -4.435 1.845) 5.042 9.788 ( -8.341 -4.141 1.528) 9.437 9.830 ( 4.864 4.174 -6.494) 9.124 9.945 ( 2.911 -0.921 -10.405) 10.844 10.400 ( -0.642 -2.106 6.364) 6.734 10.545 ( -0.922 3.529 -5.210) 6.360 10.856 ( 2.957 -8.372 5.854) 10.635 10.920 ( 1.494 -7.792 -1.460) 8.067 11.277 ( -3.240 1.229 2.439) 4.238 11.443 ( 2.684 -1.031 -7.946) 8.451 11.512 ( 0.984 -7.027 5.780) 9.152 11.671 ( -2.028 -11.707 -6.928) 13.754 11.867 ( -0.891 -0.314 6.317) 6.387 12.040 ( 0.325 -3.369 -9.185) 9.789 12.313 ( -1.248 6.686 -0.601) 6.828 12.367 ( 1.110 5.082 -4.982) 7.202 12.692 ( -7.872 0.049 8.879) 11.866 12.834 ( 3.866 -0.128 -3.068) 4.937 13.078 ( 5.436 -4.064 3.502) 7.638 13.168 ( -6.217 -5.791 -4.781) 9.749 13.390 ( 1.433 2.088 1.716) 3.059 13.444 ( -1.484 1.620 -3.206) 3.887 13.625 ( -2.585 -0.315 1.821) 3.178 13.664 ( 3.258 0.328 -1.773) 3.723 14.276 ( -0.086 -1.311 1.425) 1.938 14.300 ( 0.010 0.237 -1.248) 1.270 14.614 ( -4.074 -4.552 0.323) 6.117 14.630 ( 6.206 -5.406 -1.064) 8.299 15.402 ( -1.468 3.603 2.585) 4.671 15.428 ( 0.800 2.314 0.402) 2.481 15.537 ( -2.026 3.363 2.388) 4.595 15.589 ( 2.202 3.144 -2.159) 4.404 15.928 ( -0.564 7.518 -0.905) 7.593 15.947 ( 1.742 5.549 -2.821) 6.464 16.251 ( 0.380 1.106 6.185) 6.295 16.341 ( 1.165 0.952 -1.765) 2.319 16.902 ( 1.168 4.056 5.088) 6.611 16.998 ( -0.444 5.519 -3.620) 6.615 17.269 ( -4.560 2.022 4.879) 6.977 17.389 ( 2.957 0.161 -6.008) 6.699 20.439 ( 0.579 4.711 0.547) 4.777 20.474 ( -0.397 2.898 -2.415) 3.793 20.820 ( -1.061 -1.860 4.765) 5.224 20.917 ( 0.905 -3.317 -4.098) 5.349 25.358 ( 0.710 -0.082 1.920) 2.049 25.399 ( -0.748 -0.047 -1.623) 1.787 25.447 ( 0.110 0.538 0.254) 0.605 25.464 ( 0.622 0.602 -1.125) 1.420 26.178 ( 0.251 4.013 0.688) 4.079 26.219 ( -1.291 10.892 -3.876) 11.633 26.806 ( 8.527 -0.660 7.045) 11.081 26.904 ( -3.736 0.081 0.292) 3.748 26.911 ( 0.335 -0.272 0.312) 0.532 27.016 ( -9.347 0.411 -11.085) 14.505 27.213 ( -5.242 4.119 0.524) 6.687 27.239 ( 3.727 4.703 -1.596) 6.210 27.835 ( -0.325 -0.360 3.576) 3.609 27.920 ( 0.551 -1.227 -4.024) 4.242 27.974 ( 3.523 -0.545 1.884) 4.032 27.996 ( -1.501 -0.299 -0.496) 1.608 28.399 ( 2.416 5.311 6.668) 8.861 28.510 ( 0.029 6.834 -3.573) 7.711 29.025 ( -7.270 -2.914 12.937) 15.123 29.270 ( 6.146 -5.979 -8.328) 11.953 29.471 ( 0.122 2.347 2.013) 3.094 29.538 ( 1.773 2.104 -2.800) 3.925 29.587 ( 1.933 0.054 -1.111) 2.230 29.615 ( -1.853 -0.059 -1.007) 2.110 31.167 ( 5.929 -3.796 14.216) 15.863 31.459 ( -1.028 -4.919 -12.885) 13.830 32.353 ( -8.120 -16.569 9.246) 20.639 32.492 ( 3.011 -11.981 -4.435) 13.126 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 15.170 5.206 5.775) 17.046 1.936 ( 9.025 -1.960 8.838) 12.782 2.008 ( 6.537 -2.707 -3.334) 7.822 2.163 ( 24.829 -0.744 -13.996) 28.512 2.178 ( 5.690 3.374 3.751) 7.605 2.345 ( 9.119 -0.043 -0.870) 9.160 2.494 ( 1.733 3.325 -3.524) 5.145 2.625 ( 2.486 -3.081 6.660) 7.748 2.824 ( 5.059 0.226 -5.718) 7.638 2.897 ( 11.582 5.179 5.668) 13.896 2.989 ( 4.931 4.870 8.008) 10.591 3.048 ( 6.366 4.289 -7.744) 10.904 3.144 ( 0.197 -1.589 -2.347) 2.841 3.221 ( 3.616 2.155 0.462) 4.235 3.653 ( -4.625 -7.194 9.047) 12.449 3.788 ( -3.643 -1.494 7.876) 8.805 3.826 ( -0.617 -1.074 -2.258) 2.575 3.986 ( -1.168 5.014 20.722) 21.352 4.160 ( 1.141 1.321 -2.252) 2.849 4.231 ( 3.170 -3.597 -5.159) 7.043 4.286 ( -5.294 -1.832 6.357) 8.473 4.381 ( 1.908 -0.885 2.259) 3.087 4.431 ( 1.851 -1.905 -13.743) 13.998 4.535 ( -4.714 -2.146 1.099) 5.295 4.646 ( 1.422 1.197 -8.142) 8.352 4.717 ( -1.331 4.333 3.489) 5.720 4.784 ( 3.277 -1.130 6.160) 7.068 4.972 ( -7.468 11.813 0.133) 13.976 5.062 ( -9.039 6.516 9.063) 14.363 5.289 ( 7.895 2.767 3.432) 9.042 5.343 ( 7.156 0.682 -3.442) 7.970 5.445 ( 0.051 2.426 0.422) 2.463 5.581 ( 0.933 -3.127 -9.330) 9.884 5.730 ( 8.287 3.162 -6.965) 11.278 5.826 ( 2.866 1.163 0.028) 3.093 5.897 ( -3.887 3.227 -3.987) 6.436 6.033 ( 2.106 3.227 -1.837) 4.268 6.122 ( 5.414 5.069 1.021) 7.486 6.580 ( -5.308 -2.908 -3.640) 7.063 6.618 ( 2.261 -1.969 3.235) 4.410 6.679 ( 5.805 -1.932 3.453) 7.025 6.718 ( -2.822 1.049 -4.126) 5.108 6.869 ( -1.895 5.760 3.035) 6.781 6.966 ( -6.998 2.852 -1.207) 7.652 7.153 ( 4.265 1.597 -6.508) 7.943 7.273 ( -0.205 3.133 0.562) 3.190 7.381 ( -2.546 -1.497 17.135) 17.388 7.589 ( 1.239 -1.596 -3.539) 4.075 7.759 ( -2.432 3.310 -1.382) 4.333 7.780 ( -2.865 -0.785 -3.145) 4.326 7.968 ( -0.581 -6.634 -1.240) 6.773 8.045 ( -1.740 -3.287 0.672) 3.779 8.314 ( -4.087 -1.131 -0.795) 4.314 8.473 ( -0.707 -1.100 -2.688) 2.989 8.579 ( -12.822 -2.956 -2.988) 13.493 8.796 ( -2.567 -4.214 3.070) 5.811 9.209 ( -5.324 -4.839 -2.616) 7.655 9.334 ( 0.657 1.060 5.388) 5.531 9.490 ( -10.112 -12.789 -2.660) 16.519 9.565 ( -4.256 -0.603 0.699) 4.355 9.604 ( -4.684 -0.782 3.875) 6.129 9.731 ( 6.959 -3.109 -1.056) 7.694 9.852 ( 0.691 0.088 -2.579) 2.671 10.005 ( 6.359 -0.458 -3.932) 7.491 10.401 ( -4.722 1.757 6.219) 8.004 10.455 ( -4.412 0.173 -2.837) 5.249 10.691 ( -15.797 -2.445 -5.345) 16.855 10.840 ( -9.872 -10.008 2.396) 14.260 11.269 ( -1.347 2.178 5.302) 5.888 11.377 ( -6.595 -2.073 1.267) 7.028 11.486 ( 4.531 -3.792 -7.786) 9.774 11.653 ( -2.460 -1.571 2.498) 3.842 11.939 ( 0.980 -3.418 3.230) 4.804 12.032 ( 6.571 -9.994 -4.365) 12.732 12.198 ( -3.082 6.571 -3.045) 7.871 12.483 ( 2.815 -0.945 0.717) 3.055 12.629 ( -4.695 2.188 5.617) 7.641 12.844 ( -1.677 -1.492 2.753) 3.552 13.062 ( 1.346 -2.327 -8.743) 9.147 13.097 ( -3.439 -3.254 4.006) 6.201 13.520 ( 8.286 4.608 2.645) 9.843 13.582 ( 4.554 0.572 0.898) 4.677 13.637 ( 17.261 -0.397 0.259) 17.267 13.878 ( 13.069 -1.248 -1.027) 13.168 14.273 ( 0.385 0.704 1.669) 1.851 14.376 ( 7.061 -1.410 -2.087) 7.497 14.570 ( 0.782 -4.354 -0.582) 4.462 14.857 ( 16.790 -10.850 -2.606) 20.160 15.388 ( -1.369 3.266 2.151) 4.143 15.438 ( 0.321 2.440 -0.393) 2.492 15.521 ( -1.959 1.996 2.587) 3.810 15.606 ( 1.339 3.475 -2.852) 4.691 15.915 ( 0.635 5.586 -0.563) 5.650 16.006 ( 4.651 10.235 -1.581) 11.353 16.200 ( -4.564 -1.440 -0.216) 4.790 16.377 ( 1.319 3.315 -2.525) 4.371 16.901 ( -1.465 2.949 -1.014) 3.446 17.025 ( 2.043 2.524 0.087) 3.249 17.258 ( -0.628 2.233 6.544) 6.943 17.461 ( 9.124 1.680 -3.798) 10.024 20.398 ( -4.543 2.564 -1.022) 5.315 20.442 ( -2.045 4.311 0.349) 4.784 20.764 ( -7.969 -2.489 4.570) 9.518 20.825 ( -6.968 -2.248 -4.418) 8.551 25.376 ( -0.335 -0.528 -1.905) 2.005 25.385 ( 0.372 -0.927 1.789) 2.048 25.445 ( -0.288 0.807 0.176) 0.875 25.468 ( 1.107 0.348 -1.300) 1.743 26.156 ( -2.340 6.349 -0.539) 6.788 26.211 ( 1.253 7.687 1.441) 7.921 26.648 ( -13.969 -0.513 -4.980) 14.839 26.779 ( -6.759 2.286 2.336) 7.508 27.052 ( 7.907 0.090 0.351) 7.915 27.107 ( 4.937 0.367 7.640) 9.104 27.129 ( 2.462 2.408 2.767) 4.418 27.363 ( 7.863 2.524 -0.086) 8.258 27.845 ( -1.614 -1.419 1.716) 2.750 27.900 ( 0.766 -0.773 -1.385) 1.762 27.958 ( 1.944 1.451 -3.311) 4.105 28.092 ( 4.558 -0.144 -0.619) 4.603 28.471 ( 2.298 6.475 -1.257) 6.984 28.528 ( 4.456 5.307 -2.343) 7.315 29.021 ( -1.701 -3.845 11.720) 12.451 29.307 ( 1.756 -2.758 -4.495) 5.558 29.433 ( -3.576 3.660 0.699) 5.165 29.547 ( 2.618 0.376 -6.458) 6.978 29.613 ( 2.366 -0.123 -0.318) 2.391 29.685 ( 7.294 -0.814 -0.230) 7.343 31.315 ( -2.754 -4.000 -13.861) 14.687 31.339 ( 3.598 -5.861 5.872) 9.043 32.070 ( -24.024 -10.728 10.057) 28.167 32.502 ( -3.826 -13.007 -0.739) 13.578 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.17 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.406 -5.377 -10.125) 12.281 2.085 ( 4.122 -0.614 -1.502) 4.430 2.197 ( 6.889 -1.377 5.635) 9.006 2.248 ( 1.714 4.217 -1.966) 4.959 2.380 ( 6.024 4.001 -7.116) 10.146 2.467 ( 5.821 -1.720 0.947) 6.144 2.648 ( 1.984 -2.384 2.769) 4.158 2.739 ( 11.018 6.132 2.314) 12.820 2.962 ( 7.635 3.142 -1.746) 8.438 3.119 ( 4.580 0.571 3.055) 5.535 3.140 ( 12.839 2.268 1.119) 13.086 3.173 ( 9.473 2.712 -1.340) 9.944 3.301 ( 16.984 1.241 -2.672) 17.238 3.338 ( 11.858 1.114 1.449) 11.998 3.615 ( -5.259 -6.284 4.080) 9.154 3.754 ( -3.534 4.346 9.515) 11.041 3.914 ( 6.615 -2.635 -1.311) 7.240 3.964 ( -6.671 4.447 0.061) 8.017 4.122 ( -3.581 2.269 12.450) 13.152 4.202 ( -2.483 1.124 0.199) 2.733 4.335 ( 4.716 -3.164 -11.449) 12.780 4.369 ( 5.068 -4.112 -5.965) 8.842 4.438 ( -3.909 1.825 -0.488) 4.342 4.577 ( -1.374 4.220 13.115) 13.846 4.660 ( 1.074 2.585 2.684) 3.878 4.716 ( 5.635 -0.319 -0.287) 5.651 4.816 ( -1.887 8.849 1.046) 9.108 4.901 ( -1.451 -0.419 2.217) 2.683 5.027 ( 2.181 0.928 9.486) 9.778 5.338 ( -8.351 -2.405 1.609) 8.838 5.391 ( 8.569 -5.044 -8.281) 12.940 5.519 ( 5.769 0.412 -7.453) 9.434 5.634 ( 8.411 4.199 0.929) 9.446 5.780 ( 6.405 2.335 -5.893) 9.011 5.854 ( 0.328 3.270 1.299) 3.534 5.941 ( 2.291 2.124 -2.275) 3.865 6.064 ( 7.246 -0.592 1.229) 7.373 6.239 ( -5.032 2.686 6.125) 8.369 6.402 ( 0.467 5.299 0.735) 5.370 6.634 ( -1.289 -6.005 3.833) 7.240 6.660 ( -7.631 2.887 -4.414) 9.276 6.730 ( -13.371 2.482 -4.665) 14.378 6.811 ( 5.256 -0.210 2.558) 5.850 6.987 ( 12.307 0.412 -0.981) 12.353 7.130 ( -2.377 2.181 -9.057) 9.614 7.205 ( -8.754 -1.796 4.893) 10.188 7.413 ( -7.381 -2.652 13.716) 15.801 7.591 ( -0.681 -1.228 1.508) 2.060 7.704 ( -6.168 -1.189 1.214) 6.397 7.734 ( 1.103 1.699 -0.748) 2.159 7.923 ( -6.044 0.243 -1.909) 6.343 7.976 ( 0.440 -3.568 -4.878) 6.060 8.200 ( -10.919 -3.340 -1.001) 11.462 8.245 ( -5.188 -6.650 -5.900) 10.293 8.487 ( -4.296 3.111 -0.470) 5.325 8.765 ( -2.278 -1.505 -0.655) 2.808 9.089 ( -5.672 -7.801 -0.229) 9.648 9.250 ( -9.557 -8.606 -2.129) 13.036 9.330 ( 0.551 -0.984 -2.696) 2.922 9.534 ( -3.989 0.261 5.609) 6.888 9.652 ( 5.527 2.111 1.255) 6.048 9.778 ( -0.939 3.842 -4.973) 6.355 9.879 ( 4.623 -0.828 1.265) 4.864 10.079 ( 3.206 -2.728 -1.057) 4.340 10.292 ( -7.914 -1.303 -4.336) 9.117 10.367 ( -6.921 0.637 1.979) 7.226 10.403 ( -7.215 0.714 0.566) 7.272 10.679 ( -8.473 -4.548 2.592) 9.960 11.270 ( -2.439 -2.989 2.967) 4.866 11.323 ( -1.351 0.025 4.106) 4.323 11.510 ( 1.349 -3.593 -3.171) 4.978 11.645 ( 1.830 2.037 -1.227) 3.001 11.888 ( -2.201 -3.239 -7.007) 8.027 12.101 ( -3.033 1.291 -3.975) 5.164 12.181 ( 5.267 -5.809 2.229) 8.152 12.481 ( -4.090 -0.631 1.426) 4.377 12.607 ( 0.132 -2.144 4.929) 5.376 12.843 ( -0.333 -3.859 -0.613) 3.922 13.036 ( 2.198 -1.131 -4.957) 5.539 13.096 ( -1.284 -3.740 4.851) 6.259 13.628 ( 4.026 4.380 2.081) 6.302 13.746 ( 7.886 3.498 2.552) 8.997 14.033 ( 18.574 0.321 4.264) 19.060 14.071 ( 9.733 -2.549 0.323) 10.066 14.309 ( 0.512 1.461 3.604) 3.923 14.490 ( 8.283 -2.311 -6.033) 10.504 14.631 ( 5.192 -3.898 2.087) 6.820 15.112 ( 10.537 -12.618 -3.637) 16.836 15.403 ( 0.769 0.837 1.955) 2.261 15.429 ( -0.817 0.753 -0.674) 1.300 15.501 ( -0.666 1.591 0.973) 1.980 15.588 ( -0.746 1.917 -3.200) 3.804 15.931 ( 1.051 6.897 -0.492) 6.994 16.024 ( -3.954 8.793 1.798) 9.807 16.184 ( 6.450 4.472 -5.643) 9.667 16.329 ( -2.642 3.373 -5.452) 6.934 16.875 ( -0.500 -0.202 -1.178) 1.296 17.014 ( -3.000 -1.551 1.199) 3.583 17.356 ( 5.121 4.746 7.763) 10.441 17.652 ( 11.748 2.369 -0.941) 12.021 20.290 ( -5.424 1.217 -1.178) 5.682 20.392 ( -4.552 3.076 1.320) 5.651 20.615 ( -8.034 -2.369 -1.874) 8.583 20.663 ( -7.376 -1.011 0.818) 7.490 25.360 ( 0.164 -1.208 -1.694) 2.087 25.389 ( -1.030 -2.177 1.049) 2.627 25.447 ( 0.322 0.043 0.478) 0.578 25.493 ( 2.207 -0.258 -0.843) 2.376 26.112 ( -2.050 6.477 0.224) 6.798 26.252 ( 1.296 9.878 0.717) 9.988 26.397 ( -9.061 -1.397 -2.231) 9.435 26.667 ( -6.611 4.455 0.355) 7.980 27.128 ( 0.333 3.850 7.013) 8.007 27.213 ( 6.877 0.548 3.674) 7.817 27.347 ( 7.015 -3.026 9.416) 12.125 27.505 ( 6.897 0.858 0.701) 6.985 27.828 ( 0.142 0.644 -0.165) 0.679 27.919 ( 0.858 -0.302 0.257) 0.945 27.979 ( 3.013 2.026 -5.032) 6.205 28.138 ( 1.871 0.811 -1.394) 2.470 28.504 ( 4.634 3.547 -6.720) 8.900 28.581 ( 3.485 7.446 -1.992) 8.459 29.119 ( 1.779 -5.079 8.171) 9.784 29.259 ( -4.342 -0.193 -0.925) 4.444 29.369 ( -4.734 4.571 3.202) 7.318 29.558 ( 4.705 -1.728 -8.860) 10.180 29.682 ( 5.030 -1.491 0.577) 5.278 29.807 ( 5.333 -1.618 0.108) 5.574 31.169 ( -0.258 -3.184 -14.753) 15.095 31.353 ( -8.216 -4.966 1.989) 9.804 31.769 ( -12.763 -7.592 11.096) 18.538 32.336 ( -11.445 -12.618 -3.092) 17.313 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.17 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 7.636 -0.382 -1.891) 7.876 2.072 ( -4.349 -2.928 -1.381) 5.421 2.192 ( -8.794 3.643 3.586) 10.171 2.248 ( 3.282 5.080 -8.058) 10.076 2.454 ( 5.821 1.179 -2.714) 6.530 2.508 ( -2.900 0.083 -0.961) 3.056 2.719 ( 3.199 3.079 5.093) 6.756 2.838 ( 1.487 3.499 -1.573) 4.115 3.097 ( 1.127 4.312 4.602) 6.406 3.121 ( -1.328 3.896 4.585) 6.161 3.265 ( 4.355 0.486 -2.429) 5.010 3.355 ( 3.393 2.856 1.664) 4.736 3.516 ( 2.537 -2.491 -0.697) 3.623 3.571 ( 8.797 -0.581 -0.702) 8.845 3.625 ( 7.719 -1.342 1.774) 8.033 3.755 ( -6.089 5.516 3.418) 8.899 3.815 ( -2.857 0.900 7.152) 7.754 4.084 ( -1.526 1.650 9.152) 9.424 4.151 ( 1.850 -3.067 -1.758) 3.991 4.209 ( 2.009 -2.003 2.652) 3.884 4.281 ( -2.283 0.734 -5.799) 6.275 4.419 ( 6.589 -4.384 -1.929) 8.146 4.479 ( 6.540 -1.360 -9.166) 11.342 4.568 ( -1.975 5.282 10.114) 11.580 4.647 ( -5.694 1.441 6.111) 8.476 4.740 ( -1.433 5.877 -1.011) 6.133 4.862 ( 4.279 4.202 -4.356) 7.412 4.943 ( -1.980 1.122 5.282) 5.752 5.165 ( 6.240 -2.183 -0.865) 6.667 5.342 ( 7.749 -3.023 9.642) 12.734 5.483 ( 2.035 -3.218 -10.443) 11.115 5.543 ( 8.567 -0.324 -4.998) 9.923 5.680 ( -10.596 3.332 -2.306) 11.344 5.741 ( -4.192 -0.339 -1.645) 4.516 5.885 ( 9.753 1.681 -0.062) 9.897 6.089 ( 9.260 -0.477 -1.802) 9.445 6.123 ( 7.240 2.753 9.561) 12.305 6.274 ( -4.910 -0.953 -0.568) 5.034 6.384 ( -9.625 2.058 -4.234) 10.715 6.467 ( -4.869 3.904 -4.330) 7.595 6.602 ( 5.972 0.018 3.081) 6.720 6.624 ( -8.042 -7.606 5.365) 12.300 6.815 ( -1.849 1.232 -3.432) 4.089 6.984 ( -6.263 3.079 -5.214) 8.711 7.106 ( -2.942 -1.345 7.183) 7.878 7.154 ( 3.157 -0.998 3.797) 5.038 7.349 ( -7.586 0.997 9.959) 12.559 7.548 ( 0.621 -1.041 -1.862) 2.222 7.650 ( 2.794 1.067 -2.617) 3.974 7.770 ( 1.567 -2.490 2.049) 3.585 7.881 ( 1.460 -2.231 -2.764) 3.840 7.911 ( -3.291 -0.454 -7.812) 8.489 8.038 ( -4.554 -2.958 0.493) 5.453 8.147 ( -2.626 -7.514 -4.001) 8.908 8.409 ( -2.631 4.360 0.904) 5.171 8.643 ( -6.593 1.743 -8.273) 10.721 9.049 ( -0.665 -8.103 4.256) 9.177 9.161 ( -0.645 -11.105 -1.162) 11.184 9.354 ( 3.454 0.330 -0.822) 3.566 9.482 ( -2.875 0.391 -2.089) 3.575 9.697 ( -1.525 6.898 -0.356) 7.073 9.748 ( -0.146 7.779 -1.477) 7.919 9.979 ( 6.770 -0.346 0.865) 6.833 10.112 ( 0.202 -4.944 2.672) 5.623 10.196 ( -1.221 1.086 -0.676) 1.768 10.238 ( -4.739 -0.672 -3.050) 5.676 10.361 ( -3.110 -0.905 8.474) 9.072 10.572 ( -3.640 -3.167 -2.151) 5.283 11.257 ( -1.045 -5.500 3.800) 6.767 11.349 ( -0.138 -4.489 4.523) 6.374 11.506 ( 1.439 0.157 -1.314) 1.955 11.668 ( 0.575 1.468 -3.940) 4.244 11.812 ( 0.562 -0.248 -4.822) 4.861 11.982 ( -4.782 3.716 -7.142) 9.364 12.287 ( 3.146 -4.023 4.112) 6.557 12.406 ( -3.876 -1.565 1.366) 4.397 12.681 ( 3.733 -4.931 2.063) 6.519 12.797 ( -2.091 -4.234 -3.922) 6.139 13.089 ( 0.659 -3.405 1.538) 3.794 13.092 ( 1.247 -2.674 1.780) 3.446 13.716 ( 3.189 3.150 3.778) 5.862 13.835 ( 1.058 1.814 -0.778) 2.239 14.189 ( 4.825 -1.986 -0.324) 5.228 14.266 ( -0.094 1.412 -0.718) 1.587 14.388 ( 4.926 1.027 8.317) 9.721 14.587 ( 6.274 -1.271 -6.502) 9.125 14.781 ( 7.588 -2.036 6.724) 10.341 15.146 ( -2.070 -6.958 -6.512) 9.752 15.380 ( -2.793 -1.503 3.159) 4.476 15.429 ( 0.453 0.045 -2.110) 2.158 15.531 ( 0.308 -1.364 -0.558) 1.505 15.555 ( 0.957 -0.787 -1.580) 2.008 15.948 ( -4.313 8.228 2.044) 9.511 15.952 ( 1.376 7.725 -0.234) 7.850 16.222 ( -1.629 6.677 -3.790) 7.849 16.283 ( 4.739 2.167 -7.458) 9.098 16.859 ( -1.346 -1.593 2.947) 3.610 16.970 ( -1.414 -1.832 -1.656) 2.845 17.542 ( 7.669 5.325 8.701) 12.762 17.789 ( 2.702 3.007 -2.353) 4.678 20.218 ( -0.808 -0.504 -0.369) 1.022 20.286 ( -6.067 -0.322 -0.339) 6.085 20.534 ( 0.940 -0.070 -1.587) 1.846 20.565 ( -4.235 -1.032 1.042) 4.482 25.361 ( 1.077 -1.789 -1.028) 2.327 25.371 ( -1.314 -2.196 0.337) 2.582 25.466 ( 0.999 -1.317 1.232) 2.061 25.516 ( 0.711 -2.057 -1.193) 2.482 26.091 ( -0.551 6.212 1.075) 6.329 26.191 ( -3.533 5.588 -4.189) 7.826 26.371 ( 2.905 5.415 3.988) 7.326 26.550 ( -5.089 5.942 -2.179) 8.121 27.206 ( 1.082 3.322 8.919) 9.579 27.326 ( 2.882 0.936 1.695) 3.472 27.508 ( 3.012 -3.479 8.886) 10.007 27.600 ( 2.377 -0.595 0.979) 2.639 27.854 ( 1.192 2.671 2.117) 3.611 27.928 ( 0.567 -0.148 -0.129) 0.600 27.987 ( 2.046 2.515 -4.527) 5.569 28.135 ( -0.801 0.434 -4.448) 4.541 28.558 ( 5.644 4.833 -4.442) 8.657 28.619 ( 0.616 6.308 -2.363) 6.764 29.133 ( -3.086 -1.677 1.731) 3.916 29.162 ( -4.119 1.022 -0.882) 4.334 29.336 ( -4.087 1.977 9.495) 10.524 29.578 ( 4.936 -3.054 -10.779) 12.242 29.785 ( 3.717 -3.630 2.947) 5.973 29.868 ( 1.052 -2.298 0.064) 2.528 31.076 ( -14.097 -3.418 4.933) 15.321 31.156 ( 3.691 -1.212 -11.750) 12.376 31.780 ( 3.560 -9.196 7.162) 12.187 32.097 ( -9.298 -10.125 -6.042) 15.016 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -14.319 3.148 -4.145) 15.235 1.971 ( 1.935 3.630 2.805) 4.979 2.016 ( -11.599 6.574 13.058) 18.662 2.280 ( 4.643 2.492 -3.850) 6.526 2.398 ( -6.335 -1.393 -0.018) 6.486 2.551 ( 5.720 1.566 -2.129) 6.301 2.779 ( -0.470 5.004 2.162) 5.471 2.812 ( -3.176 1.213 -2.282) 4.095 3.002 ( -9.999 3.567 10.564) 14.977 3.204 ( 1.879 4.489 -0.075) 4.867 3.304 ( -3.288 1.278 -3.216) 4.774 3.327 ( -2.828 -0.109 0.325) 2.849 3.513 ( -5.470 -0.439 1.838) 5.787 3.587 ( -2.947 -3.539 -3.568) 5.826 3.681 ( -0.670 0.740 -2.605) 2.790 3.742 ( 4.058 6.641 5.060) 9.282 3.913 ( -5.205 0.453 13.521) 14.496 3.996 ( -10.351 -0.233 8.171) 13.189 4.050 ( -0.703 -1.861 -9.133) 9.347 4.202 ( -9.926 3.171 9.226) 13.918 4.298 ( 1.102 0.095 -0.649) 1.282 4.405 ( -4.119 -2.651 -1.332) 5.077 4.437 ( -2.843 -4.437 -5.657) 7.731 4.560 ( -5.163 1.355 6.143) 8.138 4.690 ( 6.754 -1.941 0.658) 7.058 4.788 ( -3.464 4.751 -1.971) 6.202 4.811 ( 1.646 2.178 4.737) 5.467 5.010 ( 6.046 4.357 -5.069) 9.013 5.229 ( -5.422 -3.977 7.157) 9.820 5.354 ( 2.000 1.074 -4.669) 5.192 5.378 ( -3.683 0.733 -9.290) 10.020 5.636 ( 3.161 -2.092 0.560) 3.832 5.654 ( 2.122 -0.075 -2.140) 3.014 5.797 ( 12.514 1.990 -11.588) 17.171 5.993 ( -9.329 -3.042 -5.014) 11.019 6.088 ( -12.927 0.399 -0.926) 12.966 6.155 ( 11.601 1.100 6.931) 13.559 6.273 ( -1.952 2.591 3.334) 4.652 6.291 ( -5.275 1.045 -4.316) 6.895 6.354 ( 7.345 4.070 6.219) 10.449 6.601 ( -4.496 0.841 4.576) 6.470 6.635 ( 4.151 -5.757 1.632) 7.283 6.814 ( 0.246 -1.203 -3.538) 3.745 6.957 ( 7.386 4.171 -1.670) 8.646 7.159 ( -7.943 -2.038 3.523) 8.925 7.205 ( 4.894 -3.981 3.238) 7.092 7.324 ( 4.782 1.065 9.240) 10.459 7.644 ( 10.142 2.227 -12.462) 16.221 7.724 ( -1.507 -1.369 -2.538) 3.254 7.741 ( 3.939 -2.211 1.748) 4.843 7.843 ( -0.300 -5.295 -3.197) 6.192 7.876 ( 3.210 -1.842 -4.105) 5.528 8.060 ( 1.813 -4.049 1.679) 4.744 8.119 ( 5.361 -4.987 -2.419) 7.711 8.433 ( 2.115 3.876 7.545) 8.742 8.487 ( -2.563 4.026 -5.745) 7.469 9.052 ( -3.441 -8.625 3.445) 9.905 9.167 ( 2.044 -10.551 -0.175) 10.748 9.367 ( -1.862 2.273 -2.523) 3.873 9.489 ( 7.252 0.753 -3.029) 7.896 9.675 ( -1.555 8.511 3.375) 9.287 9.726 ( 0.030 6.594 -1.734) 6.819 10.020 ( -8.911 -2.387 -0.377) 9.233 10.128 ( -3.888 2.907 2.479) 5.451 10.141 ( 6.154 -1.448 0.632) 6.354 10.247 ( 4.438 0.838 -2.923) 5.380 10.434 ( 2.799 -4.017 8.669) 9.956 10.515 ( 1.348 -4.115 -4.176) 6.016 11.282 ( -0.659 -7.070 5.523) 8.996 11.375 ( 2.608 -7.055 -2.078) 7.804 11.570 ( 3.603 1.652 3.454) 5.257 11.593 ( -1.988 -1.419 -7.036) 7.447 11.822 ( -4.159 3.422 -2.530) 5.950 11.874 ( 3.112 6.042 -0.576) 6.821 12.311 ( -3.582 -2.517 3.011) 5.314 12.413 ( 4.183 -3.356 0.175) 5.366 12.704 ( -2.370 -4.461 -1.179) 5.187 12.785 ( 4.331 -3.490 -2.374) 6.047 13.040 ( -5.254 -1.163 3.636) 6.494 13.173 ( 4.521 -5.190 -2.552) 7.341 13.770 ( -2.191 0.723 0.981) 2.507 13.820 ( 1.104 2.634 -1.089) 3.057 14.181 ( -7.768 0.643 0.192) 7.796 14.232 ( -0.741 -1.843 2.094) 2.886 14.450 ( -3.674 2.238 5.953) 7.345 14.573 ( -2.643 -1.399 -8.463) 8.976 14.968 ( 3.130 -3.414 6.852) 8.271 14.988 ( -6.041 -5.714 -8.862) 12.153 15.370 ( -1.158 -0.420 3.251) 3.477 15.421 ( 0.327 -0.343 -0.389) 0.613 15.505 ( -2.423 -2.778 1.741) 4.076 15.558 ( 0.162 0.496 -2.432) 2.487 15.901 ( -2.000 9.504 3.208) 10.228 15.994 ( 2.726 8.877 -0.452) 9.297 16.180 ( -1.285 3.274 -0.404) 3.540 16.269 ( 0.033 3.003 -6.890) 7.516 16.877 ( -0.867 -2.272 3.144) 3.974 16.955 ( 2.860 -0.005 -2.129) 3.565 17.686 ( -2.869 2.336 2.271) 4.342 17.729 ( -1.598 3.322 -2.670) 4.552 20.218 ( -0.017 -0.894 -0.261) 0.932 20.276 ( 6.391 -0.001 0.409) 6.404 20.521 ( -0.852 -0.139 -0.379) 0.943 20.595 ( 6.218 -1.431 -1.579) 6.573 25.348 ( -1.199 -1.428 0.127) 1.869 25.383 ( 1.850 -2.143 -0.760) 2.931 25.488 ( -0.170 -1.235 1.390) 1.868 25.499 ( -1.090 -3.057 -1.747) 3.686 26.103 ( 0.082 4.432 1.509) 4.683 26.155 ( 3.050 7.821 -2.253) 8.692 26.455 ( -1.977 5.476 -2.907) 6.507 26.489 ( 5.931 6.003 2.497) 8.801 27.278 ( 0.051 2.869 6.550) 7.151 27.340 ( -0.890 1.859 -2.739) 3.428 27.576 ( -1.583 -1.829 3.313) 4.103 27.618 ( 0.233 -0.849 -0.306) 0.932 27.864 ( -2.119 0.626 3.355) 4.017 27.950 ( 1.470 -0.343 -1.656) 2.241 28.005 ( -0.318 2.423 0.406) 2.477 28.043 ( -1.925 1.982 -5.820) 6.442 28.507 ( -10.763 5.103 -0.171) 11.912 28.596 ( -1.018 6.234 -0.533) 6.339 29.111 ( 0.143 -1.591 2.786) 3.211 29.166 ( 4.675 1.441 -0.685) 4.940 29.329 ( -4.693 1.137 10.353) 11.424 29.575 ( 3.494 -3.113 -10.912) 11.873 29.822 ( -3.238 -4.757 1.604) 5.974 29.850 ( -1.767 -2.697 0.051) 3.225 30.848 ( -13.719 0.334 11.909) 18.170 31.278 ( 14.643 -3.469 -9.642) 17.872 31.910 ( 0.657 -10.509 0.209) 10.531 31.991 ( 7.971 -8.862 -1.213) 11.981 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -15.308 4.095 7.000) 17.323 1.894 ( -12.358 14.525 19.370) 27.183 2.007 ( -5.610 1.872 5.814) 8.293 2.246 ( -5.710 -2.613 -4.102) 7.501 2.355 ( 0.967 0.188 0.179) 1.001 2.581 ( -1.723 -4.732 -2.641) 5.687 2.684 ( -9.148 -1.455 -0.139) 9.264 2.737 ( -6.601 3.120 0.122) 7.303 2.914 ( -10.276 7.470 8.542) 15.309 3.065 ( -16.471 -1.496 2.514) 16.729 3.153 ( -9.874 3.307 0.280) 10.417 3.235 ( -8.349 4.747 -2.965) 10.051 3.292 ( -12.315 3.003 -3.104) 13.050 3.379 ( -14.310 0.060 -2.179) 14.475 3.621 ( -9.206 -4.201 6.515) 12.035 3.791 ( 4.628 3.082 3.681) 6.668 3.883 ( -1.781 3.684 10.767) 11.519 3.975 ( -5.221 -3.932 0.745) 6.578 4.059 ( 0.842 -0.094 -5.019) 5.090 4.158 ( 3.727 -2.787 3.183) 5.638 4.242 ( 4.180 1.606 3.184) 5.495 4.358 ( -2.152 1.574 -0.598) 2.733 4.419 ( 1.780 2.533 -0.789) 3.195 4.546 ( -3.579 4.853 8.378) 10.322 4.696 ( 2.758 4.704 -1.338) 5.615 4.759 ( -4.325 -4.652 -4.433) 7.746 4.852 ( -2.274 -4.110 8.025) 9.299 5.090 ( 2.203 0.287 -1.893) 2.919 5.193 ( -1.759 -0.680 5.832) 6.130 5.263 ( 4.242 1.024 -24.537) 24.922 5.348 ( 0.814 -0.460 -2.804) 2.955 5.606 ( -10.230 0.772 3.661) 10.893 5.630 ( -1.727 2.863 -4.245) 5.404 5.768 ( 0.166 3.357 -6.808) 7.592 5.863 ( -4.332 2.114 -1.314) 4.996 5.941 ( -3.668 0.775 -3.128) 4.883 6.105 ( -6.989 -0.040 -1.200) 7.091 6.346 ( 14.777 0.614 -1.975) 14.921 6.427 ( -6.223 7.510 -0.119) 9.754 6.549 ( 5.846 2.603 7.056) 9.525 6.576 ( 12.210 2.956 2.602) 12.830 6.735 ( -0.663 -4.512 2.328) 5.120 6.804 ( -0.145 -5.102 -4.206) 6.614 6.951 ( -3.874 -1.283 1.471) 4.338 7.090 ( -0.063 2.296 -0.226) 2.307 7.281 ( 3.200 -4.424 -0.863) 5.527 7.513 ( 1.718 3.114 2.477) 4.334 7.646 ( -2.129 0.366 -6.416) 6.770 7.771 ( 8.400 -5.530 -1.631) 10.188 7.823 ( 6.362 -5.869 -1.612) 8.804 7.856 ( 4.219 -3.524 -0.038) 5.497 7.919 ( 3.674 -1.532 -3.789) 5.495 8.158 ( 7.193 -4.807 0.814) 8.690 8.222 ( 8.428 -4.703 -2.392) 9.944 8.471 ( 0.427 4.337 0.543) 4.392 8.645 ( 11.851 1.671 10.734) 16.076 9.028 ( 0.981 -7.720 3.309) 8.456 9.204 ( 0.186 -12.136 3.588) 12.657 9.348 ( 4.300 0.890 -5.146) 6.765 9.618 ( 6.947 6.286 -1.753) 9.532 9.676 ( -1.173 4.612 1.140) 4.894 9.739 ( 0.493 6.559 2.663) 7.096 9.843 ( -7.296 1.158 -0.309) 7.394 10.099 ( -0.523 -1.328 1.470) 2.049 10.196 ( 1.964 1.281 -1.886) 3.009 10.332 ( 5.843 -3.147 0.207) 6.640 10.494 ( 3.118 -3.057 -0.198) 4.371 10.637 ( 7.999 -2.416 4.515) 9.498 11.308 ( 0.679 -6.581 3.249) 7.371 11.400 ( 0.883 -7.772 -5.188) 9.386 11.531 ( 1.485 0.605 -5.063) 5.311 11.640 ( 0.022 0.963 0.193) 0.983 11.752 ( 0.494 -0.271 2.887) 2.941 11.994 ( 6.045 8.110 5.360) 11.447 12.249 ( -3.445 -5.084 -1.673) 6.365 12.503 ( 4.986 -2.313 -0.323) 5.506 12.661 ( -0.167 -2.832 -1.774) 3.346 12.854 ( 4.439 -3.083 -1.372) 5.576 12.958 ( -6.032 1.254 2.700) 6.726 13.206 ( 1.782 -5.280 -4.422) 7.114 13.685 ( -4.415 1.048 -3.167) 5.534 13.798 ( -4.972 4.988 -1.751) 7.257 14.000 ( -12.212 -0.567 2.849) 12.552 14.183 ( -9.345 -5.545 -2.382) 11.124 14.369 ( -7.355 0.687 3.603) 8.219 14.407 ( -5.461 -1.560 -5.628) 7.996 14.744 ( -9.606 -5.348 -9.066) 14.251 15.002 ( -8.145 -8.063 6.200) 13.031 15.380 ( -0.214 1.032 2.911) 3.096 15.425 ( -1.966 -0.571 1.526) 2.554 15.495 ( 1.925 1.579 1.315) 2.816 15.550 ( 0.375 1.614 -0.539) 1.743 15.924 ( 1.930 10.793 1.803) 11.112 16.027 ( 0.366 7.845 1.381) 7.974 16.121 ( -4.405 2.496 -2.138) 5.496 16.266 ( 3.696 4.940 -0.724) 6.212 16.860 ( -1.444 -2.359 0.490) 2.809 17.027 ( 4.031 0.519 -0.233) 4.071 17.527 ( -6.147 0.534 -6.887) 9.247 17.647 ( -10.738 0.813 -0.526) 10.781 20.276 ( 5.643 1.701 0.172) 5.897 20.420 ( 6.872 2.448 -1.009) 7.365 20.547 ( 4.791 -0.213 2.072) 5.224 20.723 ( 9.029 -3.048 -2.870) 9.953 25.333 ( -0.612 -0.589 0.651) 1.070 25.412 ( 1.800 -2.179 -1.020) 3.005 25.465 ( -1.120 -0.755 -1.058) 1.716 25.477 ( -1.604 -0.594 0.472) 1.774 26.123 ( 1.722 4.828 0.091) 5.127 26.240 ( 5.151 12.453 -0.145) 13.477 26.420 ( 2.465 -0.818 -3.275) 4.180 26.645 ( 8.432 4.341 1.947) 9.682 27.258 ( -3.671 2.734 -4.188) 6.204 27.297 ( -1.848 3.267 -0.980) 3.879 27.467 ( -8.779 -0.155 -4.951) 10.080 27.593 ( -3.808 -0.923 -4.121) 5.686 27.837 ( -2.546 1.142 0.743) 2.888 27.885 ( -4.111 2.221 -0.294) 4.682 27.959 ( 0.338 -0.458 -2.662) 2.722 28.082 ( 0.183 0.336 4.149) 4.166 28.326 ( -8.629 4.399 8.219) 12.703 28.553 ( -2.319 7.364 0.810) 7.763 29.125 ( -4.523 -4.636 7.556) 9.953 29.253 ( 3.623 0.386 -1.235) 3.847 29.344 ( 0.552 1.308 5.914) 6.082 29.553 ( 2.528 -1.845 -9.450) 9.955 29.705 ( -7.443 -3.390 -1.358) 8.291 29.801 ( -4.946 -2.342 1.406) 5.651 30.791 ( -4.340 1.655 18.638) 19.208 31.471 ( 10.761 -5.226 -7.446) 14.090 31.955 ( 10.447 -7.543 -5.779) 14.122 32.238 ( 13.145 -14.990 5.459) 20.671 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.17 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -9.334 3.106 19.672) 21.994 1.712 ( -24.128 4.918 24.554) 34.774 1.906 ( -5.786 8.711 -2.647) 10.787 2.077 ( -7.479 -5.153 -5.926) 10.845 2.366 ( -3.990 2.358 0.192) 4.639 2.398 ( -13.757 1.617 1.545) 13.938 2.485 ( -5.741 -4.360 -1.665) 7.399 2.623 ( -6.445 6.080 12.436) 15.270 2.697 ( -7.882 0.777 2.371) 8.267 2.843 ( -14.266 4.545 -4.033) 15.507 2.993 ( -8.785 4.479 -0.351) 9.867 3.023 ( -0.537 -0.867 3.768) 3.903 3.199 ( -1.292 2.383 -5.489) 6.122 3.255 ( -0.554 1.272 -2.401) 2.773 3.526 ( -7.356 -3.209 14.305) 16.403 3.805 ( -1.478 -5.544 -0.556) 5.764 3.885 ( -4.161 -1.738 8.279) 9.428 4.004 ( 2.453 4.858 5.085) 7.449 4.068 ( 1.967 3.401 -1.393) 4.169 4.253 ( -4.318 -3.523 2.499) 6.108 4.338 ( 7.337 -1.080 -0.609) 7.441 4.418 ( 2.743 2.407 -5.833) 6.881 4.438 ( -1.107 -3.300 7.559) 8.322 4.481 ( -0.757 0.773 1.537) 1.880 4.610 ( 0.849 -1.050 -7.736) 7.852 4.777 ( 0.027 3.189 6.279) 7.042 4.947 ( 3.782 -0.844 3.390) 5.148 5.017 ( -5.765 -1.177 5.170) 7.832 5.102 ( -0.731 1.839 -26.763) 26.836 5.253 ( 2.162 8.056 1.012) 8.402 5.359 ( -6.893 1.285 6.840) 9.796 5.448 ( -3.094 5.991 -4.858) 8.311 5.542 ( -3.016 6.398 5.569) 9.002 5.667 ( 1.515 3.223 -12.988) 13.468 5.847 ( 3.085 0.919 -2.414) 4.023 5.932 ( -3.908 -1.814 -2.345) 4.905 6.052 ( 6.208 0.869 -5.823) 8.556 6.268 ( -7.348 3.027 -8.107) 11.353 6.489 ( 0.289 -2.351 3.319) 4.078 6.629 ( -0.672 -1.117 4.218) 4.415 6.657 ( -1.199 2.922 1.392) 3.451 6.736 ( 1.489 -1.067 -4.834) 5.170 6.906 ( 7.984 1.890 3.934) 9.099 6.961 ( 5.920 1.451 -1.641) 6.313 7.074 ( -2.060 3.407 -0.020) 3.982 7.279 ( -5.018 -2.614 3.338) 6.569 7.461 ( -6.689 2.572 -1.369) 7.296 7.571 ( 1.171 3.549 -1.834) 4.163 7.832 ( 1.206 -0.360 -5.809) 5.944 7.873 ( 3.291 -5.939 6.195) 9.192 7.924 ( 3.231 -3.426 -11.036) 11.998 8.029 ( 2.988 -7.736 1.930) 8.515 8.260 ( 4.509 -5.407 5.182) 8.742 8.417 ( 2.242 1.884 0.687) 3.008 8.541 ( 12.718 -0.817 0.638) 12.760 8.844 ( 4.919 -4.791 -0.805) 6.914 9.140 ( 3.868 -6.880 3.644) 8.693 9.288 ( 7.112 -11.080 9.818) 16.423 9.448 ( 6.289 -2.200 0.386) 6.674 9.572 ( -7.255 0.382 -4.154) 8.369 9.654 ( -2.981 0.167 3.298) 4.449 9.767 ( 4.447 6.624 -4.631) 9.225 9.839 ( 1.131 2.662 3.300) 4.388 10.032 ( -2.477 -1.682 -8.899) 9.389 10.337 ( 4.366 -3.066 4.829) 7.196 10.503 ( 12.042 1.311 4.064) 12.777 10.583 ( 10.112 -2.514 -0.025) 10.420 10.811 ( 7.078 -4.160 4.545) 9.384 11.339 ( -2.442 -2.805 -2.908) 4.721 11.380 ( 3.889 -8.070 4.534) 10.040 11.487 ( 0.104 2.641 -9.077) 9.454 11.691 ( 4.567 -6.469 -0.878) 7.968 11.818 ( 1.134 -0.053 6.301) 6.402 12.112 ( 0.490 -2.105 -2.167) 3.061 12.192 ( 3.981 2.964 -3.479) 6.061 12.544 ( -1.347 -1.611 -4.532) 4.995 12.687 ( 2.936 -2.141 0.802) 3.721 12.863 ( -5.975 2.911 2.216) 7.006 12.940 ( 5.706 -2.725 0.662) 6.358 13.189 ( 1.413 -3.025 -4.471) 5.580 13.585 ( -4.600 4.135 -3.223) 6.974 13.630 ( -7.504 0.780 -3.087) 8.152 13.702 ( -24.935 -5.489 -4.945) 26.007 13.847 ( -14.423 -1.460 0.404) 14.502 14.292 ( -4.114 -2.937 1.412) 5.248 14.347 ( -1.474 2.556 -0.568) 3.005 14.573 ( -2.787 -5.533 -1.090) 6.291 14.805 ( -13.866 -6.540 2.218) 15.491 15.400 ( -0.449 2.177 2.946) 3.690 15.409 ( 0.074 1.135 0.965) 1.492 15.545 ( 0.235 3.630 2.080) 4.190 15.562 ( 1.823 1.563 -1.015) 2.607 15.942 ( 0.143 11.537 -3.904) 12.181 15.995 ( -3.533 4.054 -0.836) 5.442 16.125 ( 4.386 2.425 6.491) 8.201 16.336 ( 2.084 3.338 0.915) 4.040 16.852 ( -0.189 -0.161 2.899) 2.910 17.054 ( -0.952 3.389 -2.046) 4.071 17.376 ( -9.218 0.953 -0.435) 9.277 17.432 ( -4.391 1.317 -4.677) 6.549 20.384 ( 5.062 4.360 -0.195) 6.683 20.475 ( 2.066 3.045 -2.436) 4.413 20.718 ( 7.664 -1.037 4.895) 9.152 20.860 ( 7.730 -3.542 -3.788) 9.309 25.337 ( 0.149 -0.194 1.482) 1.502 25.423 ( -0.007 -1.106 -1.611) 1.954 25.444 ( -0.804 0.774 0.832) 1.392 25.459 ( 0.418 0.321 -1.027) 1.154 26.158 ( 1.829 4.253 -0.351) 4.643 26.267 ( -0.014 14.467 -4.158) 15.053 26.552 ( 11.227 -3.173 2.672) 11.969 26.807 ( 7.720 1.381 0.062) 7.843 27.113 ( -10.820 1.553 -6.283) 12.608 27.192 ( -2.479 4.525 -3.748) 6.377 27.290 ( -6.839 0.305 -3.727) 7.795 27.391 ( -10.828 2.678 -6.294) 12.808 27.825 ( -0.585 0.257 1.668) 1.786 27.875 ( 1.400 1.861 4.581) 5.140 27.940 ( 0.061 -0.999 -3.225) 3.377 28.068 ( -3.378 -0.374 1.419) 3.683 28.325 ( -1.058 2.646 9.962) 10.361 28.535 ( -0.488 8.333 -0.586) 8.368 29.069 ( -7.609 -5.673 11.235) 14.707 29.258 ( 0.681 -3.571 -5.110) 6.271 29.413 ( 2.768 1.139 2.825) 4.116 29.539 ( 2.010 0.964 -5.580) 6.008 29.597 ( -2.970 -0.234 0.125) 2.982 29.701 ( -5.907 -1.001 0.030) 5.992 30.941 ( 3.775 -0.374 20.127) 20.481 31.528 ( 3.055 -5.534 -9.996) 11.827 32.188 ( 14.917 -9.396 -0.735) 17.645 32.470 ( 6.460 -19.022 2.136) 20.202 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.840 0.615 12.022) 12.067 1.692 ( -0.253 9.751 10.652) 14.443 1.884 ( 2.333 -0.803 -1.022) 2.671 2.062 ( 5.375 11.501 -13.701) 18.678 2.187 ( -1.604 0.224 1.706) 2.352 2.300 ( 2.595 -1.625 -7.500) 8.101 2.440 ( 1.510 -5.485 1.274) 5.830 2.487 ( -6.532 -4.844 -1.215) 8.223 2.754 ( 4.952 2.798 5.390) 7.836 2.899 ( -1.624 1.546 -6.745) 7.108 2.992 ( 1.108 3.971 7.870) 8.884 3.023 ( 0.591 -2.235 3.768) 4.421 3.191 ( 0.384 1.002 0.079) 1.076 3.232 ( -2.772 1.434 -1.989) 3.701 3.513 ( 1.131 -0.524 5.234) 5.380 3.632 ( 1.772 -7.379 -2.338) 7.941 3.932 ( -7.275 0.863 4.960) 8.847 4.003 ( 2.061 -1.804 -3.190) 4.205 4.020 ( -4.739 3.550 11.607) 13.030 4.222 ( -1.165 -3.002 -3.477) 4.739 4.309 ( -0.537 3.521 6.279) 7.218 4.379 ( -4.880 1.422 5.953) 7.828 4.444 ( 1.590 -2.873 -1.007) 3.434 4.532 ( 3.397 -2.006 -3.203) 5.081 4.688 ( 7.029 4.416 1.892) 8.513 4.844 ( -8.379 4.175 -2.848) 9.785 4.917 ( -10.713 2.268 1.423) 11.042 4.983 ( 9.528 -3.365 -4.457) 11.044 5.226 ( 5.416 6.091 4.996) 9.560 5.360 ( 0.101 -1.546 6.199) 6.390 5.390 ( -6.955 8.063 -4.226) 11.456 5.513 ( -6.573 8.572 11.162) 15.533 5.577 ( 1.315 -2.559 -8.635) 9.102 5.791 ( -0.654 4.621 -1.910) 5.043 5.832 ( -4.201 -4.374 -5.909) 8.467 5.937 ( 9.064 -2.476 -4.772) 10.538 6.098 ( 7.433 9.616 1.119) 12.205 6.221 ( -1.023 6.802 -6.964) 9.788 6.494 ( 1.328 -1.729 1.931) 2.912 6.543 ( -1.397 -4.927 -2.466) 5.684 6.670 ( -2.728 4.246 4.696) 6.894 6.813 ( 2.037 1.829 -6.136) 6.718 7.012 ( -1.651 4.218 4.540) 6.413 7.129 ( 0.533 5.146 -3.835) 6.440 7.173 ( 1.810 1.613 9.984) 10.274 7.245 ( -4.571 1.915 5.432) 7.353 7.424 ( -0.878 2.214 -0.312) 2.402 7.568 ( 0.480 -3.441 -7.060) 7.869 7.797 ( -2.179 -2.320 2.324) 3.941 7.828 ( -3.200 -6.539 2.456) 7.683 7.891 ( 2.829 0.643 -4.897) 5.692 7.920 ( 4.100 0.579 -2.904) 5.058 8.305 ( 5.260 -2.925 8.297) 10.250 8.437 ( -1.732 0.765 -3.717) 4.171 8.639 ( 5.761 -6.354 1.392) 8.690 8.686 ( -6.384 -7.621 -2.280) 10.200 9.108 ( 5.604 -7.306 6.093) 11.041 9.207 ( 0.678 -13.697 2.722) 13.981 9.400 ( -2.986 -0.219 0.323) 3.012 9.499 ( -6.601 -5.900 3.195) 9.412 9.557 ( 2.632 -0.281 -2.660) 3.753 9.685 ( -4.298 -5.021 -3.999) 7.725 9.887 ( 3.902 1.702 -6.001) 7.358 9.940 ( -0.323 0.085 -8.757) 8.764 10.411 ( 1.667 3.177 9.036) 9.722 10.610 ( -1.479 2.427 -6.179) 6.801 10.662 ( 2.711 -8.169 3.261) 9.204 10.758 ( -0.133 -6.185 -2.761) 6.774 11.312 ( 0.347 1.780 1.462) 2.329 11.387 ( 4.538 -1.914 -0.443) 4.945 11.476 ( -3.510 -0.723 -4.390) 5.667 11.513 ( -0.450 -2.577 -4.145) 4.901 11.891 ( -1.422 1.795 2.809) 3.624 11.996 ( 2.424 -2.012 -6.613) 7.325 12.388 ( 3.867 1.298 -1.423) 4.320 12.413 ( -4.520 0.267 -3.067) 5.469 12.717 ( -2.399 2.819 7.679) 8.525 12.837 ( -2.229 -0.071 -0.597) 2.309 12.997 ( 5.186 -2.914 0.047) 5.949 13.067 ( -2.885 -4.099 -5.455) 7.408 13.440 ( 3.082 2.530 1.116) 4.141 13.478 ( -3.924 1.388 -2.401) 4.805 13.611 ( -0.765 -0.648 2.182) 2.401 13.652 ( 1.336 -1.469 -1.503) 2.491 14.266 ( 2.077 1.457 3.963) 4.705 14.351 ( -2.124 3.763 -4.121) 5.971 14.475 ( 3.386 -7.160 2.989) 8.465 14.542 ( -2.568 -4.285 -3.429) 6.059 15.459 ( -0.759 2.062 2.724) 3.500 15.476 ( 0.965 1.512 1.040) 2.073 15.611 ( -1.435 3.190 1.210) 3.701 15.645 ( 2.367 1.767 -1.570) 3.346 16.026 ( -1.589 4.314 2.095) 5.052 16.075 ( 1.138 4.039 -2.351) 4.810 16.283 ( -1.482 1.679 5.212) 5.673 16.345 ( 1.550 -0.717 -0.355) 1.745 16.984 ( 2.080 3.122 3.415) 5.073 17.060 ( -0.737 0.195 -3.301) 3.388 17.346 ( -2.781 4.514 2.812) 6.002 17.407 ( 2.049 1.296 -2.971) 3.835 20.544 ( -1.086 4.780 -0.606) 4.940 20.553 ( 1.326 4.533 -1.338) 4.909 20.768 ( -1.019 -2.956 2.538) 4.028 20.826 ( 0.996 -5.096 -2.713) 5.858 25.362 ( 0.529 0.415 0.988) 1.195 25.389 ( -0.557 -0.722 -1.441) 1.705 25.464 ( 0.237 0.818 0.387) 0.935 25.474 ( 0.280 0.339 -0.608) 0.750 26.272 ( 0.961 5.195 5.700) 7.771 26.397 ( -1.433 3.581 -4.216) 5.714 26.827 ( 9.451 3.167 3.298) 10.499 26.901 ( 0.769 -0.272 1.767) 1.946 26.921 ( -8.541 1.149 -1.614) 8.768 27.013 ( -7.324 -1.020 -11.485) 13.660 27.302 ( -4.345 3.711 -1.031) 5.806 27.328 ( 1.986 3.071 -3.109) 4.800 27.834 ( -0.714 0.471 1.960) 2.138 27.885 ( -0.388 -1.726 -2.619) 3.161 27.969 ( 2.168 0.021 1.191) 2.473 27.986 ( 0.835 -0.637 -0.491) 1.159 28.562 ( 5.079 9.744 8.256) 13.745 28.691 ( -2.402 10.104 -3.865) 11.082 28.933 ( -2.571 -6.114 10.351) 12.293 29.116 ( 4.499 -8.887 -6.575) 11.935 29.518 ( 0.602 2.027 2.742) 3.463 29.564 ( 0.735 0.288 -0.278) 0.837 29.595 ( 0.664 0.550 0.496) 0.995 29.612 ( -1.378 -0.135 -0.106) 1.388 31.111 ( 2.049 -0.440 11.181) 11.375 31.320 ( -1.327 -7.899 -7.424) 10.921 32.063 ( -6.445 -8.940 7.514) 13.339 32.210 ( 5.305 -13.155 -5.656) 15.270 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.448 -0.220 -3.446) 3.744 1.834 ( 7.794 -5.204 11.207) 14.609 2.050 ( 11.393 7.406 -1.486) 13.670 2.222 ( 12.045 1.626 -6.580) 13.821 2.278 ( 8.035 0.847 -6.785) 10.550 2.307 ( 9.133 2.149 1.232) 9.463 2.527 ( 14.771 -1.054 -4.125) 15.372 2.585 ( 7.225 0.632 9.039) 11.590 2.820 ( 3.280 0.952 -10.676) 11.209 2.929 ( 9.270 -0.660 2.525) 9.630 3.056 ( 4.921 -2.734 1.936) 5.953 3.090 ( 1.132 -2.885 -4.817) 5.728 3.175 ( 3.405 6.948 6.087) 9.845 3.274 ( 4.430 2.346 0.528) 5.041 3.558 ( 0.649 -1.151 1.281) 1.840 3.669 ( 5.854 -6.039 -3.635) 9.162 3.896 ( -1.280 5.709 5.228) 7.846 4.070 ( 0.981 1.979 13.449) 13.630 4.148 ( 5.671 -2.505 7.020) 9.366 4.161 ( -1.375 -3.662 -3.600) 5.316 4.298 ( -3.835 2.224 6.050) 7.500 4.382 ( 2.471 1.218 -0.599) 2.820 4.421 ( -5.215 1.962 3.173) 6.412 4.521 ( -1.438 0.315 -6.075) 6.251 4.645 ( -1.479 -0.635 -4.977) 5.230 4.756 ( -5.986 -0.008 0.515) 6.008 4.855 ( 4.924 6.492 5.435) 9.794 5.113 ( -7.956 0.799 4.344) 9.100 5.200 ( 4.432 -0.214 -3.567) 5.693 5.297 ( -8.311 9.064 7.932) 14.633 5.401 ( -4.213 -3.501 -4.512) 7.097 5.485 ( 2.252 -0.220 5.659) 6.095 5.560 ( 4.180 7.368 3.260) 9.076 5.773 ( 2.248 -0.633 -2.453) 3.387 5.850 ( 7.119 1.960 -3.582) 8.207 6.064 ( -1.572 8.766 -5.309) 10.368 6.068 ( 0.058 -0.142 -6.058) 6.060 6.212 ( 4.364 2.452 -2.015) 5.396 6.529 ( -0.996 -1.209 -3.051) 3.430 6.577 ( 3.784 -1.887 2.842) 5.095 6.669 ( 1.011 1.967 4.893) 5.370 6.760 ( -1.622 2.366 -2.923) 4.095 6.961 ( -5.148 3.153 2.004) 6.361 7.059 ( -8.430 5.774 -0.296) 10.222 7.197 ( 2.214 2.049 -1.009) 3.180 7.283 ( -2.678 -3.535 7.352) 8.586 7.400 ( -4.350 4.881 5.225) 8.370 7.543 ( 2.369 -2.487 -6.134) 7.030 7.744 ( -5.230 -1.785 3.823) 6.720 7.778 ( -3.228 -5.631 1.183) 6.598 7.898 ( 2.719 2.483 -4.556) 5.858 7.970 ( 2.565 -2.752 -3.496) 5.136 8.266 ( -5.702 -2.947 -4.269) 7.709 8.394 ( -13.451 -6.963 -5.429) 16.090 8.542 ( 0.896 0.956 2.144) 2.513 8.700 ( -0.968 -4.679 3.765) 6.083 9.082 ( -6.552 -7.018 -4.866) 10.763 9.173 ( -5.455 -14.201 -2.799) 15.468 9.349 ( -0.206 0.487 4.458) 4.490 9.504 ( -4.606 -6.219 12.158) 14.412 9.602 ( 2.065 1.205 -2.292) 3.312 9.669 ( 7.514 -2.431 -0.403) 7.908 9.878 ( 0.767 1.675 -4.675) 5.025 9.951 ( 4.655 -2.585 -3.089) 6.156 10.457 ( -6.049 2.251 -0.679) 6.490 10.471 ( -4.893 2.208 2.242) 5.818 10.612 ( -9.968 -4.832 -4.619) 12.002 10.658 ( -4.559 -5.850 0.652) 7.445 11.286 ( -3.835 -0.209 0.318) 3.854 11.347 ( -4.130 -3.238 -3.719) 6.432 11.448 ( 3.437 2.925 0.960) 4.615 11.594 ( 5.931 -2.676 -1.319) 6.639 11.882 ( -0.556 -0.641 3.704) 3.800 11.956 ( -0.808 -1.811 -5.579) 5.921 12.312 ( -3.574 3.960 -2.148) 5.751 12.428 ( -0.050 -2.661 1.006) 2.845 12.677 ( -5.748 2.571 2.431) 6.750 12.796 ( -3.503 -2.688 2.725) 5.189 13.007 ( 1.225 -2.240 -4.437) 5.119 13.038 ( -1.974 -2.380 2.786) 4.162 13.592 ( 9.896 0.598 0.698) 9.939 13.610 ( 17.813 0.865 -0.231) 17.836 13.658 ( 8.794 4.290 -0.107) 9.785 13.832 ( 11.369 -2.617 0.455) 11.675 14.306 ( 0.814 2.163 0.248) 2.324 14.363 ( 3.898 0.412 -1.614) 4.239 14.479 ( 1.671 -3.628 -0.858) 4.086 14.639 ( 10.161 -9.525 0.332) 13.931 15.444 ( -2.083 2.276 1.602) 3.476 15.479 ( -0.647 0.750 -0.494) 1.107 15.587 ( -1.709 3.619 0.459) 4.028 15.654 ( -0.332 0.944 -2.305) 2.513 16.049 ( 1.625 5.822 2.618) 6.587 16.137 ( 6.366 2.588 -1.427) 7.019 16.242 ( -3.450 4.785 2.235) 6.309 16.404 ( 2.663 -0.852 -1.417) 3.135 16.960 ( -3.910 2.307 -1.831) 4.895 17.031 ( -2.247 -1.363 0.102) 2.630 17.359 ( 2.799 6.229 2.678) 7.335 17.491 ( 8.700 0.581 -2.042) 8.955 20.475 ( -5.691 4.592 -0.413) 7.325 20.543 ( -1.792 4.983 -0.503) 5.319 20.692 ( -8.555 -4.136 2.421) 9.805 20.758 ( -5.540 -4.056 -2.540) 7.321 25.361 ( -1.212 -0.615 -1.201) 1.813 25.367 ( -0.961 -0.799 0.943) 1.566 25.467 ( -0.147 0.983 -0.038) 0.995 25.476 ( 0.665 0.395 -0.668) 1.022 26.297 ( -2.806 6.234 -1.187) 6.938 26.357 ( 1.006 4.850 2.671) 5.628 26.673 ( -12.063 3.054 -4.961) 13.396 26.798 ( -5.532 -0.593 2.424) 6.069 27.051 ( 7.780 0.061 3.705) 8.617 27.087 ( 9.584 -1.047 5.492) 11.096 27.236 ( -2.307 5.685 2.275) 6.543 27.384 ( 4.212 -0.837 0.784) 4.365 27.835 ( -0.135 0.614 0.821) 1.034 27.883 ( 1.549 -0.902 -0.821) 1.971 27.993 ( 3.114 1.879 -2.423) 4.370 28.074 ( 5.612 -1.568 -1.099) 5.930 28.626 ( 0.269 7.864 -6.335) 10.102 28.711 ( 5.236 11.834 2.434) 13.168 28.923 ( -1.323 -5.250 5.306) 7.581 29.212 ( 7.234 -7.363 -5.202) 11.559 29.496 ( -2.247 1.910 -0.173) 2.954 29.566 ( -0.057 0.939 -1.624) 1.877 29.594 ( 0.053 -0.615 0.125) 0.630 29.669 ( 4.890 -0.763 0.690) 4.997 31.204 ( 0.129 -5.771 6.365) 8.593 31.215 ( -3.425 -4.941 -6.502) 8.856 31.894 ( -15.921 -4.057 6.661) 17.728 32.189 ( -3.753 -15.269 -4.689) 16.408 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.33 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 5.591 2.863 -1.783) 6.530 2.027 ( 2.889 -3.017 6.292) 7.552 2.152 ( 2.291 -3.430 7.438) 8.505 2.298 ( 4.555 -1.858 -2.894) 5.708 2.431 ( 5.635 -0.304 0.730) 5.690 2.489 ( 7.763 1.312 -11.970) 14.327 2.640 ( 2.544 6.261 -0.421) 6.771 2.831 ( 14.197 3.915 -6.850) 16.242 2.996 ( 5.520 -3.655 1.663) 6.826 3.065 ( 14.329 -2.249 0.326) 14.508 3.177 ( 15.203 1.336 4.066) 15.794 3.298 ( 7.778 0.231 1.903) 8.011 3.339 ( 14.763 3.815 2.268) 15.416 3.357 ( 3.529 4.852 0.104) 6.000 3.578 ( 3.117 2.825 -4.381) 6.074 3.794 ( 7.073 -4.221 0.998) 8.297 3.901 ( -0.908 4.895 4.647) 6.810 4.032 ( -7.404 3.155 -4.350) 9.149 4.125 ( -2.772 -2.929 2.635) 4.817 4.208 ( -3.246 -1.133 -3.189) 4.689 4.302 ( 0.453 -0.410 4.645) 4.685 4.374 ( -0.232 3.925 0.298) 3.943 4.477 ( 2.918 1.350 4.868) 5.834 4.577 ( 7.580 -3.077 3.692) 8.975 4.683 ( 6.643 -0.877 -4.312) 7.968 4.712 ( 0.466 -1.477 8.164) 8.309 4.894 ( -3.713 4.521 1.500) 6.039 5.011 ( 0.515 4.342 0.259) 4.380 5.134 ( -12.211 8.781 8.116) 17.091 5.266 ( -2.771 -3.512 -2.666) 5.208 5.323 ( 4.388 0.431 2.513) 5.075 5.527 ( -0.870 0.020 -1.082) 1.389 5.716 ( 6.134 3.038 -2.393) 7.251 5.838 ( 5.844 1.819 0.880) 6.183 5.912 ( 2.108 0.772 0.764) 2.371 6.000 ( -2.172 4.916 -5.318) 7.561 6.087 ( 6.913 2.554 -0.604) 7.395 6.246 ( -2.611 -4.810 2.125) 5.871 6.422 ( -3.708 -0.823 1.597) 4.121 6.582 ( -2.844 -0.450 1.768) 3.379 6.719 ( -5.322 1.737 -0.506) 5.621 6.781 ( -14.001 1.555 -1.237) 14.141 6.838 ( 6.872 5.002 -3.688) 9.265 6.976 ( 6.816 -0.724 -2.349) 7.246 7.154 ( -12.356 -2.456 5.844) 13.887 7.174 ( -4.783 0.648 -3.934) 6.226 7.394 ( -2.961 2.706 9.266) 10.097 7.565 ( 2.351 -0.842 -1.413) 2.869 7.665 ( -7.161 -3.104 5.387) 9.483 7.750 ( 0.530 -3.266 -1.934) 3.833 7.903 ( -1.588 -0.377 -6.270) 6.479 7.939 ( -1.124 1.397 -3.135) 3.611 8.075 ( -9.589 -6.870 -5.667) 13.087 8.131 ( -5.508 -5.135 -5.305) 9.212 8.553 ( -2.651 3.359 1.195) 4.443 8.701 ( -1.703 -3.892 3.114) 5.268 8.937 ( -5.350 -6.054 -1.501) 8.217 9.032 ( -4.930 -10.385 -5.942) 12.941 9.350 ( -0.696 2.440 0.126) 2.540 9.498 ( -3.899 -3.072 8.680) 9.999 9.709 ( 7.267 2.955 3.877) 8.751 9.809 ( 6.040 -1.332 -0.783) 6.234 9.889 ( 1.803 1.595 3.287) 4.074 9.998 ( 2.270 -4.241 -3.365) 5.871 10.264 ( -7.634 -0.566 -3.971) 8.624 10.343 ( -9.890 -2.274 -5.242) 11.422 10.468 ( -3.829 4.012 3.653) 6.641 10.589 ( -4.120 -3.441 1.170) 5.494 11.206 ( -3.956 -2.242 -0.515) 4.576 11.261 ( -2.885 -4.942 -2.874) 6.404 11.522 ( 2.653 4.277 1.070) 5.145 11.665 ( 4.175 -0.251 -2.600) 4.925 11.847 ( -1.924 -0.559 -4.283) 4.729 11.991 ( 3.517 -5.425 2.642) 6.984 12.246 ( -1.527 4.832 -1.889) 5.408 12.417 ( -1.927 -4.011 0.735) 4.510 12.589 ( -4.585 0.465 2.629) 5.306 12.740 ( -3.035 -5.523 -0.585) 6.330 13.012 ( 0.794 -1.245 -0.993) 1.779 13.028 ( -1.193 -2.001 3.931) 4.570 13.742 ( 4.741 6.485 -0.246) 8.037 13.832 ( 6.820 3.959 3.747) 8.731 13.997 ( 11.948 -3.677 -0.191) 12.502 14.028 ( 18.510 -2.414 -0.859) 18.687 14.335 ( -0.170 0.747 2.999) 3.095 14.417 ( 7.434 -2.438 -2.058) 8.090 14.593 ( 8.227 0.137 0.630) 8.253 14.834 ( 9.858 -12.290 -1.175) 15.799 15.426 ( -1.478 1.656 1.961) 2.962 15.456 ( -0.723 0.560 -1.059) 1.399 15.552 ( -1.624 2.524 -1.123) 3.205 15.601 ( -3.019 -0.066 -2.631) 4.005 16.088 ( 0.205 6.756 2.412) 7.177 16.207 ( -2.643 9.282 2.321) 9.926 16.248 ( 5.591 0.192 -2.395) 6.085 16.398 ( -0.340 1.985 -4.243) 4.697 16.880 ( -3.088 0.788 -1.168) 3.394 16.965 ( -4.395 -2.777 1.450) 5.397 17.487 ( 8.545 7.128 2.451) 11.395 17.677 ( 11.947 -0.550 -1.723) 12.083 20.337 ( -8.206 3.210 -0.636) 8.834 20.453 ( -9.970 1.699 0.902) 10.153 20.556 ( -3.931 -2.184 -0.254) 4.504 20.631 ( -5.730 -2.168 -1.093) 6.224 25.332 ( -0.937 -1.066 -0.729) 1.595 25.346 ( -1.673 -1.699 0.720) 2.491 25.458 ( -0.470 0.841 -0.289) 1.007 25.486 ( 0.519 -0.431 -0.665) 0.947 26.238 ( -1.751 5.362 -1.294) 5.787 26.365 ( -3.548 -1.060 -0.914) 3.814 26.500 ( -2.855 11.126 1.206) 11.550 26.724 ( -4.488 0.439 1.468) 4.742 27.218 ( 5.411 1.761 5.567) 7.961 27.241 ( 1.245 3.434 7.769) 8.585 27.308 ( 6.028 0.267 8.131) 10.125 27.480 ( 4.279 -3.044 3.010) 6.052 27.858 ( 2.471 1.910 -0.016) 3.123 27.910 ( 1.709 -0.575 -0.797) 1.971 28.034 ( 3.294 3.154 -3.726) 5.889 28.139 ( 2.585 -0.957 -2.196) 3.524 28.620 ( 4.630 7.154 -6.816) 10.913 28.775 ( 2.976 9.434 -2.173) 10.128 29.001 ( 3.688 -4.607 4.140) 7.209 29.241 ( -0.850 -2.834 -3.167) 4.334 29.463 ( -1.204 2.878 -0.880) 3.241 29.539 ( -0.364 1.445 -3.644) 3.937 29.615 ( 2.119 -4.164 0.660) 4.719 29.756 ( 4.005 -3.443 -0.877) 5.354 31.097 ( -2.778 -2.828 -6.367) 7.501 31.216 ( -3.967 -7.575 2.279) 8.849 31.657 ( -12.686 -0.981 7.284) 14.662 32.027 ( -8.696 -15.445 -5.195) 18.470 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.33 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 8.155 5.956 4.297) 10.975 2.054 ( -1.606 1.842 2.324) 3.373 2.219 ( -3.632 -1.871 9.083) 9.960 2.335 ( 0.869 0.836 -4.392) 4.555 2.478 ( 1.903 1.926 0.695) 2.796 2.510 ( 4.594 -0.774 -7.296) 8.657 2.751 ( 5.913 0.958 2.853) 6.635 2.884 ( 0.894 -0.318 -3.397) 3.527 3.133 ( -0.314 1.949 4.642) 5.044 3.254 ( 6.516 5.980 3.222) 9.412 3.308 ( -1.086 2.069 -6.731) 7.125 3.420 ( 2.082 2.406 2.930) 4.325 3.456 ( 7.629 0.685 -3.876) 8.585 3.553 ( 1.659 -2.995 -0.436) 3.452 3.690 ( 8.993 7.572 0.889) 11.790 3.851 ( -3.200 3.835 5.860) 7.700 3.877 ( 0.626 3.245 -0.432) 3.333 4.028 ( 8.281 -6.455 -2.494) 10.792 4.120 ( 1.057 -0.527 2.493) 2.759 4.175 ( 2.075 -0.185 1.718) 2.701 4.309 ( -1.229 2.217 -2.622) 3.647 4.362 ( 4.197 -0.911 -2.813) 5.134 4.484 ( -11.763 -5.212 -0.816) 12.892 4.508 ( -5.911 -0.093 -1.634) 6.133 4.779 ( -2.577 2.893 12.374) 12.966 4.863 ( -1.331 -1.121 -0.105) 1.743 4.880 ( 1.203 5.132 7.823) 9.433 5.003 ( 0.710 6.184 -0.763) 6.272 5.106 ( 5.985 -2.651 0.362) 6.555 5.339 ( 10.606 -0.221 7.335) 12.897 5.385 ( -2.646 -2.304 -10.464) 11.036 5.547 ( 8.714 -0.146 5.027) 10.061 5.754 ( -4.231 2.244 -1.428) 4.998 5.807 ( -9.645 8.212 -2.081) 12.838 5.921 ( 8.966 1.297 -2.005) 9.279 6.047 ( 10.154 -3.348 -0.216) 10.694 6.169 ( 2.340 0.448 3.583) 4.303 6.295 ( -6.222 2.880 0.565) 6.880 6.401 ( -8.203 -8.996 2.868) 12.508 6.456 ( -11.180 -1.100 -3.751) 11.844 6.527 ( -0.820 -3.007 0.955) 3.260 6.543 ( -3.224 2.825 -2.645) 5.037 6.922 ( 2.135 6.526 -0.402) 6.878 7.018 ( -5.561 0.453 3.317) 6.491 7.092 ( 0.302 -0.490 -0.994) 1.149 7.114 ( 3.543 -2.397 0.485) 4.305 7.381 ( -4.067 2.073 6.604) 8.028 7.505 ( -5.222 -2.455 -0.062) 5.771 7.658 ( 4.643 -1.082 -1.221) 4.921 7.743 ( -0.034 -0.484 -0.968) 1.083 7.817 ( -2.284 -2.605 -2.219) 4.114 7.916 ( -0.313 1.335 -6.564) 6.706 7.947 ( -2.314 -5.629 -0.525) 6.109 8.022 ( -1.134 -3.854 -5.128) 6.515 8.494 ( -3.352 3.690 1.722) 5.274 8.638 ( -4.982 -2.387 -3.616) 6.602 8.892 ( -0.362 -6.163 1.603) 6.379 8.941 ( -1.293 -8.949 -1.272) 9.131 9.384 ( 4.215 2.823 -0.653) 5.115 9.471 ( -2.669 -0.579 0.940) 2.888 9.836 ( 1.361 5.200 1.505) 5.582 9.862 ( 2.198 1.394 0.064) 2.604 9.969 ( 2.235 0.093 -0.281) 2.254 9.988 ( -0.921 -5.433 3.817) 6.703 10.190 ( 1.393 -0.937 0.647) 1.800 10.212 ( -0.354 -1.360 -2.834) 3.163 10.408 ( -5.145 4.293 3.255) 7.450 10.516 ( -3.362 -1.838 -2.602) 4.632 11.153 ( -1.411 -3.891 0.229) 4.146 11.207 ( -0.519 -6.782 -2.316) 7.185 11.553 ( 1.270 3.118 -0.605) 3.421 11.665 ( -2.102 -1.653 -4.752) 5.453 11.859 ( 5.605 4.074 -0.205) 6.932 12.009 ( -2.592 -1.292 -1.514) 3.268 12.260 ( 3.511 1.558 0.631) 3.892 12.357 ( -4.554 -2.644 0.244) 5.271 12.581 ( 0.982 -3.547 2.911) 4.692 12.684 ( -1.632 -6.148 -2.312) 6.768 13.026 ( -0.123 -1.973 1.810) 2.680 13.041 ( 0.790 -2.010 1.047) 2.400 13.796 ( 1.750 3.990 1.471) 4.599 13.870 ( -2.381 1.030 0.215) 2.603 14.154 ( 5.283 -0.890 0.420) 5.374 14.234 ( 3.037 -4.264 -4.006) 6.592 14.443 ( 6.169 3.882 6.978) 10.091 14.570 ( 7.343 0.125 -0.326) 7.351 14.745 ( 7.659 -1.314 1.223) 7.867 14.932 ( 1.686 -10.944 -3.556) 11.630 15.392 ( -3.212 1.951 3.601) 5.205 15.455 ( -0.515 0.250 1.186) 1.317 15.507 ( -2.050 0.095 -3.724) 4.252 15.546 ( 0.635 0.009 -2.736) 2.808 16.113 ( 1.302 7.063 2.053) 7.470 16.153 ( -5.016 9.893 3.302) 11.573 16.269 ( -0.174 -0.600 -2.937) 3.003 16.359 ( -0.235 2.015 -6.183) 6.508 16.842 ( -1.475 0.466 3.658) 3.971 16.925 ( -0.400 -2.305 -0.593) 2.413 17.675 ( 8.058 6.691 3.254) 10.967 17.831 ( 4.500 0.351 -2.855) 5.341 20.215 ( -2.906 0.379 -0.448) 2.965 20.269 ( -7.914 -1.381 -0.058) 8.034 20.529 ( 0.329 -0.153 -0.490) 0.610 20.549 ( -2.457 -0.601 -0.545) 2.587 25.321 ( 0.203 -1.642 -0.276) 1.677 25.325 ( -0.918 -1.804 0.408) 2.065 25.453 ( 0.157 -0.127 -0.103) 0.226 25.478 ( -0.640 -1.442 -0.924) 1.828 26.214 ( -0.931 4.999 0.660) 5.128 26.276 ( -2.238 2.254 -2.994) 4.365 26.530 ( 2.175 8.167 3.484) 9.142 26.652 ( -3.607 2.868 -0.415) 4.627 27.302 ( 0.854 4.969 7.277) 8.853 27.347 ( 2.755 0.894 4.070) 4.996 27.454 ( 2.472 -1.128 9.728) 10.101 27.562 ( 1.972 -2.881 2.616) 4.363 27.909 ( 1.391 2.098 0.328) 2.538 27.932 ( 1.904 0.434 -0.684) 2.069 28.049 ( 1.792 3.257 -4.211) 5.617 28.137 ( -0.309 -0.440 -4.197) 4.231 28.693 ( 6.066 7.712 -2.898) 10.231 28.794 ( -0.050 9.491 -3.415) 10.087 29.057 ( -0.804 -4.899 3.751) 6.222 29.170 ( -2.546 -1.262 -3.296) 4.353 29.424 ( -3.314 5.720 2.322) 7.007 29.517 ( 1.961 -1.441 -6.202) 6.663 29.672 ( 1.935 -6.520 2.955) 7.416 29.787 ( 0.782 -5.631 -2.776) 6.327 31.015 ( -7.646 -1.500 4.016) 8.766 31.119 ( 0.407 -2.827 -7.621) 8.139 31.596 ( -0.564 -5.695 7.264) 9.247 31.843 ( -5.515 -13.011 -6.323) 15.481 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -6.164 7.151 -2.878) 9.869 2.041 ( 3.180 4.462 4.193) 6.899 2.182 ( -5.159 5.542 7.903) 10.945 2.323 ( 1.784 0.750 -1.461) 2.425 2.418 ( -8.394 3.191 -1.420) 9.092 2.562 ( 3.078 -0.083 -4.888) 5.777 2.805 ( -5.102 -1.913 1.189) 5.577 2.855 ( -0.557 0.218 -2.418) 2.491 3.042 ( -10.671 1.895 9.759) 14.584 3.277 ( -2.338 -4.505 -0.123) 5.077 3.327 ( -2.646 5.526 3.662) 7.138 3.367 ( -6.382 3.021 -4.972) 8.636 3.500 ( 2.937 -0.723 -3.307) 4.482 3.549 ( 2.104 3.292 -2.288) 4.528 3.744 ( -6.284 4.997 -1.848) 8.239 3.834 ( -0.556 1.648 0.004) 1.740 3.939 ( -1.879 -0.041 3.204) 3.715 3.989 ( -3.654 -3.389 -2.959) 5.795 4.085 ( -9.742 8.550 6.597) 14.544 4.173 ( -8.120 -3.755 1.936) 9.153 4.303 ( -2.337 -1.119 0.048) 2.591 4.362 ( 2.310 -1.616 -3.130) 4.213 4.438 ( 1.725 2.684 3.996) 5.113 4.478 ( 12.550 -4.915 -0.351) 13.483 4.736 ( -9.938 3.160 8.556) 13.489 4.813 ( -2.615 -2.426 7.718) 8.502 4.912 ( -2.941 7.187 3.736) 8.617 5.076 ( -0.637 1.510 -0.225) 1.654 5.144 ( -3.895 -3.879 6.487) 8.503 5.262 ( 5.331 -6.420 -12.903) 15.366 5.483 ( -8.247 5.027 -0.399) 9.666 5.585 ( 2.183 -1.376 1.257) 2.870 5.696 ( 2.994 5.209 -1.965) 6.321 5.837 ( 5.853 1.443 -3.601) 7.022 5.994 ( -7.487 2.502 -7.679) 11.013 6.087 ( -11.091 -0.373 -1.798) 11.242 6.212 ( 10.042 2.783 4.634) 11.405 6.249 ( 8.098 -2.761 -0.110) 8.557 6.337 ( 4.575 0.782 2.108) 5.097 6.385 ( 9.780 -7.434 4.281) 13.010 6.493 ( -2.147 2.300 0.353) 3.166 6.624 ( 2.741 -0.682 -2.182) 3.569 6.856 ( -9.932 4.361 1.666) 10.975 6.997 ( -1.773 -0.857 3.111) 3.682 7.118 ( -1.825 -1.807 0.631) 2.645 7.140 ( 3.453 -2.201 1.421) 4.334 7.360 ( 4.235 3.147 5.332) 7.501 7.575 ( 9.935 -6.501 -4.483) 12.691 7.692 ( -2.434 -2.131 0.344) 3.253 7.734 ( -1.515 -3.632 -3.234) 5.094 7.778 ( 0.651 3.879 0.656) 3.987 7.865 ( 2.876 0.714 -5.802) 6.516 7.977 ( 3.882 -3.841 0.401) 5.475 8.006 ( 2.664 -5.157 -5.073) 7.709 8.509 ( 2.483 2.841 6.563) 7.570 8.544 ( -1.160 1.349 -2.490) 3.061 8.886 ( -1.643 -6.550 1.496) 6.916 8.944 ( 1.193 -9.684 -0.672) 9.780 9.406 ( -1.149 2.441 -2.838) 3.916 9.512 ( 8.806 0.706 -1.895) 9.035 9.831 ( -2.152 5.835 1.694) 6.446 9.846 ( -2.358 3.507 0.401) 4.245 9.951 ( -4.188 -2.818 0.932) 5.133 10.060 ( 6.275 -5.701 -0.062) 8.478 10.197 ( -2.398 2.427 -2.323) 4.128 10.251 ( 2.426 -0.633 -3.732) 4.496 10.392 ( 0.740 1.475 6.675) 6.876 10.466 ( 2.473 -0.798 -1.072) 2.810 11.156 ( 0.988 -4.449 0.916) 4.649 11.214 ( 3.391 -7.012 -3.708) 8.627 11.572 ( -1.547 -0.239 -1.058) 1.890 11.591 ( 0.563 -0.122 -0.021) 0.577 11.900 ( -5.000 4.102 -3.006) 7.132 11.989 ( 6.204 3.565 -0.377) 7.165 12.270 ( -3.933 -0.598 0.216) 3.984 12.353 ( 4.578 -2.067 0.698) 5.072 12.606 ( -0.687 -3.982 0.782) 4.115 12.686 ( 4.539 -5.579 -2.811) 7.723 13.020 ( -1.719 -0.516 1.691) 2.466 13.074 ( 2.358 -3.675 -0.984) 4.476 13.802 ( -3.482 2.052 0.842) 4.128 13.858 ( 2.514 0.467 1.595) 3.014 14.162 ( -5.906 -1.122 1.108) 6.113 14.191 ( -4.188 -2.148 -1.781) 5.033 14.511 ( -3.594 3.406 4.293) 6.554 14.585 ( -3.776 2.053 -5.527) 7.002 14.835 ( -5.838 -7.317 -4.305) 10.304 14.869 ( 0.802 -5.582 0.527) 5.664 15.390 ( -0.711 1.496 4.175) 4.491 15.442 ( -2.824 -0.989 4.239) 5.188 15.474 ( 2.251 2.239 -2.830) 4.253 15.549 ( 1.916 -0.759 -3.964) 4.467 16.099 ( -2.499 8.594 3.725) 9.695 16.163 ( 0.429 6.311 3.173) 7.077 16.249 ( -0.161 2.569 -1.305) 2.887 16.309 ( 0.476 0.171 -3.241) 3.280 16.859 ( -0.828 0.682 2.761) 2.962 16.936 ( 3.272 -1.619 -2.044) 4.184 17.748 ( -5.759 3.101 0.562) 6.565 17.786 ( -3.641 1.805 -2.334) 4.686 20.210 ( 2.346 0.332 0.029) 2.369 20.263 ( 7.675 -1.248 0.318) 7.782 20.522 ( 0.128 0.397 -0.284) 0.504 20.563 ( 3.718 -1.468 -1.366) 4.225 25.319 ( 0.018 -1.136 -0.008) 1.136 25.335 ( 1.483 -2.027 -0.445) 2.551 25.455 ( -0.411 -0.956 -0.231) 1.066 25.466 ( 0.566 -1.007 -0.072) 1.158 26.200 ( -1.395 4.438 1.876) 5.016 26.264 ( 2.650 2.453 -1.964) 4.110 26.592 ( -1.837 6.014 -1.648) 6.501 26.612 ( 3.954 4.850 2.879) 6.888 27.355 ( 0.070 3.867 3.690) 5.345 27.386 ( 0.052 2.293 0.195) 2.302 27.538 ( -0.175 -1.378 5.505) 5.677 27.588 ( 0.313 -2.022 -0.710) 2.166 27.897 ( -2.246 2.401 1.341) 3.550 27.956 ( 0.346 0.442 -1.947) 2.027 28.051 ( -0.687 1.794 -1.620) 2.513 28.074 ( -1.035 0.881 -4.044) 4.266 28.657 ( -10.425 8.813 0.009) 13.651 28.761 ( -0.568 8.777 -0.736) 8.826 29.046 ( -3.022 -4.456 4.696) 7.144 29.166 ( 4.172 -2.567 -2.984) 5.736 29.393 ( -2.181 4.894 3.627) 6.470 29.514 ( 2.061 -1.367 -4.707) 5.317 29.691 ( -3.460 -7.009 2.903) 8.338 29.760 ( -0.612 -5.989 -2.140) 6.389 30.889 ( -8.217 4.196 8.496) 12.542 31.180 ( 9.653 -6.121 -6.540) 13.169 31.680 ( 2.876 -8.794 4.724) 10.388 31.782 ( 5.597 -10.117 -5.898) 12.980 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -11.569 13.036 -4.173) 17.922 2.081 ( -1.825 4.664 2.272) 5.499 2.168 ( -12.200 4.695 5.987) 14.378 2.207 ( -5.941 5.296 3.820) 8.828 2.365 ( 0.718 -2.232 1.375) 2.718 2.493 ( -4.466 -2.240 -7.055) 8.645 2.613 ( -12.941 -3.651 -0.752) 13.467 2.782 ( -8.018 1.491 -1.640) 8.319 2.941 ( -6.061 -5.853 7.585) 11.337 3.108 ( -15.140 -3.853 -3.055) 15.919 3.186 ( -12.644 6.142 6.133) 15.337 3.327 ( -2.318 3.112 2.274) 4.498 3.357 ( -15.065 2.342 -4.439) 15.879 3.370 ( -15.288 -0.051 -1.184) 15.333 3.585 ( -3.319 3.260 -2.188) 5.141 3.766 ( -9.333 -2.911 -1.124) 9.841 3.905 ( 4.052 2.069 4.778) 6.598 4.022 ( 5.080 -1.794 3.727) 6.551 4.080 ( 1.056 5.182 -0.521) 5.315 4.122 ( -0.586 0.868 2.191) 2.428 4.294 ( 2.794 2.072 3.098) 4.658 4.410 ( 0.500 4.168 2.764) 5.026 4.483 ( -0.576 1.891 -0.092) 1.979 4.597 ( -1.502 -9.727 0.728) 9.870 4.645 ( -5.641 3.179 5.592) 8.556 4.750 ( -8.516 -2.616 -0.015) 8.909 4.841 ( -0.020 6.251 4.813) 7.890 5.117 ( 1.441 -5.327 6.419) 8.465 5.143 ( 0.012 4.850 7.428) 8.871 5.277 ( 5.158 0.460 -16.785) 17.565 5.382 ( -0.301 2.925 -5.586) 6.313 5.590 ( -0.954 -3.445 2.141) 4.167 5.711 ( 0.924 3.343 -5.131) 6.193 5.791 ( 0.393 0.777 4.878) 4.955 5.900 ( -5.303 0.725 -2.510) 5.912 6.016 ( -3.685 7.850 -4.136) 9.608 6.154 ( -1.799 2.062 -5.240) 5.911 6.321 ( 2.914 -2.827 -4.189) 5.834 6.516 ( -3.964 -0.586 0.157) 4.011 6.577 ( 6.377 -8.394 -0.687) 10.564 6.648 ( 6.214 7.346 4.985) 10.836 6.666 ( 9.886 4.357 4.256) 11.612 6.745 ( -0.247 -0.467 4.731) 4.760 6.897 ( -2.965 -3.186 4.455) 6.228 7.154 ( 2.723 2.615 -1.675) 4.130 7.217 ( 4.066 -1.332 0.385) 4.296 7.547 ( 3.319 0.323 -4.335) 5.469 7.655 ( 6.955 -4.752 6.194) 10.456 7.675 ( -1.258 -5.119 -3.961) 6.594 7.711 ( 3.345 1.993 -3.962) 5.555 7.781 ( 0.957 -0.707 5.255) 5.388 7.905 ( 2.642 0.199 -2.515) 3.653 8.027 ( 2.548 -6.269 -1.919) 7.034 8.113 ( 11.604 -7.177 -2.352) 13.846 8.554 ( 1.317 3.588 0.744) 3.894 8.657 ( 5.579 -0.665 7.775) 9.593 8.887 ( 1.927 -5.490 1.499) 6.008 8.957 ( 0.662 -10.044 0.402) 10.073 9.387 ( 2.410 3.740 -3.269) 5.521 9.666 ( 6.385 -3.672 -3.576) 8.188 9.770 ( -5.845 0.993 1.036) 6.018 9.823 ( 2.088 6.765 -4.568) 8.425 9.879 ( -4.241 1.324 2.542) 5.119 10.095 ( -1.348 -0.693 -8.338) 8.475 10.208 ( 5.606 -4.323 4.980) 8.656 10.220 ( 2.296 -0.379 -3.347) 4.076 10.498 ( 5.500 2.081 3.528) 6.858 10.582 ( 6.792 -2.102 2.004) 7.387 11.195 ( 2.537 -3.315 1.105) 4.318 11.258 ( 4.377 -5.560 -5.070) 8.705 11.543 ( 0.701 0.997 -0.430) 1.292 11.629 ( -0.648 -1.796 2.176) 2.895 11.806 ( -1.042 4.984 -1.974) 5.461 12.056 ( 0.708 -3.876 -2.944) 4.918 12.239 ( 1.959 5.242 -0.198) 5.600 12.431 ( 3.517 -4.029 -0.355) 5.360 12.616 ( 2.492 -0.712 -0.494) 2.638 12.761 ( 5.089 -5.367 -2.725) 7.882 12.995 ( -2.053 2.007 1.170) 3.100 13.104 ( 2.120 -4.059 -2.482) 5.209 13.732 ( -5.310 3.791 0.478) 6.542 13.892 ( -2.159 2.254 0.043) 3.121 13.963 ( -15.133 -2.510 2.267) 15.507 14.043 ( -11.671 -5.599 -2.697) 13.223 14.388 ( -10.659 1.119 -0.837) 10.750 14.419 ( -6.235 0.902 -2.878) 6.927 14.653 ( -7.827 -2.071 -5.074) 9.555 14.817 ( -7.012 -8.573 0.476) 11.085 15.405 ( -0.397 0.885 3.026) 3.177 15.424 ( -1.524 0.096 2.884) 3.263 15.535 ( 4.354 2.142 0.205) 4.856 15.567 ( 2.017 0.348 -0.568) 2.124 16.113 ( 0.911 7.308 2.211) 7.689 16.159 ( -3.421 4.246 4.628) 7.151 16.219 ( -2.640 5.303 -1.131) 6.030 16.343 ( 2.503 1.377 0.799) 2.966 16.855 ( 0.137 2.100 0.835) 2.264 17.005 ( 4.728 -2.694 -1.553) 5.659 17.560 ( -9.087 2.562 -3.581) 10.097 17.651 ( -11.017 -0.666 0.523) 11.049 20.331 ( 9.282 3.556 -0.093) 9.941 20.460 ( 11.470 0.304 0.500) 11.485 20.541 ( 2.192 0.320 0.070) 2.217 20.647 ( 6.697 -3.720 -1.864) 7.884 25.325 ( 0.686 -0.084 -0.054) 0.693 25.364 ( 2.081 -2.036 -0.859) 3.035 25.455 ( 0.576 0.028 -0.080) 0.582 25.473 ( -0.275 -0.264 0.388) 0.544 26.201 ( -0.142 3.563 2.313) 4.250 26.327 ( 4.352 -2.034 0.641) 4.847 26.569 ( 1.838 10.248 -3.109) 10.866 26.716 ( 5.168 1.863 1.916) 5.818 27.330 ( -2.916 3.765 -3.363) 5.830 27.377 ( -0.306 3.381 -2.053) 3.968 27.470 ( -6.833 0.833 -6.877) 9.730 27.566 ( -2.259 -1.792 -4.331) 5.203 27.871 ( -2.124 1.723 1.723) 3.233 27.907 ( -2.402 -0.038 -1.032) 2.615 27.984 ( -2.582 2.775 -1.836) 4.211 28.079 ( -0.975 -0.747 2.422) 2.716 28.468 ( -9.614 9.090 6.057) 14.551 28.727 ( -2.187 7.188 1.963) 7.766 28.998 ( -6.757 -5.958 4.832) 10.223 29.208 ( 0.721 -5.064 -1.617) 5.364 29.403 ( 0.690 3.696 2.876) 4.733 29.526 ( 1.151 -0.341 -0.346) 1.249 29.619 ( -3.386 -3.749 -0.256) 5.058 29.731 ( -2.931 -4.409 1.208) 5.431 30.874 ( -1.525 6.835 11.543) 13.501 31.310 ( 7.356 -10.320 -4.566) 13.471 31.791 ( 9.884 -6.118 -1.842) 11.769 31.933 ( 10.317 -12.457 0.537) 16.183 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.33 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -4.788 9.547 4.758) 11.692 1.844 ( -22.178 6.607 10.662) 25.479 1.976 ( -9.325 -1.496 -1.782) 9.611 2.148 ( -5.907 10.864 1.502) 12.457 2.305 ( -5.307 -7.584 -4.576) 10.326 2.390 ( -7.328 -3.017 -3.449) 8.642 2.438 ( -3.950 0.313 3.731) 5.443 2.639 ( -3.190 0.811 2.593) 4.191 2.753 ( -13.552 -3.364 -4.453) 14.656 2.970 ( 0.533 -4.061 4.278) 5.923 3.004 ( -9.845 5.776 -0.699) 11.435 3.017 ( -8.746 2.594 4.727) 10.274 3.256 ( -6.736 2.098 0.209) 7.058 3.290 ( -2.046 1.929 -0.741) 2.908 3.507 ( -4.506 1.712 3.276) 5.828 3.625 ( -0.699 -6.273 -2.994) 6.986 3.961 ( -4.170 4.981 10.782) 12.587 4.054 ( -0.383 2.499 -7.440) 7.857 4.143 ( -4.663 -4.839 3.041) 7.376 4.179 ( 2.477 4.453 8.389) 9.816 4.317 ( 0.119 -1.194 -1.717) 2.094 4.395 ( -5.697 0.740 4.454) 7.269 4.472 ( -4.141 -2.774 -0.308) 4.994 4.477 ( 3.964 0.435 -2.029) 4.474 4.593 ( 1.833 0.509 -2.983) 3.538 4.768 ( 5.490 -3.656 2.134) 6.932 4.963 ( 3.138 1.935 8.874) 9.610 5.090 ( -5.214 4.703 11.049) 13.091 5.158 ( -3.511 4.147 -14.591) 15.570 5.295 ( 4.543 -3.053 0.588) 5.505 5.417 ( 6.451 7.029 -2.594) 9.886 5.574 ( 0.037 -0.709 -0.265) 0.757 5.651 ( -9.445 9.894 -0.722) 13.697 5.788 ( 2.559 2.203 -7.555) 8.275 5.872 ( -0.265 -2.997 3.185) 4.381 5.931 ( -0.277 7.425 1.889) 7.667 6.068 ( -2.099 0.290 -10.567) 10.778 6.278 ( -2.862 -1.833 -6.128) 7.007 6.466 ( -0.226 0.285 2.327) 2.355 6.596 ( -1.165 -3.479 0.270) 3.679 6.675 ( -2.115 1.638 5.724) 6.318 6.769 ( 4.491 3.732 -2.322) 6.284 6.967 ( 6.240 2.566 3.218) 7.475 6.983 ( 8.854 0.727 2.537) 9.239 7.165 ( -1.313 4.856 1.091) 5.147 7.274 ( -1.792 1.371 7.082) 7.433 7.477 ( -2.488 -0.709 -5.588) 6.158 7.615 ( -0.152 -5.176 -6.317) 8.168 7.763 ( 3.961 0.834 2.080) 4.551 7.805 ( 2.705 -0.053 1.728) 3.210 7.873 ( 2.315 -4.828 -1.203) 5.488 7.913 ( 0.590 0.662 -2.150) 2.325 8.112 ( 6.417 -7.024 6.861) 11.730 8.360 ( 14.660 -8.535 -1.324) 17.016 8.561 ( -0.767 3.120 0.659) 3.280 8.744 ( 0.305 -4.544 0.865) 4.636 8.991 ( 3.507 -7.309 2.386) 8.450 9.022 ( 7.390 -10.846 8.108) 15.427 9.449 ( 4.680 2.058 -0.322) 5.123 9.582 ( -8.495 -0.490 -4.950) 9.844 9.660 ( -6.732 0.524 -0.035) 6.752 9.793 ( -4.696 -6.221 -0.654) 7.822 9.870 ( 5.569 3.387 -11.714) 13.405 10.016 ( -0.411 -0.601 -8.724) 8.754 10.289 ( 4.108 0.072 7.089) 8.194 10.457 ( 13.246 -4.063 6.396) 15.260 10.608 ( 5.176 2.295 -2.581) 6.222 10.704 ( 5.740 -4.158 -0.533) 7.108 11.266 ( 3.752 -1.675 1.113) 4.257 11.299 ( 3.562 -1.825 -1.585) 4.305 11.542 ( -0.890 2.100 -5.347) 5.813 11.594 ( -1.526 -2.317 -1.452) 3.132 11.848 ( 3.092 2.105 2.675) 4.599 12.007 ( -0.003 -4.851 -6.298) 7.950 12.312 ( 5.137 5.146 -1.494) 7.423 12.473 ( 1.507 -4.144 -2.437) 5.038 12.677 ( 2.674 1.259 1.578) 3.351 12.829 ( 3.874 -4.650 -1.040) 6.141 12.961 ( -1.925 3.504 0.370) 4.015 13.116 ( 1.473 -3.710 -3.551) 5.342 13.599 ( -11.562 -0.362 -0.169) 11.569 13.631 ( -14.360 -1.443 -2.649) 14.674 13.710 ( -13.713 3.762 -3.895) 14.743 13.811 ( -11.241 -1.727 1.764) 11.509 14.252 ( -4.621 -0.449 3.480) 5.803 14.370 ( 1.945 -2.116 0.071) 2.875 14.491 ( -6.395 -0.102 -2.463) 6.854 14.665 ( -7.687 -6.272 -1.974) 10.115 15.430 ( 0.938 1.093 2.852) 3.195 15.442 ( 0.729 1.186 2.728) 3.062 15.598 ( 2.355 1.739 -0.390) 2.953 15.611 ( 1.789 1.997 1.306) 2.982 16.082 ( -5.882 4.532 2.624) 7.876 16.118 ( -1.703 5.132 -4.118) 6.797 16.212 ( 1.732 4.855 5.302) 7.395 16.366 ( -1.600 -0.976 2.245) 2.924 16.900 ( 3.235 3.942 2.672) 5.758 17.064 ( 2.649 -2.225 -1.965) 3.978 17.410 ( -5.287 2.624 -1.155) 6.015 17.467 ( -7.042 1.171 -0.554) 7.161 20.484 ( 6.728 5.054 -1.193) 8.499 20.551 ( 1.477 3.829 -1.192) 4.274 20.683 ( 7.831 -2.327 2.527) 8.551 20.765 ( 6.910 -5.187 -2.456) 8.982 25.342 ( 0.913 0.612 0.466) 1.194 25.392 ( 1.427 -1.625 -1.199) 2.473 25.463 ( -0.703 0.800 0.472) 1.165 25.468 ( 0.711 0.467 -0.249) 0.886 26.226 ( 0.499 3.531 3.370) 4.907 26.403 ( 1.982 -3.525 1.322) 4.254 26.639 ( 8.598 10.452 -2.615) 13.784 26.821 ( 4.935 -0.259 0.760) 5.000 27.169 ( -10.486 3.632 -10.129) 15.024 27.259 ( -8.812 0.753 -6.083) 10.734 27.338 ( 0.128 4.402 -6.618) 7.949 27.431 ( -6.550 0.785 -4.760) 8.135 27.843 ( -0.757 1.278 -0.520) 1.574 27.898 ( 0.366 -0.663 0.110) 0.765 27.935 ( -1.769 1.737 1.565) 2.932 28.043 ( -4.467 -2.042 1.412) 5.111 28.442 ( -0.490 8.218 10.407) 13.269 28.731 ( 0.378 8.511 0.797) 8.556 28.904 ( -5.668 -7.962 7.338) 12.221 29.161 ( -3.571 -6.144 -1.512) 7.266 29.457 ( 2.636 2.603 2.618) 4.537 29.547 ( 0.463 -0.474 1.806) 1.924 29.589 ( 0.001 0.100 -0.572) 0.581 29.670 ( -4.106 -1.971 0.761) 4.617 30.979 ( 2.220 4.737 12.746) 13.778 31.360 ( 2.457 -10.242 -5.922) 12.083 31.988 ( 9.330 -7.605 1.829) 12.175 32.110 ( 8.164 -13.699 -1.085) 15.984 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -1.208 -3.686 -0.069) 3.879 1.689 ( -1.208 3.686 -0.069) 3.879 2.090 ( 3.672 -11.470 4.625) 12.901 2.090 ( 3.672 11.470 4.625) 12.901 2.231 ( 3.410 -3.277 -3.355) 5.798 2.231 ( 3.410 3.277 -3.355) 5.798 2.389 ( -3.378 -3.508 -4.591) 6.692 2.389 ( -3.378 3.508 -4.591) 6.692 2.865 ( 1.358 -7.640 5.254) 9.371 2.865 ( 1.358 7.640 5.254) 9.371 2.980 ( 0.797 -5.058 -2.963) 5.916 2.980 ( 0.797 5.058 -2.963) 5.916 3.237 ( -1.681 -1.671 1.323) 2.714 3.237 ( -1.681 1.671 1.323) 2.714 3.537 ( 1.559 -2.389 -1.568) 3.255 3.537 ( 1.559 2.389 -1.568) 3.255 3.958 ( -2.925 -1.833 3.077) 4.624 3.958 ( -2.925 1.833 3.077) 4.624 4.129 ( -2.878 -5.404 1.956) 6.428 4.129 ( -2.878 5.404 1.956) 6.428 4.366 ( -1.856 -3.049 1.634) 3.925 4.366 ( -1.856 3.049 1.634) 3.925 4.476 ( 1.774 -3.593 3.870) 5.571 4.476 ( 1.774 3.593 3.870) 5.571 4.823 ( 8.449 -7.642 5.640) 12.712 4.823 ( 8.449 7.642 5.640) 12.712 4.933 ( -10.500 -1.374 -1.928) 10.763 4.933 ( -10.500 1.374 -1.928) 10.763 5.315 ( 3.399 -2.648 1.808) 4.672 5.315 ( 3.399 2.648 1.808) 4.672 5.515 ( -3.977 -3.848 -9.000) 10.565 5.515 ( -3.977 3.848 -9.000) 10.565 5.675 ( -5.401 -7.153 8.388) 12.275 5.675 ( -5.401 7.153 8.388) 12.275 5.891 ( 4.658 -2.499 -5.891) 7.915 5.891 ( 4.658 2.499 -5.891) 7.915 6.263 ( 4.860 -4.154 0.673) 6.428 6.263 ( 4.860 4.154 0.673) 6.428 6.476 ( -1.405 -0.492 -2.479) 2.891 6.476 ( -1.405 0.492 -2.479) 2.891 6.787 ( -0.934 -4.936 0.874) 5.099 6.787 ( -0.934 4.936 0.874) 5.099 7.108 ( 0.097 -4.725 7.015) 8.458 7.108 ( 0.097 4.725 7.015) 8.458 7.253 ( -2.825 -2.676 2.129) 4.436 7.253 ( -2.825 2.676 2.129) 4.436 7.472 ( 3.043 -3.663 -4.539) 6.579 7.472 ( 3.043 3.663 -4.539) 6.579 7.755 ( -4.982 -1.094 6.396) 8.180 7.755 ( -4.982 1.094 6.396) 8.180 7.930 ( 3.731 -1.976 -8.020) 9.064 7.930 ( 3.731 1.976 -8.020) 9.064 8.357 ( 5.457 -7.781 4.949) 10.715 8.357 ( 5.457 7.781 4.949) 10.715 8.569 ( -3.716 -2.607 -1.787) 4.879 8.569 ( -3.716 2.607 -1.787) 4.879 9.026 ( 3.933 -1.859 3.162) 5.378 9.026 ( 3.933 1.859 3.162) 5.378 9.417 ( -6.928 -1.980 -2.091) 7.503 9.417 ( -6.928 1.980 -2.091) 7.503 9.595 ( 1.037 -3.426 -3.599) 5.076 9.595 ( 1.037 3.426 -3.599) 5.076 9.923 ( 1.232 -1.619 -6.072) 6.403 9.923 ( 1.232 1.619 -6.072) 6.403 10.511 ( 2.280 -6.026 6.940) 9.470 10.511 ( 2.280 6.026 6.940) 9.470 10.670 ( -0.703 -2.954 -6.401) 7.085 10.670 ( -0.703 2.954 -6.401) 7.085 11.348 ( 2.539 -1.866 -1.522) 3.499 11.348 ( 2.539 1.866 -1.522) 3.499 11.485 ( -2.422 -1.362 -1.577) 3.195 11.485 ( -2.422 1.362 -1.577) 3.195 11.941 ( 0.673 -2.958 -2.031) 3.651 11.941 ( 0.673 2.958 -2.031) 3.651 12.405 ( 0.104 -0.730 -2.493) 2.600 12.405 ( 0.104 0.730 -2.493) 2.600 12.795 ( -1.155 -3.866 5.340) 6.693 12.795 ( -1.155 3.866 5.340) 6.693 12.994 ( 0.172 -2.533 -5.264) 5.844 12.994 ( 0.172 2.533 -5.264) 5.844 13.483 ( -0.047 -1.192 -0.337) 1.239 13.483 ( -0.047 1.192 -0.337) 1.239 13.617 ( -0.048 -1.387 0.164) 1.397 13.617 ( -0.048 1.387 0.164) 1.397 14.339 ( 2.819 -5.259 4.427) 7.430 14.339 ( 2.819 5.259 4.427) 7.430 14.446 ( -2.600 -4.729 -4.582) 7.080 14.446 ( -2.600 4.729 -4.582) 7.080 15.486 ( 0.101 -0.462 2.079) 2.132 15.486 ( 0.101 0.462 2.079) 2.132 15.654 ( 0.764 -0.874 -0.260) 1.189 15.654 ( 0.764 0.874 -0.260) 1.189 16.098 ( -1.237 -1.858 1.224) 2.546 16.098 ( -1.237 1.858 1.224) 2.546 16.317 ( 0.382 -1.678 2.013) 2.648 16.317 ( 0.382 1.678 2.013) 2.648 17.034 ( 0.727 -1.993 -0.351) 2.150 17.034 ( 0.727 1.993 -0.351) 2.150 17.412 ( -0.139 -1.386 0.328) 1.431 17.412 ( -0.139 1.386 0.328) 1.431 20.615 ( -0.069 -0.735 -0.256) 0.781 20.615 ( -0.069 0.735 -0.256) 0.781 20.737 ( 0.195 -1.916 -0.779) 2.078 20.737 ( 0.195 1.916 -0.779) 2.078 25.374 ( -0.029 -0.692 -0.267) 0.742 25.374 ( -0.029 0.692 -0.267) 0.742 25.475 ( 0.205 -0.252 -0.112) 0.344 25.475 ( 0.205 0.252 -0.112) 0.344 26.376 ( 1.027 -4.096 4.913) 6.478 26.376 ( 1.027 4.096 4.913) 6.478 26.888 ( 4.046 -1.445 1.906) 4.700 26.888 ( 4.046 1.445 1.906) 4.700 26.967 ( -8.404 -3.108 -9.387) 12.977 26.967 ( -8.404 3.108 -9.387) 12.977 27.351 ( -1.421 -0.795 -2.846) 3.279 27.351 ( -1.421 0.795 -2.846) 3.279 27.854 ( -0.648 -1.308 -0.042) 1.461 27.854 ( -0.648 1.308 -0.042) 1.461 27.974 ( 1.694 -0.441 0.208) 1.763 27.974 ( 1.694 0.441 0.208) 1.763 28.769 ( 4.179 -9.462 8.780) 13.568 28.769 ( 4.179 9.462 8.780) 13.568 28.910 ( -1.357 -10.612 -4.201) 11.493 28.910 ( -1.357 10.612 -4.201) 11.493 29.552 ( -0.233 -1.241 2.820) 3.090 29.552 ( -0.233 1.241 2.820) 3.090 29.607 ( 0.440 -0.521 -0.377) 0.780 29.607 ( 0.440 0.521 -0.377) 0.780 31.169 ( -0.846 -5.737 2.575) 6.345 31.169 ( -0.846 5.737 2.575) 6.345 32.017 ( 0.635 -4.296 -1.276) 4.526 32.017 ( 0.635 4.296 -1.276) 4.526 ======================= Grid point 121 (67/72) ======================= q-point: ( 0.14 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 4.793 -3.436 2.781) 6.520 1.739 ( 4.793 3.436 2.781) 6.520 2.183 ( 1.192 -3.874 -4.604) 6.134 2.183 ( 1.192 3.874 -4.604) 6.134 2.323 ( 11.815 -5.041 -3.872) 13.416 2.323 ( 11.815 5.041 -3.872) 13.416 2.545 ( 19.159 -4.307 2.532) 19.799 2.545 ( 19.159 4.307 2.532) 19.799 2.908 ( 0.359 -5.257 -5.800) 7.837 2.908 ( 0.359 5.257 -5.800) 7.837 2.999 ( 6.233 -2.942 1.820) 7.129 2.999 ( 6.233 2.942 1.820) 7.129 3.278 ( 4.309 -2.454 4.002) 6.372 3.278 ( 4.309 2.454 4.002) 6.372 3.582 ( 5.396 -2.612 -3.812) 7.105 3.582 ( 5.396 2.612 -3.812) 7.105 4.025 ( 3.793 -6.012 3.511) 7.929 4.025 ( 3.793 6.012 3.511) 7.929 4.116 ( -0.837 -1.170 7.375) 7.514 4.116 ( -0.837 1.170 7.375) 7.514 4.356 ( -0.971 -2.989 2.001) 3.726 4.356 ( -0.971 2.989 2.001) 3.726 4.490 ( -2.218 -2.908 1.156) 3.836 4.490 ( -2.218 2.908 1.156) 3.836 4.707 ( -6.203 -4.499 -6.057) 9.768 4.707 ( -6.203 4.499 -6.057) 9.768 5.009 ( 2.060 -7.834 9.713) 12.648 5.009 ( 2.060 7.834 9.713) 12.648 5.272 ( -5.690 -5.896 -5.738) 10.003 5.272 ( -5.690 5.896 -5.738) 10.003 5.454 ( 0.656 -4.039 7.804) 8.812 5.454 ( 0.656 4.039 7.804) 8.812 5.712 ( 1.217 -5.090 4.009) 6.593 5.712 ( 1.217 5.090 4.009) 6.593 5.952 ( 7.351 -7.455 -6.115) 12.125 5.952 ( 7.351 7.455 -6.115) 12.125 6.209 ( -6.157 -3.066 -6.171) 9.241 6.209 ( -6.157 3.066 -6.171) 9.241 6.541 ( 5.492 -1.604 -0.006) 5.721 6.541 ( 5.492 1.604 -0.006) 5.721 6.744 ( -3.456 -3.975 2.898) 6.012 6.744 ( -3.456 3.975 2.898) 6.012 7.069 ( -6.655 -5.973 0.738) 8.972 7.069 ( -6.655 5.973 0.738) 8.972 7.232 ( -3.117 -2.583 5.312) 6.679 7.232 ( -3.117 2.583 5.312) 6.679 7.497 ( 2.865 -3.292 -5.211) 6.797 7.497 ( 2.865 3.292 -5.211) 6.797 7.696 ( -7.052 -0.846 7.608) 10.409 7.696 ( -7.052 0.846 7.608) 10.409 7.943 ( 3.985 -1.974 -7.134) 8.407 7.943 ( 3.985 1.974 -7.134) 8.407 8.257 ( -10.951 -3.932 -5.464) 12.855 8.257 ( -10.951 3.932 -5.464) 12.855 8.607 ( 2.477 -4.338 3.962) 6.376 8.607 ( 2.477 4.338 3.962) 6.376 8.998 ( -4.976 -1.544 -4.219) 6.704 8.998 ( -4.976 1.544 -4.219) 6.704 9.387 ( -0.481 -3.777 7.707) 8.596 9.387 ( -0.481 3.777 7.707) 8.596 9.632 ( 5.529 -1.490 -1.412) 5.898 9.632 ( 5.529 1.490 -1.412) 5.898 9.913 ( 1.598 -1.638 -3.874) 4.499 9.913 ( 1.598 1.638 -3.874) 4.499 10.496 ( -9.146 -1.711 -0.503) 9.318 10.496 ( -9.146 1.711 -0.503) 9.318 10.572 ( -2.279 -2.528 -1.328) 3.654 10.572 ( -2.279 2.528 -1.328) 3.654 11.294 ( -4.387 -1.345 -2.486) 5.219 11.294 ( -4.387 1.345 -2.486) 5.219 11.532 ( 5.026 -3.794 1.258) 6.421 11.532 ( 5.026 3.794 1.258) 6.421 11.906 ( -1.817 -2.530 -1.481) 3.448 11.906 ( -1.817 2.530 -1.481) 3.448 12.376 ( -1.626 -2.670 -1.293) 3.383 12.376 ( -1.626 2.670 -1.293) 3.383 12.738 ( -6.090 -3.083 0.998) 6.898 12.738 ( -6.090 3.083 0.998) 6.898 12.997 ( 0.252 -1.275 1.174) 1.751 12.997 ( 0.252 1.275 1.174) 1.751 13.601 ( 14.753 -0.621 -1.468) 14.838 13.601 ( 14.753 0.621 -1.468) 14.838 13.762 ( 10.426 -4.477 1.204) 11.410 13.762 ( 10.426 4.477 1.204) 11.410 14.354 ( -1.138 -2.095 -2.464) 3.429 14.354 ( -1.138 2.095 -2.464) 3.429 14.482 ( 7.184 -4.872 1.795) 8.864 14.482 ( 7.184 4.872 1.795) 8.864 15.477 ( -1.563 -0.845 0.356) 1.813 15.477 ( -1.563 0.845 0.356) 1.813 15.645 ( -1.380 -1.725 -1.041) 2.442 15.645 ( -1.380 1.725 -1.041) 2.442 16.135 ( 3.084 -2.497 2.370) 4.622 16.135 ( 3.084 2.497 2.370) 4.622 16.346 ( 1.680 -4.436 0.152) 4.746 16.346 ( 1.680 4.436 0.152) 4.746 16.998 ( -3.713 -1.631 -1.238) 4.240 16.998 ( -3.713 1.631 -1.238) 4.240 17.465 ( 5.776 -3.337 -0.010) 6.671 17.465 ( 5.776 3.337 -0.010) 6.671 20.574 ( -4.896 -4.241 0.207) 6.481 20.574 ( -4.896 4.241 0.207) 6.481 20.667 ( -5.883 -4.073 -0.753) 7.195 20.667 ( -5.883 4.073 -0.753) 7.195 25.356 ( -1.579 -0.190 -0.067) 1.592 25.356 ( -1.579 0.190 -0.067) 1.592 25.479 ( 0.271 -0.193 -0.330) 0.469 25.479 ( 0.271 0.193 -0.330) 0.469 26.385 ( -2.083 -1.870 -0.363) 2.823 26.385 ( -2.083 1.870 -0.363) 2.823 26.753 ( -7.113 -3.624 0.418) 7.994 26.753 ( -7.113 3.624 0.418) 7.994 27.063 ( 8.485 -1.109 4.494) 9.666 27.063 ( 8.485 1.109 4.494) 9.666 27.335 ( 0.348 -3.641 1.853) 4.101 27.335 ( 0.348 3.641 1.853) 4.101 27.860 ( 1.235 -1.348 -0.116) 1.832 27.860 ( 1.235 1.348 -0.116) 1.832 28.034 ( 4.810 -2.065 -1.712) 5.508 28.034 ( 4.810 2.065 -1.712) 5.508 28.783 ( -1.620 -6.753 -2.511) 7.385 28.783 ( -1.620 6.753 -2.511) 7.385 28.994 ( 8.485 -12.695 -0.703) 15.286 28.994 ( 8.485 12.695 -0.703) 15.286 29.533 ( -2.344 -2.064 1.059) 3.298 29.533 ( -2.344 2.064 1.059) 3.298 29.638 ( 2.281 -2.382 -0.653) 3.362 29.638 ( 2.281 2.382 -0.653) 3.362 31.147 ( -3.211 -0.705 2.227) 3.971 31.147 ( -3.211 0.705 2.227) 3.971 31.936 ( -7.663 -7.931 -1.586) 11.142 31.936 ( -7.663 7.931 -1.586) 11.142 ======================= Grid point 123 (68/72) ======================= q-point: ( 0.29 -0.50 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 6.668 -9.271 7.338) 13.574 1.886 ( 6.668 9.271 7.338) 13.574 2.180 ( 0.367 -6.178 2.924) 6.844 2.180 ( 0.367 6.178 2.924) 6.844 2.469 ( 7.335 -3.084 -8.820) 11.879 2.469 ( 7.335 3.084 -8.820) 11.879 2.824 ( -0.499 -9.017 -2.614) 9.401 2.824 ( -0.499 9.017 -2.614) 9.401 2.963 ( 20.847 -6.432 -3.099) 22.036 2.963 ( 20.847 6.432 -3.099) 22.036 3.241 ( 13.680 -3.869 4.774) 14.997 3.241 ( 13.680 3.869 4.774) 14.997 3.416 ( 6.386 -1.981 0.683) 6.721 3.416 ( 6.386 1.981 0.683) 6.721 3.679 ( 8.712 -6.027 -3.142) 11.050 3.679 ( 8.712 6.027 -3.142) 11.050 4.010 ( -5.881 -5.774 2.035) 8.489 4.010 ( -5.881 5.774 2.035) 8.489 4.145 ( -3.441 -4.889 0.118) 5.980 4.145 ( -3.441 4.889 0.118) 5.980 4.356 ( 0.554 -5.148 3.937) 6.504 4.356 ( 0.554 5.148 3.937) 6.504 4.518 ( 2.432 -2.639 -0.905) 3.701 4.518 ( 2.432 2.639 -0.905) 3.701 4.673 ( 5.877 -0.951 1.718) 6.196 4.673 ( 5.877 0.951 1.718) 6.196 5.010 ( -4.552 -4.868 3.087) 7.345 5.010 ( -4.552 4.868 3.087) 7.345 5.212 ( 0.313 -1.973 2.174) 2.953 5.212 ( 0.313 1.973 2.174) 2.953 5.474 ( -5.320 -7.507 4.082) 10.065 5.474 ( -5.320 7.507 4.082) 10.065 5.763 ( 4.298 -3.547 -0.184) 5.576 5.763 ( 4.298 3.547 -0.184) 5.576 6.039 ( -1.901 -7.999 -1.517) 8.361 6.039 ( -1.901 7.999 -1.517) 8.361 6.111 ( 5.709 -4.344 -0.877) 7.227 6.111 ( 5.709 4.344 -0.877) 7.227 6.498 ( -6.783 -6.219 -1.345) 9.300 6.498 ( -6.783 6.219 -1.345) 9.300 6.758 ( -5.481 -2.395 2.077) 6.331 6.758 ( -5.481 2.395 2.077) 6.331 6.959 ( 1.963 -2.781 -4.387) 5.553 6.959 ( 1.963 2.781 -4.387) 5.553 7.146 ( -9.325 -2.249 3.581) 10.239 7.146 ( -9.325 2.249 3.581) 10.239 7.518 ( -0.383 -6.879 3.133) 7.569 7.518 ( -0.383 6.879 3.133) 7.569 7.628 ( -2.491 -4.274 1.153) 5.079 7.628 ( -2.491 4.274 1.153) 5.079 7.954 ( 0.176 -2.150 -5.590) 5.992 7.954 ( 0.176 2.150 -5.590) 5.992 8.021 ( -6.991 -4.058 -6.423) 10.324 8.021 ( -6.991 4.058 -6.423) 10.324 8.626 ( -3.075 -3.530 3.101) 5.616 8.626 ( -3.075 3.530 3.101) 5.616 8.887 ( -2.994 -2.386 -4.001) 5.537 8.887 ( -2.994 2.386 -4.001) 5.537 9.420 ( -0.873 -4.008 5.358) 6.748 9.420 ( -0.873 4.008 5.358) 6.748 9.767 ( 6.420 -2.568 3.916) 7.946 9.767 ( 6.420 2.568 3.916) 7.946 9.924 ( 2.253 -2.558 -2.321) 4.124 9.924 ( 2.253 2.558 -2.321) 4.124 10.289 ( -8.376 -2.549 -4.582) 9.882 10.289 ( -8.376 2.549 -4.582) 9.882 10.534 ( -2.940 -2.434 1.835) 4.235 10.534 ( -2.940 2.434 1.835) 4.235 11.193 ( -4.240 -1.242 -2.523) 5.088 11.193 ( -4.240 1.242 -2.523) 5.088 11.617 ( 3.057 -4.089 -1.099) 5.222 11.617 ( 3.057 4.089 -1.099) 5.222 11.889 ( 1.357 -4.284 -0.139) 4.496 11.889 ( 1.357 4.284 -0.139) 4.496 12.336 ( -1.709 -3.927 -0.549) 4.317 12.336 ( -1.709 3.927 -0.549) 4.317 12.636 ( -4.983 -4.041 0.302) 6.423 12.636 ( -4.983 4.041 0.302) 6.423 13.004 ( -0.597 -0.588 2.443) 2.582 13.004 ( -0.597 0.588 2.443) 2.582 13.870 ( 4.075 -3.342 0.872) 5.342 13.870 ( 4.075 3.342 0.872) 5.342 13.947 ( 15.890 -1.201 -1.542) 16.010 13.947 ( 15.890 1.201 -1.542) 16.010 14.375 ( 4.995 -2.569 1.486) 5.810 14.375 ( 4.995 2.569 1.486) 5.810 14.645 ( 8.622 -5.535 0.231) 10.249 14.645 ( 8.622 5.535 0.231) 10.249 15.454 ( -0.888 -0.748 -0.174) 1.174 15.454 ( -0.888 0.748 -0.174) 1.174 15.590 ( -3.071 -1.130 -1.654) 3.667 15.590 ( -3.071 1.130 -1.654) 3.667 16.201 ( 1.578 -4.159 1.626) 4.736 16.201 ( 1.578 4.159 1.626) 4.736 16.366 ( 0.158 -5.101 -0.864) 5.176 16.366 ( 0.158 5.101 -0.864) 5.176 16.912 ( -3.988 -2.209 -0.254) 4.566 16.912 ( -3.988 2.209 -0.254) 4.566 17.619 ( 10.694 -4.978 -0.765) 11.820 17.619 ( 10.694 4.978 -0.765) 11.820 20.415 ( -11.314 -3.914 0.132) 11.973 20.415 ( -11.314 3.914 0.132) 11.973 20.576 ( -3.117 -2.855 -0.691) 4.283 20.576 ( -3.117 2.855 -0.691) 4.283 25.324 ( -1.695 -0.356 0.201) 1.743 25.324 ( -1.695 0.356 0.201) 1.743 25.475 ( -0.463 -0.662 -0.638) 1.030 25.475 ( -0.463 0.662 -0.638) 1.030 26.325 ( -2.284 -2.957 -2.330) 4.403 26.325 ( -2.284 2.957 -2.330) 4.403 26.676 ( -3.329 -5.336 2.556) 6.789 26.676 ( -3.329 5.336 2.556) 6.789 27.244 ( 4.996 -1.331 8.188) 9.684 27.244 ( 4.996 1.331 8.188) 9.684 27.393 ( 2.896 -5.133 5.298) 7.925 27.393 ( 2.896 5.133 5.298) 7.925 27.892 ( 2.572 -1.215 -0.786) 2.951 27.892 ( 2.572 1.215 -0.786) 2.951 28.099 ( 3.350 -2.783 -2.685) 5.116 28.099 ( 3.350 2.783 -2.685) 5.116 28.775 ( 3.814 -6.942 -3.710) 8.747 28.775 ( 3.814 6.942 -3.710) 8.747 29.097 ( 3.354 -10.240 -3.151) 11.226 29.097 ( 3.354 10.240 -3.151) 11.226 29.506 ( -0.838 -3.080 0.565) 3.242 29.506 ( -0.838 3.080 0.565) 3.242 29.660 ( 0.934 -5.589 -1.920) 5.983 29.660 ( 0.934 5.589 -1.920) 5.983 31.093 ( -3.875 -3.103 1.498) 5.185 31.093 ( -3.875 3.103 1.498) 5.185 31.754 ( -9.412 -9.821 -1.621) 13.699 31.754 ( -9.412 9.821 -1.621) 13.699 ======================= Grid point 125 (69/72) ======================= q-point: ( 0.43 -0.50 -0.60) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 3.703 -6.264 6.584) 9.813 2.047 ( 3.703 6.264 6.584) 9.813 2.230 ( 0.883 -6.642 5.134) 8.441 2.230 ( 0.883 6.642 5.134) 8.441 2.510 ( 3.840 -0.898 -3.981) 5.604 2.510 ( 3.840 0.898 -3.981) 5.604 2.817 ( 1.460 -4.892 -1.486) 5.317 2.817 ( 1.460 4.892 -1.486) 5.317 3.211 ( 4.956 -4.692 -2.768) 7.365 3.211 ( 4.956 4.692 -2.768) 7.365 3.428 ( 6.474 -4.174 -2.832) 8.207 3.428 ( 6.474 4.174 -2.832) 8.207 3.491 ( -1.338 -1.767 3.093) 3.805 3.491 ( -1.338 1.767 3.093) 3.805 3.864 ( 9.198 -7.949 1.752) 12.282 3.864 ( 9.198 7.949 1.752) 12.282 3.907 ( -0.259 -1.358 -3.288) 3.567 3.907 ( -0.259 1.358 -3.288) 3.567 4.149 ( 2.876 -3.258 2.086) 4.820 4.149 ( 2.876 3.258 2.086) 4.820 4.344 ( -1.377 -2.175 -0.948) 2.743 4.344 ( -1.377 2.175 -0.948) 2.743 4.461 ( -8.075 -4.224 -1.298) 9.205 4.461 ( -8.075 4.224 -1.298) 9.205 4.796 ( -2.123 -1.880 8.670) 9.122 4.796 ( -2.123 1.880 8.670) 9.122 5.015 ( 4.037 -5.140 0.153) 6.538 5.015 ( 4.037 5.140 0.153) 6.538 5.195 ( -3.915 -9.054 -4.083) 10.676 5.195 ( -3.915 9.054 -4.083) 10.676 5.492 ( 7.862 -5.870 7.072) 12.095 5.492 ( 7.862 5.870 7.072) 12.095 5.840 ( -2.904 -5.301 0.943) 6.117 5.840 ( -2.904 5.301 0.943) 6.117 5.987 ( 5.518 -3.317 0.374) 6.449 5.987 ( 5.518 3.317 0.374) 6.449 6.200 ( -0.237 -6.232 -0.329) 6.245 6.200 ( -0.237 6.232 -0.329) 6.245 6.378 ( -11.009 -4.345 -0.249) 11.838 6.378 ( -11.009 4.345 -0.249) 11.838 6.560 ( -2.112 -1.634 -2.618) 3.740 6.560 ( -2.112 1.634 -2.618) 3.740 7.017 ( -4.383 -1.671 1.943) 5.077 7.017 ( -4.383 1.671 1.943) 5.077 7.077 ( 4.983 -0.586 -0.261) 5.024 7.077 ( 4.983 0.586 -0.261) 5.024 7.442 ( -6.988 -3.580 1.829) 8.062 7.442 ( -6.988 3.580 1.829) 8.062 7.674 ( 4.020 -3.700 -0.360) 5.475 7.674 ( 4.020 3.700 -0.360) 5.475 7.847 ( -2.815 -3.868 -1.849) 5.129 7.847 ( -2.815 3.868 -1.849) 5.129 7.960 ( 0.373 -2.535 -5.676) 6.227 7.960 ( 0.373 2.535 -5.676) 6.227 8.567 ( -3.732 -3.697 0.653) 5.293 8.567 ( -3.732 3.697 0.653) 5.293 8.832 ( -0.952 -1.086 -1.189) 1.870 8.832 ( -0.952 1.086 -1.189) 1.870 9.448 ( 1.190 -2.345 1.102) 2.851 9.448 ( 1.190 2.345 1.102) 2.851 9.861 ( 1.244 -0.899 2.524) 2.954 9.861 ( 1.244 0.899 2.524) 2.954 9.961 ( 1.216 -1.504 -0.281) 1.954 9.961 ( 1.216 1.504 -0.281) 1.954 10.190 ( 0.924 -0.778 -0.782) 1.439 10.190 ( 0.924 0.778 -0.782) 1.439 10.481 ( -3.467 -2.278 -0.342) 4.163 10.481 ( -3.467 2.278 -0.342) 4.163 11.120 ( -1.310 -1.218 -2.089) 2.750 11.120 ( -1.310 1.218 -2.089) 2.750 11.616 ( -0.794 -2.855 -3.075) 4.270 11.616 ( -0.794 2.855 -3.075) 4.270 11.949 ( 3.757 -4.069 0.509) 5.562 11.949 ( 3.757 4.069 0.509) 5.562 12.307 ( -1.163 -2.256 -0.049) 2.538 12.307 ( -1.163 2.256 -0.049) 2.538 12.575 ( -1.572 -3.252 0.486) 3.644 12.575 ( -1.572 3.252 0.486) 3.644 13.014 ( 0.088 -0.536 1.317) 1.425 13.014 ( 0.088 0.536 1.317) 1.425 13.862 ( -2.000 -2.035 0.084) 2.854 13.862 ( -2.000 2.035 0.084) 2.854 14.160 ( 6.035 -1.827 -1.353) 6.449 14.160 ( 6.035 1.827 -1.353) 6.449 14.535 ( 7.245 -4.170 4.359) 9.428 14.535 ( 7.245 4.170 4.359) 9.428 14.765 ( 4.381 -4.383 -1.766) 6.444 14.765 ( 4.381 4.383 -1.766) 6.444 15.432 ( -2.441 -1.760 2.495) 3.909 15.432 ( -2.441 1.760 2.495) 3.909 15.534 ( -0.426 -1.404 -3.576) 3.865 15.534 ( -0.426 1.404 -3.576) 3.865 16.225 ( 0.882 -3.703 0.773) 3.884 16.225 ( 0.882 3.703 0.773) 3.884 16.319 ( -4.115 -5.534 -1.202) 7.000 16.319 ( -4.115 5.534 -1.202) 7.000 16.876 ( -0.331 -2.360 1.175) 2.657 16.876 ( -0.331 2.360 1.175) 2.657 17.792 ( 6.707 -4.084 -0.942) 7.909 17.792 ( 6.707 4.084 -0.942) 7.909 20.236 ( -6.227 -1.503 -0.204) 6.409 20.236 ( -6.227 1.503 -0.204) 6.409 20.535 ( -0.858 -0.650 -0.601) 1.233 20.535 ( -0.858 0.650 -0.601) 1.233 25.304 ( -0.519 -0.126 0.268) 0.597 25.304 ( -0.519 0.126 0.268) 0.597 25.458 ( -0.593 -0.581 -0.723) 1.101 25.458 ( -0.593 0.581 -0.723) 1.101 26.284 ( -0.919 -1.561 -1.116) 2.128 26.284 ( -0.919 1.561 -1.116) 2.128 26.652 ( -1.129 -3.031 1.814) 3.709 26.652 ( -1.129 3.031 1.814) 3.709 27.357 ( 1.584 -0.332 6.889) 7.077 27.357 ( 1.584 0.332 6.889) 7.077 27.488 ( 2.121 -3.801 5.658) 7.139 27.488 ( 2.121 3.801 5.658) 7.139 27.935 ( 2.151 -0.462 -0.448) 2.245 27.935 ( 2.151 0.462 -0.448) 2.245 28.109 ( 0.686 -2.268 -4.110) 4.744 28.109 ( 0.686 2.268 -4.110) 4.744 28.849 ( 4.149 -6.101 -0.232) 7.382 28.849 ( 4.149 6.101 -0.232) 7.382 29.072 ( -1.823 -7.281 -4.739) 8.876 29.072 ( -1.823 7.281 -4.739) 8.876 29.508 ( -0.369 -3.463 1.617) 3.840 29.508 ( -0.369 3.463 1.617) 3.840 29.646 ( -0.120 -6.665 -3.024) 7.320 29.646 ( -0.120 6.665 -3.024) 7.320 31.039 ( -2.773 -3.637 1.164) 4.719 31.039 ( -2.773 3.637 1.164) 4.719 31.617 ( -3.224 -7.308 -1.557) 8.138 31.617 ( -3.224 7.308 -1.557) 8.138 ======================= Grid point 127 (70/72) ======================= q-point: (-0.43 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.767 -1.411 2.063) 2.615 2.115 ( 0.767 1.411 2.063) 2.615 2.245 ( -1.696 -5.233 0.889) 5.572 2.245 ( -1.696 5.233 0.889) 5.572 2.532 ( -1.849 -4.682 -1.656) 5.299 2.532 ( -1.849 4.682 -1.656) 5.299 2.793 ( -4.083 -2.762 -0.702) 4.980 2.793 ( -4.083 2.762 -0.702) 4.980 3.142 ( -8.686 -6.697 1.500) 11.070 3.142 ( -8.686 6.697 1.500) 11.070 3.395 ( -4.575 -0.829 -0.436) 4.670 3.395 ( -4.575 0.829 -0.436) 4.670 3.567 ( 5.467 -3.199 -2.942) 6.984 3.567 ( 5.467 3.199 -2.942) 6.984 3.831 ( -8.550 -2.029 -0.351) 8.794 3.831 ( -8.550 2.029 -0.351) 8.794 3.932 ( -4.850 -1.810 -0.271) 5.184 3.932 ( -4.850 1.810 -0.271) 5.184 4.174 ( -1.830 -2.857 -0.793) 3.484 4.174 ( -1.830 2.857 -0.793) 3.484 4.293 ( 0.594 -2.407 3.731) 4.480 4.293 ( 0.594 2.407 3.731) 4.480 4.460 ( 7.395 -2.525 -1.089) 7.890 4.460 ( 7.395 2.525 -1.089) 7.890 4.766 ( -6.947 -2.337 10.579) 12.870 4.766 ( -6.947 2.337 10.579) 12.870 5.055 ( -4.845 -4.410 1.060) 6.637 5.055 ( -4.845 4.410 1.060) 6.637 5.126 ( 3.859 -4.919 0.129) 6.254 5.126 ( 3.859 4.919 0.129) 6.254 5.564 ( -6.902 -2.298 -1.464) 7.420 5.564 ( -6.902 2.298 -1.464) 7.420 5.823 ( 3.011 -4.162 2.154) 5.570 5.823 ( 3.011 4.162 2.154) 5.570 6.069 ( -6.011 -3.450 -5.565) 8.889 6.069 ( -6.011 3.450 -5.565) 8.889 6.184 ( 0.652 -4.805 0.649) 4.893 6.184 ( 0.652 4.805 0.649) 4.893 6.317 ( 17.528 -2.766 4.031) 18.197 6.317 ( 17.528 2.766 4.031) 18.197 6.592 ( 0.844 -3.717 -4.202) 5.674 6.592 ( 0.844 3.717 -4.202) 5.674 6.940 ( -9.714 -3.674 4.763) 11.425 6.940 ( -9.714 3.674 4.763) 11.425 7.105 ( 2.418 -0.876 1.443) 2.949 7.105 ( 2.418 0.876 1.443) 2.949 7.451 ( 7.183 -5.193 0.181) 8.865 7.451 ( 7.183 5.193 0.181) 8.865 7.676 ( -3.076 -1.351 0.168) 3.363 7.676 ( -3.076 1.351 0.168) 3.363 7.863 ( 4.402 -2.928 -3.023) 6.090 7.863 ( 4.402 2.928 -3.023) 6.090 7.931 ( 0.635 -1.304 -3.655) 3.932 7.931 ( 0.635 1.304 -3.655) 3.932 8.546 ( 1.141 -0.921 2.147) 2.600 8.546 ( 1.141 0.921 2.147) 2.600 8.822 ( 0.146 -1.239 -0.274) 1.278 8.822 ( 0.146 1.239 -0.274) 1.278 9.478 ( 2.394 -3.727 -1.561) 4.697 9.478 ( 2.394 3.727 -1.561) 4.697 9.885 ( -0.425 -1.218 0.844) 1.542 9.885 ( -0.425 1.218 0.844) 1.542 9.955 ( 0.508 -3.278 -0.210) 3.324 9.955 ( 0.508 3.278 -0.210) 3.324 10.230 ( 0.806 -1.262 -3.360) 3.678 10.230 ( 0.806 1.262 -3.360) 3.678 10.445 ( 1.211 -2.092 2.232) 3.290 10.445 ( 1.211 2.092 2.232) 3.290 11.121 ( 2.818 -1.455 -2.049) 3.776 11.121 ( 2.818 1.455 -2.049) 3.776 11.579 ( -1.198 -0.723 -0.109) 1.404 11.579 ( -1.198 0.723 -0.109) 1.404 11.983 ( 0.088 -3.294 -2.579) 4.185 11.983 ( 0.088 3.294 -2.579) 4.185 12.305 ( 1.155 -2.967 0.472) 3.219 12.305 ( 1.155 2.967 0.472) 3.219 12.588 ( 2.703 -2.760 -0.510) 3.896 12.588 ( 2.703 2.760 -0.510) 3.896 13.026 ( 0.663 -1.190 0.155) 1.371 13.026 ( 0.663 1.190 0.155) 1.371 13.842 ( -0.748 -1.615 1.846) 2.564 13.842 ( -0.748 1.615 1.846) 2.564 14.159 ( -4.937 -0.742 -1.169) 5.128 14.159 ( -4.937 0.742 -1.169) 5.128 14.585 ( -4.834 -3.072 0.385) 5.741 14.585 ( -4.834 3.072 0.385) 5.741 14.772 ( -1.729 -2.402 -2.583) 3.928 14.772 ( -1.729 2.402 -2.583) 3.928 15.417 ( -1.752 -1.126 4.151) 4.644 15.417 ( -1.752 1.126 4.151) 4.644 15.525 ( 2.282 -1.856 -3.438) 4.525 15.525 ( 2.282 1.856 -3.438) 4.525 16.225 ( -2.390 -1.947 -0.064) 3.084 16.225 ( -2.390 1.947 -0.064) 3.084 16.279 ( 1.159 -1.564 2.882) 3.477 16.279 ( 1.159 1.564 2.882) 3.477 16.894 ( 1.458 -2.254 -0.202) 2.692 16.894 ( 1.458 2.254 -0.202) 2.692 17.794 ( -5.751 -1.059 -1.149) 5.960 17.794 ( -5.751 1.059 -1.149) 5.960 20.231 ( 5.883 -1.550 0.170) 6.086 20.231 ( 5.883 1.550 0.170) 6.086 20.537 ( 1.592 -0.984 -0.761) 2.020 20.537 ( 1.592 0.984 -0.761) 2.020 25.309 ( 0.942 -0.367 -0.130) 1.019 25.309 ( 0.942 0.367 -0.130) 1.019 25.451 ( 0.340 -0.370 -0.204) 0.543 25.451 ( 0.340 0.370 -0.204) 0.543 26.268 ( -0.510 -1.815 0.228) 1.899 26.268 ( -0.510 1.815 0.228) 1.899 26.661 ( 1.060 -0.438 1.013) 1.531 26.661 ( 1.060 0.438 1.013) 1.531 27.408 ( -0.015 -0.851 2.785) 2.912 27.408 ( -0.015 0.851 2.785) 2.912 27.542 ( 0.623 -1.907 1.922) 2.778 27.542 ( 0.623 1.907 1.922) 2.778 27.945 ( -1.181 -1.688 -0.321) 2.085 27.945 ( -1.181 1.688 -0.321) 2.085 28.077 ( -0.746 -0.616 -3.184) 3.327 28.077 ( -0.746 0.616 -3.184) 3.327 28.827 ( -7.728 -5.673 1.630) 9.724 28.827 ( -7.728 5.673 1.630) 9.724 29.044 ( 2.262 -7.022 -2.546) 7.804 29.044 ( 2.262 7.022 -2.546) 7.804 29.498 ( -2.333 -4.027 2.527) 5.296 29.498 ( -2.333 4.027 2.527) 5.296 29.630 ( 0.565 -4.440 -1.841) 4.839 29.630 ( 0.565 4.440 -1.841) 4.839 31.023 ( -0.009 -8.147 2.353) 8.481 31.023 ( -0.009 8.147 2.353) 8.481 31.626 ( 5.376 -3.600 -2.167) 6.823 31.626 ( 5.376 3.600 -2.167) 6.823 ======================= Grid point 129 (71/72) ======================= q-point: (-0.29 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -7.614 -10.260 -7.003) 14.570 2.046 ( -7.614 10.260 -7.003) 14.570 2.235 ( -2.029 -3.699 6.642) 7.869 2.235 ( -2.029 3.699 6.642) 7.869 2.386 ( -7.626 -6.408 -9.542) 13.794 2.386 ( -7.626 6.408 -9.542) 13.794 2.703 ( -6.767 -9.867 6.229) 13.488 2.703 ( -6.767 9.867 6.229) 13.488 2.930 ( -15.387 -7.460 1.857) 17.201 2.930 ( -15.387 7.460 1.857) 17.201 3.332 ( -11.870 -4.265 0.567) 12.626 3.332 ( -11.870 4.265 0.567) 12.626 3.371 ( -8.270 -0.681 -0.892) 8.346 3.371 ( -8.270 0.681 -0.892) 8.346 3.693 ( -8.656 -4.883 -2.521) 10.253 3.693 ( -8.656 4.883 -2.521) 10.253 3.962 ( 7.181 -2.991 5.742) 9.669 3.962 ( 7.181 2.991 5.742) 9.669 4.160 ( 0.464 -1.095 -1.886) 2.229 4.160 ( 0.464 1.095 -1.886) 2.229 4.358 ( 0.260 -7.165 3.889) 8.156 4.358 ( 0.260 7.165 3.889) 8.156 4.506 ( -1.711 -3.555 -0.328) 3.959 4.506 ( -1.711 3.555 -0.328) 3.959 4.685 ( -5.900 -2.600 0.829) 6.500 4.685 ( -5.900 2.600 0.829) 6.500 4.994 ( -2.502 -6.841 6.879) 10.019 4.994 ( -2.502 6.841 6.879) 10.019 5.254 ( 4.732 -4.052 1.744) 6.469 5.254 ( 4.732 4.052 1.744) 6.469 5.469 ( 1.760 -6.134 -2.039) 6.699 5.469 ( 1.760 6.134 -2.039) 6.699 5.768 ( -3.816 -2.988 -0.676) 4.894 5.768 ( -3.816 2.988 -0.676) 4.894 6.021 ( -2.708 -8.834 0.515) 9.254 6.021 ( -2.708 8.834 0.515) 9.254 6.230 ( 3.395 -8.023 -7.598) 11.559 6.230 ( 3.395 8.023 -7.598) 11.559 6.490 ( -0.402 -2.267 -2.273) 3.235 6.490 ( -0.402 2.267 -2.273) 3.235 6.723 ( 12.139 -0.920 6.097) 13.615 6.723 ( 12.139 0.920 6.097) 13.615 6.807 ( -4.408 -5.574 6.336) 9.521 6.807 ( -4.408 5.574 6.336) 9.521 7.195 ( 5.140 -1.632 -0.738) 5.444 7.195 ( 5.140 1.632 -0.738) 5.444 7.561 ( -2.233 -2.512 -2.043) 3.933 7.561 ( -2.233 2.512 -2.043) 3.933 7.666 ( 6.971 -3.314 3.146) 8.336 7.666 ( 6.971 3.314 3.146) 8.336 7.916 ( 4.063 -6.244 -4.205) 8.555 7.916 ( 4.063 6.244 -4.205) 8.555 7.940 ( 2.864 -2.055 -0.116) 3.527 7.940 ( 2.864 2.055 -0.116) 3.527 8.620 ( 2.926 -2.702 3.532) 5.323 8.620 ( 2.926 2.702 3.532) 5.323 8.834 ( 1.783 -1.362 -0.225) 2.255 8.834 ( 1.783 1.362 -0.225) 2.255 9.513 ( 2.695 -8.007 -2.339) 8.766 9.513 ( 2.695 8.007 -2.339) 8.766 9.833 ( -5.375 -3.104 -0.320) 6.215 9.833 ( -5.375 3.104 -0.320) 6.215 9.989 ( 3.206 -7.182 -6.721) 10.346 9.989 ( 3.206 7.182 -6.721) 10.346 10.202 ( 2.438 -1.668 -0.042) 2.955 10.202 ( 2.438 1.668 -0.042) 2.955 10.545 ( 5.655 -2.060 2.478) 6.509 10.545 ( 5.655 2.060 2.478) 6.509 11.180 ( 5.078 -1.745 -2.234) 5.815 11.180 ( 5.078 1.745 -2.234) 5.815 11.580 ( 0.092 -2.425 2.158) 3.247 11.580 ( 0.092 2.425 2.158) 3.247 11.934 ( -1.564 -6.738 -4.077) 8.030 11.934 ( -1.564 6.738 -4.077) 8.030 12.347 ( 3.150 -4.358 -0.864) 5.446 12.347 ( 3.150 4.358 -0.864) 5.446 12.654 ( 4.853 -4.210 -1.433) 6.583 12.654 ( 4.853 4.210 -1.433) 6.583 13.039 ( 0.898 -2.419 -0.608) 2.651 13.039 ( 0.898 2.419 -0.608) 2.651 13.831 ( -5.570 -5.325 3.707) 8.551 13.831 ( -5.570 5.325 3.707) 8.551 13.972 ( -11.705 -2.114 -3.069) 12.284 13.972 ( -11.705 2.114 -3.069) 12.284 14.414 ( -10.621 -1.197 -1.815) 10.842 14.414 ( -10.621 1.197 -1.815) 10.842 14.679 ( -5.502 -4.321 -2.666) 7.487 14.679 ( -5.502 4.321 -2.666) 7.487 15.419 ( -0.672 -0.522 2.927) 3.048 15.419 ( -0.672 0.522 2.927) 3.048 15.567 ( 3.244 -0.672 -0.003) 3.313 15.567 ( 3.244 0.672 -0.003) 3.313 16.201 ( -1.254 -0.709 1.170) 1.856 16.201 ( -1.254 0.709 1.170) 1.856 16.312 ( -1.258 -3.728 3.826) 5.489 16.312 ( -1.258 3.728 3.826) 5.489 16.928 ( 3.128 -4.218 -1.300) 5.410 16.928 ( 3.128 4.218 -1.300) 5.410 17.617 ( -10.500 -2.499 -0.647) 10.812 17.617 ( -10.500 2.499 -0.647) 10.812 20.413 ( 11.722 -3.886 0.306) 12.353 20.413 ( 11.722 3.886 0.306) 12.353 20.579 ( 3.642 -2.837 -0.942) 4.712 20.579 ( 3.642 2.837 -0.942) 4.712 25.333 ( 1.780 -0.925 -0.536) 2.077 25.333 ( 1.780 0.925 -0.536) 2.077 25.463 ( 0.701 -0.605 0.284) 0.968 25.463 ( 0.701 0.605 0.284) 0.968 26.271 ( 0.136 -3.122 2.122) 3.777 26.271 ( 0.136 3.122 2.122) 3.777 26.706 ( 3.403 -3.161 0.079) 4.645 26.706 ( 3.403 3.161 0.079) 4.645 27.392 ( -2.286 -1.704 -2.392) 3.722 27.392 ( -2.286 1.704 -2.392) 3.722 27.516 ( -2.449 -2.915 -6.045) 7.144 27.516 ( -2.449 2.915 -6.045) 7.144 27.898 ( -2.413 -0.859 -0.314) 2.580 27.898 ( -2.413 0.859 -0.314) 2.580 28.045 ( -2.172 -2.572 0.453) 3.397 28.045 ( -2.172 2.572 0.453) 3.397 28.676 ( -8.652 -9.814 4.236) 13.752 28.676 ( -8.652 9.814 4.236) 13.752 29.050 ( -1.856 -8.797 1.109) 9.059 29.050 ( -1.856 8.797 1.109) 9.059 29.483 ( -0.607 -3.847 2.230) 4.488 29.483 ( -0.607 3.847 2.230) 4.488 29.631 ( -0.238 -4.393 0.441) 4.421 29.631 ( -0.238 4.393 0.441) 4.421 31.071 ( 2.437 -11.547 3.315) 12.258 31.071 ( 2.437 11.547 3.315) 12.258 31.762 ( 10.362 -3.621 -2.188) 11.192 31.762 ( 10.362 3.621 -2.188) 11.192 ======================= Grid point 131 (72/72) ======================= q-point: (-0.14 -0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -10.746 -7.396 -3.012) 13.389 1.814 ( -10.746 7.396 -3.012) 13.389 2.129 ( -8.875 -10.827 -0.365) 14.004 2.129 ( -8.875 10.827 -0.365) 14.004 2.266 ( -3.548 -5.682 0.940) 6.764 2.266 ( -3.548 5.682 0.940) 6.764 2.553 ( -11.730 -9.607 0.989) 15.194 2.553 ( -11.730 9.607 0.989) 15.194 2.800 ( 0.599 -9.085 3.490) 9.751 2.800 ( 0.599 9.085 3.490) 9.751 3.066 ( -9.829 -1.873 -1.610) 10.135 3.066 ( -9.829 1.873 -1.610) 10.135 3.299 ( -5.472 -1.587 1.502) 5.892 3.299 ( -5.472 1.587 1.502) 5.892 3.556 ( -2.749 -2.204 -2.158) 4.132 3.556 ( -2.749 2.204 -2.158) 4.132 4.038 ( -4.169 -3.295 2.602) 5.917 4.038 ( -4.169 3.295 2.602) 5.917 4.176 ( -1.867 -4.816 2.777) 5.864 4.176 ( -1.867 4.816 2.777) 5.864 4.358 ( 0.736 -5.172 0.989) 5.317 4.358 ( 0.736 5.172 0.989) 5.317 4.447 ( -3.337 -2.271 3.500) 5.343 4.447 ( -3.337 2.271 3.500) 5.343 4.658 ( 5.741 -5.417 -3.136) 8.493 4.658 ( 5.741 5.417 -3.136) 8.493 5.049 ( -3.302 -5.273 11.680) 13.234 5.049 ( -3.302 5.273 11.680) 13.234 5.259 ( 2.177 -2.742 -6.602) 7.473 5.259 ( 2.177 2.742 -6.602) 7.473 5.539 ( 3.111 -3.809 -2.384) 5.465 5.539 ( 3.111 3.809 -2.384) 5.465 5.776 ( 0.692 -3.232 3.142) 4.561 5.776 ( 0.692 3.232 3.142) 4.561 5.898 ( -8.405 -7.268 -0.381) 11.118 5.898 ( -8.405 7.268 -0.381) 11.118 6.188 ( 3.448 -7.266 -8.909) 12.003 6.188 ( 3.448 7.266 -8.909) 12.003 6.513 ( -0.579 -3.630 2.515) 4.454 6.513 ( -0.579 3.630 2.515) 4.454 6.767 ( 0.227 -4.571 3.431) 5.720 6.767 ( 0.227 4.571 3.431) 5.720 6.990 ( 7.972 -0.840 4.010) 8.963 6.990 ( 7.972 0.840 4.010) 8.963 7.260 ( 0.081 -3.508 4.056) 5.364 7.260 ( 0.081 3.508 4.056) 5.364 7.485 ( -1.185 -3.419 -4.175) 5.525 7.485 ( -1.185 3.419 -4.175) 5.525 7.775 ( 0.240 -2.089 2.887) 3.572 7.775 ( 0.240 2.089 2.887) 3.572 7.922 ( 2.802 -1.613 -6.993) 7.704 7.922 ( 2.802 1.613 -6.993) 7.704 8.119 ( 12.152 -10.846 5.905) 17.325 8.119 ( 12.152 10.846 5.905) 17.325 8.648 ( -2.118 -4.785 0.707) 5.280 8.648 ( -2.118 4.785 0.707) 5.280 8.904 ( 4.962 -0.990 2.499) 5.643 8.904 ( 4.962 0.990 2.499) 5.643 9.526 ( -0.401 -4.562 -2.000) 4.998 9.526 ( -0.401 4.562 -2.000) 4.998 9.684 ( -7.443 -2.533 -4.895) 9.262 9.684 ( -7.443 2.533 -4.895) 9.262 9.956 ( 1.334 -4.379 -9.232) 10.305 9.956 ( 1.334 4.379 -9.232) 10.305 10.354 ( 8.137 -5.092 6.741) 11.730 10.354 ( 8.137 5.092 6.741) 11.730 10.651 ( 5.279 -1.950 -2.312) 6.084 10.651 ( 5.279 1.950 -2.312) 6.084 11.268 ( 5.549 -1.150 -0.995) 5.754 11.268 ( 5.549 1.150 -0.995) 5.754 11.569 ( -2.506 -0.908 -1.940) 3.296 11.569 ( -2.506 0.908 -1.940) 3.296 11.913 ( 2.347 -4.172 -2.333) 5.325 11.913 ( 2.347 4.172 -2.333) 5.325 12.396 ( 2.948 -3.435 -2.365) 5.107 12.396 ( 2.948 3.435 -2.365) 5.107 12.734 ( 4.279 -4.036 0.094) 5.883 12.734 ( 4.279 4.036 0.094) 5.883 13.038 ( -0.622 -3.815 -1.672) 4.212 13.038 ( -0.622 3.815 -1.672) 4.212 13.606 ( -13.276 -1.011 -1.596) 13.410 13.606 ( -13.276 1.011 -1.596) 13.410 13.771 ( -11.802 -2.355 -0.125) 12.036 13.771 ( -11.802 2.355 -0.125) 12.036 14.288 ( -2.042 -3.808 3.239) 5.400 14.288 ( -2.042 3.808 3.239) 5.400 14.553 ( -5.092 -4.585 -4.129) 8.000 14.553 ( -5.092 4.585 -4.129) 8.000 15.448 ( 1.321 -0.498 2.891) 3.217 15.448 ( 1.321 0.498 2.891) 3.217 15.624 ( 2.266 -0.527 0.793) 2.458 15.624 ( 2.266 0.527 0.793) 2.458 16.155 ( -4.205 -1.446 0.010) 4.446 16.155 ( -4.205 1.446 0.010) 4.446 16.306 ( -1.657 -4.138 4.080) 6.043 16.306 ( -1.657 4.138 4.080) 6.043 16.989 ( 3.769 -4.392 -0.456) 5.805 16.989 ( 3.769 4.392 -0.456) 5.805 17.462 ( -5.580 -1.689 0.159) 5.832 17.462 ( -5.580 1.689 0.159) 5.832 20.580 ( 4.758 -3.192 -0.226) 5.734 20.580 ( 4.758 3.192 -0.226) 5.734 20.668 ( 6.680 -3.220 -0.876) 7.467 20.668 ( 6.680 3.220 -0.876) 7.467 25.361 ( 1.509 -1.252 -0.496) 2.022 25.361 ( 1.509 1.252 -0.496) 2.022 25.473 ( 0.156 -0.106 0.180) 0.261 25.473 ( 0.156 0.106 0.180) 0.261 26.310 ( 1.390 -4.577 4.633) 6.659 26.310 ( 1.390 4.577 4.633) 6.659 26.785 ( 5.203 -3.728 -0.435) 6.415 26.785 ( 5.203 3.728 -0.435) 6.415 27.239 ( -9.440 -2.488 -10.724) 14.502 27.239 ( -9.440 2.488 -10.724) 14.502 27.415 ( -2.184 -2.402 -5.511) 6.396 27.415 ( -2.184 2.402 -5.511) 6.396 27.872 ( -0.406 -1.448 -1.130) 1.881 27.872 ( -0.406 1.448 -1.130) 1.881 27.989 ( -4.080 -2.927 2.063) 5.429 27.989 ( -4.080 2.927 2.063) 5.429 28.641 ( -0.095 -10.381 9.378) 13.991 28.641 ( -0.095 10.381 9.378) 13.991 28.993 ( -4.518 -9.696 0.180) 10.699 28.993 ( -4.518 9.696 0.180) 10.699 29.511 ( 1.443 -2.475 2.566) 3.846 29.511 ( 1.443 2.475 2.566) 3.846 29.622 ( -1.299 -2.456 0.788) 2.888 29.622 ( -1.299 2.456 0.788) 2.888 31.138 ( 1.812 -10.131 3.036) 10.730 31.138 ( 1.812 10.131 3.036) 10.730 31.935 ( 8.671 -2.937 -1.472) 9.273 31.935 ( 8.671 2.937 -1.472) 9.273 =================== 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 3/27720 10.0 738.359 641.747 709.196 0.000 186.903 0.000 3/27720 20.0 102.755 78.252 90.618 0.000 2.194 0.000 3/27720 30.0 40.649 26.723 33.124 0.000 -0.349 0.000 3/27720 40.0 23.181 14.179 18.011 0.000 -0.384 0.000 3/27720 50.0 15.694 9.259 11.932 0.000 -0.327 0.000 3/27720 60.0 11.713 6.779 8.837 0.000 -0.282 0.000 3/27720 70.0 9.305 5.325 7.007 0.000 -0.247 0.000 3/27720 80.0 7.712 4.381 5.810 0.000 -0.218 0.000 3/27720 90.0 6.589 3.724 4.969 0.000 -0.195 0.000 3/27720 100.0 5.758 3.241 4.347 0.000 -0.175 0.000 3/27720 110.0 5.120 2.873 3.867 0.000 -0.159 0.000 3/27720 120.0 4.614 2.583 3.486 0.000 -0.145 0.000 3/27720 130.0 4.204 2.348 3.176 0.000 -0.133 0.000 3/27720 140.0 3.865 2.154 2.918 0.000 -0.122 0.000 3/27720 150.0 3.579 1.992 2.701 0.000 -0.113 0.000 3/27720 160.0 3.336 1.854 2.515 0.000 -0.105 0.000 3/27720 170.0 3.125 1.735 2.355 0.000 -0.098 0.000 3/27720 180.0 2.942 1.631 2.214 0.000 -0.092 0.000 3/27720 190.0 2.780 1.540 2.090 0.000 -0.087 0.000 3/27720 200.0 2.636 1.459 1.980 0.000 -0.082 0.000 3/27720 210.0 2.508 1.388 1.882 0.000 -0.078 0.000 3/27720 220.0 2.392 1.323 1.794 0.000 -0.074 0.000 3/27720 230.0 2.287 1.265 1.714 0.000 -0.070 0.000 3/27720 240.0 2.192 1.212 1.642 0.000 -0.067 0.000 3/27720 250.0 2.105 1.164 1.575 0.000 -0.064 0.000 3/27720 260.0 2.025 1.120 1.515 0.000 -0.061 0.000 3/27720 270.0 1.951 1.080 1.459 0.000 -0.059 0.000 3/27720 280.0 1.883 1.042 1.407 0.000 -0.057 0.000 3/27720 290.0 1.820 1.008 1.360 0.000 -0.054 0.000 3/27720 300.0 1.761 0.976 1.315 0.000 -0.053 0.000 3/27720 310.0 1.706 0.946 1.274 0.000 -0.051 0.000 3/27720 320.0 1.655 0.918 1.236 0.000 -0.049 0.000 3/27720 330.0 1.606 0.892 1.199 0.000 -0.048 0.000 3/27720 340.0 1.561 0.867 1.165 0.000 -0.046 0.000 3/27720 350.0 1.518 0.844 1.134 0.000 -0.045 0.000 3/27720 360.0 1.478 0.822 1.103 0.000 -0.043 0.000 3/27720 370.0 1.440 0.801 1.075 0.000 -0.042 0.000 3/27720 380.0 1.404 0.782 1.048 0.000 -0.041 0.000 3/27720 390.0 1.369 0.763 1.022 0.000 -0.040 0.000 3/27720 400.0 1.337 0.746 0.998 0.000 -0.039 0.000 3/27720 410.0 1.306 0.729 0.975 0.000 -0.038 0.000 3/27720 420.0 1.276 0.713 0.953 0.000 -0.037 0.000 3/27720 430.0 1.248 0.697 0.932 0.000 -0.036 0.000 3/27720 440.0 1.221 0.683 0.912 0.000 -0.036 0.000 3/27720 450.0 1.195 0.669 0.893 0.000 -0.035 0.000 3/27720 460.0 1.171 0.655 0.875 0.000 -0.034 0.000 3/27720 470.0 1.147 0.643 0.857 0.000 -0.033 0.000 3/27720 480.0 1.124 0.630 0.840 0.000 -0.033 0.000 3/27720 490.0 1.102 0.618 0.824 0.000 -0.032 0.000 3/27720 500.0 1.081 0.607 0.808 0.000 -0.031 0.000 3/27720 510.0 1.061 0.596 0.793 0.000 -0.031 0.000 3/27720 520.0 1.042 0.585 0.779 0.000 -0.030 0.000 3/27720 530.0 1.023 0.575 0.765 0.000 -0.030 0.000 3/27720 540.0 1.005 0.565 0.752 0.000 -0.029 0.000 3/27720 550.0 0.987 0.556 0.739 0.000 -0.029 0.000 3/27720 560.0 0.971 0.547 0.726 0.000 -0.028 0.000 3/27720 570.0 0.954 0.538 0.714 0.000 -0.028 0.000 3/27720 580.0 0.939 0.529 0.703 0.000 -0.027 0.000 3/27720 590.0 0.923 0.521 0.691 0.000 -0.027 0.000 3/27720 600.0 0.909 0.513 0.680 0.000 -0.026 0.000 3/27720 610.0 0.894 0.505 0.670 0.000 -0.026 0.000 3/27720 620.0 0.881 0.497 0.659 0.000 -0.025 0.000 3/27720 630.0 0.867 0.490 0.650 0.000 -0.025 0.000 3/27720 640.0 0.854 0.483 0.640 0.000 -0.025 0.000 3/27720 650.0 0.842 0.476 0.630 0.000 -0.024 0.000 3/27720 660.0 0.829 0.469 0.621 0.000 -0.024 0.000 3/27720 670.0 0.817 0.463 0.613 0.000 -0.024 0.000 3/27720 680.0 0.806 0.456 0.604 0.000 -0.023 0.000 3/27720 690.0 0.795 0.450 0.596 0.000 -0.023 0.000 3/27720 700.0 0.784 0.444 0.587 0.000 -0.023 0.000 3/27720 710.0 0.773 0.438 0.580 0.000 -0.022 0.000 3/27720 720.0 0.763 0.432 0.572 0.000 -0.022 0.000 3/27720 730.0 0.753 0.427 0.564 0.000 -0.022 0.000 3/27720 740.0 0.743 0.421 0.557 0.000 -0.021 0.000 3/27720 750.0 0.733 0.416 0.550 0.000 -0.021 0.000 3/27720 760.0 0.724 0.411 0.543 0.000 -0.021 0.000 3/27720 770.0 0.715 0.406 0.536 0.000 -0.021 0.000 3/27720 780.0 0.706 0.401 0.530 0.000 -0.020 0.000 3/27720 790.0 0.697 0.396 0.523 0.000 -0.020 0.000 3/27720 800.0 0.689 0.391 0.517 0.000 -0.020 0.000 3/27720 810.0 0.681 0.387 0.511 0.000 -0.020 0.000 3/27720 820.0 0.673 0.382 0.505 0.000 -0.019 0.000 3/27720 830.0 0.665 0.378 0.499 0.000 -0.019 0.000 3/27720 840.0 0.657 0.374 0.493 0.000 -0.019 0.000 3/27720 850.0 0.650 0.370 0.488 0.000 -0.019 0.000 3/27720 860.0 0.642 0.365 0.482 0.000 -0.019 0.000 3/27720 870.0 0.635 0.361 0.477 0.000 -0.018 0.000 3/27720 880.0 0.628 0.358 0.472 0.000 -0.018 0.000 3/27720 890.0 0.621 0.354 0.466 0.000 -0.018 0.000 3/27720 900.0 0.615 0.350 0.461 0.000 -0.018 0.000 3/27720 910.0 0.608 0.346 0.457 0.000 -0.018 0.000 3/27720 920.0 0.602 0.343 0.452 0.000 -0.017 0.000 3/27720 930.0 0.595 0.339 0.447 0.000 -0.017 0.000 3/27720 940.0 0.589 0.336 0.442 0.000 -0.017 0.000 3/27720 950.0 0.583 0.332 0.438 0.000 -0.017 0.000 3/27720 960.0 0.577 0.329 0.433 0.000 -0.017 0.000 3/27720 970.0 0.571 0.326 0.429 0.000 -0.017 0.000 3/27720 980.0 0.566 0.323 0.425 0.000 -0.016 0.000 3/27720 990.0 0.560 0.319 0.421 0.000 -0.016 0.000 3/27720 1000.0 0.555 0.316 0.417 0.000 -0.016 0.000 3/27720 Thermal conductivity related properties were written into "kappa-m765.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:46:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|