----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:42:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.227440949171138 1.863363900797574 9.033479283333323 b -3.227440949171132 1.863363900797574 9.033479283333323 c 0.000000000000003 -3.726727801595154 9.033479283333323 Atomic positions (fractional): *1 Ba 0.33369455704002 0.33369455704002 0.33369455704002 137.327 2 Ba 0.66630544295998 0.66630544295998 0.66630544295998 137.327 *3 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 *4 Zr 0.51334924361176 0.25169730651015 0.88550664501840 91.224 5 Zr 0.74830269348985 0.11449335498160 0.48665075638824 91.224 6 Zr 0.11449335498160 0.48665075638824 0.74830269348985 91.224 7 Zr 0.88550664501840 0.51334924361176 0.25169730651015 91.224 8 Zr 0.25169730651015 0.88550664501840 0.51334924361176 91.224 9 Zr 0.48665075638824 0.74830269348985 0.11449335498160 91.224 *10 O 0.23435634919632 0.23435634919632 0.23435634919632 15.999 *11 O 0.68597028924352 0.21901453887996 0.96009754719017 15.999 *12 O 0.41469229012322 0.14970103927188 0.84744468404395 15.999 13 O 0.85029896072813 0.15255531595605 0.58530770987678 15.999 14 O 0.78098546112005 0.03990245280983 0.31402971075649 15.999 15 O 0.03990245280983 0.31402971075649 0.78098546112005 15.999 16 O 0.15255531595605 0.58530770987678 0.85029896072813 15.999 *17 O 0.43146869301880 0.43146869301880 0.43146869301880 15.999 18 O 0.56853130698120 0.56853130698120 0.56853130698120 15.999 19 O 0.84744468404395 0.41469229012322 0.14970103927188 15.999 20 O 0.96009754719017 0.68597028924352 0.21901453887995 15.999 21 O 0.21901453887996 0.96009754719017 0.68597028924351 15.999 22 O 0.14970103927188 0.84744468404395 0.41469229012322 15.999 23 O 0.58530770987678 0.85029896072813 0.15255531595605 15.999 24 O 0.31402971075649 0.78098546112005 0.03990245280983 15.999 25 O 0.76564365080368 0.76564365080368 0.76564365080368 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.454881898342270 0.000000000000000 0.000000000000000 b -3.227440949171135 5.590091702392728 0.000000000000000 c 0.000000000000000 0.000000000000000 27.100437849999995 Atomic positions (fractional): *1 Ba 0.33333333333333 0.66666666666667 0.00036122370668 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33297210962665 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33369455704002 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66630544295998 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66702789037335 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99963877629332 137.327 > 2 *7 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 3 *8 Zr 0.29649817856499 0.33134442002837 0.21685106504677 91.224 > 4 9 Zr 0.63182042520329 0.62983151189832 0.11648226828656 91.224 > 5 10 Zr 0.99801108669503 0.36817957479671 0.11648226828656 91.224 > 6 11 Zr 0.66865557997163 0.96515375853662 0.21685106504677 91.224 > 7 12 Zr 0.03484624146338 0.70350182143501 0.21685106504677 91.224 > 8 13 Zr 0.37016848810168 0.00198891330497 0.11648226828656 91.224 > 9 14 Zr 0.66666666666667 0.33333333333333 0.33333333333333 91.224 > 3 15 Zr 0.96316484523166 0.66467775336170 0.55018439838010 91.224 > 4 16 Zr 0.29848709186995 0.96316484523166 0.44981560161990 91.224 > 5 17 Zr 0.66467775336170 0.70151290813004 0.44981560161990 91.224 > 6 18 Zr 0.33532224663830 0.29848709186995 0.55018439838010 91.224 > 7 19 Zr 0.70151290813004 0.03683515476834 0.55018439838010 91.224 > 8 20 Zr 0.03683515476834 0.33532224663830 0.44981560161990 91.224 > 9 21 Zr 0.33333333333333 0.66666666666667 0.66666666666667 91.224 > 3 22 Zr 0.62983151189832 0.99801108669503 0.88351773171344 91.224 > 4 23 Zr 0.96515375853662 0.29649817856499 0.78314893495323 91.224 > 5 24 Zr 0.33134442002837 0.03484624146338 0.78314893495323 91.224 > 6 25 Zr 0.00198891330497 0.63182042520329 0.88351773171344 91.224 > 7 26 Zr 0.36817957479671 0.37016848810168 0.88351773171344 91.224 > 8 27 Zr 0.70350182143501 0.66865557997163 0.78314893495323 91.224 > 9 *28 O 0.00000000000000 0.00000000000000 0.23435634919632 15.999 > 10 *29 O 0.39760949747230 0.32826324458104 0.28836079177121 15.999 > 11 *30 O 0.27741295231020 0.28983465376906 0.13727933781302 15.999 > 12 31 O 0.65424496520781 0.61074628564354 0.19605399552032 15.999 > 13 32 O 0.73601291955793 0.73094283080564 0.04497254156212 15.999 > 14 33 O 0.99492991124771 0.26398708044207 0.04497254156212 15.999 > 15 34 O 0.95650132043573 0.34575503479219 0.19605399552032 15.999 > 16 *35 O 0.33333333333333 0.66666666666667 0.09813535968546 15.999 > 17 36 O 0.33333333333333 0.66666666666667 0.23519797364787 15.999 > 18 37 O 0.71016534623094 0.98757829854114 0.13727933781302 15.999 > 19 38 O 0.67173675541896 0.06934625289126 0.28836079177121 15.999 > 20 39 O 0.93065374710874 0.60239050252770 0.28836079177121 15.999 > 21 40 O 0.01242170145886 0.72258704768980 0.13727933781302 15.999 > 22 41 O 0.38925371435646 0.04349867956427 0.19605399552032 15.999 > 23 42 O 0.26905716919436 0.00507008875229 0.04497254156212 15.999 > 24 43 O 0.66666666666667 0.33333333333333 0.09897698413701 15.999 > 25 44 O 0.66666666666667 0.33333333333333 0.56768968252965 15.999 > 10 45 O 0.06427616413897 0.66159657791438 0.62169412510455 15.999 > 11 46 O 0.94407961897687 0.62316798710240 0.47061267114635 15.999 > 12 47 O 0.32091163187447 0.94407961897687 0.52938732885365 15.999 > 13 48 O 0.40267958622459 0.06427616413897 0.37830587489545 15.999 > 14 49 O 0.66159657791438 0.59732041377541 0.37830587489545 15.999 > 15 50 O 0.62316798710240 0.67908836812553 0.52938732885365 15.999 > 16 51 O 0.00000000000000 0.00000000000000 0.43146869301880 15.999 > 17 52 O 0.00000000000000 0.00000000000000 0.56853130698120 15.999 > 18 53 O 0.37683201289760 0.32091163187447 0.47061267114635 15.999 > 19 54 O 0.33840342208562 0.40267958622459 0.62169412510455 15.999 > 20 55 O 0.59732041377541 0.93572383586103 0.62169412510455 15.999 > 21 56 O 0.67908836812553 0.05592038102313 0.47061267114635 15.999 > 22 57 O 0.05592038102313 0.37683201289760 0.52938732885365 15.999 > 23 58 O 0.93572383586103 0.33840342208562 0.37830587489545 15.999 > 24 59 O 0.33333333333333 0.66666666666667 0.43231031747035 15.999 > 25 60 O 0.33333333333333 0.66666666666667 0.90102301586299 15.999 > 10 61 O 0.73094283080564 0.99492991124771 0.95502745843788 15.999 > 11 62 O 0.61074628564354 0.95650132043573 0.80394600447968 15.999 > 12 63 O 0.98757829854114 0.27741295231020 0.86272066218698 15.999 > 13 64 O 0.06934625289126 0.39760949747230 0.71163920822879 15.999 > 14 65 O 0.32826324458104 0.93065374710874 0.71163920822879 15.999 > 15 66 O 0.28983465376906 0.01242170145886 0.86272066218698 15.999 > 16 67 O 0.66666666666667 0.33333333333333 0.76480202635213 15.999 > 17 68 O 0.66666666666667 0.33333333333333 0.90186464031454 15.999 > 18 69 O 0.04349867956427 0.65424496520781 0.80394600447968 15.999 > 19 70 O 0.00507008875229 0.73601291955793 0.95502745843788 15.999 > 20 71 O 0.26398708044207 0.26905716919436 0.95502745843788 15.999 > 21 72 O 0.34575503479219 0.38925371435646 0.80394600447968 15.999 > 22 73 O 0.72258704768980 0.71016534623094 0.86272066218698 15.999 > 23 74 O 0.60239050252770 0.67173675541896 0.71163920822879 15.999 > 24 75 O 0.00000000000000 0.00000000000000 0.76564365080368 15.999 > 25 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.454881898342270 0.000000000000000 0.000000000000000 b -3.227440949171135 5.590091702392728 0.000000000000000 c 0.000000000000000 0.000000000000000 27.100437849999995 Atomic positions (fractional): *1 Ba 0.33333333333333 0.66666666666667 0.00036122370668 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33297210962665 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33369455704002 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66630544295998 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66702789037335 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99963877629332 137.327 > 2 *7 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 3 *8 Zr 0.29649817856499 0.33134442002837 0.21685106504677 91.224 > 4 9 Zr 0.63182042520329 0.62983151189832 0.11648226828656 91.224 > 5 10 Zr 0.99801108669503 0.36817957479671 0.11648226828656 91.224 > 6 11 Zr 0.66865557997163 0.96515375853662 0.21685106504677 91.224 > 7 12 Zr 0.03484624146338 0.70350182143501 0.21685106504677 91.224 > 8 13 Zr 0.37016848810168 0.00198891330497 0.11648226828656 91.224 > 9 14 Zr 0.66666666666667 0.33333333333333 0.33333333333333 91.224 > 3 15 Zr 0.96316484523166 0.66467775336170 0.55018439838010 91.224 > 4 16 Zr 0.29848709186995 0.96316484523166 0.44981560161990 91.224 > 5 17 Zr 0.66467775336170 0.70151290813004 0.44981560161990 91.224 > 6 18 Zr 0.33532224663830 0.29848709186995 0.55018439838010 91.224 > 7 19 Zr 0.70151290813004 0.03683515476834 0.55018439838010 91.224 > 8 20 Zr 0.03683515476834 0.33532224663830 0.44981560161990 91.224 > 9 21 Zr 0.33333333333333 0.66666666666667 0.66666666666667 91.224 > 3 22 Zr 0.62983151189832 0.99801108669503 0.88351773171344 91.224 > 4 23 Zr 0.96515375853662 0.29649817856499 0.78314893495323 91.224 > 5 24 Zr 0.33134442002837 0.03484624146338 0.78314893495323 91.224 > 6 25 Zr 0.00198891330497 0.63182042520329 0.88351773171344 91.224 > 7 26 Zr 0.36817957479671 0.37016848810168 0.88351773171344 91.224 > 8 27 Zr 0.70350182143501 0.66865557997163 0.78314893495323 91.224 > 9 *28 O 0.00000000000000 0.00000000000000 0.23435634919632 15.999 > 10 *29 O 0.39760949747230 0.32826324458104 0.28836079177121 15.999 > 11 *30 O 0.27741295231020 0.28983465376906 0.13727933781302 15.999 > 12 31 O 0.65424496520781 0.61074628564354 0.19605399552032 15.999 > 13 32 O 0.73601291955793 0.73094283080564 0.04497254156212 15.999 > 14 33 O 0.99492991124771 0.26398708044207 0.04497254156212 15.999 > 15 34 O 0.95650132043573 0.34575503479219 0.19605399552032 15.999 > 16 *35 O 0.33333333333333 0.66666666666667 0.09813535968546 15.999 > 17 36 O 0.33333333333333 0.66666666666667 0.23519797364787 15.999 > 18 37 O 0.71016534623094 0.98757829854114 0.13727933781302 15.999 > 19 38 O 0.67173675541896 0.06934625289126 0.28836079177121 15.999 > 20 39 O 0.93065374710874 0.60239050252770 0.28836079177121 15.999 > 21 40 O 0.01242170145886 0.72258704768980 0.13727933781302 15.999 > 22 41 O 0.38925371435646 0.04349867956427 0.19605399552032 15.999 > 23 42 O 0.26905716919436 0.00507008875229 0.04497254156212 15.999 > 24 43 O 0.66666666666667 0.33333333333333 0.09897698413701 15.999 > 25 44 O 0.66666666666667 0.33333333333333 0.56768968252965 15.999 > 10 45 O 0.06427616413897 0.66159657791438 0.62169412510455 15.999 > 11 46 O 0.94407961897687 0.62316798710240 0.47061267114635 15.999 > 12 47 O 0.32091163187447 0.94407961897687 0.52938732885365 15.999 > 13 48 O 0.40267958622459 0.06427616413897 0.37830587489545 15.999 > 14 49 O 0.66159657791438 0.59732041377541 0.37830587489545 15.999 > 15 50 O 0.62316798710240 0.67908836812553 0.52938732885365 15.999 > 16 51 O 0.00000000000000 0.00000000000000 0.43146869301880 15.999 > 17 52 O 0.00000000000000 0.00000000000000 0.56853130698120 15.999 > 18 53 O 0.37683201289760 0.32091163187447 0.47061267114635 15.999 > 19 54 O 0.33840342208562 0.40267958622459 0.62169412510455 15.999 > 20 55 O 0.59732041377541 0.93572383586103 0.62169412510455 15.999 > 21 56 O 0.67908836812553 0.05592038102313 0.47061267114635 15.999 > 22 57 O 0.05592038102313 0.37683201289760 0.52938732885365 15.999 > 23 58 O 0.93572383586103 0.33840342208562 0.37830587489545 15.999 > 24 59 O 0.33333333333333 0.66666666666667 0.43231031747035 15.999 > 25 60 O 0.33333333333333 0.66666666666667 0.90102301586299 15.999 > 10 61 O 0.73094283080564 0.99492991124771 0.95502745843788 15.999 > 11 62 O 0.61074628564354 0.95650132043573 0.80394600447968 15.999 > 12 63 O 0.98757829854114 0.27741295231020 0.86272066218698 15.999 > 13 64 O 0.06934625289126 0.39760949747230 0.71163920822879 15.999 > 14 65 O 0.32826324458104 0.93065374710874 0.71163920822879 15.999 > 15 66 O 0.28983465376906 0.01242170145886 0.86272066218698 15.999 > 16 67 O 0.66666666666667 0.33333333333333 0.76480202635213 15.999 > 17 68 O 0.66666666666667 0.33333333333333 0.90186464031454 15.999 > 18 69 O 0.04349867956427 0.65424496520781 0.80394600447968 15.999 > 19 70 O 0.00507008875229 0.73601291955793 0.95502745843788 15.999 > 20 71 O 0.26398708044207 0.26905716919436 0.95502745843788 15.999 > 21 72 O 0.34575503479219 0.38925371435646 0.80394600447968 15.999 > 22 73 O 0.72258704768980 0.71016534623094 0.86272066218698 15.999 > 23 74 O 0.60239050252770 0.67173675541896 0.71163920822879 15.999 > 24 75 O 0.00000000000000 0.00000000000000 0.76564365080368 15.999 > 25 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9101816 -0.0000012 0.0000000 0.0000012 4.9101816 0.0000000 0.0000000 0.0000000 5.2159276 -------------------------- Born effective charges -------------------------- 1 Ba 2.5753934 -0.0003798 0.0000000 0.0003798 2.5753934 -0.0000000 -0.0000000 0.0000000 3.1310133 2 Ba 2.5753934 -0.0003798 0.0000000 0.0003798 2.5753934 -0.0000000 -0.0000000 0.0000000 3.1310133 3 Zr 5.7865695 0.0465665 0.0000000 -0.0465665 5.7865695 -0.0000000 -0.0000000 0.0000000 6.6920728 4 Zr 4.3934807 0.1082752 0.4321335 0.1167715 5.9378649 -0.1100070 0.3792675 -0.0097784 5.4381327 5 Zr 5.4543208 -0.7292478 -0.3113356 -0.7207515 4.8770249 -0.3192350 -0.1981021 -0.3235661 5.4381327 6 Zr 5.6492169 0.6082281 -0.1207978 0.6167244 4.6821287 0.4292421 -0.1811654 0.3333445 5.4381327 7 Zr 5.6492169 0.6082281 -0.1207978 0.6167244 4.6821287 0.4292421 -0.1811654 0.3333445 5.4381327 8 Zr 5.4543208 -0.7292478 -0.3113356 -0.7207515 4.8770249 -0.3192350 -0.1981021 -0.3235661 5.4381327 9 Zr 4.3934807 0.1082752 0.4321335 0.1167715 5.9378649 -0.1100070 0.3792675 -0.0097784 5.4381327 10 O -3.2960194 -0.1591177 0.0000000 0.1591177 -3.2960194 -0.0000000 -0.0000000 0.0000000 -1.7568382 11 O -2.7888366 -0.0382723 -1.2581906 -0.0200598 -1.7492048 0.0330835 -1.2506553 0.0270812 -3.9346057 12 O -2.9000666 0.3205849 -0.1282141 0.3240086 -2.3243732 -0.0168318 0.0196277 0.0478388 -2.4789342 13 O -2.7474137 -0.4121427 0.0495302 -0.4087191 -2.4770261 0.1194526 0.0316158 -0.0409175 -2.4789342 14 O -1.9838542 -0.4446970 0.6577464 -0.4264845 -2.5541872 1.0730833 0.6487806 1.0695586 -3.9346057 15 O -2.0343713 0.4556505 0.6004441 0.4738631 -2.5036701 -1.1061667 0.6018746 -1.0966398 -3.9346057 16 O -2.1891794 0.0864223 0.0786838 0.0898460 -3.0352604 -0.1026207 -0.0512435 -0.0069213 -2.4789342 17 O -3.0259553 0.1814130 0.0000000 -0.1814130 -3.0259553 -0.0000000 -0.0000000 0.0000000 -1.7939901 18 O -3.0259553 0.1814130 0.0000000 -0.1814130 -3.0259553 -0.0000000 -0.0000000 0.0000000 -1.7939901 19 O -2.1891794 0.0864223 0.0786838 0.0898460 -3.0352604 -0.1026207 -0.0512435 -0.0069213 -2.4789342 20 O -2.0343713 0.4556505 0.6004441 0.4738631 -2.5036701 -1.1061667 0.6018746 -1.0966398 -3.9346057 21 O -1.9838542 -0.4446970 0.6577464 -0.4264845 -2.5541872 1.0730833 0.6487806 1.0695586 -3.9346057 22 O -2.7474137 -0.4121427 0.0495302 -0.4087191 -2.4770261 0.1194526 0.0316158 -0.0409175 -2.4789342 23 O -2.9000666 0.3205849 -0.1282141 0.3240086 -2.3243732 -0.0168318 0.0196277 0.0478388 -2.4789342 24 O -2.7888366 -0.0382723 -1.2581906 -0.0200598 -1.7492048 0.0330835 -1.2506553 0.0270812 -3.9346057 25 O -3.2960194 -0.1591177 0.0000000 0.1591177 -3.2960194 -0.0000000 -0.0000000 0.0000000 -1.7568382 ---------------------------------------------------------------------------- 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: 225/225 Permutation basis: 11181/11181 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1432 Number of blocks in projector: 749 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 662 / 662 (1) 148 eigenvectors found. (1) Complementary block size: 33 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1432, 1394), data: False |-- (194, 187), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 643), data: False |-- (662, 14), data: (662, 33) @ (33, 14) |-- (162, 148), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 75 / 75 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 1.298 Solver_block: 200 / 560 - Time: 1.262 Solver_block: 300 / 560 - Time: 1.265 Solver_block: 400 / 560 - Time: 1.266 Solver_block: 500 / 560 - Time: 1.265 Solver_block: 560 / 560 - Time: 0.805 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.198 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 225/225 Permutation basis: 11181/11181 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1432 Number of blocks in projector: 749 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 662 / 662 (1) 148 eigenvectors found. (1) Complementary block size: 33 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1432, 1394), data: False |-- (194, 187), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 643), data: False |-- (662, 14), data: (662, 33) @ (33, 14) |-- (162, 148), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:42:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:42:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.227440949171138 1.863363900797574 9.033479283333323 b -3.227440949171132 1.863363900797574 9.033479283333323 c 0.000000000000003 -3.726727801595154 9.033479283333323 Atomic positions (fractional): 1 Ba 0.33369455704002 0.33369455704002 0.33369455704002 137.327 2 Ba 0.66630544295998 0.66630544295998 0.66630544295998 137.327 3 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 4 Zr 0.51334924361176 0.25169730651015 0.88550664501840 91.224 5 Zr 0.74830269348985 0.11449335498160 0.48665075638824 91.224 6 Zr 0.11449335498160 0.48665075638824 0.74830269348985 91.224 7 Zr 0.88550664501840 0.51334924361176 0.25169730651015 91.224 8 Zr 0.25169730651015 0.88550664501840 0.51334924361176 91.224 9 Zr 0.48665075638824 0.74830269348985 0.11449335498160 91.224 10 O 0.23435634919632 0.23435634919632 0.23435634919632 15.999 11 O 0.68597028924352 0.21901453887996 0.96009754719017 15.999 12 O 0.41469229012322 0.14970103927188 0.84744468404395 15.999 13 O 0.85029896072813 0.15255531595605 0.58530770987678 15.999 14 O 0.78098546112005 0.03990245280983 0.31402971075649 15.999 15 O 0.03990245280983 0.31402971075649 0.78098546112005 15.999 16 O 0.15255531595605 0.58530770987678 0.85029896072813 15.999 17 O 0.43146869301880 0.43146869301880 0.43146869301880 15.999 18 O 0.56853130698120 0.56853130698120 0.56853130698120 15.999 19 O 0.84744468404395 0.41469229012322 0.14970103927188 15.999 20 O 0.96009754719017 0.68597028924352 0.21901453887995 15.999 21 O 0.21901453887996 0.96009754719017 0.68597028924351 15.999 22 O 0.14970103927188 0.84744468404395 0.41469229012322 15.999 23 O 0.58530770987678 0.85029896072813 0.15255531595605 15.999 24 O 0.31402971075649 0.78098546112005 0.03990245280983 15.999 25 O 0.76564365080368 0.76564365080368 0.76564365080368 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.454881898342270 0.000000000000000 0.000000000000000 b -3.227440949171135 5.590091702392728 0.000000000000000 c 0.000000000000000 0.000000000000000 27.100437849999995 Atomic positions (fractional): 1 Ba 0.33333333333333 0.66666666666667 0.00036122370668 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33297210962665 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33369455704002 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66630544295998 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66702789037335 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99963877629332 137.327 > 2 7 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 7 8 Zr 0.29649817856499 0.33134442002837 0.21685106504677 91.224 > 8 9 Zr 0.63182042520329 0.62983151189832 0.11648226828656 91.224 > 9 10 Zr 0.99801108669503 0.36817957479671 0.11648226828656 91.224 > 10 11 Zr 0.66865557997163 0.96515375853662 0.21685106504677 91.224 > 11 12 Zr 0.03484624146338 0.70350182143501 0.21685106504677 91.224 > 12 13 Zr 0.37016848810168 0.00198891330497 0.11648226828656 91.224 > 13 14 Zr 0.66666666666667 0.33333333333333 0.33333333333333 91.224 > 7 15 Zr 0.96316484523166 0.66467775336170 0.55018439838010 91.224 > 8 16 Zr 0.29848709186995 0.96316484523166 0.44981560161990 91.224 > 9 17 Zr 0.66467775336170 0.70151290813004 0.44981560161990 91.224 > 10 18 Zr 0.33532224663830 0.29848709186995 0.55018439838010 91.224 > 11 19 Zr 0.70151290813004 0.03683515476834 0.55018439838010 91.224 > 12 20 Zr 0.03683515476834 0.33532224663830 0.44981560161990 91.224 > 13 21 Zr 0.33333333333333 0.66666666666667 0.66666666666667 91.224 > 7 22 Zr 0.62983151189832 0.99801108669503 0.88351773171344 91.224 > 8 23 Zr 0.96515375853662 0.29649817856499 0.78314893495323 91.224 > 9 24 Zr 0.33134442002837 0.03484624146338 0.78314893495323 91.224 > 10 25 Zr 0.00198891330497 0.63182042520329 0.88351773171344 91.224 > 11 26 Zr 0.36817957479671 0.37016848810168 0.88351773171344 91.224 > 12 27 Zr 0.70350182143501 0.66865557997163 0.78314893495323 91.224 > 13 28 O 0.00000000000000 0.00000000000000 0.23435634919632 15.999 > 28 29 O 0.39760949747230 0.32826324458104 0.28836079177121 15.999 > 29 30 O 0.27741295231020 0.28983465376906 0.13727933781302 15.999 > 30 31 O 0.65424496520781 0.61074628564354 0.19605399552032 15.999 > 31 32 O 0.73601291955793 0.73094283080564 0.04497254156212 15.999 > 32 33 O 0.99492991124771 0.26398708044207 0.04497254156212 15.999 > 33 34 O 0.95650132043573 0.34575503479219 0.19605399552032 15.999 > 34 35 O 0.33333333333333 0.66666666666667 0.09813535968546 15.999 > 35 36 O 0.33333333333333 0.66666666666667 0.23519797364787 15.999 > 36 37 O 0.71016534623094 0.98757829854114 0.13727933781302 15.999 > 37 38 O 0.67173675541896 0.06934625289126 0.28836079177121 15.999 > 38 39 O 0.93065374710874 0.60239050252770 0.28836079177121 15.999 > 39 40 O 0.01242170145886 0.72258704768980 0.13727933781302 15.999 > 40 41 O 0.38925371435646 0.04349867956427 0.19605399552032 15.999 > 41 42 O 0.26905716919436 0.00507008875229 0.04497254156212 15.999 > 42 43 O 0.66666666666667 0.33333333333333 0.09897698413701 15.999 > 43 44 O 0.66666666666667 0.33333333333333 0.56768968252965 15.999 > 28 45 O 0.06427616413897 0.66159657791438 0.62169412510455 15.999 > 29 46 O 0.94407961897687 0.62316798710240 0.47061267114635 15.999 > 30 47 O 0.32091163187447 0.94407961897687 0.52938732885365 15.999 > 31 48 O 0.40267958622459 0.06427616413897 0.37830587489545 15.999 > 32 49 O 0.66159657791438 0.59732041377541 0.37830587489545 15.999 > 33 50 O 0.62316798710240 0.67908836812553 0.52938732885365 15.999 > 34 51 O 0.00000000000000 0.00000000000000 0.43146869301880 15.999 > 35 52 O 0.00000000000000 0.00000000000000 0.56853130698120 15.999 > 36 53 O 0.37683201289760 0.32091163187447 0.47061267114635 15.999 > 37 54 O 0.33840342208562 0.40267958622459 0.62169412510455 15.999 > 38 55 O 0.59732041377541 0.93572383586103 0.62169412510455 15.999 > 39 56 O 0.67908836812553 0.05592038102313 0.47061267114635 15.999 > 40 57 O 0.05592038102313 0.37683201289760 0.52938732885365 15.999 > 41 58 O 0.93572383586103 0.33840342208562 0.37830587489545 15.999 > 42 59 O 0.33333333333333 0.66666666666667 0.43231031747035 15.999 > 43 60 O 0.33333333333333 0.66666666666667 0.90102301586299 15.999 > 28 61 O 0.73094283080564 0.99492991124771 0.95502745843788 15.999 > 29 62 O 0.61074628564354 0.95650132043573 0.80394600447968 15.999 > 30 63 O 0.98757829854114 0.27741295231020 0.86272066218698 15.999 > 31 64 O 0.06934625289126 0.39760949747230 0.71163920822879 15.999 > 32 65 O 0.32826324458104 0.93065374710874 0.71163920822879 15.999 > 33 66 O 0.28983465376906 0.01242170145886 0.86272066218698 15.999 > 34 67 O 0.66666666666667 0.33333333333333 0.76480202635213 15.999 > 35 68 O 0.66666666666667 0.33333333333333 0.90186464031454 15.999 > 36 69 O 0.04349867956427 0.65424496520781 0.80394600447968 15.999 > 37 70 O 0.00507008875229 0.73601291955793 0.95502745843788 15.999 > 38 71 O 0.26398708044207 0.26905716919436 0.95502745843788 15.999 > 39 72 O 0.34575503479219 0.38925371435646 0.80394600447968 15.999 > 40 73 O 0.72258704768980 0.71016534623094 0.86272066218698 15.999 > 41 74 O 0.60239050252770 0.67173675541896 0.71163920822879 15.999 > 42 75 O 0.00000000000000 0.00000000000000 0.76564365080368 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9101816 -0.0000012 0.0000000 0.0000012 4.9101816 0.0000000 0.0000000 0.0000000 5.2159276 -------------------------- Born effective charges -------------------------- 1 Ba 2.5753934 -0.0003798 0.0000000 0.0003798 2.5753934 -0.0000000 -0.0000000 0.0000000 3.1310133 2 Ba 2.5753934 -0.0003798 0.0000000 0.0003798 2.5753934 -0.0000000 -0.0000000 0.0000000 3.1310133 3 Zr 5.7865695 0.0465665 0.0000000 -0.0465665 5.7865695 -0.0000000 -0.0000000 0.0000000 6.6920728 4 Zr 4.3934807 0.1082752 0.4321335 0.1167715 5.9378649 -0.1100070 0.3792675 -0.0097784 5.4381327 5 Zr 5.4543208 -0.7292478 -0.3113356 -0.7207515 4.8770249 -0.3192350 -0.1981021 -0.3235661 5.4381327 6 Zr 5.6492169 0.6082281 -0.1207978 0.6167244 4.6821287 0.4292421 -0.1811654 0.3333445 5.4381327 7 Zr 5.6492169 0.6082281 -0.1207978 0.6167244 4.6821287 0.4292421 -0.1811654 0.3333445 5.4381327 8 Zr 5.4543208 -0.7292478 -0.3113356 -0.7207515 4.8770249 -0.3192350 -0.1981021 -0.3235661 5.4381327 9 Zr 4.3934807 0.1082752 0.4321335 0.1167715 5.9378649 -0.1100070 0.3792675 -0.0097784 5.4381327 10 O -3.2960194 -0.1591177 0.0000000 0.1591177 -3.2960194 -0.0000000 -0.0000000 0.0000000 -1.7568382 11 O -2.7888366 -0.0382723 -1.2581906 -0.0200598 -1.7492048 0.0330835 -1.2506553 0.0270812 -3.9346057 12 O -2.9000666 0.3205849 -0.1282141 0.3240086 -2.3243732 -0.0168318 0.0196277 0.0478388 -2.4789342 13 O -2.7474137 -0.4121427 0.0495302 -0.4087191 -2.4770261 0.1194526 0.0316158 -0.0409175 -2.4789342 14 O -1.9838542 -0.4446970 0.6577464 -0.4264845 -2.5541872 1.0730833 0.6487806 1.0695586 -3.9346057 15 O -2.0343713 0.4556505 0.6004441 0.4738631 -2.5036701 -1.1061667 0.6018746 -1.0966398 -3.9346057 16 O -2.1891794 0.0864223 0.0786838 0.0898460 -3.0352604 -0.1026207 -0.0512435 -0.0069213 -2.4789342 17 O -3.0259553 0.1814130 0.0000000 -0.1814130 -3.0259553 -0.0000000 -0.0000000 0.0000000 -1.7939901 18 O -3.0259553 0.1814130 0.0000000 -0.1814130 -3.0259553 -0.0000000 -0.0000000 0.0000000 -1.7939901 19 O -2.1891794 0.0864223 0.0786838 0.0898460 -3.0352604 -0.1026207 -0.0512435 -0.0069213 -2.4789342 20 O -2.0343713 0.4556505 0.6004441 0.4738631 -2.5036701 -1.1061667 0.6018746 -1.0966398 -3.9346057 21 O -1.9838542 -0.4446970 0.6577464 -0.4264845 -2.5541872 1.0730833 0.6487806 1.0695586 -3.9346057 22 O -2.7474137 -0.4121427 0.0495302 -0.4087191 -2.4770261 0.1194526 0.0316158 -0.0409175 -2.4789342 23 O -2.9000666 0.3205849 -0.1282141 0.3240086 -2.3243732 -0.0168318 0.0196277 0.0478388 -2.4789342 24 O -2.7888366 -0.0382723 -1.2581906 -0.0200598 -1.7492048 0.0330835 -1.2506553 0.0270812 -3.9346057 25 O -3.2960194 -0.1591177 0.0000000 0.1591177 -3.2960194 -0.0000000 -0.0000000 0.0000000 -1.7568382 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 8, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 30, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-09 01:42:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:42:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.227440949171138 1.863363900797574 9.033479283333323 b -3.227440949171132 1.863363900797574 9.033479283333323 c 0.000000000000003 -3.726727801595154 9.033479283333323 Atomic positions (fractional): 1 Ba 0.33369455704002 0.33369455704002 0.33369455704002 137.327 2 Ba 0.66630544295998 0.66630544295998 0.66630544295998 137.327 3 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 4 Zr 0.51334924361176 0.25169730651015 0.88550664501840 91.224 5 Zr 0.74830269348985 0.11449335498160 0.48665075638824 91.224 6 Zr 0.11449335498160 0.48665075638824 0.74830269348985 91.224 7 Zr 0.88550664501840 0.51334924361176 0.25169730651015 91.224 8 Zr 0.25169730651015 0.88550664501840 0.51334924361176 91.224 9 Zr 0.48665075638824 0.74830269348985 0.11449335498160 91.224 10 O 0.23435634919632 0.23435634919632 0.23435634919632 15.999 11 O 0.68597028924352 0.21901453887996 0.96009754719017 15.999 12 O 0.41469229012322 0.14970103927188 0.84744468404395 15.999 13 O 0.85029896072813 0.15255531595605 0.58530770987678 15.999 14 O 0.78098546112005 0.03990245280983 0.31402971075649 15.999 15 O 0.03990245280983 0.31402971075649 0.78098546112005 15.999 16 O 0.15255531595605 0.58530770987678 0.85029896072813 15.999 17 O 0.43146869301880 0.43146869301880 0.43146869301880 15.999 18 O 0.56853130698120 0.56853130698120 0.56853130698120 15.999 19 O 0.84744468404395 0.41469229012322 0.14970103927188 15.999 20 O 0.96009754719017 0.68597028924352 0.21901453887995 15.999 21 O 0.21901453887996 0.96009754719017 0.68597028924351 15.999 22 O 0.14970103927188 0.84744468404395 0.41469229012322 15.999 23 O 0.58530770987678 0.85029896072813 0.15255531595605 15.999 24 O 0.31402971075649 0.78098546112005 0.03990245280983 15.999 25 O 0.76564365080368 0.76564365080368 0.76564365080368 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.454881898342270 0.000000000000000 0.000000000000000 b -3.227440949171135 5.590091702392728 0.000000000000000 c 0.000000000000000 0.000000000000000 27.100437849999995 Atomic positions (fractional): 1 Ba 0.33333333333333 0.66666666666667 0.00036122370668 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33297210962665 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33369455704002 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66630544295998 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66702789037335 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99963877629332 137.327 > 2 7 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 7 8 Zr 0.29649817856499 0.33134442002837 0.21685106504677 91.224 > 8 9 Zr 0.63182042520329 0.62983151189832 0.11648226828656 91.224 > 9 10 Zr 0.99801108669503 0.36817957479671 0.11648226828656 91.224 > 10 11 Zr 0.66865557997163 0.96515375853662 0.21685106504677 91.224 > 11 12 Zr 0.03484624146338 0.70350182143501 0.21685106504677 91.224 > 12 13 Zr 0.37016848810168 0.00198891330497 0.11648226828656 91.224 > 13 14 Zr 0.66666666666667 0.33333333333333 0.33333333333333 91.224 > 7 15 Zr 0.96316484523166 0.66467775336170 0.55018439838010 91.224 > 8 16 Zr 0.29848709186995 0.96316484523166 0.44981560161990 91.224 > 9 17 Zr 0.66467775336170 0.70151290813004 0.44981560161990 91.224 > 10 18 Zr 0.33532224663830 0.29848709186995 0.55018439838010 91.224 > 11 19 Zr 0.70151290813004 0.03683515476834 0.55018439838010 91.224 > 12 20 Zr 0.03683515476834 0.33532224663830 0.44981560161990 91.224 > 13 21 Zr 0.33333333333333 0.66666666666667 0.66666666666667 91.224 > 7 22 Zr 0.62983151189832 0.99801108669503 0.88351773171344 91.224 > 8 23 Zr 0.96515375853662 0.29649817856499 0.78314893495323 91.224 > 9 24 Zr 0.33134442002837 0.03484624146338 0.78314893495323 91.224 > 10 25 Zr 0.00198891330497 0.63182042520329 0.88351773171344 91.224 > 11 26 Zr 0.36817957479671 0.37016848810168 0.88351773171344 91.224 > 12 27 Zr 0.70350182143501 0.66865557997163 0.78314893495323 91.224 > 13 28 O 0.00000000000000 0.00000000000000 0.23435634919632 15.999 > 28 29 O 0.39760949747230 0.32826324458104 0.28836079177121 15.999 > 29 30 O 0.27741295231020 0.28983465376906 0.13727933781302 15.999 > 30 31 O 0.65424496520781 0.61074628564354 0.19605399552032 15.999 > 31 32 O 0.73601291955793 0.73094283080564 0.04497254156212 15.999 > 32 33 O 0.99492991124771 0.26398708044207 0.04497254156212 15.999 > 33 34 O 0.95650132043573 0.34575503479219 0.19605399552032 15.999 > 34 35 O 0.33333333333333 0.66666666666667 0.09813535968546 15.999 > 35 36 O 0.33333333333333 0.66666666666667 0.23519797364787 15.999 > 36 37 O 0.71016534623094 0.98757829854114 0.13727933781302 15.999 > 37 38 O 0.67173675541896 0.06934625289126 0.28836079177121 15.999 > 38 39 O 0.93065374710874 0.60239050252770 0.28836079177121 15.999 > 39 40 O 0.01242170145886 0.72258704768980 0.13727933781302 15.999 > 40 41 O 0.38925371435646 0.04349867956427 0.19605399552032 15.999 > 41 42 O 0.26905716919436 0.00507008875229 0.04497254156212 15.999 > 42 43 O 0.66666666666667 0.33333333333333 0.09897698413701 15.999 > 43 44 O 0.66666666666667 0.33333333333333 0.56768968252965 15.999 > 28 45 O 0.06427616413897 0.66159657791438 0.62169412510455 15.999 > 29 46 O 0.94407961897687 0.62316798710240 0.47061267114635 15.999 > 30 47 O 0.32091163187447 0.94407961897687 0.52938732885365 15.999 > 31 48 O 0.40267958622459 0.06427616413897 0.37830587489545 15.999 > 32 49 O 0.66159657791438 0.59732041377541 0.37830587489545 15.999 > 33 50 O 0.62316798710240 0.67908836812553 0.52938732885365 15.999 > 34 51 O 0.00000000000000 0.00000000000000 0.43146869301880 15.999 > 35 52 O 0.00000000000000 0.00000000000000 0.56853130698120 15.999 > 36 53 O 0.37683201289760 0.32091163187447 0.47061267114635 15.999 > 37 54 O 0.33840342208562 0.40267958622459 0.62169412510455 15.999 > 38 55 O 0.59732041377541 0.93572383586103 0.62169412510455 15.999 > 39 56 O 0.67908836812553 0.05592038102313 0.47061267114635 15.999 > 40 57 O 0.05592038102313 0.37683201289760 0.52938732885365 15.999 > 41 58 O 0.93572383586103 0.33840342208562 0.37830587489545 15.999 > 42 59 O 0.33333333333333 0.66666666666667 0.43231031747035 15.999 > 43 60 O 0.33333333333333 0.66666666666667 0.90102301586299 15.999 > 28 61 O 0.73094283080564 0.99492991124771 0.95502745843788 15.999 > 29 62 O 0.61074628564354 0.95650132043573 0.80394600447968 15.999 > 30 63 O 0.98757829854114 0.27741295231020 0.86272066218698 15.999 > 31 64 O 0.06934625289126 0.39760949747230 0.71163920822879 15.999 > 32 65 O 0.32826324458104 0.93065374710874 0.71163920822879 15.999 > 33 66 O 0.28983465376906 0.01242170145886 0.86272066218698 15.999 > 34 67 O 0.66666666666667 0.33333333333333 0.76480202635213 15.999 > 35 68 O 0.66666666666667 0.33333333333333 0.90186464031454 15.999 > 36 69 O 0.04349867956427 0.65424496520781 0.80394600447968 15.999 > 37 70 O 0.00507008875229 0.73601291955793 0.95502745843788 15.999 > 38 71 O 0.26398708044207 0.26905716919436 0.95502745843788 15.999 > 39 72 O 0.34575503479219 0.38925371435646 0.80394600447968 15.999 > 40 73 O 0.72258704768980 0.71016534623094 0.86272066218698 15.999 > 41 74 O 0.60239050252770 0.67173675541896 0.71163920822879 15.999 > 42 75 O 0.00000000000000 0.00000000000000 0.76564365080368 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9101816 -0.0000012 0.0000000 0.0000012 4.9101816 0.0000000 0.0000000 0.0000000 5.2159276 -------------------------- Born effective charges -------------------------- 1 Ba 2.5753934 -0.0003798 0.0000000 0.0003798 2.5753934 -0.0000000 -0.0000000 0.0000000 3.1310133 2 Ba 2.5753934 -0.0003798 0.0000000 0.0003798 2.5753934 -0.0000000 -0.0000000 0.0000000 3.1310133 3 Zr 5.7865695 0.0465665 0.0000000 -0.0465665 5.7865695 -0.0000000 -0.0000000 0.0000000 6.6920728 4 Zr 4.3934807 0.1082752 0.4321335 0.1167715 5.9378649 -0.1100070 0.3792675 -0.0097784 5.4381327 5 Zr 5.4543208 -0.7292478 -0.3113356 -0.7207515 4.8770249 -0.3192350 -0.1981021 -0.3235661 5.4381327 6 Zr 5.6492169 0.6082281 -0.1207978 0.6167244 4.6821287 0.4292421 -0.1811654 0.3333445 5.4381327 7 Zr 5.6492169 0.6082281 -0.1207978 0.6167244 4.6821287 0.4292421 -0.1811654 0.3333445 5.4381327 8 Zr 5.4543208 -0.7292478 -0.3113356 -0.7207515 4.8770249 -0.3192350 -0.1981021 -0.3235661 5.4381327 9 Zr 4.3934807 0.1082752 0.4321335 0.1167715 5.9378649 -0.1100070 0.3792675 -0.0097784 5.4381327 10 O -3.2960194 -0.1591177 0.0000000 0.1591177 -3.2960194 -0.0000000 -0.0000000 0.0000000 -1.7568382 11 O -2.7888366 -0.0382723 -1.2581906 -0.0200598 -1.7492048 0.0330835 -1.2506553 0.0270812 -3.9346057 12 O -2.9000666 0.3205849 -0.1282141 0.3240086 -2.3243732 -0.0168318 0.0196277 0.0478388 -2.4789342 13 O -2.7474137 -0.4121427 0.0495302 -0.4087191 -2.4770261 0.1194526 0.0316158 -0.0409175 -2.4789342 14 O -1.9838542 -0.4446970 0.6577464 -0.4264845 -2.5541872 1.0730833 0.6487806 1.0695586 -3.9346057 15 O -2.0343713 0.4556505 0.6004441 0.4738631 -2.5036701 -1.1061667 0.6018746 -1.0966398 -3.9346057 16 O -2.1891794 0.0864223 0.0786838 0.0898460 -3.0352604 -0.1026207 -0.0512435 -0.0069213 -2.4789342 17 O -3.0259553 0.1814130 0.0000000 -0.1814130 -3.0259553 -0.0000000 -0.0000000 0.0000000 -1.7939901 18 O -3.0259553 0.1814130 0.0000000 -0.1814130 -3.0259553 -0.0000000 -0.0000000 0.0000000 -1.7939901 19 O -2.1891794 0.0864223 0.0786838 0.0898460 -3.0352604 -0.1026207 -0.0512435 -0.0069213 -2.4789342 20 O -2.0343713 0.4556505 0.6004441 0.4738631 -2.5036701 -1.1061667 0.6018746 -1.0966398 -3.9346057 21 O -1.9838542 -0.4446970 0.6577464 -0.4264845 -2.5541872 1.0730833 0.6487806 1.0695586 -3.9346057 22 O -2.7474137 -0.4121427 0.0495302 -0.4087191 -2.4770261 0.1194526 0.0316158 -0.0409175 -2.4789342 23 O -2.9000666 0.3205849 -0.1282141 0.3240086 -2.3243732 -0.0168318 0.0196277 0.0478388 -2.4789342 24 O -2.7888366 -0.0382723 -1.2581906 -0.0200598 -1.7492048 0.0330835 -1.2506553 0.0270812 -3.9346057 25 O -3.2960194 -0.1591177 0.0000000 0.1591177 -3.2960194 -0.0000000 -0.0000000 0.0000000 -1.7568382 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.60, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 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 2.861 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.384 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.347 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.495 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.933 ( 0.000 0.000 0.000) 0.000 13.227 ( 0.000 0.000 0.000) 0.000 13.350 ( 0.000 0.000 0.000) 0.000 13.350 ( 0.000 0.000 0.000) 0.000 13.766 ( 0.000 0.000 0.000) 0.000 14.612 ( 0.000 0.000 0.000) 0.000 14.683 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.590 ( 0.000 0.000 0.000) 0.000 15.590 ( 0.000 0.000 0.000) 0.000 16.570 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 16.903 ( 0.000 0.000 0.000) 0.000 18.401 ( 0.000 0.000 0.000) 0.000 20.163 ( 0.000 0.000 0.000) 0.000 20.163 ( 0.000 0.000 0.000) 0.000 20.614 ( 0.000 0.000 0.000) 0.000 20.614 ( 0.000 0.000 0.000) 0.000 22.485 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 25.895 18.348 -3.276) 31.905 0.841 ( 33.195 24.365 2.391) 41.246 1.222 ( 48.722 22.843 28.594) 60.937 2.899 ( 2.856 1.259 -3.765) 4.891 2.929 ( 5.804 3.809 -1.615) 7.128 3.435 ( -6.181 -4.239 1.693) 7.683 3.458 ( -3.524 -3.090 -0.988) 4.790 3.699 ( -1.923 -2.373 -3.431) 4.594 3.742 ( -0.644 1.809 3.063) 3.615 3.911 ( -3.855 0.840 0.575) 3.987 3.981 ( 3.884 0.260 -0.138) 3.895 4.639 ( -10.906 -0.882 -1.787) 11.086 4.754 ( 4.879 -5.372 0.140) 7.258 5.168 ( -1.881 -0.515 -1.728) 2.606 5.255 ( -1.759 1.591 3.767) 4.452 5.520 ( -0.087 -2.632 -10.028) 10.368 5.587 ( -2.807 1.762 6.249) 7.073 5.867 ( -0.256 -4.648 -7.182) 8.559 5.954 ( -1.681 1.934 8.501) 8.879 6.336 ( -2.244 -2.291 -7.115) 7.804 6.387 ( -0.701 0.852 7.818) 7.895 6.708 ( 8.005 4.668 -2.055) 9.492 6.750 ( 6.434 2.489 -10.709) 12.739 7.037 ( 4.440 3.303 10.716) 12.060 7.249 ( 4.424 1.304 -2.274) 5.142 7.441 ( -1.874 -1.770 -0.366) 2.604 7.451 ( -4.820 -2.333 7.559) 9.263 7.976 ( -8.500 -0.652 -0.733) 8.557 8.059 ( -5.042 -2.283 -5.733) 7.969 8.093 ( -6.108 -6.441 0.762) 8.910 8.250 ( 2.669 -2.175 1.461) 3.740 8.497 ( -0.393 6.774 -2.464) 7.219 8.585 ( 8.229 -1.147 2.324) 8.627 8.786 ( -2.922 -8.597 -4.239) 10.021 8.918 ( -8.216 -1.134 4.573) 9.471 9.004 ( 2.896 5.738 0.754) 6.472 9.192 ( 2.529 0.986 1.597) 3.149 9.351 ( 9.313 2.530 2.617) 9.999 9.647 ( 0.278 -0.213 -19.326) 19.329 9.960 ( -6.871 -4.117 -3.283) 8.657 10.052 ( -2.188 2.405 3.541) 4.807 10.673 ( -3.448 -7.992 -3.703) 9.459 10.707 ( -2.509 -1.699 0.391) 3.055 10.897 ( -9.376 0.347 -2.951) 9.836 11.042 ( -0.086 0.444 -4.036) 4.061 11.224 ( -8.932 -7.191 -3.085) 11.875 11.399 ( 0.219 2.901 5.921) 6.597 11.506 ( 0.573 2.342 1.744) 2.976 11.648 ( 1.842 -0.662 -5.202) 5.558 11.765 ( 9.379 -0.130 1.497) 9.498 12.562 ( 5.960 4.451 0.233) 7.442 12.729 ( 1.826 0.855 4.145) 4.609 12.952 ( 1.766 1.148 -1.023) 2.341 13.070 ( -5.161 1.018 -11.226) 12.398 13.278 ( -5.690 -2.801 3.050) 7.038 13.485 ( 10.662 -0.122 -8.289) 13.506 13.703 ( -5.464 -2.635 3.614) 7.061 14.402 ( -6.042 -4.829 14.048) 16.037 14.690 ( 3.715 -2.021 -1.661) 4.544 14.729 ( -4.907 0.195 2.755) 5.631 14.806 ( -4.137 1.466 -1.251) 4.564 15.337 ( -15.581 -6.454 16.278) 23.439 15.636 ( 4.502 1.729 -2.562) 5.461 16.179 ( 10.059 8.408 5.211) 14.108 16.533 ( 4.882 1.510 0.511) 5.136 16.826 ( -0.620 -3.173 -2.712) 4.220 17.023 ( 9.188 7.363 0.430) 11.783 17.166 ( 24.966 12.091 0.777) 27.750 18.444 ( 8.971 2.800 -11.602) 14.931 19.550 ( -14.972 -3.284 27.307) 31.315 20.123 ( -2.597 -3.328 -0.895) 4.315 20.416 ( -10.857 -0.952 4.094) 11.642 20.573 ( -5.394 2.421 -3.444) 6.842 20.688 ( 6.682 -5.448 2.332) 8.931 22.372 ( -9.303 -5.401 -1.554) 10.869 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 24.450 18.059 -2.314) 30.484 1.621 ( 29.049 21.577 0.281) 36.187 2.313 ( 39.402 17.939 25.552) 50.272 2.922 ( 0.328 0.313 -6.721) 6.737 3.107 ( 9.146 6.382 -3.586) 11.715 3.282 ( -5.930 -2.509 1.437) 6.597 3.359 ( -0.853 -7.328 -4.881) 8.846 3.592 ( -4.329 -3.408 -3.156) 6.350 3.754 ( -1.989 0.717 2.940) 3.621 3.899 ( -0.075 5.278 4.870) 7.182 4.059 ( 3.771 1.449 0.134) 4.042 4.424 ( -9.413 -3.486 -0.186) 10.039 4.752 ( 3.982 -8.884 -3.879) 10.480 5.066 ( -7.855 -4.152 0.076) 8.885 5.165 ( -10.711 2.529 3.254) 11.476 5.489 ( -0.021 -7.116 1.952) 7.379 5.593 ( -2.652 6.442 2.732) 7.483 5.817 ( 3.441 -0.098 -13.005) 13.453 5.961 ( 0.305 1.029 3.420) 3.585 6.230 ( -2.285 -3.562 -8.300) 9.316 6.451 ( 0.363 4.479 8.183) 9.336 6.828 ( 5.733 -2.755 -10.539) 12.310 6.919 ( 8.222 2.157 -2.981) 9.008 7.143 ( -0.511 6.962 8.204) 10.773 7.303 ( -0.103 -3.864 -2.449) 4.576 7.347 ( -5.973 4.114 -3.651) 8.120 7.459 ( 7.146 -5.522 11.026) 14.252 7.786 ( -11.176 0.499 -3.959) 11.867 7.885 ( -6.132 -3.156 4.785) 8.394 8.026 ( 1.862 -2.190 -3.855) 4.808 8.258 ( 2.197 -7.448 2.447) 8.142 8.503 ( 0.824 2.347 -2.767) 3.721 8.690 ( -1.580 1.842 -3.584) 4.328 8.715 ( -8.205 -2.623 1.558) 8.754 8.790 ( 5.551 -0.303 2.327) 6.027 9.140 ( 4.602 2.189 4.309) 6.673 9.268 ( 0.985 5.612 0.700) 5.741 9.458 ( 0.367 -4.149 4.301) 5.987 9.555 ( -0.548 -2.430 -12.350) 12.599 9.755 ( -5.091 -6.736 -6.507) 10.660 10.030 ( -7.261 5.791 0.678) 9.312 10.429 ( -8.913 -11.392 -5.696) 15.546 10.652 ( -0.936 -3.273 3.548) 4.917 10.754 ( -8.013 3.194 -1.073) 8.693 11.010 ( -1.861 -9.214 0.741) 9.430 11.047 ( -3.004 1.815 -3.097) 4.681 11.437 ( -2.332 4.388 4.694) 6.835 11.573 ( 3.112 1.905 -1.516) 3.952 11.658 ( 2.023 -1.295 5.421) 5.929 11.855 ( 3.114 -3.893 -0.294) 4.994 12.653 ( 1.057 -2.412 -2.273) 3.478 12.824 ( 2.365 2.194 2.134) 3.869 12.964 ( -1.475 3.084 -1.174) 3.614 13.039 ( 2.957 4.843 -3.276) 6.552 13.217 ( 0.659 1.785 -0.497) 1.967 13.501 ( -4.846 -4.939 0.975) 6.987 13.671 ( 2.653 1.421 0.503) 3.051 14.251 ( -8.038 -5.911 0.897) 10.018 14.424 ( -13.068 -8.581 3.560) 16.034 14.700 ( 1.075 -5.681 -1.572) 5.992 14.773 ( -4.633 -5.378 -3.386) 7.865 15.374 ( 3.293 18.606 9.812) 21.291 15.752 ( 9.912 -1.317 -1.671) 10.138 16.436 ( -0.219 17.938 8.636) 19.910 16.747 ( 21.474 -12.385 1.802) 24.855 16.751 ( -0.797 4.370 -9.467) 10.457 17.330 ( 13.753 11.638 -0.146) 18.017 17.765 ( 27.453 13.522 -0.128) 30.602 18.611 ( 11.979 -0.381 -6.793) 13.777 19.329 ( -19.390 0.253 24.233) 31.037 19.992 ( -6.241 -7.023 -2.845) 9.817 20.217 ( -10.701 -3.848 3.281) 11.836 20.450 ( -9.765 3.112 -5.636) 11.697 20.740 ( 4.914 -5.263 2.182) 7.524 22.066 ( -15.685 -9.227 -3.636) 18.557 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 20.568 16.337 0.150) 26.267 2.188 ( 14.556 12.611 -4.975) 19.891 2.920 ( 3.666 3.652 -3.819) 6.431 3.048 ( 16.071 4.530 12.592) 20.914 3.130 ( -1.314 -9.799 0.367) 9.894 3.222 ( -1.881 5.192 -4.616) 7.197 3.381 ( 8.157 8.067 -5.050) 12.535 3.538 ( 2.221 -2.360 2.672) 4.200 3.739 ( -0.647 0.893 2.606) 2.830 3.980 ( 1.069 0.269 0.240) 1.129 4.123 ( -3.305 -0.159 2.899) 4.399 4.338 ( 5.693 -1.801 8.716) 10.565 4.701 ( 5.312 -11.782 -8.319) 15.370 4.842 ( -13.753 2.368 -5.795) 15.111 5.043 ( -6.470 1.850 12.799) 14.460 5.389 ( -5.416 -1.068 4.309) 7.003 5.597 ( -1.830 0.072 -4.590) 4.942 5.858 ( 2.808 5.008 -8.988) 10.665 6.034 ( 1.764 0.974 -1.471) 2.494 6.158 ( 2.157 -1.010 -0.242) 2.394 6.503 ( -1.372 -0.853 -1.397) 2.136 6.729 ( -6.203 -11.183 6.560) 14.373 6.919 ( -2.490 -0.396 0.262) 2.535 7.132 ( -4.395 2.280 -17.839) 18.513 7.349 ( -3.008 0.504 0.384) 3.074 7.356 ( 0.453 -1.397 2.618) 3.002 7.477 ( 5.993 3.052 5.026) 8.396 7.741 ( 5.325 1.112 4.271) 6.916 7.899 ( 4.906 2.281 -2.349) 5.898 8.044 ( 1.765 0.804 1.544) 2.479 8.235 ( 3.038 -6.723 3.787) 8.293 8.492 ( -10.809 -1.797 1.695) 11.087 8.530 ( -1.698 -0.785 -1.548) 2.428 8.677 ( 1.380 2.177 -5.288) 5.883 8.945 ( 4.845 5.353 3.947) 8.228 9.101 ( -10.351 -8.674 5.004) 14.401 9.310 ( -2.150 5.847 0.725) 6.272 9.368 ( -5.590 -4.097 -8.672) 11.101 9.486 ( 7.250 -4.301 -10.317) 13.323 9.720 ( 4.845 -2.804 3.590) 6.650 9.901 ( -12.508 4.491 -2.516) 13.526 10.189 ( -4.112 -8.689 -0.970) 9.662 10.655 ( 1.080 -1.278 4.690) 4.980 10.668 ( -4.670 2.681 -0.284) 5.392 10.884 ( -2.259 -6.822 -0.048) 7.186 11.045 ( -0.621 2.748 -0.344) 2.838 11.441 ( -1.742 1.640 -0.643) 2.477 11.605 ( 0.482 -0.180 0.278) 0.585 11.748 ( 4.317 0.893 6.462) 7.822 11.843 ( 1.017 -2.096 -1.145) 2.596 12.498 ( -11.251 -5.816 0.507) 12.676 12.867 ( 5.966 -2.208 -2.310) 6.768 12.977 ( -1.884 0.207 -6.184) 6.468 13.134 ( 2.810 3.668 1.386) 4.825 13.325 ( 0.971 6.043 -1.267) 6.250 13.380 ( -3.432 1.228 4.161) 5.532 13.728 ( 1.382 2.230 4.838) 5.504 14.095 ( -3.902 -0.365 -4.137) 5.698 14.207 ( -4.305 -9.235 6.405) 12.035 14.581 ( -5.539 -2.574 -3.893) 7.243 14.678 ( 1.952 -9.932 -2.977) 10.550 15.636 ( 1.238 16.565 2.303) 16.770 15.935 ( 12.209 -0.379 -1.274) 12.281 16.461 ( -9.978 2.944 5.672) 11.849 16.829 ( 5.019 7.270 -2.548) 9.195 17.131 ( 26.785 0.073 1.541) 26.829 17.673 ( 11.778 11.436 -1.106) 16.454 18.319 ( 21.826 9.904 -2.008) 24.052 18.717 ( 5.366 -6.858 -6.380) 10.795 19.179 ( -11.213 7.732 23.840) 27.457 19.742 ( -10.627 -9.552 -3.360) 14.679 20.015 ( -7.934 -6.130 1.401) 10.124 20.263 ( -11.777 1.984 -5.418) 13.114 20.798 ( 5.416 -1.359 3.239) 6.455 21.656 ( -17.268 -10.321 -5.517) 20.860 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 7.787 3.409 5.025) 9.875 2.398 ( 6.790 16.561 -10.757) 20.883 2.766 ( -8.733 -18.782 0.820) 20.729 3.081 ( 1.746 1.631 -0.334) 2.413 3.286 ( 5.251 2.782 -1.585) 6.150 3.384 ( 4.668 6.957 4.653) 9.583 3.530 ( 1.987 4.307 -0.918) 4.831 3.652 ( 8.981 7.256 -4.152) 12.270 3.781 ( 1.474 2.191 2.161) 3.412 3.929 ( -5.540 -11.784 7.983) 15.274 3.972 ( -5.361 -1.723 -2.718) 6.253 4.437 ( 1.729 -3.985 6.574) 7.880 4.577 ( -1.271 -6.997 -11.044) 13.136 4.708 ( -5.007 2.937 2.051) 6.157 5.228 ( 11.534 8.481 10.133) 17.540 5.365 ( -2.165 5.185 2.220) 6.041 5.531 ( -1.183 0.009 -0.156) 1.193 5.814 ( -2.662 -9.701 -15.454) 18.439 6.054 ( -4.574 15.738 6.937) 17.797 6.221 ( 0.489 -13.262 0.963) 13.306 6.328 ( -0.470 -4.276 -3.464) 5.523 6.627 ( -3.348 -0.064 2.896) 4.427 6.929 ( 2.580 4.085 1.349) 5.017 7.086 ( 0.536 2.450 -7.405) 7.818 7.104 ( -7.958 -8.319 -1.095) 11.564 7.385 ( -1.220 -0.537 0.146) 1.341 7.684 ( 5.033 3.627 1.213) 6.321 7.885 ( 6.918 2.895 4.076) 8.535 7.997 ( 2.763 -1.373 -3.807) 4.900 8.096 ( 0.607 1.971 1.813) 2.746 8.263 ( 4.178 -5.098 5.805) 8.783 8.325 ( -5.874 2.870 -4.484) 7.927 8.520 ( 1.917 1.879 2.944) 3.984 8.694 ( -0.798 0.317 -2.349) 2.501 8.793 ( -12.594 -6.836 0.292) 14.332 9.083 ( 2.141 4.639 2.675) 5.767 9.198 ( -1.301 -3.515 -8.966) 9.718 9.334 ( -0.189 -0.549 4.243) 4.283 9.536 ( 3.654 -3.106 -7.233) 8.678 9.725 ( -6.132 4.449 -0.310) 7.583 9.805 ( 0.757 -1.530 4.538) 4.849 10.107 ( 0.671 -3.067 -0.387) 3.164 10.626 ( -1.829 1.504 -0.466) 2.413 10.695 ( 1.008 0.009 3.020) 3.183 10.803 ( -0.920 -2.770 -1.231) 3.168 11.064 ( -0.400 1.786 1.035) 2.103 11.416 ( -0.580 -0.464 -1.554) 1.722 11.606 ( 0.069 -0.555 0.644) 0.854 11.817 ( 2.368 -2.386 1.791) 3.810 11.873 ( 0.396 4.112 -0.453) 4.156 12.274 ( -6.478 -4.053 1.169) 7.730 12.884 ( -3.077 0.586 -2.296) 3.884 12.987 ( 11.309 -4.140 -4.519) 12.862 13.157 ( -10.051 2.336 5.854) 11.864 13.245 ( -0.523 0.564 -1.322) 1.529 13.475 ( 1.736 3.470 -0.678) 3.939 13.829 ( 2.605 3.172 5.124) 6.565 14.054 ( -1.296 1.931 -2.653) 3.528 14.131 ( 0.952 -5.341 2.423) 5.942 14.478 ( -2.353 -0.797 -2.542) 3.554 14.600 ( -0.079 -5.196 -1.481) 5.403 15.760 ( 0.243 5.329 0.444) 5.353 16.109 ( 6.475 2.380 -2.687) 7.403 16.331 ( -5.858 -2.221 3.608) 7.230 16.932 ( 1.729 2.457 -0.916) 3.141 17.573 ( 15.528 3.564 2.892) 16.192 17.919 ( 5.718 7.007 -0.906) 9.089 18.529 ( -1.684 -3.615 -3.894) 5.574 18.727 ( 4.425 1.144 1.814) 4.918 19.270 ( 3.154 5.783 9.109) 11.242 19.484 ( -7.775 -5.159 -2.035) 9.551 19.858 ( -2.773 -4.817 -0.052) 5.558 20.076 ( -7.434 0.574 -2.879) 7.993 20.952 ( 9.022 4.130 4.839) 11.039 21.260 ( -14.039 -8.370 -5.888) 17.373 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 12.001 30.094 3.259) 32.562 0.889 ( -1.441 38.628 12.559) 40.644 1.348 ( -4.768 48.226 41.792) 63.993 2.888 ( -1.284 3.667 -5.946) 7.103 2.909 ( 1.379 6.399 -4.535) 7.963 3.416 ( -3.628 -6.804 -0.511) 7.728 3.510 ( 1.687 -3.870 5.813) 7.185 3.693 ( -0.230 -1.974 -3.872) 4.352 3.739 ( 1.621 -0.710 2.418) 2.996 3.889 ( 2.975 -3.040 -2.578) 4.974 3.999 ( -2.204 3.816 2.224) 4.936 4.572 ( 4.342 -11.116 -8.818) 14.838 4.805 ( -9.161 0.442 4.061) 10.030 5.140 ( 3.148 -0.835 -3.665) 4.903 5.263 ( 3.418 -3.052 3.753) 5.923 5.474 ( -2.317 -2.301 -7.438) 8.124 5.593 ( 2.409 3.395 -5.918) 7.236 5.848 ( -4.513 -6.426 2.646) 8.286 6.040 ( 2.217 2.759 11.729) 12.252 6.318 ( -1.242 -3.339 -3.805) 5.212 6.423 ( 1.004 0.060 7.439) 7.506 6.627 ( 0.610 4.678 -18.614) 19.203 6.726 ( -1.861 8.788 -5.187) 10.373 7.099 ( 1.588 4.117 13.737) 14.429 7.253 ( -7.340 -1.278 -3.664) 8.303 7.302 ( 7.417 -0.514 -3.969) 8.428 7.611 ( -2.801 0.233 15.626) 15.877 7.933 ( -0.495 -7.966 -6.496) 10.291 8.077 ( 4.473 -9.930 0.118) 10.891 8.142 ( -2.635 -4.088 5.327) 7.213 8.236 ( 1.316 0.008 -1.098) 1.714 8.480 ( -4.395 6.322 -4.554) 8.945 8.592 ( 0.167 5.234 2.337) 5.735 8.811 ( 0.311 -7.775 -4.270) 8.876 8.879 ( 0.194 -4.813 3.183) 5.774 9.024 ( -3.250 2.758 2.938) 5.177 9.127 ( 0.686 0.560 -9.040) 9.083 9.339 ( -1.493 8.284 0.546) 8.435 9.604 ( 0.413 8.638 -17.889) 19.870 10.001 ( -1.321 -6.480 0.914) 6.676 10.027 ( 5.602 -2.696 2.898) 6.859 10.634 ( -4.907 -8.214 -6.184) 11.392 10.702 ( -0.952 -2.542 -2.543) 3.719 10.942 ( 3.628 -5.362 0.998) 6.550 10.997 ( 4.020 -2.621 -11.695) 12.641 11.154 ( 0.584 -5.029 -10.898) 12.017 11.388 ( -4.146 -1.628 6.055) 7.517 11.525 ( 1.150 3.396 3.077) 4.725 11.672 ( -0.577 4.294 -1.103) 4.471 11.796 ( -3.663 7.298 6.392) 10.370 12.612 ( 2.133 7.383 7.359) 10.640 12.690 ( -0.939 -0.547 -2.094) 2.359 12.947 ( 0.183 3.267 -2.072) 3.873 13.033 ( 3.533 1.052 -11.478) 12.055 13.242 ( -3.184 -9.452 0.224) 9.976 13.475 ( -4.440 9.105 -4.820) 11.218 13.711 ( 0.146 -6.504 2.600) 7.006 14.500 ( 0.754 -11.135 10.555) 15.361 14.698 ( -0.121 0.033 -1.983) 1.987 14.750 ( 4.615 -1.284 8.829) 10.045 14.832 ( -1.662 -2.649 2.520) 4.016 15.317 ( -0.509 -18.963 13.278) 23.155 15.656 ( 4.195 5.276 0.634) 6.771 16.190 ( -1.949 3.193 6.142) 7.191 16.548 ( 4.625 5.871 2.737) 7.959 16.857 ( -3.704 0.300 2.055) 4.246 17.022 ( -5.818 11.191 0.379) 12.619 17.148 ( 2.032 27.425 -1.884) 27.565 18.397 ( -2.764 14.280 -13.888) 20.110 19.662 ( 7.409 -23.150 35.802) 43.274 20.136 ( -3.048 -3.069 1.359) 4.534 20.376 ( 9.844 -11.046 -2.076) 14.941 20.575 ( -0.690 -3.223 -1.973) 3.842 20.738 ( -6.542 0.744 8.466) 10.725 22.363 ( -0.053 -11.075 -2.543) 11.363 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 12.717 27.591 6.929) 31.161 1.388 ( 18.609 31.543 4.547) 36.904 2.152 ( 22.403 36.055 35.723) 55.479 2.884 ( 0.478 2.471 -10.480) 10.778 3.032 ( 5.970 8.707 -5.165) 11.753 3.263 ( -4.521 -8.313 0.004) 9.463 3.449 ( -6.367 0.733 1.726) 6.637 3.621 ( -3.829 -2.323 -2.896) 5.333 3.780 ( 1.602 -0.205 3.209) 3.592 3.902 ( 2.637 -4.523 4.181) 6.700 4.059 ( 2.763 7.331 0.069) 7.835 4.499 ( -0.343 -14.216 1.406) 14.289 4.572 ( -6.722 -4.375 -13.982) 16.119 5.132 ( -3.756 -4.072 4.091) 6.887 5.331 ( 0.817 -0.439 6.050) 6.121 5.367 ( -0.399 -4.378 -8.364) 9.448 5.653 ( 2.270 -2.860 -15.359) 15.787 5.733 ( -2.097 2.340 13.124) 13.494 6.056 ( -4.593 1.456 5.370) 7.215 6.223 ( -2.791 -1.353 -7.973) 8.555 6.515 ( 1.830 3.556 9.000) 9.849 6.670 ( 6.275 4.094 -21.555) 22.820 6.813 ( 4.298 6.635 -3.704) 8.730 7.158 ( 2.734 -6.570 -3.449) 7.908 7.242 ( 3.467 3.710 9.242) 10.545 7.401 ( 2.082 4.944 -6.657) 8.549 7.546 ( -9.207 0.214 18.028) 20.244 7.837 ( 3.189 -11.660 -5.314) 13.204 7.969 ( -5.540 -7.501 6.011) 11.094 8.023 ( -10.215 0.044 0.410) 10.223 8.202 ( -1.741 1.281 -3.851) 4.416 8.513 ( 2.224 0.842 -2.661) 3.569 8.639 ( -3.106 -2.242 -4.720) 6.079 8.712 ( 5.341 1.597 0.399) 5.589 8.874 ( -5.991 1.968 -1.699) 6.531 8.980 ( 7.496 -4.281 4.549) 9.757 9.251 ( 5.591 -2.774 -2.657) 6.783 9.376 ( 1.852 0.987 -2.545) 3.299 9.581 ( -3.852 3.933 -6.662) 8.643 9.839 ( -9.219 -6.370 0.984) 11.249 10.127 ( 3.169 2.194 3.769) 5.391 10.429 ( -6.036 -8.115 -10.680) 14.709 10.625 ( -1.280 -5.535 -1.123) 5.792 10.821 ( -4.509 -5.537 -1.711) 7.343 11.014 ( -2.403 -2.237 -3.711) 4.955 11.084 ( 2.353 -0.875 -8.195) 8.571 11.335 ( 2.071 -8.592 8.758) 12.442 11.639 ( 0.166 6.497 2.082) 6.825 11.678 ( -0.465 1.071 6.147) 6.257 11.810 ( -2.536 2.226 1.693) 3.775 12.592 ( -0.842 -1.568 -4.984) 5.292 12.893 ( 5.074 11.350 7.032) 14.283 12.985 ( 1.400 1.369 0.543) 2.032 13.054 ( -0.168 3.725 -3.594) 5.179 13.122 ( 4.200 -9.624 -5.835) 12.013 13.479 ( -0.239 3.746 -1.999) 4.253 13.622 ( -1.952 -7.696 2.036) 8.197 14.332 ( -7.638 -9.462 2.052) 12.332 14.537 ( -8.576 -11.693 1.696) 14.600 14.715 ( -4.172 -3.110 -1.473) 5.408 14.875 ( -6.229 6.669 -1.260) 9.212 15.377 ( 13.757 -0.226 21.417) 25.456 15.757 ( -4.344 8.759 -4.573) 10.794 16.238 ( 15.035 -4.033 3.379) 15.929 16.722 ( -4.147 14.817 6.834) 16.835 16.926 ( -3.795 12.812 -9.779) 16.558 17.099 ( 16.190 5.894 -0.607) 17.240 17.593 ( 14.706 26.488 -0.621) 30.303 18.467 ( 2.528 6.403 -7.205) 9.965 19.629 ( -4.925 -14.490 33.303) 36.651 20.015 ( -5.555 -4.965 -2.188) 7.765 20.387 ( -8.843 -8.023 7.194) 13.940 20.492 ( 10.263 -11.119 -1.770) 15.235 20.634 ( -8.851 4.808 -5.126) 11.302 22.138 ( -8.527 -15.045 -5.040) 18.012 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 12.425 23.327 4.474) 26.805 2.023 ( 19.213 21.548 -1.665) 28.918 2.863 ( 4.123 2.236 -3.468) 5.834 2.945 ( 14.268 17.543 17.266) 28.450 3.097 ( -3.281 -6.290 3.953) 8.121 3.223 ( 6.236 9.020 -6.592) 12.795 3.391 ( -2.971 4.358 -3.212) 6.175 3.540 ( -1.497 1.238 1.566) 2.495 3.789 ( -2.327 2.506 2.666) 4.337 3.944 ( 3.262 -2.778 4.800) 6.434 4.174 ( -0.633 -0.703 -3.866) 3.981 4.312 ( -0.737 -3.970 5.375) 6.723 4.451 ( 2.118 -10.540 -5.187) 11.936 4.987 ( -6.337 -3.724 0.170) 7.353 5.207 ( -7.703 -3.517 -3.395) 9.123 5.392 ( 3.451 -2.820 3.572) 5.711 5.541 ( 0.486 -11.110 -2.878) 11.487 5.846 ( -1.084 8.847 -3.466) 9.563 6.055 ( 1.205 4.322 2.964) 5.377 6.162 ( -0.691 1.978 -1.736) 2.721 6.554 ( -4.122 3.158 -6.504) 8.322 6.692 ( 1.883 -4.380 -0.897) 4.851 6.897 ( 3.338 0.212 -9.497) 10.069 7.133 ( -0.352 -2.560 -4.554) 5.236 7.362 ( 2.521 6.739 0.910) 7.253 7.414 ( -4.349 -0.777 -1.932) 4.822 7.509 ( -1.568 2.318 12.886) 13.187 7.738 ( -1.214 -3.946 -0.385) 4.146 7.836 ( -0.099 -5.028 6.272) 8.039 7.974 ( 0.908 3.529 -2.033) 4.172 8.180 ( 0.776 -1.748 -1.379) 2.358 8.537 ( -0.164 1.466 1.610) 2.184 8.598 ( -0.747 -2.819 -3.629) 4.656 8.664 ( -3.818 -3.520 -3.244) 6.123 8.935 ( 4.397 6.631 3.833) 8.831 9.069 ( 2.871 -7.346 3.258) 8.533 9.211 ( 5.910 -8.877 -11.304) 15.540 9.390 ( 0.144 -2.757 -0.661) 2.839 9.443 ( -11.195 -5.762 -4.559) 13.391 9.731 ( -1.163 6.454 6.741) 9.405 10.130 ( -10.671 4.541 -5.015) 12.635 10.194 ( -3.966 -6.769 -4.466) 9.028 10.596 ( 3.589 -3.642 2.146) 5.545 10.718 ( -1.879 -4.704 2.900) 5.837 10.914 ( -4.218 0.058 -3.324) 5.370 11.113 ( -0.336 5.776 -4.006) 7.037 11.329 ( 5.023 -11.136 3.494) 12.706 11.622 ( -1.868 -0.642 -0.214) 1.987 11.739 ( -2.095 -2.763 9.977) 10.563 11.814 ( 2.761 4.058 0.154) 4.911 12.549 ( -0.077 -2.822 -6.940) 7.492 12.818 ( -7.723 -7.175 1.328) 10.625 13.024 ( -2.460 2.252 -2.395) 4.106 13.119 ( 3.483 3.723 -2.014) 5.482 13.296 ( 10.378 8.755 -1.269) 13.637 13.466 ( -2.250 -1.336 5.799) 6.362 13.595 ( 6.372 -4.799 -4.214) 9.022 14.140 ( -5.415 -5.906 2.221) 8.315 14.281 ( -9.258 -9.660 7.338) 15.260 14.603 ( -2.971 -4.158 -4.860) 7.052 14.768 ( -11.728 7.250 4.618) 14.541 15.701 ( 7.697 -3.061 -5.484) 9.935 15.807 ( 5.582 18.349 5.479) 19.946 16.486 ( 11.566 -9.672 4.569) 15.754 16.874 ( 1.456 13.001 6.580) 14.644 16.956 ( 0.208 20.166 -5.300) 20.852 17.505 ( 18.876 9.659 -3.355) 21.467 18.109 ( 16.898 20.357 -1.135) 26.480 18.523 ( 4.758 -3.470 -5.588) 8.118 19.525 ( -10.066 -4.707 29.983) 31.976 19.832 ( -8.010 -6.774 -0.435) 10.500 20.113 ( -12.789 -8.760 0.137) 15.503 20.462 ( -11.031 1.789 -5.052) 12.264 20.607 ( 11.772 -7.474 0.328) 13.948 21.762 ( -13.082 -16.057 -7.514) 22.032 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 9.459 5.213 2.449) 11.074 2.423 ( 7.937 21.568 -5.668) 23.671 2.804 ( -9.799 -6.206 1.522) 11.699 3.053 ( 5.600 5.988 -0.619) 8.222 3.248 ( 0.685 2.693 -1.157) 3.010 3.371 ( 4.754 4.188 3.196) 7.096 3.492 ( 8.724 5.900 -3.606) 11.132 3.640 ( 2.743 5.791 10.232) 12.073 3.817 ( -1.228 8.263 1.323) 8.458 3.952 ( -2.565 -2.315 2.846) 4.476 4.018 ( -5.393 -8.016 -2.031) 9.872 4.282 ( 7.342 -14.948 -11.757) 20.386 4.431 ( -1.937 -2.344 12.443) 12.809 4.903 ( -7.970 4.096 -7.052) 11.403 5.138 ( 9.898 -1.727 6.990) 12.240 5.422 ( 2.256 -13.196 -5.433) 14.448 5.475 ( 2.438 5.882 6.236) 8.913 5.774 ( -6.995 0.843 -8.017) 10.673 6.140 ( -0.638 -5.178 3.545) 6.308 6.253 ( 1.559 10.354 5.964) 12.050 6.371 ( -8.479 0.292 -8.203) 11.801 6.650 ( -1.814 -6.004 3.390) 7.130 6.917 ( 4.131 3.011 -11.067) 12.191 7.079 ( -2.205 2.795 -7.740) 8.519 7.211 ( -11.156 -1.857 1.984) 11.482 7.422 ( -1.675 1.474 -0.176) 2.239 7.664 ( 4.852 3.913 9.990) 11.775 7.794 ( 7.055 1.675 1.282) 7.363 7.879 ( 5.749 -0.293 -3.848) 6.924 8.071 ( 6.217 1.848 3.646) 7.440 8.181 ( 1.317 -2.013 2.574) 3.523 8.462 ( -8.301 -0.191 -2.093) 8.563 8.515 ( -1.206 -2.487 0.514) 2.811 8.660 ( 2.630 -0.909 -0.718) 2.874 8.873 ( -8.719 -13.705 1.029) 16.276 9.089 ( 5.399 -4.668 -5.395) 8.946 9.179 ( -4.771 3.843 -0.661) 6.162 9.294 ( 8.404 -4.115 -7.271) 11.851 9.349 ( -0.514 -3.336 0.737) 3.455 9.822 ( -0.588 3.358 4.826) 5.909 9.885 ( -10.760 -4.133 -2.698) 11.838 10.167 ( -1.016 8.599 -0.940) 8.710 10.651 ( 3.441 -0.762 -0.746) 3.603 10.668 ( -2.289 -3.475 7.035) 8.174 10.856 ( -3.619 4.742 -2.536) 6.482 11.139 ( -2.431 5.097 -1.902) 5.959 11.314 ( 4.345 -8.435 1.017) 9.542 11.594 ( 1.101 -2.874 0.071) 3.078 11.692 ( 1.612 -7.788 1.801) 8.154 11.916 ( 1.476 3.714 3.022) 5.011 12.399 ( -10.154 -2.030 -3.270) 10.859 12.742 ( 7.562 -6.191 -3.374) 10.339 12.930 ( -4.625 -2.233 -2.736) 5.819 13.211 ( 3.340 1.122 -0.253) 3.532 13.375 ( -5.683 3.395 -0.953) 6.688 13.498 ( -0.223 3.254 -0.582) 3.313 13.690 ( 9.221 -3.631 0.577) 9.927 14.062 ( -1.445 -2.291 -0.188) 2.716 14.137 ( -1.478 -6.087 12.668) 14.132 14.511 ( -2.906 1.659 -6.950) 7.713 14.697 ( -7.573 7.865 9.288) 14.334 15.706 ( 3.436 -3.575 -12.177) 13.148 16.104 ( 3.970 15.091 -0.239) 15.606 16.476 ( -5.367 -1.627 8.404) 10.103 16.933 ( -0.526 5.273 -4.225) 6.777 17.382 ( 18.393 12.123 8.605) 23.650 17.860 ( 10.225 11.809 -2.798) 15.869 18.431 ( 3.417 -2.805 -5.505) 7.061 18.587 ( 11.685 2.027 0.212) 11.861 19.442 ( -9.092 2.695 13.966) 16.881 19.641 ( -10.182 -1.931 7.907) 13.035 19.828 ( -5.207 -11.476 -1.696) 12.716 20.244 ( -12.337 1.481 -7.201) 14.362 20.779 ( 13.581 -3.095 3.075) 14.264 21.349 ( -12.554 -14.119 -7.978) 20.509 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 3.347 -0.270 -2.097) 3.959 2.488 ( -14.255 -7.117 11.108) 19.423 2.824 ( 7.268 19.904 -1.728) 21.259 3.112 ( -1.098 5.090 -2.347) 5.712 3.319 ( 1.822 -0.189 1.127) 2.150 3.377 ( -5.134 -7.079 -0.911) 8.792 3.588 ( -4.803 0.219 3.774) 6.112 3.750 ( 2.298 -0.974 -0.456) 2.537 3.775 ( -8.955 -4.281 8.192) 12.870 3.908 ( 2.395 -2.606 1.621) 3.893 3.934 ( 3.650 10.569 -12.594) 16.842 4.309 ( 11.660 -7.806 -5.477) 15.063 4.466 ( 2.995 2.591 5.618) 6.873 4.798 ( -2.368 4.256 -1.999) 5.265 5.235 ( 0.777 -13.023 -3.218) 13.437 5.378 ( -8.991 -4.869 -10.389) 14.576 5.489 ( 3.339 5.506 3.897) 7.527 5.793 ( 4.764 -4.353 1.680) 6.668 5.918 ( -2.626 -1.428 7.914) 8.460 6.341 ( -1.255 3.592 -0.891) 3.908 6.441 ( 3.442 11.963 2.765) 12.752 6.556 ( -2.833 -4.321 1.148) 5.293 6.953 ( -3.030 -2.387 -1.223) 4.047 7.041 ( 3.971 2.299 -12.113) 12.953 7.140 ( -1.865 9.935 2.493) 10.411 7.404 ( -1.805 1.670 2.535) 3.531 7.721 ( -1.323 -4.511 7.666) 8.993 7.898 ( -1.015 -0.858 -12.243) 12.315 7.982 ( 8.550 3.562 2.071) 9.491 8.143 ( -4.803 -0.547 4.685) 6.732 8.235 ( 4.641 -5.055 9.503) 11.722 8.348 ( -4.498 5.061 -5.522) 8.737 8.501 ( -0.717 -5.742 -3.619) 6.825 8.606 ( 3.267 -5.542 3.445) 7.297 8.700 ( 1.785 -1.701 0.557) 2.527 9.040 ( 2.515 -4.375 -5.854) 7.729 9.267 ( -1.143 6.700 0.657) 6.828 9.307 ( 1.560 0.502 -6.666) 6.864 9.408 ( 9.970 -5.602 5.421) 12.655 9.668 ( -4.174 -8.187 0.480) 9.202 9.859 ( -1.010 4.481 -0.338) 4.606 10.262 ( -3.074 13.192 1.787) 13.663 10.606 ( -3.021 -5.950 7.262) 9.863 10.667 ( 0.963 -1.080 -5.164) 5.363 10.876 ( -1.377 8.672 0.091) 8.781 11.102 ( -4.283 3.143 -3.223) 6.214 11.333 ( 4.156 -6.214 3.272) 8.160 11.601 ( 1.219 -1.180 -1.299) 2.137 11.676 ( 6.564 -9.067 -0.418) 11.201 11.918 ( -1.877 -1.500 -1.382) 2.772 12.289 ( -2.367 6.411 -1.235) 6.945 12.803 ( 3.954 -6.318 -0.702) 7.486 12.912 ( 8.960 -0.639 -4.064) 9.859 13.195 ( -3.145 -1.940 -5.233) 6.406 13.309 ( -6.816 6.013 6.103) 10.948 13.492 ( -1.731 -1.281 -0.026) 2.153 13.747 ( 1.740 -5.080 0.548) 5.398 13.992 ( -0.014 -5.939 -2.503) 6.445 14.172 ( 2.338 -3.510 10.040) 10.890 14.488 ( -0.902 6.782 -8.324) 10.775 14.773 ( -2.756 14.372 16.050) 21.720 15.641 ( 1.523 -8.375 -12.648) 15.245 16.210 ( -2.572 8.063 -7.309) 11.182 16.417 ( -8.250 6.335 9.288) 13.945 16.935 ( -0.818 -1.799 0.609) 2.068 17.711 ( 5.024 2.430 3.478) 6.576 17.978 ( -8.075 2.610 -0.673) 8.513 18.398 ( 9.082 -6.628 -3.364) 11.736 18.736 ( 1.236 -0.306 0.654) 1.432 19.360 ( -10.675 -1.890 -3.225) 11.310 19.522 ( -1.663 9.255 6.305) 11.322 19.795 ( 6.318 -5.003 9.378) 12.365 20.056 ( -5.948 2.309 -8.172) 10.368 20.964 ( -0.034 -8.566 -4.310) 9.589 21.097 ( 8.899 -0.418 1.660) 9.062 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -21.135 2.457 1.208) 21.312 2.275 ( -5.252 -8.970 12.168) 16.004 2.968 ( -5.308 -2.795 -1.742) 6.247 3.090 ( -4.167 -12.629 -3.064) 13.647 3.233 ( -0.373 7.725 3.259) 8.392 3.277 ( -4.483 9.399 0.211) 10.416 3.518 ( -8.460 1.425 4.056) 9.489 3.605 ( -4.773 -1.756 2.998) 5.904 3.721 ( -1.982 -1.320 -7.907) 8.258 3.941 ( 3.671 -4.674 4.170) 7.260 4.088 ( 3.392 6.256 -7.495) 10.335 4.389 ( 6.220 -9.485 -3.008) 11.735 4.564 ( -0.245 4.838 -5.163) 7.079 4.868 ( 3.306 -3.619 -6.363) 8.032 4.982 ( -5.107 6.821 2.916) 9.006 5.243 ( 4.795 -2.378 -2.651) 5.973 5.594 ( -1.869 -4.469 1.088) 4.964 5.748 ( 9.818 -3.422 0.273) 10.400 6.102 ( 0.834 2.027 12.753) 12.940 6.278 ( -6.876 5.034 -0.390) 8.531 6.478 ( 0.122 -7.140 -3.700) 8.043 6.703 ( 8.463 15.141 2.340) 17.503 6.896 ( 0.650 0.562 0.276) 0.903 7.084 ( 3.074 0.040 -2.524) 3.977 7.301 ( 5.662 10.228 -2.054) 11.870 7.395 ( -3.151 -0.322 2.564) 4.075 7.580 ( -9.410 -9.375 7.893) 15.451 7.790 ( -3.274 -1.396 -9.794) 10.421 7.985 ( -8.009 -7.059 0.810) 10.707 8.042 ( -4.344 1.467 -1.714) 4.895 8.294 ( 7.683 -2.210 -1.728) 8.179 8.355 ( 0.812 6.451 -0.413) 6.515 8.504 ( 4.528 3.137 1.998) 5.860 8.686 ( -0.222 -3.324 5.641) 6.551 8.825 ( 12.228 -3.338 0.538) 12.687 9.010 ( 2.442 1.903 -8.670) 9.206 9.248 ( -4.265 -3.823 -1.059) 5.824 9.374 ( 2.914 5.092 -2.186) 6.261 9.485 ( 9.198 -7.396 1.478) 11.895 9.695 ( 7.823 -1.362 9.491) 12.374 9.862 ( -4.598 5.561 0.421) 7.228 10.318 ( -5.205 12.681 1.898) 13.839 10.529 ( 2.239 -11.023 4.933) 12.282 10.641 ( 0.671 -0.397 -8.086) 8.123 10.952 ( -0.790 7.935 1.603) 8.134 11.071 ( -2.364 6.755 -4.219) 8.308 11.333 ( 3.067 -8.503 1.559) 9.173 11.575 ( 0.981 -4.086 -3.697) 5.597 11.732 ( 5.489 -2.707 2.012) 6.443 11.871 ( -2.116 -0.432 -2.859) 3.583 12.408 ( 6.189 11.052 -2.657) 12.943 12.818 ( 5.504 -7.062 0.308) 8.959 13.045 ( 3.757 1.130 -4.771) 6.177 13.160 ( 3.290 1.618 0.645) 3.723 13.259 ( -6.591 2.930 3.763) 8.136 13.402 ( -5.983 -3.143 2.262) 7.127 13.675 ( -2.821 -3.118 -4.557) 6.200 13.967 ( 6.629 -9.513 5.125) 12.677 14.211 ( 2.409 -1.005 2.203) 3.416 14.544 ( 2.816 6.453 -5.432) 8.893 14.959 ( -4.612 19.037 16.619) 25.688 15.478 ( -2.004 -14.078 -11.696) 18.412 16.174 ( -6.921 5.773 -0.516) 9.028 16.339 ( -6.779 -0.305 -3.535) 7.651 16.875 ( -3.519 -4.184 5.863) 8.017 17.611 ( -20.020 6.863 -1.240) 21.200 17.731 ( -10.997 -9.605 -1.198) 14.650 18.576 ( -5.155 -3.882 4.491) 7.862 18.615 ( 8.873 -6.685 -5.019) 12.191 19.099 ( -13.049 -1.137 -6.483) 14.615 19.737 ( 5.759 12.506 9.625) 16.799 19.917 ( 7.398 0.735 -0.503) 7.451 20.076 ( 8.502 0.492 -1.519) 8.651 20.810 ( -1.267 -5.964 -4.432) 7.538 21.428 ( 19.351 4.305 3.343) 20.105 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -30.820 5.498 10.865) 33.139 1.909 ( -25.766 -16.202 2.078) 30.507 2.759 ( -28.635 -4.933 -14.303) 32.386 2.911 ( 3.067 -0.426 4.252) 5.260 3.157 ( 1.495 -2.338 -0.849) 2.902 3.274 ( -10.273 -2.695 1.574) 10.737 3.530 ( -5.778 9.937 2.524) 11.769 3.578 ( 2.353 5.713 3.485) 7.094 3.683 ( 2.425 -2.609 -4.877) 6.039 3.859 ( -4.144 -7.798 0.432) 8.841 4.110 ( -0.232 1.401 0.233) 1.439 4.301 ( 2.617 -4.406 -0.367) 5.138 4.670 ( 13.120 -1.261 -11.803) 17.693 4.980 ( 9.053 1.431 -3.331) 9.752 5.080 ( -0.036 8.194 11.243) 13.913 5.408 ( 9.296 4.087 -7.284) 12.497 5.524 ( 2.864 -4.807 1.436) 5.777 5.869 ( 0.025 1.108 3.758) 3.918 6.022 ( -6.040 -2.268 4.453) 7.839 6.315 ( -1.107 6.645 6.416) 9.303 6.376 ( -0.836 -6.058 -4.570) 7.634 6.889 ( 5.752 -3.852 -1.997) 7.205 7.016 ( -0.689 11.209 3.410) 11.737 7.133 ( -2.294 -3.370 -9.397) 10.243 7.230 ( -3.396 -2.164 8.378) 9.295 7.342 ( -2.163 -1.700 3.394) 4.369 7.614 ( 4.999 8.172 3.488) 10.195 7.673 ( -2.710 -0.899 -8.954) 9.398 7.799 ( -1.105 -5.616 -3.430) 6.673 8.008 ( 0.124 -0.252 0.367) 0.463 8.337 ( 0.930 1.371 -6.706) 6.907 8.535 ( 6.759 4.897 3.158) 8.924 8.545 ( -1.052 -2.517 2.928) 4.001 8.682 ( 2.024 -0.253 3.338) 3.912 8.874 ( -0.899 1.885 -1.334) 2.478 9.046 ( -1.028 -14.164 -1.415) 14.272 9.222 ( 7.301 9.384 -8.208) 14.448 9.424 ( 2.779 2.340 -6.263) 7.240 9.630 ( 2.550 -1.594 6.599) 7.252 9.757 ( 4.312 -3.398 -1.230) 5.626 9.921 ( 0.762 4.422 16.085) 16.699 10.413 ( 5.245 8.280 1.074) 9.860 10.529 ( 7.604 -9.386 1.859) 12.222 10.631 ( 2.148 0.666 -6.757) 7.121 11.005 ( 1.418 0.458 2.389) 2.816 11.121 ( -1.685 11.323 -3.127) 11.867 11.294 ( 2.869 -6.214 -4.635) 8.266 11.557 ( 1.764 -3.149 1.022) 3.751 11.747 ( -5.637 0.875 0.803) 5.761 11.850 ( 4.254 -1.363 -4.452) 6.307 12.624 ( 5.654 7.530 -4.432) 10.407 12.851 ( 6.790 -2.539 -0.852) 7.299 13.016 ( -8.593 -1.845 4.879) 10.052 13.108 ( -9.610 2.559 2.872) 10.351 13.233 ( -2.140 -1.341 -0.771) 2.641 13.399 ( 7.888 1.888 0.999) 8.172 13.612 ( 1.004 -1.131 -6.854) 7.019 14.091 ( 13.045 -5.504 7.571) 16.055 14.280 ( 7.393 -0.404 -0.767) 7.444 14.651 ( 5.148 3.048 -2.272) 6.400 15.095 ( -9.222 19.413 13.567) 25.416 15.201 ( -5.989 -16.929 -10.215) 20.659 16.037 ( -16.746 4.616 2.435) 17.540 16.216 ( 2.529 -6.741 -7.533) 10.420 16.797 ( -5.004 -4.633 9.204) 11.455 17.299 ( -24.305 14.788 -3.127) 28.622 17.408 ( -11.954 -13.616 -4.330) 18.629 18.147 ( -26.519 -7.346 0.355) 27.520 18.801 ( -1.288 -6.170 -19.842) 20.819 18.959 ( 8.626 4.288 16.962) 19.507 19.943 ( 6.814 1.462 2.066) 7.269 20.094 ( 8.725 5.268 1.518) 10.304 20.274 ( 10.977 2.605 2.464) 11.548 20.759 ( 1.315 -2.906 -4.354) 5.397 21.826 ( 20.174 3.550 1.691) 20.553 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -34.128 -14.994 7.443) 38.012 1.281 ( -35.109 15.701 5.621) 38.869 1.955 ( -50.533 -0.716 -8.249) 51.206 2.950 ( -1.694 0.276 -0.722) 1.862 3.056 ( -10.079 -0.122 1.523) 10.195 3.287 ( 10.156 2.688 -4.188) 11.310 3.443 ( -0.513 -5.035 -0.372) 5.075 3.671 ( 2.833 -2.161 -4.511) 5.749 3.716 ( 1.103 3.106 6.990) 7.728 3.857 ( 2.909 1.656 2.900) 4.429 4.062 ( -5.368 -0.343 -0.910) 5.455 4.442 ( 13.289 -1.310 6.426) 14.819 4.773 ( 3.579 0.996 -15.833) 16.263 5.094 ( 6.229 -1.889 1.863) 6.770 5.223 ( 2.653 2.287 10.237) 10.820 5.468 ( 5.748 -2.380 -4.246) 7.532 5.598 ( -2.029 2.243 2.742) 4.083 5.846 ( 1.311 4.817 -11.402) 12.447 5.966 ( -2.154 -4.591 8.689) 10.060 6.316 ( 2.559 -0.946 -8.406) 8.837 6.385 ( -2.009 2.178 10.351) 10.766 6.829 ( -6.616 -5.239 1.067) 8.506 6.888 ( -8.569 2.917 -7.909) 12.020 7.115 ( -6.089 0.849 8.699) 10.652 7.225 ( 3.614 1.779 -4.908) 6.349 7.361 ( 2.626 -6.765 8.475) 11.158 7.510 ( -6.787 4.135 -11.930) 14.335 7.839 ( 11.620 3.798 4.826) 13.143 7.938 ( 11.562 3.867 -2.958) 12.545 8.021 ( 2.909 -4.864 2.352) 6.136 8.256 ( -2.679 -5.439 -5.016) 7.869 8.535 ( 0.410 3.372 -0.066) 3.398 8.676 ( -1.665 -0.134 2.564) 3.060 8.711 ( 3.199 -1.037 -5.534) 6.475 8.870 ( -0.464 -4.319 2.589) 5.056 8.930 ( 1.174 4.204 2.383) 4.973 9.311 ( -3.824 6.327 -5.045) 8.950 9.428 ( -4.442 -1.965 -5.186) 7.106 9.622 ( 4.726 -2.402 1.800) 5.599 9.872 ( 10.018 -3.544 -4.831) 11.673 10.019 ( -0.936 3.624 14.373) 14.852 10.568 ( 9.888 -6.516 -8.254) 14.435 10.642 ( 5.542 3.679 -3.835) 7.679 10.733 ( 11.170 1.905 11.230) 15.953 11.033 ( 2.434 -3.151 1.800) 4.370 11.149 ( 0.803 -2.145 -1.227) 2.598 11.341 ( 3.586 9.192 -7.748) 12.545 11.549 ( -2.714 -2.578 6.987) 7.927 11.671 ( -1.249 0.462 -2.673) 2.986 11.841 ( -2.267 -2.756 -4.901) 6.063 12.658 ( -1.766 0.565 -5.239) 5.557 12.809 ( -11.012 -1.977 5.982) 12.687 12.977 ( -0.361 1.084 0.788) 1.388 13.049 ( 0.957 2.858 3.552) 4.658 13.207 ( 2.028 1.941 -2.109) 3.511 13.540 ( 3.651 -3.276 -8.047) 9.424 13.602 ( 2.152 3.667 1.000) 4.368 14.284 ( 9.174 -2.680 1.523) 9.678 14.504 ( 18.498 -2.507 3.576) 19.006 14.715 ( 1.369 -4.237 0.589) 4.491 14.935 ( -4.538 -6.015 -6.952) 10.252 15.158 ( -6.241 14.073 10.164) 18.448 15.792 ( -9.844 -5.132 -0.532) 11.114 16.214 ( -3.416 8.743 0.423) 9.396 16.645 ( -7.603 -7.750 5.227) 12.049 17.040 ( -10.959 -13.316 -7.587) 18.841 17.112 ( -15.196 17.193 -2.008) 23.034 17.596 ( -30.203 -2.047 0.149) 30.273 18.587 ( -8.646 -0.380 -9.503) 12.853 19.292 ( 14.994 0.164 15.777) 21.766 20.053 ( 6.357 -0.931 -3.564) 7.347 20.283 ( 8.850 -2.075 8.572) 12.495 20.490 ( 6.763 6.775 1.863) 9.753 20.718 ( -0.339 -3.609 -7.636) 8.453 22.173 ( 16.706 -0.016 -0.142) 16.707 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -15.683 28.016 -12.887) 34.597 1.422 ( -13.882 29.076 18.149) 36.980 2.249 ( -23.275 37.580 33.923) 55.720 2.914 ( 0.437 2.882 -6.271) 6.915 2.992 ( -6.149 7.282 -8.833) 12.995 3.356 ( 9.103 -6.808 5.685) 12.710 3.448 ( -2.580 1.686 0.162) 3.086 3.626 ( 2.782 -2.243 -5.023) 6.164 3.727 ( -0.780 -1.698 3.498) 3.966 3.829 ( 0.890 -1.600 -1.764) 2.542 4.077 ( -1.189 3.199 0.833) 3.513 4.365 ( 1.082 -11.267 -4.838) 12.309 4.928 ( 3.380 -3.581 8.260) 9.616 5.055 ( -3.839 -4.731 -9.047) 10.907 5.125 ( 6.538 -2.205 0.304) 6.907 5.456 ( -0.891 -4.178 -3.628) 5.605 5.647 ( -1.759 6.635 3.045) 7.509 5.805 ( 4.131 -2.974 -7.154) 8.780 5.994 ( 5.542 -1.966 7.239) 9.326 6.270 ( 2.720 2.142 -7.966) 8.686 6.437 ( -0.606 -1.722 9.373) 9.549 6.687 ( -10.014 5.002 -19.744) 22.697 6.905 ( -6.057 12.330 -1.446) 13.814 7.088 ( 0.029 -6.151 0.214) 6.155 7.210 ( -0.810 -5.557 -1.565) 5.829 7.378 ( -1.217 2.819 4.768) 5.671 7.696 ( 4.096 7.934 15.632) 18.003 7.796 ( 8.701 -6.796 -0.374) 11.047 7.928 ( -4.441 -4.540 -9.143) 11.132 8.009 ( 8.684 -6.907 4.896) 12.128 8.327 ( -7.456 0.988 6.556) 9.977 8.485 ( 5.604 4.168 -7.845) 10.503 8.678 ( 1.231 -1.868 1.933) 2.957 8.762 ( 1.921 -8.613 2.973) 9.312 8.824 ( -4.712 1.118 -5.033) 6.985 8.944 ( 0.998 0.930 4.849) 5.037 9.338 ( -7.110 6.015 -2.535) 9.652 9.437 ( -4.650 0.588 -7.674) 8.992 9.580 ( 5.178 3.138 1.420) 6.219 9.851 ( 8.300 -2.928 -5.933) 10.615 9.931 ( 0.871 -9.451 2.956) 9.940 10.563 ( -3.748 -15.624 -6.438) 17.309 10.610 ( 10.949 -3.875 -7.952) 14.075 10.727 ( 2.923 0.046 4.385) 5.270 10.981 ( -2.578 -1.516 -6.077) 6.773 11.110 ( -0.663 -1.294 -6.285) 6.452 11.445 ( 3.087 -0.083 7.586) 8.191 11.526 ( -0.699 0.015 2.569) 2.663 11.714 ( 0.223 3.614 3.977) 5.378 11.914 ( -1.171 0.551 6.719) 6.843 12.710 ( 0.116 7.545 3.305) 8.238 12.761 ( -7.714 1.704 -1.686) 8.077 12.953 ( 4.102 1.659 -3.654) 5.738 12.997 ( -1.433 5.048 -2.323) 5.739 13.183 ( 0.142 -5.606 -3.000) 6.360 13.574 ( 2.362 1.006 -2.194) 3.377 13.622 ( -1.084 -5.338 2.905) 6.173 14.332 ( 9.494 -12.535 4.850) 16.456 14.461 ( 5.664 -18.061 -3.461) 19.242 14.716 ( -0.851 -2.306 1.337) 2.798 14.973 ( -1.331 17.721 -0.490) 17.778 15.207 ( 3.916 -7.558 16.128) 18.237 15.765 ( -6.971 9.183 -4.635) 12.426 16.229 ( -0.904 2.162 2.828) 3.673 16.598 ( -5.676 2.495 -2.335) 6.625 17.091 ( -9.452 8.360 1.640) 12.724 17.151 ( 1.189 19.865 2.738) 20.088 17.590 ( -17.895 23.739 -0.848) 29.740 18.609 ( -7.060 14.789 -4.900) 17.104 19.356 ( 10.252 -25.187 23.547) 35.972 20.082 ( 6.198 -5.480 -0.445) 8.285 20.204 ( -0.932 -7.196 -2.610) 7.711 20.456 ( 7.757 -4.673 -3.395) 9.672 20.805 ( -0.128 -1.300 6.005) 6.146 22.142 ( 8.402 -14.873 -4.654) 17.705 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 10.257 27.205 2.267) 29.162 1.722 ( -1.179 35.234 10.502) 36.785 2.525 ( -3.692 35.040 34.052) 49.000 2.882 ( -2.115 2.833 -11.978) 12.489 3.026 ( 2.576 10.148 -8.175) 13.283 3.323 ( -6.844 -1.540 0.167) 7.017 3.483 ( 4.090 -3.686 8.210) 9.886 3.629 ( 0.695 -1.016 -1.504) 1.943 3.708 ( 0.611 -6.050 2.850) 6.715 3.864 ( 2.328 4.325 1.321) 5.086 4.073 ( -0.211 0.183 -0.253) 0.377 4.297 ( 4.536 -7.401 -5.289) 10.165 4.700 ( -13.668 -6.590 -6.195) 16.390 5.067 ( 6.263 -5.642 -0.085) 8.430 5.210 ( 4.578 -6.731 4.965) 9.535 5.398 ( -4.182 -3.401 -2.787) 6.068 5.638 ( -3.574 7.773 -14.729) 17.033 5.793 ( 0.777 -1.028 10.464) 10.543 6.102 ( 2.050 -4.689 5.569) 7.563 6.265 ( -3.951 2.236 -5.352) 7.018 6.466 ( 5.234 0.740 -4.597) 7.005 6.562 ( 1.065 1.975 -10.773) 11.004 6.907 ( -6.004 7.484 -7.820) 12.378 7.010 ( 2.591 -3.768 0.717) 4.629 7.234 ( 5.219 -4.707 3.444) 7.827 7.396 ( -0.851 3.271 2.137) 3.999 7.742 ( -4.204 -1.483 -5.300) 6.926 7.797 ( -7.931 2.896 14.012) 16.360 7.860 ( 7.080 -7.953 0.138) 10.649 8.158 ( 7.031 0.651 4.801) 8.538 8.204 ( -7.761 -3.133 4.017) 9.283 8.579 ( 4.253 0.649 -7.613) 8.745 8.587 ( -7.169 2.118 1.320) 7.591 8.685 ( -3.144 -4.651 -1.636) 5.848 8.811 ( 6.329 -2.517 -1.776) 7.039 9.074 ( -4.112 3.451 -10.991) 12.232 9.145 ( -1.974 3.085 7.376) 8.235 9.372 ( -3.184 -4.805 -2.770) 6.396 9.654 ( -2.317 4.201 -2.211) 5.283 9.870 ( -0.456 -6.321 2.360) 6.762 9.997 ( 12.094 -2.946 3.972) 13.066 10.338 ( -0.662 -13.307 -9.703) 16.482 10.608 ( -1.892 -3.686 -5.692) 7.040 10.821 ( 7.596 -2.541 -6.808) 10.513 10.866 ( -4.203 -3.869 0.914) 5.785 11.035 ( -2.019 -3.148 -4.170) 5.601 11.411 ( -5.227 -0.591 7.264) 8.968 11.654 ( 5.585 6.941 0.949) 8.959 11.744 ( -2.926 1.151 4.760) 5.705 11.905 ( -2.618 -1.685 6.760) 7.443 12.599 ( -5.247 -4.974 -3.918) 8.223 12.871 ( 4.201 5.827 1.841) 7.415 12.977 ( 0.231 1.175 1.269) 1.745 13.059 ( 2.146 6.154 -3.401) 7.351 13.108 ( -3.059 2.333 0.777) 3.924 13.531 ( -2.625 -5.225 -2.487) 6.354 13.568 ( -0.988 -4.884 0.311) 4.993 14.308 ( -1.815 -11.587 -2.845) 12.069 14.388 ( 9.657 -16.470 0.061) 19.093 14.704 ( -2.201 -3.839 -3.142) 5.427 15.025 ( 1.296 7.596 8.891) 11.766 15.352 ( -1.033 6.786 13.081) 14.773 15.786 ( 5.609 6.773 0.750) 8.826 16.243 ( -10.361 4.354 -5.081) 12.333 16.673 ( 16.864 2.922 -2.118) 17.246 17.027 ( -7.402 14.106 8.480) 18.046 17.299 ( -9.319 16.203 -2.227) 18.823 17.713 ( 3.138 29.604 -3.929) 30.029 18.600 ( -7.861 11.997 -4.113) 14.921 19.451 ( 14.536 -22.467 27.134) 38.109 20.075 ( -5.359 -4.708 3.292) 7.856 20.141 ( 9.689 -10.454 -2.352) 14.446 20.453 ( -1.582 -6.398 -3.957) 7.687 20.767 ( -3.923 -2.282 2.907) 5.389 22.017 ( -0.248 -19.240 -6.545) 20.324 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 13.359 17.206 3.495) 22.062 2.113 ( 4.344 33.644 4.018) 34.161 2.811 ( 0.835 2.457 -10.201) 10.526 3.022 ( 9.272 19.239 19.213) 28.727 3.136 ( 0.210 4.389 -2.756) 5.187 3.236 ( -2.889 7.550 -0.641) 8.109 3.485 ( -5.714 -0.875 2.390) 6.255 3.547 ( 1.345 -4.636 -1.919) 5.195 3.787 ( 6.566 -1.411 7.948) 10.406 3.960 ( -1.677 8.611 8.459) 12.187 4.080 ( 2.558 -4.089 -8.583) 9.846 4.260 ( -1.489 -8.410 0.465) 8.554 4.469 ( -3.660 3.023 2.135) 5.205 5.037 ( -4.655 -9.031 4.589) 11.149 5.188 ( -0.650 -4.580 -11.532) 12.425 5.246 ( 1.047 -9.816 -3.040) 10.329 5.546 ( -5.396 -0.868 3.589) 6.539 5.921 ( 1.938 4.120 3.906) 5.999 6.066 ( 0.792 -1.106 -0.335) 1.401 6.182 ( -2.035 2.775 -7.584) 8.328 6.556 ( 5.421 2.337 -22.742) 23.496 6.596 ( 2.905 -2.394 5.397) 6.580 6.843 ( -0.792 -0.984 -2.730) 3.008 7.074 ( 2.475 1.183 0.894) 2.885 7.309 ( 8.011 -1.992 2.437) 8.608 7.413 ( 1.091 -1.927 -2.874) 3.628 7.645 ( -6.055 0.340 0.569) 6.091 7.741 ( -6.337 4.463 10.095) 12.727 7.921 ( 1.201 -0.549 2.128) 2.505 8.026 ( -6.280 -0.661 5.279) 8.230 8.223 ( -5.204 3.879 -1.799) 6.735 8.549 ( 0.316 -0.134 -4.683) 4.695 8.573 ( 0.127 1.285 -0.938) 1.596 8.617 ( 0.137 -4.855 -0.272) 4.865 8.900 ( 7.942 -4.066 -3.728) 9.669 8.991 ( -2.612 7.562 -4.615) 9.236 9.120 ( -5.689 -11.156 2.908) 12.856 9.304 ( 3.110 -4.653 0.249) 5.602 9.550 ( -8.929 -4.750 -1.797) 10.272 9.838 ( -0.711 3.275 4.853) 5.897 10.118 ( 1.440 -8.598 -5.672) 10.400 10.246 ( 3.357 2.008 -5.081) 6.413 10.517 ( -0.301 -2.882 -1.949) 3.492 10.735 ( -4.317 -0.592 -1.158) 4.509 10.897 ( 4.237 -6.112 -1.813) 7.655 10.999 ( 4.278 -1.410 -3.662) 5.805 11.357 ( -5.662 1.352 9.075) 10.781 11.672 ( -5.643 -2.482 3.546) 7.112 11.780 ( -1.120 -0.863 -2.750) 3.092 11.852 ( -1.123 2.557 9.192) 9.607 12.479 ( 0.145 -5.414 -5.009) 7.377 12.823 ( -1.584 -10.257 -1.006) 10.428 13.088 ( -3.206 3.264 -0.804) 4.645 13.104 ( -0.150 2.705 -0.451) 2.746 13.221 ( 8.593 12.727 2.156) 15.507 13.466 ( 3.028 -4.894 -2.934) 6.460 13.490 ( -1.170 -3.005 2.247) 3.931 14.163 ( -3.834 -6.076 -1.340) 7.308 14.325 ( -1.951 -10.002 1.897) 10.366 14.562 ( -2.664 -5.138 -4.024) 7.049 15.117 ( -10.244 11.534 3.390) 15.795 15.495 ( 9.164 -2.173 7.366) 11.956 15.939 ( 0.187 12.153 -2.298) 12.369 16.228 ( 10.418 0.719 7.927) 13.111 16.950 ( 10.839 1.061 -1.920) 11.058 17.153 ( -6.424 18.460 -4.863) 20.142 17.378 ( 6.673 20.602 2.578) 21.809 18.109 ( 10.460 24.646 -3.194) 26.964 18.526 ( -8.118 3.463 -2.965) 9.311 19.564 ( 7.551 -16.080 26.509) 31.911 19.908 ( -8.821 -5.211 1.175) 10.312 20.237 ( 3.317 -11.614 5.160) 13.134 20.263 ( 0.593 -8.023 -4.229) 9.088 20.652 ( -8.284 0.628 -3.714) 9.100 21.720 ( -6.895 -20.011 -9.030) 23.011 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 7.039 4.073 0.188) 8.135 2.531 ( 5.593 26.428 -0.494) 27.018 2.865 ( 4.082 6.760 -12.605) 14.874 3.100 ( -4.146 4.241 9.925) 11.563 3.295 ( -3.601 1.192 -0.794) 3.876 3.328 ( 5.709 3.497 0.097) 6.696 3.412 ( 4.487 4.673 -2.351) 6.891 3.607 ( 5.998 -2.491 5.813) 8.716 3.933 ( 2.644 -7.551 -5.758) 9.857 3.943 ( 3.514 1.581 3.108) 4.950 4.059 ( -7.175 12.013 11.232) 17.943 4.111 ( -6.660 -6.984 -1.200) 9.725 4.577 ( -4.010 4.897 15.794) 17.015 4.895 ( 7.693 -10.077 -1.797) 12.805 5.007 ( -7.179 -3.833 -14.217) 16.382 5.191 ( 2.989 -10.830 -2.546) 11.520 5.557 ( 1.926 4.589 13.122) 14.034 5.874 ( -5.278 -1.040 -5.416) 7.634 6.075 ( 2.866 -4.871 -3.750) 6.782 6.298 ( 6.500 8.606 1.992) 10.967 6.468 ( -7.343 -1.962 -14.424) 16.304 6.625 ( 1.727 -2.296 0.987) 3.038 6.821 ( 1.254 1.396 -9.030) 9.223 7.091 ( 0.087 -3.013 1.026) 3.184 7.391 ( 0.397 -1.169 -0.984) 1.579 7.461 ( -0.314 5.858 1.570) 6.073 7.560 ( 2.679 -2.984 6.990) 8.059 7.783 ( 0.095 6.949 5.950) 9.149 7.865 ( -4.505 1.783 -3.802) 6.158 8.077 ( 1.363 6.154 3.800) 7.361 8.158 ( -1.237 0.265 0.659) 1.426 8.505 ( -1.278 -2.406 -3.114) 4.138 8.552 ( -3.254 -2.778 0.459) 4.303 8.619 ( 1.566 1.105 0.499) 1.980 8.880 ( -7.657 -13.694 1.178) 15.734 8.935 ( 2.973 -5.566 -3.739) 7.334 9.082 ( 6.884 4.072 -8.339) 11.555 9.283 ( 0.467 -6.754 0.450) 6.785 9.341 ( -5.927 -2.940 4.708) 8.120 9.879 ( -1.427 -0.288 2.241) 2.672 9.965 ( -5.094 -6.219 -8.207) 11.488 10.287 ( -2.103 11.317 -2.410) 11.761 10.563 ( 5.370 -1.532 1.440) 5.767 10.699 ( -1.151 -0.871 6.299) 6.462 10.920 ( 2.461 4.270 -4.943) 6.980 11.059 ( 6.182 -4.067 -3.539) 8.203 11.320 ( -4.138 2.400 6.691) 8.225 11.560 ( -3.840 -4.549 2.015) 6.285 11.650 ( -4.001 -7.639 1.946) 8.840 11.934 ( 0.696 1.175 3.295) 3.567 12.462 ( 3.134 -1.430 -5.112) 6.165 12.640 ( -6.831 -6.691 0.611) 9.582 12.982 ( -6.385 -5.143 -0.911) 8.249 13.133 ( 3.320 -1.886 -0.286) 3.829 13.421 ( 3.231 6.163 -3.538) 7.807 13.472 ( 2.671 -1.977 -6.344) 7.162 13.591 ( 6.242 5.752 7.382) 11.249 14.052 ( -1.104 -5.602 0.474) 5.729 14.166 ( -6.780 -5.733 1.375) 8.985 14.533 ( 1.312 1.320 0.847) 2.045 15.018 ( -12.806 8.648 9.935) 18.371 15.544 ( 3.484 -3.614 -12.605) 13.568 16.177 ( 7.588 15.389 -0.717) 17.173 16.466 ( 8.244 -0.999 15.743) 17.799 17.076 ( -5.609 6.330 -0.092) 8.458 17.204 ( 10.597 7.584 -8.665) 15.649 17.824 ( 13.418 22.168 3.019) 26.088 18.355 ( -2.549 -9.371 -4.216) 10.587 18.500 ( 6.060 18.490 -1.040) 19.485 19.621 ( 3.430 -10.499 22.244) 24.835 19.691 ( -9.621 -5.371 -1.092) 11.072 19.947 ( -15.239 -4.328 0.448) 15.848 20.397 ( 3.865 -7.498 2.726) 8.865 20.508 ( 1.793 0.507 -6.145) 6.422 21.346 ( -9.476 -17.401 -9.450) 21.952 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 5.743 -2.800 -0.274) 6.395 2.737 ( -6.963 7.363 5.495) 11.528 2.896 ( 0.238 11.964 -8.607) 14.740 3.209 ( -1.414 9.368 4.990) 10.708 3.257 ( 4.027 -2.240 0.640) 4.652 3.386 ( 0.613 0.131 -1.150) 1.310 3.590 ( 6.333 3.761 -3.836) 8.305 3.699 ( 6.065 -4.554 3.938) 8.546 3.809 ( 1.879 -8.011 -5.886) 10.117 3.880 ( -7.984 -5.107 -3.560) 10.125 4.017 ( -11.905 5.700 9.223) 16.102 4.165 ( 6.045 6.321 5.258) 10.205 4.527 ( -4.988 1.717 10.897) 12.106 4.823 ( -1.481 1.803 -14.177) 14.367 4.998 ( 7.804 -17.133 -10.176) 21.401 5.203 ( 9.785 0.382 9.003) 13.302 5.707 ( -8.909 5.341 -1.461) 10.489 5.771 ( 0.162 0.478 5.861) 5.883 5.984 ( -4.244 -6.662 4.765) 9.225 6.271 ( 1.480 -4.230 -12.781) 13.544 6.457 ( 2.285 4.418 -0.352) 4.987 6.639 ( -0.244 -0.651 8.504) 8.533 6.881 ( 6.501 7.302 -14.997) 17.902 7.028 ( -4.208 -2.888 0.607) 5.140 7.366 ( -8.771 9.203 3.320) 13.140 7.465 ( 0.530 2.992 2.536) 3.958 7.694 ( 2.555 -5.671 5.244) 8.136 7.791 ( 5.664 -0.039 -10.499) 11.929 7.899 ( 1.938 5.076 3.022) 6.217 8.152 ( 1.212 -3.768 6.045) 7.226 8.231 ( 3.568 5.348 4.870) 8.065 8.440 ( -1.148 -2.763 -0.309) 3.008 8.471 ( -5.027 2.580 -1.714) 5.904 8.581 ( -8.974 -11.251 0.700) 14.408 8.655 ( 1.447 -1.382 0.015) 2.001 8.891 ( 3.626 -5.215 -6.852) 9.343 9.193 ( 6.865 0.677 -8.901) 11.261 9.233 ( 2.103 -7.626 2.225) 8.218 9.387 ( 2.986 6.744 8.857) 11.526 9.713 ( -9.891 -6.127 -6.232) 13.199 9.877 ( 0.652 -0.902 0.106) 1.118 10.400 ( 0.950 10.968 -1.141) 11.068 10.593 ( 1.032 -6.553 0.352) 6.643 10.690 ( -3.885 0.244 7.520) 8.468 11.000 ( -0.809 10.983 -2.594) 11.314 11.130 ( 5.025 4.331 -5.377) 8.540 11.295 ( -2.938 -2.777 5.330) 6.690 11.500 ( 2.472 -5.424 -0.776) 6.011 11.550 ( -0.635 -5.152 2.760) 5.880 11.886 ( -1.322 -7.391 -1.580) 7.673 12.433 ( -5.165 7.150 -1.192) 8.901 12.626 ( 7.599 -3.080 0.336) 8.206 12.824 ( -2.525 -6.767 -0.938) 7.283 13.143 ( 1.427 -3.714 -3.562) 5.340 13.454 ( 0.662 -0.852 -1.341) 1.721 13.495 ( -0.892 5.454 -3.107) 6.340 13.723 ( 1.244 0.148 9.394) 9.477 13.968 ( -4.941 -3.845 -5.765) 8.511 14.080 ( 4.376 -6.961 4.518) 9.382 14.574 ( -2.962 7.660 -2.621) 8.620 15.018 ( -2.259 7.968 17.363) 19.238 15.495 ( 0.977 -2.314 -14.610) 14.824 16.325 ( -3.649 10.075 -10.375) 14.915 16.643 ( 1.812 4.578 21.808) 22.357 16.973 ( -8.081 2.422 -6.520) 10.661 17.495 ( 17.330 -0.433 -1.807) 17.430 18.151 ( -1.165 -4.832 -0.796) 5.034 18.224 ( 2.535 10.532 -0.766) 10.860 18.696 ( 3.048 2.366 0.575) 3.901 19.483 ( -7.559 -4.083 -6.582) 10.823 19.673 ( 4.376 -8.031 16.464) 18.834 19.734 ( -9.029 7.355 4.638) 12.535 20.221 ( -12.183 2.674 -6.265) 13.958 20.710 ( 16.477 -6.054 -0.440) 17.560 21.022 ( -5.207 -10.967 -5.418) 13.294 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 5.543 -0.993 -2.730) 6.258 2.605 ( -17.630 5.335 15.871) 24.314 2.947 ( 1.153 -1.355 -6.742) 6.973 3.139 ( -11.598 -9.529 3.693) 15.459 3.324 ( -4.086 -1.623 3.689) 5.739 3.404 ( 2.826 13.677 0.901) 13.995 3.599 ( 0.991 0.668 -7.510) 7.605 3.630 ( 0.026 -6.588 -4.028) 7.722 3.812 ( 5.569 -7.011 4.048) 9.826 3.850 ( -14.533 3.832 7.686) 16.881 3.987 ( 10.332 8.197 -11.608) 17.570 4.224 ( -1.152 -3.514 3.206) 4.894 4.624 ( 7.739 2.563 8.284) 11.623 4.795 ( -8.207 -7.059 -15.038) 18.529 4.952 ( 11.369 10.732 -8.455) 17.774 5.372 ( -9.036 2.486 4.405) 10.355 5.481 ( -2.205 -13.552 -1.260) 13.788 5.646 ( 1.574 2.588 3.353) 4.519 6.130 ( 4.661 3.553 11.251) 12.686 6.275 ( 6.982 -7.480 -7.306) 12.573 6.468 ( -3.649 3.388 -0.360) 4.992 6.708 ( 4.150 0.503 8.756) 9.702 6.916 ( -3.412 -2.308 0.029) 4.119 7.009 ( 4.374 7.349 -11.942) 14.689 7.368 ( -1.862 9.174 0.456) 9.372 7.506 ( -4.717 6.717 3.803) 9.046 7.602 ( -1.920 -12.003 6.075) 13.589 7.811 ( -4.086 2.450 -12.565) 13.438 8.019 ( 5.365 -5.880 1.355) 8.074 8.060 ( -2.335 -2.576 0.951) 3.604 8.235 ( -9.137 -4.010 3.004) 10.420 8.357 ( 4.194 0.163 0.477) 4.224 8.517 ( 1.534 10.301 -0.180) 10.416 8.573 ( 10.286 -2.528 2.406) 10.861 8.688 ( 1.499 -0.818 3.321) 3.735 8.908 ( 4.389 -1.447 -7.139) 8.504 9.219 ( 8.299 -8.508 -1.601) 11.993 9.282 ( 3.188 2.174 -4.115) 5.641 9.434 ( -10.144 1.528 -5.538) 11.658 9.613 ( 7.640 1.006 11.814) 14.105 9.916 ( 2.932 0.598 0.144) 2.996 10.443 ( -3.740 -9.033 6.872) 11.950 10.526 ( 0.117 4.456 -5.636) 7.186 10.620 ( -6.188 0.883 0.950) 6.322 11.076 ( -3.270 8.405 0.024) 9.019 11.214 ( 1.158 -8.477 1.844) 8.752 11.218 ( -4.812 13.231 -5.749) 15.208 11.476 ( 2.993 -6.667 0.131) 7.309 11.576 ( 7.251 -1.915 -2.339) 7.856 11.850 ( 3.012 -2.544 0.407) 3.963 12.478 ( -0.890 12.150 -1.547) 12.280 12.643 ( 3.269 -9.614 0.447) 10.164 12.872 ( 10.736 -0.519 -2.175) 10.967 13.109 ( 0.672 -0.617 -4.271) 4.368 13.455 ( -0.228 -3.283 3.421) 4.746 13.487 ( -6.142 7.528 0.835) 9.752 13.738 ( -2.580 -2.688 12.755) 13.288 13.815 ( -3.081 -6.387 -6.463) 9.595 14.116 ( 4.961 -5.489 2.222) 7.725 14.576 ( -1.942 6.601 -6.098) 9.194 15.153 ( 2.837 -2.194 7.723) 8.515 15.439 ( -4.126 8.269 -2.039) 9.463 16.244 ( -5.487 1.286 -8.557) 10.246 16.666 ( -17.408 9.381 3.453) 20.074 16.880 ( 1.906 -3.927 5.602) 7.102 17.638 ( 1.945 -7.099 -3.526) 8.162 18.064 ( -7.308 2.297 -0.506) 7.677 18.284 ( 2.158 0.645 -0.125) 2.256 18.692 ( -2.206 -5.880 1.852) 6.548 19.292 ( -9.991 1.329 -3.645) 10.718 19.737 ( 6.300 -7.863 9.085) 13.567 19.835 ( 4.352 9.423 0.252) 10.383 20.074 ( -5.759 8.699 -2.095) 10.641 20.715 ( 0.530 -10.023 -4.839) 11.142 21.125 ( 18.438 0.123 1.583) 18.506 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -11.084 -1.465 -7.627) 13.534 2.360 ( -26.537 5.527 19.249) 33.246 2.862 ( 2.548 -8.072 3.618) 9.205 2.927 ( -6.140 1.457 -5.452) 8.340 3.230 ( -8.991 -1.188 3.278) 9.643 3.460 ( -7.640 3.052 -0.791) 8.265 3.565 ( -0.136 -5.919 -11.279) 12.738 3.597 ( -0.464 0.070 -2.135) 2.186 3.770 ( -1.234 12.148 6.115) 13.656 3.862 ( -2.153 -4.855 5.756) 7.832 4.064 ( -0.281 -2.648 -4.930) 5.604 4.224 ( 4.748 -5.898 6.443) 9.941 4.513 ( -2.251 2.555 -20.249) 20.533 4.845 ( 6.496 5.812 4.144) 9.652 5.201 ( -2.838 -2.474 9.924) 10.614 5.258 ( 8.620 5.751 -4.426) 11.268 5.418 ( 4.157 2.089 -8.906) 10.048 5.836 ( 8.250 2.747 5.931) 10.526 6.147 ( -7.554 -3.690 8.978) 12.300 6.250 ( 2.803 -6.459 -8.334) 10.911 6.469 ( -1.753 4.948 7.761) 9.370 6.725 ( 2.910 -9.370 -2.340) 10.087 6.990 ( 6.542 -0.704 2.843) 7.168 7.092 ( 4.313 7.533 -7.512) 11.479 7.387 ( -6.437 -10.435 10.877) 16.390 7.444 ( -2.322 0.877 0.417) 2.517 7.510 ( -3.622 8.073 -1.499) 8.974 7.725 ( -1.761 4.177 -9.215) 10.270 7.849 ( -8.541 -2.542 -2.840) 9.353 8.081 ( -4.622 1.440 -0.094) 4.842 8.179 ( 6.739 -5.871 -4.228) 9.887 8.481 ( 5.474 2.172 4.173) 7.218 8.595 ( 0.345 2.621 0.514) 2.693 8.672 ( -1.362 -1.547 -1.259) 2.415 8.797 ( 12.510 1.674 3.578) 13.119 8.935 ( 1.082 -1.359 -1.575) 2.344 9.255 ( -3.589 6.743 -4.643) 8.939 9.324 ( 9.357 -4.936 -1.506) 10.685 9.418 ( 8.441 1.953 -8.151) 11.896 9.765 ( -0.102 -1.817 8.303) 8.501 9.988 ( 4.712 2.002 8.433) 9.865 10.286 ( -0.438 -14.503 3.508) 14.928 10.544 ( -4.687 6.946 2.641) 8.786 10.563 ( 2.291 -0.429 -6.686) 7.081 11.019 ( -3.275 -2.635 -0.432) 4.226 11.192 ( 0.447 -5.313 3.444) 6.348 11.253 ( -0.838 12.473 -9.232) 15.540 11.502 ( 2.881 1.318 0.658) 3.236 11.700 ( 8.059 -0.583 -5.496) 9.772 11.843 ( -3.726 -0.382 2.940) 4.762 12.627 ( 4.024 12.261 -4.545) 13.681 12.631 ( 7.606 -10.618 -0.858) 13.089 13.029 ( 6.605 -0.464 -1.967) 6.907 13.147 ( 4.026 0.633 -0.967) 4.189 13.380 ( -7.616 0.246 6.648) 10.112 13.457 ( -7.754 7.309 2.103) 10.861 13.631 ( -5.410 0.343 -4.190) 6.851 13.827 ( 10.691 -8.846 13.053) 19.051 14.158 ( 4.540 -3.240 -1.212) 5.708 14.599 ( 2.005 2.065 -4.519) 5.358 15.033 ( -2.908 -14.793 -9.670) 17.911 15.540 ( -6.419 18.940 13.624) 24.198 16.114 ( -4.602 -6.984 -6.288) 10.463 16.433 ( -14.604 9.264 -2.007) 17.411 16.885 ( -4.674 -1.497 10.737) 11.806 17.438 ( -9.456 -12.112 -7.080) 16.919 17.814 ( -22.222 8.916 -2.639) 24.089 18.479 ( -2.132 -1.143 -0.392) 2.451 18.489 ( 1.563 -3.373 -1.425) 3.981 19.149 ( -9.244 2.888 8.134) 12.648 19.782 ( 7.136 -8.494 0.413) 11.102 19.962 ( 8.972 -0.536 -4.912) 10.243 20.245 ( 5.115 14.508 8.234) 17.448 20.647 ( 2.753 -5.832 -4.724) 7.994 21.481 ( 21.377 -0.334 -0.060) 21.380 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -29.063 -4.211 2.171) 29.446 2.025 ( -28.962 13.659 3.088) 32.170 2.699 ( -27.618 5.331 5.374) 28.636 2.956 ( 0.490 2.114 -0.164) 2.176 3.110 ( 6.273 0.416 -5.159) 8.133 3.272 ( -12.011 1.631 -0.783) 12.146 3.451 ( -7.438 -5.112 -5.359) 10.496 3.552 ( 3.636 -4.511 -4.162) 7.134 3.749 ( -0.669 -2.040 4.354) 4.855 3.885 ( -0.101 6.118 4.605) 7.658 4.139 ( -0.376 -1.706 5.697) 5.959 4.245 ( 7.435 -0.489 4.503) 8.706 4.613 ( 9.501 6.936 -15.394) 19.374 4.972 ( 5.108 -0.773 0.868) 5.239 5.183 ( 3.748 -11.460 8.480) 14.741 5.358 ( 4.647 3.535 -1.078) 5.938 5.601 ( 5.812 6.986 -5.825) 10.794 5.901 ( -5.252 1.914 -4.005) 6.877 6.004 ( -4.502 -3.153 5.580) 7.832 6.207 ( 2.942 -3.297 -5.946) 7.408 6.516 ( -4.551 2.287 8.736) 10.112 6.725 ( 9.795 -6.710 -2.292) 12.092 6.983 ( -1.884 -3.206 -3.415) 5.049 7.189 ( 2.362 4.920 -0.040) 5.458 7.321 ( -12.655 2.428 4.629) 13.692 7.363 ( 0.341 -2.548 9.535) 9.875 7.498 ( 3.537 -5.641 -12.090) 13.802 7.713 ( -1.452 0.669 0.696) 1.744 7.840 ( 6.442 10.739 -4.645) 13.357 8.001 ( -4.151 -3.011 -1.303) 5.292 8.186 ( 2.606 -3.612 -1.290) 4.637 8.525 ( -0.291 -0.889 0.750) 1.199 8.652 ( 4.830 -3.318 -2.980) 6.574 8.683 ( 3.225 3.530 -0.764) 4.842 8.873 ( -6.906 -2.004 4.986) 8.750 9.004 ( 4.602 6.528 5.913) 9.938 9.344 ( 4.640 8.663 -7.580) 12.411 9.408 ( 3.713 0.794 -5.230) 6.463 9.539 ( 4.832 -5.372 -5.460) 9.057 9.670 ( -0.437 -3.424 1.445) 3.743 10.117 ( -2.033 -2.976 10.508) 11.109 10.244 ( 13.848 -9.006 -3.694) 16.927 10.582 ( 1.872 2.709 -2.233) 3.979 10.639 ( 7.021 2.717 6.746) 10.109 10.955 ( 0.815 -4.717 -2.027) 5.199 11.126 ( -2.245 -5.441 1.124) 5.992 11.368 ( 3.375 11.345 -6.733) 13.617 11.589 ( 1.743 3.609 5.960) 7.182 11.686 ( -3.970 -4.419 -4.122) 7.231 11.822 ( 0.345 1.210 -0.477) 1.346 12.629 ( 3.119 -2.676 -5.102) 6.551 12.807 ( 6.810 -0.217 -0.085) 6.814 13.031 ( -3.815 -0.418 1.282) 4.046 13.159 ( -3.702 -1.109 -2.975) 4.877 13.288 ( -9.519 5.650 1.890) 11.229 13.405 ( 3.211 -2.713 4.311) 6.021 13.647 ( 0.633 7.171 -3.542) 8.024 14.060 ( 15.415 -2.598 9.390) 18.236 14.220 ( 8.694 -3.861 1.136) 9.580 14.637 ( 3.630 -2.177 -1.434) 4.469 14.806 ( -1.133 -10.224 -9.494) 13.998 15.616 ( -13.710 15.678 12.597) 24.340 15.852 ( -9.346 -9.226 -6.846) 14.810 16.451 ( 0.552 16.929 1.754) 17.029 16.736 ( -13.222 -6.792 11.605) 18.858 17.079 ( -12.868 -10.608 -10.940) 19.945 17.549 ( -18.458 11.034 -3.684) 21.818 18.110 ( -25.893 4.790 1.030) 26.353 18.634 ( 1.447 4.618 -12.961) 13.835 19.172 ( 5.007 -3.930 25.946) 26.716 19.861 ( 10.542 -5.107 -3.580) 12.249 20.099 ( 10.177 -4.892 1.785) 11.432 20.467 ( 5.424 1.594 3.938) 6.890 20.640 ( 1.994 2.125 -5.352) 6.094 21.823 ( 20.347 -3.628 -2.061) 20.770 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -20.202 20.427 -14.478) 32.171 2.014 ( -15.998 19.084 13.501) 28.327 2.839 ( -0.673 2.196 -6.209) 6.620 3.011 ( -11.631 12.219 20.240) 26.348 3.128 ( -4.889 0.723 -4.129) 6.440 3.255 ( -3.491 3.187 -1.573) 4.982 3.421 ( 11.157 8.731 -7.617) 16.085 3.599 ( 1.662 2.138 0.838) 2.835 3.735 ( -0.842 -0.223 4.626) 4.707 3.874 ( -7.418 -1.729 1.879) 7.845 4.117 ( -2.543 1.705 1.279) 3.318 4.333 ( -6.105 -2.332 5.571) 8.588 4.750 ( 7.475 -8.905 1.926) 11.785 4.941 ( 5.334 0.112 -9.770) 11.132 5.082 ( 4.204 -5.777 10.609) 12.791 5.473 ( -6.784 -2.956 -3.500) 8.186 5.505 ( 14.639 -4.487 3.370) 15.677 5.785 ( -0.415 1.607 -8.346) 8.509 5.980 ( -3.820 0.949 -1.813) 4.334 6.221 ( 2.691 4.186 -4.523) 6.725 6.475 ( -1.800 -2.420 6.827) 7.463 6.846 ( -10.047 4.548 -17.421) 20.618 6.930 ( 4.914 -2.759 -2.159) 6.035 7.087 ( 9.536 -8.288 -6.289) 14.113 7.210 ( -9.734 7.390 0.039) 12.221 7.387 ( -2.522 0.189 7.820) 8.219 7.577 ( 9.946 -2.287 -0.780) 10.235 7.820 ( 1.669 0.968 7.321) 7.571 7.872 ( -0.666 4.553 11.012) 11.935 7.984 ( -4.477 -0.042 -3.665) 5.786 8.391 ( 5.189 5.040 -1.417) 7.371 8.514 ( -6.170 0.780 0.290) 6.226 8.538 ( 6.362 -9.812 5.229) 12.810 8.611 ( 4.604 -2.502 -6.240) 8.149 8.892 ( -1.290 0.765 -0.798) 1.699 9.085 ( -11.699 -3.078 5.283) 13.200 9.302 ( 12.120 -3.786 2.372) 12.917 9.434 ( 3.216 -1.207 -18.281) 18.601 9.482 ( 1.144 -1.353 2.045) 2.706 9.784 ( 0.045 -3.988 2.893) 4.927 9.820 ( 1.570 -0.794 -0.446) 1.815 10.368 ( 7.448 -0.227 -5.849) 9.473 10.474 ( -3.642 -11.695 -6.632) 13.930 10.731 ( 1.778 1.578 7.071) 7.459 10.973 ( -0.077 -1.284 -2.634) 2.931 11.087 ( 2.281 4.750 -5.959) 7.955 11.389 ( 3.049 -3.088 8.278) 9.346 11.574 ( -3.818 -2.528 3.126) 5.545 11.749 ( 0.953 0.764 0.731) 1.424 11.921 ( 1.883 -0.152 7.113) 7.360 12.657 ( 11.066 -0.894 0.812) 11.131 12.844 ( -2.018 -7.749 -2.035) 8.262 12.975 ( -2.463 11.970 -1.526) 12.315 13.091 ( -3.061 5.771 -0.285) 6.539 13.193 ( -6.101 1.478 -4.768) 7.883 13.417 ( 6.367 -8.758 3.151) 11.277 13.682 ( -3.599 0.427 2.905) 4.645 14.010 ( 3.968 -18.171 -3.681) 18.960 14.282 ( 3.084 -7.172 -2.330) 8.148 14.685 ( 4.063 0.110 3.919) 5.646 14.987 ( 15.477 14.309 -4.186) 21.489 15.350 ( -15.094 -1.412 13.026) 19.988 15.968 ( -4.633 14.765 -8.151) 17.490 16.315 ( -7.422 -6.084 7.374) 12.103 16.714 ( -5.423 4.165 -3.174) 7.539 17.326 ( 0.050 27.225 1.408) 27.261 17.439 ( -14.587 5.962 0.094) 15.759 18.134 ( -19.507 18.836 -1.588) 27.163 18.780 ( 0.519 3.249 -9.560) 10.110 19.121 ( -0.043 -14.971 28.519) 32.210 19.876 ( 8.632 -5.691 -6.904) 12.432 20.123 ( 7.053 -5.267 4.222) 9.762 20.238 ( 6.072 -6.729 -3.006) 9.549 20.803 ( -0.697 -2.408 2.462) 3.514 21.770 ( 13.162 -15.856 -7.052) 21.781 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -4.688 25.052 -8.095) 26.741 2.146 ( -4.965 28.708 14.504) 32.545 2.877 ( 1.473 3.292 -9.551) 10.210 2.965 ( -4.939 6.160 -1.145) 7.978 3.106 ( -4.022 7.189 9.603) 12.652 3.270 ( 2.655 -0.115 -3.981) 4.786 3.578 ( 1.691 0.682 0.007) 1.824 3.642 ( -4.533 12.955 10.370) 17.203 3.709 ( -4.461 -3.882 6.552) 8.826 3.873 ( 4.716 6.602 2.308) 8.435 4.061 ( -3.135 -2.212 -0.937) 3.949 4.226 ( -2.310 -3.737 5.155) 6.773 4.773 ( -4.365 -6.018 -2.382) 7.807 4.896 ( 5.429 -3.721 -7.912) 10.292 5.094 ( 2.534 -9.839 4.016) 10.925 5.402 ( -1.352 0.647 -0.596) 1.613 5.705 ( 1.420 3.938 -13.276) 13.920 5.805 ( 4.588 1.982 9.086) 10.370 5.951 ( 5.490 -4.474 -0.234) 7.086 6.239 ( 0.901 -2.023 -4.155) 4.708 6.496 ( 2.351 -0.180 7.593) 7.950 6.564 ( -13.709 -0.717 -19.900) 24.175 6.900 ( -1.865 -5.843 -4.285) 7.482 7.073 ( 2.024 -6.356 -0.140) 6.672 7.180 ( -5.330 12.913 -1.912) 14.100 7.409 ( 1.836 -6.889 4.416) 8.386 7.692 ( 4.789 2.353 1.553) 5.557 7.817 ( -3.928 2.100 -6.214) 7.645 7.943 ( 6.022 -2.819 5.677) 8.743 8.028 ( 0.795 7.506 9.593) 12.207 8.400 ( -8.894 0.758 7.329) 11.550 8.473 ( 3.150 -0.775 -2.951) 4.385 8.563 ( 5.265 -8.812 0.971) 10.311 8.678 ( 5.096 -0.121 -3.526) 6.198 8.814 ( -8.143 4.096 -3.753) 9.858 9.030 ( 2.673 -1.626 7.311) 7.952 9.279 ( -4.297 -0.211 -17.996) 18.503 9.343 ( -3.251 -8.991 -3.565) 10.204 9.641 ( 15.432 -2.797 7.633) 17.443 9.789 ( 4.224 -4.464 5.296) 8.113 9.830 ( -3.301 3.093 -0.083) 4.524 10.174 ( -2.890 -14.709 -8.860) 17.413 10.506 ( 4.311 -1.669 -5.891) 7.489 10.777 ( -0.663 -0.014 6.725) 6.757 10.923 ( -3.615 1.494 -4.340) 5.842 11.036 ( -3.653 -1.967 -4.066) 5.809 11.471 ( -0.318 -2.061 4.592) 5.043 11.605 ( 7.469 5.705 1.486) 9.515 11.786 ( 1.949 0.015 0.119) 1.952 11.941 ( -1.745 -2.205 10.274) 10.652 12.619 ( -6.934 -11.154 -3.228) 13.525 12.839 ( 4.767 -3.351 -0.185) 5.830 13.032 ( -0.925 6.580 1.431) 6.797 13.111 ( -2.850 8.241 -2.140) 8.978 13.184 ( 1.036 9.544 -3.964) 10.386 13.409 ( 3.269 -12.755 3.671) 13.669 13.600 ( -6.005 -1.876 -5.333) 8.248 13.975 ( 13.785 -14.866 4.083) 20.681 14.228 ( 1.172 -7.182 -5.222) 8.957 14.701 ( -1.348 -0.824 2.499) 2.956 15.190 ( -10.111 -0.319 18.158) 20.786 15.379 ( 14.210 12.288 -3.542) 19.117 15.897 ( -11.088 7.883 -5.943) 14.846 16.348 ( 5.206 9.717 -3.441) 11.548 16.646 ( -8.385 3.362 3.684) 9.756 17.291 ( -7.088 9.939 5.301) 13.309 17.598 ( -3.769 21.474 -1.367) 21.845 18.039 ( -11.591 22.037 -3.691) 25.171 18.753 ( 3.102 -2.932 -8.630) 9.628 19.164 ( 3.295 -6.821 28.109) 29.112 19.897 ( 6.319 -9.421 -1.698) 11.470 20.128 ( -3.339 -3.966 5.502) 7.560 20.304 ( 8.599 -5.996 -7.212) 12.724 20.764 ( 0.005 -5.587 2.882) 6.286 21.729 ( 6.580 -20.329 -8.461) 22.981 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 7.788 19.977 1.142) 21.471 2.436 ( -1.435 28.095 7.081) 29.009 2.802 ( -2.305 2.465 -15.109) 15.481 3.079 ( 5.433 7.079 0.204) 8.926 3.137 ( 1.705 0.088 0.832) 1.899 3.312 ( 2.287 3.731 -5.327) 6.894 3.525 ( -6.503 -3.374 3.600) 8.163 3.596 ( -4.999 -1.046 9.548) 10.828 3.808 ( 0.523 9.178 16.169) 18.599 3.975 ( -1.811 -5.494 -1.032) 5.876 4.091 ( 6.082 8.652 7.907) 13.205 4.234 ( 0.607 3.440 2.344) 4.207 4.562 ( -7.057 -2.435 -5.337) 9.177 4.966 ( 4.833 -3.849 -2.055) 6.511 5.066 ( 3.561 -5.051 -0.726) 6.223 5.271 ( -10.310 -5.573 -1.126) 11.774 5.658 ( -5.839 2.613 -5.147) 8.211 5.886 ( 3.876 -4.081 5.897) 8.152 5.995 ( 2.686 -6.415 -3.528) 7.798 6.262 ( -9.413 2.069 -13.213) 16.355 6.314 ( 11.445 -1.455 -8.160) 14.132 6.566 ( 1.912 -1.154 4.470) 4.997 6.812 ( 0.029 -1.853 -2.716) 3.288 7.050 ( 2.688 -8.085 1.964) 8.744 7.222 ( -1.310 7.667 -4.181) 8.831 7.385 ( 1.255 -2.809 4.021) 5.063 7.733 ( -1.825 2.485 -9.331) 9.828 7.841 ( 2.607 7.794 2.603) 8.621 7.986 ( -5.389 2.408 14.469) 15.627 8.142 ( -0.000 -0.152 0.305) 0.340 8.313 ( -2.477 3.883 6.694) 8.126 8.488 ( 1.858 -3.581 -0.013) 4.034 8.531 ( -0.704 -5.370 -0.852) 5.483 8.720 ( -4.728 3.540 -2.391) 6.372 8.745 ( 2.350 2.392 -5.156) 6.150 9.040 ( -0.285 -3.877 -2.225) 4.479 9.121 ( -5.955 -9.991 -5.425) 12.834 9.219 ( 2.613 -3.240 -1.535) 4.436 9.697 ( -12.021 0.472 1.886) 12.177 9.842 ( 4.207 0.077 3.843) 5.698 9.935 ( 9.727 -6.681 -1.582) 11.906 10.050 ( 9.027 -6.560 -2.555) 11.448 10.471 ( 0.243 -3.331 -8.243) 8.894 10.796 ( 1.385 -2.823 7.061) 7.729 10.860 ( -6.321 6.955 -2.807) 9.808 10.955 ( -0.998 -2.072 -2.284) 3.241 11.474 ( -1.245 1.342 5.260) 5.569 11.730 ( -1.829 -1.159 -3.279) 3.929 11.817 ( 1.334 5.367 0.819) 5.591 11.910 ( -3.356 -3.073 9.862) 10.861 12.373 ( -2.108 -15.716 -3.002) 16.138 12.784 ( -2.395 -1.816 -2.616) 3.984 13.139 ( -0.380 0.734 1.058) 1.342 13.155 ( 0.431 5.021 0.398) 5.055 13.253 ( 0.578 4.653 -2.228) 5.191 13.357 ( 3.090 -4.092 0.908) 5.208 13.479 ( -1.751 -1.095 -1.016) 2.301 14.132 ( -0.603 -5.526 -5.171) 7.592 14.142 ( 11.445 -6.376 4.769) 13.942 14.616 ( -7.566 -2.213 -4.486) 9.070 15.217 ( 4.372 1.798 14.428) 15.183 15.545 ( -5.609 5.365 -2.092) 8.039 15.919 ( 8.909 6.474 -1.253) 11.084 16.323 ( -11.779 5.519 -0.064) 13.008 16.726 ( 10.539 4.771 -0.721) 11.591 17.425 ( 0.904 16.431 7.736) 18.183 17.601 ( -10.967 16.381 -3.763) 20.069 18.195 ( 3.536 21.625 -6.656) 22.901 18.730 ( -5.102 1.901 -0.743) 5.495 19.302 ( 10.394 -10.012 19.746) 24.457 19.926 ( 8.809 -11.142 1.721) 14.307 20.006 ( -6.288 -6.429 5.713) 10.654 20.290 ( -1.398 -4.565 -4.310) 6.432 20.715 ( -1.767 -3.131 -0.239) 3.603 21.535 ( -0.183 -20.897 -10.022) 23.176 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 2.431 6.728 1.510) 7.311 2.717 ( 5.870 22.136 -3.290) 23.137 2.791 ( 1.035 6.294 -7.800) 10.076 3.178 ( 4.035 2.563 -0.610) 4.819 3.252 ( 0.778 3.342 -9.417) 10.023 3.273 ( 2.561 -8.076 0.681) 8.500 3.460 ( -1.472 7.392 -1.503) 7.686 3.594 ( -1.802 0.279 13.436) 13.560 3.853 ( -4.628 -7.056 0.260) 8.442 3.945 ( 1.873 5.244 10.653) 12.021 4.153 ( -2.102 -2.650 4.028) 5.260 4.357 ( -4.048 11.441 7.756) 14.403 4.535 ( 8.725 -4.874 -2.037) 10.200 4.913 ( -9.772 -0.381 8.102) 12.700 5.015 ( -7.515 -5.636 -8.528) 12.687 5.107 ( 1.127 2.094 -0.522) 2.434 5.603 ( 0.744 1.488 7.896) 8.070 5.852 ( 1.177 -9.299 0.312) 9.378 5.925 ( 2.146 -8.298 -14.717) 17.031 6.247 ( 5.431 6.686 -4.317) 9.635 6.441 ( 3.771 0.588 -9.711) 10.434 6.574 ( 0.214 -1.642 0.235) 1.672 6.808 ( 0.553 -0.715 -1.095) 1.420 7.031 ( 2.444 -5.747 3.146) 6.993 7.263 ( 5.539 -2.379 -2.927) 6.701 7.430 ( 1.020 3.615 3.569) 5.181 7.702 ( -1.361 -0.106 1.555) 2.069 7.921 ( -4.147 7.296 6.526) 10.631 7.979 ( -8.144 8.443 -5.433) 12.928 8.098 ( 1.242 3.728 4.206) 5.756 8.313 ( -9.417 4.316 -2.018) 10.554 8.485 ( 0.023 -3.144 0.691) 3.219 8.498 ( 5.123 -3.881 3.798) 7.466 8.662 ( -3.624 2.222 1.050) 4.379 8.816 ( 4.987 -0.382 -2.756) 5.711 8.872 ( -5.333 -14.199 1.418) 15.233 9.016 ( 0.808 -0.952 -9.377) 9.460 9.234 ( 1.380 -1.861 0.694) 2.418 9.460 ( -12.449 -2.958 3.495) 13.264 9.866 ( -1.192 -6.630 -4.216) 7.947 9.910 ( 2.018 -1.450 -1.234) 2.774 10.258 ( 11.884 0.111 -4.114) 12.577 10.468 ( 5.255 -0.789 -3.971) 6.634 10.777 ( -3.760 -1.546 8.885) 9.770 10.893 ( 1.137 10.492 0.762) 10.581 10.953 ( 3.191 -1.061 -2.187) 4.011 11.453 ( -6.382 1.087 3.789) 7.501 11.620 ( -3.368 -1.581 -0.356) 3.738 11.727 ( -11.230 -3.604 3.373) 12.267 11.929 ( 1.247 -2.278 2.165) 3.381 12.290 ( 7.586 -8.121 -1.938) 11.281 12.735 ( -4.250 2.118 -0.473) 4.772 13.031 ( -6.500 -7.709 -0.236) 10.086 13.102 ( -1.695 -3.049 1.908) 3.976 13.373 ( 3.657 0.196 -0.151) 3.665 13.402 ( 4.293 6.005 -7.904) 10.815 13.567 ( 5.992 5.458 5.606) 9.855 14.001 ( -1.872 -7.205 -5.943) 9.525 14.239 ( -4.435 -2.197 -0.290) 4.957 14.502 ( 3.125 0.446 4.616) 5.592 15.299 ( -5.998 2.512 3.313) 7.298 15.464 ( -2.804 0.857 -4.493) 5.365 16.116 ( 9.824 6.418 -3.284) 12.185 16.392 ( 8.110 2.474 17.809) 19.725 16.927 ( 10.972 1.985 -7.052) 13.193 17.426 ( -13.709 13.587 -5.830) 20.162 17.834 ( 11.530 18.692 4.604) 22.439 18.339 ( -3.623 0.788 -5.086) 6.294 18.674 ( -4.057 11.601 1.654) 12.401 19.436 ( 8.323 -9.434 7.502) 14.647 19.809 ( -7.018 -8.581 5.814) 12.517 20.049 ( 12.591 -10.934 7.145) 18.142 20.161 ( -7.801 0.594 -1.276) 7.927 20.625 ( -6.406 0.754 -3.503) 7.340 21.255 ( -4.746 -17.230 -9.693) 20.331 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 1.087 -2.662 1.037) 3.057 2.855 ( 2.639 4.732 -4.752) 7.207 2.964 ( -1.209 8.244 -8.912) 12.200 3.126 ( 4.695 -5.034 -1.973) 7.161 3.292 ( 3.741 7.115 -2.747) 8.495 3.376 ( 1.903 3.728 1.451) 4.430 3.537 ( 6.025 3.649 -5.039) 8.661 3.626 ( -1.000 -1.355 14.135) 14.235 3.721 ( -3.614 -2.664 0.444) 4.511 3.971 ( -7.292 -6.549 1.832) 9.971 4.174 ( 3.581 7.807 8.035) 11.762 4.332 ( -10.043 4.557 6.676) 12.892 4.545 ( 4.866 -13.254 -9.299) 16.906 4.785 ( -5.973 -9.618 -1.138) 11.379 4.883 ( -4.510 15.116 5.361) 16.660 5.159 ( 1.357 3.950 3.549) 5.481 5.755 ( -0.219 -2.130 -5.798) 6.181 5.826 ( 7.907 6.653 12.117) 15.925 5.851 ( 5.219 -11.286 -6.057) 13.831 6.274 ( -10.729 -7.004 -9.171) 15.757 6.422 ( 5.723 3.300 -1.053) 6.690 6.574 ( 3.409 -0.211 -6.884) 7.685 6.840 ( 2.683 2.015 0.016) 3.355 7.049 ( 1.800 -1.423 2.659) 3.512 7.347 ( 6.839 -2.707 2.820) 7.877 7.523 ( 6.576 0.516 -0.385) 6.608 7.671 ( -6.357 0.558 10.711) 12.468 7.816 ( -7.404 4.273 -17.128) 19.143 8.014 ( -3.003 11.222 7.724) 13.950 8.182 ( -3.276 -0.137 1.616) 3.655 8.205 ( 0.207 3.641 -0.662) 3.706 8.424 ( -1.569 -8.052 2.093) 8.467 8.548 ( -1.048 1.157 1.450) 2.131 8.638 ( -4.069 -5.347 1.324) 6.849 8.675 ( -2.953 0.939 4.184) 5.207 8.819 ( -1.825 -0.975 -5.526) 5.901 9.016 ( 6.075 -3.145 -8.099) 10.602 9.202 ( -2.475 -0.325 1.040) 2.704 9.396 ( 3.355 0.346 8.742) 9.370 9.767 ( -3.438 -2.359 -5.615) 6.994 9.851 ( -2.352 -4.596 -3.329) 6.144 10.388 ( 6.680 0.218 -8.739) 11.001 10.537 ( 1.947 -2.555 3.744) 4.933 10.762 ( -1.121 1.192 5.879) 6.103 11.007 ( 4.659 1.282 -2.892) 5.632 11.095 ( 6.774 11.606 3.574) 13.905 11.352 ( -4.874 -0.550 1.718) 5.197 11.501 ( -9.274 -5.214 1.254) 10.713 11.610 ( -1.946 5.077 3.232) 6.325 11.841 ( -4.682 -9.678 -0.870) 10.786 12.394 ( 9.145 -1.208 -2.472) 9.549 12.680 ( -6.190 7.876 2.370) 10.294 12.835 ( -7.156 -8.306 0.828) 10.995 13.079 ( 1.227 -2.654 1.278) 3.191 13.379 ( 1.699 -3.278 -4.342) 5.699 13.513 ( 3.676 4.783 -4.875) 7.756 13.741 ( 3.862 3.469 6.949) 8.674 13.929 ( 3.496 -4.597 -2.342) 6.232 14.036 ( -8.436 -5.808 -6.063) 11.903 14.668 ( 3.437 6.230 7.373) 10.247 15.157 ( -8.679 -1.666 2.668) 9.231 15.456 ( 1.648 4.697 -5.845) 7.677 16.388 ( 9.125 10.756 -9.072) 16.771 16.558 ( 6.622 -11.063 20.833) 24.500 17.148 ( 10.202 5.581 1.102) 11.681 17.284 ( -8.511 7.714 -11.756) 16.436 18.118 ( -8.653 -8.043 -0.095) 11.814 18.249 ( 13.088 13.407 0.616) 18.746 18.731 ( -2.815 1.118 -0.210) 3.037 19.460 ( 1.246 -0.601 -5.169) 5.351 19.670 ( -3.844 -7.301 11.247) 13.949 19.973 ( -10.059 1.875 2.530) 10.540 20.282 ( 14.498 -5.317 5.336) 16.338 20.497 ( -7.327 3.434 -6.459) 10.353 20.986 ( -5.622 -10.165 -5.376) 12.800 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 6.337 -3.410 2.285) 7.550 2.813 ( -4.813 -2.670 -13.623) 14.693 2.956 ( 1.317 0.424 6.410) 6.558 3.212 ( 2.487 -0.779 5.861) 6.414 3.358 ( -2.550 -1.413 -0.202) 2.922 3.408 ( -0.078 -0.309 0.972) 1.023 3.601 ( -1.315 -1.437 5.685) 6.009 3.612 ( -0.247 -0.339 -1.383) 1.445 3.701 ( -3.341 -4.228 2.408) 5.902 3.874 ( 7.111 10.057 -11.427) 16.802 4.174 ( -11.269 3.676 0.820) 11.882 4.286 ( -4.959 1.370 4.908) 7.110 4.467 ( 3.870 -10.797 -5.972) 12.932 4.741 ( 6.402 2.322 6.094) 9.138 5.009 ( -1.509 19.110 -4.174) 19.618 5.264 ( 5.031 -0.987 2.679) 5.784 5.650 ( -3.615 -4.108 -1.173) 5.596 5.727 ( -10.674 -4.701 0.078) 11.663 6.019 ( 2.133 -10.141 -10.031) 14.422 6.116 ( 8.017 5.592 12.180) 15.617 6.497 ( 1.586 0.077 -0.295) 1.615 6.631 ( 4.776 -0.626 -3.458) 5.930 6.889 ( 1.767 -1.980 -1.293) 2.952 7.079 ( -1.752 6.074 1.930) 6.610 7.431 ( 3.000 -7.594 7.650) 11.189 7.550 ( -4.186 -1.024 -0.353) 4.324 7.680 ( 6.508 1.920 -3.870) 7.812 7.708 ( -3.655 6.782 -7.712) 10.901 8.052 ( -5.378 1.389 6.685) 8.691 8.113 ( -7.028 0.994 -0.355) 7.107 8.243 ( 4.718 -1.401 -1.192) 5.064 8.337 ( 0.696 -7.243 1.716) 7.476 8.429 ( -3.222 -0.324 1.429) 3.539 8.616 ( 0.315 1.591 -2.027) 2.597 8.725 ( -3.787 7.686 -4.625) 9.737 8.825 ( 4.636 4.161 5.322) 8.193 9.030 ( 4.207 -6.297 -2.356) 7.931 9.227 ( 2.864 2.620 -1.192) 4.060 9.509 ( 2.955 -4.960 3.547) 6.776 9.635 ( -5.294 5.285 -1.243) 7.583 9.822 ( 3.862 -2.804 -0.594) 4.809 10.410 ( 1.991 -8.290 -1.568) 8.668 10.517 ( -2.136 0.196 1.221) 2.468 10.766 ( -3.566 2.834 0.698) 4.608 11.097 ( 4.217 -1.486 -0.259) 4.478 11.229 ( -3.277 0.120 -1.444) 3.583 11.373 ( 3.054 1.095 0.204) 3.250 11.383 ( 0.057 9.215 1.936) 9.417 11.544 ( -10.316 -2.921 -0.876) 10.757 11.749 ( 5.370 1.095 0.087) 5.481 12.529 ( 5.427 0.476 -0.291) 5.455 12.625 ( -6.489 -2.758 -0.162) 7.053 12.747 ( 1.905 6.850 0.527) 7.130 13.085 ( 0.904 0.093 0.470) 1.023 13.367 ( 3.807 -6.213 0.754) 7.326 13.577 ( 1.345 3.268 -4.332) 5.591 13.778 ( -4.982 -3.770 4.562) 7.735 13.867 ( -1.859 -0.387 -1.025) 2.158 13.979 ( 5.626 -3.533 -0.272) 6.649 14.707 ( -7.073 5.279 0.506) 8.840 15.048 ( 0.106 -7.609 -2.421) 7.985 15.579 ( 3.625 11.269 2.712) 12.144 16.348 ( -9.456 -3.795 -0.410) 10.198 16.727 ( 11.432 -6.053 -2.642) 13.202 17.046 ( -14.466 5.768 2.240) 15.734 17.466 ( 11.344 -0.662 -0.063) 11.363 17.977 ( 1.098 0.511 -0.141) 1.220 18.540 ( -5.180 10.827 -0.381) 12.009 18.565 ( 2.992 -14.539 0.350) 14.847 19.440 ( -5.554 6.215 -3.887) 9.197 19.612 ( 1.332 -8.348 8.810) 12.210 19.866 ( -3.829 0.666 -6.642) 7.695 20.334 ( -9.914 9.587 3.262) 14.172 20.527 ( 10.832 -6.813 -1.664) 12.905 20.899 ( 5.129 0.161 0.136) 5.134 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 5.181 1.659 -1.529) 5.651 2.664 ( 1.375 -8.694 -7.002) 11.247 2.874 ( -17.374 -3.673 12.396) 21.656 3.116 ( -9.172 2.616 1.410) 9.641 3.359 ( -2.704 0.456 11.546) 11.867 3.371 ( 3.036 -5.766 -4.331) 7.824 3.559 ( 2.344 -0.127 -10.205) 10.472 3.659 ( -1.475 6.025 1.290) 6.336 3.711 ( 4.969 -6.401 6.216) 10.213 3.937 ( -2.366 1.621 -2.640) 3.898 4.151 ( -5.521 8.726 -2.398) 10.601 4.191 ( -3.973 2.161 -1.443) 4.748 4.386 ( 4.851 -6.816 -10.132) 13.140 4.946 ( 2.145 10.631 8.414) 13.726 5.129 ( -1.009 -6.110 -6.602) 9.052 5.260 ( 2.802 11.839 -6.843) 13.959 5.496 ( -10.772 4.201 5.992) 13.023 5.721 ( 8.462 0.075 5.751) 10.232 6.012 ( 11.389 -11.138 -7.343) 17.541 6.252 ( -1.920 -0.844 12.181) 12.360 6.490 ( 0.043 -5.039 1.816) 5.356 6.638 ( -0.259 -1.377 -8.384) 8.500 6.918 ( 4.377 -0.229 5.050) 6.687 7.097 ( -2.591 4.258 -1.439) 5.188 7.325 ( -2.426 -15.078 6.045) 16.425 7.470 ( -1.829 -2.361 -2.262) 3.746 7.757 ( -3.895 10.238 -8.535) 13.886 7.762 ( 0.587 6.865 -2.391) 7.293 7.962 ( -6.490 1.660 1.867) 6.954 8.019 ( -0.083 -1.682 -0.037) 1.685 8.201 ( -5.951 -0.519 -0.088) 5.974 8.406 ( 6.135 0.424 4.034) 7.355 8.534 ( 11.236 -1.117 -0.348) 11.297 8.614 ( 0.527 -0.403 -3.383) 3.447 8.686 ( 0.331 -0.546 -4.210) 4.258 8.989 ( 0.488 11.409 3.789) 12.032 9.084 ( 8.120 -3.017 1.818) 8.851 9.300 ( 3.363 0.860 -1.203) 3.674 9.404 ( -4.478 2.074 -6.339) 8.033 9.743 ( 6.539 -0.680 6.386) 9.166 9.870 ( 3.540 -2.448 -0.722) 4.364 10.300 ( -6.684 -8.695 11.489) 15.883 10.490 ( 1.990 -1.539 -5.172) 5.751 10.707 ( -6.107 3.130 -0.253) 6.867 11.028 ( -3.686 -8.071 -0.721) 8.902 11.205 ( -3.098 2.586 0.784) 4.111 11.309 ( -0.922 -0.676 -5.003) 5.132 11.499 ( 3.681 4.702 -2.102) 6.331 11.572 ( 5.046 8.547 -3.304) 10.461 11.874 ( 2.903 2.908 2.688) 4.910 12.434 ( -0.241 -10.572 1.530) 10.685 12.703 ( 1.933 11.348 -5.389) 12.710 12.870 ( 6.419 2.415 -1.764) 7.081 13.142 ( 1.956 3.550 4.046) 5.727 13.379 ( 3.505 -8.071 5.112) 10.176 13.606 ( 1.006 3.053 -4.035) 5.159 13.647 ( -3.691 -2.005 -3.331) 5.361 13.848 ( -5.604 1.228 12.907) 14.125 14.043 ( 5.319 -1.593 -0.747) 5.602 14.612 ( -5.008 -0.058 -1.257) 5.163 14.919 ( -2.922 -9.905 -9.064) 13.740 15.769 ( 2.131 11.819 1.113) 12.061 16.151 ( -6.880 -6.742 8.202) 12.651 16.614 ( -7.984 -6.652 -12.825) 16.507 17.008 ( -1.690 2.562 6.939) 7.587 17.481 ( -6.244 -1.493 1.026) 6.501 18.116 ( -1.447 0.905 0.646) 1.825 18.303 ( -0.301 1.390 -2.465) 2.846 18.644 ( -2.626 1.861 3.142) 4.499 19.361 ( -9.012 3.894 3.695) 10.489 19.595 ( 3.085 -10.720 4.810) 12.148 19.794 ( 3.884 -1.480 -13.836) 14.447 20.323 ( 0.618 0.335 0.862) 1.112 20.612 ( -0.479 8.419 4.876) 9.741 21.122 ( 17.710 -0.525 -0.870) 17.740 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -14.693 1.224 0.533) 14.753 2.501 ( -19.712 1.358 -6.093) 20.677 2.766 ( 15.793 -3.301 2.056) 16.265 3.026 ( -8.561 4.796 5.672) 11.334 3.256 ( -9.368 0.706 0.962) 9.444 3.371 ( -1.102 -2.496 -4.553) 5.308 3.544 ( -11.203 5.979 -2.731) 12.989 3.566 ( -4.168 -1.903 1.175) 4.730 3.773 ( -2.337 -2.967 4.515) 5.886 3.930 ( 0.797 -3.759 -0.322) 3.856 4.019 ( 6.693 1.623 1.250) 6.999 4.278 ( 0.073 2.738 10.977) 11.314 4.486 ( 8.344 11.291 -18.758) 23.430 4.980 ( -0.465 -11.891 -3.834) 12.502 5.039 ( -3.920 4.296 8.632) 10.409 5.353 ( -0.726 1.462 6.765) 6.959 5.541 ( 4.948 7.579 -8.140) 12.174 5.878 ( 7.402 1.245 -7.343) 10.501 6.092 ( 0.450 -1.843 4.241) 4.646 6.169 ( -3.659 -3.924 6.849) 8.700 6.436 ( 6.757 -10.683 -2.073) 12.809 6.617 ( -0.594 2.121 1.855) 2.880 6.955 ( -2.003 -2.701 0.541) 3.406 7.156 ( 8.038 0.678 -0.513) 8.083 7.205 ( 2.942 -9.415 2.832) 10.262 7.428 ( -0.267 -2.315 -1.726) 2.900 7.627 ( -13.028 4.867 -5.900) 15.107 7.806 ( -5.107 4.781 -2.879) 7.565 7.905 ( -3.336 8.322 -1.924) 9.170 8.042 ( -1.348 2.538 0.318) 2.891 8.143 ( 0.597 -0.631 4.246) 4.334 8.469 ( 3.386 -5.127 0.642) 6.177 8.539 ( 1.202 -2.827 -4.298) 5.283 8.682 ( 0.716 2.812 -2.024) 3.538 8.844 ( 14.623 0.079 3.262) 14.982 9.058 ( -6.091 4.656 7.856) 10.977 9.214 ( 10.107 -2.505 -3.267) 10.913 9.353 ( 4.443 1.752 -3.499) 5.920 9.423 ( 1.638 8.686 -9.906) 13.276 9.762 ( -6.158 -1.975 4.394) 7.819 9.921 ( 10.320 -9.113 -2.764) 14.043 10.144 ( -4.290 -5.893 6.489) 9.759 10.563 ( 5.559 1.520 6.235) 8.490 10.649 ( -3.109 2.387 1.391) 4.159 10.899 ( -1.596 -5.417 -3.755) 6.781 11.133 ( -3.470 -4.807 2.059) 6.276 11.365 ( 4.268 7.079 -6.591) 10.572 11.600 ( 2.007 3.265 -1.504) 4.117 11.686 ( 1.997 5.220 -1.874) 5.895 11.883 ( -4.351 0.739 2.858) 5.258 12.414 ( 8.630 -10.433 0.891) 13.569 12.805 ( 0.213 10.962 -6.334) 12.662 12.971 ( 5.639 -2.693 -3.582) 7.202 13.185 ( -2.051 0.061 4.287) 4.752 13.358 ( 1.689 -6.991 3.498) 7.998 13.518 ( -7.415 -2.036 -2.752) 8.167 13.698 ( -0.410 9.310 -0.033) 9.319 13.909 ( 6.198 3.789 16.085) 17.649 14.107 ( 3.565 -0.744 -1.732) 4.032 14.558 ( 1.389 -2.189 -1.435) 2.963 14.712 ( -3.535 -8.652 -10.050) 13.724 15.839 ( -1.121 2.314 -9.035) 9.394 16.023 ( -12.928 1.040 12.917) 18.305 16.434 ( 2.457 -6.300 -2.819) 7.326 16.970 ( -5.811 -0.883 1.238) 6.007 17.293 ( -18.203 6.559 3.307) 19.629 17.898 ( -14.520 2.762 -3.223) 15.128 18.491 ( -1.257 4.848 -3.791) 6.281 18.577 ( -2.325 8.294 1.620) 8.765 19.251 ( -7.105 -3.570 13.907) 16.019 19.600 ( 9.098 -7.738 -0.126) 11.944 19.876 ( 10.158 -1.974 -5.020) 11.502 20.318 ( 4.602 -9.516 -4.520) 11.496 20.722 ( -2.039 11.897 5.599) 13.306 21.420 ( 19.519 -4.283 -3.228) 20.242 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -21.191 10.958 -13.326) 27.326 2.305 ( 2.226 5.677 9.218) 11.053 2.932 ( -7.064 5.542 -6.011) 10.805 3.135 ( -6.821 -0.532 0.858) 6.895 3.218 ( 10.266 5.727 -1.472) 11.847 3.335 ( 0.053 2.982 12.608) 12.956 3.437 ( -8.813 7.659 -7.382) 13.814 3.549 ( 0.251 -1.420 -6.009) 6.180 3.816 ( -0.563 3.846 6.715) 7.759 3.909 ( -1.837 -4.576 -0.737) 4.986 4.146 ( 4.217 1.780 1.998) 4.994 4.479 ( -5.404 -14.129 9.194) 17.702 4.566 ( 8.772 -1.359 -2.220) 9.150 4.882 ( 10.974 10.315 -3.857) 15.547 5.073 ( -13.937 4.244 16.020) 21.654 5.282 ( 2.440 -8.601 2.643) 9.323 5.550 ( -1.134 1.886 -4.885) 5.357 5.733 ( -4.762 -8.274 -3.969) 10.339 5.974 ( 5.244 -2.920 -5.596) 8.206 6.279 ( -2.767 7.818 0.426) 8.304 6.475 ( 1.817 -2.175 -5.062) 5.802 6.704 ( 12.258 -7.180 2.096) 14.360 6.891 ( -0.093 -1.130 -2.764) 2.988 6.988 ( -5.198 8.587 -12.317) 15.889 7.304 ( 11.271 1.199 -2.844) 11.686 7.389 ( 0.602 0.612 1.147) 1.433 7.579 ( -10.634 0.517 7.598) 13.079 7.903 ( -4.432 3.468 3.968) 6.886 7.989 ( -1.714 5.428 4.286) 7.125 8.064 ( -3.698 2.266 1.351) 4.543 8.293 ( 7.404 -10.790 -0.760) 13.108 8.383 ( 2.221 5.760 2.371) 6.613 8.493 ( 2.116 -2.804 -0.519) 3.551 8.638 ( -3.576 -1.947 -0.302) 4.083 8.820 ( 4.484 -14.112 0.002) 14.807 9.089 ( 4.794 1.035 3.302) 5.913 9.219 ( 1.145 2.034 -10.090) 10.357 9.318 ( -3.559 1.273 -4.312) 5.734 9.472 ( -2.226 -8.097 -0.558) 8.416 9.643 ( 2.068 -8.359 0.740) 8.642 9.893 ( 1.798 5.776 4.379) 7.468 10.277 ( 7.030 9.111 -5.037) 12.562 10.441 ( -8.127 -8.555 -8.283) 14.417 10.740 ( 2.109 0.920 6.541) 6.934 10.932 ( 4.666 2.638 -0.811) 5.422 11.093 ( 1.585 6.374 -0.549) 6.591 11.355 ( -0.743 -5.900 4.679) 7.567 11.629 ( -2.593 -1.738 4.194) 5.228 11.698 ( -1.347 -7.174 -2.642) 7.763 11.927 ( 2.037 1.343 5.793) 6.286 12.424 ( 12.278 -0.334 -0.414) 12.289 12.799 ( -3.176 -7.700 -1.914) 8.546 13.088 ( 0.238 11.964 -3.878) 12.579 13.146 ( 2.923 -6.976 4.280) 8.690 13.223 ( 0.341 -0.811 -2.690) 2.831 13.384 ( -7.151 2.912 0.270) 7.725 13.755 ( -3.373 -5.298 8.380) 10.473 13.900 ( -7.918 -5.987 -5.836) 11.515 14.153 ( 2.681 -5.211 -7.041) 9.161 14.632 ( 7.543 4.701 7.852) 11.860 14.814 ( 13.591 7.665 -6.099) 16.754 15.624 ( -10.266 0.164 11.538) 15.445 16.137 ( -2.717 13.405 -7.498) 15.598 16.356 ( 1.091 -1.263 0.325) 1.700 16.866 ( -7.016 2.120 4.959) 8.849 17.596 ( -2.871 17.883 -4.381) 18.634 17.742 ( -13.420 6.633 0.786) 14.991 18.512 ( -4.426 1.887 -5.626) 7.403 18.663 ( -4.966 -7.225 3.386) 9.398 19.254 ( -3.877 4.927 16.663) 17.804 19.630 ( 12.071 -0.569 -6.946) 13.939 19.886 ( 7.348 -10.039 -3.670) 12.971 20.139 ( 4.286 -0.275 7.203) 8.386 20.845 ( -7.134 -2.089 0.872) 7.485 21.355 ( 12.858 -14.271 -8.121) 20.855 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -10.442 16.052 -13.760) 23.580 2.498 ( 1.515 15.497 12.997) 20.282 2.874 ( -3.180 7.712 -4.866) 9.657 2.987 ( -6.040 -4.352 -0.109) 7.445 3.248 ( -4.738 0.695 -0.463) 4.811 3.363 ( -5.546 9.892 -3.564) 11.887 3.568 ( 2.343 2.080 -0.518) 3.176 3.607 ( 12.109 5.213 -0.699) 13.202 3.833 ( -2.920 -2.536 5.218) 6.495 3.868 ( 1.438 -0.023 7.635) 7.769 4.177 ( -2.730 2.449 1.953) 4.155 4.292 ( -5.510 -7.205 9.310) 12.998 4.679 ( 9.698 -6.651 -9.441) 15.081 4.912 ( -11.005 7.877 -5.028) 14.437 4.996 ( -3.848 -4.811 11.273) 12.847 5.443 ( 7.396 -1.299 4.212) 8.610 5.519 ( 7.257 4.767 -0.826) 8.722 5.668 ( 6.332 -8.609 -3.714) 11.314 5.952 ( -2.556 -1.202 -3.219) 4.283 6.268 ( -5.788 1.739 -3.704) 7.088 6.442 ( 1.924 -3.627 1.324) 4.314 6.690 ( -4.707 -4.639 -8.277) 10.592 6.854 ( 0.051 -2.662 -5.321) 5.950 7.012 ( -0.765 5.125 -5.793) 7.773 7.341 ( -3.055 2.943 3.025) 5.210 7.399 ( -4.734 -0.906 0.026) 4.820 7.624 ( 10.120 4.479 5.468) 12.344 7.824 ( -3.039 0.049 2.692) 4.061 7.977 ( -5.662 3.993 -3.802) 7.903 8.110 ( 1.810 3.324 6.510) 7.530 8.344 ( 8.375 -8.399 0.632) 11.878 8.440 ( 1.046 1.936 -2.518) 3.344 8.538 ( -2.857 0.446 0.397) 2.919 8.600 ( 4.234 1.703 4.030) 6.088 8.791 ( 6.728 -9.677 1.146) 11.842 9.096 ( -4.105 -3.364 0.986) 5.398 9.221 ( -3.548 0.316 -9.994) 10.610 9.251 ( -0.444 -8.042 -6.925) 10.622 9.385 ( 9.134 -3.481 1.403) 9.875 9.665 ( 5.295 -3.755 4.686) 8.006 9.969 ( -0.079 2.020 2.415) 3.149 10.135 ( -10.880 -5.809 -6.044) 13.735 10.445 ( 2.450 5.131 -3.798) 6.838 10.802 ( 0.770 -1.159 6.757) 6.899 10.979 ( -0.584 4.365 -2.267) 4.953 11.096 ( -5.274 1.612 -3.317) 6.435 11.444 ( 3.945 -0.022 4.504) 5.988 11.526 ( 4.202 -2.214 1.450) 4.966 11.700 ( 3.871 -2.841 -2.357) 5.349 11.974 ( 1.389 -3.412 8.784) 9.525 12.591 ( -6.432 -12.440 -3.617) 14.464 12.659 ( 11.743 0.004 -0.647) 11.761 13.120 ( -2.433 3.642 -5.158) 6.767 13.154 ( 2.627 -4.903 5.617) 7.905 13.234 ( 1.914 -4.361 -8.334) 9.599 13.325 ( -5.282 9.513 2.782) 11.231 13.681 ( -3.442 -5.480 0.740) 6.513 13.765 ( 0.140 2.158 6.947) 7.276 14.103 ( 2.056 -6.831 -7.239) 10.163 14.748 ( -1.059 1.096 5.645) 5.847 15.130 ( 17.622 4.294 -4.882) 18.784 15.495 ( -12.713 1.343 14.001) 18.959 16.149 ( -8.026 13.426 -16.845) 22.987 16.381 ( -0.509 5.405 7.897) 9.583 16.843 ( -3.819 8.196 5.747) 10.715 17.515 ( -9.312 1.582 -1.707) 9.599 17.855 ( -0.943 24.843 -0.568) 24.867 18.438 ( -10.671 11.521 -1.730) 15.799 18.459 ( 2.646 -19.252 -2.914) 19.650 19.344 ( -3.000 7.680 18.587) 20.334 19.728 ( 3.520 -5.278 -0.313) 6.352 19.991 ( 15.641 -5.427 -6.554) 17.806 20.185 ( -2.743 -0.997 6.188) 6.842 20.713 ( -1.690 -6.709 -0.308) 6.926 21.351 ( 9.620 -18.334 -9.272) 22.686 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 2.294 16.103 -5.123) 17.053 2.715 ( -2.028 13.680 -1.772) 13.943 2.827 ( -1.839 5.445 -1.168) 5.865 3.001 ( 4.932 2.719 4.301) 7.086 3.154 ( -4.372 0.684 -0.696) 4.479 3.373 ( -3.572 6.200 -1.867) 7.395 3.579 ( -2.141 -2.864 -1.861) 4.031 3.653 ( -2.585 -4.425 5.788) 7.730 3.874 ( 3.020 1.362 7.787) 8.463 3.990 ( 7.548 -0.686 3.356) 8.289 4.157 ( -5.921 7.215 6.176) 11.192 4.263 ( 1.148 1.330 4.942) 5.245 4.609 ( -2.764 -5.741 -15.843) 17.077 4.837 ( 3.849 -2.255 -1.665) 4.762 5.021 ( -0.736 6.705 10.038) 12.094 5.417 ( -6.719 1.743 1.325) 7.067 5.623 ( 7.185 -7.742 -10.472) 14.874 5.791 ( 7.188 -9.376 -2.552) 12.087 5.864 ( -5.402 -1.688 3.157) 6.480 6.192 ( 1.526 1.510 0.846) 2.307 6.386 ( -6.461 -0.305 -8.201) 10.445 6.549 ( -1.263 -1.515 1.169) 2.293 6.806 ( -1.505 0.026 -4.018) 4.291 6.975 ( -1.582 -2.326 0.852) 2.939 7.280 ( -3.526 -4.848 0.122) 5.996 7.403 ( 0.081 7.902 1.034) 7.970 7.724 ( -1.780 0.376 -7.361) 7.583 7.909 ( 6.224 3.486 6.173) 9.434 8.031 ( 5.137 11.184 2.684) 12.597 8.155 ( -1.406 -0.829 8.085) 8.248 8.367 ( 1.501 -5.277 -3.804) 6.676 8.455 ( 1.666 0.690 -6.689) 6.928 8.496 ( -2.628 -0.361 10.549) 10.878 8.708 ( 1.763 4.310 -1.093) 4.783 8.830 ( 3.403 -5.826 -3.227) 7.479 8.964 ( -4.384 -8.014 2.032) 9.357 9.060 ( -2.346 -10.465 -7.014) 12.815 9.142 ( -0.772 1.093 -7.359) 7.480 9.622 ( 16.303 -3.158 -1.329) 16.659 9.758 ( 5.581 -0.499 4.299) 7.062 9.882 ( -2.654 -8.398 -1.942) 9.019 9.992 ( -8.642 6.477 6.537) 12.624 10.442 ( -2.981 -0.268 -4.751) 5.615 10.801 ( -0.694 -0.996 3.135) 3.361 10.968 ( -3.285 -2.047 -0.360) 3.888 11.032 ( -4.455 9.391 -1.028) 10.445 11.460 ( 3.698 -2.075 3.312) 5.381 11.697 ( 3.626 0.088 -5.184) 6.326 11.751 ( 7.819 2.907 -1.868) 8.549 11.984 ( 0.608 -5.687 9.180) 10.816 12.276 ( -9.963 -15.549 -2.532) 18.640 12.791 ( 2.094 1.633 -3.217) 4.171 13.105 ( 2.072 -4.625 -0.631) 5.107 13.141 ( 1.200 -8.044 -8.175) 11.532 13.210 ( 3.246 3.436 4.532) 6.548 13.365 ( -2.055 6.464 1.841) 7.028 13.590 ( -7.154 5.279 1.341) 8.992 13.937 ( 10.337 -0.029 8.105) 13.136 14.037 ( 2.400 -5.025 -6.017) 8.199 14.703 ( -5.687 0.003 -2.262) 6.121 15.294 ( -4.015 -5.650 18.506) 19.762 15.493 ( 11.396 5.412 -8.911) 15.445 15.997 ( -12.081 7.487 -4.010) 14.767 16.498 ( 0.519 9.434 -10.906) 14.429 16.811 ( -11.311 4.736 12.366) 17.415 17.510 ( 4.974 6.276 4.260) 9.071 17.957 ( -11.622 15.030 -1.860) 19.091 18.332 ( -0.543 6.889 -5.431) 8.789 18.558 ( 12.593 -2.260 0.733) 12.815 19.394 ( -8.010 5.819 14.856) 17.853 19.715 ( 4.619 -10.073 3.895) 11.746 20.054 ( -4.386 -5.576 -5.163) 8.774 20.187 ( 6.950 -0.273 1.746) 7.171 20.673 ( 2.257 -3.902 0.970) 4.611 21.253 ( 4.898 -18.006 -9.529) 20.953 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 3.375 7.345 0.649) 8.110 2.669 ( 0.137 1.310 -11.155) 11.233 2.935 ( -1.683 8.422 2.404) 8.919 3.132 ( 7.406 1.725 2.774) 8.094 3.196 ( -0.230 7.072 5.544) 8.989 3.291 ( -4.478 0.181 -4.571) 6.401 3.499 ( -1.208 -4.652 -5.496) 7.301 3.611 ( -0.206 -2.490 5.162) 5.735 3.946 ( -1.898 2.824 6.449) 7.292 4.032 ( -0.947 0.196 2.814) 2.976 4.203 ( -2.131 6.004 9.038) 11.058 4.312 ( 4.486 -5.008 -2.935) 7.337 4.481 ( -0.664 -3.005 -6.134) 6.863 4.935 ( 4.106 2.200 -1.000) 4.764 5.114 ( -1.041 3.946 6.402) 7.593 5.300 ( -11.428 10.734 3.285) 16.019 5.634 ( 6.900 -6.019 -8.365) 12.402 5.660 ( -3.217 -10.298 4.949) 11.870 5.739 ( 0.519 -10.416 -8.565) 13.495 6.256 ( -0.985 4.414 -5.626) 7.219 6.353 ( 3.664 2.536 1.219) 4.620 6.563 ( 0.888 -1.207 1.692) 2.260 6.786 ( 0.291 0.622 -2.627) 2.716 6.945 ( 1.081 -3.667 2.353) 4.489 7.200 ( -0.472 -2.250 -0.943) 2.485 7.487 ( 0.011 5.816 2.653) 6.392 7.654 ( 0.237 -3.504 -5.303) 6.360 8.072 ( 1.363 6.870 2.342) 7.385 8.130 ( -2.193 1.222 8.096) 8.476 8.217 ( -3.800 10.050 -2.209) 10.969 8.357 ( 5.953 1.048 3.377) 6.924 8.430 ( -1.745 -2.377 -5.936) 6.628 8.480 ( -1.758 -1.967 2.921) 3.936 8.738 ( 0.660 -6.891 -1.513) 7.086 8.751 ( -2.344 0.033 2.963) 3.778 8.813 ( -2.434 -5.742 -2.060) 6.568 8.955 ( -0.338 -3.386 -5.586) 6.541 9.167 ( 2.938 0.359 -1.505) 3.321 9.670 ( -4.956 -3.333 -0.864) 6.035 9.831 ( -1.018 0.596 0.082) 1.183 9.903 ( -5.835 1.251 3.299) 6.819 9.967 ( 15.703 -3.161 -0.683) 16.033 10.373 ( 0.367 -1.184 -3.641) 3.846 10.804 ( 0.152 -0.847 3.880) 3.975 10.909 ( -0.402 -0.880 -1.472) 1.762 11.067 ( -3.195 10.036 2.233) 10.766 11.536 ( 1.493 1.090 2.482) 3.095 11.653 ( -2.852 -1.747 -3.468) 4.818 11.845 ( -0.045 -3.136 -4.385) 5.391 11.957 ( -10.280 -0.467 8.445) 13.312 12.043 ( 9.270 -9.093 -2.383) 13.202 12.811 ( -0.943 4.787 -0.951) 4.971 13.020 ( -1.473 -9.317 -0.601) 9.452 13.098 ( -0.175 -2.535 -0.767) 2.654 13.338 ( 3.774 4.014 -0.100) 5.510 13.385 ( -0.651 2.284 -0.275) 2.391 13.572 ( -0.294 4.011 2.267) 4.617 13.931 ( -0.141 -5.184 -5.057) 7.244 14.225 ( 8.015 2.799 7.162) 11.107 14.530 ( -7.297 -1.944 -5.037) 9.077 15.314 ( 2.018 -1.382 8.043) 8.406 15.568 ( -3.160 1.755 -4.635) 5.878 16.001 ( 5.074 2.671 -1.470) 5.920 16.419 ( -4.599 2.392 1.608) 5.428 16.820 ( 2.280 3.215 0.349) 3.957 17.715 ( 0.038 7.236 2.109) 7.537 17.857 ( -3.553 8.844 -0.721) 9.559 18.418 ( -0.736 5.705 -3.871) 6.934 18.721 ( 5.534 -1.507 2.315) 6.185 19.360 ( -2.556 3.649 4.701) 6.477 19.712 ( 4.380 -10.642 1.627) 11.622 19.920 ( -1.993 -4.003 2.627) 5.186 20.256 ( -0.626 1.069 0.551) 1.356 20.681 ( -0.478 0.468 0.214) 0.702 21.106 ( 0.181 -12.053 -7.120) 14.000 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -3.767 -4.963 1.399) 6.386 2.728 ( 7.527 -1.278 -0.843) 7.681 3.013 ( 2.083 4.147 -0.157) 4.643 3.054 ( -5.137 -6.288 -8.396) 11.680 3.325 ( 6.448 5.047 -1.467) 8.318 3.357 ( -0.716 1.762 -2.227) 2.929 3.418 ( 3.743 0.683 0.147) 3.807 3.626 ( 1.155 0.268 1.786) 2.144 3.915 ( -7.430 2.440 5.198) 9.390 4.013 ( -3.122 -1.747 -1.072) 3.735 4.253 ( -0.370 2.945 10.625) 11.031 4.301 ( 3.265 -5.181 -5.390) 8.158 4.445 ( -0.221 -3.619 3.606) 5.114 4.856 ( -8.617 -2.536 -5.559) 10.564 5.141 ( -2.505 5.636 6.625) 9.051 5.296 ( -7.268 14.018 2.208) 15.943 5.587 ( 4.719 -13.126 -1.590) 14.039 5.677 ( 3.550 -0.343 -7.064) 7.913 5.771 ( 10.039 3.757 7.499) 13.082 6.285 ( 0.565 -2.039 -2.264) 3.099 6.375 ( 0.365 -0.835 -3.519) 3.635 6.537 ( -1.253 1.032 -5.058) 5.312 6.800 ( 2.128 -0.936 2.000) 3.066 6.973 ( 4.117 -2.137 2.224) 5.144 7.225 ( 4.741 0.069 0.554) 4.774 7.516 ( -1.717 -0.075 0.377) 1.759 7.654 ( 4.127 -1.605 3.271) 5.506 7.986 ( -10.805 1.741 -7.377) 13.198 8.169 ( 0.660 2.415 -2.265) 3.376 8.237 ( -5.153 6.803 1.767) 8.715 8.352 ( -3.110 -4.963 -2.213) 6.261 8.363 ( -3.270 -1.890 5.550) 6.713 8.534 ( 4.081 1.898 -0.563) 4.536 8.654 ( -2.177 -2.002 0.974) 3.114 8.730 ( -0.871 0.716 7.656) 7.738 8.828 ( 1.438 2.752 -0.062) 3.106 8.926 ( 0.631 0.944 -2.412) 2.666 9.198 ( 2.903 -2.316 -3.016) 4.784 9.506 ( -12.007 2.934 6.291) 13.869 9.779 ( -2.086 1.425 -2.157) 3.322 9.840 ( -2.759 -3.331 -3.551) 5.596 10.166 ( 11.828 -4.558 -6.595) 14.289 10.427 ( 6.804 -0.830 -0.202) 6.858 10.807 ( -0.508 -1.345 4.120) 4.363 10.930 ( 3.384 0.805 -0.439) 3.506 11.140 ( 1.389 4.002 2.283) 4.812 11.457 ( -7.165 0.395 -1.805) 7.400 11.617 ( -3.441 -0.853 3.804) 5.200 11.762 ( -8.069 9.969 -0.295) 12.829 11.839 ( -2.729 -5.864 3.788) 7.496 12.191 ( 11.522 -0.848 -3.828) 12.171 12.834 ( -2.020 0.703 1.631) 2.690 12.906 ( -5.745 1.974 1.240) 6.200 13.069 ( -1.073 -0.981 2.727) 3.091 13.328 ( -1.617 -3.708 -1.641) 4.366 13.447 ( 4.186 1.327 -4.870) 6.557 13.673 ( 7.456 -0.203 2.336) 7.815 13.879 ( -1.101 0.350 -0.348) 1.206 14.122 ( -10.928 -4.947 -8.330) 14.605 14.628 ( 9.174 3.076 9.224) 13.368 15.299 ( -4.026 3.399 -9.661) 11.005 15.492 ( -6.134 -0.100 4.229) 7.451 16.117 ( 14.056 -3.794 -1.736) 14.662 16.523 ( 4.044 -4.270 16.634) 17.643 16.925 ( 11.569 4.016 -12.072) 17.196 17.571 ( -14.121 3.616 -3.167) 14.917 18.088 ( 14.182 2.273 1.480) 14.439 18.293 ( -13.519 0.292 1.074) 13.565 18.717 ( -0.696 -8.728 -0.507) 8.771 19.454 ( 4.219 9.393 -4.341) 11.175 19.662 ( -0.125 -6.260 -1.790) 6.512 19.962 ( 6.888 -4.310 10.128) 12.984 20.203 ( -5.598 2.304 -2.161) 6.428 20.645 ( -5.114 1.955 -1.890) 5.792 20.992 ( -3.622 -0.476 -0.099) 3.654 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 2.544 -8.912 6.343) 11.231 2.797 ( -4.867 -9.474 -4.654) 11.623 2.872 ( 5.001 2.889 -5.189) 7.765 3.117 ( 6.833 -4.706 2.074) 8.552 3.275 ( 3.549 -7.172 -4.174) 9.025 3.483 ( 2.684 1.616 -2.009) 3.721 3.526 ( 0.815 2.084 8.456) 8.747 3.675 ( -0.566 -2.178 3.267) 3.967 3.813 ( -5.752 4.687 -3.252) 8.101 3.869 ( -4.887 1.106 -7.389) 8.928 4.280 ( 0.197 -2.282 -4.293) 4.866 4.305 ( 1.261 -3.654 -2.885) 4.823 4.429 ( -5.484 3.550 11.448) 13.181 4.755 ( 0.569 6.122 4.187) 7.439 5.196 ( 0.904 2.221 4.315) 4.937 5.331 ( -5.229 15.087 -1.873) 16.077 5.551 ( 5.149 -10.257 -5.853) 12.883 5.650 ( -3.113 -2.880 -3.328) 5.390 5.983 ( 2.647 -4.856 0.302) 5.539 6.158 ( -2.048 4.819 5.200) 7.379 6.440 ( 3.420 -1.563 1.277) 3.971 6.566 ( 2.964 4.662 -3.358) 6.465 6.834 ( 2.115 -1.971 1.535) 3.273 7.058 ( 6.424 -2.718 5.072) 8.624 7.339 ( 5.766 0.327 1.257) 5.910 7.470 ( 1.177 -4.052 -2.849) 5.091 7.726 ( -4.370 -2.541 4.487) 6.759 7.797 ( -2.456 5.732 -7.960) 10.112 8.102 ( -2.980 -7.626 -0.250) 8.191 8.193 ( -1.608 -6.686 -2.443) 7.298 8.231 ( -3.837 4.225 0.636) 5.743 8.390 ( -3.160 7.351 8.169) 11.435 8.529 ( -5.174 3.155 -8.312) 10.287 8.613 ( -3.034 2.880 -0.749) 4.250 8.736 ( -0.786 -5.937 -1.055) 6.081 8.922 ( 2.026 9.803 12.224) 15.799 8.979 ( 0.841 6.077 0.512) 6.156 9.225 ( 2.444 2.864 -6.118) 7.184 9.418 ( -1.367 -4.889 7.549) 9.098 9.708 ( -4.717 -3.266 -6.682) 8.807 9.813 ( 0.713 6.997 2.745) 7.550 10.239 ( 7.192 -6.444 -6.592) 11.692 10.510 ( 2.803 -3.560 2.891) 5.375 10.805 ( -0.181 1.102 -0.856) 1.407 11.017 ( 3.983 0.033 0.954) 4.096 11.174 ( 3.510 -5.330 0.485) 6.400 11.381 ( -1.910 2.931 -0.830) 3.595 11.556 ( -8.373 2.830 5.682) 10.507 11.656 ( -6.086 -4.120 -1.495) 7.500 11.827 ( -4.364 14.359 -1.655) 15.098 12.391 ( 11.379 3.833 -1.178) 12.065 12.704 ( -9.063 -5.477 2.242) 10.824 12.919 ( -4.757 13.417 0.894) 14.264 13.084 ( 1.161 0.702 6.406) 6.548 13.257 ( 1.065 -5.234 -3.669) 6.480 13.497 ( 4.765 -2.977 -4.201) 7.015 13.772 ( 3.591 -7.662 -1.099) 8.533 13.871 ( -1.438 -1.382 -6.086) 6.405 13.920 ( -2.435 3.922 4.537) 6.473 14.787 ( 3.630 0.650 0.939) 3.805 15.127 ( -14.552 0.241 0.482) 14.562 15.538 ( 8.809 4.446 -4.055) 10.668 16.340 ( 13.038 -16.436 9.525) 23.041 16.485 ( -1.538 0.658 -2.980) 3.418 17.114 ( 6.198 -8.437 -11.665) 15.674 17.414 ( -2.536 7.935 5.991) 10.261 18.116 ( -9.660 8.920 1.128) 13.197 18.283 ( 10.121 -13.961 1.589) 17.317 18.598 ( 1.583 -6.011 -1.924) 6.506 19.567 ( -3.273 -3.962 -2.929) 5.915 19.592 ( 1.289 10.604 -5.988) 12.246 19.939 ( -9.404 -5.768 5.152) 12.176 20.250 ( 10.501 -1.191 -5.350) 11.845 20.566 ( -5.065 5.797 2.277) 8.028 20.976 ( -5.601 10.003 5.146) 12.566 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 11.684 -4.794 9.522) 15.817 2.555 ( -5.578 -9.527 -11.416) 15.881 2.981 ( 3.297 -1.943 3.022) 4.876 3.234 ( 13.844 -7.464 -1.890) 15.841 3.307 ( 3.017 -0.637 4.060) 5.098 3.346 ( -16.497 -2.836 5.959) 17.768 3.543 ( 1.253 -6.655 8.855) 11.148 3.555 ( -0.887 -3.585 -6.307) 7.309 3.788 ( -1.803 6.842 -1.788) 7.298 3.930 ( 2.617 2.827 -10.596) 11.275 4.230 ( -0.571 -6.925 -1.408) 7.090 4.281 ( 0.062 11.436 -8.650) 14.339 4.391 ( -9.098 6.885 6.820) 13.293 4.970 ( 7.800 5.869 8.656) 13.047 5.135 ( -10.113 -3.057 -4.245) 11.386 5.415 ( -2.326 18.069 -6.548) 19.360 5.506 ( 12.328 -13.339 -10.576) 21.018 5.598 ( 3.964 -4.106 4.388) 7.199 5.874 ( -8.559 0.612 5.167) 10.016 6.312 ( 2.459 4.407 11.940) 12.962 6.435 ( 0.520 -5.723 -0.464) 5.765 6.615 ( -1.266 3.290 -4.672) 5.852 6.864 ( 2.845 -0.851 2.901) 4.151 7.123 ( 3.132 -7.421 5.743) 9.892 7.330 ( -8.650 -3.708 3.191) 9.938 7.444 ( -0.053 -5.702 0.156) 5.705 7.637 ( 5.745 2.802 -12.898) 14.396 7.904 ( 4.591 4.821 4.841) 8.231 8.031 ( -3.590 1.815 1.119) 4.175 8.107 ( -3.110 -1.127 0.510) 3.346 8.213 ( 1.264 -3.331 -5.791) 6.799 8.429 ( -1.550 2.966 -2.515) 4.186 8.457 ( -4.714 11.429 6.259) 13.857 8.572 ( -1.747 -6.379 -4.969) 8.272 8.661 ( 0.253 1.534 -4.360) 4.629 9.028 ( -0.329 3.155 4.550) 5.546 9.144 ( 1.813 14.144 7.098) 15.929 9.262 ( 0.457 1.303 0.546) 1.484 9.395 ( 3.129 -6.681 -0.939) 7.437 9.616 ( 0.985 -1.240 -4.785) 5.040 9.908 ( -1.401 5.799 3.047) 6.699 10.286 ( 6.068 -4.280 6.075) 9.594 10.455 ( -3.360 -6.656 0.638) 7.484 10.789 ( -2.475 1.318 -5.480) 6.156 11.005 ( -1.866 -6.219 3.051) 7.174 11.213 ( 5.087 -2.621 -2.637) 6.301 11.340 ( -10.569 -3.399 -2.012) 11.283 11.479 ( 4.941 8.686 2.431) 10.285 11.619 ( -0.971 5.151 -3.290) 6.189 11.897 ( -0.639 8.619 -2.686) 9.050 12.463 ( -10.109 -5.458 3.175) 11.919 12.643 ( 8.939 6.362 -1.692) 11.101 12.961 ( -5.020 12.273 -3.606) 13.741 13.170 ( 1.616 2.882 9.571) 10.125 13.242 ( 3.892 -6.772 1.361) 7.929 13.512 ( 4.157 -6.374 -4.194) 8.689 13.677 ( -0.469 0.960 -6.113) 6.206 13.910 ( 5.671 -3.447 0.739) 6.677 13.981 ( -0.556 5.153 6.693) 8.465 14.752 ( -7.653 -0.958 -2.542) 8.121 14.892 ( -8.623 -5.419 0.663) 10.206 15.726 ( 8.489 4.174 -11.536) 14.919 16.229 ( -3.989 -11.962 19.774) 23.452 16.529 ( 1.678 -7.585 -13.119) 15.247 16.986 ( 1.682 -5.590 -5.576) 8.072 17.576 ( 2.543 4.737 9.074) 10.547 18.077 ( -0.477 -9.910 -0.733) 9.948 18.275 ( 4.101 4.572 1.142) 6.247 18.672 ( 5.138 1.619 -0.749) 5.439 19.466 ( -0.762 -5.621 -2.847) 6.347 19.643 ( -10.391 7.416 6.009) 14.110 19.703 ( -3.519 -5.160 -9.456) 11.332 20.264 ( -0.194 -5.142 -8.170) 9.655 20.719 ( 8.289 9.457 7.007) 14.396 21.018 ( -4.419 11.053 4.731) 12.809 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 1.999 4.327 1.537) 5.008 2.414 ( 12.347 -10.619 -0.649) 16.298 2.835 ( -19.147 -3.781 -0.623) 19.527 3.120 ( -1.835 -3.356 1.255) 4.025 3.310 ( 0.610 -0.296 1.124) 1.313 3.445 ( -0.137 -0.085 -7.554) 7.556 3.507 ( 7.186 0.805 5.639) 9.170 3.643 ( 11.146 -4.994 11.052) 16.472 3.778 ( -6.806 4.109 -1.926) 8.180 3.917 ( -0.654 0.748 -2.696) 2.874 4.050 ( -11.084 -4.585 -6.972) 13.874 4.364 ( -2.772 4.117 9.336) 10.573 4.436 ( 3.785 15.974 -13.084) 20.992 4.838 ( -4.026 -12.485 -3.247) 13.514 5.208 ( 2.164 8.939 5.577) 10.756 5.465 ( -2.833 -4.287 -0.399) 5.154 5.542 ( 5.543 2.671 -10.593) 12.250 5.747 ( -5.274 2.191 0.522) 5.735 5.848 ( 17.789 3.113 4.929) 18.720 6.308 ( -9.754 -4.123 11.017) 15.281 6.370 ( -1.798 -4.695 0.727) 5.080 6.603 ( 1.240 1.994 -4.860) 5.397 6.948 ( 5.830 -0.708 2.632) 6.435 7.100 ( -9.804 -3.720 1.800) 10.639 7.108 ( 2.740 -7.440 2.825) 8.416 7.398 ( -0.680 -1.620 -1.451) 2.279 7.724 ( 2.341 2.001 -8.327) 8.878 7.963 ( -7.195 2.875 1.650) 7.921 8.001 ( -0.467 0.271 -2.372) 2.433 8.123 ( -0.133 5.162 6.474) 8.281 8.137 ( 0.501 0.240 -4.479) 4.513 8.428 ( -3.108 -4.439 -6.604) 8.543 8.506 ( 0.258 3.788 2.619) 4.613 8.583 ( 9.970 3.434 0.060) 10.545 8.700 ( 1.190 2.386 -0.568) 2.726 9.078 ( 2.765 1.188 0.902) 3.141 9.236 ( -1.703 -5.064 1.645) 5.591 9.286 ( -0.998 5.625 8.449) 10.199 9.434 ( 3.656 7.960 -7.431) 11.487 9.678 ( 7.945 -1.677 -1.714) 8.299 9.868 ( -5.152 -1.045 -0.897) 5.333 10.218 ( -8.419 -9.154 6.339) 13.960 10.497 ( 7.689 2.767 7.852) 11.333 10.721 ( -3.084 0.251 -2.391) 3.910 10.885 ( -4.635 -5.135 -1.921) 7.179 11.136 ( -2.267 -6.089 -2.062) 6.817 11.338 ( 3.328 6.832 -3.712) 8.458 11.609 ( -0.587 2.700 0.439) 2.797 11.697 ( 4.586 8.781 -3.554) 10.525 11.933 ( 0.123 -0.199 -0.773) 0.807 12.284 ( -4.113 -5.076 2.295) 6.924 12.818 ( 5.688 3.981 -1.879) 7.192 12.971 ( -4.656 10.387 -5.044) 12.450 13.200 ( 0.948 -11.121 10.232) 15.142 13.244 ( 2.061 -1.012 -1.822) 2.931 13.508 ( 2.217 -2.808 -2.676) 4.467 13.770 ( 3.961 10.101 -4.241) 11.650 13.982 ( 2.452 1.137 9.817) 10.182 14.047 ( 1.139 2.322 3.913) 4.690 14.568 ( -6.660 -3.879 -1.404) 7.834 14.690 ( -7.164 -6.468 -5.194) 10.961 15.789 ( 3.517 0.098 -10.956) 11.507 16.235 ( -0.975 -0.071 17.903) 17.930 16.308 ( -4.611 -12.447 -7.922) 15.458 16.979 ( 0.804 -1.510 -6.103) 6.338 17.628 ( -5.751 4.263 9.221) 11.674 17.993 ( 2.525 -7.217 -1.685) 7.829 18.433 ( 3.132 8.656 -1.771) 9.374 18.729 ( -0.847 2.978 0.256) 3.107 19.393 ( -5.024 -4.121 -1.283) 6.623 19.454 ( -1.745 -5.643 4.437) 7.387 19.740 ( 2.832 5.802 -1.315) 6.589 20.158 ( -0.321 -7.180 -8.114) 10.839 20.941 ( -1.391 10.949 7.616) 13.410 21.099 ( 8.116 0.555 -1.606) 8.292 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -0.000 0.000 40.106) 40.106 0.500 ( -0.000 0.000 40.106) 40.106 0.919 ( -0.000 0.000 74.233) 74.233 2.817 ( 0.000 -0.000 -7.166) 7.166 2.817 ( 0.000 -0.000 -7.166) 7.166 3.493 ( 0.000 -0.000 -2.220) 2.220 3.622 ( -0.000 0.000 2.180) 2.180 3.727 ( 0.000 -0.000 -0.933) 0.933 3.727 ( 0.000 -0.000 -0.933) 0.933 3.934 ( 0.000 -0.000 -1.656) 1.656 3.934 ( 0.000 -0.000 -1.656) 1.656 4.730 ( 0.000 0.000 0.282) 0.282 4.730 ( -0.000 0.000 0.282) 0.282 5.148 ( 0.000 -0.000 -7.039) 7.039 5.324 ( -0.000 0.000 5.299) 5.299 5.491 ( 0.000 -0.000 -10.871) 10.871 5.491 ( 0.000 -0.000 -10.871) 10.871 6.004 ( -0.000 0.000 9.506) 9.506 6.004 ( -0.000 0.000 9.506) 9.506 6.399 ( -0.000 0.000 3.321) 3.321 6.399 ( -0.000 0.000 3.321) 3.321 6.555 ( 0.000 -0.000 -20.588) 20.588 6.658 ( 0.000 -0.000 -17.346) 17.346 7.197 ( 0.000 -0.000 -1.640) 1.640 7.197 ( 0.000 -0.000 -1.640) 1.640 7.203 ( -0.000 0.000 12.782) 12.782 7.706 ( 0.000 -0.000 -2.290) 2.290 8.093 ( -0.000 0.000 7.305) 7.305 8.195 ( -0.000 0.000 5.506) 5.506 8.214 ( 0.000 -0.000 -3.824) 3.824 8.214 ( 0.000 -0.000 -3.824) 3.824 8.398 ( 0.000 -0.000 -1.128) 1.128 8.398 ( 0.000 -0.000 -1.128) 1.128 8.906 ( 0.000 -0.000 -5.686) 5.686 8.957 ( -0.000 0.000 9.530) 9.530 8.957 ( -0.000 0.000 9.530) 9.530 9.125 ( -0.000 0.000 10.171) 10.171 9.167 ( -0.000 0.000 0.811) 0.811 9.167 ( -0.000 0.000 0.811) 0.811 10.086 ( -0.000 0.000 2.874) 2.874 10.086 ( -0.000 0.000 2.874) 2.874 10.731 ( 0.000 -0.000 -1.458) 1.458 10.731 ( 0.000 -0.000 -1.458) 1.458 10.897 ( 0.000 -0.000 -19.673) 19.673 10.976 ( 0.000 -0.000 -12.780) 12.780 10.976 ( 0.000 -0.000 -12.780) 12.780 11.450 ( -0.000 0.000 8.349) 8.349 11.546 ( -0.000 0.000 6.816) 6.816 11.546 ( -0.000 0.000 6.816) 6.816 11.733 ( -0.000 0.000 9.611) 9.611 12.717 ( -0.000 0.000 1.983) 1.983 12.717 ( -0.000 0.000 1.983) 1.983 12.748 ( -0.000 0.000 5.925) 5.925 12.989 ( 0.000 -0.000 -1.325) 1.325 13.351 ( -0.000 0.000 0.197) 0.197 13.351 ( -0.000 0.000 0.197) 0.197 13.771 ( -0.000 0.000 0.734) 0.734 14.588 ( 0.000 -0.000 -3.150) 3.150 14.639 ( 0.000 -0.000 -5.833) 5.833 14.965 ( -0.000 0.000 0.891) 0.891 14.965 ( -0.000 0.000 0.891) 0.891 15.567 ( 0.000 -0.000 -3.569) 3.569 15.567 ( 0.000 -0.000 -3.569) 3.569 16.571 ( -0.000 0.000 0.130) 0.130 16.721 ( 0.000 -0.000 -0.320) 0.320 16.721 ( 0.000 -0.000 -0.320) 0.320 16.906 ( -0.000 0.000 0.537) 0.537 16.906 ( -0.000 0.000 0.537) 0.537 17.905 ( -0.000 0.000 3.758) 3.758 20.167 ( -0.000 0.000 0.666) 0.666 20.167 ( -0.000 0.000 0.666) 0.666 20.612 ( 0.000 -0.000 -0.346) 0.346 20.612 ( 0.000 -0.000 -0.346) 0.346 21.100 ( 0.000 -0.000 -3.641) 3.641 22.501 ( -0.000 0.000 2.494) 2.494 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 6.654 22.664 22.417) 32.564 1.030 ( 28.261 9.360 24.329) 38.447 1.766 ( 36.465 17.624 52.952) 66.664 2.803 ( 2.844 -0.068 -11.669) 12.011 2.867 ( 5.605 4.966 -8.456) 11.295 3.417 ( -2.581 -5.833 -2.188) 6.743 3.505 ( -8.593 -4.459 5.056) 10.921 3.663 ( -3.380 -2.135 -1.961) 4.453 3.768 ( 0.676 2.851 1.323) 3.215 3.898 ( -3.158 5.921 -2.499) 7.161 3.990 ( 4.645 -2.500 0.950) 5.360 4.556 ( -9.350 0.891 -8.201) 12.469 4.803 ( 5.162 -13.613 4.927) 15.370 5.125 ( -0.637 6.693 -5.583) 8.739 5.272 ( -9.353 1.235 -1.349) 9.530 5.459 ( 4.185 -2.206 0.178) 4.734 5.520 ( 5.211 3.618 -12.371) 13.902 5.892 ( -7.948 -5.367 7.967) 12.468 6.074 ( -2.949 -1.479 10.146) 10.668 6.233 ( -5.229 -4.108 -10.393) 12.339 6.434 ( 1.653 2.153 -15.320) 15.559 6.553 ( 6.130 2.597 0.437) 6.672 6.710 ( 9.006 3.792 -1.395) 9.871 7.157 ( -0.317 1.650 2.196) 2.765 7.236 ( 4.482 1.443 3.481) 5.856 7.352 ( 1.189 0.846 -5.297) 5.495 7.674 ( -2.791 -4.450 14.653) 15.566 7.943 ( -6.641 -1.056 -1.988) 7.012 7.969 ( -10.095 -2.217 -5.949) 11.925 8.141 ( -4.821 -4.477 5.512) 8.583 8.270 ( 4.518 -5.418 0.929) 7.115 8.452 ( -2.740 6.602 -3.160) 7.815 8.604 ( 12.861 -0.933 -2.494) 13.134 8.730 ( -4.829 -5.748 -4.722) 8.869 8.931 ( -5.096 -5.304 0.706) 7.389 9.071 ( -1.085 8.175 8.498) 11.841 9.195 ( 5.427 -3.564 0.236) 6.496 9.366 ( 7.595 6.591 -12.663) 16.170 9.404 ( 9.877 4.100 4.574) 11.632 9.967 ( -10.080 -4.986 3.323) 11.727 10.085 ( -3.175 2.460 2.262) 4.610 10.592 ( -3.758 -10.569 -7.967) 13.758 10.714 ( -0.133 -4.013 -0.466) 4.042 10.801 ( -7.673 4.869 -12.846) 15.735 10.934 ( 0.677 3.516 -12.585) 13.085 11.081 ( 3.138 1.565 -14.609) 15.025 11.489 ( 1.383 1.528 6.045) 6.387 11.561 ( -1.593 1.755 5.704) 6.176 11.648 ( 5.729 -1.462 4.202) 7.254 11.831 ( 5.001 -1.843 10.216) 11.523 12.600 ( -0.306 -0.940 4.696) 4.799 12.786 ( 2.752 2.902 4.758) 6.215 12.912 ( 3.928 4.586 -3.140) 6.806 12.969 ( -2.705 1.143 -2.411) 3.800 13.284 ( -4.519 -4.375 -0.575) 6.316 13.424 ( 7.864 0.001 -2.135) 8.149 13.732 ( -3.731 -2.386 1.566) 4.698 14.500 ( -7.702 -5.420 -4.342) 10.371 14.685 ( 4.075 -1.700 -0.233) 4.422 14.760 ( -10.545 -4.802 1.872) 11.737 14.825 ( -8.126 0.060 4.095) 9.099 15.541 ( -6.014 -6.078 9.077) 12.470 15.603 ( -0.626 6.980 -1.416) 7.150 16.291 ( -1.856 2.565 9.778) 10.278 16.567 ( -0.242 2.777 5.091) 5.805 16.795 ( 0.947 -7.349 -2.248) 7.743 17.028 ( 10.532 4.017 0.234) 11.274 17.167 ( 24.769 12.375 -0.391) 27.691 18.296 ( 16.645 7.043 -7.654) 19.628 19.962 ( -20.923 -3.394 25.167) 32.903 20.124 ( -2.204 -6.625 2.305) 7.352 20.458 ( -19.638 9.616 1.669) 21.929 20.529 ( -6.068 -3.723 -1.760) 7.333 20.764 ( 3.281 -13.326 7.855) 15.813 22.343 ( -11.088 -6.538 -1.972) 13.022 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 16.838 24.268 6.550) 30.255 1.708 ( 26.765 12.274 12.767) 32.094 2.687 ( 22.188 12.315 20.981) 32.927 2.820 ( 10.613 1.216 0.937) 10.724 3.025 ( 8.847 7.904 -9.343) 15.101 3.285 ( -2.624 -9.740 -3.073) 10.545 3.342 ( -8.126 -0.902 4.889) 9.526 3.575 ( -1.857 -3.212 -0.239) 3.718 3.779 ( -1.980 0.695 1.809) 2.771 3.947 ( -0.510 8.156 1.653) 8.338 4.063 ( 5.115 1.388 0.529) 5.326 4.400 ( -4.647 -0.463 -1.975) 5.071 4.711 ( 2.585 -16.247 -1.739) 16.543 5.054 ( -13.506 -2.061 -2.028) 13.812 5.197 ( 0.389 5.008 0.761) 5.080 5.467 ( 1.043 -1.009 -6.174) 6.342 5.655 ( 7.643 0.929 -6.990) 10.399 5.692 ( -12.856 -1.748 7.040) 14.761 6.002 ( -3.083 1.194 2.355) 4.059 6.152 ( 1.186 -2.173 -3.205) 4.050 6.466 ( 3.989 1.514 -12.240) 12.962 6.666 ( 5.272 3.638 -6.898) 9.414 6.902 ( 7.664 -0.371 -0.852) 7.720 7.201 ( 0.846 3.452 1.435) 3.833 7.224 ( -10.127 -1.914 -6.014) 11.933 7.365 ( 5.302 3.348 4.316) 7.612 7.603 ( -5.147 -7.358 6.679) 11.191 7.795 ( -2.667 -0.159 6.666) 7.182 7.952 ( 2.849 1.078 -6.239) 6.943 7.974 ( -8.044 -5.307 7.695) 12.332 8.247 ( 3.100 -7.362 -4.680) 9.258 8.499 ( 3.021 3.990 2.915) 5.792 8.633 ( -1.732 -1.738 -4.463) 5.093 8.730 ( -6.881 -3.685 -3.813) 8.687 8.819 ( 5.437 2.630 5.142) 7.932 9.164 ( -0.427 8.004 -2.248) 8.324 9.257 ( 6.497 -7.735 -1.908) 10.280 9.381 ( -1.146 1.775 -6.887) 7.204 9.545 ( -1.447 -4.652 7.121) 8.629 9.741 ( -5.930 -3.614 3.217) 7.653 10.025 ( -8.517 4.113 -0.847) 9.496 10.349 ( -6.496 -10.295 -7.076) 14.080 10.657 ( -3.546 2.520 -8.533) 9.578 10.712 ( -1.700 -0.701 -0.032) 1.839 10.948 ( 2.766 0.942 -8.952) 9.417 11.022 ( -2.726 -2.131 -2.326) 4.169 11.504 ( -3.554 0.849 5.645) 6.725 11.596 ( 1.602 0.167 4.800) 5.063 11.736 ( 3.026 1.334 3.659) 4.933 11.886 ( 1.909 -6.329 7.534) 10.023 12.617 ( 2.547 -5.968 -2.640) 7.005 12.867 ( -2.603 2.158 4.326) 5.491 12.937 ( -2.104 5.204 -1.939) 5.938 13.017 ( 4.476 3.650 -0.597) 5.806 13.196 ( 0.984 1.615 -1.768) 2.589 13.516 ( 0.877 -1.691 0.679) 2.022 13.655 ( 0.760 -1.926 -1.465) 2.537 14.259 ( -10.919 -5.888 -2.210) 12.601 14.452 ( -12.214 -3.002 0.295) 12.581 14.696 ( -2.895 -6.117 0.385) 6.778 14.783 ( -1.309 -6.080 5.378) 8.222 15.484 ( -2.566 12.626 6.612) 14.482 15.734 ( 9.766 0.379 -1.100) 9.835 16.526 ( 0.344 20.005 4.372) 20.480 16.652 ( 2.593 6.169 -3.281) 7.453 16.788 ( 18.222 -15.993 3.384) 24.479 17.315 ( 14.112 9.635 -2.167) 17.224 17.753 ( 26.771 13.445 -1.768) 30.009 18.549 ( 12.455 -1.066 -2.530) 12.754 19.682 ( -22.953 2.073 28.977) 37.024 19.973 ( -9.009 -5.621 0.758) 10.646 20.254 ( -10.943 -2.854 2.604) 11.605 20.364 ( -8.532 1.181 -7.832) 11.641 20.768 ( 4.909 -6.910 1.825) 8.671 21.997 ( -16.574 -9.986 -6.914) 20.548 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 17.295 23.292 1.667) 29.059 2.190 ( 12.162 3.414 4.184) 13.307 2.796 ( 6.971 4.283 -13.799) 16.042 3.109 ( -3.328 -10.708 1.359) 11.296 3.179 ( 2.084 5.343 -3.080) 6.509 3.292 ( 6.628 2.793 9.248) 11.715 3.350 ( 8.511 9.214 10.054) 16.075 3.551 ( 0.166 0.720 -0.712) 1.026 3.776 ( 0.753 0.329 3.166) 3.271 3.973 ( -1.594 1.668 -1.479) 2.741 4.120 ( -0.671 -2.915 -2.204) 3.715 4.472 ( 7.152 -3.177 10.542) 13.130 4.634 ( 6.169 -11.694 0.276) 13.225 4.773 ( -12.471 2.344 -5.209) 13.717 5.199 ( -4.070 0.455 10.804) 11.554 5.417 ( -3.242 0.466 -0.849) 3.383 5.545 ( -4.147 1.408 -3.976) 5.915 5.707 ( 2.493 0.221 -11.678) 11.943 6.061 ( 0.514 6.284 4.631) 7.823 6.182 ( 3.825 1.043 3.667) 5.401 6.438 ( -1.242 -6.264 -9.593) 11.524 6.764 ( 6.423 2.742 -9.198) 11.549 6.855 ( -9.631 -9.727 -7.908) 15.809 6.962 ( -5.123 3.934 -0.837) 6.514 7.308 ( -3.113 1.435 -4.482) 5.643 7.394 ( -3.087 -5.546 3.039) 7.037 7.581 ( 6.136 7.684 8.592) 13.059 7.841 ( 4.432 -3.262 7.851) 9.588 7.891 ( 2.417 -1.589 1.923) 3.474 8.045 ( 4.667 2.997 -1.229) 5.681 8.246 ( 5.467 -4.472 -0.449) 7.077 8.487 ( -9.921 -2.406 -1.114) 10.269 8.557 ( -4.328 -1.162 0.879) 4.566 8.652 ( 3.268 2.053 4.399) 5.852 8.959 ( 3.669 6.923 -1.847) 8.049 9.116 ( -6.060 -8.775 -4.998) 11.777 9.242 ( -10.369 -3.950 -6.010) 12.619 9.270 ( -0.255 2.169 -7.779) 8.080 9.441 ( 5.385 -4.837 3.426) 8.008 9.797 ( 2.625 -0.346 6.925) 7.414 9.887 ( -9.379 4.112 1.042) 10.294 10.154 ( -2.658 -7.681 -4.278) 9.185 10.589 ( -5.260 7.917 -10.413) 14.099 10.705 ( 1.670 -3.396 2.172) 4.364 10.905 ( -1.173 -7.021 2.266) 7.470 11.025 ( 1.379 5.027 -2.667) 5.855 11.466 ( -2.604 -1.437 4.712) 5.572 11.624 ( 0.710 -1.962 3.144) 3.773 11.797 ( 0.897 3.350 -3.301) 4.788 11.885 ( 0.986 -4.882 11.180) 12.239 12.478 ( -8.615 -7.258 -3.684) 11.852 12.841 ( 4.352 -4.607 -1.587) 6.534 12.916 ( -3.525 1.683 -3.116) 4.996 13.146 ( 4.925 4.068 0.269) 6.393 13.299 ( 1.306 5.353 -1.998) 5.861 13.442 ( -5.805 1.524 5.183) 7.930 13.734 ( 8.237 -0.054 -3.071) 8.791 14.062 ( -6.939 0.967 -2.612) 7.477 14.261 ( -8.952 -0.122 1.669) 9.107 14.567 ( -1.852 -9.219 2.751) 9.798 14.711 ( -2.397 -6.298 7.705) 10.236 15.641 ( 4.298 8.214 -1.673) 9.420 15.912 ( 9.476 2.351 -2.452) 10.067 16.473 ( -9.694 3.600 -3.770) 11.007 16.865 ( 5.174 5.180 8.989) 11.593 17.160 ( 25.797 4.826 1.992) 26.320 17.644 ( 12.594 10.485 -3.414) 16.739 18.279 ( 20.388 9.121 -4.225) 22.731 18.678 ( 6.979 -5.036 -0.421) 8.617 19.474 ( -15.813 2.764 21.951) 27.194 19.722 ( -13.951 -3.851 1.067) 14.512 20.025 ( -9.029 -7.286 0.084) 11.602 20.209 ( -7.371 -1.132 -2.190) 7.772 20.821 ( 5.904 -0.565 -0.030) 5.931 21.560 ( -17.144 -10.352 -9.553) 22.189 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 2.926 -3.850 3.910) 6.218 2.301 ( 10.751 23.122 -3.787) 25.779 2.788 ( -4.317 -11.409 2.807) 12.517 3.058 ( 1.760 0.213 -1.039) 2.055 3.274 ( 5.045 4.127 -0.217) 6.522 3.433 ( 3.029 0.448 -0.061) 3.063 3.540 ( 4.119 4.228 -1.441) 6.076 3.600 ( -0.299 12.510 0.617) 12.529 3.808 ( -0.147 -2.284 2.354) 3.283 3.947 ( -1.691 -0.758 0.263) 1.872 4.017 ( -4.130 -9.779 4.980) 11.726 4.414 ( -6.343 -5.890 -8.652) 12.239 4.515 ( 8.037 -8.279 0.422) 11.546 4.789 ( -4.930 1.888 10.291) 11.566 5.328 ( -1.068 1.231 -1.320) 2.097 5.362 ( 2.382 6.671 4.768) 8.539 5.534 ( 1.414 -6.868 -3.559) 7.864 5.686 ( 5.232 4.075 -2.212) 6.991 6.134 ( -6.821 15.623 6.840) 18.368 6.181 ( -6.885 -16.041 -8.011) 19.207 6.306 ( 4.114 2.148 0.875) 4.723 6.625 ( -3.295 -3.394 -6.214) 7.809 6.881 ( 7.298 4.791 -10.660) 13.779 7.001 ( 3.030 2.872 0.590) 4.216 7.088 ( -7.905 -6.525 -0.983) 10.297 7.401 ( -0.558 0.479 1.952) 2.086 7.765 ( 2.721 2.951 8.386) 9.297 7.893 ( 3.281 -1.621 -8.236) 9.012 7.993 ( 6.255 -2.402 9.950) 11.996 8.135 ( 0.998 2.200 2.868) 3.750 8.270 ( -8.795 0.394 -2.582) 9.175 8.352 ( 5.642 -1.970 7.641) 9.700 8.536 ( 1.130 1.441 -1.596) 2.429 8.689 ( -2.603 0.203 2.071) 3.333 8.788 ( -13.047 -7.343 -0.892) 14.999 9.072 ( -0.654 -0.504 -6.569) 6.620 9.113 ( 6.903 6.551 -2.109) 9.747 9.283 ( 0.611 -2.101 -11.214) 11.425 9.521 ( 6.540 -2.628 4.154) 8.181 9.741 ( -6.246 4.648 2.477) 8.170 9.862 ( -1.928 -5.193 4.401) 7.075 10.085 ( 0.122 0.647 -2.809) 2.886 10.557 ( -2.942 8.215 -9.021) 12.551 10.695 ( 0.586 -3.595 -1.158) 3.823 10.850 ( -0.671 -3.274 5.587) 6.510 11.076 ( 0.481 0.508 0.927) 1.161 11.444 ( -0.197 -1.049 5.678) 5.778 11.615 ( -0.696 -1.254 1.228) 1.888 11.832 ( 5.149 -2.758 -3.968) 7.061 11.885 ( -3.990 1.420 6.249) 7.549 12.255 ( -6.088 -4.225 -4.248) 8.541 12.866 ( -0.992 1.592 -0.661) 1.989 12.923 ( 10.549 -4.660 -4.892) 12.527 13.198 ( -8.394 -0.122 -1.682) 8.562 13.243 ( -0.407 2.965 3.148) 4.344 13.484 ( 1.681 2.744 2.014) 3.796 13.826 ( 3.114 -3.617 -4.946) 6.874 14.016 ( 0.656 3.376 -3.710) 5.059 14.152 ( -8.571 6.846 0.384) 10.976 14.507 ( 2.366 -7.607 7.501) 10.942 14.659 ( -3.301 0.035 9.985) 10.516 15.740 ( 5.177 -2.901 -3.419) 6.849 16.077 ( 8.572 1.940 -2.858) 9.242 16.323 ( -9.554 2.885 -3.559) 10.596 16.981 ( 2.151 -0.992 7.638) 7.997 17.588 ( 9.734 8.299 -0.518) 12.802 17.899 ( 7.737 6.354 -1.929) 10.196 18.486 ( 2.800 -2.127 -3.092) 4.682 18.748 ( 3.706 -1.217 1.653) 4.237 19.383 ( -2.855 0.777 8.361) 8.870 19.467 ( -11.725 -2.422 -0.679) 11.992 19.856 ( -5.811 0.638 -0.198) 5.849 20.092 ( -0.873 -6.191 5.928) 8.616 20.972 ( 8.129 4.863 -2.399) 9.772 21.172 ( -11.288 -6.666 -7.292) 15.001 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -9.089 -6.246 -3.591) 11.598 2.553 ( -5.588 -11.020 13.929) 18.620 2.773 ( 9.366 20.236 2.011) 22.389 3.051 ( -2.098 -2.003 -3.237) 4.347 3.303 ( -5.293 -1.362 0.498) 5.488 3.372 ( -4.254 -6.082 1.674) 7.609 3.529 ( -3.431 -4.900 -2.198) 6.373 3.688 ( -10.280 -4.909 0.474) 11.402 3.754 ( -3.940 -3.394 -1.581) 5.435 3.840 ( 8.930 8.861 -3.923) 13.177 4.013 ( 2.962 -0.102 3.433) 4.535 4.347 ( -3.160 5.307 -6.112) 8.690 4.650 ( 15.085 -6.900 -0.250) 16.590 4.775 ( -4.834 6.587 11.692) 14.264 5.113 ( -12.047 -9.971 -8.075) 17.600 5.312 ( -0.211 -7.101 -4.730) 8.534 5.569 ( 4.862 3.917 4.903) 7.939 5.943 ( 1.301 -13.366 -9.141) 16.245 6.010 ( 9.693 10.232 11.750) 18.350 6.196 ( -6.760 12.322 -1.153) 14.102 6.357 ( 0.848 7.843 0.922) 7.942 6.580 ( 2.382 -4.148 -5.021) 6.934 6.915 ( -1.921 -2.791 -0.631) 3.446 7.027 ( 7.945 4.048 -10.985) 14.149 7.147 ( 5.989 4.847 3.200) 8.342 7.409 ( 0.139 -0.160 2.900) 2.908 7.733 ( -7.424 -6.487 4.293) 10.753 7.894 ( -0.475 -4.676 6.795) 8.262 8.001 ( -4.835 0.512 -0.950) 4.954 8.107 ( -4.998 -3.055 2.558) 6.392 8.209 ( -4.596 5.670 -2.467) 7.705 8.367 ( 0.954 -4.406 1.644) 4.798 8.500 ( 2.752 -1.119 0.546) 3.021 8.722 ( 0.624 0.870 1.131) 1.558 8.784 ( 10.935 7.086 -0.523) 13.040 9.035 ( -2.475 -5.355 -4.879) 7.655 9.229 ( 1.201 4.096 -8.997) 9.958 9.291 ( 7.473 3.343 2.700) 8.620 9.633 ( 0.962 -0.456 6.813) 6.896 9.752 ( 6.090 -1.347 3.342) 7.076 9.764 ( -3.964 -0.437 -0.978) 4.106 10.088 ( -2.773 7.055 -3.486) 8.343 10.577 ( 0.402 5.845 -6.266) 8.579 10.648 ( -0.677 -3.015 -2.828) 4.189 10.858 ( 0.617 -0.115 5.063) 5.101 11.052 ( -0.082 -3.891 -0.765) 3.966 11.472 ( -0.187 -0.310 6.088) 6.098 11.600 ( 0.672 -1.465 0.883) 1.838 11.838 ( -4.951 0.593 4.372) 6.631 11.852 ( 1.638 -4.155 -3.623) 5.751 12.230 ( 7.119 4.468 -5.602) 10.101 12.915 ( 4.292 -1.389 2.075) 4.966 12.994 ( -0.907 0.789 -3.755) 3.943 13.120 ( 2.188 2.230 0.779) 3.219 13.253 ( 0.031 -0.246 0.242) 0.347 13.493 ( -1.595 -4.266 1.811) 4.902 13.725 ( -3.594 -5.002 -10.162) 11.882 14.079 ( 3.896 -0.652 0.922) 4.056 14.095 ( -7.155 11.830 -3.242) 14.200 14.543 ( 4.658 -4.321 7.070) 9.506 14.699 ( -3.617 9.202 13.643) 16.849 15.732 ( 4.282 -12.339 -3.650) 13.561 16.141 ( -9.160 -1.116 1.451) 9.341 16.250 ( 7.373 3.501 -6.742) 10.586 16.981 ( -2.712 -3.593 4.576) 6.419 17.534 ( -17.860 0.536 -2.068) 17.987 17.919 ( -4.051 -8.101 -0.877) 9.100 18.575 ( 6.605 5.328 2.849) 8.952 18.697 ( -7.092 -3.414 -3.178) 8.488 19.188 ( -10.108 -9.151 -3.031) 13.968 19.520 ( 6.110 9.390 4.014) 11.900 19.855 ( 3.279 4.140 -0.628) 5.318 20.147 ( 8.817 -4.042 7.799) 12.446 20.868 ( -7.492 -2.185 -8.303) 11.395 21.303 ( 14.720 8.978 0.860) 17.263 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -20.589 -10.989 -2.073) 23.430 2.290 ( -19.907 -15.235 8.966) 26.624 2.845 ( -13.009 -6.602 -5.295) 15.520 3.029 ( -9.858 -4.524 2.262) 11.080 3.184 ( 2.682 12.292 7.176) 14.484 3.266 ( 0.499 -8.855 2.238) 9.147 3.430 ( -8.210 -6.610 2.345) 10.798 3.505 ( 1.296 3.189 -1.624) 3.806 3.702 ( 0.945 -1.263 -3.774) 4.091 3.982 ( -5.093 0.995 1.258) 5.340 4.059 ( 3.299 0.153 -5.850) 6.718 4.269 ( -2.042 4.428 -3.351) 5.916 4.740 ( 4.707 -5.213 -5.208) 8.744 4.925 ( 6.444 4.413 7.227) 10.641 4.952 ( 4.046 2.922 1.051) 5.100 5.334 ( 6.691 0.329 -4.055) 7.831 5.660 ( 1.218 -2.363 5.342) 5.967 5.876 ( 3.563 -4.180 -3.614) 6.574 6.072 ( -9.485 -0.485 0.738) 9.526 6.217 ( 1.631 6.992 9.287) 11.739 6.484 ( -2.205 -6.248 -3.238) 7.374 6.640 ( 10.313 17.218 -7.892) 21.566 6.914 ( 2.077 -0.821 -0.823) 2.381 7.150 ( 7.235 1.629 -11.690) 13.844 7.321 ( 2.358 5.898 0.490) 6.371 7.346 ( -5.014 -5.472 -3.113) 8.048 7.548 ( -5.665 -5.154 14.376) 16.289 7.761 ( -6.060 -3.984 5.591) 9.157 7.952 ( -5.271 -8.196 4.195) 10.609 8.018 ( 2.977 -0.202 -0.068) 2.985 8.170 ( -3.211 9.211 -4.588) 10.780 8.481 ( 7.645 1.695 -0.215) 7.834 8.564 ( 3.364 0.429 2.634) 4.294 8.745 ( -0.770 0.830 4.953) 5.081 8.871 ( -5.245 -4.329 -7.545) 10.158 9.034 ( 7.896 6.972 -4.558) 11.477 9.291 ( 4.795 -1.609 -2.257) 5.538 9.376 ( 3.469 -7.537 -5.835) 10.143 9.625 ( -3.139 5.256 9.335) 11.164 9.734 ( -2.404 5.622 4.366) 7.513 9.926 ( 8.963 -1.932 0.670) 9.193 10.172 ( 5.426 12.611 -3.526) 14.174 10.598 ( 0.361 0.384 -1.901) 1.972 10.646 ( 3.383 2.071 -2.525) 4.702 10.898 ( 1.375 1.981 0.757) 2.528 11.032 ( 2.338 -2.024 -2.248) 3.823 11.449 ( -0.722 -4.474 -0.936) 4.628 11.622 ( 2.701 -3.016 4.833) 6.305 11.737 ( -8.414 0.977 3.539) 9.180 11.843 ( 0.939 0.757 -1.044) 1.595 12.471 ( 13.410 5.404 -3.543) 14.886 12.875 ( -1.796 -1.581 -1.860) 3.031 13.059 ( -4.503 1.544 6.959) 8.431 13.127 ( 1.559 -1.727 0.571) 2.396 13.304 ( 2.882 -4.097 -4.497) 6.732 13.354 ( -3.905 -2.177 -0.473) 4.496 13.635 ( 3.181 -2.359 -8.578) 9.448 14.126 ( 1.051 12.972 -5.447) 14.109 14.166 ( 3.538 1.860 5.458) 6.765 14.629 ( 5.479 -0.709 3.261) 6.416 14.789 ( -5.173 11.279 14.449) 19.046 15.595 ( -0.350 -20.767 -3.775) 21.111 15.941 ( -13.719 3.504 -0.263) 14.162 16.381 ( 10.762 -8.173 -5.691) 14.664 16.843 ( -11.193 1.089 -2.795) 11.588 17.166 ( -20.357 -2.783 8.213) 22.127 17.671 ( -10.425 -13.602 -1.337) 17.190 18.324 ( -22.728 -9.950 -1.539) 24.858 18.835 ( 2.150 12.727 11.197) 17.087 18.928 ( 0.611 -11.977 -14.398) 18.738 19.797 ( 9.161 11.951 5.476) 16.023 19.994 ( 7.966 3.035 -1.827) 8.718 20.323 ( 11.381 -2.530 3.664) 12.221 20.752 ( -3.430 2.092 -3.691) 5.456 21.687 ( 17.607 10.409 -0.656) 20.464 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -26.988 -11.193 -0.536) 29.222 1.656 ( -32.847 -19.527 2.537) 38.297 2.205 ( -37.951 -24.160 11.891) 46.534 2.960 ( -0.770 -1.240 -1.010) 1.775 3.106 ( -9.583 -4.742 -3.811) 11.351 3.291 ( 6.239 -3.779 2.915) 7.856 3.413 ( -0.662 9.265 4.103) 10.154 3.650 ( 5.850 3.817 4.992) 8.586 3.695 ( 1.414 -0.965 -5.998) 6.238 3.859 ( -1.410 -1.435 -1.108) 2.297 4.063 ( -2.111 -1.010 0.850) 2.490 4.384 ( 6.968 8.150 -6.452) 12.514 4.765 ( 5.982 -4.610 -2.889) 8.086 5.064 ( 4.694 6.058 0.282) 7.669 5.151 ( 6.145 5.257 2.210) 8.384 5.438 ( 4.394 1.532 -4.267) 6.314 5.655 ( -1.702 -2.361 10.237) 10.643 5.817 ( -0.076 -5.691 -11.493) 12.825 6.014 ( -1.867 3.789 9.136) 10.065 6.330 ( 2.142 0.019 -0.459) 2.191 6.367 ( -2.309 -0.520 3.917) 4.576 6.796 ( -4.156 2.278 -13.969) 14.751 6.983 ( -6.353 -2.662 2.900) 7.474 7.026 ( 4.970 -2.023 -9.259) 10.702 7.232 ( -1.139 -0.005 -5.241) 5.363 7.370 ( -5.240 4.226 1.791) 6.966 7.553 ( 2.268 -6.681 17.788) 19.136 7.824 ( 7.659 8.011 -1.197) 11.148 7.858 ( 4.524 -5.375 0.571) 7.049 8.069 ( 1.005 1.390 5.088) 5.369 8.217 ( -0.078 6.223 -3.179) 6.988 8.543 ( 0.810 -0.368 3.474) 3.586 8.675 ( -3.306 -5.357 -4.311) 7.630 8.709 ( 8.025 1.818 -3.098) 8.792 8.793 ( -2.789 4.713 3.862) 6.701 9.093 ( -4.839 3.806 -1.945) 6.457 9.219 ( 2.749 -14.674 -7.575) 16.741 9.406 ( 2.468 0.787 -3.321) 4.212 9.659 ( -0.988 2.770 4.108) 5.052 9.844 ( 4.614 6.062 4.415) 8.805 9.991 ( 1.409 1.663 -4.152) 4.690 10.439 ( 10.792 9.625 -5.617) 15.513 10.643 ( 4.222 -0.238 0.795) 4.303 10.763 ( 6.313 4.988 4.753) 9.345 10.955 ( 2.376 5.775 -7.667) 9.888 11.070 ( 3.972 -0.554 -0.306) 4.022 11.382 ( 1.940 -7.242 -2.817) 8.009 11.618 ( -7.819 0.867 4.269) 8.951 11.666 ( 1.870 -1.559 6.070) 6.540 11.863 ( -1.010 0.797 1.121) 1.707 12.648 ( 4.753 -0.664 -3.113) 5.721 12.832 ( -9.891 -0.825 3.275) 10.452 12.968 ( 1.826 -0.768 0.170) 1.989 13.077 ( -1.669 -3.498 2.144) 4.430 13.166 ( -2.440 -3.099 -8.670) 9.525 13.511 ( 8.631 6.616 2.585) 11.178 13.621 ( 0.346 -4.978 -6.223) 7.976 14.297 ( 5.863 3.834 5.886) 9.150 14.385 ( 12.768 15.901 -1.774) 20.469 14.723 ( 1.330 4.005 0.583) 4.260 14.867 ( -1.257 4.969 12.742) 13.734 15.286 ( -7.743 -18.144 -2.654) 19.905 15.772 ( -9.085 1.465 1.449) 9.316 16.330 ( 1.265 -15.015 -8.260) 17.184 16.706 ( -15.243 17.054 -3.129) 23.086 16.898 ( -5.098 -12.597 12.028) 18.147 17.321 ( -11.942 -14.241 -1.380) 18.637 17.753 ( -27.671 -13.189 -2.220) 30.734 18.656 ( -8.285 -8.797 -2.084) 12.263 19.204 ( 12.608 13.830 7.591) 20.195 20.033 ( 5.829 3.950 3.535) 7.878 20.176 ( 8.232 7.805 -3.244) 11.799 20.485 ( 8.264 -1.245 -0.316) 8.363 20.733 ( -1.080 1.241 1.557) 2.265 22.075 ( 15.847 9.120 -2.239) 18.421 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 15.787 12.482 26.653) 33.398 1.158 ( -7.398 26.707 27.752) 39.220 1.974 ( -2.142 34.945 55.855) 65.920 2.762 ( -2.751 2.999 -14.170) 14.743 2.816 ( 2.681 6.446 -10.733) 12.803 3.408 ( -3.177 -5.320 -1.086) 6.291 3.577 ( -1.731 -3.848 4.468) 6.145 3.661 ( 2.235 -2.467 -0.499) 3.366 3.760 ( 1.766 0.745 1.155) 2.238 3.854 ( 4.405 -1.981 -2.928) 5.648 4.015 ( -2.312 4.690 -0.375) 5.242 4.478 ( 2.968 -12.330 -5.519) 13.831 4.810 ( -11.737 -4.304 -2.626) 12.774 5.116 ( 5.550 2.961 -2.195) 6.662 5.302 ( 8.541 -1.674 2.511) 9.058 5.395 ( -3.377 -2.256 -10.201) 10.980 5.471 ( -3.354 3.392 -3.665) 6.015 5.927 ( 1.085 -6.790 4.870) 8.426 6.151 ( -2.319 3.185 4.564) 6.029 6.259 ( -5.232 -4.088 -14.461) 15.913 6.329 ( 7.705 0.687 -14.656) 16.572 6.538 ( -2.687 3.512 8.323) 9.424 6.683 ( -0.576 7.236 -2.318) 7.620 7.144 ( 1.835 -3.534 -4.946) 6.350 7.276 ( -0.335 0.306 7.334) 7.348 7.292 ( -0.623 6.073 -0.220) 6.109 7.721 ( -2.205 2.103 -1.970) 3.628 7.918 ( 1.513 -11.059 7.524) 13.461 8.066 ( 5.393 -9.276 -2.289) 10.971 8.198 ( -0.591 -2.079 3.170) 3.837 8.241 ( -5.156 0.808 3.227) 6.136 8.404 ( -1.394 5.480 -7.243) 9.189 8.603 ( -2.947 8.627 -1.275) 9.206 8.738 ( -0.704 -7.276 -5.423) 9.102 8.916 ( -0.372 -8.099 2.374) 8.448 9.027 ( -7.148 -3.599 0.672) 8.031 9.137 ( 9.090 2.183 11.831) 15.079 9.353 ( -1.590 6.406 1.238) 6.715 9.485 ( -1.516 13.046 -0.468) 13.142 10.028 ( -1.083 -7.175 2.894) 7.812 10.076 ( 5.628 -2.883 4.452) 7.734 10.537 ( -6.609 -10.580 -10.460) 16.279 10.650 ( 0.882 -2.937 -5.999) 6.737 10.808 ( 1.178 -2.301 -17.210) 17.403 10.885 ( 5.172 1.750 -7.425) 9.217 11.007 ( -1.243 6.755 -11.657) 13.530 11.491 ( 0.601 0.616 5.438) 5.506 11.566 ( -0.004 -1.637 5.411) 5.653 11.686 ( -1.541 5.730 3.165) 6.725 11.913 ( -2.941 4.725 12.417) 13.607 12.669 ( -6.391 -3.769 0.229) 7.423 12.723 ( 7.203 3.774 8.657) 11.878 12.922 ( 0.564 5.416 0.085) 5.446 12.973 ( 2.226 0.485 -0.493) 2.331 13.249 ( -2.521 -9.200 0.626) 9.559 13.438 ( -2.285 6.508 -2.029) 7.189 13.734 ( -0.113 -5.086 1.558) 5.320 14.472 ( -0.743 -6.830 -9.827) 11.991 14.674 ( -0.441 0.156 -1.843) 1.901 14.812 ( 3.093 -10.180 0.954) 10.683 14.861 ( -1.330 -2.096 1.990) 3.181 15.477 ( -0.395 -5.787 7.533) 9.507 15.654 ( 4.951 6.200 -0.864) 7.981 16.282 ( -0.489 -12.131 6.971) 14.000 16.592 ( 8.142 1.481 4.031) 9.205 16.870 ( -8.539 3.452 0.034) 9.211 17.029 ( -6.474 10.140 0.433) 12.038 17.127 ( 2.283 26.495 -1.328) 26.626 18.279 ( -1.844 19.323 -4.445) 19.913 20.023 ( 5.925 -16.548 16.648) 24.210 20.165 ( -5.118 -2.823 3.949) 7.054 20.374 ( 13.614 -19.044 2.300) 23.523 20.552 ( 1.156 -4.597 -1.516) 4.976 20.838 ( -8.363 -5.225 6.200) 11.648 22.336 ( -0.140 -14.548 -1.038) 14.586 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 13.082 18.376 17.804) 28.737 1.492 ( 10.264 27.399 13.844) 32.369 2.663 ( 13.902 24.690 34.832) 44.902 2.701 ( 3.360 3.595 -10.916) 11.974 2.935 ( 6.635 9.439 -10.126) 15.351 3.272 ( -4.794 -5.967 0.962) 7.714 3.487 ( -6.318 -0.183 4.001) 7.481 3.608 ( -4.809 -2.465 0.924) 5.482 3.804 ( 1.473 0.637 1.269) 2.046 3.954 ( 5.561 -1.750 4.657) 7.461 4.040 ( 1.094 6.061 -4.185) 7.446 4.406 ( 2.302 -4.363 -6.326) 8.022 4.557 ( -6.605 -13.189 3.582) 15.180 5.169 ( 2.222 -0.507 -3.734) 4.374 5.221 ( -8.918 -3.924 -9.691) 13.742 5.386 ( 1.168 -4.958 -1.191) 5.231 5.521 ( 6.300 3.651 -1.758) 7.491 5.887 ( -4.168 -1.006 8.976) 9.947 6.068 ( -1.850 0.627 -18.502) 18.605 6.132 ( -4.523 -0.892 7.879) 9.129 6.372 ( 3.010 5.896 -19.744) 20.824 6.627 ( 2.834 2.357 4.684) 5.960 6.777 ( 5.256 2.694 -1.824) 6.182 7.142 ( 3.943 -5.218 0.454) 6.556 7.311 ( -1.984 3.650 -0.859) 4.242 7.356 ( 2.593 4.051 2.468) 5.406 7.695 ( -0.918 -1.253 -2.338) 2.807 7.807 ( -3.992 -9.901 7.961) 13.317 7.959 ( -5.761 1.035 -2.901) 6.533 8.114 ( -9.875 -5.747 8.435) 14.202 8.165 ( -1.634 0.160 -1.335) 2.116 8.483 ( 6.632 1.226 -1.816) 6.985 8.586 ( -3.737 -0.968 -3.932) 5.511 8.683 ( 2.980 0.818 -3.554) 4.709 8.852 ( -1.133 -0.271 -0.967) 1.514 9.020 ( 7.258 -7.089 1.761) 10.297 9.266 ( -4.644 -0.964 3.462) 5.872 9.381 ( 4.426 -1.953 4.117) 6.353 9.540 ( -1.313 5.396 1.993) 5.901 9.880 ( -8.686 -5.789 4.707) 11.451 10.141 ( -0.396 2.500 -0.914) 2.691 10.310 ( -4.630 -9.799 -9.106) 14.155 10.603 ( 2.233 -5.515 -2.539) 6.469 10.695 ( -1.342 -0.049 -15.670) 15.728 10.952 ( 0.568 3.042 -6.361) 7.074 10.992 ( 1.471 -0.951 -5.871) 6.127 11.496 ( -0.121 -7.956 13.973) 16.080 11.647 ( 0.686 5.357 -0.723) 5.449 11.707 ( 0.271 3.353 0.380) 3.386 11.920 ( -3.879 -0.940 13.226) 13.815 12.547 ( -2.230 -4.583 -1.894) 5.438 12.968 ( 5.197 10.171 4.637) 12.327 12.991 ( 3.821 3.308 0.514) 5.080 13.017 ( -0.148 3.387 0.640) 3.450 13.096 ( -1.816 -9.866 -0.694) 10.056 13.457 ( 1.473 2.310 -2.127) 3.469 13.649 ( -2.922 -7.214 2.272) 8.109 14.298 ( -5.204 -8.377 -7.014) 12.102 14.547 ( -6.657 -9.514 -0.329) 11.617 14.684 ( -2.653 -8.915 -2.155) 9.548 14.898 ( -3.653 10.161 3.711) 11.418 15.574 ( 8.404 -1.959 5.920) 10.465 15.716 ( -6.742 9.086 1.163) 11.374 16.298 ( 15.552 -4.990 6.266) 17.494 16.788 ( -2.291 14.038 -1.581) 14.312 16.829 ( -4.432 10.895 -0.693) 11.783 17.093 ( 12.903 7.001 -0.319) 14.683 17.582 ( 15.221 25.498 -1.121) 29.717 18.421 ( 2.613 6.637 -0.780) 7.176 20.000 ( -0.776 -9.836 6.243) 11.675 20.019 ( -8.722 -8.191 21.098) 24.254 20.390 ( -3.712 -7.137 -6.529) 10.361 20.504 ( 8.733 -14.457 4.228) 17.412 20.599 ( -14.939 3.662 -1.139) 15.424 22.067 ( -9.812 -17.413 -5.812) 20.815 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 9.773 20.339 10.234) 24.778 2.029 ( 15.525 16.440 3.380) 22.863 2.673 ( 4.327 5.027 -20.163) 21.226 3.102 ( 5.275 4.803 -4.327) 8.344 3.148 ( -2.140 2.138 0.177) 3.030 3.285 ( 10.974 6.821 22.644) 26.072 3.389 ( -6.071 0.545 2.976) 6.783 3.582 ( 2.375 5.862 5.197) 8.186 3.819 ( -2.271 2.477 2.141) 3.984 4.001 ( -1.443 0.484 0.601) 1.636 4.058 ( 1.872 -4.467 -5.272) 7.159 4.357 ( -1.965 -14.036 3.868) 14.692 4.531 ( 7.489 6.771 13.123) 16.557 4.944 ( -11.947 -3.641 -8.176) 14.928 5.148 ( 2.865 -8.760 -5.604) 10.786 5.379 ( 4.844 -5.575 -2.551) 7.814 5.564 ( -1.902 -1.383 3.999) 4.639 5.800 ( -8.609 4.372 -6.493) 11.636 6.086 ( 3.982 4.978 2.444) 6.827 6.159 ( 4.045 3.215 0.385) 5.182 6.371 ( -0.362 2.747 -17.839) 18.053 6.675 ( 2.267 0.138 -4.081) 4.670 6.825 ( -0.810 -5.756 -0.973) 5.893 7.096 ( -4.399 0.460 -2.184) 4.933 7.366 ( 1.544 6.371 0.512) 6.575 7.404 ( -2.337 -2.066 -0.355) 3.139 7.647 ( -3.276 5.894 5.445) 8.667 7.733 ( 4.989 -9.075 2.898) 10.754 7.903 ( -4.350 -4.072 0.566) 5.985 7.983 ( 1.131 3.601 5.461) 6.639 8.162 ( 1.362 -0.071 0.333) 1.404 8.533 ( -0.932 -1.704 -3.143) 3.695 8.598 ( 3.069 0.825 -0.687) 3.251 8.627 ( -2.842 -3.912 2.900) 5.639 8.936 ( 6.120 5.933 -4.487) 9.633 9.058 ( 5.425 -7.905 -5.636) 11.121 9.109 ( -5.531 -7.685 -3.238) 10.007 9.395 ( -0.421 -2.566 4.118) 4.871 9.463 ( -11.367 -7.331 4.277) 14.187 9.822 ( 0.365 5.726 7.603) 9.525 10.071 ( -9.340 -1.447 -3.707) 10.152 10.123 ( -1.939 -2.154 -6.531) 7.145 10.606 ( 2.457 -1.738 -1.606) 3.411 10.664 ( 2.321 1.208 -9.041) 9.412 10.898 ( -2.942 -1.113 0.045) 3.146 11.048 ( 3.017 4.526 -5.410) 7.671 11.443 ( -1.416 -10.437 12.439) 16.300 11.631 ( -2.105 -0.459 1.541) 2.649 11.757 ( 0.717 -0.823 -3.933) 4.082 11.921 ( -0.343 0.048 13.072) 13.077 12.476 ( -0.906 -3.732 -4.329) 5.787 12.830 ( -8.351 -8.685 0.428) 12.056 13.008 ( -4.783 1.827 0.597) 5.155 13.104 ( 4.494 4.135 -1.028) 6.193 13.267 ( 8.285 6.771 -2.521) 10.993 13.532 ( 2.898 1.963 3.582) 5.009 13.546 ( 1.940 -6.068 -3.429) 7.235 14.125 ( -4.513 -3.681 -4.043) 7.089 14.354 ( -4.662 -8.878 3.608) 10.657 14.552 ( -4.023 -4.336 -1.935) 6.223 14.892 ( -9.886 7.415 13.808) 18.531 15.578 ( 2.762 -3.489 -11.399) 12.237 15.880 ( 4.633 13.709 3.422) 14.870 16.561 ( 9.304 -4.583 6.599) 12.293 16.803 ( -1.430 12.457 -8.528) 15.164 17.040 ( 9.320 16.584 9.642) 21.327 17.470 ( 17.266 11.190 -2.120) 20.684 18.084 ( 15.711 20.586 -2.806) 26.048 18.487 ( 5.004 -5.169 -0.521) 7.213 19.792 ( -13.367 -4.081 6.620) 15.465 19.948 ( -5.067 -9.250 25.100) 27.225 20.097 ( -13.706 -10.222 -2.707) 17.311 20.372 ( -12.887 4.336 -8.523) 16.047 20.614 ( 12.676 -8.196 -0.400) 15.100 21.652 ( -13.482 -16.826 -9.668) 23.630 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 8.288 -0.444 1.878) 8.510 2.376 ( 6.902 23.984 -1.494) 25.002 2.756 ( 2.823 1.788 -6.862) 7.632 3.093 ( -2.084 4.163 6.837) 8.271 3.250 ( 1.042 1.644 1.415) 2.406 3.370 ( 5.954 5.003 -4.444) 8.957 3.479 ( 4.911 0.778 1.738) 5.267 3.775 ( -3.806 1.836 -8.392) 9.396 3.802 ( 3.066 7.888 13.993) 16.353 3.952 ( -1.604 -2.232 -0.558) 2.804 4.018 ( -3.279 -2.694 3.235) 5.336 4.239 ( 3.478 -13.675 2.728) 14.371 4.533 ( -9.406 -2.777 1.379) 9.904 4.861 ( -2.230 -1.448 2.969) 3.986 5.183 ( 14.752 -3.370 -1.851) 15.245 5.349 ( 2.119 -13.665 -1.901) 13.958 5.554 ( -6.840 8.731 2.164) 11.301 5.710 ( -0.659 6.050 -0.854) 6.145 6.169 ( -6.451 -7.974 -1.294) 10.337 6.238 ( 3.279 1.444 -9.029) 9.714 6.327 ( 2.332 8.894 4.620) 10.290 6.664 ( -5.422 2.279 -12.109) 13.462 6.727 ( 5.912 -2.328 -3.992) 7.504 7.045 ( -3.485 2.317 -0.574) 4.224 7.239 ( -11.747 1.436 2.008) 12.004 7.433 ( -0.188 2.099 2.178) 3.031 7.746 ( 5.300 1.124 -5.865) 7.985 7.815 ( 3.065 2.410 4.006) 5.590 7.862 ( 6.605 -5.734 7.309) 11.399 8.125 ( 5.070 5.936 4.723) 9.124 8.234 ( 6.231 -0.696 6.449) 8.994 8.440 ( -8.602 -1.670 -0.907) 8.810 8.502 ( -0.519 -3.295 -3.642) 4.939 8.686 ( 1.981 -2.051 4.661) 5.464 8.873 ( -8.942 -12.928 -0.593) 15.730 9.005 ( 1.172 -8.260 -7.167) 10.999 9.084 ( 6.301 4.130 -11.923) 14.104 9.258 ( -5.498 5.267 -1.327) 7.729 9.403 ( 3.241 -4.974 7.081) 9.240 9.858 ( -6.893 -8.140 -1.438) 10.763 9.866 ( -2.004 0.660 1.719) 2.721 10.159 ( 0.413 11.420 0.450) 11.436 10.627 ( 1.008 1.496 -3.564) 3.994 10.674 ( -1.480 3.074 -4.681) 5.792 10.865 ( -1.125 0.704 3.324) 3.579 11.105 ( 0.261 2.190 -2.357) 3.228 11.387 ( 1.529 -7.213 8.916) 11.570 11.602 ( 1.138 -4.118 1.050) 4.399 11.703 ( -0.157 -6.734 -0.482) 6.753 11.962 ( -1.235 -0.529 4.245) 4.452 12.346 ( -8.291 -0.140 -4.443) 9.408 12.723 ( 5.316 -5.914 -0.009) 7.952 12.910 ( -4.811 -1.681 -0.544) 5.126 13.188 ( 2.169 -0.918 -2.824) 3.677 13.357 ( -2.222 4.144 -1.067) 4.822 13.481 ( 1.388 -0.949 -2.305) 2.853 13.708 ( 6.975 2.516 1.063) 7.491 14.017 ( -3.133 -2.052 -5.261) 6.458 14.268 ( 0.837 -6.686 6.210) 9.163 14.453 ( -4.259 0.596 -0.904) 4.395 14.892 ( -7.108 10.289 20.691) 24.177 15.552 ( 5.274 -7.472 -12.073) 15.146 16.056 ( 1.399 11.779 -6.182) 13.376 16.556 ( -9.794 8.247 1.879) 12.941 16.925 ( 5.765 0.779 4.157) 7.150 17.466 ( 17.702 8.154 4.444) 19.990 17.837 ( 9.457 15.305 -0.553) 17.999 18.364 ( 3.191 -2.367 -5.028) 6.408 18.585 ( 12.670 1.141 -0.395) 12.727 19.562 ( -11.626 -1.654 7.386) 13.873 19.712 ( -16.549 -4.232 -0.243) 17.083 19.925 ( -1.324 -7.596 18.234) 19.797 20.146 ( -11.287 0.073 -8.308) 14.015 20.786 ( 13.722 -2.235 -2.465) 14.120 21.238 ( -11.366 -12.941 -9.175) 19.515 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.101 -1.902 -4.427) 4.819 2.645 ( -5.330 1.358 13.048) 14.160 2.793 ( 6.707 11.855 -1.771) 13.735 3.119 ( -2.856 7.053 4.566) 8.874 3.340 ( 3.375 2.702 0.792) 4.395 3.389 ( -3.969 -6.168 2.061) 7.619 3.575 ( -3.196 -0.139 -4.550) 5.562 3.730 ( -1.339 -1.389 -11.061) 11.228 3.778 ( 1.081 1.783 -2.810) 3.499 3.864 ( -9.372 -2.897 5.725) 11.358 3.955 ( 3.064 -4.152 5.460) 7.512 4.308 ( 8.240 -0.594 4.193) 9.265 4.480 ( 0.255 6.135 -2.848) 6.769 4.815 ( 3.920 -4.456 4.771) 7.615 5.121 ( -4.310 -19.010 -11.297) 22.529 5.332 ( -6.904 2.360 -0.188) 7.298 5.551 ( 4.955 6.323 5.350) 9.651 5.758 ( -4.756 -12.296 -5.990) 14.481 6.019 ( 5.994 10.289 5.565) 13.144 6.334 ( 2.604 -0.290 0.249) 2.632 6.407 ( 1.047 1.949 -4.248) 4.790 6.615 ( -5.851 12.010 3.193) 13.736 6.843 ( 10.259 1.829 -12.132) 15.993 6.965 ( -4.915 -2.912 -0.480) 5.733 7.171 ( -1.927 8.487 2.410) 9.031 7.442 ( -1.730 1.416 3.133) 3.849 7.743 ( 0.907 -2.483 -11.635) 11.931 7.855 ( -0.683 -4.826 11.858) 12.820 8.026 ( 6.750 0.176 4.875) 8.328 8.216 ( -5.753 -1.492 7.018) 9.197 8.289 ( -5.340 2.001 -2.531) 6.239 8.357 ( 4.392 -0.961 8.373) 9.504 8.436 ( -3.441 -7.120 -6.264) 10.089 8.641 ( 4.507 -4.100 1.311) 6.233 8.715 ( 2.531 0.725 2.159) 3.404 8.946 ( 3.195 -6.656 -9.549) 12.070 9.174 ( 4.303 5.151 -9.897) 11.958 9.283 ( -0.105 5.107 -1.191) 5.245 9.463 ( 5.324 -6.990 2.172) 9.051 9.699 ( 0.376 -6.522 4.573) 7.975 9.863 ( -1.297 4.134 0.886) 4.423 10.272 ( -2.738 13.087 -0.060) 13.371 10.623 ( -0.873 -2.194 -0.984) 2.558 10.627 ( -4.198 2.721 -4.237) 6.556 10.894 ( -0.470 4.466 2.965) 5.382 11.069 ( -3.508 0.130 -1.600) 3.858 11.407 ( 3.155 -7.885 7.638) 11.423 11.597 ( -0.755 -2.496 0.937) 2.771 11.657 ( 7.186 -8.536 -2.893) 11.527 11.902 ( -1.346 -2.387 -1.433) 3.092 12.266 ( -3.804 7.951 -1.954) 9.028 12.798 ( 5.734 -5.774 -0.264) 8.142 12.880 ( 5.771 -0.333 -1.046) 5.875 13.125 ( -1.439 -3.211 -5.529) 6.554 13.357 ( -4.224 5.747 2.252) 7.479 13.498 ( -0.320 -0.963 0.974) 1.406 13.749 ( -4.397 0.893 -2.207) 5.000 13.967 ( 4.199 -5.540 -0.954) 7.016 14.242 ( -1.507 -1.884 1.436) 2.808 14.431 ( 1.530 0.881 -0.197) 1.777 15.023 ( -4.970 16.947 22.878) 28.902 15.493 ( 4.431 -12.432 -10.529) 16.883 16.126 ( 0.713 5.114 -6.212) 8.078 16.455 ( -13.399 11.190 -1.883) 17.559 16.997 ( 0.559 -3.118 7.735) 8.358 17.709 ( 3.629 -0.423 -3.197) 4.855 17.979 ( -9.671 5.227 0.937) 11.033 18.361 ( 11.673 -7.292 -2.459) 13.981 18.741 ( 1.267 0.879 0.040) 1.542 19.343 ( -12.751 -6.591 1.260) 14.409 19.603 ( 0.107 12.346 6.564) 13.982 19.891 ( -5.723 1.790 -1.396) 6.156 20.007 ( 3.551 -7.097 6.571) 10.303 20.871 ( -2.233 -7.557 -9.603) 12.422 21.110 ( 12.759 1.463 -0.395) 12.848 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -13.216 1.393 -6.055) 14.603 2.506 ( -14.610 -7.039 18.953) 24.944 2.903 ( -2.798 -1.331 -5.031) 5.909 3.145 ( -6.384 -14.622 8.725) 18.185 3.269 ( -8.818 -0.611 0.574) 8.858 3.289 ( 1.368 13.571 2.895) 13.944 3.500 ( -0.401 4.463 -5.996) 7.486 3.602 ( -6.951 -1.284 -7.444) 10.265 3.678 ( -5.490 -2.758 5.308) 8.119 3.977 ( 8.581 7.632 -8.610) 14.353 4.008 ( 2.384 -4.265 5.822) 7.601 4.414 ( 3.587 -5.924 5.863) 9.074 4.447 ( -7.691 -2.272 -10.997) 13.610 4.837 ( 5.035 -6.761 0.368) 8.438 5.018 ( 7.920 8.918 1.558) 12.029 5.236 ( -2.666 0.916 1.114) 3.031 5.560 ( 1.412 -11.178 -5.478) 12.528 5.773 ( 8.293 4.851 3.602) 10.261 6.237 ( -8.204 -2.323 5.716) 10.266 6.244 ( 2.790 5.721 -4.445) 7.763 6.443 ( 2.585 -2.584 0.244) 3.663 6.724 ( -0.182 19.325 -0.973) 19.351 6.884 ( 0.392 -2.604 -4.720) 5.405 6.988 ( 8.152 2.160 -5.412) 10.021 7.300 ( 5.019 7.704 0.592) 9.213 7.411 ( -5.213 -0.208 -0.013) 5.217 7.649 ( -5.155 -2.272 -1.078) 5.736 7.761 ( -1.868 -14.070 7.275) 15.949 8.013 ( -9.628 -9.549 4.345) 14.240 8.026 ( -5.927 2.937 -0.818) 6.665 8.271 ( 1.486 -3.344 -0.670) 3.720 8.373 ( 5.207 7.736 2.588) 9.677 8.528 ( 4.594 2.955 1.125) 5.577 8.752 ( 2.016 -2.067 4.266) 5.151 8.821 ( 6.459 -4.771 -2.096) 8.299 8.898 ( 5.846 3.798 -8.001) 10.612 9.232 ( -2.612 -2.168 -1.183) 3.595 9.283 ( 1.143 1.758 -10.176) 10.390 9.476 ( 12.139 -8.263 -2.592) 14.911 9.805 ( 2.849 0.796 5.912) 6.611 9.919 ( 2.322 7.973 7.198) 10.990 10.319 ( -6.211 13.373 -1.752) 14.849 10.553 ( 0.780 -7.324 -0.944) 7.426 10.585 ( 0.193 -2.065 0.431) 2.118 10.950 ( -0.922 8.989 -2.770) 9.451 11.014 ( -2.293 2.034 -3.433) 4.603 11.374 ( 1.013 -10.392 3.856) 11.130 11.559 ( 1.663 -3.908 1.757) 4.596 11.723 ( 7.852 -3.785 -3.057) 9.237 11.875 ( -3.334 -0.777 2.891) 4.481 12.366 ( 5.585 11.710 -3.882) 13.542 12.796 ( 3.470 -6.897 -3.341) 8.412 13.018 ( 7.258 1.185 0.096) 7.355 13.136 ( 6.730 -0.899 -3.536) 7.655 13.316 ( -8.787 5.112 4.910) 11.289 13.432 ( -5.932 -1.552 3.030) 6.840 13.619 ( -6.702 -0.436 -5.886) 8.930 14.025 ( 8.004 -5.802 4.172) 10.730 14.215 ( -0.082 0.872 -0.770) 1.166 14.505 ( 5.526 1.215 -1.577) 5.874 15.192 ( -8.379 20.872 18.515) 29.132 15.360 ( 1.679 -18.732 -5.525) 19.602 16.151 ( 1.831 -0.476 -2.222) 2.918 16.279 ( -15.505 5.634 -4.942) 17.222 16.961 ( -3.754 -1.781 6.003) 7.301 17.572 ( -14.638 -0.685 -5.031) 15.494 17.726 ( -16.452 -5.121 1.283) 17.278 18.529 ( 7.127 -5.785 -8.618) 12.591 18.621 ( -6.993 -5.953 2.866) 9.621 19.119 ( -10.085 2.318 9.176) 13.830 19.851 ( 1.850 11.111 5.842) 12.689 19.867 ( 8.598 4.563 -3.077) 10.208 20.107 ( 10.431 -4.467 4.818) 12.328 20.744 ( -0.084 -4.623 -5.829) 7.440 21.433 ( 19.307 4.612 -2.653) 20.026 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -25.789 3.690 -2.637) 26.184 2.047 ( -31.121 -13.354 9.688) 35.224 2.721 ( -24.735 -3.917 10.055) 26.986 2.956 ( -4.639 -2.633 1.119) 5.450 3.135 ( 3.190 -4.503 -0.798) 5.575 3.271 ( -10.895 -2.271 -2.600) 11.429 3.491 ( -1.084 -0.404 -3.134) 3.340 3.603 ( 3.107 1.531 -5.826) 6.778 3.688 ( 0.858 9.583 8.152) 12.611 3.889 ( -5.316 -7.096 4.015) 9.733 4.120 ( 0.760 4.814 0.805) 4.939 4.295 ( 3.597 0.489 -2.371) 4.336 4.509 ( 10.705 -5.478 -10.414) 15.907 4.986 ( 9.318 0.885 3.133) 9.870 5.201 ( 0.662 9.341 6.913) 11.640 5.320 ( 8.044 2.578 -7.067) 11.013 5.531 ( 7.962 -7.130 -0.188) 10.690 5.889 ( -4.999 1.334 1.029) 5.275 6.063 ( -4.303 -0.683 1.515) 4.612 6.255 ( 0.732 -4.126 -6.123) 7.419 6.485 ( -1.327 3.876 11.388) 12.103 6.825 ( -1.234 -2.910 -13.195) 13.568 6.915 ( 3.686 10.687 -12.880) 17.137 7.065 ( -2.484 -0.650 0.288) 2.584 7.282 ( -4.955 3.445 2.030) 6.367 7.437 ( 3.474 2.360 3.929) 5.751 7.559 ( -4.220 -3.911 2.179) 6.153 7.723 ( 5.855 -3.111 0.139) 6.632 7.814 ( -1.344 -7.484 10.591) 13.038 8.003 ( 0.519 1.684 -0.619) 1.868 8.267 ( 0.697 -2.505 -4.726) 5.394 8.569 ( 6.090 6.232 1.696) 8.877 8.573 ( -1.791 -1.919 1.111) 2.850 8.661 ( 0.239 -2.630 -5.376) 5.990 8.900 ( 0.438 5.352 3.554) 6.439 9.030 ( -1.508 -10.677 -1.620) 10.904 9.129 ( 6.178 5.934 -5.497) 10.178 9.343 ( 3.113 4.013 -5.847) 7.745 9.610 ( 9.556 -4.925 -6.327) 12.474 9.780 ( -1.984 -2.869 4.226) 5.480 10.099 ( 0.059 7.432 9.139) 11.779 10.348 ( 3.198 4.300 -10.086) 11.421 10.534 ( 5.018 -3.872 -0.603) 6.366 10.650 ( 7.504 -1.096 9.061) 11.816 10.995 ( 0.745 2.688 -8.501) 8.947 11.036 ( 0.327 10.589 -3.778) 11.248 11.287 ( -0.393 -8.141 2.411) 8.500 11.606 ( 4.620 -2.201 6.170) 8.016 11.774 ( -6.760 -2.655 3.753) 8.175 11.809 ( 4.664 -1.102 -2.438) 5.377 12.553 ( 4.844 4.795 -6.533) 9.441 12.837 ( 8.698 1.289 -1.162) 8.869 13.070 ( -2.442 -4.326 3.101) 5.856 13.164 ( -14.553 4.454 4.058) 15.751 13.168 ( -2.259 -2.082 -5.963) 6.708 13.433 ( 5.752 3.296 3.598) 7.543 13.538 ( 0.224 -0.217 -5.285) 5.294 14.153 ( 9.479 -1.945 2.477) 9.988 14.297 ( 9.556 0.474 2.859) 9.986 14.615 ( 6.569 1.633 -3.862) 7.794 15.114 ( -4.626 -18.062 -3.379) 18.948 15.308 ( -10.012 16.727 19.297) 27.430 16.007 ( -12.153 -5.078 -6.569) 14.719 16.174 ( -1.306 5.134 1.091) 5.408 16.909 ( -4.534 -2.494 7.631) 9.220 17.236 ( -21.402 4.824 -7.171) 23.081 17.367 ( -15.125 -10.405 -1.243) 18.401 18.140 ( -26.978 -5.883 -1.591) 27.658 18.607 ( 1.160 -7.414 -10.904) 13.237 19.230 ( 6.921 9.680 25.840) 28.448 19.927 ( 7.087 -2.541 -2.837) 8.046 20.159 ( 8.677 9.134 6.970) 14.398 20.290 ( 10.201 2.353 -0.204) 10.470 20.703 ( 1.790 -4.726 -4.542) 6.794 21.808 ( 20.286 3.778 -4.627) 21.147 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -8.075 15.875 14.098) 22.715 1.680 ( -11.704 24.754 22.945) 35.724 2.661 ( -9.449 18.893 17.870) 27.670 2.820 ( -6.991 4.786 -8.144) 11.752 2.865 ( -7.439 14.166 0.161) 16.001 3.361 ( 2.883 -4.990 -4.504) 7.314 3.491 ( 10.108 1.506 7.503) 12.679 3.620 ( -0.888 -1.608 3.279) 3.758 3.756 ( -0.198 0.668 1.089) 1.293 3.813 ( -2.234 -1.353 -0.132) 2.615 4.065 ( -1.290 1.509 -2.683) 3.337 4.351 ( -1.156 -6.554 2.977) 7.291 4.926 ( -5.960 -7.019 -10.017) 13.606 4.977 ( 6.689 -5.604 0.349) 8.733 5.183 ( 5.820 5.203 5.670) 9.649 5.359 ( -2.073 -4.102 -11.343) 12.239 5.604 ( -6.055 3.673 -6.204) 9.415 5.817 ( 6.474 -3.203 4.033) 8.273 6.067 ( 11.329 -5.631 3.269) 13.067 6.206 ( 1.608 3.689 -1.183) 4.194 6.334 ( -10.198 7.325 -24.624) 27.640 6.595 ( -0.346 -3.336 4.939) 5.970 6.883 ( -8.296 11.748 -1.728) 14.485 7.070 ( -2.147 -7.578 -1.727) 8.063 7.235 ( 2.632 -4.663 4.142) 6.769 7.414 ( -0.526 5.910 1.062) 6.028 7.764 ( 6.526 -3.987 -6.588) 10.094 7.782 ( -2.755 -5.451 -4.602) 7.648 7.906 ( 2.519 5.695 10.615) 12.307 8.102 ( 7.421 -7.842 9.693) 14.509 8.356 ( 0.531 1.853 -9.383) 9.579 8.428 ( -3.006 5.276 6.105) 8.611 8.661 ( 3.031 -0.067 -4.141) 5.133 8.719 ( -2.237 2.446 -11.292) 11.769 8.849 ( -0.633 -12.738 10.389) 16.450 8.993 ( -1.646 2.268 0.331) 2.822 9.253 ( -4.966 -2.151 -3.214) 6.294 9.404 ( 0.304 3.801 2.632) 4.633 9.651 ( -1.920 7.585 7.905) 11.122 9.843 ( 10.925 -7.872 1.973) 13.610 9.971 ( 2.931 -8.062 3.751) 9.363 10.417 ( -0.610 -13.541 -15.725) 20.760 10.525 ( 6.164 -3.078 -7.070) 9.872 10.748 ( -1.684 2.405 -0.387) 2.962 10.880 ( -2.156 2.462 -9.609) 10.151 11.032 ( -0.955 1.422 -5.892) 6.136 11.505 ( 1.191 0.185 1.721) 2.101 11.582 ( -0.866 -1.683 5.971) 6.264 11.762 ( -0.479 2.904 3.615) 4.662 12.008 ( 0.810 0.869 8.529) 8.612 12.744 ( -4.271 -4.055 -0.685) 5.929 12.758 ( -0.603 9.338 3.864) 10.124 12.943 ( 3.111 3.418 3.424) 5.752 12.990 ( -2.443 4.412 0.378) 5.057 13.155 ( 2.011 -8.300 -1.745) 8.717 13.533 ( -2.261 4.875 -4.154) 6.792 13.653 ( 1.977 -8.029 2.348) 8.595 14.328 ( 6.831 -8.193 -6.417) 12.449 14.414 ( 7.401 -20.869 -2.556) 22.290 14.743 ( -0.870 -2.688 2.131) 3.539 14.975 ( 0.370 16.974 1.033) 17.010 15.427 ( 4.930 -8.201 16.523) 19.093 15.689 ( -4.584 8.035 -7.115) 11.670 16.282 ( -5.596 -0.894 5.651) 8.003 16.584 ( -2.875 2.335 -0.173) 3.708 17.102 ( -2.881 14.392 0.385) 14.683 17.153 ( -4.300 15.635 -2.309) 16.379 17.577 ( -18.143 22.663 -1.177) 29.054 18.548 ( -7.337 15.033 -3.717) 17.136 19.712 ( 10.765 -28.057 29.766) 42.298 20.042 ( 8.306 -8.027 -3.937) 12.203 20.219 ( -2.618 -3.550 2.846) 5.250 20.414 ( 7.968 -6.294 -2.786) 10.529 20.856 ( 1.301 -1.872 1.997) 3.031 22.075 ( 9.557 -16.989 -5.517) 20.259 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 13.183 19.412 14.080) 27.366 1.907 ( -5.425 28.436 18.286) 34.240 2.673 ( -4.161 2.686 -20.500) 21.089 2.837 ( 5.784 12.912 -4.346) 14.801 3.012 ( -2.437 18.676 22.758) 29.541 3.290 ( -1.785 -4.397 -4.033) 6.228 3.574 ( -2.922 0.089 4.458) 5.331 3.694 ( -5.616 -1.083 8.198) 9.996 3.737 ( 6.127 0.547 5.154) 8.025 3.894 ( 6.565 7.868 5.935) 11.842 4.028 ( -0.203 -1.492 -5.941) 6.129 4.310 ( 1.268 -3.940 7.056) 8.181 4.635 ( -11.109 -7.413 -4.081) 13.965 5.047 ( 6.610 -4.627 -5.079) 9.534 5.186 ( -1.437 -7.711 -8.702) 11.716 5.382 ( -1.188 -2.217 0.836) 2.650 5.521 ( -0.755 6.734 -3.945) 7.841 5.880 ( 3.734 0.537 2.702) 4.641 6.099 ( -9.881 4.946 -25.705) 27.980 6.183 ( 1.381 -7.818 6.125) 10.027 6.266 ( 5.638 2.898 -5.855) 8.630 6.617 ( 2.736 -2.067 4.232) 5.447 6.841 ( -6.461 8.123 -2.429) 10.660 7.019 ( 3.488 -2.941 0.914) 4.653 7.286 ( 6.268 -7.016 4.554) 10.452 7.417 ( -4.403 3.682 1.184) 5.860 7.608 ( -2.285 0.527 -11.678) 11.911 7.865 ( 7.539 -7.514 0.594) 10.661 7.977 ( -6.695 4.038 9.928) 12.637 8.183 ( 3.381 -2.891 3.981) 5.970 8.273 ( -6.217 0.918 1.022) 6.367 8.486 ( -1.184 6.394 -4.458) 7.884 8.582 ( -4.350 -1.665 -3.757) 5.984 8.688 ( -1.858 -0.876 1.477) 2.530 8.776 ( 4.377 -7.537 -0.846) 8.756 8.965 ( -2.496 1.362 -4.350) 5.197 9.282 ( 5.198 -0.568 8.755) 10.197 9.343 ( -5.223 -7.038 1.597) 8.908 9.670 ( -5.768 4.636 5.258) 9.078 9.901 ( 1.382 -5.871 1.862) 6.312 10.046 ( 9.689 -4.175 2.838) 10.925 10.214 ( 0.265 -11.285 -9.388) 14.682 10.507 ( 0.125 -4.342 -10.880) 11.715 10.703 ( -4.397 4.268 -8.970) 10.863 10.863 ( 3.150 -0.065 -2.597) 4.083 10.999 ( -1.880 -1.180 -1.751) 2.827 11.520 ( -1.309 -2.537 8.451) 8.920 11.638 ( 4.136 6.179 -2.644) 7.891 11.786 ( -2.768 1.462 2.630) 4.088 12.016 ( -2.271 -2.866 9.885) 10.539 12.565 ( -5.958 -6.122 -1.272) 8.637 12.889 ( 1.555 -1.469 2.118) 3.010 12.994 ( 1.646 5.361 0.989) 5.694 13.065 ( 2.661 5.768 3.128) 7.081 13.122 ( -0.791 1.404 1.589) 2.263 13.477 ( -3.818 -0.667 -4.724) 6.111 13.595 ( 0.733 -9.966 2.478) 10.295 14.237 ( -1.203 -7.614 -8.825) 11.718 14.395 ( 9.721 -16.687 2.371) 19.457 14.658 ( -5.288 -4.242 -4.024) 7.883 15.088 ( -2.682 14.312 2.855) 14.838 15.507 ( 0.768 -0.944 8.369) 8.458 15.785 ( 7.811 6.608 -1.106) 10.291 16.232 ( -4.969 1.467 4.040) 6.570 16.653 ( 10.203 3.330 -1.324) 10.814 17.100 ( -5.682 17.061 3.303) 18.283 17.267 ( -10.192 14.310 -2.888) 17.804 17.667 ( 3.776 27.845 -3.100) 28.270 18.575 ( -6.294 12.186 -0.370) 13.721 19.775 ( 12.623 -23.961 22.697) 35.336 20.098 ( 8.104 -8.191 -1.644) 11.639 20.139 ( -2.622 -4.303 4.446) 6.720 20.411 ( 0.016 -7.619 -1.944) 7.863 20.786 ( -5.913 -3.717 -0.238) 6.989 21.931 ( -0.462 -22.021 -6.902) 23.081 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 12.463 12.102 9.819) 19.955 2.184 ( 0.060 28.656 7.280) 29.566 2.596 ( 0.798 6.246 -20.720) 21.655 3.031 ( 7.045 11.100 -12.462) 18.115 3.194 ( 0.933 -2.647 2.669) 3.873 3.301 ( 3.340 8.166 11.892) 14.807 3.509 ( -6.768 -8.595 0.331) 10.945 3.594 ( -0.305 4.289 8.618) 9.631 3.868 ( 2.212 4.657 4.065) 6.566 3.968 ( -1.717 -3.699 -6.734) 7.873 4.145 ( -0.675 11.944 21.903) 24.957 4.305 ( -2.716 -11.494 5.825) 13.169 4.515 ( 6.157 5.808 4.288) 9.488 4.976 ( -1.565 -3.469 -17.571) 17.979 5.105 ( -8.373 -6.891 3.675) 11.450 5.220 ( 1.721 -9.265 -1.248) 9.506 5.601 ( 1.106 2.332 4.297) 5.013 5.892 ( -5.622 0.555 -16.203) 17.159 6.040 ( 6.946 6.037 -5.574) 10.759 6.107 ( 0.771 -5.749 3.657) 6.857 6.341 ( 1.698 3.938 -10.816) 11.635 6.628 ( 0.913 -3.069 -0.493) 3.240 6.830 ( -1.430 0.797 0.559) 1.730 7.082 ( 2.784 0.173 0.337) 2.810 7.329 ( 7.150 -7.257 0.067) 10.188 7.407 ( -0.674 2.955 2.410) 3.872 7.604 ( 2.133 4.417 -4.517) 6.668 7.875 ( -12.347 2.904 4.547) 13.475 7.904 ( 1.251 -1.661 -0.626) 2.172 8.091 ( -4.724 -0.741 5.592) 7.358 8.223 ( -6.165 3.306 1.535) 7.162 8.504 ( -0.354 -1.333 -3.005) 3.306 8.564 ( 3.264 2.934 -0.152) 4.392 8.644 ( -1.926 -2.120 5.606) 6.295 8.813 ( 6.435 -1.904 -9.206) 11.393 8.957 ( -0.051 1.067 -0.947) 1.428 9.138 ( -6.423 -10.813 -0.770) 12.600 9.349 ( 1.598 -6.210 6.122) 8.866 9.575 ( -8.137 -5.709 5.279) 11.255 9.892 ( 0.290 2.139 3.405) 4.032 10.018 ( -0.578 -9.921 -8.554) 13.113 10.200 ( 0.996 3.293 -2.968) 4.544 10.483 ( 6.862 -2.931 -4.451) 8.688 10.649 ( -3.037 6.786 -7.504) 10.563 10.928 ( 0.210 -3.150 3.267) 4.543 10.951 ( 4.044 0.153 -3.754) 5.520 11.493 ( -4.354 -2.960 11.721) 12.850 11.689 ( -3.699 -4.025 -1.248) 5.607 11.738 ( -1.673 3.838 -3.252) 5.302 11.984 ( -1.810 -2.492 11.298) 11.710 12.439 ( -0.723 -5.491 -1.282) 5.685 12.817 ( -1.312 -10.557 0.249) 10.641 13.088 ( -2.601 2.457 0.319) 3.592 13.123 ( -2.184 2.092 2.052) 3.654 13.208 ( 6.002 9.940 -2.446) 11.866 13.420 ( 2.098 -2.941 -2.883) 4.622 13.540 ( 1.457 -3.228 3.931) 5.291 14.110 ( -1.823 -5.766 -6.672) 9.005 14.343 ( -3.560 -8.806 -0.212) 9.500 14.543 ( 0.661 -3.389 2.367) 4.187 15.185 ( -5.893 11.771 7.103) 14.957 15.469 ( -1.351 -4.791 -8.936) 10.229 15.941 ( 3.725 8.859 0.235) 9.613 16.372 ( 12.775 4.407 14.477) 19.804 16.877 ( 11.294 4.629 -7.929) 14.555 17.119 ( -10.871 11.979 -1.621) 16.258 17.415 ( 8.634 22.853 2.791) 24.588 18.070 ( 11.833 22.842 -2.723) 25.868 18.518 ( -9.649 3.742 1.231) 10.422 19.790 ( 4.576 -17.600 7.845) 19.805 20.020 ( -5.328 -8.416 17.497) 20.134 20.190 ( 0.025 -5.269 -6.445) 8.324 20.282 ( 5.165 -10.089 2.152) 11.537 20.608 ( -11.054 -0.239 -3.641) 11.641 21.603 ( -7.305 -21.308 -9.339) 24.384 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 5.135 1.168 2.502) 5.830 2.533 ( 4.431 25.920 0.078) 26.297 2.669 ( 6.261 8.982 -14.748) 18.368 3.183 ( 2.224 4.125 2.755) 5.437 3.223 ( 4.495 3.952 -7.128) 9.307 3.344 ( -1.852 -3.379 -1.559) 4.157 3.429 ( 2.766 0.914 4.290) 5.186 3.693 ( 1.443 -1.251 8.791) 8.996 3.852 ( -1.355 -5.166 -3.303) 6.279 4.007 ( 3.621 10.211 4.845) 11.868 4.140 ( -4.584 -9.636 4.283) 11.498 4.228 ( -10.154 8.781 14.201) 19.542 4.683 ( -2.370 0.006 -8.710) 9.026 4.848 ( -1.642 -15.632 -1.937) 15.837 4.916 ( 1.260 2.047 7.240) 7.628 5.208 ( 3.350 -6.790 4.056) 8.589 5.701 ( 2.712 7.682 9.102) 12.215 5.752 ( -3.128 -0.128 -12.705) 13.085 6.055 ( 5.483 -7.627 -0.116) 9.394 6.271 ( -1.511 4.955 -13.820) 14.759 6.311 ( 4.560 3.414 -1.351) 5.854 6.588 ( 0.314 -3.339 -7.746) 8.441 6.783 ( -3.851 2.049 3.158) 5.385 7.091 ( -0.693 -1.504 -0.866) 1.869 7.383 ( 4.089 -0.519 -1.370) 4.343 7.494 ( 1.700 5.317 4.241) 7.011 7.649 ( -6.510 -1.111 3.498) 7.473 7.729 ( 2.915 2.101 -7.921) 8.698 7.894 ( -2.428 3.110 6.926) 7.972 8.143 ( 3.076 4.729 4.366) 7.134 8.187 ( -0.251 -0.124 4.915) 4.923 8.462 ( -0.779 -0.779 -3.944) 4.095 8.555 ( -5.206 -0.835 -0.338) 5.283 8.664 ( 0.460 -0.782 6.936) 6.995 8.844 ( 1.425 -6.479 -8.014) 10.403 8.888 ( -4.286 -7.775 -1.642) 9.029 8.993 ( 2.086 -1.212 -5.617) 6.113 9.301 ( 0.049 -6.725 1.281) 6.846 9.429 ( -3.989 -1.077 9.347) 10.220 9.851 ( -4.133 -8.318 -6.212) 11.174 9.900 ( -1.909 -1.495 -2.713) 3.639 10.261 ( 1.320 8.821 -1.618) 9.065 10.582 ( 5.459 -1.163 1.168) 5.703 10.686 ( 0.625 8.788 -5.861) 10.581 10.917 ( -0.118 2.376 3.195) 3.984 11.035 ( 5.276 -1.990 -0.883) 5.707 11.406 ( -4.496 -2.984 6.643) 8.558 11.581 ( -4.330 -4.425 1.383) 6.344 11.669 ( -2.590 -4.892 0.408) 5.550 11.981 ( -1.706 -3.686 4.800) 6.288 12.420 ( 1.627 -0.813 -1.643) 2.451 12.652 ( -5.404 -5.710 1.310) 7.970 12.982 ( -6.650 -4.966 0.533) 8.316 13.127 ( 1.453 -1.208 -1.207) 2.243 13.378 ( 4.756 6.084 -1.677) 7.902 13.412 ( 1.324 -2.492 -4.184) 5.047 13.656 ( 6.209 6.507 2.870) 9.441 14.014 ( -1.062 -4.649 -5.345) 7.163 14.172 ( -2.746 -9.458 -1.096) 9.909 14.581 ( -1.890 4.752 6.588) 8.341 15.177 ( -7.036 4.686 14.076) 16.419 15.379 ( 1.316 -2.256 -12.151) 12.429 16.118 ( 4.065 11.966 -7.151) 14.520 16.707 ( 8.870 4.780 20.516) 22.857 16.982 ( -8.442 14.391 -12.551) 20.878 17.160 ( 16.487 -4.683 -0.300) 17.142 17.861 ( 12.555 23.020 2.440) 26.335 18.319 ( -2.983 -10.324 -1.607) 10.866 18.480 ( 5.063 19.936 -1.990) 20.665 19.642 ( -3.771 -14.058 -1.618) 14.644 19.916 ( -5.348 -9.870 7.066) 13.265 19.971 ( -11.610 -2.510 15.679) 19.670 20.379 ( -14.095 3.294 -7.269) 16.198 20.452 ( 17.330 -7.285 -1.538) 18.862 21.229 ( -8.756 -16.321 -8.716) 20.470 ======================= Grid point 116 (57/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 3.964 -1.681 -2.840) 5.158 2.775 ( 1.837 1.958 -1.529) 3.090 2.815 ( 2.524 17.559 1.571) 17.809 3.230 ( 2.635 -1.226 -2.945) 4.138 3.287 ( 3.604 6.238 1.839) 7.435 3.399 ( 0.042 -1.268 2.179) 2.522 3.545 ( 7.370 7.204 -5.522) 11.692 3.625 ( -3.378 -2.462 -2.390) 4.816 3.825 ( 1.340 -8.448 0.705) 8.583 3.915 ( -10.488 -7.436 9.084) 15.742 4.107 ( -13.496 4.280 4.889) 14.978 4.248 ( 5.944 5.613 7.034) 10.785 4.600 ( -2.880 12.108 -9.146) 15.445 4.682 ( 2.016 -13.992 -0.237) 14.138 4.916 ( 0.377 -12.301 -1.113) 12.357 5.310 ( 7.453 -0.273 7.830) 10.814 5.639 ( -4.015 2.172 -6.715) 8.120 5.847 ( -10.100 -1.599 4.379) 11.124 6.043 ( -0.192 2.721 -0.173) 2.733 6.141 ( 9.223 -5.157 -3.990) 11.295 6.455 ( 0.633 3.099 0.324) 3.179 6.615 ( 10.062 0.268 -12.851) 16.324 6.810 ( -1.898 9.058 5.277) 10.654 7.031 ( -4.342 -0.797 -0.274) 4.423 7.391 ( -10.100 8.983 -0.636) 13.532 7.498 ( 0.981 2.462 1.781) 3.193 7.633 ( 2.381 -1.092 -10.535) 10.856 7.790 ( 6.355 -7.662 10.414) 14.407 7.981 ( 1.600 6.340 8.110) 10.418 8.206 ( 1.182 -7.311 2.243) 7.738 8.268 ( 6.544 0.830 -0.209) 6.600 8.418 ( -4.277 0.306 -5.811) 7.222 8.476 ( -3.944 6.920 4.654) 9.225 8.583 ( -8.311 -14.213 -0.389) 16.469 8.679 ( 1.893 -2.802 3.903) 5.164 8.809 ( 1.509 -1.928 -5.325) 5.861 9.082 ( 6.980 2.747 -8.354) 11.228 9.256 ( 1.037 -6.518 1.872) 6.861 9.481 ( -1.717 7.770 3.253) 8.597 9.654 ( -3.329 -8.349 -0.919) 9.035 9.867 ( 1.767 -1.069 -1.706) 2.679 10.367 ( 2.505 6.680 -3.399) 7.903 10.623 ( -0.348 -2.212 4.423) 4.958 10.719 ( -3.657 2.787 -3.952) 6.063 10.985 ( 0.114 8.076 0.515) 8.093 11.097 ( 1.836 5.164 0.515) 5.505 11.360 ( -2.031 -5.614 4.643) 7.563 11.478 ( 1.602 -6.404 -2.474) 7.050 11.605 ( -2.348 -2.745 5.494) 6.575 11.858 ( -2.229 -8.834 -2.723) 9.509 12.421 ( -3.501 7.041 -0.610) 7.887 12.646 ( 5.978 -1.704 2.363) 6.650 12.820 ( -3.674 -7.385 0.258) 8.253 13.093 ( -1.035 -2.503 -4.305) 5.086 13.430 ( 2.891 1.824 -2.988) 4.540 13.481 ( 1.861 3.194 1.902) 4.158 13.811 ( 2.410 4.560 2.588) 5.771 13.890 ( -4.376 -5.206 -5.119) 8.512 14.109 ( 5.584 -9.269 0.043) 10.821 14.579 ( -7.773 7.731 3.842) 11.616 15.195 ( 3.461 -6.287 3.766) 8.104 15.383 ( -1.012 8.604 3.379) 9.299 16.208 ( -3.039 10.553 -8.348) 13.794 16.823 ( -14.509 14.615 -1.709) 20.665 16.947 ( 4.696 -6.850 11.349) 14.063 17.453 ( 18.925 -2.125 -4.821) 19.645 18.119 ( -1.930 -11.172 -2.999) 11.727 18.239 ( 2.717 17.400 1.973) 17.721 18.692 ( 4.165 3.898 -1.339) 5.860 19.430 ( -5.725 -8.038 -1.228) 9.944 19.761 ( -5.110 1.822 -0.131) 5.427 19.901 ( -1.546 -8.399 18.902) 20.742 20.146 ( -14.227 7.422 -5.854) 17.081 20.665 ( 13.648 -6.681 -6.223) 16.420 20.967 ( -1.058 -7.448 -3.254) 8.196 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.041 0.524 -6.774) 6.873 2.763 ( -4.356 -2.985 9.395) 10.777 2.942 ( -3.595 6.633 5.256) 9.195 3.201 ( -11.397 -12.821 4.623) 17.766 3.343 ( 2.059 6.468 -3.900) 7.829 3.422 ( -0.696 1.916 4.556) 4.991 3.496 ( -1.280 3.054 -7.815) 8.488 3.574 ( -4.546 -4.372 -3.380) 7.156 3.837 ( 9.112 7.041 -8.663) 14.410 3.904 ( 6.079 -6.210 8.295) 12.014 3.930 ( -12.434 5.366 3.952) 14.107 4.271 ( -1.462 -7.312 2.520) 7.871 4.629 ( -1.310 -16.634 -4.025) 17.164 4.726 ( -2.414 16.566 0.542) 16.750 4.871 ( 12.146 5.625 -2.799) 13.675 5.339 ( -1.082 -4.188 -9.885) 10.790 5.522 ( -14.897 -4.809 8.705) 17.912 5.705 ( 7.553 4.255 5.376) 10.201 6.137 ( 6.879 -2.479 -8.742) 11.397 6.304 ( 5.778 -0.912 9.347) 11.026 6.453 ( -2.915 5.949 -2.170) 6.971 6.708 ( 6.924 -6.734 -8.634) 12.955 6.908 ( -0.555 11.234 1.155) 11.307 6.960 ( -2.250 1.290 1.983) 3.265 7.360 ( -2.437 9.266 -2.153) 9.820 7.532 ( -4.993 7.111 0.590) 8.709 7.583 ( 1.500 -6.301 -6.413) 9.114 7.792 ( -4.260 -8.993 8.342) 12.985 8.057 ( -0.114 -8.552 3.371) 9.193 8.075 ( -2.567 -3.616 1.630) 4.725 8.234 ( -7.571 -3.397 -2.692) 8.724 8.379 ( 5.099 3.751 1.833) 6.591 8.531 ( 0.051 7.369 1.596) 7.540 8.585 ( 12.424 -2.779 0.942) 12.766 8.694 ( 2.003 -4.357 -3.424) 5.893 8.856 ( 2.754 4.996 -0.128) 5.707 9.184 ( 7.919 -3.764 -3.706) 9.520 9.236 ( 2.943 -0.985 -3.477) 4.660 9.355 ( -9.707 0.893 -5.666) 11.275 9.743 ( 7.373 2.340 7.795) 10.982 9.922 ( 5.064 -0.210 0.077) 5.069 10.452 ( 2.474 4.366 -2.453) 5.586 10.533 ( -6.744 -9.707 4.922) 12.804 10.624 ( -5.731 3.198 -0.683) 6.599 11.062 ( -1.885 8.659 -1.939) 9.071 11.138 ( -8.247 8.119 -5.272) 12.717 11.263 ( 2.072 -7.942 4.358) 9.293 11.481 ( 4.764 -5.372 0.167) 7.183 11.558 ( 1.932 -3.632 0.168) 4.117 11.858 ( 5.429 -0.371 0.441) 5.460 12.454 ( -2.270 11.105 -2.128) 11.533 12.645 ( 1.174 -9.774 0.190) 9.847 12.851 ( 10.417 -0.828 -1.501) 10.557 13.072 ( 1.189 2.342 -1.676) 3.116 13.475 ( -0.981 3.877 -1.608) 4.311 13.517 ( -1.908 0.502 5.770) 6.098 13.717 ( -5.843 -2.946 -7.777) 10.164 13.890 ( 1.957 -1.892 8.769) 9.182 14.125 ( 5.182 -6.810 -0.682) 8.585 14.539 ( -4.880 6.291 0.603) 7.985 15.137 ( 2.029 -14.004 -5.030) 15.018 15.525 ( -1.460 14.350 8.814) 16.904 16.189 ( -5.046 4.663 1.575) 7.049 16.612 ( -16.169 4.136 -8.055) 18.532 17.004 ( 0.498 -1.142 10.390) 10.464 17.563 ( -0.601 -6.353 -8.552) 10.671 18.072 ( -2.945 1.447 1.951) 3.818 18.273 ( -2.472 1.597 -1.651) 3.374 18.714 ( -1.645 -4.983 1.623) 5.493 19.307 ( -5.725 1.756 6.117) 8.560 19.757 ( 2.920 0.166 -10.083) 10.499 19.856 ( 2.385 -11.479 8.967) 14.761 20.114 ( -2.318 17.221 6.435) 18.530 20.646 ( 0.948 -7.616 -6.020) 9.755 21.117 ( 17.801 0.420 -2.869) 18.036 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -10.146 2.762 -6.251) 12.233 2.521 ( -25.882 -4.263 4.622) 26.635 2.917 ( -2.849 -0.515 3.189) 4.307 2.964 ( -0.741 -5.974 10.314) 11.942 3.256 ( -14.069 0.123 2.312) 14.258 3.413 ( 3.299 -3.136 -9.645) 10.665 3.449 ( -9.427 2.510 -3.605) 10.400 3.569 ( 0.991 1.625 -0.527) 1.975 3.856 ( -2.876 8.883 7.411) 11.921 3.939 ( -6.561 -7.566 6.675) 12.035 4.017 ( 8.279 1.435 -2.937) 8.901 4.227 ( 9.775 -0.026 -14.199) 17.239 4.399 ( -5.947 -5.720 10.471) 13.331 4.888 ( 3.439 7.969 2.491) 9.030 5.145 ( 9.569 0.175 -8.401) 12.735 5.286 ( 5.875 6.433 -11.118) 14.125 5.389 ( -2.763 -2.008 13.890) 14.304 5.888 ( 5.726 1.036 2.205) 6.223 6.146 ( 0.429 -3.451 -7.184) 7.982 6.249 ( -8.771 -1.516 6.042) 10.758 6.541 ( 2.899 5.249 3.049) 6.727 6.663 ( 4.913 -11.402 -7.342) 14.424 6.946 ( -1.759 5.027 -9.498) 10.889 7.066 ( 4.746 5.009 2.406) 7.307 7.421 ( 0.235 3.821 -1.721) 4.198 7.457 ( -0.095 -12.262 -2.483) 12.511 7.500 ( -7.051 7.427 2.789) 10.614 7.700 ( -1.813 1.490 5.672) 6.138 7.861 ( -7.401 -6.009 2.864) 9.955 8.064 ( -2.847 -1.809 -1.079) 3.541 8.162 ( 1.638 -2.030 -0.534) 2.663 8.518 ( 4.769 0.762 1.362) 5.018 8.578 ( 2.823 -0.274 -3.570) 4.559 8.631 ( -1.985 -0.084 -2.621) 3.289 8.848 ( 14.859 0.929 3.653) 15.329 8.945 ( 1.104 4.295 1.520) 4.688 9.180 ( -5.840 5.349 -7.205) 10.707 9.312 ( 5.048 -0.113 -0.319) 5.060 9.319 ( 9.620 -1.479 -5.970) 11.418 9.835 ( -1.849 -1.928 4.408) 5.155 10.043 ( 9.997 -1.223 -2.168) 10.302 10.308 ( -6.177 -10.506 -0.279) 12.190 10.534 ( -0.388 6.218 2.877) 6.862 10.600 ( 1.208 0.682 6.142) 6.297 10.989 ( -3.872 -2.910 -4.499) 6.611 11.134 ( -0.219 12.134 -8.402) 14.761 11.248 ( -1.186 -5.716 4.858) 7.594 11.527 ( 4.848 0.572 2.998) 5.729 11.648 ( 7.835 -0.843 -2.203) 8.183 11.890 ( -3.353 -0.258 3.906) 5.154 12.540 ( 0.352 5.856 -7.330) 9.389 12.635 ( 10.007 -4.225 0.284) 10.866 13.004 ( 7.939 -1.996 -2.291) 8.500 13.138 ( 0.841 3.892 -0.509) 4.015 13.449 ( -3.847 1.030 -0.448) 4.008 13.487 ( -8.691 4.638 7.998) 12.689 13.561 ( -3.943 0.025 -6.967) 8.005 13.984 ( 7.877 -2.625 10.335) 13.257 14.152 ( 5.142 -4.450 0.529) 6.821 14.552 ( 1.254 2.985 -3.135) 4.507 14.960 ( -2.038 -17.664 -0.989) 17.809 15.641 ( -2.362 12.344 -0.523) 12.579 16.110 ( -11.881 -2.019 6.781) 13.828 16.394 ( -7.475 6.641 -2.097) 10.216 17.014 ( -4.358 -0.110 8.740) 9.767 17.330 ( -10.922 -8.722 -10.190) 17.297 17.799 ( -24.318 4.732 0.574) 24.781 18.419 ( 10.694 1.567 -5.853) 12.291 18.502 ( -17.773 -3.439 0.715) 18.117 19.335 ( 0.101 3.439 20.732) 21.015 19.749 ( 5.775 -5.459 -5.108) 9.447 19.938 ( 13.292 -7.169 0.437) 15.109 20.338 ( 3.794 14.490 6.519) 16.336 20.582 ( 1.369 -4.596 -5.739) 7.479 21.443 ( 20.838 0.118 -5.833) 21.640 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -18.678 11.533 3.263) 22.193 2.194 ( -10.551 18.925 14.892) 26.292 2.712 ( -0.457 5.796 -14.248) 15.388 2.990 ( -11.718 2.444 -12.757) 17.494 3.231 ( 3.472 -3.144 -1.423) 4.895 3.269 ( -6.249 4.090 11.599) 13.795 3.446 ( 5.293 11.154 14.606) 19.126 3.580 ( 5.053 -1.102 -3.136) 6.048 3.789 ( -0.961 4.195 1.832) 4.677 3.902 ( -4.179 -1.670 3.944) 5.984 4.137 ( -3.131 2.833 2.140) 4.734 4.447 ( -11.428 1.863 12.955) 17.376 4.734 ( 9.505 -5.357 -4.665) 11.866 4.852 ( 3.260 -3.977 -4.321) 6.717 5.199 ( 0.724 -7.375 7.381) 10.459 5.355 ( -5.438 4.200 -12.646) 14.392 5.519 ( 8.378 -5.110 -4.602) 10.839 5.734 ( 6.367 0.940 1.709) 6.659 5.981 ( -4.086 -1.204 2.052) 4.728 6.219 ( 0.557 2.402 3.509) 4.289 6.477 ( -2.734 8.510 -13.756) 16.405 6.583 ( -6.118 -3.072 -14.298) 15.853 6.934 ( 2.619 -4.738 0.918) 5.491 7.044 ( 9.667 -5.026 -1.215) 10.963 7.210 ( -6.701 3.801 0.789) 7.744 7.486 ( -5.276 1.153 7.328) 9.103 7.568 ( 9.151 0.120 -1.379) 9.255 7.862 ( -2.761 -2.890 -2.197) 4.561 7.921 ( -2.512 0.788 0.083) 2.634 8.022 ( 2.116 5.995 8.359) 10.502 8.333 ( 1.047 6.023 -4.903) 7.836 8.534 ( 1.872 -5.216 2.814) 6.215 8.540 ( 5.476 -5.157 -4.331) 8.680 8.665 ( -0.200 0.446 10.623) 10.634 8.840 ( -3.601 -1.693 -6.326) 7.474 9.126 ( -7.249 4.271 -6.440) 10.595 9.180 ( 2.595 -4.536 -6.086) 8.021 9.367 ( 10.882 -8.918 0.325) 14.073 9.535 ( 5.157 -2.581 7.045) 9.104 9.824 ( 3.774 -9.435 3.559) 10.767 9.863 ( -1.504 6.692 5.847) 9.013 10.254 ( 0.226 -5.397 -12.373) 13.501 10.396 ( 1.521 -4.395 -5.221) 6.991 10.793 ( 1.866 3.820 3.319) 5.394 10.921 ( -4.525 1.062 -6.764) 8.207 11.025 ( 1.812 3.191 -3.061) 4.778 11.472 ( 2.200 -2.345 5.154) 6.075 11.618 ( -3.454 -2.746 3.458) 5.606 11.755 ( 2.662 -2.848 0.109) 3.900 12.020 ( 2.180 1.493 8.577) 8.975 12.644 ( 11.250 -1.382 -2.909) 11.702 12.824 ( -1.997 -6.962 -0.279) 7.248 12.965 ( 3.134 9.070 -1.119) 9.661 13.090 ( -3.918 4.787 0.054) 6.186 13.163 ( -8.463 1.480 0.712) 8.621 13.462 ( 5.600 -8.928 3.671) 11.160 13.670 ( -6.529 2.681 -3.936) 8.081 14.017 ( 6.373 -16.640 3.826) 18.224 14.211 ( 2.456 -8.497 -8.134) 12.016 14.741 ( 2.348 1.915 4.133) 5.125 14.981 ( 14.839 8.435 2.682) 17.279 15.497 ( -9.390 4.042 9.705) 14.096 15.854 ( -7.765 7.796 -9.153) 14.313 16.387 ( -2.896 -3.080 4.549) 6.210 16.726 ( -9.508 5.072 4.478) 11.670 17.325 ( 1.835 26.449 -2.709) 26.650 17.417 ( -14.801 6.639 -2.275) 16.381 18.109 ( -18.427 19.083 -2.392) 26.635 18.696 ( -2.171 -0.385 -4.854) 5.331 19.488 ( 2.845 -15.817 29.732) 33.797 19.808 ( 9.358 -6.061 -3.226) 11.606 20.143 ( 12.340 -8.827 -2.460) 15.370 20.234 ( -0.310 -1.485 3.696) 3.995 20.813 ( 0.489 -2.653 -1.174) 2.942 21.665 ( 13.815 -16.560 -9.422) 23.534 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.835 18.079 8.139) 19.844 2.340 ( -5.804 23.898 15.978) 29.327 2.698 ( -3.955 2.479 -17.027) 17.655 2.841 ( -0.321 10.908 -15.327) 18.815 3.205 ( -0.656 -5.146 -0.548) 5.216 3.282 ( -2.034 3.991 9.149) 10.187 3.606 ( 1.333 0.054 1.580) 2.068 3.708 ( 3.123 2.835 5.445) 6.888 3.846 ( -3.202 2.322 5.713) 6.949 3.903 ( 5.536 9.675 4.666) 12.084 4.098 ( -6.702 5.307 9.512) 12.789 4.332 ( -4.257 -5.063 12.156) 13.839 4.689 ( -6.074 -8.055 -9.626) 13.944 4.847 ( 7.526 -2.346 -1.833) 8.094 5.099 ( -0.678 -9.430 -2.307) 9.732 5.385 ( -0.216 4.109 -1.765) 4.477 5.545 ( 1.775 4.059 -12.063) 12.851 5.902 ( -2.282 2.666 4.264) 5.522 5.964 ( 13.114 -6.604 2.872) 14.961 6.218 ( -3.192 -0.876 -2.831) 4.356 6.289 ( -11.048 4.256 -18.158) 21.677 6.549 ( 3.459 -1.576 0.487) 3.832 6.893 ( -1.386 -9.246 1.966) 9.554 7.059 ( 0.214 0.804 -1.799) 1.982 7.190 ( -2.958 3.580 3.223) 5.653 7.457 ( 0.279 -5.364 3.120) 6.212 7.648 ( -1.063 2.189 -9.527) 9.833 7.757 ( -1.457 5.919 0.003) 6.096 8.034 ( 10.443 -1.940 7.279) 12.877 8.130 ( -0.203 4.509 6.188) 7.659 8.331 ( -2.484 2.238 -8.843) 9.454 8.533 ( -1.031 0.457 5.003) 5.128 8.580 ( 7.047 -7.122 -3.051) 10.473 8.698 ( -2.173 -7.186 6.410) 9.871 8.724 ( -5.034 8.273 -6.832) 11.851 9.032 ( -5.104 4.006 -6.596) 9.252 9.175 ( 4.609 -5.841 -1.615) 7.614 9.320 ( -0.947 -14.077 2.737) 14.371 9.709 ( 14.119 -4.388 3.609) 15.219 9.855 ( 5.396 -7.047 3.381) 9.498 9.886 ( -7.246 6.699 9.200) 13.491 10.054 ( -0.732 -10.516 -9.324) 14.074 10.424 ( 1.136 -0.793 -7.246) 7.377 10.833 ( -0.884 -1.116 -2.307) 2.711 10.844 ( -5.355 8.004 -2.420) 9.929 11.010 ( -1.826 -1.231 -1.182) 2.499 11.520 ( 1.553 -1.080 2.660) 3.264 11.617 ( 3.670 2.344 1.380) 4.568 11.782 ( 3.359 -2.578 -0.887) 4.326 12.059 ( -1.470 -0.693 8.349) 8.506 12.582 ( -6.138 -11.603 -2.807) 13.423 12.834 ( 3.687 -6.653 -0.235) 7.610 13.023 ( 1.680 4.330 -2.501) 5.275 13.122 ( -1.082 5.792 0.329) 5.901 13.165 ( 0.025 10.372 3.551) 10.963 13.449 ( 3.866 -12.558 2.333) 13.345 13.545 ( -6.862 -0.178 -3.203) 7.575 14.061 ( 12.412 -10.979 9.303) 19.004 14.130 ( 0.983 -6.644 -9.437) 11.583 14.710 ( -5.276 -1.503 -1.206) 5.617 15.287 ( 1.888 12.270 -0.711) 12.435 15.477 ( 3.635 -3.421 16.707) 17.437 15.769 ( -4.591 9.116 -13.958) 17.292 16.351 ( -3.764 3.419 3.467) 6.154 16.703 ( -5.552 8.362 4.933) 11.184 17.331 ( -3.806 11.860 0.949) 12.492 17.557 ( -4.223 22.105 -4.672) 22.985 18.002 ( -13.880 20.551 -2.009) 24.880 18.672 ( 5.531 -1.313 -5.285) 7.762 19.513 ( 1.732 -12.636 27.285) 30.119 19.882 ( 7.143 -6.286 -0.139) 9.516 20.163 ( -1.320 -5.872 -3.730) 7.080 20.266 ( 7.041 -5.644 4.741) 10.193 20.774 ( 0.250 -5.615 -1.684) 5.868 21.615 ( 6.879 -21.678 -9.284) 24.565 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 9.864 15.649 8.468) 20.345 2.464 ( -5.103 12.127 -10.623) 16.911 2.658 ( -2.647 16.447 1.002) 16.689 2.975 ( 6.141 11.954 -13.093) 18.763 3.156 ( 0.293 -1.908 1.220) 2.284 3.328 ( 0.841 -0.028 4.886) 4.958 3.542 ( -6.156 -5.493 -0.411) 8.260 3.697 ( -1.395 0.141 6.108) 6.267 3.920 ( 0.884 6.185 0.870) 6.308 3.987 ( -3.717 2.416 2.692) 5.187 4.231 ( 4.259 -3.474 11.515) 12.760 4.326 ( 2.673 3.806 11.361) 12.276 4.511 ( -3.336 -2.280 -1.615) 4.351 4.904 ( 2.645 -0.809 -4.982) 5.698 5.070 ( 3.423 0.663 2.828) 4.489 5.270 ( -10.389 -4.301 -0.276) 11.247 5.595 ( 2.232 2.099 -5.000) 5.864 5.876 ( -0.847 -7.216 -8.962) 11.537 6.007 ( 1.962 1.619 -6.782) 7.244 6.058 ( -6.036 -3.274 -0.260) 6.872 6.294 ( 4.474 2.841 -0.720) 5.349 6.578 ( 1.645 -1.418 -2.052) 2.988 6.808 ( 0.744 -4.677 1.420) 4.944 7.071 ( 1.886 -3.704 0.752) 4.224 7.188 ( -0.442 1.998 -1.077) 2.313 7.437 ( 0.799 -1.123 4.409) 4.619 7.616 ( 0.188 4.306 -8.489) 9.520 7.866 ( 2.792 7.949 1.355) 8.534 8.122 ( -7.357 3.425 -1.085) 8.188 8.170 ( -3.214 -1.075 9.408) 10.000 8.296 ( 3.858 2.906 -3.378) 5.894 8.506 ( -4.786 -2.294 0.844) 5.374 8.553 ( -0.008 -5.436 2.663) 6.054 8.655 ( 4.989 3.254 -8.146) 10.091 8.738 ( -2.955 3.172 5.354) 6.889 8.979 ( -2.469 0.723 -3.692) 4.500 9.094 ( -3.117 -11.257 -2.720) 11.994 9.238 ( 5.253 -11.631 3.382) 13.202 9.732 ( -9.417 -2.011 2.650) 9.987 9.873 ( 3.077 -3.875 -0.009) 4.948 9.896 ( 0.279 -1.331 -1.439) 1.980 10.057 ( 11.339 -4.785 2.565) 12.572 10.366 ( 0.206 -0.947 -8.288) 8.345 10.810 ( -3.386 7.379 -4.748) 9.405 10.846 ( 0.802 2.728 1.770) 3.349 10.960 ( -2.206 -2.264 2.291) 3.904 11.553 ( 0.825 -0.536 6.902) 6.972 11.681 ( -1.073 -0.415 -3.921) 4.086 11.801 ( 1.145 1.297 -2.875) 3.355 12.033 ( -3.875 -2.544 9.190) 10.292 12.346 ( -1.454 -16.018 -1.545) 16.158 12.772 ( -1.484 -2.837 0.511) 3.242 13.119 ( 2.951 -0.294 -7.330) 7.907 13.150 ( -0.894 2.678 -0.892) 2.961 13.243 ( -0.227 4.344 5.093) 6.697 13.389 ( -1.045 -5.189 3.602) 6.403 13.490 ( 1.657 2.850 1.518) 3.629 14.031 ( -0.390 -6.833 -8.096) 10.601 14.248 ( 9.508 -3.026 9.149) 13.537 14.555 ( -6.510 -2.657 -4.389) 8.289 15.360 ( -1.345 5.860 9.285) 11.062 15.479 ( -6.004 -0.160 -9.237) 11.018 15.895 ( 10.218 6.213 -2.625) 12.243 16.330 ( 0.337 4.014 1.054) 4.163 16.771 ( 2.022 5.470 7.689) 9.650 17.466 ( -6.313 16.176 -2.127) 17.494 17.565 ( -4.790 17.940 -1.192) 18.607 18.132 ( 3.615 20.410 -2.943) 20.935 18.732 ( -2.421 3.486 0.580) 4.284 19.510 ( 5.582 -16.049 13.349) 21.609 19.939 ( 7.648 -8.480 1.112) 11.473 20.042 ( -1.780 -8.554 -2.681) 9.140 20.305 ( -1.266 -3.218 9.430) 10.044 20.693 ( -3.264 -2.862 -4.202) 6.042 21.413 ( -0.243 -21.300 -8.963) 23.110 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.951 3.894 4.722) 6.194 2.531 ( 7.958 13.354 -19.089) 24.618 2.808 ( -2.361 17.403 5.467) 18.394 3.117 ( 3.276 5.289 -8.897) 10.856 3.206 ( 1.893 4.266 1.709) 4.970 3.294 ( 0.495 -7.829 1.710) 8.029 3.429 ( -1.394 1.169 -3.082) 3.578 3.716 ( 1.999 -4.371 5.028) 6.956 3.900 ( -6.901 1.031 7.352) 10.135 4.027 ( 2.013 4.057 2.254) 5.058 4.206 ( -3.013 0.895 5.510) 6.344 4.435 ( 6.909 -7.580 -8.803) 13.516 4.492 ( -2.356 1.441 6.564) 7.121 4.887 ( -7.971 -4.032 -5.461) 10.470 5.075 ( -6.010 3.514 14.009) 15.644 5.162 ( -0.375 2.506 7.323) 7.749 5.647 ( 4.920 -1.646 -6.991) 8.706 5.751 ( 1.122 1.067 -3.111) 3.474 5.905 ( 0.722 -14.240 4.634) 14.993 6.172 ( 8.893 9.504 -7.124) 14.838 6.332 ( -1.565 1.802 -6.893) 7.295 6.553 ( -2.122 -3.502 -4.792) 6.304 6.814 ( 2.454 -0.809 2.549) 3.629 7.061 ( 1.213 -3.470 1.304) 3.900 7.228 ( 6.168 -1.214 -2.516) 6.771 7.492 ( 1.335 1.991 6.085) 6.540 7.658 ( 3.666 1.442 -8.226) 9.121 7.934 ( -13.599 6.552 -0.191) 15.097 7.996 ( -0.266 7.318 3.707) 8.207 8.153 ( -1.140 1.136 3.786) 4.114 8.274 ( -6.138 0.760 -2.308) 6.602 8.465 ( 0.039 1.031 -1.861) 2.128 8.583 ( 2.181 -2.626 8.000) 8.698 8.725 ( -3.537 0.271 6.963) 7.814 8.750 ( 4.642 4.120 -7.241) 9.537 8.877 ( -3.384 -8.400 -0.486) 9.069 8.927 ( -2.685 -8.134 -4.860) 9.848 9.235 ( 2.613 -3.905 -0.589) 4.735 9.541 ( -9.347 -2.513 9.590) 13.625 9.800 ( -1.260 -5.265 -4.815) 7.245 9.889 ( -1.230 -2.430 -3.885) 4.744 10.205 ( 8.124 -1.162 -4.068) 9.159 10.422 ( 8.646 0.151 -3.581) 9.359 10.826 ( -2.555 5.898 -0.379) 6.439 10.928 ( 0.438 -0.540 1.630) 1.772 10.949 ( 4.288 7.458 4.003) 9.489 11.498 ( -8.116 -4.297 2.941) 9.643 11.631 ( -0.677 0.995 2.631) 2.893 11.725 ( -8.481 -2.857 -3.517) 9.615 11.984 ( -1.479 -5.410 6.539) 8.615 12.272 ( 7.417 -8.626 -1.059) 11.426 12.741 ( -3.617 2.260 1.225) 4.438 13.023 ( -4.480 -6.328 -1.487) 7.895 13.115 ( -1.488 -2.449 -0.710) 2.952 13.357 ( 4.414 5.854 0.630) 7.359 13.367 ( -0.710 -0.920 0.416) 1.234 13.619 ( 6.346 5.292 2.689) 8.689 13.931 ( 0.018 -5.768 -4.650) 7.409 14.195 ( -8.529 -5.303 -5.863) 11.630 14.604 ( 7.373 2.900 10.456) 13.119 15.260 ( -5.586 -4.150 -12.230) 14.071 15.454 ( -4.570 6.799 6.736) 10.606 16.065 ( 8.417 5.553 -4.824) 11.178 16.588 ( 17.746 5.428 8.243) 20.306 16.874 ( 5.017 -2.870 3.326) 6.669 17.353 ( -15.527 14.876 -6.304) 22.408 17.866 ( 11.187 18.460 0.280) 21.587 18.303 ( -2.395 1.998 -0.563) 3.169 18.692 ( -5.892 11.276 1.349) 12.794 19.477 ( 3.676 -14.415 0.986) 14.909 19.864 ( -0.904 -12.817 -0.195) 12.850 20.076 ( 12.401 -4.191 -3.510) 13.553 20.239 ( -8.435 -2.825 16.249) 18.524 20.571 ( -7.869 2.036 -6.155) 10.196 21.151 ( -4.387 -15.198 -6.279) 17.019 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.274 -0.688 1.879) 2.020 2.717 ( 5.887 7.166 -11.579) 14.835 2.948 ( -0.867 5.916 3.840) 7.106 3.097 ( 3.972 -1.608 -2.439) 4.930 3.276 ( 2.358 5.194 -2.511) 6.232 3.377 ( 3.451 2.123 -0.709) 4.114 3.454 ( 6.292 4.629 -5.738) 9.692 3.700 ( 1.981 -7.024 0.741) 7.335 3.820 ( -9.335 2.177 7.557) 12.206 4.029 ( -3.873 -7.467 9.180) 12.451 4.252 ( -2.270 4.891 4.874) 7.268 4.381 ( 0.468 -7.980 -5.929) 9.952 4.461 ( -2.786 2.335 2.503) 4.414 4.656 ( -4.736 -0.831 -12.104) 13.024 5.049 ( -10.763 5.112 14.493) 18.763 5.240 ( 4.592 1.114 8.485) 9.712 5.620 ( 0.866 -2.276 -10.979) 11.246 5.828 ( 5.414 -10.932 -1.232) 12.261 5.974 ( 9.828 6.788 8.879) 14.883 6.171 ( -12.261 -4.123 -6.435) 14.447 6.402 ( 9.233 6.565 -2.948) 11.706 6.470 ( 1.041 -0.921 -5.795) 5.959 6.881 ( 2.427 0.758 4.716) 5.358 7.071 ( 0.771 1.254 0.823) 1.687 7.354 ( 9.854 -1.249 -2.507) 10.245 7.528 ( 1.750 -2.654 -1.440) 3.490 7.640 ( -5.505 4.775 -6.843) 9.997 7.811 ( -5.212 -0.306 11.333) 12.478 8.098 ( -1.547 10.283 5.126) 11.594 8.163 ( 0.634 -2.166 -4.454) 4.993 8.199 ( -2.869 3.687 0.642) 4.716 8.415 ( -2.397 -4.304 -5.041) 7.049 8.549 ( -3.492 -10.868 -2.081) 11.603 8.671 ( -5.310 -4.118 3.596) 7.621 8.700 ( -5.014 8.322 1.419) 9.819 8.796 ( 0.352 -0.003 0.954) 1.017 8.949 ( 6.334 1.607 -1.206) 6.645 9.213 ( -0.657 -3.321 0.844) 3.488 9.531 ( 3.082 -0.391 12.478) 12.859 9.685 ( -6.857 -0.723 -7.329) 10.062 9.801 ( 0.185 -4.232 -5.071) 6.608 10.294 ( 6.394 -1.220 -6.177) 8.974 10.562 ( 7.162 -0.762 0.138) 7.204 10.800 ( -4.342 0.514 0.291) 4.382 10.982 ( 4.023 2.571 -0.540) 4.805 11.164 ( 5.523 10.897 6.632) 13.901 11.362 ( -2.945 -1.888 0.173) 3.502 11.493 ( -10.385 -3.073 -2.663) 11.153 11.660 ( -0.585 2.160 4.187) 4.747 11.843 ( -8.340 -10.653 1.609) 13.625 12.372 ( 9.478 -1.867 -0.917) 9.703 12.703 ( -5.450 7.695 0.940) 9.477 12.858 ( -7.633 -7.759 2.982) 11.285 13.081 ( -0.519 -0.383 -1.463) 1.600 13.345 ( 2.334 -2.913 -1.807) 4.147 13.477 ( 3.835 3.069 0.361) 4.925 13.799 ( 5.788 5.443 1.214) 8.038 13.899 ( 1.665 -2.348 -1.767) 3.377 13.966 ( -5.393 -8.762 -4.631) 11.283 14.758 ( -0.006 4.323 6.559) 7.855 15.104 ( -3.390 -2.272 -10.091) 10.885 15.482 ( 0.292 3.494 9.339) 9.976 16.273 ( 7.405 9.894 -9.613) 15.656 16.804 ( 2.469 -15.273 18.176) 23.869 17.067 ( 16.594 4.961 -13.298) 21.836 17.225 ( -9.654 13.322 2.001) 16.573 18.111 ( -9.090 -6.939 -0.570) 11.450 18.254 ( 12.714 13.653 -0.121) 18.656 18.724 ( -3.230 0.667 -0.930) 3.427 19.408 ( 0.161 -1.554 -2.104) 2.620 19.729 ( -0.753 -10.166 -2.865) 10.589 20.076 ( -11.747 -3.066 13.282) 17.995 20.298 ( 16.740 -5.999 -3.580) 18.140 20.430 ( -10.297 7.591 -2.824) 13.100 20.942 ( -4.864 -5.877 -1.557) 7.787 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 2.442 1.134 0.115) 2.695 2.722 ( -0.123 -8.592 1.074) 8.659 3.013 ( 4.993 -0.260 3.377) 6.033 3.218 ( 3.888 6.314 -5.089) 8.994 3.321 ( 2.024 -1.699 -5.150) 5.788 3.445 ( 0.624 5.024 4.633) 6.862 3.551 ( -3.029 -4.875 -3.142) 6.543 3.661 ( -3.732 0.464 0.023) 3.761 3.748 ( 4.285 7.141 -8.320) 11.772 3.858 ( -6.621 -10.424 19.553) 23.126 4.148 ( -7.992 -0.424 -4.945) 9.407 4.292 ( -4.034 -1.987 -4.627) 6.452 4.448 ( 0.532 -8.154 4.368) 9.265 4.745 ( 9.513 13.640 -5.149) 17.408 5.018 ( -8.467 15.292 4.853) 18.140 5.273 ( -3.954 -6.956 -1.917) 8.228 5.611 ( 7.459 -1.378 -1.962) 7.835 5.777 ( -3.632 -8.272 4.720) 10.193 5.931 ( -2.204 -4.896 -3.391) 6.351 6.235 ( 7.852 6.741 3.805) 11.026 6.496 ( 2.108 0.278 0.236) 2.140 6.541 ( 3.498 0.994 -5.168) 6.319 6.931 ( 2.311 -2.538 4.974) 6.043 7.095 ( -4.313 7.001 0.110) 8.223 7.437 ( 3.968 -0.934 -10.537) 11.298 7.532 ( -6.038 2.640 0.538) 6.612 7.593 ( 6.529 -5.499 2.380) 8.862 7.784 ( -4.719 2.444 9.080) 10.521 8.078 ( -2.680 -2.177 -4.253) 5.478 8.116 ( -7.476 -2.986 1.035) 8.116 8.253 ( 5.991 5.531 2.708) 8.592 8.342 ( -2.294 -8.527 -1.794) 9.010 8.391 ( 3.169 1.903 -5.186) 6.369 8.622 ( -1.358 -0.718 3.620) 3.932 8.669 ( -4.547 1.797 -2.847) 5.658 8.872 ( 2.380 6.004 0.013) 6.459 9.052 ( 3.953 0.382 5.269) 6.598 9.204 ( 1.410 2.491 -1.769) 3.365 9.491 ( -7.759 -2.183 -4.188) 9.084 9.673 ( 6.336 -0.945 3.924) 7.513 9.812 ( 3.366 1.064 -0.432) 3.557 10.368 ( 6.902 -1.763 -2.217) 7.461 10.596 ( -3.952 -6.073 8.789) 11.391 10.714 ( -3.020 2.712 -8.300) 9.240 11.103 ( 5.375 3.715 0.767) 6.578 11.230 ( -5.877 -7.771 1.532) 9.863 11.372 ( 2.420 0.183 -0.175) 2.433 11.384 ( -5.749 15.610 -1.907) 16.744 11.553 ( -7.661 -11.352 1.826) 13.816 11.743 ( 5.781 4.217 -0.788) 7.199 12.522 ( 5.706 3.551 -0.430) 6.735 12.639 ( -7.713 -8.550 1.758) 11.649 12.736 ( 0.178 7.931 -1.789) 8.132 13.088 ( 0.508 4.034 -0.161) 4.069 13.391 ( 6.371 -4.246 1.466) 7.795 13.550 ( 1.834 0.702 1.735) 2.620 13.744 ( -5.841 -5.846 -5.793) 10.092 13.918 ( 1.539 3.474 4.752) 6.084 13.965 ( 6.148 -3.461 -1.789) 7.279 14.732 ( -7.878 2.734 2.118) 8.603 15.003 ( -1.834 -5.654 -2.177) 6.330 15.601 ( 4.329 4.730 -0.487) 6.430 16.364 ( -4.121 7.036 2.035) 8.404 16.699 ( -1.558 -15.186 -0.327) 15.269 17.052 ( -2.614 0.618 -1.525) 3.088 17.471 ( 7.513 6.408 0.492) 9.887 17.977 ( 1.176 2.189 0.180) 2.491 18.528 ( -10.444 1.952 -0.674) 10.646 18.576 ( 10.099 -6.628 0.618) 12.095 19.429 ( -2.350 6.964 2.293) 7.699 19.630 ( 2.498 -7.402 -6.942) 10.451 19.862 ( -10.420 -8.784 6.769) 15.216 20.321 ( -2.536 1.953 -4.334) 5.388 20.537 ( 6.570 5.702 2.445) 9.037 20.897 ( 3.857 1.689 -0.253) 4.218 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 0.012 5.017 -3.418) 6.071 2.660 ( 4.173 -11.390 5.245) 13.215 2.949 ( -15.282 -8.121 0.339) 17.309 3.154 ( -7.204 1.736 4.282) 8.558 3.307 ( -0.436 -0.744 -7.060) 7.113 3.424 ( -1.596 -0.858 -5.352) 5.650 3.544 ( 0.992 0.783 13.714) 13.772 3.643 ( -4.189 7.826 -2.546) 9.235 3.830 ( 7.640 -6.933 9.030) 13.710 3.902 ( 3.317 0.552 -1.065) 3.528 4.054 ( 2.354 5.490 -15.834) 16.923 4.135 ( -10.850 0.929 -0.403) 10.897 4.401 ( 0.007 -5.915 8.687) 10.510 4.969 ( 1.968 1.415 -7.899) 8.263 5.103 ( -6.445 6.771 5.593) 10.893 5.139 ( 9.554 12.740 -11.664) 19.739 5.610 ( -11.541 -0.760 11.122) 16.046 5.767 ( 6.935 -2.750 0.770) 7.500 5.957 ( 12.623 -6.966 -1.012) 14.453 6.367 ( -0.616 0.486 2.902) 3.006 6.492 ( -3.501 -3.849 -7.349) 9.005 6.540 ( 3.475 0.058 3.352) 4.828 6.973 ( 1.603 -1.314 2.343) 3.128 7.065 ( -2.307 5.325 -5.879) 8.261 7.349 ( -4.252 -12.783 -0.890) 13.501 7.451 ( -2.097 -0.613 -0.401) 2.221 7.657 ( 2.345 0.985 -0.542) 2.601 7.800 ( -4.745 9.738 3.093) 11.265 7.953 ( -6.980 1.013 -4.544) 8.390 8.069 ( 0.395 0.182 6.652) 6.666 8.195 ( -4.473 -2.439 0.238) 5.101 8.437 ( 4.252 1.854 1.215) 4.795 8.504 ( 4.872 -2.963 -3.714) 6.805 8.584 ( 7.639 -2.912 -1.264) 8.272 8.658 ( 2.338 1.669 -0.492) 2.914 8.965 ( 3.384 7.236 -5.042) 9.447 9.168 ( 2.987 4.411 8.310) 9.871 9.280 ( 2.715 4.900 -3.136) 6.419 9.335 ( -7.316 -0.253 -2.856) 7.857 9.771 ( 9.657 -6.716 -2.035) 11.937 9.870 ( 0.731 0.413 0.701) 1.093 10.400 ( -10.647 -6.222 1.501) 12.423 10.511 ( 7.357 -0.177 10.679) 12.969 10.674 ( -2.873 2.407 -4.142) 5.586 11.024 ( -7.427 -7.875 -0.695) 10.847 11.201 ( 0.364 5.120 -3.840) 6.411 11.253 ( -3.811 -3.433 -0.472) 5.151 11.498 ( 3.015 4.943 0.782) 5.842 11.542 ( 4.977 5.375 -1.215) 7.425 11.893 ( 5.085 2.595 0.460) 5.727 12.443 ( -1.625 -9.534 -0.100) 9.672 12.645 ( -0.204 10.364 -3.400) 10.909 12.844 ( 6.609 1.843 -2.167) 7.195 13.170 ( 1.843 5.884 -0.172) 6.168 13.444 ( 2.305 -6.428 3.923) 7.875 13.549 ( -0.841 -2.438 -5.234) 5.835 13.631 ( -1.288 2.003 3.270) 4.045 13.991 ( -0.306 2.987 8.367) 8.890 14.025 ( 5.693 -1.298 -1.713) 6.085 14.611 ( -6.583 -0.462 -1.368) 6.740 14.869 ( -4.911 -10.976 3.951) 12.657 15.674 ( 2.647 4.605 -13.188) 14.218 16.361 ( -8.125 -0.695 21.674) 23.157 16.464 ( -4.940 -6.663 -11.149) 13.896 17.033 ( 1.004 -5.345 -2.301) 5.905 17.498 ( -8.662 8.401 1.118) 12.118 18.135 ( -4.244 -1.649 2.115) 5.021 18.261 ( 0.288 2.203 -4.016) 4.589 18.679 ( -2.468 1.405 2.231) 3.611 19.458 ( -3.329 1.540 11.036) 11.630 19.630 ( 2.362 -0.347 -9.132) 9.439 19.669 ( 3.965 -10.933 4.322) 12.407 20.292 ( 3.424 -7.206 -4.822) 9.322 20.679 ( -3.263 15.656 4.802) 16.698 21.087 ( 16.040 -0.037 -4.582) 16.682 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -21.917 4.660 -0.950) 22.427 2.404 ( 4.686 9.251 4.291) 11.223 2.858 ( -8.011 9.077 -3.313) 12.551 3.156 ( 6.086 3.502 -3.306) 7.761 3.165 ( -10.745 1.210 -0.867) 10.848 3.369 ( -2.392 5.276 -2.763) 6.418 3.430 ( 1.200 -6.424 -5.543) 8.569 3.567 ( 0.972 2.582 15.394) 15.640 3.854 ( 0.537 2.315 -0.148) 2.381 3.947 ( -1.774 0.741 6.675) 6.946 4.144 ( 3.205 2.074 -1.780) 4.212 4.487 ( 7.354 -8.786 -5.166) 12.569 4.620 ( -0.788 -8.442 6.647) 10.773 4.851 ( 4.227 6.761 -0.214) 7.976 5.244 ( -7.788 -1.366 4.522) 9.109 5.307 ( 0.993 2.400 6.416) 6.921 5.498 ( -5.972 2.890 -3.043) 7.299 5.658 ( -0.510 -2.294 -5.367) 5.859 5.981 ( 3.085 -9.736 4.820) 11.293 6.289 ( -2.451 3.910 0.321) 4.626 6.383 ( 8.485 -2.539 -7.918) 11.880 6.611 ( -1.732 3.797 -20.502) 20.923 6.833 ( 2.631 1.230 2.050) 3.555 6.962 ( -3.077 2.082 3.368) 5.014 7.264 ( 9.374 2.484 -3.330) 10.253 7.400 ( 1.389 -0.831 1.271) 2.057 7.694 ( -8.662 2.242 8.075) 12.053 7.871 ( -2.085 1.754 -4.387) 5.164 8.061 ( -7.743 1.350 -1.368) 7.978 8.092 ( -0.060 4.576 8.012) 9.227 8.292 ( 8.512 -10.013 0.699) 13.161 8.409 ( -3.378 5.291 1.158) 6.383 8.476 ( 1.297 -0.591 0.364) 1.471 8.686 ( 1.650 -6.104 5.840) 8.608 8.828 ( 3.985 -11.926 1.289) 12.640 9.030 ( 1.107 -2.692 -13.869) 14.171 9.105 ( 3.999 6.151 -3.753) 8.241 9.262 ( -2.510 2.879 -6.273) 7.345 9.518 ( -2.301 -7.549 8.790) 11.813 9.675 ( 2.394 -6.630 3.291) 7.779 9.938 ( 1.862 2.199 1.231) 3.134 10.185 ( 3.416 3.588 -8.732) 10.040 10.366 ( -3.824 -1.148 -3.089) 5.048 10.785 ( 4.025 3.018 1.133) 5.156 10.942 ( 1.916 -0.061 1.829) 2.649 11.072 ( -2.735 7.592 -2.321) 8.397 11.428 ( 1.111 -5.909 6.656) 8.970 11.658 ( 1.948 -5.077 -2.035) 5.806 11.678 ( -6.171 -4.032 1.695) 7.564 12.006 ( 4.519 -0.148 6.542) 7.953 12.393 ( 12.585 -0.306 -4.642) 13.417 12.784 ( -3.572 -6.397 -0.533) 7.346 13.007 ( 0.393 9.069 -6.403) 11.109 13.183 ( -0.582 -1.125 -3.573) 3.791 13.222 ( 2.706 -5.178 5.856) 8.272 13.417 ( -6.400 2.200 4.509) 8.131 13.814 ( -7.204 3.377 -6.936) 10.555 13.867 ( -1.315 -10.858 6.988) 12.979 14.059 ( 2.139 -6.574 -6.557) 9.528 14.714 ( 8.708 3.969 5.741) 11.160 14.812 ( 8.741 3.277 4.359) 10.303 15.746 ( -6.066 8.210 7.279) 12.538 16.000 ( -7.051 2.781 -12.552) 14.663 16.379 ( 5.591 6.837 3.868) 9.642 16.971 ( -8.439 0.003 10.551) 13.511 17.494 ( -3.568 11.086 -11.850) 16.615 17.761 ( -12.081 12.120 2.449) 17.287 18.442 ( -4.778 1.819 -5.691) 7.650 18.700 ( -8.016 -4.714 2.254) 9.568 19.442 ( 5.037 -3.029 9.841) 11.463 19.600 ( 11.265 0.580 4.548) 12.163 19.858 ( 6.599 -8.914 0.017) 11.091 20.235 ( 3.028 1.528 8.161) 8.838 20.819 ( -7.104 -3.231 -5.650) 9.635 21.244 ( 11.763 -13.185 -9.211) 19.926 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -7.887 11.218 3.341) 14.114 2.597 ( 2.392 11.778 -0.601) 12.034 2.822 ( -7.229 12.146 2.938) 14.437 2.960 ( -9.642 5.842 -9.285) 14.605 3.195 ( -1.330 0.897 -0.162) 1.612 3.359 ( -1.596 2.661 -1.417) 3.411 3.513 ( 8.004 -0.555 -4.234) 9.072 3.714 ( 3.964 2.249 11.809) 12.658 3.880 ( 0.730 -1.912 2.698) 3.387 3.970 ( -1.000 6.237 7.928) 10.137 4.197 ( 0.576 0.240 2.388) 2.468 4.385 ( -3.367 -9.514 3.652) 10.732 4.543 ( 2.676 -10.513 -10.835) 15.332 4.842 ( -1.830 -3.425 -5.090) 6.402 5.144 ( -8.775 5.768 11.368) 15.476 5.430 ( 0.666 0.827 -5.473) 5.575 5.476 ( 2.459 6.040 -4.728) 8.056 5.694 ( 11.201 -5.872 6.211) 14.090 5.962 ( -0.502 -2.480 4.454) 5.123 6.242 ( -2.923 -4.334 -1.458) 5.427 6.391 ( -1.992 0.151 -9.717) 9.920 6.538 ( -3.259 6.691 -11.659) 13.832 6.854 ( -1.356 -3.503 3.088) 4.863 6.990 ( 2.024 -0.214 1.167) 2.346 7.341 ( -2.931 7.785 -0.709) 8.348 7.416 ( -0.218 -6.513 1.075) 6.605 7.663 ( -0.846 4.565 -0.160) 4.645 7.874 ( 0.654 3.025 3.895) 4.975 7.940 ( -2.942 2.393 0.388) 3.812 8.153 ( 2.209 2.277 -0.173) 3.177 8.351 ( 7.564 -5.897 -0.997) 9.643 8.366 ( -1.178 -1.309 -4.128) 4.488 8.567 ( 1.047 5.208 3.867) 6.571 8.675 ( 0.693 -4.655 3.189) 5.685 8.806 ( 1.660 -3.331 1.430) 3.987 8.961 ( 4.073 -6.550 -12.273) 14.495 9.124 ( -1.291 -6.098 -9.776) 11.594 9.241 ( -4.672 2.904 2.375) 5.992 9.472 ( 7.502 -10.432 11.068) 16.959 9.719 ( 5.125 -2.729 3.836) 6.959 9.928 ( 0.054 -5.526 -8.609) 10.230 10.134 ( -6.363 5.424 5.370) 9.937 10.411 ( 0.361 4.729 -1.355) 4.932 10.835 ( -1.495 -1.296 -1.643) 2.572 10.955 ( 0.822 5.514 -1.270) 5.718 11.071 ( -5.712 4.110 -1.029) 7.112 11.474 ( 2.833 -2.889 0.823) 4.129 11.544 ( 4.695 -4.131 1.415) 6.411 11.684 ( 2.089 -2.689 -0.474) 3.438 12.062 ( 3.036 -5.159 5.094) 7.860 12.534 ( -1.806 -7.761 -5.422) 9.638 12.661 ( 6.183 -4.346 0.731) 7.593 13.028 ( -0.857 2.614 -6.653) 7.200 13.155 ( 0.619 -2.497 -4.005) 4.760 13.238 ( 2.492 -6.190 5.384) 8.574 13.386 ( -4.815 7.775 6.315) 11.113 13.675 ( -6.797 2.448 -1.860) 7.460 13.882 ( 5.173 -2.266 11.094) 12.449 14.004 ( 1.855 -6.064 -7.391) 9.739 14.789 ( -4.062 0.367 0.716) 4.141 15.088 ( 18.084 2.713 -1.371) 18.337 15.675 ( -12.222 -3.437 13.251) 18.352 15.919 ( -4.310 15.990 -18.057) 24.501 16.501 ( -5.883 4.473 11.000) 13.252 16.918 ( -3.813 11.020 5.821) 13.033 17.450 ( -2.453 2.137 -8.981) 9.552 17.851 ( -4.358 24.869 0.449) 25.252 18.394 ( 6.674 -6.261 -4.270) 10.098 18.447 ( -15.963 1.516 -0.123) 16.035 19.549 ( 4.241 -2.304 11.408) 12.387 19.788 ( 0.037 1.014 12.399) 12.440 19.917 ( 12.971 -9.514 -4.850) 16.801 20.259 ( -3.222 0.023 5.117) 6.047 20.679 ( 1.010 -7.074 -5.516) 9.027 21.234 ( 9.018 -17.325 -8.995) 21.504 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 5.165 12.568 6.011) 14.858 2.588 ( -7.453 6.469 -11.906) 15.465 2.919 ( -4.119 13.344 5.983) 15.193 2.971 ( 4.004 12.005 -3.240) 13.064 3.188 ( -1.911 4.509 4.908) 6.933 3.357 ( -2.173 1.399 -1.426) 2.952 3.540 ( -0.522 -5.146 -4.221) 6.676 3.710 ( -2.041 -5.603 2.935) 6.647 3.953 ( 3.322 3.545 4.469) 6.601 4.057 ( 1.798 -2.425 6.218) 6.912 4.178 ( -0.287 -0.132 -2.196) 2.218 4.317 ( -1.553 -2.121 2.996) 3.986 4.432 ( 3.500 -6.830 -11.590) 13.901 4.848 ( 5.988 -0.439 4.048) 7.242 5.150 ( -3.669 6.423 10.113) 12.530 5.391 ( -4.150 3.939 -5.475) 7.919 5.511 ( 3.321 -3.823 -6.183) 7.992 5.762 ( 1.566 -7.261 -1.323) 7.545 5.924 ( -3.293 -10.715 4.566) 12.104 6.207 ( -1.922 3.667 0.139) 4.142 6.291 ( -2.735 7.182 -3.738) 8.546 6.539 ( 0.910 1.583 -3.647) 4.079 6.790 ( -2.637 -2.283 0.655) 3.549 6.995 ( 1.015 -3.427 2.160) 4.176 7.263 ( -5.657 -2.958 -1.564) 6.573 7.436 ( 1.645 4.874 3.483) 6.212 7.625 ( -2.683 0.944 -7.877) 8.375 7.967 ( 0.268 12.309 1.758) 12.437 8.095 ( 9.947 1.291 7.543) 12.550 8.228 ( 3.450 2.928 1.487) 4.763 8.280 ( -3.979 -0.740 -7.046) 8.126 8.425 ( 5.945 -5.617 1.614) 8.337 8.589 ( -4.604 -2.414 2.049) 5.588 8.638 ( -0.246 5.431 -7.429) 9.206 8.800 ( 0.545 -2.961 0.375) 3.034 8.960 ( 2.542 -11.730 -3.349) 12.461 8.986 ( 3.339 -9.063 -2.965) 10.103 9.139 ( -7.831 3.183 3.611) 9.193 9.603 ( 11.493 -7.324 -2.011) 13.776 9.799 ( 4.210 -0.025 2.756) 5.033 9.869 ( 3.614 -5.277 -0.578) 6.422 10.094 ( -10.425 5.630 9.195) 14.998 10.389 ( -4.713 2.015 -3.163) 6.023 10.782 ( -0.112 -0.331 -5.071) 5.083 10.963 ( -3.519 -1.999 -0.536) 4.083 11.044 ( -2.942 9.608 2.020) 10.249 11.505 ( 5.524 -2.947 3.796) 7.322 11.645 ( 3.534 -1.746 -2.886) 4.885 11.712 ( 5.382 1.471 -4.081) 6.912 12.059 ( 3.174 -10.370 2.662) 11.166 12.265 ( -10.725 -10.429 0.703) 14.976 12.766 ( 2.959 1.225 -1.104) 3.387 13.017 ( 2.300 -1.964 -8.248) 8.785 13.116 ( 3.114 -7.337 0.143) 7.972 13.266 ( 0.975 1.452 4.430) 4.763 13.427 ( -2.158 5.413 6.575) 8.785 13.598 ( -6.480 5.421 -0.194) 8.451 13.938 ( 0.890 -5.424 -4.432) 7.060 14.089 ( 11.686 1.502 11.399) 16.394 14.646 ( -8.867 -2.222 -6.419) 11.170 15.400 ( 14.431 0.700 -4.404) 15.104 15.487 ( -7.916 -4.453 8.669) 12.556 15.901 ( -6.800 14.081 -9.265) 18.176 16.429 ( -6.947 1.885 -0.614) 7.224 16.950 ( -8.695 7.405 9.590) 14.913 17.533 ( 8.283 7.200 -0.457) 10.984 17.920 ( -12.501 16.401 -3.545) 20.924 18.291 ( -1.716 5.864 -1.502) 6.292 18.566 ( 13.096 1.178 0.582) 13.162 19.560 ( -8.219 -2.034 10.737) 13.673 19.774 ( 2.438 -8.791 6.483) 11.192 19.924 ( 1.168 -7.108 -12.295) 14.249 20.289 ( 4.180 -2.404 10.724) 11.758 20.658 ( 2.465 -1.628 -3.796) 4.810 21.148 ( 4.599 -15.870 -6.582) 17.786 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 3.916 4.246 5.021) 7.654 2.527 ( -1.725 12.003 -11.048) 16.404 2.957 ( -0.768 4.485 1.434) 4.771 3.173 ( 2.461 11.519 1.630) 11.892 3.234 ( -6.054 -9.108 0.766) 10.964 3.283 ( 0.060 12.414 4.051) 13.058 3.419 ( -2.269 -7.381 -7.302) 10.627 3.655 ( 0.411 -5.278 2.298) 5.771 4.004 ( -0.763 -1.133 2.780) 3.098 4.039 ( -0.689 -1.180 -1.899) 2.339 4.209 ( 4.665 0.406 -9.357) 10.463 4.288 ( 0.615 -1.740 0.379) 1.884 4.452 ( 4.652 -1.244 2.358) 5.362 4.973 ( -1.128 0.390 6.912) 7.014 5.154 ( -1.281 -1.428 -1.627) 2.515 5.363 ( -5.765 9.034 6.910) 12.752 5.525 ( 5.846 -0.216 -6.951) 9.085 5.690 ( -0.577 -5.291 0.132) 5.325 5.760 ( 0.295 -14.618 10.110) 17.776 6.202 ( -1.576 10.571 -2.350) 10.943 6.351 ( -1.533 2.354 -1.529) 3.198 6.537 ( -1.063 -0.621 -5.675) 5.807 6.774 ( 1.784 0.804 0.605) 2.048 6.981 ( 1.631 -5.300 3.173) 6.389 7.178 ( -0.490 -0.283 -2.552) 2.614 7.523 ( 0.975 2.912 2.346) 3.864 7.590 ( 1.525 1.197 -3.758) 4.229 8.064 ( -1.891 4.123 -4.267) 6.228 8.187 ( -3.708 11.348 -2.805) 12.263 8.215 ( -3.434 -3.284 5.542) 7.300 8.304 ( 1.517 -0.662 -5.003) 5.270 8.455 ( 2.964 1.477 0.731) 3.391 8.541 ( 1.064 -4.422 10.224) 11.191 8.693 ( 3.440 4.801 -7.306) 9.395 8.740 ( 0.472 -10.881 -0.126) 10.892 8.856 ( -3.350 -7.072 5.508) 9.569 8.916 ( -1.312 0.678 -0.760) 1.661 9.154 ( 1.933 2.208 -0.727) 3.023 9.655 ( 1.852 -2.331 -1.629) 3.393 9.830 ( -3.821 0.196 -0.466) 3.855 9.940 ( -12.128 1.142 3.036) 12.554 9.964 ( 12.398 -5.668 -0.192) 13.634 10.344 ( -0.125 2.247 -0.644) 2.341 10.783 ( 2.528 -0.552 -5.426) 6.011 10.920 ( 0.260 -1.205 1.938) 2.296 11.089 ( -2.170 8.270 1.037) 8.612 11.582 ( -1.881 -3.027 3.888) 5.274 11.638 ( 2.665 0.812 1.895) 3.370 11.772 ( -0.927 0.698 -6.974) 7.070 12.017 ( 8.965 -11.391 -1.688) 14.594 12.049 ( -8.877 -2.710 5.901) 10.999 12.811 ( 0.017 4.753 0.658) 4.798 12.984 ( 0.810 -4.680 -4.538) 6.569 13.100 ( 0.405 -3.705 1.086) 3.882 13.327 ( 2.007 2.885 -0.607) 3.567 13.443 ( -3.435 0.278 7.448) 8.206 13.586 ( 1.452 2.484 0.120) 2.880 13.894 ( -0.706 -1.032 -0.474) 1.337 14.261 ( -3.729 -2.442 -2.330) 5.030 14.521 ( 5.650 0.725 4.293) 7.133 15.295 ( -8.582 -3.465 -11.083) 14.439 15.564 ( 3.034 3.977 4.100) 6.468 15.987 ( 2.900 4.357 -0.736) 5.285 16.376 ( 6.961 2.646 -6.364) 9.796 16.908 ( -4.890 -1.306 11.351) 12.428 17.691 ( -7.099 8.437 -5.291) 12.230 17.859 ( 2.048 9.042 0.671) 9.295 18.398 ( 0.223 7.461 0.403) 7.475 18.747 ( 5.572 -2.436 1.866) 6.361 19.401 ( -6.412 -1.389 2.126) 6.897 19.711 ( 0.828 -11.930 -2.705) 12.261 19.879 ( 5.457 -2.123 -6.222) 8.544 20.343 ( 0.136 -5.039 10.016) 11.213 20.661 ( -2.286 2.972 -2.746) 4.648 21.054 ( 0.206 -6.773 -1.013) 6.852 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -1.932 -4.295 6.195) 7.782 2.668 ( 4.269 12.529 -9.210) 16.125 2.997 ( -7.271 -11.210 1.536) 13.450 3.029 ( 4.019 2.184 0.605) 4.614 3.272 ( 0.965 -10.079 -7.114) 12.374 3.333 ( 3.376 8.627 -0.128) 9.265 3.439 ( 1.540 12.186 2.311) 12.499 3.627 ( 1.223 -3.887 -0.355) 4.090 3.936 ( -4.049 -5.712 -3.394) 7.781 4.004 ( -0.256 -3.492 0.719) 3.575 4.228 ( 1.461 0.794 -5.997) 6.224 4.302 ( 3.198 -5.332 -2.192) 6.593 4.568 ( 1.351 4.680 14.718) 15.503 4.795 ( -12.790 -0.072 -4.069) 13.421 5.160 ( 5.154 -5.238 -3.603) 8.184 5.352 ( -8.961 8.981 6.923) 14.452 5.602 ( 3.019 -11.729 2.716) 12.412 5.620 ( -0.140 6.732 -1.004) 6.808 5.883 ( 10.467 1.933 9.031) 13.959 6.232 ( -4.957 -3.135 -6.437) 8.708 6.374 ( 5.009 8.276 4.001) 10.468 6.450 ( -2.327 0.447 -7.182) 7.562 6.833 ( 2.752 -0.464 2.669) 3.862 7.005 ( 5.409 -3.444 2.595) 6.917 7.212 ( 4.188 1.577 -2.944) 5.356 7.503 ( -1.029 -2.835 -2.667) 4.027 7.687 ( 3.003 5.880 3.301) 7.382 7.940 ( -9.853 -3.297 -0.072) 10.390 8.114 ( 0.387 -1.926 -6.145) 6.451 8.259 ( -3.746 7.940 2.321) 9.081 8.327 ( -0.471 -2.308 -1.840) 2.989 8.388 ( -2.691 -4.461 -4.344) 6.783 8.525 ( -3.808 -1.674 1.442) 4.403 8.672 ( -1.231 -1.870 1.905) 2.939 8.756 ( 3.086 0.561 -4.843) 5.770 8.877 ( -0.277 8.709 6.782) 11.042 8.938 ( 0.236 3.122 5.573) 6.392 9.179 ( 1.282 -1.788 0.673) 2.301 9.617 ( -8.265 0.347 11.374) 14.064 9.750 ( -1.120 3.545 -2.291) 4.367 9.774 ( -5.864 -3.430 -7.434) 10.071 10.093 ( 9.703 -5.670 -4.906) 12.263 10.433 ( 6.626 2.009 0.864) 6.977 10.794 ( 2.004 -1.929 -4.808) 5.554 10.949 ( 2.650 0.321 2.263) 3.499 11.156 ( 3.423 0.795 0.488) 3.548 11.446 ( -7.828 -1.866 -0.191) 8.050 11.674 ( -5.397 2.556 3.414) 6.879 11.738 ( -3.760 9.452 -1.683) 10.311 11.893 ( -6.128 -7.600 4.029) 10.562 12.152 ( 12.597 -1.260 -1.745) 12.780 12.858 ( -1.723 3.479 2.226) 4.475 12.919 ( -4.104 0.325 1.031) 4.244 13.091 ( -0.163 1.714 0.450) 1.779 13.308 ( -2.830 -4.439 -2.596) 5.870 13.438 ( 1.905 -0.614 4.679) 5.089 13.682 ( 8.222 -2.050 -0.352) 8.481 13.892 ( -2.352 2.842 1.123) 3.856 14.035 ( -9.394 -4.261 -4.729) 11.348 14.721 ( 6.824 0.042 4.855) 8.375 15.118 ( -1.595 3.262 -17.277) 17.655 15.596 ( -6.707 -0.276 11.623) 13.422 16.071 ( 11.692 -0.534 -4.937) 12.703 16.693 ( 20.884 1.809 -0.816) 20.978 16.818 ( -4.181 -6.671 5.496) 9.601 17.525 ( -12.126 4.229 -4.347) 13.558 18.080 ( 11.471 3.401 -2.196) 12.165 18.331 ( -11.804 1.810 4.526) 12.770 18.715 ( -1.580 -9.930 0.281) 10.058 19.403 ( 3.439 5.318 -3.290) 7.137 19.603 ( 0.123 -7.508 -7.417) 10.555 19.996 ( 11.119 0.267 -4.190) 11.885 20.264 ( -7.625 -6.002 9.969) 13.912 20.609 ( -5.464 3.298 -2.328) 6.793 21.024 ( -4.142 5.855 4.369) 8.398 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.495 -4.377 11.929) 12.949 2.671 ( -5.616 -6.930 -7.046) 11.367 2.915 ( 6.575 0.331 1.924) 6.859 3.073 ( 5.983 -7.854 -5.115) 11.119 3.249 ( 4.095 -1.437 -1.481) 4.586 3.472 ( 3.476 3.495 0.668) 4.974 3.573 ( 0.128 7.011 2.236) 7.360 3.650 ( 4.003 4.168 -6.171) 8.455 3.791 ( -4.087 -2.212 -4.952) 6.791 3.870 ( -6.574 -14.618 8.209) 18.008 4.218 ( -0.394 -1.490 -5.335) 5.553 4.262 ( -0.444 -4.536 -4.016) 6.075 4.563 ( -9.771 5.832 8.241) 14.050 4.773 ( 2.139 11.733 -0.274) 11.930 5.210 ( 12.307 -11.359 -1.378) 16.804 5.332 ( -7.221 11.086 1.024) 13.270 5.481 ( -11.857 -1.413 -3.862) 12.550 5.633 ( 1.739 -4.192 -0.311) 4.549 6.008 ( 0.419 -4.197 5.030) 6.564 6.204 ( 5.175 8.074 -1.133) 9.657 6.439 ( 2.555 -1.285 -0.286) 2.874 6.566 ( 1.136 8.401 5.449) 10.078 6.865 ( 2.267 -3.059 2.368) 4.484 7.134 ( 7.739 0.189 6.859) 10.343 7.277 ( 5.297 0.180 -10.104) 11.410 7.474 ( 1.214 -3.308 2.974) 4.611 7.693 ( -10.040 0.355 -2.602) 10.378 7.834 ( 3.409 -2.616 5.895) 7.295 8.065 ( -1.151 -3.643 -5.081) 6.357 8.175 ( 0.417 -8.444 -0.719) 8.485 8.228 ( -7.289 4.029 -2.850) 8.802 8.382 ( -0.541 2.439 -10.223) 10.524 8.480 ( -6.762 12.167 4.275) 14.562 8.633 ( -1.520 -1.509 2.680) 3.430 8.721 ( -3.916 -6.942 0.024) 7.971 8.947 ( -1.427 11.336 -3.288) 11.889 9.066 ( 3.327 6.314 6.097) 9.387 9.216 ( 1.342 3.119 5.393) 6.373 9.512 ( -2.592 -8.226 7.171) 11.216 9.616 ( -5.128 -0.800 -7.647) 9.242 9.850 ( 1.703 9.453 3.054) 10.080 10.177 ( 9.759 -5.146 -2.704) 11.359 10.555 ( 4.765 -2.477 3.670) 6.505 10.753 ( -2.543 -0.740 -6.689) 7.195 11.035 ( 5.025 0.730 1.545) 5.308 11.183 ( 2.417 -7.005 0.967) 7.473 11.364 ( -0.172 3.162 -1.653) 3.572 11.604 ( -10.104 0.991 0.267) 10.156 11.638 ( -9.027 -0.985 -1.337) 9.179 11.806 ( -2.817 7.794 -0.465) 8.300 12.388 ( 11.773 5.587 0.860) 13.060 12.739 ( -10.640 -5.591 2.987) 12.385 12.907 ( -5.580 11.353 -2.190) 12.839 13.127 ( 0.072 4.708 -1.163) 4.850 13.266 ( 4.340 -3.472 5.344) 7.710 13.488 ( 3.839 -4.078 4.063) 6.920 13.728 ( -3.788 -9.146 -4.949) 11.068 13.804 ( 5.972 -2.133 -4.212) 7.613 13.995 ( -1.582 6.342 5.494) 8.539 14.755 ( 1.290 -2.461 -5.960) 6.576 15.113 ( -4.927 5.656 -3.401) 8.236 15.532 ( 1.100 -4.286 4.541) 6.341 16.295 ( 14.325 0.065 -9.629) 17.261 16.627 ( -6.518 -14.848 18.002) 24.228 16.960 ( 6.865 -5.188 -12.953) 15.551 17.465 ( 3.632 6.834 2.228) 8.053 18.122 ( -8.224 6.627 -0.123) 10.563 18.305 ( 7.641 -10.421 1.707) 13.035 18.587 ( 0.577 -5.195 0.411) 5.243 19.473 ( 3.251 -9.185 -10.156) 14.074 19.545 ( -0.659 10.089 -1.194) 10.181 20.044 ( -13.294 -4.903 5.475) 15.190 20.171 ( 7.688 -3.235 -3.036) 8.876 20.581 ( -0.053 6.467 0.173) 6.470 21.048 ( -7.259 13.720 5.898) 16.605 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 3.997 2.731 9.127) 10.331 2.468 ( 0.414 -16.763 1.326) 16.821 3.019 ( 0.039 -0.380 0.276) 0.471 3.160 ( 15.868 -4.587 -8.404) 18.532 3.295 ( 3.076 -1.025 -0.508) 3.282 3.388 ( -16.235 -5.661 1.707) 17.278 3.572 ( 0.907 -1.047 6.903) 7.040 3.695 ( 2.098 -12.425 8.291) 15.084 3.747 ( 0.764 8.261 -2.539) 8.676 3.823 ( 4.894 2.774 -5.168) 7.639 4.136 ( -7.394 5.745 -11.886) 15.131 4.217 ( 1.202 0.071 -1.827) 2.187 4.504 ( -8.574 5.326 10.287) 14.412 4.970 ( 10.709 7.257 -9.302) 15.933 5.061 ( -16.486 -2.963 -8.583) 18.821 5.330 ( 7.222 -6.655 -0.831) 9.856 5.476 ( 5.553 7.127 1.350) 9.135 5.627 ( 3.637 -4.114 0.917) 5.567 5.982 ( -6.558 1.650 11.414) 13.267 6.369 ( 2.767 6.781 -5.328) 9.057 6.457 ( 4.153 -5.523 3.316) 7.665 6.593 ( -7.168 4.037 5.659) 9.985 6.899 ( 3.863 -2.245 2.246) 5.001 7.148 ( -3.842 -0.758 -5.711) 6.925 7.355 ( -6.741 -3.809 1.238) 7.841 7.451 ( 1.889 -6.662 2.944) 7.524 7.552 ( 4.910 0.461 -0.055) 4.932 7.928 ( 4.813 0.618 -2.385) 5.407 8.037 ( 3.081 -1.351 -0.569) 3.411 8.079 ( -9.968 7.654 -7.784) 14.783 8.176 ( 3.958 -6.886 4.538) 9.147 8.382 ( 1.579 4.093 -3.829) 5.823 8.525 ( -3.954 8.796 4.422) 10.609 8.535 ( -7.319 -4.591 -1.915) 8.849 8.647 ( 1.926 1.070 2.325) 3.203 8.996 ( -0.941 7.121 -6.469) 9.667 9.216 ( 2.655 9.875 2.625) 10.557 9.308 ( 1.050 4.726 2.213) 5.323 9.417 ( -2.939 -8.021 6.161) 10.533 9.558 ( 2.733 -0.175 -3.730) 4.627 9.920 ( -2.259 3.001 -0.397) 3.777 10.362 ( 12.169 1.637 6.122) 13.720 10.504 ( -5.793 -9.717 6.217) 12.908 10.689 ( -0.921 1.917 -9.531) 9.765 11.053 ( -2.946 -7.852 3.694) 9.164 11.193 ( 3.228 1.856 -0.187) 3.728 11.299 ( -9.681 -7.955 -5.205) 13.569 11.484 ( 5.753 8.028 -1.043) 9.932 11.596 ( -3.765 6.509 -0.926) 7.576 11.861 ( 1.472 5.571 -2.436) 6.256 12.486 ( -10.922 -6.001 0.455) 12.470 12.635 ( 7.920 7.714 0.414) 11.064 12.910 ( -5.308 10.976 -4.015) 12.837 13.167 ( 2.027 1.926 -4.490) 5.289 13.374 ( 2.560 -2.844 12.084) 12.675 13.477 ( 1.612 -8.269 -0.904) 8.473 13.636 ( 2.618 1.079 1.393) 3.156 13.884 ( 7.196 -1.915 -4.147) 8.523 14.067 ( 0.145 6.081 5.863) 8.448 14.672 ( -4.749 -3.377 -8.687) 10.461 14.992 ( -11.662 -3.771 13.549) 18.270 15.561 ( 6.188 -0.435 -13.753) 15.087 16.369 ( 1.264 -5.689 -10.772) 12.247 16.495 ( -2.282 -12.427 19.507) 23.242 16.908 ( 3.584 -4.574 -6.386) 8.635 17.646 ( 3.991 6.217 2.389) 7.765 18.072 ( 0.855 -10.535 -0.405) 10.578 18.282 ( 0.480 5.017 0.218) 5.045 18.673 ( 6.128 0.979 0.949) 6.278 19.381 ( 3.801 -9.847 -9.359) 14.107 19.651 ( 0.088 8.638 3.737) 9.412 19.764 ( -15.435 -3.713 8.885) 18.193 20.156 ( 0.345 -5.815 -8.969) 10.694 20.753 ( 9.864 6.693 -0.889) 11.954 21.082 ( -8.169 14.742 4.978) 17.574 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -8.144 -2.280 -3.234) 9.054 2.471 ( -5.169 10.539 6.026) 13.195 2.861 ( 13.609 -0.693 4.784) 14.442 3.108 ( 2.566 2.907 0.009) 3.877 3.297 ( -1.528 1.293 -1.065) 2.267 3.357 ( -1.926 -4.080 -11.648) 12.491 3.530 ( -11.256 6.022 -6.001) 14.106 3.603 ( 0.737 -0.928 8.382) 8.465 3.796 ( 5.593 -4.495 2.192) 7.503 3.961 ( 3.264 0.074 4.026) 5.183 4.123 ( 8.083 5.241 5.008) 10.857 4.265 ( 4.183 -4.181 -5.305) 7.945 4.592 ( -6.570 -12.313 11.114) 17.841 4.856 ( 2.516 12.154 -1.194) 12.468 5.130 ( 1.753 -8.189 -5.637) 10.095 5.472 ( 6.349 -1.585 -0.704) 6.581 5.576 ( 4.346 1.895 -0.443) 4.762 5.775 ( -17.239 -2.761 -6.436) 18.607 5.865 ( -9.333 -4.381 14.399) 17.710 6.160 ( 8.571 2.614 -10.586) 13.870 6.377 ( 1.299 4.031 0.880) 4.326 6.611 ( -0.545 4.257 -5.756) 7.180 6.886 ( -4.964 2.249 -4.884) 7.317 7.056 ( 6.411 5.962 -2.763) 9.181 7.112 ( -0.503 3.065 2.559) 4.024 7.423 ( -0.672 1.484 2.457) 2.948 7.831 ( -0.926 1.375 1.319) 2.119 7.928 ( -3.123 3.351 1.149) 4.723 8.008 ( 5.123 -11.448 -1.460) 12.627 8.101 ( 1.509 -4.889 6.372) 8.172 8.229 ( 4.255 0.888 7.117) 8.340 8.426 ( 3.190 -5.687 -5.763) 8.702 8.529 ( -1.910 2.388 4.729) 5.632 8.596 ( -9.225 -0.813 2.953) 9.720 8.708 ( 0.913 -1.916 0.321) 2.146 9.020 ( -5.306 1.042 -6.847) 8.725 9.166 ( 2.155 -3.633 -10.037) 10.889 9.237 ( -3.535 5.628 -0.265) 6.651 9.536 ( -4.181 -8.680 9.346) 13.423 9.703 ( -6.146 1.854 2.036) 6.735 9.866 ( 4.414 -2.065 -2.579) 5.514 10.106 ( 6.922 6.112 -9.496) 13.245 10.447 ( -4.436 2.291 -1.001) 5.092 10.724 ( 5.270 1.088 -0.577) 5.412 10.924 ( 2.612 3.084 3.677) 5.464 11.153 ( 3.218 5.128 0.754) 6.101 11.399 ( -3.712 -7.292 5.028) 9.604 11.611 ( -2.710 -3.457 1.690) 4.707 11.742 ( -4.483 -5.891 2.753) 7.898 11.937 ( 3.321 -2.342 0.001) 4.064 12.233 ( 4.519 6.909 -5.694) 10.029 12.847 ( -7.650 -1.581 2.533) 8.212 13.012 ( 5.181 -7.791 -0.858) 9.395 13.086 ( -3.064 5.210 -5.029) 7.863 13.255 ( -1.068 1.705 0.419) 2.055 13.546 ( -1.783 3.802 2.608) 4.943 13.799 ( 6.987 0.190 -9.968) 12.174 13.842 ( -5.031 -12.471 0.548) 13.459 14.035 ( -4.668 -0.062 -0.916) 4.757 14.607 ( 4.788 -0.863 7.304) 8.776 14.802 ( 4.411 7.356 9.759) 12.993 15.902 ( 1.038 8.865 6.202) 10.869 16.003 ( -2.909 -7.984 -17.338) 19.309 16.421 ( 6.317 16.298 10.333) 20.305 17.040 ( 1.755 -2.086 1.733) 3.230 17.514 ( 2.267 -5.078 -7.565) 9.389 18.017 ( -1.859 8.104 2.207) 8.602 18.432 ( -5.665 -7.664 -2.050) 9.748 18.728 ( 3.353 -5.247 -0.180) 6.230 19.391 ( 11.357 1.190 -1.424) 11.508 19.433 ( -1.257 2.259 2.324) 3.476 19.810 ( -1.861 1.098 8.399) 8.672 20.254 ( 1.186 4.835 7.305) 8.840 20.810 ( 1.197 -11.109 -12.794) 16.986 21.107 ( -11.216 0.821 -0.798) 11.274 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -12.195 3.748 1.501) 12.846 2.659 ( 3.597 13.822 2.835) 14.561 3.003 ( 0.928 -0.900 7.967) 8.071 3.160 ( -9.214 1.136 -11.238) 14.577 3.213 ( 5.198 7.453 -9.780) 13.350 3.317 ( 0.318 2.275 2.630) 3.492 3.463 ( -1.589 6.151 -3.266) 7.143 3.691 ( 4.403 -1.384 9.269) 10.355 3.798 ( 2.773 -7.318 0.520) 7.843 4.069 ( 2.002 -0.919 12.160) 12.358 4.204 ( 0.602 7.027 -4.251) 8.235 4.333 ( 1.037 -6.675 -0.268) 6.760 4.397 ( -0.857 -9.567 6.646) 11.681 4.809 ( -6.652 -4.988 -15.831) 17.882 5.176 ( 4.375 -1.642 2.122) 5.132 5.458 ( -1.950 -12.502 2.383) 12.875 5.509 ( 0.384 5.640 -8.884) 10.530 5.688 ( -3.402 5.243 13.252) 14.652 5.877 ( 6.260 2.946 6.237) 9.315 6.173 ( -0.850 -5.190 -9.017) 10.438 6.436 ( -0.711 5.463 -0.534) 5.534 6.591 ( -2.590 3.790 -9.501) 10.552 6.874 ( -0.017 0.739 4.761) 4.818 7.075 ( -5.438 6.272 -1.571) 8.448 7.289 ( 9.380 1.388 -2.408) 9.783 7.443 ( -1.519 5.656 0.476) 5.876 7.762 ( -4.990 -1.377 -1.147) 5.302 7.879 ( -1.999 -3.260 8.187) 9.036 8.008 ( 2.571 -0.845 -2.389) 3.610 8.129 ( 1.850 -1.022 2.869) 3.564 8.250 ( -3.872 1.638 1.358) 4.418 8.350 ( -1.621 -3.677 -8.175) 9.109 8.477 ( 10.481 -11.867 3.420) 16.198 8.654 ( 0.257 3.306 7.348) 8.061 8.717 ( 0.151 0.914 3.554) 3.673 8.898 ( -4.083 -0.890 -12.767) 13.433 9.074 ( -2.105 -6.650 -5.425) 8.836 9.264 ( 2.846 0.083 -1.744) 3.339 9.452 ( -5.645 -2.060 8.980) 10.805 9.670 ( 1.619 0.632 4.105) 4.458 9.835 ( -0.047 -4.421 -8.798) 9.846 10.234 ( 2.790 6.807 -1.859) 7.588 10.482 ( -0.418 6.362 4.224) 7.648 10.810 ( 3.336 -1.323 -1.146) 3.767 10.990 ( -0.612 4.505 0.149) 4.549 11.245 ( -5.091 8.873 1.822) 10.390 11.359 ( 7.538 -3.148 1.189) 8.255 11.440 ( -4.488 -9.163 -2.484) 10.501 11.664 ( -1.048 -3.798 3.230) 5.095 11.912 ( 2.696 -11.889 -0.674) 12.209 12.416 ( 8.770 6.280 -3.994) 11.502 12.672 ( -8.901 -4.489 2.687) 10.325 12.975 ( 3.475 -13.086 -3.074) 13.884 13.056 ( -2.204 2.127 -4.370) 5.337 13.267 ( -0.858 3.258 3.064) 4.554 13.562 ( -3.357 6.165 2.412) 7.423 13.740 ( 0.671 -1.767 2.022) 2.768 13.864 ( 2.967 0.519 -1.821) 3.520 13.945 ( -3.853 -0.933 -0.977) 4.083 14.769 ( 9.240 -0.873 2.499) 9.612 14.932 ( 0.892 5.039 4.083) 6.547 15.778 ( -5.349 -9.646 -6.382) 12.743 16.079 ( 1.122 16.767 -0.818) 16.824 16.699 ( -1.322 9.405 14.457) 17.298 17.031 ( 2.760 1.515 0.988) 3.300 17.434 ( -3.736 -0.592 -13.057) 13.594 18.092 ( 1.240 3.532 1.458) 4.017 18.257 ( -6.357 2.220 -1.457) 6.889 18.688 ( -3.934 -2.578 1.691) 4.998 19.459 ( 3.052 3.303 -3.479) 5.686 19.600 ( 11.978 -6.831 1.276) 13.848 19.888 ( 1.103 3.259 17.320) 17.659 20.349 ( 1.441 4.286 5.267) 6.942 20.581 ( -5.863 -11.044 -14.714) 19.310 20.972 ( 0.175 -7.540 -2.918) 8.087 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -1.356 6.926 4.659) 8.457 2.773 ( -6.419 10.368 -2.165) 12.385 3.013 ( -0.556 3.936 1.644) 4.301 3.081 ( -1.231 2.650 5.986) 6.662 3.323 ( 0.799 9.125 -4.181) 10.069 3.363 ( 1.484 5.515 -6.549) 8.689 3.491 ( -1.294 -0.034 -0.697) 1.470 3.676 ( -1.550 -9.438 1.574) 9.693 3.845 ( 7.023 -6.394 0.494) 9.511 3.980 ( -1.863 -9.962 9.081) 13.608 4.276 ( -0.542 -5.174 -10.070) 11.335 4.330 ( -5.355 10.746 1.541) 12.105 4.343 ( 1.091 1.774 2.781) 3.474 4.693 ( 8.741 -2.640 -4.123) 10.019 5.114 ( 1.370 -10.562 -8.781) 13.803 5.363 ( 3.152 -12.364 2.766) 13.056 5.575 ( -4.370 12.555 -1.051) 13.335 5.757 ( -1.027 3.918 12.988) 13.605 5.953 ( -8.552 -8.068 -4.801) 12.699 6.147 ( 11.390 5.678 3.311) 13.150 6.431 ( -4.801 3.051 0.339) 5.699 6.558 ( -1.140 3.431 -4.932) 6.115 6.853 ( -4.837 0.073 3.687) 6.082 7.019 ( -4.409 1.334 -1.079) 4.731 7.309 ( -3.587 -2.324 -1.196) 4.438 7.493 ( -1.014 5.881 0.388) 5.981 7.649 ( -3.125 -2.371 -5.745) 6.957 7.964 ( 7.848 -2.173 16.025) 17.976 8.062 ( 4.915 5.953 -6.731) 10.242 8.180 ( -0.109 5.520 -5.663) 7.909 8.256 ( 1.723 -3.682 4.078) 5.758 8.302 ( 5.353 -2.357 -3.956) 7.061 8.567 ( 7.369 -6.660 -0.370) 9.940 8.652 ( -1.090 -5.862 0.795) 6.016 8.701 ( -3.438 1.163 -4.204) 5.554 8.816 ( 1.001 -0.076 -3.622) 3.758 8.980 ( -2.741 0.039 0.615) 2.809 9.322 ( 7.937 -9.760 3.546) 13.070 9.342 ( -7.586 3.302 0.313) 8.279 9.765 ( 0.447 0.715 -1.166) 1.439 9.789 ( 4.683 0.606 2.170) 5.197 10.312 ( -3.481 7.047 3.896) 8.773 10.508 ( -4.005 2.660 3.878) 6.177 10.778 ( -2.108 -1.985 -4.555) 5.398 11.008 ( -3.001 1.927 -0.853) 3.667 11.165 ( -5.397 1.742 -1.522) 5.872 11.387 ( 4.109 -0.992 0.635) 4.274 11.493 ( 8.359 -4.635 -4.165) 10.426 11.673 ( 1.207 3.286 1.043) 3.652 11.832 ( 6.130 -15.314 -0.616) 16.507 12.408 ( -9.541 -1.732 1.199) 9.770 12.686 ( 7.409 5.370 -0.941) 9.198 12.882 ( 3.874 -12.045 -4.384) 13.391 13.034 ( -0.507 0.471 -1.203) 1.387 13.316 ( -0.335 4.338 5.301) 6.858 13.557 ( -4.119 3.313 3.612) 6.402 13.742 ( -3.442 1.772 -3.677) 5.339 13.876 ( -0.480 -0.693 0.034) 0.844 13.986 ( 7.607 2.597 8.671) 11.823 14.743 ( -7.335 -3.601 -5.695) 9.960 15.116 ( 14.386 1.624 -0.382) 14.483 15.585 ( -6.062 -6.322 1.387) 8.868 16.189 ( -8.346 17.291 -10.086) 21.688 16.592 ( -11.528 -4.807 10.590) 16.375 17.227 ( -10.761 6.968 3.376) 13.257 17.333 ( 15.741 -1.468 -4.148) 16.345 18.099 ( 8.947 -8.275 -1.259) 12.252 18.269 ( -11.034 13.196 -0.833) 17.221 18.629 ( -2.089 6.796 2.993) 7.714 19.540 ( 5.834 -0.826 -6.942) 9.106 19.657 ( 3.827 -11.103 5.857) 13.123 19.969 ( -3.993 2.296 7.709) 8.980 20.257 ( -6.836 -4.078 -5.301) 9.564 20.544 ( 8.775 0.257 0.086) 8.779 20.935 ( 4.560 -5.473 -1.331) 7.247 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 3.956 2.488 4.404) 6.421 2.727 ( -8.355 11.625 -0.246) 14.318 2.984 ( -2.383 -2.490 -4.840) 5.942 3.186 ( 3.087 0.670 9.157) 9.686 3.323 ( -4.183 0.062 -4.703) 6.295 3.355 ( -5.987 -9.443 3.089) 11.599 3.443 ( -1.189 10.400 2.456) 10.752 3.589 ( 1.380 -5.114 -2.060) 5.684 3.853 ( 8.378 -9.798 -4.443) 13.636 4.001 ( 0.686 -2.933 -3.781) 4.834 4.113 ( 0.638 -2.199 -9.656) 9.924 4.357 ( -6.288 8.730 3.762) 11.398 4.424 ( 3.594 3.864 -1.275) 5.429 4.914 ( 11.782 1.228 3.210) 12.273 5.040 ( 6.091 -8.667 -8.196) 13.394 5.296 ( 2.228 -12.923 2.362) 13.324 5.597 ( -5.722 8.160 -0.085) 9.967 5.701 ( -3.866 -6.191 -2.673) 7.773 5.826 ( -4.505 7.835 14.585) 17.158 6.307 ( -2.279 3.134 1.871) 4.302 6.419 ( 0.216 3.069 1.844) 3.587 6.558 ( -3.378 2.561 -0.290) 4.249 6.791 ( -1.929 2.179 0.035) 2.910 6.958 ( -2.065 -1.425 -0.147) 2.513 7.211 ( -4.308 1.091 -1.289) 4.627 7.502 ( 0.104 -2.574 -1.688) 3.080 7.615 ( 0.477 4.715 -1.823) 5.078 8.060 ( 1.287 -5.169 0.292) 5.335 8.169 ( 1.504 -1.047 -3.354) 3.822 8.211 ( 7.635 -6.790 1.179) 10.285 8.307 ( 0.375 5.850 -1.127) 5.969 8.377 ( 6.737 0.210 -0.941) 6.806 8.515 ( -2.849 -4.825 -3.085) 6.396 8.644 ( 3.437 2.423 -0.682) 4.260 8.683 ( -0.124 0.683 2.018) 2.134 8.815 ( 1.042 -1.300 -2.082) 2.667 8.983 ( -1.973 4.624 6.155) 7.947 9.235 ( -5.441 1.464 2.631) 6.218 9.464 ( 14.114 -4.456 -0.984) 14.833 9.791 ( 3.257 0.874 -0.630) 3.430 9.870 ( -0.590 2.607 1.422) 3.028 10.237 ( -13.577 3.385 4.118) 14.586 10.451 ( -6.416 2.679 4.420) 8.239 10.724 ( 0.911 -0.608 -7.549) 7.628 10.940 ( -3.210 0.347 0.176) 3.233 11.103 ( 0.106 -6.512 -3.349) 7.323 11.487 ( 8.685 -2.330 2.338) 9.291 11.593 ( 4.684 1.723 -0.219) 4.996 11.715 ( 7.548 -2.983 -6.638) 10.484 11.835 ( 0.800 0.192 2.395) 2.533 12.231 ( -10.792 -0.218 2.323) 11.042 12.814 ( 3.668 -0.674 -1.567) 4.045 12.890 ( 5.433 1.184 -1.088) 5.666 13.046 ( 2.250 0.247 -0.259) 2.278 13.355 ( -1.663 2.583 2.219) 3.790 13.519 ( -3.356 -1.185 4.827) 5.997 13.635 ( -5.882 -2.397 -1.692) 6.574 13.909 ( 1.714 3.559 3.867) 5.528 14.214 ( 8.521 1.843 5.694) 10.412 14.518 ( -7.063 -3.360 -7.639) 10.933 15.332 ( 4.129 -2.547 -1.383) 5.044 15.481 ( 1.866 0.158 -2.103) 2.815 16.093 ( -8.424 8.955 -4.750) 13.180 16.392 ( -9.216 -3.861 -3.110) 10.465 17.047 ( -8.444 -4.151 6.755) 11.583 17.607 ( 12.257 -1.456 3.013) 12.706 18.048 ( -13.503 -2.973 -4.172) 14.442 18.304 ( 13.199 2.415 2.154) 13.589 18.726 ( -0.140 6.197 0.884) 6.261 19.472 ( -3.730 -11.455 -3.253) 12.479 19.673 ( 1.743 2.055 1.767) 3.222 19.838 ( -9.353 5.078 -7.587) 13.070 20.229 ( 7.313 -5.923 -1.305) 9.501 20.666 ( 3.588 -0.887 3.371) 5.002 21.027 ( 4.034 6.904 4.615) 9.232 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -1.298 -9.207 3.422) 9.908 2.764 ( -0.483 9.582 2.570) 9.933 2.885 ( -0.273 -10.553 -5.948) 12.117 3.103 ( -6.257 -4.328 -4.948) 9.075 3.169 ( -4.964 -6.241 5.392) 9.627 3.358 ( 2.028 4.260 5.177) 7.004 3.532 ( 2.068 2.062 -5.669) 6.377 3.561 ( 0.577 -1.932 4.145) 4.609 3.862 ( 0.675 -3.920 -6.459) 7.586 3.958 ( 6.759 -5.860 -9.274) 12.885 4.102 ( 0.590 -1.965 -5.524) 5.893 4.318 ( -6.523 3.198 -1.150) 7.355 4.559 ( 8.476 2.088 5.895) 10.534 4.974 ( -5.664 -3.448 3.428) 7.465 5.030 ( 0.502 -3.247 -6.520) 7.301 5.272 ( 9.430 -7.736 -1.522) 12.292 5.646 ( 3.013 8.784 1.303) 9.377 5.701 ( 1.864 3.602 4.608) 6.139 5.892 ( -5.411 9.643 13.822) 17.700 6.327 ( -7.801 -0.937 2.823) 8.349 6.337 ( 1.158 -1.959 1.304) 2.623 6.502 ( -2.461 4.286 -6.609) 8.253 6.831 ( 0.564 1.890 4.329) 4.757 6.926 ( 0.245 -0.079 -0.834) 0.873 7.201 ( -0.014 4.293 -0.781) 4.363 7.460 ( 0.233 -4.709 -1.851) 5.065 7.711 ( 3.174 5.210 3.781) 7.178 8.031 ( 3.350 -3.960 -4.865) 7.111 8.039 ( -5.064 -8.520 -4.278) 10.795 8.232 ( -3.254 -12.858 -0.836) 13.290 8.295 ( 2.672 1.655 -4.815) 5.750 8.409 ( -1.885 3.505 -7.337) 8.346 8.526 ( 3.642 -1.392 4.745) 6.142 8.692 ( -0.096 3.046 -2.468) 3.921 8.776 ( 1.327 10.950 2.276) 11.262 8.870 ( 5.483 -1.818 7.046) 9.111 9.035 ( -1.784 6.224 6.231) 8.986 9.205 ( -1.186 2.143 5.225) 5.770 9.678 ( 10.836 2.996 0.506) 11.254 9.821 ( -5.437 0.292 -2.366) 5.937 9.860 ( 2.121 -1.108 -3.411) 4.167 9.987 ( -16.045 1.340 2.657) 16.319 10.428 ( -1.399 3.848 5.322) 6.715 10.720 ( 2.092 0.092 -7.807) 8.083 10.924 ( 0.472 0.656 -0.088) 0.813 11.047 ( 4.031 -8.387 -0.673) 9.330 11.522 ( -2.325 -4.086 -0.233) 4.707 11.709 ( 6.247 1.560 4.975) 8.137 11.810 ( 2.390 3.957 -9.696) 10.741 11.913 ( 4.562 -1.992 0.948) 5.067 12.078 ( -6.805 8.896 3.908) 11.862 12.838 ( 2.436 -3.827 3.539) 5.754 13.005 ( 1.396 9.164 -2.265) 9.542 13.113 ( 2.247 4.005 1.511) 4.835 13.310 ( -3.601 -3.027 -3.344) 5.771 13.462 ( -3.344 -4.309 9.592) 11.034 13.540 ( 2.137 -5.384 -2.385) 6.264 14.002 ( -1.335 7.037 5.759) 9.191 14.133 ( -9.138 -3.878 -6.489) 11.860 14.597 ( 10.290 1.574 4.243) 11.242 15.149 ( -10.482 0.322 -17.339) 20.264 15.630 ( 9.149 -1.039 4.555) 10.273 16.030 ( -9.405 -2.409 3.626) 10.364 16.343 ( 15.296 1.272 -8.514) 17.552 16.892 ( -7.733 -8.209 9.265) 14.596 17.646 ( -5.984 -7.919 -7.993) 12.743 17.876 ( 7.534 -8.143 2.045) 11.281 18.488 ( 1.484 -1.643 7.003) 7.345 18.692 ( -5.146 -1.330 -2.312) 5.796 19.285 ( 0.080 -9.819 -7.113) 12.125 19.668 ( -7.288 10.865 -5.936) 14.366 19.861 ( 6.916 4.843 -3.624) 9.188 20.284 ( 2.823 -2.354 0.996) 3.808 20.686 ( -1.652 -0.057 2.696) 3.163 21.204 ( -0.311 15.285 7.769) 17.149 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 4.311 -16.305 11.684) 20.517 2.632 ( -2.703 -22.344 -8.151) 23.937 2.868 ( -4.533 11.466 -6.396) 13.890 2.975 ( 0.226 -5.350 5.553) 7.714 3.148 ( 3.690 -2.393 -0.417) 4.418 3.430 ( 2.058 -4.107 6.490) 7.951 3.560 ( 6.126 3.509 -6.300) 9.462 3.607 ( 1.623 -1.453 0.326) 2.203 3.781 ( -0.797 -0.667 -6.377) 6.461 3.976 ( -8.054 -1.699 0.675) 8.259 4.054 ( 10.155 -7.685 -8.908) 15.541 4.207 ( -3.265 -2.705 -3.730) 5.647 4.793 ( 9.546 0.457 12.551) 15.775 4.862 ( -6.677 8.944 -1.906) 11.323 4.911 ( -4.205 -7.083 -3.758) 9.055 5.373 ( 4.693 0.480 -4.951) 6.839 5.702 ( -4.351 8.231 -0.936) 9.357 5.823 ( -17.381 4.171 5.493) 18.699 5.895 ( 9.509 -1.570 7.645) 12.302 6.193 ( 0.684 2.807 -0.457) 2.925 6.418 ( 0.717 3.802 -1.428) 4.124 6.569 ( 7.352 1.655 3.971) 8.518 6.887 ( -0.444 4.756 8.319) 9.592 6.976 ( 7.245 -0.899 1.563) 7.466 7.243 ( -1.096 4.999 -4.805) 7.019 7.421 ( 2.628 -6.215 2.813) 7.310 7.782 ( -0.643 -4.232 1.029) 4.402 7.848 ( -8.511 -2.777 -2.914) 9.414 8.022 ( -2.169 -8.228 -0.473) 8.522 8.053 ( 3.698 -1.760 -6.027) 7.287 8.312 ( 1.419 0.744 -17.137) 17.212 8.407 ( -1.590 5.712 3.536) 6.904 8.559 ( 0.254 -2.132 7.087) 7.405 8.704 ( -0.356 -1.264 -1.290) 1.841 8.828 ( -8.537 10.270 -1.977) 13.500 8.937 ( 4.538 -3.407 -0.975) 5.758 9.142 ( 1.929 11.781 6.479) 13.582 9.296 ( 0.347 5.670 12.923) 14.117 9.630 ( -14.431 -3.523 -1.838) 14.968 9.702 ( -6.461 1.210 -2.807) 7.147 9.919 ( 10.327 7.338 4.257) 13.365 9.944 ( 1.840 -1.000 -1.150) 2.390 10.498 ( 1.814 1.868 4.019) 4.789 10.722 ( 1.203 0.223 -8.114) 8.206 10.962 ( 3.601 -0.096 -1.133) 3.776 11.067 ( 4.753 -4.680 3.434) 7.503 11.429 ( -4.124 0.583 -1.557) 4.447 11.743 ( -9.952 -7.792 -1.697) 12.753 11.766 ( -3.436 2.655 2.826) 5.181 11.855 ( 2.597 2.478 -9.945) 10.573 12.323 ( 8.497 16.404 4.740) 19.073 12.841 ( -2.781 -2.695 4.344) 5.819 13.087 ( -2.576 10.666 -3.786) 11.607 13.140 ( -1.726 -2.735 -3.911) 5.075 13.244 ( 1.488 2.753 5.722) 6.522 13.417 ( 0.379 -7.958 10.381) 13.086 13.576 ( 7.016 -3.428 -0.646) 7.835 13.850 ( -12.469 -1.156 -5.304) 13.599 14.111 ( -1.269 6.630 4.339) 8.024 14.689 ( 0.596 -1.187 -4.785) 4.966 15.061 ( 7.249 3.546 -18.086) 19.804 15.630 ( -10.725 -7.452 13.343) 18.670 16.000 ( 12.693 -2.691 -2.581) 13.230 16.657 ( 7.399 -3.479 -11.523) 14.130 16.674 ( 1.666 -12.318 15.426) 19.811 17.432 ( -0.714 -6.796 -8.004) 10.524 17.961 ( 9.831 -13.563 -1.128) 16.789 18.421 ( -1.048 -9.163 8.350) 12.441 18.549 ( -11.431 5.560 -0.600) 12.726 19.226 ( 7.200 -11.962 -11.135) 17.858 19.668 ( -3.077 12.108 -3.853) 13.074 20.017 ( 5.580 4.863 -6.178) 9.642 20.269 ( -6.399 0.636 8.990) 11.053 20.653 ( -2.911 3.405 -1.362) 4.682 21.361 ( -5.403 19.146 7.389) 21.222 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 13.428 -16.276 23.505) 31.586 2.335 ( -1.518 -18.428 -12.029) 22.059 2.861 ( 4.246 -1.010 -2.829) 5.201 3.013 ( 1.746 1.873 -3.172) 4.076 3.189 ( 5.500 -4.051 -0.597) 6.857 3.448 ( 5.281 -9.665 4.275) 11.814 3.577 ( -1.987 -2.390 3.464) 4.654 3.663 ( -2.646 -2.416 1.625) 3.934 3.739 ( -5.248 -3.909 -6.129) 8.966 3.823 ( 3.030 4.597 -0.193) 5.510 4.134 ( 5.373 -2.487 -5.497) 8.079 4.202 ( 3.742 6.465 -3.377) 8.198 4.734 ( -2.728 -9.939 -8.101) 13.109 4.813 ( -5.076 11.494 -5.047) 13.540 5.050 ( 6.959 -0.950 11.657) 13.610 5.354 ( -12.059 4.176 -8.492) 15.329 5.498 ( -3.672 -0.879 -4.143) 5.605 5.749 ( -6.450 7.711 7.732) 12.682 6.032 ( 4.869 -1.671 8.890) 10.273 6.324 ( 7.254 2.736 1.422) 7.882 6.397 ( -3.040 -2.393 -1.285) 4.076 6.732 ( 3.886 6.382 0.806) 7.516 6.937 ( -5.276 7.762 5.634) 10.946 7.131 ( 2.023 -7.190 8.191) 11.085 7.278 ( 9.623 5.457 -1.750) 11.200 7.424 ( 2.479 -6.679 2.713) 7.623 7.554 ( -11.842 -5.292 -5.314) 14.017 7.796 ( 4.562 -1.381 -2.599) 5.429 7.955 ( -0.257 -5.122 -10.093) 11.321 8.061 ( 2.856 -5.363 1.596) 6.282 8.279 ( -3.601 9.346 -10.085) 14.213 8.434 ( -3.511 3.479 2.132) 5.383 8.572 ( 1.471 -3.037 3.194) 4.647 8.628 ( -4.293 -2.440 6.114) 7.859 8.782 ( -6.716 11.136 -0.247) 13.007 9.001 ( 5.381 2.546 -8.618) 10.474 9.283 ( -4.240 -2.644 0.446) 5.017 9.331 ( 0.107 12.657 1.358) 12.730 9.460 ( -5.765 1.838 6.077) 8.576 9.641 ( -2.761 3.760 5.256) 7.027 9.936 ( 0.432 -4.235 -0.657) 4.308 10.223 ( 11.535 10.325 6.740) 16.884 10.496 ( -2.594 -6.142 4.257) 7.910 10.687 ( -1.330 1.338 -10.977) 11.138 11.006 ( 2.061 -3.196 2.019) 4.306 11.145 ( 4.505 0.914 4.124) 6.176 11.363 ( -7.215 -2.902 -8.197) 11.299 11.509 ( -3.535 0.967 -1.281) 3.882 11.732 ( -4.663 3.801 1.606) 6.226 11.865 ( 1.416 1.105 -7.359) 7.575 12.620 ( 4.840 13.549 1.305) 14.446 12.667 ( -11.690 -2.572 -0.421) 11.977 13.071 ( -1.806 3.422 -5.315) 6.575 13.155 ( -1.435 5.700 0.147) 5.879 13.323 ( 4.951 -7.582 2.565) 9.412 13.375 ( -0.560 -9.271 11.294) 14.622 13.664 ( -4.455 4.173 -1.665) 6.327 13.729 ( 8.332 4.553 1.673) 9.641 14.161 ( -1.335 6.370 1.829) 6.761 14.667 ( -1.014 -0.369 -6.604) 6.691 15.149 ( 1.231 1.603 -5.604) 5.957 15.407 ( -3.651 -11.297 3.628) 12.415 16.209 ( 11.667 -0.296 -6.885) 13.550 16.395 ( -3.984 -20.132 8.287) 22.133 16.803 ( 4.358 -3.528 0.955) 5.688 17.502 ( 13.453 -1.730 -3.311) 13.962 17.848 ( 0.963 -23.806 -2.055) 23.914 18.456 ( 12.511 -10.328 1.890) 16.333 18.497 ( -7.305 18.195 1.938) 19.702 19.159 ( 4.757 -12.951 -9.452) 16.725 19.754 ( -0.573 9.859 3.088) 10.347 20.029 ( -7.421 2.295 -3.272) 8.429 20.155 ( -8.842 1.294 4.208) 9.878 20.695 ( 3.144 6.190 -2.866) 7.511 21.445 ( -10.057 18.781 5.599) 22.028 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 17.666 1.175 -6.566) 18.884 2.558 ( 17.645 -11.568 4.052) 21.485 2.784 ( -15.710 1.134 5.023) 16.533 2.986 ( 8.494 -2.430 0.694) 8.862 3.209 ( 5.716 -1.644 -6.898) 9.109 3.443 ( -5.700 5.824 5.483) 9.822 3.525 ( 11.260 -0.298 -1.690) 11.390 3.604 ( 6.626 -1.134 1.976) 7.006 3.738 ( -0.993 2.165 -0.056) 2.383 3.964 ( 6.902 5.318 5.192) 10.142 3.995 ( -3.052 -5.199 -2.179) 6.411 4.192 ( 0.219 -4.374 -2.368) 4.979 4.706 ( -7.293 -8.033 16.147) 19.453 4.932 ( 5.507 6.595 -8.696) 12.224 4.967 ( -0.750 1.358 -5.749) 5.955 5.322 ( -0.017 0.264 1.946) 1.963 5.637 ( -5.231 -4.155 7.322) 9.912 5.901 ( -12.214 -10.946 -4.231) 16.938 6.009 ( 7.548 6.474 -9.535) 13.777 6.152 ( -5.625 4.805 4.430) 8.623 6.427 ( -5.234 6.691 -2.447) 8.840 6.601 ( 4.974 2.511 -1.247) 5.710 6.945 ( -2.138 2.387 -1.125) 3.396 7.068 ( -2.116 10.482 -12.313) 16.308 7.191 ( -4.522 -1.192 2.893) 5.499 7.444 ( 2.801 1.719 -0.348) 3.305 7.734 ( 10.656 -6.303 7.794) 14.630 7.837 ( 3.387 -7.631 0.987) 8.407 7.951 ( -0.277 -6.337 5.536) 8.419 8.081 ( 3.398 1.441 -4.914) 6.146 8.111 ( 0.793 1.150 12.734) 12.811 8.449 ( -4.210 3.027 -2.748) 5.869 8.592 ( 0.479 2.766 2.538) 3.784 8.693 ( -0.925 -1.731 -0.161) 1.969 8.815 ( -13.115 -1.357 -0.545) 13.196 8.966 ( 5.204 -3.096 -5.792) 8.379 9.208 ( -8.973 5.124 -3.627) 10.951 9.384 ( -7.588 0.570 -0.859) 7.657 9.546 ( -3.798 -9.422 9.644) 14.007 9.717 ( 4.378 -2.001 -3.051) 5.700 9.942 ( -10.464 6.395 0.469) 12.272 10.015 ( 4.748 6.896 -11.563) 14.276 10.532 ( -3.220 1.745 -1.166) 3.844 10.645 ( 2.969 -1.200 2.673) 4.171 10.940 ( 1.693 4.062 2.623) 5.123 11.104 ( 4.131 3.242 -2.601) 5.860 11.416 ( -3.037 -4.786 1.468) 5.855 11.665 ( -1.164 -6.833 8.798) 11.200 11.732 ( -1.956 -3.083 4.909) 6.118 11.841 ( 3.517 -0.919 -3.755) 5.226 12.381 ( -9.609 13.231 -4.171) 16.876 12.867 ( 1.190 -8.433 1.772) 8.699 13.020 ( -7.547 1.558 5.043) 9.210 13.133 ( -0.606 1.250 -2.570) 2.922 13.306 ( -0.737 4.559 -4.671) 6.568 13.539 ( 13.661 -0.193 -1.843) 13.786 13.611 ( -1.400 2.426 -11.290) 11.633 13.812 ( -7.626 -12.716 0.239) 14.830 14.130 ( -4.953 1.094 1.037) 5.177 14.607 ( -1.015 -0.295 6.684) 6.767 14.865 ( 3.341 8.611 13.964) 16.742 15.815 ( 4.225 -13.407 -15.585) 20.988 15.948 ( 6.522 9.503 5.187) 12.639 16.519 ( 3.521 9.077 9.735) 13.768 16.867 ( 10.771 -7.114 -13.919) 18.983 17.330 ( 10.227 -2.183 7.562) 12.905 17.935 ( 15.067 -0.656 2.723) 15.325 18.506 ( 14.112 -7.166 -3.207) 16.149 18.548 ( -15.755 -5.449 -1.478) 16.736 19.154 ( 14.246 0.097 -0.670) 14.262 19.623 ( -11.221 6.463 3.130) 13.322 19.943 ( -5.332 4.241 5.725) 8.899 20.340 ( -3.749 2.991 -1.743) 5.103 20.662 ( -1.507 -6.806 -3.244) 7.689 21.424 ( -19.817 4.696 -2.553) 20.525 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -5.680 0.762 -3.618) 6.777 2.699 ( 13.254 -2.107 -11.469) 17.654 2.810 ( 5.302 4.517 14.053) 15.685 3.095 ( 6.430 -1.641 -3.636) 7.567 3.253 ( 3.206 2.242 -4.297) 5.811 3.439 ( -5.504 8.519 6.104) 11.837 3.609 ( -7.158 2.688 -3.768) 8.524 3.621 ( 2.310 0.482 -0.554) 2.424 3.724 ( 0.315 -3.477 5.603) 6.601 3.941 ( 9.542 -5.938 -2.601) 11.536 4.168 ( 1.718 -4.376 1.973) 5.098 4.212 ( 6.086 -2.577 3.660) 7.555 4.545 ( -11.226 2.771 10.820) 15.836 4.829 ( -5.806 -5.188 -9.406) 12.211 5.188 ( 7.056 10.032 2.509) 12.519 5.313 ( 5.472 -10.521 3.276) 12.303 5.467 ( -7.095 -10.053 -0.324) 12.309 5.653 ( -1.829 0.479 -4.081) 4.498 6.107 ( 2.037 0.700 -10.509) 10.728 6.122 ( -8.638 10.095 9.653) 16.423 6.463 ( 2.314 3.513 -2.776) 5.040 6.653 ( -3.560 3.297 -5.762) 7.533 6.883 ( 0.888 0.573 -0.880) 1.375 7.147 ( -0.459 -2.296 7.332) 7.697 7.233 ( 3.463 13.762 -7.465) 16.035 7.493 ( 2.621 2.066 0.686) 3.407 7.705 ( -1.195 -11.129 -4.090) 11.916 7.883 ( 8.220 -0.703 -0.446) 8.262 7.985 ( 0.273 -1.889 7.808) 8.038 8.087 ( -3.990 -2.807 11.578) 12.564 8.196 ( 7.304 -2.601 -0.471) 7.767 8.352 ( -5.559 0.391 -3.438) 6.548 8.520 ( -13.669 0.818 -2.278) 13.881 8.645 ( 1.176 -2.125 1.045) 2.644 8.729 ( 3.678 -1.532 1.003) 4.108 8.927 ( -5.163 -3.374 -2.252) 6.566 9.092 ( -6.636 4.114 0.444) 7.821 9.291 ( -3.979 1.612 -3.768) 5.712 9.492 ( 2.883 -3.123 7.979) 9.040 9.638 ( -2.611 -5.316 -9.248) 10.982 9.875 ( -6.069 4.528 -0.607) 7.596 10.190 ( 8.017 9.104 -5.305) 13.240 10.563 ( 0.521 5.085 4.204) 6.619 10.695 ( 4.589 -4.913 0.279) 6.729 11.041 ( 2.243 6.328 0.756) 6.756 11.195 ( 6.375 -1.955 -0.882) 6.726 11.345 ( -1.628 0.825 1.522) 2.377 11.558 ( -5.698 -6.138 6.158) 10.395 11.612 ( -5.692 -9.056 2.932) 11.091 11.831 ( -2.570 -2.180 -3.713) 5.014 12.409 ( 0.082 12.168 -2.188) 12.363 12.754 ( -2.229 -12.837 1.688) 13.138 12.884 ( -8.906 -1.105 1.022) 9.032 13.109 ( -2.474 0.996 -0.149) 2.671 13.326 ( -0.884 6.142 -3.985) 7.375 13.595 ( 2.967 1.586 -10.297) 10.833 13.670 ( 3.031 -7.728 3.935) 9.187 13.765 ( 8.197 3.020 1.185) 8.816 14.040 ( -6.230 1.777 -1.710) 6.700 14.666 ( 3.516 -0.181 7.002) 7.837 15.036 ( -1.115 7.378 8.712) 11.471 15.651 ( 1.851 -12.137 -13.167) 18.003 16.177 ( 5.021 10.522 8.418) 14.381 16.765 ( 12.627 2.526 8.211) 15.272 16.875 ( 2.453 -6.329 -10.630) 12.613 17.476 ( 0.943 7.018 -0.118) 7.082 18.117 ( -4.184 -3.016 0.515) 5.184 18.318 ( 5.589 0.567 -0.059) 5.618 18.607 ( 3.650 -2.353 -2.612) 5.067 19.372 ( 11.266 -3.436 5.218) 12.883 19.551 ( -6.878 7.605 -2.168) 10.480 19.961 ( -0.925 0.503 12.680) 12.723 20.255 ( 2.557 -8.473 -9.464) 12.958 20.580 ( -3.363 1.602 -0.484) 3.757 21.107 ( -17.541 0.704 -3.264) 17.856 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -5.850 2.989 2.401) 6.995 2.827 ( 9.520 -4.142 -12.596) 16.323 2.991 ( 3.759 4.210 10.444) 11.871 3.156 ( -1.523 5.133 -0.104) 5.355 3.300 ( 0.971 2.960 -3.702) 4.838 3.450 ( -5.078 4.389 4.253) 7.946 3.543 ( 0.007 -2.628 -1.555) 3.053 3.670 ( -2.515 2.930 3.638) 5.305 3.677 ( 4.206 -1.682 -1.314) 4.716 4.000 ( -8.944 -13.410 5.138) 16.918 4.118 ( 14.743 -6.473 -6.871) 17.506 4.245 ( 0.475 -1.403 0.715) 1.645 4.508 ( 1.733 -0.815 -2.068) 2.819 4.685 ( -9.592 12.728 1.108) 15.976 5.058 ( -8.760 -8.266 0.743) 12.067 5.242 ( -2.557 -9.188 0.765) 9.567 5.622 ( 9.212 9.760 -3.021) 13.757 5.775 ( 12.627 0.037 4.486) 13.400 5.975 ( -8.164 -6.697 -9.522) 14.219 6.163 ( -2.247 10.724 11.940) 16.205 6.500 ( -1.040 0.802 0.065) 1.315 6.579 ( -0.896 2.385 -8.266) 8.650 6.955 ( 0.424 2.996 3.509) 4.633 7.070 ( -4.589 -5.457 2.133) 7.442 7.361 ( -0.604 6.448 -1.126) 6.574 7.544 ( -0.811 -0.854 -1.048) 1.577 7.637 ( 3.748 -1.625 -3.618) 5.457 7.871 ( -3.469 -6.046 2.415) 7.377 7.985 ( 2.547 -2.133 3.199) 4.612 8.118 ( 5.480 -4.056 0.380) 6.828 8.271 ( -3.204 4.422 2.186) 5.882 8.311 ( -0.387 4.169 -1.260) 4.372 8.389 ( 4.565 0.771 -3.254) 5.659 8.642 ( -0.095 -3.444 1.818) 3.896 8.691 ( -1.158 -7.885 -6.542) 10.311 8.841 ( -2.157 3.320 4.276) 5.827 9.075 ( -2.834 6.241 2.929) 7.454 9.215 ( -3.329 -0.508 -3.072) 4.559 9.462 ( -5.614 -3.759 -0.980) 6.827 9.676 ( 10.156 0.467 3.014) 10.604 9.819 ( -3.553 4.311 -0.991) 5.674 10.377 ( 4.510 8.842 -3.395) 10.491 10.593 ( -3.615 -2.514 10.042) 10.965 10.705 ( 4.177 -3.991 -8.028) 9.891 11.106 ( -3.044 5.372 0.515) 6.196 11.246 ( 5.454 -7.513 0.077) 9.285 11.362 ( -12.188 -5.491 0.272) 13.370 11.372 ( -0.381 4.289 -0.217) 4.312 11.561 ( 9.572 -7.123 0.964) 11.970 11.742 ( -3.516 3.920 -0.703) 5.313 12.524 ( -2.142 4.552 -0.716) 5.082 12.642 ( 4.618 -6.243 1.645) 7.938 12.729 ( -5.005 -1.695 -1.316) 5.445 13.084 ( -2.923 2.895 0.308) 4.126 13.380 ( 0.926 5.232 2.162) 5.736 13.611 ( 0.932 -1.173 -2.824) 3.197 13.695 ( 3.001 -3.206 -1.668) 4.697 13.915 ( 4.767 3.647 4.097) 7.267 13.970 ( -3.327 3.363 -1.709) 5.029 14.725 ( 1.668 -5.731 2.573) 6.500 15.028 ( -1.480 1.302 -4.543) 4.952 15.574 ( 0.698 -4.731 2.221) 5.273 16.368 ( 0.878 9.272 1.611) 9.452 16.726 ( -5.381 -11.484 -2.977) 13.027 17.030 ( 12.977 -0.763 0.736) 13.020 17.471 ( -8.852 6.348 0.430) 10.901 17.978 ( -1.387 1.571 0.039) 2.096 18.530 ( -5.054 -9.508 -0.964) 10.811 18.574 ( 8.590 9.959 0.878) 13.181 19.490 ( -3.427 3.851 -5.401) 7.466 19.527 ( 6.559 -2.859 5.861) 9.249 19.924 ( 2.208 -11.248 -0.041) 11.463 20.288 ( 6.358 -3.283 -1.159) 7.249 20.551 ( -8.259 9.555 0.851) 12.659 20.896 ( -2.953 1.851 -0.117) 3.487 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -0.945 1.311 5.043) 5.296 2.848 ( 2.380 -4.704 -4.104) 6.681 3.018 ( -8.470 -2.687 -4.048) 9.765 3.199 ( 5.122 2.223 8.418) 10.101 3.296 ( 1.123 -8.664 -3.147) 9.286 3.391 ( -4.088 -1.914 7.610) 8.848 3.483 ( -4.174 2.012 -4.769) 6.649 3.586 ( -4.291 -7.187 -1.945) 8.593 3.745 ( 0.242 9.111 4.926) 10.360 3.949 ( 2.643 1.184 -2.036) 3.540 4.052 ( -2.490 -6.107 -11.582) 13.328 4.279 ( 9.000 -7.518 -1.048) 11.773 4.637 ( 9.421 2.646 1.742) 9.940 4.696 ( -9.295 6.547 -2.389) 11.618 4.889 ( 0.851 2.956 -2.153) 3.754 5.201 ( 2.826 -6.912 10.002) 12.482 5.655 ( -7.319 -10.897 -12.209) 17.927 5.764 ( -0.046 9.172 -3.795) 9.927 5.999 ( 1.914 6.121 13.325) 14.788 6.364 ( 5.844 9.775 2.954) 11.766 6.427 ( -5.545 -4.004 0.234) 6.843 6.620 ( 3.630 2.033 3.648) 5.533 6.886 ( -8.278 -0.838 4.810) 9.611 7.008 ( -1.873 1.653 -4.042) 4.752 7.327 ( -5.925 3.699 1.066) 7.066 7.533 ( -8.278 -1.683 0.419) 8.458 7.570 ( 5.642 -1.755 -4.415) 7.376 7.905 ( 7.291 -10.135 -8.700) 15.218 8.010 ( 5.536 -6.580 10.974) 13.941 8.133 ( 3.312 -0.707 -5.632) 6.572 8.206 ( -0.982 -5.756 0.425) 5.854 8.398 ( 1.048 8.482 -1.661) 8.707 8.537 ( -1.139 -0.649 -0.095) 1.314 8.617 ( 6.380 9.829 -3.344) 12.186 8.649 ( 1.792 -1.877 1.844) 3.183 8.864 ( -2.359 3.682 0.776) 4.441 9.122 ( -3.544 6.977 7.661) 10.951 9.196 ( 6.680 -3.446 1.223) 7.615 9.329 ( -3.773 -2.984 -1.847) 5.153 9.797 ( 1.038 5.510 -1.147) 5.723 9.898 ( 3.896 4.240 3.873) 6.940 10.464 ( -4.357 6.834 -1.874) 8.318 10.511 ( -0.782 -7.872 5.111) 9.418 10.674 ( 0.204 -2.735 -7.527) 8.011 11.037 ( -6.521 0.473 1.966) 6.827 11.090 ( -9.754 -7.650 2.350) 12.617 11.316 ( 7.675 -1.185 -3.916) 8.697 11.484 ( 7.574 4.793 -0.773) 8.997 11.577 ( 2.951 -5.073 -2.322) 6.312 11.855 ( 3.210 7.901 0.945) 8.581 12.426 ( -9.807 1.858 2.490) 10.287 12.655 ( 7.647 -6.549 -1.490) 10.178 12.835 ( 6.643 8.527 0.786) 10.838 13.066 ( -2.357 3.333 -0.532) 4.117 13.437 ( -2.366 2.791 4.374) 5.703 13.569 ( -2.711 -3.575 1.494) 4.729 13.662 ( -1.529 -4.345 -2.722) 5.351 13.944 ( -0.736 4.098 -0.586) 4.205 14.099 ( 8.983 2.819 3.696) 10.114 14.585 ( -7.439 -4.919 -5.930) 10.709 15.112 ( 12.267 -2.989 -1.760) 12.748 15.546 ( -4.602 0.506 5.213) 6.972 16.310 ( -11.306 4.224 -16.888) 20.758 16.505 ( -7.908 -11.015 8.971) 16.259 17.103 ( -1.309 -2.711 -5.767) 6.505 17.436 ( 3.712 -5.459 11.811) 13.531 18.103 ( 2.513 3.985 -2.463) 5.316 18.252 ( -7.583 -8.036 1.320) 11.127 18.728 ( 2.889 -2.449 -0.676) 3.847 19.426 ( -3.234 1.002 -11.336) 11.831 19.632 ( 4.576 0.862 7.944) 9.209 19.942 ( 10.205 -4.537 -4.423) 12.012 20.200 ( -14.427 7.494 -7.212) 17.785 20.572 ( 5.542 -2.213 5.862) 8.365 21.060 ( 7.253 13.674 5.939) 16.579 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -4.203 -9.263 3.324) 10.701 2.675 ( -3.808 -21.444 -7.792) 23.132 2.871 ( -1.458 -0.917 1.969) 2.616 3.209 ( -0.527 -5.105 1.905) 5.474 3.252 ( -7.451 -6.101 -0.247) 9.633 3.353 ( 3.306 4.607 -1.327) 5.823 3.435 ( 0.848 -2.714 -0.685) 2.925 3.511 ( -1.878 -4.034 3.967) 5.961 3.787 ( -3.057 -6.634 -11.673) 13.770 3.889 ( 0.434 11.426 4.768) 12.389 4.087 ( 2.604 1.449 -6.357) 7.021 4.341 ( 4.838 -11.625 4.767) 13.464 4.502 ( -3.827 -0.959 -6.488) 7.593 4.852 ( 10.385 3.520 -2.171) 11.179 5.031 ( 1.378 10.394 -1.233) 10.557 5.209 ( -2.102 -2.487 7.997) 8.634 5.527 ( 6.831 -2.000 -2.474) 7.536 5.820 ( -1.945 9.259 -3.615) 10.128 6.115 ( -2.613 3.497 13.804) 14.478 6.277 ( -1.863 -6.069 0.408) 6.361 6.482 ( 0.444 5.621 -3.563) 6.670 6.638 ( -13.049 2.166 10.868) 17.120 6.827 ( 2.516 -0.512 2.238) 3.406 6.991 ( -2.134 6.845 -2.920) 7.742 7.294 ( -4.453 6.390 1.717) 7.976 7.408 ( -2.068 -5.752 -0.248) 6.118 7.658 ( 7.138 0.278 -3.505) 7.957 7.846 ( 5.246 -10.723 -5.856) 13.296 8.020 ( -5.063 -7.280 0.633) 8.890 8.065 ( 5.774 -8.155 -2.311) 10.256 8.291 ( 6.933 -3.196 -3.769) 8.514 8.420 ( -5.100 8.519 -5.069) 11.148 8.522 ( -0.182 3.439 2.178) 4.075 8.716 ( 6.235 -4.539 8.308) 11.336 8.818 ( -3.325 7.321 -2.243) 8.348 8.857 ( 3.612 10.181 0.055) 10.803 9.147 ( -0.844 0.440 11.411) 11.451 9.226 ( -0.504 -0.764 -0.219) 0.941 9.448 ( 13.608 4.148 1.126) 14.271 9.858 ( 0.022 2.010 -3.247) 3.819 9.954 ( -3.760 7.549 2.420) 8.774 10.295 ( -14.982 -0.208 1.902) 15.104 10.518 ( 1.171 -0.560 3.984) 4.190 10.652 ( 2.884 1.555 -9.436) 9.989 10.907 ( -3.485 -4.129 2.778) 6.076 10.984 ( -2.703 0.368 2.392) 3.629 11.413 ( 7.133 -4.769 -2.804) 9.028 11.607 ( 6.107 0.633 -3.972) 7.312 11.691 ( 8.314 5.009 0.398) 9.714 11.909 ( -0.927 -0.902 -2.011) 2.391 12.321 ( -7.833 9.349 3.169) 12.602 12.755 ( 5.720 -1.484 2.750) 6.518 13.028 ( 4.880 8.019 -0.854) 9.426 13.098 ( 3.141 3.646 1.772) 5.128 13.362 ( -6.804 -2.626 -2.185) 7.613 13.486 ( -2.722 -3.872 -4.490) 6.524 13.524 ( -5.071 -7.087 8.013) 11.839 14.051 ( 5.151 5.939 1.082) 7.936 14.216 ( -1.824 0.235 -1.828) 2.593 14.490 ( 3.227 3.198 1.008) 4.654 15.273 ( 2.832 -4.156 -0.184) 5.033 15.438 ( -1.984 -0.042 -10.028) 10.222 16.138 ( -0.856 -2.255 0.232) 2.423 16.252 ( -11.516 -6.734 -2.823) 13.635 16.989 ( -6.749 -3.584 1.902) 7.875 17.500 ( 6.419 -12.743 6.125) 15.527 17.769 ( -10.291 -18.302 -5.147) 21.619 18.422 ( 5.828 0.654 8.140) 10.033 18.651 ( 2.503 -11.062 -2.123) 11.539 19.283 ( -8.272 0.974 -15.318) 17.436 19.796 ( 6.613 6.107 3.435) 9.635 19.959 ( -12.820 12.630 -7.699) 19.574 20.158 ( 9.190 2.441 -2.495) 9.830 20.676 ( 4.379 -0.809 4.989) 6.687 21.367 ( 5.223 18.463 7.765) 20.699 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -3.656 -21.941 2.355) 22.368 2.366 ( -0.916 -29.536 -4.423) 29.879 2.873 ( 3.885 -5.624 -5.221) 8.601 3.038 ( -3.799 -11.160 -0.116) 11.789 3.176 ( -6.526 3.823 5.793) 9.527 3.384 ( -0.204 -2.832 -10.339) 10.722 3.421 ( 6.298 -10.713 0.624) 12.443 3.512 ( 3.481 7.453 -3.022) 8.764 3.678 ( -0.082 -4.191 -2.674) 4.972 3.997 ( -1.238 8.100 2.134) 8.467 4.024 ( -2.797 -9.045 -3.340) 10.039 4.237 ( -3.343 -1.382 1.920) 4.096 4.642 ( 10.896 2.023 7.957) 13.643 4.963 ( -0.410 3.105 -1.728) 3.577 5.035 ( -6.198 7.495 -6.142) 11.503 5.295 ( 6.002 5.988 2.342) 8.796 5.705 ( 9.900 -0.111 0.182) 9.903 5.834 ( -2.766 2.717 0.166) 3.880 6.047 ( -4.483 -3.192 3.871) 6.728 6.297 ( -2.420 0.766 -1.258) 2.833 6.477 ( -1.239 -1.150 -0.447) 1.748 6.520 ( -5.355 11.920 9.304) 16.042 6.873 ( 2.695 -0.821 6.023) 6.649 7.045 ( -1.967 9.294 2.742) 9.888 7.285 ( 1.674 -9.508 5.623) 11.172 7.342 ( -2.904 4.378 -2.731) 5.921 7.729 ( 3.723 -1.864 -12.631) 13.299 7.819 ( 0.345 -8.005 -2.752) 8.472 7.907 ( 2.902 -4.909 5.315) 7.795 8.119 ( 6.319 1.161 -6.302) 9.000 8.173 ( -8.491 -2.724 -9.308) 12.890 8.480 ( 0.408 6.816 -0.233) 6.832 8.573 ( 1.207 2.638 2.068) 3.562 8.767 ( -4.880 2.595 3.618) 6.606 8.788 ( 4.619 -7.532 3.219) 9.403 9.016 ( -1.585 9.143 -1.943) 9.480 9.239 ( 1.309 7.560 7.786) 10.931 9.274 ( 9.853 -3.670 8.078) 13.259 9.688 ( 5.579 0.457 -1.060) 5.697 9.787 ( -4.018 0.621 -4.508) 6.070 9.929 ( -9.792 3.941 -0.973) 10.600 10.111 ( -7.312 10.946 5.933) 14.439 10.560 ( -0.589 3.665 5.821) 6.904 10.686 ( 0.268 4.317 -8.917) 9.910 10.888 ( 3.070 -2.463 1.970) 4.402 10.996 ( 2.088 1.625 3.425) 4.328 11.437 ( 2.324 -3.817 -0.529) 4.501 11.716 ( 6.883 0.484 -7.674) 10.320 11.784 ( -4.560 -6.003 -2.670) 7.998 11.835 ( 0.184 2.233 -1.458) 2.674 12.420 ( 2.333 15.342 4.336) 16.113 12.831 ( 2.930 0.291 4.384) 5.281 13.131 ( -4.485 -6.583 -3.230) 8.596 13.138 ( 1.251 1.377 -0.969) 2.098 13.254 ( 4.979 -1.176 1.379) 5.298 13.355 ( -3.598 -3.077 -0.338) 4.747 13.536 ( 2.676 3.476 7.315) 8.530 14.091 ( -10.535 5.798 -0.485) 12.035 14.194 ( -0.098 7.061 1.594) 7.239 14.649 ( 5.706 2.537 0.496) 6.264 15.005 ( -11.852 0.102 -19.052) 22.438 15.560 ( 13.706 -9.821 1.558) 16.933 15.932 ( -10.369 -8.206 1.016) 13.262 16.335 ( 17.323 0.327 2.075) 17.450 16.776 ( -14.309 -8.307 6.258) 17.690 17.300 ( -2.711 -16.299 -11.747) 20.273 17.643 ( 9.527 -15.928 2.952) 18.793 18.277 ( -3.206 -23.668 5.879) 24.597 18.770 ( 7.398 2.098 6.759) 10.238 19.054 ( -10.667 2.022 -19.313) 22.156 19.872 ( -7.337 13.381 -6.295) 16.507 19.976 ( 4.346 6.897 0.597) 8.174 20.337 ( 4.900 6.068 1.770) 7.997 20.720 ( -1.198 1.306 1.260) 2.174 21.641 ( -0.050 20.659 6.598) 21.687 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 14.687 -24.830 13.190) 31.721 2.013 ( 0.292 -33.037 -5.280) 33.458 2.792 ( 11.235 -22.299 -16.492) 29.924 2.944 ( -4.377 0.982 1.622) 4.770 3.137 ( -2.406 1.842 4.019) 5.033 3.276 ( 0.793 -8.027 -1.960) 8.300 3.513 ( 11.693 -6.335 -6.012) 14.595 3.627 ( 2.253 5.332 -4.727) 7.473 3.668 ( 0.358 -1.892 6.367) 6.652 3.854 ( -5.204 -4.171 -0.042) 6.669 4.086 ( 1.204 3.601 2.854) 4.750 4.204 ( -1.493 4.887 1.418) 5.303 4.752 ( -5.184 4.638 -6.073) 9.234 4.986 ( -1.159 4.823 -0.380) 4.975 5.061 ( 1.870 7.331 6.602) 10.041 5.389 ( -0.499 3.096 -2.502) 4.012 5.686 ( -8.229 -0.712 -8.037) 11.525 5.872 ( -1.301 -3.444 10.390) 11.023 5.956 ( 1.542 -0.041 0.547) 1.637 6.283 ( 1.239 5.722 -2.022) 6.194 6.424 ( -2.579 -5.896 1.366) 6.578 6.715 ( 6.636 11.294 4.928) 13.995 6.986 ( 6.890 -0.683 4.672) 8.353 7.099 ( -2.557 5.478 7.908) 9.954 7.231 ( 5.199 -13.667 6.277) 15.913 7.356 ( -2.557 5.047 -3.739) 6.782 7.644 ( -3.906 2.066 -7.617) 8.806 7.765 ( 1.186 -3.120 -9.150) 9.740 7.915 ( -11.525 -3.014 -7.598) 14.129 7.974 ( 4.660 -3.164 5.506) 7.877 8.258 ( 7.504 5.308 -10.495) 13.951 8.511 ( -0.809 1.597 1.530) 2.355 8.613 ( -4.523 2.980 6.506) 8.466 8.710 ( -3.766 1.195 -0.147) 3.954 8.834 ( 8.375 -2.719 1.198) 8.886 8.964 ( -6.970 1.178 -1.032) 7.144 9.372 ( 0.313 5.392 0.738) 5.451 9.485 ( 3.322 3.133 9.917) 10.918 9.530 ( -5.209 -2.544 -8.368) 10.180 9.720 ( -4.839 6.778 -6.247) 10.411 9.924 ( -0.842 -1.757 15.373) 15.496 10.251 ( 3.148 16.770 3.059) 17.335 10.570 ( -6.001 2.402 4.830) 8.070 10.670 ( -0.443 2.037 -9.880) 10.098 10.955 ( 3.621 1.182 1.588) 4.127 11.095 ( 4.611 2.010 4.120) 6.502 11.426 ( -3.107 0.028 -2.792) 4.178 11.572 ( -7.258 -5.604 -2.925) 9.625 11.762 ( 2.922 -2.919 -5.468) 6.853 11.838 ( -1.157 3.788 -4.116) 5.712 12.652 ( 5.595 9.708 1.299) 11.280 12.826 ( -5.649 0.848 -2.264) 6.145 13.017 ( 1.915 -5.198 0.085) 5.540 13.156 ( 2.363 -7.114 3.163) 8.136 13.248 ( 0.966 -8.960 5.542) 10.580 13.374 ( -1.590 9.599 -0.801) 9.762 13.656 ( 1.264 -0.169 2.582) 2.880 13.970 ( -12.395 17.899 3.670) 22.079 14.241 ( -0.910 6.352 -2.447) 6.868 14.663 ( -0.296 2.419 -2.995) 3.862 14.967 ( 9.338 2.699 -16.207) 18.899 15.470 ( -9.628 -18.609 10.235) 23.318 15.914 ( 14.078 -4.560 -2.550) 15.016 16.414 ( -14.155 -14.182 5.231) 20.709 16.635 ( 12.976 -1.269 3.347) 13.461 17.203 ( 11.369 -7.404 -8.861) 16.205 17.589 ( 2.181 -21.328 -2.446) 21.578 18.084 ( 9.392 -23.863 3.155) 25.838 18.846 ( -8.335 9.861 -19.828) 23.661 18.910 ( 3.884 -4.097 14.693) 15.740 19.900 ( -2.946 12.202 -1.867) 12.690 20.086 ( 0.796 6.072 -0.691) 6.163 20.395 ( -7.914 3.519 7.032) 11.156 20.711 ( 0.035 4.517 -5.489) 7.108 21.809 ( -6.738 19.729 4.156) 21.258 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 0.000 37.812) 37.812 0.981 ( -0.000 0.000 37.812) 37.812 1.819 ( -0.000 0.000 71.714) 71.714 2.685 ( 0.000 -0.000 -14.181) 14.181 2.685 ( 0.000 -0.000 -14.181) 14.181 3.467 ( 0.000 -0.000 -1.734) 1.734 3.649 ( -0.000 0.000 2.260) 2.260 3.715 ( 0.000 -0.000 -0.778) 0.778 3.715 ( 0.000 -0.000 -0.778) 0.778 3.908 ( 0.000 -0.000 -2.499) 2.499 3.908 ( 0.000 -0.000 -2.499) 2.499 4.707 ( 0.000 -0.000 -4.568) 4.568 4.707 ( 0.000 -0.000 -4.568) 4.568 5.062 ( 0.000 -0.000 -7.123) 7.123 5.355 ( 0.000 -0.000 -2.265) 2.265 5.403 ( 0.000 -0.000 -2.292) 2.292 5.403 ( 0.000 -0.000 -2.292) 2.292 6.070 ( -0.000 0.000 0.754) 0.754 6.070 ( -0.000 0.000 0.754) 0.754 6.133 ( 0.000 -0.000 -37.238) 37.238 6.482 ( -0.000 0.000 9.831) 9.831 6.482 ( -0.000 0.000 9.831) 9.831 6.568 ( 0.000 -0.000 -4.981) 4.981 7.165 ( 0.000 -0.000 -3.513) 3.513 7.165 ( 0.000 -0.000 -3.513) 3.513 7.313 ( -0.000 0.000 5.555) 5.555 7.699 ( -0.000 0.000 1.334) 1.334 8.153 ( 0.000 -0.000 -5.504) 5.504 8.153 ( 0.000 -0.000 -5.504) 5.504 8.157 ( -0.000 0.000 2.123) 2.123 8.286 ( -0.000 0.000 8.590) 8.590 8.382 ( 0.000 -0.000 -1.361) 1.361 8.382 ( 0.000 -0.000 -1.361) 1.361 8.875 ( -0.000 0.000 0.758) 0.758 9.109 ( -0.000 0.000 12.376) 12.376 9.109 ( -0.000 0.000 12.376) 12.376 9.191 ( -0.000 0.000 5.333) 5.333 9.191 ( -0.000 0.000 5.333) 5.333 9.250 ( -0.000 0.000 9.960) 9.960 10.127 ( -0.000 0.000 3.426) 3.426 10.127 ( -0.000 0.000 3.426) 3.426 10.640 ( 0.000 -0.000 -21.300) 21.300 10.686 ( 0.000 -0.000 -8.598) 8.598 10.686 ( 0.000 -0.000 -8.598) 8.598 10.808 ( 0.000 -0.000 -10.870) 10.870 10.808 ( 0.000 -0.000 -10.870) 10.870 11.487 ( 0.000 -0.000 -0.789) 0.789 11.632 ( -0.000 0.000 6.544) 6.544 11.632 ( -0.000 0.000 6.544) 6.544 11.921 ( -0.000 0.000 18.548) 18.548 12.750 ( -0.000 0.000 3.346) 3.346 12.750 ( -0.000 0.000 3.346) 3.346 12.839 ( -0.000 0.000 7.234) 7.234 12.978 ( -0.000 0.000 0.975) 0.975 13.354 ( -0.000 0.000 0.363) 0.363 13.354 ( -0.000 0.000 0.363) 0.363 13.782 ( -0.000 0.000 0.992) 0.992 14.475 ( 0.000 -0.000 -13.860) 13.860 14.598 ( 0.000 -0.000 -1.560) 1.560 14.980 ( -0.000 0.000 1.423) 1.423 14.980 ( -0.000 0.000 1.423) 1.423 15.507 ( 0.000 -0.000 -5.800) 5.800 15.507 ( 0.000 -0.000 -5.800) 5.800 16.573 ( -0.000 0.000 0.203) 0.203 16.718 ( 0.000 -0.000 -0.165) 0.165 16.718 ( 0.000 -0.000 -0.165) 0.165 16.913 ( -0.000 0.000 0.372) 0.372 16.913 ( -0.000 0.000 0.372) 0.372 17.965 ( -0.000 0.000 5.593) 5.593 20.180 ( -0.000 0.000 1.349) 1.349 20.180 ( -0.000 0.000 1.349) 1.349 20.605 ( 0.000 -0.000 -0.783) 0.783 20.605 ( 0.000 -0.000 -0.783) 0.783 21.044 ( 0.000 -0.000 -4.960) 4.960 22.539 ( -0.000 0.000 3.272) 3.272 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -4.427 13.898 33.875) 36.882 1.369 ( 21.294 1.752 29.377) 36.325 2.438 ( 21.699 12.287 49.505) 55.431 2.626 ( 5.332 -1.292 -12.266) 13.437 2.723 ( 5.638 6.533 -14.659) 17.011 3.391 ( -4.038 -4.778 -2.037) 6.579 3.560 ( -5.923 -5.142 3.494) 8.587 3.662 ( -3.690 -2.142 2.287) 4.841 3.779 ( 0.917 4.047 0.503) 4.180 3.861 ( -0.664 5.637 -2.685) 6.279 3.991 ( 4.685 -0.242 -1.196) 4.841 4.474 ( -7.099 -3.457 -4.342) 9.011 4.841 ( 6.201 -10.617 -0.225) 12.298 5.012 ( -1.868 7.179 -11.736) 13.884 5.260 ( -7.849 -0.226 -1.580) 8.010 5.393 ( -0.624 2.431 -4.196) 4.890 5.479 ( 7.733 -0.131 -2.253) 8.055 5.927 ( -6.874 -0.786 -7.851) 10.464 6.022 ( 3.384 -3.283 -16.080) 16.757 6.187 ( 4.481 4.081 -8.604) 10.524 6.256 ( -12.044 -5.766 10.131) 16.761 6.617 ( 4.552 -1.220 2.156) 5.182 6.710 ( 7.641 5.514 2.442) 9.734 7.130 ( 1.484 3.550 -2.859) 4.794 7.286 ( 6.102 1.831 -1.709) 6.596 7.313 ( -2.105 -0.919 2.038) 3.070 7.722 ( 1.804 -0.663 -3.339) 3.853 7.938 ( -9.714 -2.848 0.480) 10.134 7.997 ( -12.183 -3.772 7.845) 14.973 8.188 ( 2.213 -3.334 -0.713) 4.065 8.266 ( -0.929 -5.512 -0.015) 5.590 8.449 ( -2.364 8.664 2.241) 9.256 8.514 ( 11.725 -2.061 -7.903) 14.289 8.695 ( -6.662 -3.369 -1.333) 7.583 8.980 ( -4.899 -8.483 5.886) 11.429 9.177 ( -8.250 9.469 6.975) 14.365 9.213 ( 8.633 -9.703 3.135) 13.360 9.349 ( -0.242 9.120 8.326) 12.351 9.490 ( 12.608 -0.175 8.889) 15.428 10.020 ( -10.527 -4.743 4.646) 12.446 10.103 ( -3.925 0.820 0.362) 4.026 10.467 ( -3.941 -8.716 -12.506) 15.745 10.593 ( -4.412 2.650 -16.710) 17.485 10.707 ( 6.073 -5.460 -7.505) 11.091 10.769 ( -1.628 9.426 -8.977) 13.118 10.935 ( 7.320 3.188 -8.626) 11.753 11.510 ( 1.910 3.187 -1.386) 3.966 11.638 ( -1.454 0.438 6.093) 6.280 11.710 ( 4.163 -0.756 5.097) 6.624 11.999 ( 0.568 -2.103 15.227) 15.382 12.662 ( -1.551 -5.908 5.118) 7.969 12.827 ( 0.744 6.236 1.527) 6.464 12.924 ( 3.965 2.001 1.682) 4.749 12.976 ( -2.417 1.660 5.966) 6.648 13.276 ( -5.045 -5.722 -0.571) 7.650 13.405 ( 4.711 1.377 -1.251) 5.065 13.750 ( -3.162 -2.164 1.278) 4.039 14.377 ( -3.824 -2.820 -13.522) 14.332 14.668 ( 1.171 -0.819 -2.039) 2.490 14.787 ( -6.768 -2.785 2.488) 7.729 14.862 ( -9.082 -4.708 1.373) 10.322 15.548 ( 7.474 4.611 -1.880) 8.981 15.612 ( -2.139 2.439 -0.676) 3.314 16.373 ( -3.130 0.941 3.781) 4.998 16.645 ( -7.053 4.141 6.536) 10.470 16.770 ( 2.322 -8.936 -1.788) 9.405 17.027 ( 10.519 1.994 -0.505) 10.718 17.160 ( 23.808 13.015 -0.754) 27.144 18.256 ( 16.027 7.790 -0.046) 17.820 20.087 ( -7.131 -2.688 2.319) 7.966 20.208 ( -0.810 -1.021 6.186) 6.322 20.464 ( -13.871 0.043 0.990) 13.906 20.533 ( -12.628 0.970 1.117) 12.714 20.838 ( -2.791 -12.365 3.442) 13.135 22.335 ( -15.245 -8.978 0.524) 17.700 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 7.148 20.676 20.061) 29.682 1.901 ( 22.588 4.774 17.537) 28.992 2.537 ( 3.690 -0.728 -21.726) 22.050 2.874 ( 9.250 9.912 -14.154) 19.599 3.178 ( 16.936 6.872 27.772) 33.246 3.263 ( -2.149 -2.758 1.996) 4.026 3.438 ( -5.712 -3.347 10.595) 12.493 3.571 ( -2.376 -3.393 -0.592) 4.184 3.799 ( -2.317 2.397 0.048) 3.334 3.941 ( 0.830 4.864 -0.325) 4.946 4.084 ( 4.953 1.458 3.923) 6.485 4.420 ( 4.541 2.524 6.398) 8.242 4.710 ( -2.239 -15.266 1.228) 15.479 4.993 ( -8.985 -1.497 -10.045) 13.560 5.164 ( 3.521 3.470 -5.070) 7.081 5.393 ( -0.716 2.480 -2.210) 3.398 5.563 ( 1.016 1.827 -11.643) 11.829 5.759 ( -8.268 -4.329 1.061) 9.393 6.007 ( 1.967 1.787 -0.393) 2.687 6.140 ( 2.667 -0.100 -8.225) 8.647 6.270 ( 3.922 1.207 -2.770) 4.951 6.634 ( -1.705 1.034 -2.958) 3.567 6.894 ( 7.860 0.555 -0.643) 7.906 7.157 ( -9.961 -5.551 -4.335) 12.200 7.227 ( 1.091 5.177 2.998) 6.081 7.411 ( 5.636 2.401 2.478) 6.608 7.625 ( -5.482 -3.633 -2.643) 7.088 7.874 ( 0.351 2.210 -1.034) 2.465 7.909 ( 0.584 -1.322 7.343) 7.484 8.059 ( -9.538 -6.897 1.684) 11.890 8.195 ( 3.524 -3.892 0.393) 5.265 8.544 ( 3.673 0.197 -0.693) 3.743 8.588 ( 1.978 -0.290 -0.742) 2.132 8.646 ( -0.313 2.799 -5.771) 6.422 8.898 ( 0.447 -3.326 5.630) 6.555 9.120 ( -6.482 4.473 -2.576) 8.286 9.194 ( -1.185 -6.161 -5.931) 8.634 9.431 ( 1.532 -0.526 10.426) 10.551 9.636 ( -4.998 -6.598 6.771) 10.693 9.804 ( -3.626 -0.875 6.607) 7.587 10.016 ( -7.389 1.614 -0.411) 7.575 10.253 ( -4.773 -7.654 -8.526) 12.412 10.498 ( -3.959 4.959 -14.475) 15.805 10.722 ( 3.531 -5.128 -0.474) 6.244 10.829 ( 3.693 6.359 -8.777) 11.451 10.989 ( 0.958 -0.574 -2.365) 2.615 11.550 ( -2.102 3.375 1.468) 4.238 11.659 ( 0.463 1.478 3.992) 4.282 11.760 ( 1.858 -4.089 2.407) 5.096 12.017 ( -0.336 -3.509 11.441) 11.972 12.599 ( -0.182 -9.078 -0.280) 9.084 12.895 ( -2.742 4.573 -0.050) 5.333 12.964 ( -6.333 0.449 5.619) 8.478 13.013 ( 4.575 3.105 0.079) 5.530 13.183 ( 2.389 1.790 0.144) 2.988 13.505 ( 5.578 0.988 -2.658) 6.257 13.651 ( -4.225 -3.870 0.446) 5.747 14.189 ( -7.224 -4.765 -8.468) 12.108 14.440 ( -13.128 -0.017 -1.244) 13.187 14.706 ( -2.094 -8.599 0.533) 8.866 14.878 ( 2.066 -1.077 8.917) 9.216 15.525 ( -3.905 4.130 0.458) 5.702 15.727 ( 7.245 4.184 -0.256) 8.370 16.527 ( -6.892 7.770 -1.889) 10.557 16.665 ( 15.853 10.688 1.740) 19.198 16.844 ( 12.440 -7.849 6.492) 16.077 17.280 ( 13.080 8.840 -3.394) 16.147 17.725 ( 25.752 12.944 -2.696) 28.948 18.543 ( 12.017 0.322 1.062) 12.069 19.901 ( -12.105 -4.249 4.885) 13.728 20.102 ( -22.548 4.035 20.421) 30.687 20.265 ( -5.500 0.086 -7.486) 9.290 20.285 ( -9.047 -6.493 2.519) 11.417 20.773 ( 3.474 -7.564 -1.424) 8.445 21.911 ( -19.288 -11.718 -6.440) 23.469 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 11.853 22.752 9.416) 27.327 2.233 ( 7.912 -3.366 -0.616) 8.620 2.639 ( 14.610 5.533 -8.216) 17.651 3.088 ( 5.649 7.654 -8.773) 12.941 3.153 ( 1.582 -1.633 2.202) 3.165 3.336 ( -3.647 -1.404 5.337) 6.615 3.504 ( -0.764 -1.223 -1.188) 1.868 3.607 ( 2.787 7.132 17.342) 18.957 3.784 ( 1.988 1.223 -2.845) 3.680 3.973 ( 0.196 0.236 2.813) 2.830 4.105 ( -1.018 -4.358 0.875) 4.560 4.528 ( 1.053 -11.119 0.060) 11.169 4.676 ( -12.971 -11.206 -3.772) 17.551 4.792 ( 11.691 10.119 15.355) 21.791 5.247 ( 5.678 -2.382 -6.048) 8.630 5.380 ( -7.111 7.544 -1.965) 10.552 5.509 ( -0.163 3.644 -0.901) 3.757 5.617 ( -2.628 -4.494 -3.672) 6.371 6.128 ( 2.881 7.271 4.557) 9.051 6.189 ( 6.912 -0.961 -10.492) 12.601 6.315 ( 1.434 -2.887 -0.398) 3.248 6.547 ( -6.553 1.417 -16.513) 17.822 6.864 ( -6.715 -8.983 1.750) 11.352 6.979 ( -0.351 3.099 2.466) 3.976 7.259 ( -4.635 -0.569 -3.366) 5.757 7.432 ( -1.935 -2.860 3.237) 4.733 7.649 ( 6.151 5.920 0.643) 8.561 7.845 ( -1.288 -3.066 -0.848) 3.432 7.974 ( 7.967 0.508 3.951) 8.907 8.044 ( 3.578 2.668 3.850) 5.894 8.269 ( 7.524 -1.896 5.056) 9.261 8.483 ( -8.642 -1.363 0.375) 8.757 8.526 ( -2.484 -1.576 -4.146) 5.084 8.749 ( 3.561 -0.289 7.104) 7.952 8.912 ( -0.521 6.210 -3.963) 7.385 9.028 ( -2.910 -3.905 -6.609) 8.210 9.128 ( 5.396 -2.263 -11.073) 12.524 9.249 ( -21.389 -6.854 1.667) 22.522 9.522 ( 3.504 -4.850 8.375) 10.292 9.853 ( -4.293 -0.346 2.225) 4.848 9.938 ( -1.954 5.191 6.332) 8.418 10.096 ( -1.724 -7.751 -4.595) 9.174 10.441 ( -3.496 8.120 -12.599) 15.391 10.720 ( 1.464 -4.425 0.660) 4.708 10.919 ( 3.500 -2.706 -0.440) 4.446 10.992 ( 1.095 5.459 -2.012) 5.920 11.539 ( -2.310 -0.196 6.376) 6.784 11.673 ( -0.839 -3.056 4.064) 5.154 11.743 ( 0.761 0.720 -4.570) 4.689 12.024 ( -1.330 -3.105 10.302) 10.842 12.416 ( -8.687 -8.759 -5.733) 13.603 12.827 ( 0.972 -4.682 -0.784) 4.846 12.904 ( -4.001 1.753 0.894) 4.459 13.143 ( 5.019 3.299 -0.537) 6.030 13.291 ( 1.115 4.004 0.962) 4.266 13.491 ( -4.763 0.058 2.375) 5.323 13.672 ( 8.938 0.490 -6.712) 11.188 14.013 ( -5.759 -1.100 -5.120) 7.784 14.264 ( -10.485 4.882 0.320) 11.570 14.618 ( 2.454 -10.849 3.020) 11.526 14.860 ( -6.316 -0.771 16.153) 17.361 15.600 ( 7.130 1.451 -4.536) 8.574 15.879 ( 7.386 3.036 -2.652) 8.414 16.412 ( -8.168 3.297 -4.777) 10.021 16.998 ( 6.935 -3.021 9.423) 12.084 17.174 ( 20.672 16.115 1.475) 26.252 17.599 ( 13.468 10.318 -3.413) 17.306 18.222 ( 19.403 8.222 -4.914) 21.639 18.692 ( 7.427 -3.776 2.213) 8.621 19.638 ( -14.757 -4.448 4.543) 16.068 19.805 ( -19.911 -1.088 10.392) 22.486 20.013 ( -10.985 -2.579 -1.883) 11.439 20.244 ( -1.043 -5.094 8.976) 10.373 20.787 ( 5.175 -0.206 -5.836) 7.803 21.438 ( -17.447 -10.533 -9.454) 22.466 ======================= Grid point 188 (92/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.639 0.252 -5.966) 6.006 2.333 ( 14.585 16.322 4.727) 22.394 2.854 ( 2.876 -4.809 8.252) 9.975 3.081 ( -0.357 1.124 4.201) 4.363 3.279 ( 1.459 1.266 0.896) 2.129 3.397 ( 7.717 5.421 -4.652) 10.516 3.436 ( -3.257 6.121 -10.347) 12.455 3.665 ( -2.628 -0.676 3.577) 4.490 3.864 ( -1.723 0.344 7.732) 7.929 3.977 ( -2.150 -3.504 4.040) 5.764 4.056 ( 2.137 -3.328 1.838) 4.361 4.328 ( -8.924 -6.988 -4.925) 12.359 4.512 ( 8.419 -7.509 -0.878) 11.315 4.932 ( -5.101 -0.151 11.973) 13.015 5.232 ( -5.994 1.349 -10.709) 12.346 5.442 ( 6.967 5.625 4.539) 10.039 5.476 ( -1.915 -14.269 -3.265) 14.763 5.705 ( 9.305 13.297 2.019) 16.355 6.052 ( -8.738 -12.250 -12.008) 19.251 6.234 ( -6.341 13.605 8.659) 17.329 6.331 ( 4.432 0.975 1.997) 4.958 6.451 ( 3.154 1.261 -16.743) 17.084 6.811 ( 3.901 -1.138 -1.841) 4.461 7.022 ( -1.036 -1.625 0.857) 2.109 7.095 ( -3.765 -1.122 2.493) 4.653 7.435 ( -0.440 1.087 3.797) 3.974 7.743 ( 3.995 -1.154 -10.165) 10.983 7.892 ( 3.630 2.499 7.455) 8.660 8.119 ( 4.368 -3.270 5.484) 7.736 8.168 ( 3.619 4.671 6.175) 8.547 8.264 ( -9.359 -1.089 1.072) 9.483 8.453 ( 6.690 -0.797 8.146) 10.571 8.491 ( -0.722 0.407 -3.992) 4.078 8.719 ( -4.194 -1.564 0.961) 4.578 8.777 ( -14.403 -8.059 -0.498) 16.512 8.992 ( 2.082 4.841 -6.043) 8.017 9.048 ( 5.561 0.048 -10.455) 11.842 9.168 ( 3.652 1.202 -4.136) 5.647 9.581 ( 5.618 -3.637 4.691) 8.173 9.777 ( -5.162 4.072 3.113) 7.274 9.912 ( -3.276 -8.766 3.723) 10.072 10.042 ( -2.471 6.408 -4.192) 8.046 10.444 ( -0.453 8.004 -8.445) 11.645 10.688 ( -0.238 -4.300 0.600) 4.348 10.905 ( -0.159 -2.569 3.222) 4.123 11.087 ( 2.026 1.147 0.711) 2.434 11.538 ( -0.737 0.102 8.590) 8.622 11.635 ( -1.214 -1.653 1.533) 2.560 11.767 ( 4.176 -0.939 -5.633) 7.075 11.964 ( -4.103 -4.628 5.422) 8.225 12.180 ( -6.646 -2.705 -7.008) 10.030 12.851 ( 3.798 1.557 -2.369) 4.739 12.895 ( 3.831 -3.357 1.121) 5.215 13.160 ( -4.306 -1.139 -3.465) 5.644 13.285 ( -1.636 2.414 3.020) 4.198 13.511 ( 2.078 0.944 1.858) 2.943 13.732 ( -0.076 -2.021 -9.562) 9.774 13.965 ( 2.224 3.586 -4.435) 6.122 14.158 ( -9.371 6.141 1.788) 11.346 14.595 ( 5.020 -10.265 3.988) 12.103 14.843 ( -7.274 7.630 19.427) 22.103 15.686 ( 8.062 -7.719 -4.963) 12.215 16.033 ( 8.420 3.189 -4.016) 9.859 16.288 ( -7.435 1.232 -0.920) 7.592 17.065 ( 0.589 -2.282 3.728) 4.411 17.576 ( 4.885 12.397 -0.008) 13.324 17.879 ( 9.259 5.162 -1.281) 10.678 18.451 ( 6.023 0.058 -2.734) 6.615 18.764 ( 2.702 -3.743 0.800) 4.685 19.433 ( -7.397 3.959 -0.482) 8.404 19.509 ( -11.912 -6.811 8.274) 16.023 19.850 ( -5.325 -0.584 -0.871) 5.427 20.214 ( 0.403 -7.016 12.762) 14.569 20.876 ( 2.184 3.303 -12.564) 13.173 21.106 ( -4.127 -2.717 -3.610) 6.119 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -8.953 -5.954 -4.568) 11.682 2.714 ( -0.984 -2.766 10.420) 10.826 2.813 ( 4.259 10.469 4.441) 12.144 3.045 ( -5.882 -0.713 2.824) 6.564 3.270 ( -8.327 0.852 -7.074) 10.959 3.386 ( 3.407 3.546 0.209) 4.922 3.499 ( -2.407 -7.083 -0.821) 7.526 3.628 ( -2.550 -1.266 -6.755) 7.330 3.790 ( -5.727 -1.180 5.397) 7.957 3.853 ( 1.393 -8.147 5.600) 9.984 4.054 ( 0.839 0.205 3.271) 3.383 4.307 ( -2.446 7.146 -0.421) 7.565 4.621 ( 11.306 -8.614 -3.938) 14.749 4.915 ( -2.874 5.192 9.978) 11.610 5.036 ( -8.413 -7.042 -4.528) 11.869 5.270 ( -1.260 -7.753 -1.663) 8.029 5.629 ( 6.320 4.627 4.019) 8.803 5.805 ( 3.684 -9.989 -11.446) 15.632 6.033 ( 7.014 12.147 -7.663) 15.984 6.270 ( -7.693 10.456 10.035) 16.408 6.359 ( -0.944 3.442 -0.008) 3.569 6.500 ( 5.195 -1.572 -6.706) 8.627 6.894 ( 5.892 3.218 -5.594) 8.739 6.924 ( -1.603 -2.849 -1.545) 3.615 7.182 ( 4.850 4.033 2.277) 6.707 7.438 ( -1.588 -1.165 1.872) 2.717 7.744 ( 2.272 -4.690 -1.380) 5.391 7.977 ( 1.089 -2.560 3.938) 4.822 8.010 ( -9.757 -1.600 1.937) 10.075 8.187 ( -7.853 -3.846 10.617) 13.754 8.208 ( -7.965 2.188 2.376) 8.594 8.369 ( 2.901 -1.470 -0.309) 3.267 8.527 ( 4.248 -2.690 2.714) 5.714 8.706 ( 1.094 3.559 -2.929) 4.737 8.787 ( 9.520 5.573 0.232) 11.034 8.965 ( -2.432 -7.746 -6.862) 10.630 9.114 ( 5.150 6.272 -7.986) 11.386 9.278 ( 6.386 2.088 -4.826) 8.272 9.680 ( 7.430 -8.313 0.851) 11.182 9.775 ( -3.620 5.498 3.807) 7.604 9.814 ( 1.002 -0.303 4.612) 4.729 10.033 ( -6.120 11.954 -4.648) 14.212 10.500 ( 2.128 5.457 -6.176) 8.512 10.646 ( -0.298 -3.218 3.209) 4.555 10.906 ( 0.398 -0.590 2.677) 2.770 11.046 ( -2.069 -5.920 -0.282) 6.278 11.518 ( -4.406 0.019 1.061) 4.532 11.667 ( 4.164 -4.451 9.467) 11.260 11.792 ( 3.042 -2.620 -5.449) 6.768 11.896 ( -4.039 -1.428 3.868) 5.772 12.148 ( 7.227 6.704 -6.997) 12.088 12.895 ( -0.057 -5.063 -5.048) 7.150 12.976 ( 7.680 3.700 1.898) 8.733 13.129 ( 3.772 1.490 -0.489) 4.085 13.269 ( -4.346 1.349 2.742) 5.312 13.512 ( -1.573 -4.900 1.312) 5.311 13.596 ( -6.289 -1.488 -10.688) 12.490 14.059 ( -1.013 9.076 -3.195) 9.675 14.084 ( -1.024 1.954 1.241) 2.532 14.610 ( 5.345 -7.528 2.517) 9.570 14.913 ( -6.282 12.263 19.817) 24.137 15.682 ( 5.845 -13.697 -4.202) 15.473 16.096 ( -10.714 9.361 -6.664) 15.711 16.250 ( 10.775 -9.934 5.586) 15.684 16.988 ( -8.068 -0.874 -4.453) 9.257 17.553 ( -14.229 2.145 5.516) 15.411 17.901 ( -3.079 -9.697 -1.871) 10.345 18.570 ( 7.127 2.617 -4.711) 8.935 18.671 ( -9.021 -1.082 0.341) 9.092 19.204 ( -11.966 -7.966 4.995) 15.218 19.585 ( 5.907 11.685 6.451) 14.596 19.846 ( 5.969 -0.538 -0.402) 6.007 20.243 ( 4.914 -4.544 6.796) 9.538 20.760 ( -4.667 0.293 -8.474) 9.679 21.281 ( 14.432 8.851 -4.301) 17.468 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 11.731 1.291 33.107) 35.148 1.521 ( -7.966 18.897 30.118) 36.437 2.544 ( -3.895 1.325 -20.559) 20.966 2.598 ( 3.905 10.317 6.644) 12.878 2.712 ( -0.825 19.172 30.264) 35.835 3.389 ( -1.415 -5.540 -1.849) 6.010 3.610 ( -5.189 -3.243 1.123) 6.221 3.693 ( 4.647 1.310 4.711) 6.745 3.782 ( -1.068 0.485 3.310) 3.512 3.821 ( 7.044 0.413 -1.495) 7.213 3.983 ( -1.465 3.803 -4.509) 6.078 4.448 ( -0.760 -8.678 0.681) 8.738 4.760 ( -5.194 -3.560 -5.620) 8.440 5.023 ( 0.163 3.500 -13.058) 13.520 5.270 ( 1.143 -2.194 -5.663) 6.180 5.342 ( 5.510 -1.416 -2.653) 6.277 5.463 ( -3.346 2.290 -0.259) 4.063 5.870 ( -1.026 0.077 -21.527) 21.552 5.968 ( -0.573 -2.890 -5.343) 6.101 6.166 ( 1.344 5.019 -4.308) 6.750 6.376 ( 1.662 -8.667 10.610) 13.801 6.603 ( -6.632 7.637 1.389) 10.209 6.686 ( 3.067 1.442 2.441) 4.177 7.091 ( 2.551 -0.871 -2.712) 3.823 7.273 ( -1.915 6.628 -2.416) 7.310 7.346 ( 0.514 1.928 3.443) 3.980 7.673 ( -0.231 -5.762 -2.965) 6.485 8.000 ( 1.374 -4.181 2.881) 5.260 8.032 ( 1.456 -7.963 -1.837) 8.300 8.231 ( -1.406 1.955 0.332) 2.431 8.277 ( -5.269 -1.763 0.899) 5.628 8.328 ( 2.158 3.091 -2.752) 4.668 8.578 ( -0.085 8.742 -1.601) 8.888 8.703 ( 0.598 -10.626 -0.320) 10.647 8.990 ( -3.580 -10.639 8.749) 14.232 9.056 ( -2.531 -8.388 3.079) 9.287 9.314 ( 8.982 1.002 11.660) 14.753 9.382 ( -3.083 4.633 7.152) 9.062 9.548 ( -4.670 10.523 9.404) 14.865 10.052 ( 1.511 -7.259 -0.049) 7.415 10.130 ( 2.522 -2.721 4.122) 5.546 10.379 ( -2.221 -8.899 -13.692) 16.481 10.538 ( 2.089 -3.352 -13.924) 14.473 10.596 ( -3.695 1.932 -15.184) 15.746 10.813 ( 4.344 3.384 -3.769) 6.673 10.889 ( -1.580 9.646 -6.958) 11.999 11.498 ( 1.614 3.063 -1.805) 3.904 11.653 ( 0.235 -3.181 6.409) 7.159 11.732 ( -1.469 4.352 3.824) 5.976 12.081 ( -1.391 0.570 13.615) 13.698 12.683 ( -5.257 -5.836 2.150) 8.144 12.819 ( 5.615 3.225 5.714) 8.636 12.924 ( -0.102 3.941 -0.640) 3.994 13.020 ( 1.788 0.783 8.531) 8.751 13.258 ( -1.937 -8.602 0.761) 8.850 13.414 ( -1.053 4.017 -2.100) 4.653 13.752 ( -0.158 -4.348 1.220) 4.518 14.315 ( -0.363 -4.115 -14.349) 14.932 14.653 ( -0.518 -0.013 -1.492) 1.580 14.811 ( 2.104 -13.131 -0.245) 13.301 14.877 ( -1.626 -1.357 0.515) 2.180 15.516 ( 0.984 5.450 0.643) 5.575 15.633 ( 2.164 8.082 -2.517) 8.737 16.347 ( 0.034 -10.150 3.792) 10.836 16.640 ( 9.338 -4.353 3.610) 10.917 16.859 ( -10.793 5.051 -1.807) 12.052 17.029 ( -3.093 9.332 -0.443) 9.841 17.118 ( 1.281 25.299 -0.032) 25.331 18.264 ( -1.025 18.103 0.853) 18.152 20.118 ( 1.061 -5.357 3.470) 6.470 20.202 ( -0.200 -1.460 0.303) 1.505 20.437 ( 7.052 -18.270 6.777) 20.724 20.538 ( 2.846 -5.378 -0.681) 6.122 20.875 ( -6.004 -6.702 0.239) 9.001 22.338 ( -0.142 -19.163 0.963) 19.188 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 16.062 8.001 22.281) 28.609 1.721 ( -1.673 21.416 22.116) 30.831 2.415 ( -0.600 1.777 -25.354) 25.424 2.758 ( 8.329 10.008 -16.008) 20.635 3.169 ( 9.816 13.252 31.321) 35.397 3.283 ( -2.338 -4.526 1.820) 5.410 3.524 ( -3.423 1.460 0.988) 3.850 3.640 ( -7.014 -3.804 3.035) 8.537 3.828 ( 2.516 1.150 2.888) 4.000 3.967 ( -1.071 1.771 -6.014) 6.360 4.058 ( 6.390 7.110 15.646) 18.336 4.404 ( 2.822 2.657 5.041) 6.359 4.610 ( -3.083 -13.580 4.496) 14.633 4.948 ( -0.589 -1.209 -21.535) 21.577 5.210 ( -2.775 -2.582 -1.846) 4.215 5.364 ( -0.820 -4.446 -1.231) 4.685 5.504 ( 3.997 7.818 -9.098) 12.644 5.756 ( -0.521 -0.720 -19.971) 19.991 5.977 ( 3.598 0.005 3.584) 5.079 6.188 ( -4.389 4.138 -9.987) 11.667 6.276 ( -3.368 -3.826 12.179) 13.203 6.646 ( -0.427 1.977 -1.671) 2.624 6.765 ( 6.416 2.325 -0.131) 6.826 7.157 ( 2.739 -5.278 1.159) 6.058 7.288 ( -0.740 7.890 -0.417) 7.935 7.403 ( 0.701 2.574 3.311) 4.252 7.599 ( 1.557 -5.625 -9.195) 10.890 7.901 ( -5.354 -4.514 3.905) 8.018 7.948 ( -2.761 -2.723 0.691) 3.939 8.152 ( -8.159 -1.877 1.674) 8.538 8.204 ( -3.134 -0.494 3.571) 4.777 8.459 ( 7.651 1.977 -2.698) 8.351 8.554 ( -3.054 -0.958 -1.275) 3.445 8.658 ( 1.088 2.706 -0.166) 2.922 8.867 ( -1.678 -7.117 3.915) 8.294 9.033 ( 4.144 -7.683 0.903) 8.776 9.286 ( -7.702 -3.973 -0.818) 8.704 9.475 ( 1.489 -2.680 10.341) 10.785 9.630 ( 0.764 4.528 11.059) 11.974 9.939 ( -6.660 -6.283 4.341) 10.133 10.107 ( -2.834 0.478 -4.752) 5.553 10.210 ( -3.791 -8.117 -6.228) 10.910 10.479 ( 2.040 1.295 -18.259) 18.418 10.568 ( 4.142 -2.120 -3.163) 5.627 10.878 ( 0.806 5.917 -5.029) 7.807 10.939 ( 1.444 1.642 -2.783) 3.539 11.590 ( 3.153 5.424 -2.594) 6.789 11.656 ( 1.247 -4.247 6.148) 7.575 11.731 ( -3.516 -0.222 3.274) 4.809 12.078 ( -3.067 -1.766 11.254) 11.798 12.553 ( -3.171 -6.811 2.909) 8.056 12.974 ( 2.391 6.493 -1.503) 7.080 13.010 ( 4.299 6.008 -0.042) 7.388 13.067 ( 1.659 -6.983 3.931) 8.184 13.112 ( -6.192 -1.332 6.289) 8.926 13.421 ( 2.170 0.636 -3.814) 4.434 13.675 ( -3.059 -6.244 1.771) 7.176 14.185 ( -2.957 -5.074 -10.286) 11.844 14.528 ( -5.409 -9.132 -2.417) 10.885 14.680 ( -2.748 -9.377 1.328) 9.861 14.947 ( 1.197 12.451 3.831) 13.082 15.547 ( -1.173 -4.776 -4.987) 7.004 15.764 ( 1.398 10.624 2.618) 11.031 16.384 ( 11.815 -0.627 7.185) 13.842 16.703 ( -3.446 3.480 -7.469) 8.932 16.887 ( -0.115 14.939 5.358) 15.871 17.091 ( 10.923 8.254 0.068) 13.691 17.568 ( 14.726 24.716 -1.124) 28.793 18.433 ( 2.876 6.887 2.234) 7.790 20.025 ( -5.924 -5.610 2.856) 8.644 20.210 ( 2.171 -2.681 -0.188) 3.455 20.351 ( -5.455 -9.486 5.481) 12.238 20.534 ( 8.507 -13.653 -0.126) 16.087 20.604 ( -17.906 -2.267 2.736) 18.255 22.007 ( -12.102 -21.267 -3.620) 24.735 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.157 13.220 9.633) 17.151 2.099 ( 8.943 11.173 6.918) 15.896 2.428 ( 10.395 7.786 -15.750) 20.415 2.972 ( 11.285 11.142 -13.420) 20.775 3.186 ( -3.391 -0.868 2.796) 4.480 3.435 ( -2.999 -2.800 3.285) 5.256 3.475 ( -1.003 -1.782 7.911) 8.171 3.661 ( 8.381 9.169 6.565) 14.050 3.819 ( -5.531 0.433 -1.801) 5.833 3.957 ( 2.109 -0.464 0.623) 2.247 4.166 ( -5.629 2.762 14.619) 15.907 4.416 ( -3.214 -14.461 5.505) 15.804 4.710 ( 6.903 2.063 8.239) 10.945 4.805 ( -0.784 3.470 -5.550) 6.593 5.084 ( -0.585 -7.428 -4.642) 8.779 5.376 ( 5.334 -6.180 1.256) 8.260 5.557 ( -1.441 7.325 -12.145) 14.256 5.676 ( -2.284 2.174 -6.093) 6.860 6.084 ( -1.533 4.942 -10.469) 11.678 6.118 ( 6.114 2.331 2.006) 6.844 6.293 ( 1.701 -1.075 4.694) 5.107 6.593 ( -3.784 -0.682 -8.379) 9.219 6.849 ( -0.685 -6.179 3.718) 7.244 7.072 ( -4.293 2.623 -1.814) 5.348 7.361 ( -4.842 3.583 -1.855) 6.302 7.412 ( 2.848 0.339 1.833) 3.404 7.627 ( 3.904 4.836 -5.401) 8.234 7.773 ( -0.695 -8.813 0.038) 8.840 7.923 ( 0.664 -1.671 5.762) 6.036 8.070 ( -0.925 3.792 6.910) 7.936 8.208 ( 1.289 0.679 6.731) 6.887 8.472 ( 0.395 -1.690 -6.654) 6.877 8.575 ( -1.978 -0.875 -0.374) 2.195 8.715 ( 2.627 0.668 5.660) 6.275 8.852 ( 5.833 -2.060 -4.945) 7.920 8.992 ( -0.078 -6.201 -4.544) 7.688 9.086 ( -7.340 -5.061 -2.024) 9.142 9.474 ( -1.594 -7.867 5.773) 9.887 9.516 ( -12.716 -4.754 5.544) 14.664 9.894 ( -0.636 1.173 2.633) 2.952 10.025 ( -2.557 -9.831 -5.127) 11.379 10.083 ( -3.247 7.247 2.794) 8.418 10.480 ( 1.132 6.685 -14.751) 16.235 10.629 ( 5.067 -3.000 1.085) 5.988 10.903 ( -1.594 2.539 0.650) 3.068 10.991 ( 3.943 3.365 -3.707) 6.373 11.588 ( -4.296 -7.389 9.780) 12.988 11.647 ( -0.543 -1.868 0.224) 1.958 11.697 ( 1.761 -0.570 -4.436) 4.807 12.068 ( -1.376 -1.683 9.881) 10.118 12.452 ( -4.225 -4.572 0.614) 6.255 12.833 ( -7.830 -8.758 0.202) 11.749 13.020 ( -6.063 0.993 -0.108) 6.144 13.090 ( 4.464 3.520 -0.808) 5.742 13.263 ( 7.424 4.941 2.753) 9.334 13.487 ( 5.123 -3.777 -5.077) 8.141 13.565 ( -2.063 0.449 0.542) 2.180 14.055 ( -3.610 -2.532 -6.340) 7.723 14.366 ( -1.488 -8.471 -1.614) 8.751 14.562 ( -5.369 -1.871 3.084) 6.468 15.082 ( -3.959 9.380 16.332) 19.246 15.449 ( 3.119 -7.096 -8.564) 11.551 15.881 ( 0.499 9.515 -3.103) 10.020 16.594 ( -5.078 9.059 -3.530) 10.969 16.747 ( 13.846 3.791 0.930) 14.385 17.145 ( 11.500 11.591 7.461) 17.952 17.457 ( 15.099 14.729 0.085) 21.094 18.045 ( 13.843 20.844 -3.327) 25.242 18.503 ( 4.898 -7.096 2.792) 9.064 19.850 ( -9.718 -5.026 4.813) 11.952 20.039 ( -13.971 -9.398 -5.767) 17.798 20.231 ( -2.607 -4.061 1.016) 4.931 20.304 ( -16.002 -1.999 13.812) 21.233 20.583 ( 10.573 -7.269 -4.771) 13.689 21.542 ( -14.661 -18.020 -7.323) 24.357 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 5.668 -2.239 -9.306) 11.124 2.392 ( 5.855 22.480 3.765) 23.533 2.728 ( 13.581 4.302 3.928) 14.777 3.161 ( -0.850 5.487 1.292) 5.701 3.254 ( 10.257 7.324 -2.870) 12.926 3.314 ( -2.614 -1.729 -0.615) 3.194 3.494 ( -0.982 -0.453 -0.454) 1.173 3.694 ( -4.128 -3.268 -1.556) 5.490 3.939 ( 7.926 5.921 7.258) 12.270 3.979 ( -2.345 -0.087 4.211) 4.820 4.084 ( -10.495 -0.169 7.635) 12.979 4.287 ( 1.364 -12.106 3.747) 12.746 4.467 ( -8.790 -2.051 -9.325) 12.978 4.962 ( -1.567 -9.128 8.405) 12.507 5.112 ( 9.749 -4.896 -4.803) 11.920 5.377 ( 3.211 -6.017 3.736) 7.777 5.516 ( -5.253 6.771 -6.235) 10.598 5.746 ( 2.650 10.465 4.162) 11.570 6.038 ( -5.149 -2.075 -12.846) 13.994 6.223 ( 4.223 -3.733 1.105) 5.744 6.386 ( 5.248 6.726 3.254) 9.131 6.461 ( -2.988 4.061 -12.676) 13.642 6.764 ( -2.193 -1.757 3.618) 4.581 7.038 ( -2.490 -0.122 -0.773) 2.610 7.254 ( -10.362 4.445 0.461) 11.284 7.469 ( 0.366 1.708 3.330) 3.760 7.619 ( 3.187 -1.898 -10.490) 11.127 7.885 ( 7.790 4.490 5.915) 10.763 7.981 ( 5.328 -5.085 10.248) 12.620 8.177 ( 3.896 6.424 3.371) 8.234 8.327 ( 6.241 -0.646 6.834) 9.278 8.427 ( -3.567 -2.786 -3.285) 5.593 8.453 ( -2.662 -3.230 -0.728) 4.249 8.730 ( -1.219 -2.773 0.273) 3.041 8.861 ( -5.740 -7.614 -3.785) 10.259 8.914 ( 1.815 -10.374 -3.228) 11.015 8.976 ( 0.910 1.127 -4.917) 5.126 9.232 ( -7.020 6.316 -2.884) 9.874 9.495 ( 1.293 -4.667 7.096) 8.591 9.844 ( -3.160 -8.297 -0.840) 8.918 9.868 ( -1.413 -3.162 -0.873) 3.572 10.178 ( -0.629 11.048 2.026) 11.250 10.520 ( -0.758 10.514 -11.644) 15.707 10.661 ( 0.625 -2.101 2.284) 3.165 10.907 ( -0.514 0.935 3.320) 3.487 11.085 ( 2.600 3.272 -1.248) 4.362 11.496 ( 0.823 -8.673 7.732) 11.649 11.610 ( 0.760 -5.128 0.152) 5.186 11.684 ( -0.035 -2.730 -2.166) 3.485 12.013 ( -5.665 -6.824 3.898) 9.688 12.304 ( -8.279 3.033 -2.250) 9.099 12.735 ( 4.061 -5.077 1.629) 6.702 12.913 ( -4.666 -1.722 1.028) 5.079 13.151 ( 0.436 -2.988 -2.885) 4.177 13.350 ( -1.954 2.428 -0.846) 3.229 13.458 ( 4.601 -0.144 -0.400) 4.621 13.689 ( 4.598 6.008 -4.478) 8.791 13.951 ( -2.458 -2.086 -4.718) 5.714 14.292 ( 1.489 -6.451 -1.786) 6.857 14.483 ( -5.119 1.016 4.838) 7.117 15.171 ( -6.032 11.549 23.351) 26.740 15.429 ( 7.262 -10.946 -7.089) 14.926 15.966 ( 2.058 8.941 -8.119) 12.251 16.526 ( -11.245 12.228 -5.126) 17.386 17.004 ( 7.807 1.951 6.054) 10.070 17.494 ( 15.865 2.249 0.929) 16.051 17.848 ( 8.278 19.075 2.034) 20.893 18.313 ( 3.527 -0.625 -3.143) 4.765 18.579 ( 12.398 -2.545 -0.578) 12.670 19.655 ( -9.105 -8.108 7.482) 14.305 19.690 ( -14.626 0.646 -1.473) 14.714 20.011 ( -14.010 2.475 -9.302) 16.998 20.197 ( -2.120 -10.934 18.891) 21.929 20.714 ( 11.500 -1.347 -8.706) 14.486 21.144 ( -9.623 -11.375 -5.609) 15.920 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.887 -2.453 -7.228) 7.684 2.726 ( 7.318 15.998 0.381) 17.597 2.870 ( -2.198 -2.569 12.694) 13.137 3.195 ( -5.021 3.610 5.983) 8.605 3.321 ( 6.823 5.630 -3.445) 9.493 3.397 ( -3.268 -1.402 -1.863) 4.015 3.500 ( -2.542 2.072 -7.346) 8.045 3.601 ( 0.735 -1.702 -4.703) 5.055 3.801 ( -6.475 -10.142 3.782) 12.613 3.931 ( -8.774 -2.403 5.848) 10.815 4.027 ( 2.156 -3.046 5.811) 6.906 4.369 ( 6.197 7.729 3.722) 10.583 4.429 ( 2.283 1.709 -3.837) 4.781 4.894 ( 4.168 -8.972 6.676) 11.935 5.013 ( -3.065 -16.056 -5.196) 17.152 5.327 ( -7.312 0.484 -1.451) 7.470 5.598 ( 5.151 6.699 1.204) 8.536 5.691 ( -8.535 -8.665 -2.591) 12.435 5.994 ( 6.696 10.769 -9.933) 16.108 6.333 ( 7.064 0.773 -1.979) 7.377 6.398 ( -3.335 -0.254 3.593) 4.909 6.584 ( 0.146 14.391 -5.042) 15.250 6.786 ( 4.224 1.135 0.524) 4.405 6.962 ( -4.086 -1.714 -0.323) 4.443 7.195 ( -1.546 6.074 1.510) 6.447 7.476 ( -2.232 0.305 2.433) 3.316 7.634 ( 3.681 -1.996 -5.389) 6.825 7.987 ( -1.989 -2.980 9.366) 10.027 8.097 ( 3.266 -1.553 6.495) 7.434 8.256 ( -4.330 0.257 -2.891) 5.213 8.313 ( -1.682 -6.007 7.214) 9.537 8.349 ( 2.152 -2.446 -6.062) 6.882 8.456 ( -2.613 -2.548 6.487) 7.443 8.642 ( 4.985 -3.291 -0.341) 5.983 8.741 ( 0.301 4.709 -0.584) 4.754 8.820 ( 2.956 -8.512 -7.670) 11.833 9.068 ( 4.885 5.888 -7.545) 10.745 9.262 ( -1.169 5.586 -1.944) 6.029 9.467 ( 2.796 -12.262 -0.725) 12.598 9.760 ( 3.149 -3.129 4.260) 6.153 9.874 ( 0.477 3.662 0.626) 3.746 10.265 ( -3.373 12.701 -1.044) 13.183 10.537 ( -2.601 6.862 -8.563) 11.277 10.647 ( -1.314 -1.520 4.501) 4.929 10.929 ( -0.804 2.936 1.982) 3.633 11.070 ( -4.621 -2.902 1.604) 5.687 11.486 ( 2.435 -10.309 3.675) 11.212 11.606 ( 4.929 -3.299 -1.770) 6.190 11.641 ( 0.339 -6.357 3.678) 7.353 11.873 ( 0.513 -1.990 -3.215) 3.816 12.249 ( -5.480 8.871 -0.946) 10.470 12.799 ( 3.784 -4.875 0.686) 6.209 12.880 ( 4.901 -1.513 0.635) 5.169 13.068 ( -0.193 -3.265 -3.534) 4.815 13.371 ( -1.310 4.596 -0.125) 4.781 13.520 ( -0.172 0.797 2.497) 2.627 13.683 ( -6.439 2.220 -7.182) 9.898 13.953 ( 5.752 -1.307 -2.451) 6.387 14.246 ( -1.561 -2.180 -0.134) 2.684 14.454 ( -0.095 -0.675 3.115) 3.189 15.275 ( -6.997 13.795 13.405) 20.468 15.417 ( 7.299 -13.137 1.026) 15.063 16.070 ( 3.913 5.172 -2.055) 6.803 16.410 ( -13.352 10.467 -3.965) 17.423 17.072 ( -2.949 0.018 2.790) 4.059 17.654 ( 3.993 -5.290 -4.727) 8.141 18.002 ( -10.059 7.742 2.860) 13.011 18.333 ( 11.163 -8.470 -2.362) 14.210 18.736 ( 2.743 2.188 -0.701) 3.578 19.395 ( -11.522 -6.650 6.777) 14.930 19.674 ( 1.467 9.696 3.906) 10.555 19.819 ( -6.180 4.807 -5.069) 9.327 20.146 ( 1.732 -10.288 11.147) 15.267 20.749 ( -0.519 -4.665 -9.401) 10.508 21.083 ( 11.527 1.258 -3.781) 12.196 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -2.627 4.115 28.511) 28.926 1.970 ( -8.586 20.532 23.636) 32.465 2.534 ( 4.134 7.752 -20.183) 22.013 2.613 ( -11.184 2.071 -20.245) 23.221 3.194 ( -9.747 12.314 27.274) 31.472 3.305 ( 2.607 -4.641 -3.553) 6.400 3.602 ( 6.225 2.365 8.683) 10.943 3.668 ( 4.230 0.083 5.643) 7.053 3.730 ( 0.624 2.989 -5.453) 6.250 3.878 ( -4.712 1.267 9.640) 10.804 4.042 ( -5.469 3.190 2.415) 6.776 4.431 ( -1.033 -0.502 9.851) 9.917 4.807 ( -6.535 -6.340 -9.800) 13.377 4.932 ( 5.871 -3.775 -7.947) 10.576 5.197 ( 5.410 5.673 -4.470) 9.024 5.281 ( -3.515 -5.816 -0.651) 6.827 5.472 ( 0.266 0.346 -15.941) 15.947 5.859 ( -0.615 2.374 1.160) 2.713 5.972 ( -3.892 4.229 -16.520) 17.491 6.099 ( 5.208 -1.142 -4.113) 6.734 6.309 ( 1.504 -1.525 11.096) 11.301 6.616 ( 2.669 -4.309 -2.185) 5.519 6.862 ( -7.508 10.684 -2.158) 13.236 7.072 ( -3.621 -5.060 2.283) 6.628 7.292 ( 4.560 -3.587 5.067) 7.703 7.408 ( -1.741 7.643 -1.915) 8.069 7.618 ( -4.167 -4.102 -10.489) 12.009 7.816 ( 7.463 -8.339 4.401) 12.026 8.005 ( 1.401 3.625 6.188) 7.307 8.187 ( 9.106 -4.923 -4.262) 11.195 8.262 ( 0.008 1.980 2.719) 3.364 8.463 ( -9.007 6.654 -5.206) 12.349 8.599 ( 1.384 -1.936 -1.824) 2.999 8.623 ( 1.818 2.460 -2.975) 4.268 8.974 ( -1.083 -1.783 -1.661) 2.666 8.989 ( 0.314 -13.990 11.305) 17.990 9.239 ( 4.037 -2.043 -2.491) 5.164 9.500 ( -1.361 0.225 12.454) 12.530 9.757 ( -1.399 6.930 8.183) 10.814 9.865 ( 7.268 -7.908 2.028) 10.930 10.022 ( 5.076 -6.322 3.891) 8.994 10.215 ( 1.014 -9.983 -15.400) 18.380 10.422 ( 2.245 -2.602 -9.768) 10.355 10.690 ( -6.510 5.385 -9.204) 12.493 10.805 ( 0.637 3.541 -1.243) 3.807 10.968 ( -2.237 3.944 -4.316) 6.260 11.505 ( -0.398 1.117 -0.723) 1.389 11.652 ( -0.036 -2.047 4.836) 5.251 11.798 ( -0.289 1.332 1.987) 2.410 12.113 ( 1.605 -1.175 7.860) 8.107 12.728 ( -3.003 -5.835 -1.895) 6.831 12.814 ( 2.475 7.492 4.781) 9.226 12.984 ( -2.415 4.258 0.599) 4.932 13.045 ( 2.329 2.735 10.058) 10.680 13.135 ( 2.698 -9.822 -1.463) 10.291 13.477 ( -2.805 3.753 -4.851) 6.745 13.679 ( 2.371 -7.211 1.757) 7.791 14.200 ( 2.429 -4.599 -11.927) 13.012 14.414 ( 10.060 -18.711 1.878) 21.327 14.756 ( -2.691 -3.399 -0.106) 4.337 14.991 ( -1.362 15.327 1.206) 15.435 15.565 ( 9.105 -0.782 1.140) 9.209 15.626 ( -7.130 2.495 2.177) 7.861 16.362 ( -7.770 -0.817 6.933) 10.445 16.587 ( -1.240 1.689 0.397) 2.133 17.089 ( 2.991 21.627 -4.150) 22.224 17.115 ( -9.901 7.779 -1.722) 12.709 17.563 ( -17.443 22.387 -0.976) 28.397 18.518 ( -6.546 12.673 -1.711) 14.365 19.991 ( 7.306 -7.587 4.897) 11.616 20.057 ( 6.888 -23.915 16.596) 29.913 20.233 ( 0.178 -2.870 -1.213) 3.121 20.406 ( 7.738 -5.982 1.983) 9.980 20.851 ( 1.612 -2.496 -2.966) 4.198 22.017 ( 11.762 -20.707 -3.806) 24.117 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 11.459 9.983 22.987) 27.557 2.138 ( -7.971 19.965 16.475) 27.084 2.401 ( -5.367 5.226 -21.003) 22.299 2.658 ( 7.397 11.777 -18.499) 23.144 3.246 ( -0.192 -6.123 -1.089) 6.222 3.302 ( 0.048 6.371 16.647) 17.824 3.600 ( -2.515 0.959 -0.750) 2.794 3.719 ( -6.210 -2.673 -0.641) 6.791 3.795 ( 3.907 3.974 1.748) 5.841 3.961 ( 0.908 1.170 -3.455) 3.759 4.142 ( 7.597 14.597 30.506) 34.661 4.441 ( -1.671 -1.360 13.817) 13.984 4.590 ( -6.335 -7.766 -3.821) 10.726 4.898 ( -1.766 -1.591 -15.063) 15.249 5.131 ( 2.067 -6.007 -0.591) 6.380 5.322 ( 0.215 0.467 -15.487) 15.496 5.506 ( 4.717 5.674 -0.257) 7.383 5.744 ( -8.393 3.328 -18.357) 20.457 5.919 ( 1.548 -0.480 -0.946) 1.877 6.201 ( 3.553 2.282 -3.588) 5.541 6.314 ( -1.200 -7.014 10.392) 12.595 6.613 ( 2.207 -3.386 -4.303) 5.904 6.843 ( -6.274 10.462 1.701) 12.317 7.037 ( 4.614 -5.291 2.194) 7.356 7.342 ( 3.835 -6.537 4.223) 8.676 7.428 ( -3.216 2.877 0.757) 4.381 7.483 ( -0.390 1.839 -8.053) 8.269 7.874 ( 5.176 -6.501 0.988) 8.368 8.027 ( -6.050 3.569 0.133) 7.025 8.206 ( -2.457 -0.690 -7.578) 7.996 8.282 ( 1.494 -0.497 8.524) 8.668 8.431 ( -0.206 7.942 -6.458) 10.239 8.551 ( -2.539 -3.201 -1.082) 4.227 8.677 ( 1.600 2.577 -0.747) 3.124 8.852 ( -3.860 -11.577 10.597) 16.162 8.950 ( 1.048 -1.653 0.757) 2.099 9.257 ( 1.611 -7.706 -5.467) 9.585 9.483 ( -1.799 -5.643 13.086) 14.364 9.776 ( -6.237 2.921 11.268) 13.206 9.890 ( 4.140 -4.881 -4.977) 8.108 10.029 ( 2.336 -9.081 -4.990) 10.622 10.163 ( 4.470 -4.933 1.863) 6.913 10.348 ( 0.548 -1.622 -14.116) 14.219 10.620 ( -6.127 7.426 -4.200) 10.504 10.827 ( 2.700 1.023 -2.817) 4.034 10.982 ( -0.963 2.610 -1.095) 2.990 11.559 ( 3.479 3.744 -2.014) 5.493 11.647 ( -0.345 -1.100 4.340) 4.491 11.811 ( -1.997 0.226 1.359) 2.426 12.123 ( -0.491 -3.337 6.824) 7.612 12.570 ( -4.971 -7.749 1.876) 9.396 12.918 ( 0.888 -4.609 1.851) 5.045 12.991 ( 1.199 5.060 -1.323) 5.366 13.087 ( 0.578 1.711 -0.739) 1.951 13.182 ( 1.613 2.659 8.706) 9.245 13.422 ( -3.277 0.564 -4.226) 5.378 13.622 ( 0.913 -9.636 2.001) 9.884 14.116 ( -0.177 -5.247 -9.374) 10.744 14.439 ( 6.534 -12.435 3.585) 14.497 14.619 ( -4.081 -5.843 -1.384) 7.260 15.106 ( -2.134 16.391 -0.173) 16.531 15.542 ( -4.781 -3.797 -1.284) 6.239 15.763 ( 8.742 6.112 -2.047) 10.861 16.329 ( 1.676 -0.874 10.067) 10.243 16.640 ( 3.789 6.741 -0.737) 7.768 17.107 ( -4.430 18.031 -2.245) 18.702 17.232 ( -7.783 12.848 -2.361) 15.206 17.645 ( 3.469 26.496 -0.292) 26.724 18.578 ( -3.560 12.024 0.440) 12.547 19.968 ( 2.954 -19.324 8.502) 21.317 20.062 ( 7.201 -5.892 -2.642) 9.672 20.222 ( 3.791 -9.612 6.632) 12.278 20.428 ( -0.945 -5.382 5.292) 7.607 20.756 ( -5.474 -4.945 -4.566) 8.676 21.860 ( -0.415 -25.825 -4.352) 26.192 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 7.640 5.900 11.431) 14.961 2.188 ( 2.940 12.280 -13.112) 18.203 2.442 ( -3.044 19.640 4.384) 20.352 2.852 ( 8.932 12.722 -15.830) 22.186 3.200 ( 0.729 -2.411 0.078) 2.520 3.417 ( 2.264 -0.158 6.118) 6.525 3.508 ( -4.667 -9.240 -0.311) 10.357 3.683 ( 1.548 8.982 3.870) 9.901 3.891 ( 1.078 3.430 2.370) 4.306 3.931 ( -1.883 0.508 -1.334) 2.362 4.379 ( -3.865 -11.169 5.053) 12.853 4.439 ( -7.645 5.701 20.358) 22.481 4.534 ( 8.500 -4.450 -3.698) 10.282 4.848 ( 1.599 9.219 4.194) 10.254 5.134 ( -8.134 -3.439 -0.865) 8.873 5.211 ( 5.608 -6.185 -0.335) 8.356 5.587 ( -2.714 10.773 -22.950) 25.497 5.657 ( 4.417 -0.056 2.305) 4.983 5.997 ( 7.769 1.245 -2.699) 8.319 6.158 ( -5.462 -3.534 -0.427) 6.520 6.282 ( 0.022 -1.429 2.798) 3.142 6.583 ( -0.205 -1.987 -6.815) 7.102 6.857 ( -1.160 0.177 3.642) 3.826 7.082 ( 2.484 -1.391 -0.485) 2.888 7.315 ( 3.435 -7.667 -1.953) 8.626 7.455 ( 0.901 5.026 4.282) 6.664 7.555 ( 4.688 5.891 -2.860) 8.053 7.842 ( -8.854 -2.087 -3.214) 9.648 7.929 ( -1.579 2.641 0.711) 3.158 8.133 ( -1.258 0.074 -0.194) 1.275 8.294 ( -5.016 1.809 9.990) 11.324 8.462 ( -2.829 -1.351 -4.044) 5.117 8.551 ( 5.345 5.017 -2.372) 7.705 8.708 ( 1.313 -0.759 -4.467) 4.718 8.766 ( -1.034 -3.649 10.803) 11.449 8.953 ( -1.039 -2.939 0.194) 3.124 9.105 ( -4.010 -8.377 -4.249) 10.213 9.421 ( -0.798 -11.533 4.127) 12.275 9.665 ( -8.609 -5.794 9.359) 13.974 9.889 ( 0.772 -1.872 -5.736) 6.083 9.938 ( -0.348 -7.312 -3.099) 7.950 10.179 ( 0.427 1.932 -0.518) 2.045 10.391 ( 8.131 1.635 -9.305) 12.465 10.619 ( -2.519 8.454 2.729) 9.234 10.902 ( 5.729 0.847 -3.862) 6.961 10.964 ( -1.753 0.462 2.432) 3.033 11.617 ( -3.731 -4.762 6.013) 8.529 11.638 ( 2.424 1.066 -3.823) 4.651 11.720 ( -6.438 -0.834 -0.386) 6.504 12.106 ( -1.083 -3.138 7.582) 8.277 12.450 ( -0.670 -7.564 3.126) 8.212 12.830 ( -2.290 -10.442 1.683) 10.822 13.069 ( -0.492 0.686 -7.704) 7.750 13.089 ( -0.168 4.284 -1.056) 4.416 13.257 ( 1.182 5.232 7.678) 9.366 13.395 ( 0.762 -0.103 -0.848) 1.144 13.575 ( 1.008 -2.804 1.749) 3.455 14.026 ( -0.430 -5.058 -5.879) 7.767 14.305 ( -5.727 -8.620 -5.401) 11.674 14.620 ( 2.900 -0.926 8.603) 9.126 15.258 ( 1.484 12.189 -0.445) 12.287 15.359 ( -6.044 -6.768 -2.499) 9.412 15.919 ( 3.313 6.651 -3.837) 8.362 16.521 ( 15.022 2.350 6.418) 16.504 16.806 ( 1.159 14.403 -1.477) 14.525 17.105 ( -4.234 4.946 -0.289) 6.517 17.436 ( 9.474 22.795 0.509) 24.691 18.048 ( 11.690 22.322 -0.672) 25.207 18.547 ( -10.208 3.306 3.251) 11.212 19.835 ( -0.350 -16.446 1.122) 16.488 20.082 ( -0.428 -6.340 -5.260) 8.249 20.212 ( 10.187 -14.399 0.641) 17.650 20.326 ( -8.852 -0.231 7.802) 11.802 20.574 ( -8.611 -3.625 0.094) 9.344 21.510 ( -7.930 -22.770 -4.999) 24.624 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.805 2.270 -9.821) 10.112 2.480 ( 12.698 12.629 -2.742) 18.117 2.648 ( 2.049 17.907 8.369) 19.872 3.085 ( 10.978 9.627 -11.720) 18.723 3.225 ( 1.342 2.715 1.257) 3.279 3.326 ( -3.405 -7.268 -0.646) 8.052 3.464 ( 2.353 -2.776 1.563) 3.961 3.809 ( -8.478 1.367 7.063) 11.118 3.845 ( 5.442 -1.814 2.223) 6.152 4.055 ( 6.162 10.768 2.060) 12.576 4.205 ( -5.204 -9.509 7.145) 12.983 4.376 ( -14.176 3.368 8.768) 17.006 4.483 ( 0.681 -4.536 -17.418) 18.012 4.814 ( -2.626 -13.223 -2.625) 13.735 5.115 ( -4.560 0.946 18.083) 18.673 5.268 ( 6.513 -1.552 5.069) 8.398 5.566 ( 0.351 4.470 -14.457) 15.136 5.793 ( 4.618 5.968 3.173) 8.186 6.055 ( 2.087 -3.582 -0.511) 4.177 6.144 ( -0.473 2.629 -4.287) 5.051 6.299 ( 5.783 1.093 -1.170) 6.000 6.488 ( -2.956 -2.404 -6.618) 7.636 6.843 ( -2.531 2.334 4.908) 5.995 7.068 ( -1.020 -1.389 -2.875) 3.352 7.359 ( 5.925 1.120 -1.903) 6.323 7.537 ( -3.038 -3.889 -9.635) 10.826 7.563 ( -4.001 6.315 4.121) 8.536 7.780 ( 4.758 5.177 7.384) 10.196 7.980 ( 0.889 2.443 6.723) 7.208 8.153 ( 2.970 1.026 -2.297) 3.892 8.257 ( -0.640 -5.046 4.037) 6.494 8.415 ( -1.359 1.295 -2.822) 3.390 8.561 ( -6.698 1.522 2.286) 7.239 8.720 ( 2.119 1.455 -5.173) 5.777 8.781 ( 0.271 -7.290 4.213) 8.424 8.879 ( -1.637 -2.342 1.050) 3.044 8.948 ( -3.375 -8.437 -1.485) 9.208 9.299 ( -0.701 -4.831 -1.520) 5.113 9.552 ( -5.654 -0.602 9.269) 10.874 9.792 ( -3.478 -9.537 -2.685) 10.501 9.844 ( -0.121 -2.702 -6.344) 6.896 10.245 ( 2.914 4.238 -1.493) 5.355 10.521 ( 6.678 4.922 -9.348) 12.499 10.690 ( -2.088 7.553 6.110) 9.937 10.948 ( 0.945 0.793 1.106) 1.657 11.036 ( 4.971 3.863 1.138) 6.398 11.465 ( -4.561 -7.956 2.690) 9.557 11.586 ( -4.502 -5.188 -1.041) 6.947 11.669 ( -0.395 -0.001 0.449) 0.598 12.048 ( -4.628 -7.670 5.332) 10.425 12.422 ( 0.230 -1.434 1.949) 2.430 12.667 ( -4.412 -5.104 0.888) 6.805 12.986 ( -5.028 -3.201 -0.177) 5.963 13.104 ( 0.170 -1.811 -1.464) 2.335 13.358 ( -0.430 -1.963 -4.522) 4.949 13.404 ( 4.604 5.149 4.940) 8.492 13.661 ( 4.950 7.479 -1.597) 9.110 13.951 ( -1.775 -3.618 -3.811) 5.547 14.130 ( 0.090 -9.819 -5.935) 11.474 14.677 ( -4.100 5.895 8.222) 10.916 15.190 ( 2.678 -10.017 -9.193) 13.857 15.424 ( -1.441 8.472 16.945) 18.999 16.013 ( 1.803 10.856 -9.810) 14.742 16.814 ( -0.768 11.842 -13.731) 18.148 16.922 ( 5.306 13.167 11.661) 18.371 17.181 ( 12.242 -8.862 5.253) 16.000 17.876 ( 13.749 21.627 0.034) 25.628 18.316 ( -3.758 -11.780 1.206) 12.424 18.458 ( 2.564 20.819 -1.404) 21.023 19.633 ( -3.542 -16.007 -0.289) 16.396 19.899 ( -7.241 -6.575 -2.686) 10.143 20.203 ( -10.150 2.732 5.348) 11.794 20.247 ( -0.835 -5.189 -5.527) 7.627 20.463 ( 5.152 -5.834 4.192) 8.840 21.151 ( -8.595 -15.192 -3.466) 17.795 ======================= Grid point 207 (103/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 2.960 1.669 -9.187) 9.795 2.760 ( 6.654 10.133 0.120) 12.123 2.911 ( 5.405 9.217 11.244) 15.511 3.189 ( 1.155 -6.699 -3.196) 7.511 3.258 ( 6.619 4.506 -4.419) 9.146 3.396 ( 4.425 4.244 -3.065) 6.854 3.484 ( 2.972 3.314 -1.088) 4.582 3.667 ( -9.938 -1.063 3.752) 10.676 3.833 ( -1.806 -10.762 1.346) 10.996 4.026 ( -12.133 -4.005 4.631) 13.590 4.157 ( -9.373 1.154 6.016) 11.197 4.317 ( 5.134 6.726 3.625) 9.205 4.438 ( 4.205 6.574 -11.883) 14.217 4.680 ( 4.376 -14.981 -1.461) 15.675 4.989 ( -8.481 -6.450 10.418) 14.902 5.376 ( -1.329 -3.774 2.004) 4.475 5.574 ( 4.284 4.620 -2.520) 6.786 5.891 ( -10.359 -0.436 2.702) 10.714 5.930 ( -1.336 2.796 -12.031) 12.424 6.172 ( 11.176 -2.234 1.670) 11.519 6.457 ( 0.003 2.601 -2.819) 3.835 6.502 ( 9.093 3.635 0.022) 9.793 6.869 ( -2.187 7.090 2.303) 7.769 7.023 ( -3.012 1.369 -0.945) 3.441 7.340 ( -7.453 3.551 -5.775) 10.075 7.494 ( 5.559 1.425 -0.618) 5.772 7.596 ( -3.487 2.597 2.595) 5.064 7.936 ( 6.840 -6.549 12.110) 15.374 8.084 ( 2.370 6.217 8.454) 10.758 8.155 ( 1.434 -7.066 -11.771) 13.804 8.263 ( 4.805 -2.833 0.946) 5.658 8.334 ( -2.771 -2.159 -6.244) 7.164 8.540 ( -3.334 2.363 4.379) 5.990 8.594 ( -5.939 -10.040 3.221) 12.101 8.713 ( -1.774 -5.405 -0.201) 5.692 8.784 ( 0.705 3.649 1.486) 4.003 9.004 ( 4.908 4.303 -3.915) 7.611 9.283 ( 1.060 -5.855 2.743) 6.552 9.440 ( -8.622 1.581 -7.567) 11.580 9.705 ( 1.971 -2.889 6.403) 7.296 9.835 ( 3.960 -1.414 -3.484) 5.460 10.336 ( 3.827 4.288 -1.496) 5.939 10.602 ( 0.054 4.990 -9.249) 10.509 10.711 ( -3.732 1.263 5.479) 6.749 10.996 ( 0.835 4.694 0.944) 4.860 11.130 ( -1.854 5.383 3.682) 6.781 11.395 ( 0.994 -4.297 0.426) 4.431 11.459 ( -0.102 -9.644 0.653) 9.666 11.664 ( -0.868 0.652 3.171) 3.352 11.830 ( -5.708 -11.748 -1.106) 13.108 12.417 ( -3.907 6.777 -0.298) 7.828 12.672 ( 6.777 -1.851 1.578) 7.200 12.835 ( -5.996 -8.341 2.572) 10.589 13.047 ( -1.111 -1.091 -2.827) 3.227 13.380 ( 3.387 2.758 -4.879) 6.548 13.536 ( 2.789 3.348 5.563) 7.067 13.762 ( -2.297 2.831 -6.163) 7.160 13.878 ( 0.704 -0.275 0.253) 0.797 14.076 ( 6.035 -8.376 -5.351) 11.628 14.656 ( -9.005 6.694 7.692) 13.604 15.142 ( 6.197 -11.019 -5.055) 13.615 15.526 ( -2.346 5.985 11.223) 12.934 16.137 ( 1.604 13.710 -1.880) 13.931 16.723 ( -12.985 10.457 -10.298) 19.596 17.130 ( -0.654 -1.203 13.918) 13.985 17.380 ( 17.605 -3.688 -6.760) 19.215 18.095 ( -2.366 -11.117 -0.739) 11.389 18.258 ( 3.929 16.554 1.108) 17.050 18.666 ( 4.900 5.082 -2.715) 7.564 19.456 ( -2.612 -8.730 5.195) 10.489 19.728 ( -4.460 -4.696 -4.917) 8.131 20.064 ( -9.865 4.065 -5.721) 12.107 20.124 ( -5.929 -0.768 14.174) 15.383 20.583 ( 9.910 -5.473 -5.862) 12.748 20.938 ( 0.059 -5.926 -1.515) 6.117 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -13.195 3.967 18.733) 23.255 2.333 ( -0.349 13.755 1.736) 13.869 2.550 ( -7.344 13.432 -5.064) 16.124 2.804 ( -15.938 3.408 -16.497) 23.190 3.219 ( 2.236 -1.209 -1.015) 2.737 3.368 ( -0.272 -1.738 7.185) 7.397 3.540 ( 6.360 -2.970 -2.890) 7.591 3.682 ( 1.473 6.480 18.714) 19.859 3.763 ( -1.458 6.957 -4.387) 8.352 3.960 ( -2.644 -0.963 3.040) 4.143 4.186 ( 1.437 2.270 6.903) 7.408 4.619 ( -3.719 -8.042 4.915) 10.132 4.666 ( -0.122 -0.660 1.048) 1.244 4.817 ( 0.285 0.394 0.095) 0.496 5.190 ( -3.070 -2.094 -9.878) 10.554 5.282 ( 0.519 2.730 2.866) 3.992 5.415 ( -2.533 -0.634 -10.248) 10.575 5.775 ( 12.060 0.213 2.144) 12.251 6.024 ( -5.770 -1.199 4.043) 7.147 6.152 ( -6.641 11.393 -19.932) 23.900 6.340 ( -1.450 -1.292 6.434) 6.720 6.492 ( 4.802 -5.593 -6.936) 10.122 6.936 ( 0.813 -1.968 -1.005) 2.354 7.048 ( 7.313 -2.857 1.410) 7.976 7.237 ( -2.332 1.386 3.343) 4.305 7.533 ( 0.693 5.558 -2.665) 6.203 7.554 ( -1.205 -3.034 1.553) 3.615 7.809 ( -8.720 -0.614 -2.529) 9.100 7.950 ( 6.366 -0.403 1.180) 6.487 8.083 ( 0.280 3.932 2.429) 4.630 8.319 ( -2.334 3.780 3.191) 5.470 8.493 ( 4.225 -5.486 -3.924) 7.959 8.558 ( 3.318 -1.374 -0.508) 3.627 8.689 ( -8.178 5.665 -4.307) 10.841 8.861 ( 3.426 -9.903 9.409) 14.083 9.000 ( -1.154 -0.237 -8.846) 8.924 9.138 ( 1.761 0.263 -6.381) 6.625 9.390 ( 12.471 -13.046 3.581) 18.400 9.651 ( 3.936 -0.794 10.975) 11.686 9.867 ( 5.129 -9.606 2.782) 11.239 9.919 ( 0.531 3.438 -0.064) 3.479 10.116 ( -3.838 -3.137 -5.828) 7.651 10.343 ( 2.272 0.717 -3.634) 4.346 10.807 ( -2.354 3.290 -7.041) 8.121 10.832 ( -2.584 5.323 -0.537) 5.942 11.004 ( 0.027 1.683 -1.076) 1.997 11.522 ( -0.826 -1.479 3.419) 3.815 11.652 ( -1.399 -2.894 2.210) 3.901 11.752 ( 3.224 -4.675 -0.677) 5.719 12.115 ( 1.526 0.487 6.061) 6.269 12.589 ( 10.886 -2.993 -5.756) 12.672 12.843 ( 0.821 -7.814 2.674) 8.300 12.942 ( 4.265 4.333 -1.523) 6.268 13.089 ( -4.093 3.464 -0.343) 5.373 13.211 ( -6.383 3.946 6.288) 9.791 13.490 ( 2.173 -6.193 -0.208) 6.566 13.614 ( -3.750 1.065 -4.086) 5.648 14.038 ( 6.147 -5.187 -3.732) 8.867 14.152 ( 2.088 -13.913 2.511) 14.291 14.766 ( 0.523 2.311 -0.605) 2.446 15.043 ( 10.907 3.461 7.125) 13.480 15.542 ( -5.039 9.546 -3.894) 11.475 15.795 ( -8.778 0.897 1.333) 8.924 16.443 ( 3.225 2.050 5.142) 6.406 16.794 ( -17.176 4.463 5.323) 18.528 17.243 ( 1.805 16.210 -9.417) 18.833 17.413 ( -13.146 15.005 1.098) 19.980 18.078 ( -16.678 19.671 -2.443) 25.905 18.644 ( -4.841 -3.675 -3.993) 7.272 19.766 ( 11.177 -9.983 6.948) 16.518 19.866 ( 4.987 -9.919 20.139) 22.996 20.094 ( 10.130 -7.805 -4.418) 13.530 20.296 ( -0.625 -1.583 5.422) 5.683 20.767 ( 2.038 -3.291 -6.454) 7.526 21.555 ( 15.012 -17.844 -7.772) 24.579 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 2.370 9.406 20.045) 22.269 2.420 ( -7.847 5.662 -12.552) 15.849 2.600 ( -5.534 19.140 10.278) 22.418 2.625 ( 0.642 14.839 -17.634) 23.055 3.202 ( -0.784 -2.889 0.338) 3.012 3.377 ( -0.166 -0.874 6.151) 6.215 3.585 ( 2.583 -2.156 -3.529) 4.876 3.796 ( -2.455 -1.339 5.286) 5.980 3.819 ( -1.124 8.874 -5.490) 10.496 3.954 ( 2.370 5.043 2.432) 6.079 4.280 ( 1.450 3.566 16.744) 17.181 4.472 ( -4.379 -10.847 2.842) 12.038 4.580 ( 2.503 -10.746 -5.473) 12.317 4.852 ( -0.207 4.855 6.961) 8.489 5.094 ( -1.995 -2.357 2.887) 4.228 5.304 ( -3.272 4.142 -14.013) 14.975 5.445 ( 6.435 5.944 -2.818) 9.202 5.879 ( -3.331 0.069 -15.735) 16.084 5.938 ( -6.703 1.369 1.069) 6.924 6.122 ( 4.729 5.804 0.704) 7.520 6.299 ( -0.887 -6.872 6.670) 9.618 6.520 ( 3.373 -1.534 -4.087) 5.517 6.917 ( 0.822 -8.400 0.690) 8.468 7.042 ( -3.206 2.823 -0.470) 4.298 7.249 ( -1.141 -2.110 5.899) 6.368 7.484 ( -2.021 -0.748 0.455) 2.203 7.539 ( -2.530 2.252 -5.585) 6.532 7.767 ( 2.367 3.782 0.613) 4.503 8.106 ( 4.863 2.274 4.020) 6.707 8.131 ( 4.245 3.229 -7.080) 8.864 8.291 ( -2.596 -1.980 4.210) 5.327 8.469 ( -0.109 3.142 -11.979) 12.385 8.594 ( -0.713 1.504 2.381) 2.906 8.634 ( 0.653 -3.825 -1.389) 4.121 8.841 ( -0.703 -6.379 10.376) 12.200 8.970 ( -1.043 4.187 -3.662) 5.660 9.109 ( 2.158 -7.266 -7.328) 10.543 9.406 ( 3.596 -16.817 8.120) 19.018 9.721 ( 4.961 -4.897 -3.090) 7.625 9.867 ( 4.014 -6.165 -0.628) 7.384 9.956 ( 2.547 -0.895 0.167) 2.704 10.052 ( -2.924 0.350 11.221) 11.601 10.332 ( -3.260 1.469 -7.194) 8.033 10.738 ( -1.452 3.710 -7.387) 8.393 10.876 ( -5.142 5.686 2.635) 8.106 10.990 ( 0.423 0.329 -2.183) 2.248 11.544 ( 1.944 1.583 2.461) 3.513 11.644 ( 1.582 -1.763 2.406) 3.376 11.760 ( 4.073 -4.387 -2.912) 6.657 12.137 ( -0.774 -0.427 3.946) 4.044 12.544 ( -3.494 -11.943 -3.759) 12.999 12.835 ( 3.666 -8.586 0.145) 9.337 12.993 ( 1.637 1.370 -1.466) 2.590 13.105 ( 0.076 4.821 -1.564) 5.069 13.254 ( -0.691 8.196 8.286) 11.675 13.451 ( 2.052 -4.182 -2.305) 5.198 13.530 ( -4.060 -3.727 0.888) 5.582 14.025 ( 0.942 -5.030 -6.185) 8.028 14.191 ( 11.114 -7.529 10.926) 17.309 14.675 ( -7.493 -3.119 -4.236) 9.155 15.278 ( 4.292 10.181 -0.241) 11.051 15.576 ( -1.456 4.653 -16.522) 17.227 15.670 ( -1.471 -1.006 13.623) 13.739 16.418 ( -8.670 0.416 6.924) 11.103 16.756 ( -2.682 12.700 3.287) 13.389 17.308 ( -0.514 13.193 -4.639) 13.994 17.503 ( -6.379 22.099 -3.597) 23.281 17.992 ( -14.112 20.303 0.291) 24.727 18.610 ( 7.936 -0.707 -5.022) 9.418 19.804 ( -1.443 -16.325 18.621) 24.806 19.902 ( 4.203 -4.822 3.141) 7.126 20.095 ( 2.820 -9.097 -4.320) 10.458 20.369 ( 6.804 -1.858 9.868) 12.129 20.713 ( 0.124 -5.840 -8.657) 10.443 21.518 ( 7.651 -23.146 -5.769) 25.051 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 9.139 9.637 14.818) 19.899 2.243 ( -7.762 8.746 -19.996) 23.164 2.754 ( -1.559 16.230 3.409) 16.658 2.826 ( 2.637 19.760 -4.066) 20.346 3.173 ( -0.082 -0.174 1.357) 1.370 3.382 ( 0.797 -3.891 3.391) 5.222 3.521 ( -4.607 -6.106 -2.811) 8.149 3.725 ( -0.331 0.744 -0.860) 1.185 3.907 ( 1.290 8.304 -3.122) 8.965 4.009 ( -1.874 2.992 1.052) 3.684 4.297 ( -0.398 -10.268 -8.172) 13.129 4.384 ( 2.357 -6.564 8.631) 11.097 4.560 ( 4.115 -6.702 4.507) 9.065 4.957 ( 1.086 6.105 13.083) 14.478 5.144 ( -0.038 4.465 8.891) 9.949 5.222 ( -3.819 4.722 -8.390) 10.358 5.553 ( 4.388 -3.894 -0.607) 5.898 5.702 ( -7.052 4.700 -15.196) 17.399 5.918 ( 2.569 6.365 -1.726) 7.078 6.177 ( -3.923 -11.844 10.790) 16.495 6.274 ( 1.180 2.063 -1.730) 2.939 6.524 ( 1.608 -0.888 -6.696) 6.944 6.834 ( 0.929 -6.978 2.642) 7.519 7.059 ( 0.648 2.182 -2.501) 3.381 7.196 ( -0.334 -4.755 1.839) 5.109 7.492 ( 1.246 1.670 3.421) 4.005 7.540 ( 1.213 2.372 -2.538) 3.680 7.874 ( 2.593 7.678 0.151) 8.105 8.063 ( -7.721 1.831 -6.918) 10.527 8.178 ( -1.327 4.370 -3.694) 5.874 8.365 ( 4.320 0.421 8.208) 9.285 8.475 ( -1.503 -0.957 -4.847) 5.164 8.536 ( -1.189 3.425 -5.914) 6.937 8.638 ( 3.041 -3.470 7.046) 8.422 8.833 ( -0.865 -0.186 8.946) 8.990 8.957 ( -3.410 -4.297 -0.706) 5.531 9.048 ( 0.317 -1.534 -4.269) 4.547 9.270 ( 1.850 -19.689 1.267) 19.816 9.719 ( 2.767 -4.508 -5.181) 7.404 9.865 ( -1.423 -3.951 0.454) 4.224 9.927 ( -7.808 1.765 4.685) 9.275 10.088 ( 7.227 -5.721 1.384) 9.320 10.283 ( 0.580 2.722 -3.950) 4.832 10.758 ( 1.668 3.098 -3.287) 4.816 10.864 ( -2.603 8.240 1.766) 8.820 10.983 ( -1.031 -1.392 0.969) 1.986 11.618 ( 2.020 2.782 1.655) 3.816 11.657 ( -1.508 -1.388 1.542) 2.565 11.756 ( 1.037 -3.416 -3.951) 5.324 12.119 ( -1.926 -1.959 4.151) 4.978 12.334 ( -0.187 -16.871 -0.144) 16.872 12.790 ( -0.569 -3.440 2.073) 4.056 13.014 ( 1.785 -1.297 -8.095) 8.390 13.140 ( -0.465 3.581 -0.611) 3.662 13.320 ( -1.050 0.100 4.054) 4.189 13.446 ( -2.932 -0.256 6.096) 6.770 13.506 ( 4.431 2.895 1.677) 5.552 13.957 ( -0.580 -5.142 -3.315) 6.145 14.317 ( -1.366 -4.246 0.495) 4.488 14.546 ( 3.779 -1.808 3.900) 5.723 15.313 ( -8.125 0.251 -16.562) 18.449 15.461 ( -1.189 4.908 6.822) 8.488 15.864 ( 9.510 6.034 -1.983) 11.436 16.345 ( 2.159 -1.314 1.383) 2.881 16.893 ( 1.965 8.832 11.043) 14.276 17.387 ( -11.365 16.346 -9.496) 22.058 17.563 ( -0.293 18.705 0.122) 18.708 18.126 ( 3.325 20.115 1.664) 20.456 18.735 ( 0.969 4.223 -0.418) 4.353 19.627 ( -0.994 -18.099 5.759) 19.019 19.945 ( 5.619 -5.780 -1.987) 8.303 19.985 ( 0.203 -14.760 -2.684) 15.004 20.482 ( 0.009 -0.575 16.631) 16.641 20.596 ( -3.137 -2.797 -11.858) 12.581 21.336 ( -0.009 -21.144 -2.862) 21.337 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -5.074 5.163 -3.857) 8.203 2.351 ( 11.336 12.923 -6.029) 18.217 2.894 ( -1.795 13.439 7.511) 15.500 3.016 ( 3.148 13.839 -6.925) 15.792 3.227 ( 1.702 4.338 0.834) 4.734 3.310 ( -3.689 -9.137 1.272) 9.935 3.393 ( 1.064 -3.685 -2.568) 4.616 3.747 ( 2.612 -4.497 1.263) 5.351 3.970 ( -4.565 0.538 -1.792) 4.933 4.016 ( 3.847 5.727 0.482) 6.916 4.228 ( 4.709 -3.640 -8.907) 10.712 4.334 ( -1.612 -3.992 2.783) 5.127 4.582 ( -0.968 -1.606 6.699) 6.956 4.869 ( -14.489 -7.208 0.837) 16.204 5.184 ( 5.596 2.279 3.876) 7.179 5.303 ( -4.949 3.760 12.509) 13.968 5.520 ( 1.307 1.154 -8.446) 8.624 5.741 ( 6.222 4.919 -3.536) 8.684 5.983 ( -4.163 -11.768 6.660) 14.148 6.135 ( 10.293 9.515 4.646) 14.767 6.269 ( -2.517 0.057 -3.501) 4.312 6.467 ( -1.987 -3.002 -7.903) 8.684 6.855 ( 3.902 -1.313 2.983) 5.084 7.056 ( -0.589 0.217 -2.139) 2.229 7.209 ( 6.580 -3.675 -0.202) 7.539 7.515 ( -0.785 -0.652 -7.010) 7.084 7.606 ( 2.753 3.213 5.786) 7.168 7.945 ( -6.019 4.526 -0.114) 7.531 8.005 ( 1.859 10.322 -0.759) 10.515 8.179 ( -3.771 4.158 0.401) 5.628 8.274 ( -5.413 -7.019 1.883) 9.062 8.439 ( -1.920 -0.571 -2.564) 3.254 8.640 ( 5.461 4.664 -8.754) 11.323 8.700 ( 0.064 2.854 10.407) 10.792 8.779 ( -6.501 -4.696 -1.081) 8.092 8.892 ( -5.912 -15.884 -1.613) 17.025 8.906 ( 1.472 2.111 7.880) 8.289 9.220 ( 4.030 -3.092 -1.615) 5.330 9.679 ( -3.901 -2.544 10.427) 11.420 9.762 ( -3.214 -4.016 0.157) 5.146 9.805 ( -4.793 -3.401 -9.487) 11.160 10.162 ( 6.252 -2.409 -3.105) 7.385 10.380 ( 7.974 2.488 -2.959) 8.861 10.807 ( 2.152 0.722 -1.910) 2.966 10.942 ( -2.364 5.519 1.522) 6.194 11.007 ( 5.837 5.870 3.745) 9.086 11.523 ( -8.294 -4.915 1.194) 9.715 11.649 ( -6.774 -1.672 -3.562) 7.834 11.687 ( -0.365 0.729 1.309) 1.542 12.061 ( -2.802 -6.631 4.612) 8.550 12.270 ( 8.043 -10.309 1.482) 13.159 12.760 ( -4.118 1.686 1.694) 4.761 12.988 ( 0.491 -1.930 -3.613) 4.126 13.110 ( -2.766 -2.213 0.970) 3.673 13.333 ( 0.858 -0.575 -3.160) 3.325 13.440 ( -1.633 2.932 7.051) 7.809 13.641 ( 5.243 5.217 1.997) 7.661 13.898 ( 0.371 -3.547 -0.671) 3.629 14.116 ( -8.859 -5.657 -6.557) 12.388 14.724 ( 7.111 2.226 7.864) 10.834 15.072 ( -4.102 -5.831 -16.255) 17.750 15.579 ( -0.931 7.347 12.181) 14.255 15.998 ( 4.578 4.929 -5.926) 8.965 16.556 ( 19.804 4.279 -8.470) 21.960 17.031 ( 3.170 -5.385 16.016) 17.192 17.274 ( -13.877 17.747 -5.510) 23.192 17.845 ( 10.233 17.610 -3.206) 20.618 18.322 ( -1.938 3.593 3.257) 5.223 18.707 ( -7.354 9.956 1.046) 12.422 19.484 ( 1.416 -15.516 0.361) 15.585 19.808 ( 0.535 -14.077 -7.244) 15.840 20.013 ( 9.853 -4.006 -6.975) 12.720 20.460 ( -3.171 -7.091 -0.926) 7.822 20.484 ( -10.055 6.559 10.760) 16.122 21.113 ( -4.554 -13.113 0.171) 13.882 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -2.702 6.709 -5.282) 8.956 2.651 ( 12.910 6.376 0.535) 14.408 3.028 ( -0.926 8.178 8.850) 12.085 3.088 ( -0.115 -10.597 0.297) 10.602 3.186 ( 3.201 8.317 -9.167) 12.785 3.355 ( 3.696 4.145 -2.919) 6.274 3.436 ( 5.352 2.850 1.526) 6.253 3.720 ( 1.421 -8.161 2.133) 8.554 3.832 ( -8.218 -3.444 -3.261) 9.489 4.138 ( 5.013 -2.190 5.846) 8.006 4.237 ( 3.436 -3.534 -13.056) 13.955 4.308 ( -6.828 -1.967 3.777) 8.048 4.485 ( -8.057 7.914 -6.483) 13.023 4.622 ( -6.580 -2.842 11.654) 13.682 5.170 ( -8.018 -0.425 4.282) 9.100 5.366 ( 4.099 0.368 11.620) 12.328 5.517 ( -1.574 -1.458 -5.822) 6.204 5.794 ( 4.200 -7.955 -4.916) 10.251 5.986 ( 7.394 5.556 -6.806) 11.483 6.121 ( -8.626 -3.473 -1.344) 9.396 6.407 ( 5.821 5.647 4.790) 9.419 6.470 ( 3.966 3.023 5.324) 7.295 6.916 ( 2.645 0.041 -0.214) 2.653 7.072 ( 0.537 5.240 -0.323) 5.278 7.300 ( 6.766 -5.649 -4.346) 9.827 7.467 ( 0.496 4.235 -4.068) 5.893 7.679 ( -1.364 0.057 7.808) 7.927 7.928 ( -1.691 0.675 6.534) 6.783 8.053 ( -1.351 -0.044 -10.605) 10.690 8.146 ( -1.124 2.970 0.410) 3.202 8.238 ( -1.548 5.808 5.041) 7.845 8.323 ( -4.186 -3.638 -6.625) 8.640 8.515 ( -5.870 -16.326 -2.787) 17.572 8.716 ( -2.401 -4.971 -0.313) 5.529 8.743 ( -2.066 8.656 3.375) 9.518 8.773 ( 1.718 2.355 1.012) 3.086 8.999 ( 0.756 3.656 6.741) 7.705 9.231 ( 0.423 -3.688 2.412) 4.427 9.578 ( -8.144 1.362 -9.713) 12.748 9.684 ( 0.080 -5.210 9.146) 10.526 9.742 ( 2.053 0.428 -1.946) 2.861 10.240 ( 7.069 -1.742 -2.571) 7.721 10.538 ( 7.525 3.034 -3.916) 9.009 10.796 ( -2.681 -2.604 0.240) 3.745 10.988 ( 2.849 3.828 0.744) 4.829 11.234 ( 7.585 9.116 3.909) 12.487 11.363 ( -3.683 -3.337 0.246) 4.976 11.449 ( -9.974 -2.672 -3.469) 10.893 11.687 ( -1.733 0.561 -0.130) 1.826 11.881 ( -10.316 -10.517 3.799) 15.214 12.377 ( 10.101 -3.032 1.929) 10.721 12.699 ( -6.480 6.543 -1.472) 9.325 12.909 ( -7.691 -7.017 5.311) 11.688 13.055 ( -0.987 0.960 -1.968) 2.402 13.310 ( 2.613 -0.409 -3.677) 4.529 13.531 ( 3.739 2.240 6.338) 7.692 13.766 ( 1.658 2.680 -4.218) 5.265 13.886 ( 2.327 -3.017 -2.150) 4.374 13.935 ( -2.911 -2.302 -0.040) 3.712 14.802 ( 0.223 -2.357 -0.505) 2.421 14.987 ( 1.504 1.471 -6.652) 6.977 15.631 ( -2.957 -0.609 13.636) 13.966 16.154 ( 8.675 9.372 -9.308) 15.803 16.880 ( 7.748 6.227 -14.178) 17.316 16.989 ( 3.178 -13.311 8.292) 16.001 17.289 ( -1.719 11.978 8.874) 15.006 18.105 ( -4.590 -4.197 -0.645) 6.253 18.249 ( 7.478 11.734 -0.219) 13.916 18.709 ( -3.862 1.106 -1.519) 4.295 19.413 ( 1.612 -2.427 2.723) 3.988 19.657 ( -0.229 -11.510 -6.693) 13.316 20.088 ( 2.463 -2.361 -13.254) 13.686 20.351 ( -0.744 -9.941 11.353) 15.109 20.422 ( -6.550 10.375 2.858) 12.598 20.944 ( -5.590 -3.077 1.531) 6.562 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -17.470 0.510 9.946) 20.109 2.381 ( 2.569 12.547 -6.116) 14.193 2.888 ( -9.390 12.282 6.515) 16.777 3.043 ( -10.885 3.044 -9.768) 14.939 3.210 ( -2.128 0.150 3.337) 3.961 3.349 ( 1.744 -5.980 -5.109) 8.056 3.367 ( 5.685 1.021 1.116) 5.883 3.734 ( 3.446 0.583 6.780) 7.628 3.873 ( -0.796 2.541 6.595) 7.113 4.028 ( -4.327 3.782 3.818) 6.900 4.129 ( 7.250 0.742 2.070) 7.576 4.411 ( 4.874 -6.092 -6.861) 10.389 4.645 ( 1.151 -2.578 -2.449) 3.737 4.870 ( -0.801 -10.725 1.556) 10.867 5.217 ( 2.809 1.078 -3.009) 4.255 5.388 ( -4.977 6.089 0.569) 7.884 5.471 ( -8.467 1.393 -0.588) 8.601 5.663 ( 1.380 3.192 6.218) 7.125 6.033 ( 2.632 -12.131 0.797) 12.439 6.244 ( 6.599 0.628 -5.747) 8.773 6.307 ( -4.006 5.323 -12.707) 14.348 6.400 ( -0.785 4.302 -1.516) 4.629 6.866 ( 3.838 1.230 1.451) 4.284 7.013 ( -2.864 0.541 4.353) 5.238 7.225 ( 8.748 2.793 -2.575) 9.537 7.434 ( 0.356 -1.992 4.693) 5.111 7.697 ( -4.224 4.311 -6.692) 9.012 7.890 ( -1.810 1.832 6.636) 7.118 8.027 ( -9.225 1.915 -3.282) 9.977 8.163 ( -4.850 2.143 3.198) 6.192 8.297 ( 6.258 -8.721 -0.847) 10.767 8.410 ( -2.339 -3.572 1.183) 4.430 8.536 ( 0.110 7.371 7.567) 10.564 8.744 ( 2.542 -8.756 3.524) 9.775 8.826 ( -2.439 0.216 -6.117) 6.589 8.889 ( 6.997 -12.994 -4.523) 15.436 9.025 ( 1.283 3.817 -9.361) 10.191 9.211 ( 2.154 3.916 -1.062) 4.594 9.654 ( 0.410 -2.574 11.588) 11.878 9.713 ( 1.983 -8.084 3.003) 8.849 9.873 ( -0.231 -4.414 -11.375) 12.203 10.132 ( 4.282 3.652 0.727) 5.675 10.355 ( -0.829 5.447 0.859) 5.576 10.791 ( 4.188 2.726 0.600) 5.034 10.956 ( -2.809 -0.467 -0.098) 2.849 11.042 ( -3.538 9.085 -2.468) 10.057 11.505 ( 0.286 -7.210 4.928) 8.738 11.624 ( -1.360 -8.462 -1.555) 8.711 11.699 ( -1.973 0.092 0.615) 2.069 12.071 ( 4.713 -3.284 3.072) 6.514 12.320 ( 13.471 0.544 -6.149) 14.818 12.778 ( -3.525 -4.700 -0.901) 5.944 12.962 ( 0.577 4.618 -0.364) 4.668 13.138 ( 0.295 -2.942 -3.324) 4.449 13.285 ( 1.481 -1.964 4.460) 5.093 13.469 ( -4.700 1.488 2.554) 5.552 13.709 ( -3.982 3.850 -8.779) 10.380 13.906 ( 2.615 -3.145 -0.898) 4.188 14.044 ( -0.919 -9.870 4.219) 10.773 14.771 ( 4.099 4.284 1.182) 6.046 14.897 ( 6.613 -1.690 10.705) 12.696 15.732 ( -4.884 10.285 -10.731) 15.646 15.931 ( -5.601 -0.730 3.311) 6.547 16.451 ( 6.543 14.144 7.610) 17.343 17.092 ( -5.009 -3.261 7.262) 9.405 17.324 ( -9.369 6.470 -14.003) 18.048 17.800 ( -10.699 15.560 3.669) 19.237 18.375 ( -4.834 1.085 -5.086) 7.100 18.714 ( -10.617 -3.111 0.115) 11.064 19.484 ( 11.846 -5.999 0.540) 13.290 19.710 ( 14.020 -3.943 8.954) 17.096 19.910 ( 4.343 -0.969 8.203) 9.332 20.342 ( 0.217 -0.245 9.519) 9.524 20.695 ( -4.840 -5.653 -14.507) 16.304 21.150 ( 9.572 -11.288 -5.542) 15.803 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -5.385 5.391 15.095) 16.909 2.522 ( -0.331 13.229 -7.329) 15.127 2.796 ( -12.377 9.538 -14.365) 21.225 2.936 ( -5.626 16.095 12.013) 20.857 3.221 ( -1.166 1.624 1.963) 2.802 3.334 ( 3.874 -4.883 -1.753) 6.475 3.480 ( 5.133 0.321 -1.511) 5.360 3.817 ( 0.623 -1.985 3.835) 4.363 3.890 ( 0.052 0.116 -1.538) 1.543 4.045 ( -2.528 12.100 3.581) 12.870 4.278 ( 4.244 -2.566 11.422) 12.452 4.325 ( 1.873 -10.214 -10.303) 14.628 4.466 ( -6.334 -11.748 -3.979) 13.927 4.801 ( 5.577 -8.506 -1.001) 10.220 5.251 ( -1.514 -1.441 2.046) 2.925 5.335 ( -3.924 7.265 -8.410) 11.786 5.446 ( -1.350 5.620 2.361) 6.244 5.772 ( 4.684 -1.124 5.400) 7.236 6.030 ( 1.302 -0.084 4.659) 4.839 6.181 ( -2.317 -3.210 -8.600) 9.467 6.294 ( -2.860 5.727 -1.967) 6.697 6.456 ( 1.973 1.980 -1.949) 3.407 6.878 ( -2.742 -1.942 -0.293) 3.373 7.025 ( 1.388 -1.611 3.800) 4.354 7.343 ( -1.138 6.756 0.816) 6.899 7.440 ( 2.657 -7.318 4.276) 8.883 7.628 ( -6.842 3.045 -4.693) 8.839 7.855 ( -3.669 8.123 -4.630) 10.044 8.014 ( 5.421 3.449 5.160) 8.241 8.122 ( -0.684 -0.252 -1.742) 1.888 8.293 ( 2.331 -2.949 -3.495) 5.132 8.389 ( 3.278 -5.097 2.445) 6.534 8.611 ( -4.347 0.850 -1.468) 4.666 8.653 ( -1.476 2.090 0.549) 2.617 8.820 ( 2.762 -2.598 -0.817) 3.879 8.888 ( 7.180 -9.329 -0.275) 11.775 9.000 ( 0.627 -4.716 -9.464) 10.592 9.271 ( 0.540 -0.050 2.659) 2.713 9.592 ( 0.627 -12.201 5.180) 13.270 9.767 ( 4.137 -0.615 4.745) 6.325 9.816 ( 3.865 -4.070 -7.273) 9.187 10.208 ( -1.549 5.183 5.016) 7.377 10.427 ( -2.897 6.508 4.631) 8.496 10.777 ( -5.082 0.344 -6.827) 8.517 10.950 ( 2.540 3.714 0.185) 4.503 11.057 ( -5.444 6.257 -1.663) 8.459 11.478 ( 4.070 -6.698 0.021) 7.837 11.564 ( 4.151 -5.043 1.897) 6.802 11.679 ( -0.228 -1.314 -0.677) 1.496 12.090 ( 4.088 -7.697 -0.777) 8.750 12.466 ( 0.937 -3.626 -5.030) 6.271 12.670 ( 3.150 -5.888 0.421) 6.691 12.983 ( -0.373 -0.688 -0.817) 1.132 13.112 ( 1.678 -3.064 -2.609) 4.360 13.301 ( 1.306 -3.082 4.846) 5.890 13.443 ( -3.425 6.754 0.953) 7.633 13.648 ( -5.514 5.522 -1.043) 7.874 13.937 ( 2.055 -3.781 -1.614) 4.596 14.027 ( 6.745 -3.982 10.166) 12.833 14.763 ( -6.665 -0.583 -4.963) 8.330 15.103 ( 14.488 -0.165 4.189) 15.082 15.644 ( -5.621 2.024 -17.422) 18.418 15.881 ( -9.344 8.922 10.920) 16.916 16.648 ( -8.747 5.162 12.832) 16.365 16.971 ( -5.738 12.552 1.920) 13.934 17.307 ( 6.150 3.376 -13.041) 14.808 17.865 ( -8.553 23.641 1.492) 25.185 18.346 ( 8.801 -9.307 -3.410) 13.255 18.448 ( -17.973 8.668 0.273) 19.956 19.621 ( 10.650 -8.478 2.357) 13.815 19.881 ( 7.806 -9.201 -0.526) 12.077 20.008 ( -4.892 -0.270 19.830) 20.426 20.299 ( -0.287 -0.787 0.515) 0.983 20.573 ( 4.354 -6.434 -11.107) 13.555 21.151 ( 8.453 -15.771 -3.659) 18.264 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.915 7.215 12.916) 15.590 2.464 ( -12.203 11.335 -8.000) 18.476 2.828 ( 2.389 15.248 -10.415) 18.619 3.080 ( -2.592 13.937 11.050) 17.974 3.232 ( -2.407 7.361 1.808) 7.953 3.335 ( 1.459 -5.048 -2.140) 5.674 3.495 ( -1.112 -4.554 -2.060) 5.120 3.714 ( -1.455 -5.350 -2.063) 5.916 3.978 ( 3.254 5.266 -0.254) 6.196 4.055 ( -5.754 4.446 -6.573) 9.802 4.163 ( -1.102 -15.704 -2.275) 15.907 4.317 ( 6.113 -7.231 -1.788) 9.636 4.372 ( 1.482 -0.869 3.102) 3.546 4.932 ( 10.825 -0.060 8.326) 13.657 5.177 ( 1.703 -6.672 -8.291) 10.777 5.374 ( -3.751 12.203 4.869) 13.663 5.468 ( 0.125 -2.563 -1.007) 2.756 5.767 ( -4.584 0.834 1.088) 4.785 5.948 ( -2.522 -7.147 1.351) 7.699 6.218 ( -1.104 -0.100 2.084) 2.361 6.309 ( -1.413 9.554 5.959) 11.348 6.476 ( 0.802 1.463 -5.835) 6.069 6.793 ( -2.769 -2.991 -0.936) 4.182 7.022 ( 1.083 -2.934 1.952) 3.686 7.255 ( -7.739 -4.274 0.093) 8.841 7.485 ( 2.609 2.169 3.482) 4.862 7.550 ( -1.651 1.955 -2.500) 3.577 7.949 ( 0.605 12.418 -4.004) 13.062 8.107 ( 2.195 1.148 -9.651) 9.964 8.192 ( 2.394 4.324 1.458) 5.153 8.307 ( 3.911 -0.530 6.029) 7.206 8.446 ( 6.331 -5.356 -0.142) 8.294 8.486 ( -3.101 1.851 -8.903) 9.607 8.676 ( -2.055 1.060 6.500) 6.899 8.815 ( 2.073 -7.387 1.773) 7.874 8.932 ( -1.010 -0.476 -1.208) 1.645 8.952 ( 10.089 -11.079 -2.174) 15.141 9.189 ( -9.332 -0.758 3.979) 10.173 9.566 ( 6.346 -5.227 -4.267) 9.262 9.829 ( 3.404 -2.096 1.965) 4.454 9.862 ( 6.170 -3.997 -0.294) 7.357 10.181 ( -9.689 3.357 3.158) 10.729 10.398 ( -7.836 4.998 6.073) 11.103 10.711 ( 0.484 -0.282 -5.502) 5.531 10.944 ( -2.116 -0.759 -2.484) 3.350 11.068 ( -2.180 7.243 1.677) 7.748 11.542 ( 9.052 -4.126 1.048) 10.003 11.622 ( 4.500 -1.324 -1.858) 5.046 11.670 ( 0.948 -0.087 -1.273) 1.589 12.055 ( 3.864 -12.660 -2.564) 13.482 12.283 ( -9.182 -5.918 1.669) 11.051 12.754 ( 4.763 0.977 -1.188) 5.005 12.941 ( 0.446 -3.642 -3.993) 5.423 13.124 ( 3.582 -3.870 1.376) 5.449 13.319 ( -0.301 -0.339 3.942) 3.968 13.473 ( -0.417 5.349 -0.650) 5.404 13.618 ( -5.311 5.571 5.129) 9.249 13.915 ( 0.699 -3.129 0.771) 3.298 14.223 ( 10.267 -0.144 9.080) 13.707 14.559 ( -8.264 -3.729 -7.132) 11.535 15.365 ( 7.571 0.003 -1.912) 7.809 15.449 ( -4.475 -0.292 -13.785) 14.496 15.872 ( -4.367 9.940 5.423) 12.136 16.460 ( -13.179 -1.931 4.728) 14.134 17.030 ( -3.915 8.593 2.553) 9.782 17.511 ( 8.939 10.192 -2.169) 13.729 17.879 ( -13.328 16.737 -2.987) 21.603 18.288 ( -0.131 4.553 0.935) 4.650 18.572 ( 11.563 5.554 0.507) 12.838 19.647 ( -3.665 -9.505 4.151) 11.001 19.779 ( -1.662 -7.871 -10.718) 13.401 19.883 ( -3.821 -10.269 10.416) 15.118 20.364 ( 7.698 -8.124 -3.741) 11.800 20.621 ( 2.958 5.707 2.388) 6.857 21.107 ( 4.725 -13.491 0.060) 14.294 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 2.580 0.579 7.603) 8.050 2.409 ( -5.138 19.006 -7.946) 21.231 2.948 ( 3.224 4.010 -4.511) 6.842 3.142 ( -4.056 6.085 -4.978) 8.846 3.277 ( 0.714 -3.310 3.723) 5.033 3.332 ( -2.088 12.037 2.770) 12.527 3.358 ( -5.014 -6.518 1.147) 8.303 3.675 ( 1.312 -5.437 0.945) 5.672 3.974 ( -1.404 -2.193 -8.382) 8.777 4.016 ( 1.690 -6.585 -0.961) 6.866 4.097 ( 2.638 5.168 -6.651) 8.826 4.290 ( 1.910 -7.812 1.205) 8.132 4.492 ( 8.607 2.633 2.632) 9.378 5.060 ( -8.915 -5.327 -4.123) 11.174 5.103 ( 4.460 -2.122 5.344) 7.277 5.440 ( 1.934 -1.412 4.337) 4.954 5.473 ( 3.174 5.300 -2.173) 6.548 5.712 ( -4.033 4.855 1.369) 6.458 5.899 ( 4.048 -12.932 12.293) 18.296 6.233 ( -4.022 12.586 8.401) 15.658 6.321 ( -4.807 2.584 -3.275) 6.365 6.439 ( -1.642 -1.732 -8.853) 9.169 6.792 ( 3.271 0.801 1.702) 3.773 7.014 ( 1.391 -5.300 1.897) 5.798 7.138 ( -0.946 0.361 -3.831) 3.962 7.492 ( -0.390 -0.654 -5.089) 5.145 7.627 ( 3.047 4.517 7.770) 9.490 7.986 ( -1.625 3.923 -7.415) 8.545 8.150 ( -1.646 5.565 -2.627) 6.371 8.246 ( 0.782 4.992 -2.762) 5.758 8.274 ( -2.586 -6.631 -0.039) 7.118 8.450 ( 0.332 -1.302 0.555) 1.454 8.567 ( 4.794 4.160 -8.659) 10.736 8.689 ( 0.318 -4.057 6.427) 7.607 8.761 ( 0.782 -14.254 2.947) 14.577 8.905 ( -2.582 0.688 5.099) 5.757 8.950 ( 0.714 1.807 5.237) 5.586 9.149 ( 0.628 4.588 0.108) 4.632 9.628 ( 5.263 0.131 -2.885) 6.003 9.812 ( -3.616 -1.109 -2.441) 4.502 9.950 ( 8.185 -7.324 -2.269) 11.215 9.986 ( -13.312 0.830 4.463) 14.064 10.365 ( -2.610 4.372 4.129) 6.555 10.718 ( 3.206 -1.708 -4.267) 5.604 10.929 ( 1.704 -1.239 -0.638) 2.201 11.093 ( -0.977 5.129 -0.225) 5.226 11.607 ( -3.958 -3.590 -0.265) 5.350 11.666 ( 4.372 1.258 -3.935) 6.015 11.707 ( 1.338 2.778 2.422) 3.921 12.003 ( 7.134 -9.808 -1.143) 12.182 12.107 ( -6.398 -5.263 4.483) 9.420 12.825 ( 0.894 4.435 1.656) 4.817 12.929 ( 2.488 -0.815 -3.898) 4.696 13.122 ( -0.409 -4.228 2.476) 4.916 13.315 ( -0.774 0.825 -1.671) 2.018 13.517 ( -0.284 1.598 2.051) 2.615 13.616 ( 0.206 -0.463 7.288) 7.306 13.915 ( -1.368 2.589 3.298) 4.410 14.204 ( -9.001 -4.981 -5.258) 11.553 14.589 ( 11.676 0.845 4.398) 12.505 15.095 ( -12.739 -2.795 -19.820) 23.726 15.625 ( 8.678 3.484 4.983) 10.596 15.993 ( 1.137 6.836 1.981) 7.207 16.307 ( 3.472 -1.772 -3.956) 5.554 17.038 ( -1.851 -1.911 7.869) 8.306 17.614 ( -9.157 9.526 -5.868) 14.458 17.867 ( 1.774 9.945 0.713) 10.127 18.418 ( 1.628 7.355 2.451) 7.922 18.764 ( 5.391 -1.616 0.772) 5.680 19.420 ( -8.058 -4.686 1.284) 9.409 19.626 ( -0.298 -12.199 -9.838) 15.675 19.841 ( 4.143 -3.958 -0.107) 5.731 20.362 ( 4.105 -6.289 -8.593) 11.413 20.708 ( -3.579 3.481 11.945) 12.946 21.069 ( 0.244 -3.028 2.592) 3.993 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -2.357 0.738 5.885) 6.383 2.551 ( 3.701 13.345 -8.032) 16.009 2.950 ( 1.735 -11.681 -7.678) 14.085 3.100 ( -0.642 -1.705 4.719) 5.059 3.221 ( -1.131 -2.703 2.957) 4.163 3.321 ( 1.424 6.123 -1.675) 6.505 3.475 ( 0.613 12.061 3.499) 12.573 3.637 ( 1.018 -6.082 1.361) 6.315 3.861 ( -2.874 -5.971 -7.342) 9.891 4.002 ( 2.526 -5.098 -1.909) 6.002 4.169 ( 2.757 2.912 -3.287) 5.185 4.257 ( 3.580 -8.447 -3.338) 9.763 4.685 ( -2.200 6.365 -1.676) 6.940 4.793 ( -8.113 0.202 6.976) 10.702 5.108 ( 2.937 -6.987 -2.557) 7.998 5.434 ( -2.591 -3.472 5.265) 6.819 5.585 ( 4.983 0.692 -1.503) 5.251 5.689 ( -9.202 4.374 7.129) 12.435 5.963 ( 4.330 4.531 2.487) 6.742 6.129 ( -4.274 -3.794 -7.983) 9.818 6.392 ( 1.626 0.659 -2.081) 2.721 6.480 ( 6.260 8.925 12.109) 16.293 6.857 ( 2.035 0.545 1.265) 2.457 7.031 ( 6.456 -3.456 1.710) 7.520 7.160 ( 2.111 2.112 -4.757) 5.616 7.460 ( 0.180 0.173 -3.597) 3.605 7.757 ( 1.359 5.301 7.697) 9.444 7.955 ( -4.510 -2.936 1.183) 5.510 8.033 ( -1.562 -4.003 -6.424) 7.729 8.228 ( -3.762 2.340 -10.606) 11.494 8.293 ( 1.819 -2.858 -3.340) 4.758 8.357 ( -3.975 -7.093 3.794) 8.972 8.547 ( -7.364 2.181 0.887) 7.731 8.670 ( 2.849 3.139 -7.374) 8.506 8.700 ( 0.633 -2.215 1.523) 2.762 8.941 ( -4.042 8.331 5.421) 10.729 9.045 ( 2.067 -0.099 9.617) 9.837 9.211 ( 1.713 3.355 3.464) 5.117 9.661 ( -8.328 -2.067 -10.279) 13.390 9.726 ( -2.095 3.953 -1.651) 4.768 9.770 ( -3.612 -1.287 11.971) 12.571 10.053 ( 8.965 -5.613 -0.852) 10.611 10.443 ( 4.715 4.328 0.439) 6.415 10.737 ( 3.053 -3.368 -3.223) 5.572 10.957 ( 3.291 -0.393 -1.229) 3.535 11.158 ( 4.999 -0.405 -0.084) 5.016 11.440 ( -8.593 -2.535 -1.485) 9.081 11.653 ( -6.752 6.510 -4.376) 10.349 11.751 ( -3.432 3.032 1.322) 4.767 11.929 ( -4.185 -8.176 1.630) 9.329 12.165 ( 11.530 -0.175 4.049) 12.221 12.871 ( -3.992 7.836 -0.789) 8.830 12.951 ( -0.276 -3.752 5.003) 6.260 13.085 ( -1.576 2.081 -1.153) 2.854 13.271 ( -0.772 -2.031 -2.535) 3.339 13.529 ( 0.490 0.221 6.801) 6.822 13.688 ( 6.774 -4.017 3.412) 8.583 13.880 ( -8.604 -1.835 -2.756) 9.219 14.019 ( -3.830 2.280 1.202) 4.616 14.715 ( 0.707 -3.951 -6.725) 7.831 14.926 ( 5.384 2.901 -12.230) 13.674 15.768 ( -3.832 0.089 16.133) 16.582 16.003 ( 6.307 0.640 -6.076) 8.781 16.563 ( 20.141 4.318 -12.565) 24.129 16.979 ( -3.118 -9.182 11.622) 15.136 17.479 ( -7.812 1.890 -1.804) 8.237 18.048 ( 8.448 4.827 -2.686) 10.093 18.389 ( -10.519 2.274 4.458) 11.649 18.722 ( -2.430 -8.790 0.681) 9.144 19.381 ( 4.458 -0.538 -0.307) 4.501 19.502 ( 0.274 -5.447 -7.927) 9.622 19.916 ( 6.999 1.290 -8.069) 10.759 20.322 ( -0.199 -3.393 -2.216) 4.058 20.654 ( -8.350 -1.037 10.469) 13.431 21.078 ( -4.714 9.238 3.758) 11.031 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -0.000 0.000 34.529) 34.529 1.426 ( -0.000 0.000 34.529) 34.529 2.470 ( 0.000 -0.000 -20.611) 20.611 2.470 ( 0.000 -0.000 -20.611) 20.611 2.663 ( -0.000 0.000 63.866) 63.866 3.452 ( 0.000 -0.000 -0.748) 0.748 3.688 ( -0.000 0.000 5.314) 5.314 3.713 ( -0.000 0.000 0.495) 0.495 3.713 ( -0.000 0.000 0.495) 0.495 3.874 ( 0.000 -0.000 -2.977) 2.977 3.874 ( 0.000 -0.000 -2.977) 2.977 4.630 ( 0.000 -0.000 -6.687) 6.687 4.630 ( 0.000 -0.000 -6.687) 6.687 4.941 ( 0.000 -0.000 -17.768) 17.768 5.198 ( 0.000 -0.000 -21.537) 21.537 5.424 ( -0.000 0.000 4.358) 4.358 5.424 ( -0.000 0.000 4.358) 4.358 5.788 ( 0.000 -0.000 -14.641) 14.641 6.046 ( 0.000 -0.000 -3.372) 3.372 6.046 ( 0.000 -0.000 -3.372) 3.372 6.513 ( 0.000 -0.000 -3.745) 3.745 6.612 ( -0.000 0.000 10.154) 10.154 6.612 ( -0.000 0.000 10.154) 10.154 7.113 ( 0.000 -0.000 -4.676) 4.676 7.113 ( 0.000 -0.000 -4.676) 4.676 7.354 ( -0.000 0.000 1.679) 1.679 7.733 ( -0.000 0.000 3.782) 3.782 8.090 ( 0.000 -0.000 -4.460) 4.460 8.090 ( 0.000 -0.000 -4.460) 4.460 8.145 ( 0.000 -0.000 -3.279) 3.279 8.366 ( 0.000 -0.000 -1.231) 1.231 8.366 ( 0.000 -0.000 -1.231) 1.231 8.390 ( -0.000 0.000 7.678) 7.678 8.912 ( -0.000 0.000 4.274) 4.274 9.169 ( -0.000 0.000 1.284) 1.284 9.169 ( -0.000 0.000 1.284) 1.284 9.367 ( -0.000 0.000 8.880) 8.880 9.372 ( -0.000 0.000 19.296) 19.296 9.372 ( -0.000 0.000 19.296) 19.296 10.158 ( -0.000 0.000 0.970) 0.970 10.158 ( -0.000 0.000 0.970) 0.970 10.390 ( 0.000 -0.000 -18.527) 18.527 10.501 ( 0.000 -0.000 -17.652) 17.652 10.501 ( 0.000 -0.000 -17.652) 17.652 10.751 ( 0.000 -0.000 -1.249) 1.249 10.751 ( 0.000 -0.000 -1.249) 1.249 11.465 ( 0.000 -0.000 -2.086) 2.086 11.699 ( -0.000 0.000 4.252) 4.252 11.699 ( -0.000 0.000 4.252) 4.252 12.140 ( -0.000 0.000 15.864) 15.864 12.793 ( -0.000 0.000 3.304) 3.304 12.793 ( -0.000 0.000 3.304) 3.304 12.866 ( 0.000 -0.000 -2.054) 2.054 13.064 ( -0.000 0.000 11.611) 11.611 13.359 ( -0.000 0.000 0.376) 0.376 13.359 ( -0.000 0.000 0.376) 0.376 13.793 ( -0.000 0.000 0.769) 0.769 14.285 ( 0.000 -0.000 -15.781) 15.781 14.583 ( 0.000 -0.000 -0.981) 0.981 14.998 ( -0.000 0.000 1.398) 1.398 14.998 ( -0.000 0.000 1.398) 1.398 15.434 ( 0.000 -0.000 -5.568) 5.568 15.434 ( 0.000 -0.000 -5.568) 5.568 16.576 ( -0.000 0.000 0.183) 0.183 16.718 ( -0.000 0.000 0.118) 0.118 16.718 ( -0.000 0.000 0.118) 0.118 16.915 ( 0.000 -0.000 -0.046) 0.046 16.915 ( 0.000 -0.000 -0.046) 0.046 18.031 ( -0.000 0.000 4.753) 4.753 20.198 ( -0.000 0.000 1.572) 1.572 20.198 ( -0.000 0.000 1.572) 1.572 20.594 ( 0.000 -0.000 -1.002) 1.002 20.594 ( 0.000 -0.000 -1.002) 1.002 20.988 ( 0.000 -0.000 -3.821) 3.821 22.575 ( -0.000 0.000 2.412) 2.412 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -6.287 9.083 33.484) 35.259 1.731 ( 15.729 -1.392 29.041) 33.057 2.332 ( 0.479 -3.838 -24.662) 24.964 2.504 ( 6.135 8.032 -20.478) 22.836 3.101 ( 13.900 7.194 43.197) 45.945 3.369 ( -5.315 -3.679 -1.299) 6.594 3.586 ( -2.294 -6.277 1.025) 6.761 3.711 ( -5.692 -3.091 2.823) 7.066 3.781 ( -1.234 7.160 1.602) 7.440 3.871 ( 4.013 3.808 5.502) 7.803 3.975 ( 7.277 3.727 2.085) 8.438 4.462 ( -3.007 -4.532 2.469) 5.973 4.742 ( 6.922 1.602 -15.155) 16.738 4.906 ( 1.352 -1.675 -8.008) 8.292 5.119 ( 0.508 3.355 -24.439) 24.673 5.390 ( -6.467 0.770 -1.372) 6.656 5.402 ( 0.431 -2.761 -0.445) 2.830 5.767 ( 2.734 -1.860 -6.249) 7.070 5.983 ( -2.763 2.428 1.010) 3.814 6.074 ( 0.434 -0.239 -7.638) 7.654 6.426 ( -7.902 -3.893 13.516) 16.133 6.608 ( 5.377 -0.968 -1.916) 5.789 6.732 ( 2.184 2.291 -0.917) 3.295 7.120 ( 3.469 6.471 1.469) 7.488 7.233 ( 7.030 -0.449 -5.095) 8.694 7.348 ( -0.975 0.940 2.205) 2.587 7.679 ( -5.221 -3.268 -2.715) 6.732 7.974 ( -3.936 -2.315 5.125) 6.864 8.062 ( -8.070 -2.812 1.838) 8.741 8.129 ( -0.037 -0.684 -6.353) 6.390 8.262 ( 1.508 -2.926 -1.123) 3.478 8.429 ( 1.400 3.508 -3.469) 5.128 8.513 ( 4.129 1.183 4.061) 5.911 8.697 ( -9.912 -5.025 1.687) 11.240 9.043 ( -6.674 -6.095 3.911) 9.848 9.204 ( 1.490 -5.232 0.042) 5.440 9.293 ( -8.266 2.322 6.434) 10.729 9.510 ( 1.138 2.815 15.745) 16.035 9.623 ( 10.835 -0.378 12.024) 16.190 10.064 ( -11.289 -0.050 1.912) 11.450 10.093 ( -2.049 -3.653 -2.067) 4.670 10.292 ( -5.806 -1.906 -14.650) 15.874 10.407 ( 0.975 -2.782 -12.150) 12.503 10.535 ( 7.593 4.472 -14.485) 16.955 10.750 ( 0.183 1.743 0.755) 1.909 10.863 ( 7.097 3.792 -3.630) 8.827 11.485 ( 2.006 2.523 -2.107) 3.850 11.698 ( -1.410 -0.051 3.499) 3.772 11.762 ( 3.490 0.511 3.020) 4.644 12.168 ( -2.417 -2.366 11.201) 11.701 12.722 ( -1.672 -7.745 4.170) 8.953 12.831 ( -0.321 6.149 -0.459) 6.174 12.926 ( 3.468 2.804 -0.384) 4.477 13.105 ( -1.571 1.115 12.321) 12.471 13.270 ( -6.096 -5.852 -0.366) 8.458 13.387 ( 2.700 1.004 -2.015) 3.516 13.763 ( -2.910 -2.004 0.769) 3.616 14.204 ( -2.032 -1.410 -13.134) 13.365 14.645 ( -0.861 -0.865 -1.459) 1.902 14.818 ( -4.085 -0.697 2.483) 4.831 14.861 ( -8.229 -6.630 -1.264) 10.643 15.537 ( 7.737 8.668 0.222) 11.621 15.584 ( 3.957 0.835 -3.173) 5.141 16.399 ( -1.096 0.637 0.868) 1.536 16.711 ( -12.400 1.359 3.362) 12.920 16.754 ( 6.234 -4.561 -0.057) 7.725 17.019 ( 9.599 1.419 -0.602) 9.722 17.149 ( 22.657 13.230 -0.955) 26.254 18.270 ( 14.679 7.677 1.603) 16.643 20.112 ( -6.727 -2.596 2.266) 7.559 20.231 ( 0.992 -0.236 -1.248) 1.611 20.491 ( -7.008 -3.344 2.584) 8.183 20.546 ( -10.654 2.020 1.068) 10.896 20.853 ( -4.837 -8.670 -0.349) 9.934 22.347 ( -18.191 -10.623 1.029) 21.091 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.952 14.165 26.223) 29.820 2.096 ( 11.483 -2.717 6.093) 13.280 2.275 ( 12.100 1.061 -12.216) 17.227 2.674 ( 10.761 12.401 -18.009) 24.370 3.240 ( -4.033 -3.269 -0.393) 5.207 3.447 ( 1.942 5.083 11.894) 13.080 3.526 ( 0.128 -4.543 -2.341) 5.112 3.625 ( 2.085 -2.157 10.613) 11.029 3.773 ( -5.133 3.560 -1.002) 6.326 3.958 ( 3.011 1.038 0.609) 3.243 4.201 ( 0.415 1.474 15.577) 15.652 4.569 ( 13.275 6.331 17.327) 22.727 4.726 ( -3.479 -10.038 -1.949) 10.801 4.824 ( -1.022 -1.633 -10.850) 11.020 5.091 ( -0.525 2.256 -10.637) 10.886 5.313 ( 3.399 4.969 -24.364) 25.096 5.410 ( 0.447 2.941 3.829) 4.849 5.724 ( -0.864 -7.119 -5.026) 8.757 5.964 ( -2.529 2.990 -5.750) 6.957 6.081 ( 2.777 2.595 3.741) 5.333 6.376 ( -0.719 -2.951 11.832) 12.215 6.568 ( -4.677 -0.343 -7.431) 8.787 6.883 ( 8.713 3.859 -1.199) 9.604 7.111 ( -8.444 -6.668 -3.358) 11.271 7.281 ( -0.842 2.691 5.504) 6.185 7.428 ( 4.585 2.352 0.629) 5.191 7.548 ( 0.313 -1.705 -8.277) 8.456 7.911 ( -4.064 3.096 5.611) 7.589 7.954 ( -4.381 -6.459 -1.624) 7.972 8.056 ( -0.804 -0.190 2.755) 2.876 8.258 ( 2.165 -3.051 6.853) 7.808 8.468 ( 3.537 0.040 -7.232) 8.050 8.565 ( -0.579 0.756 -3.138) 3.280 8.658 ( 2.476 3.807 3.455) 5.706 8.941 ( -0.122 -4.043 1.919) 4.477 9.095 ( -5.377 -4.874 -4.696) 8.644 9.146 ( -10.109 -1.769 0.210) 10.265 9.574 ( -2.017 -2.177 11.152) 11.540 9.694 ( -7.341 -7.501 2.830) 10.870 9.902 ( -2.873 -0.123 8.538) 9.009 10.013 ( -4.233 -0.270 -0.808) 4.318 10.145 ( -2.953 -0.927 -7.652) 8.254 10.335 ( -1.479 0.118 -11.119) 11.218 10.667 ( 7.993 1.722 -6.935) 10.721 10.781 ( 1.010 2.856 0.157) 3.034 10.971 ( 3.031 0.714 -0.599) 3.171 11.546 ( 1.492 4.018 -1.305) 4.480 11.689 ( -0.599 0.454 1.257) 1.465 11.797 ( -0.421 -3.400 2.723) 4.376 12.133 ( -1.624 -2.310 6.559) 7.141 12.604 ( -4.737 -8.706 0.600) 9.930 12.898 ( -0.914 3.610 0.971) 3.848 12.988 ( -3.443 -0.666 -0.799) 3.597 13.045 ( -2.079 0.356 3.081) 3.734 13.219 ( 3.163 2.253 5.906) 7.068 13.453 ( 5.611 1.626 -5.665) 8.138 13.654 ( -5.871 -4.762 -0.231) 7.563 14.081 ( -4.387 -2.768 -7.390) 9.029 14.438 ( -12.386 -0.081 1.052) 12.431 14.691 ( -1.239 -8.715 -3.078) 9.326 14.988 ( 6.886 4.578 8.578) 11.915 15.516 ( -4.507 -0.719 -0.953) 4.663 15.728 ( 5.729 4.718 0.538) 7.441 16.502 ( -8.069 -2.583 -2.627) 8.870 16.660 ( 19.887 10.233 -1.987) 22.453 16.944 ( 9.967 3.220 8.885) 13.735 17.240 ( 11.407 9.190 -2.720) 14.899 17.689 ( 24.743 12.026 -2.907) 27.664 18.563 ( 11.184 2.706 1.695) 11.631 19.938 ( -11.257 -3.667 2.896) 12.188 20.173 ( -5.761 -3.923 -7.118) 9.963 20.260 ( -17.716 -5.320 2.995) 18.738 20.391 ( -6.854 3.728 14.379) 16.360 20.732 ( 0.655 -8.040 -4.747) 9.359 21.848 ( -22.640 -13.492 -3.524) 26.589 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 7.466 16.712 16.401) 24.577 2.124 ( 6.361 -3.986 -14.908) 16.691 2.651 ( 19.220 4.758 8.434) 21.521 2.948 ( 11.773 13.122 -12.740) 21.750 3.178 ( 0.222 -0.760 0.912) 1.207 3.397 ( -5.054 -3.479 2.242) 6.532 3.487 ( -5.567 0.490 1.053) 5.686 3.723 ( -0.167 0.033 -1.327) 1.338 3.818 ( 8.130 4.548 11.176) 14.550 4.009 ( 1.334 0.559 1.446) 2.045 4.166 ( -5.931 -4.162 9.333) 11.816 4.493 ( -6.701 -5.631 -6.340) 10.808 4.609 ( -6.726 -12.580 -4.898) 15.083 5.023 ( 8.131 6.979 19.161) 21.954 5.117 ( 5.328 -0.268 -12.093) 13.217 5.310 ( 0.803 6.708 -11.376) 13.230 5.556 ( 4.992 7.503 8.313) 12.260 5.579 ( -4.359 -6.831 -3.349) 8.768 5.979 ( 7.842 0.747 -12.707) 14.951 6.204 ( 2.730 6.043 4.371) 7.942 6.345 ( -9.311 -5.335 -8.545) 13.717 6.429 ( -2.748 0.396 5.342) 6.020 6.864 ( -6.114 -6.605 -1.630) 9.147 7.019 ( 2.583 2.185 3.676) 4.996 7.223 ( -5.573 -1.975 -2.496) 6.418 7.473 ( 0.677 -0.793 3.279) 3.440 7.594 ( 3.185 1.184 -7.121) 7.891 7.866 ( 4.242 -1.248 2.073) 4.884 7.992 ( 2.678 6.950 3.049) 8.048 8.121 ( 4.065 2.090 5.924) 7.482 8.359 ( 6.693 -1.051 8.282) 10.700 8.466 ( 1.709 -2.906 -4.722) 5.802 8.497 ( -8.237 0.729 1.442) 8.394 8.741 ( 3.595 1.185 -7.607) 8.496 8.919 ( -3.764 -1.084 1.617) 4.238 8.951 ( -6.648 -1.686 -5.016) 8.497 9.029 ( 5.501 -0.110 -3.321) 6.427 9.269 ( -20.751 -9.498 1.193) 22.853 9.630 ( 1.502 -6.184 8.573) 10.677 9.867 ( -4.316 -1.096 0.316) 4.464 9.981 ( -3.812 8.352 -1.960) 9.388 10.072 ( -1.315 -7.692 2.171) 8.100 10.307 ( 0.808 4.475 -7.770) 9.003 10.730 ( 2.041 -3.678 1.377) 4.426 10.894 ( 6.825 5.402 -2.865) 9.164 10.984 ( -0.648 0.873 0.356) 1.144 11.604 ( 0.921 2.502 3.363) 4.292 11.692 ( 0.489 0.225 -2.761) 2.813 11.716 ( -3.536 -5.041 2.267) 6.562 12.119 ( -1.940 -1.584 4.354) 5.023 12.354 ( -12.234 -9.220 -3.661) 15.751 12.814 ( -2.058 -2.867 -1.583) 3.868 12.936 ( -2.163 -0.051 4.399) 4.902 13.137 ( 3.892 2.512 -0.258) 4.639 13.319 ( -0.220 2.462 2.689) 3.653 13.498 ( -2.511 -1.669 -1.207) 3.247 13.574 ( 7.112 1.189 -8.753) 11.341 13.956 ( -4.638 -1.271 -3.006) 5.671 14.288 ( -9.250 4.371 3.283) 10.745 14.610 ( 3.865 -9.659 -4.202) 11.220 15.086 ( -6.513 4.674 19.480) 21.065 15.537 ( 7.113 0.534 -5.613) 9.076 15.855 ( 7.649 -0.321 -0.764) 7.694 16.367 ( -4.988 0.020 -2.507) 5.582 17.011 ( 12.144 -2.986 -6.622) 14.151 17.255 ( 10.413 20.574 10.848) 25.483 17.569 ( 15.050 9.980 -1.269) 18.102 18.164 ( 19.073 7.583 -4.204) 20.951 18.720 ( 6.306 -1.646 1.917) 6.794 19.660 ( -16.451 -4.212 -0.136) 16.982 19.895 ( -13.530 -9.444 4.767) 17.175 19.990 ( -9.931 -2.652 -1.595) 10.402 20.414 ( -2.659 -1.165 16.390) 16.645 20.671 ( 2.781 -0.439 -12.973) 13.275 21.348 ( -17.783 -10.553 -4.578) 21.179 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 8.280 -2.303 32.219) 33.345 1.882 ( -7.067 13.829 27.897) 31.929 2.256 ( -6.121 0.105 -25.558) 26.281 2.383 ( 6.416 7.114 -22.718) 24.656 3.240 ( -0.220 8.617 31.825) 32.971 3.369 ( -0.260 -6.316 -1.262) 6.446 3.613 ( -6.297 -4.154 -0.622) 7.569 3.723 ( 4.983 0.759 -1.241) 5.191 3.799 ( 0.385 -1.608 2.505) 3.001 3.905 ( 3.130 3.143 -1.783) 4.780 3.980 ( 1.239 12.755 23.485) 26.754 4.493 ( -3.559 -1.338 6.397) 7.441 4.659 ( -1.552 0.007 -11.464) 11.569 4.789 ( -0.122 6.635 -28.913) 29.665 5.083 ( 0.600 3.282 -16.904) 17.230 5.328 ( 0.797 -9.139 2.469) 9.500 5.471 ( 1.051 -0.588 0.107) 1.209 5.723 ( -2.722 -1.206 -2.574) 3.936 5.949 ( 2.254 -2.970 0.524) 3.765 6.100 ( 0.100 4.669 -5.764) 7.419 6.503 ( 2.178 -6.360 8.447) 10.796 6.614 ( -6.501 7.744 1.877) 10.284 6.686 ( 2.630 -4.027 -3.251) 5.806 7.093 ( 3.066 2.709 2.958) 5.049 7.233 ( -2.780 8.979 -4.087) 10.250 7.369 ( 0.792 1.658 0.522) 1.910 7.656 ( 0.451 -10.439 -0.247) 10.452 8.004 ( -0.624 -3.774 0.789) 3.906 8.039 ( -0.956 -3.745 1.597) 4.182 8.162 ( 1.776 2.465 -8.327) 8.864 8.288 ( -2.172 -0.696 -1.035) 2.505 8.337 ( 0.807 0.394 3.263) 3.384 8.568 ( 0.179 6.277 -0.532) 6.302 8.715 ( 0.523 -12.834 1.454) 12.926 9.067 ( 2.716 -7.932 2.290) 8.691 9.121 ( -7.432 -9.297 7.312) 13.969 9.355 ( 4.701 -3.774 0.287) 6.035 9.564 ( -0.835 2.346 15.667) 15.864 9.692 ( -4.027 8.931 12.074) 15.549 10.008 ( 2.331 -7.549 -6.552) 10.264 10.166 ( 3.810 -3.368 0.788) 5.146 10.262 ( 0.505 -4.409 -2.835) 5.266 10.316 ( -3.634 -3.080 -18.872) 19.464 10.457 ( -0.968 7.658 -8.320) 11.350 10.782 ( 1.848 2.325 -1.782) 3.464 10.838 ( -0.735 8.569 -1.730) 8.773 11.475 ( 0.843 2.648 -1.483) 3.150 11.709 ( 0.454 -2.002 2.800) 3.473 11.770 ( -0.871 3.616 2.148) 4.295 12.218 ( -0.346 -2.928 7.737) 8.280 12.716 ( -3.556 -6.008 2.880) 7.552 12.853 ( 3.044 2.946 0.132) 4.238 12.917 ( 0.482 4.825 -0.236) 4.854 13.151 ( 0.774 -1.012 10.709) 10.785 13.268 ( -0.471 -7.636 0.834) 7.696 13.383 ( -0.993 1.416 -3.084) 3.536 13.763 ( -0.084 -3.874 0.683) 3.935 14.152 ( -0.046 -2.118 -10.650) 10.859 14.638 ( -0.560 -0.667 -0.819) 1.195 14.815 ( 2.221 -13.137 0.949) 13.357 14.873 ( -1.990 -0.849 -1.104) 2.428 15.521 ( 1.638 7.503 0.729) 7.714 15.596 ( -0.117 10.491 -3.234) 10.979 16.382 ( 0.059 -4.841 2.043) 5.255 16.680 ( 8.645 -7.813 2.862) 11.999 16.828 ( -10.555 5.160 -3.064) 12.142 17.021 ( 0.276 8.644 -0.709) 8.678 17.124 ( 0.163 24.901 0.835) 24.916 18.279 ( -0.452 16.702 1.161) 16.748 20.154 ( 2.920 -4.096 2.279) 5.522 20.186 ( -2.636 -3.987 -1.678) 5.066 20.505 ( 4.394 -10.183 3.029) 11.497 20.538 ( 0.545 -3.964 1.113) 4.154 20.861 ( -3.067 -7.388 -1.731) 8.184 22.351 ( -0.075 -21.705 0.829) 21.721 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 5.587 1.903 13.039) 14.312 1.983 ( 2.837 7.030 14.565) 16.420 2.125 ( -1.290 10.073 -8.428) 13.196 2.533 ( 10.002 11.661 -20.137) 25.328 3.270 ( -2.666 -4.449 0.061) 5.187 3.475 ( 5.531 0.805 15.638) 16.607 3.504 ( -1.145 3.898 -3.677) 5.480 3.654 ( -5.424 -4.539 -0.460) 7.087 3.866 ( 2.368 1.473 3.211) 4.253 3.902 ( -0.374 1.183 -5.461) 5.600 4.368 ( -2.160 9.117 26.008) 27.644 4.509 ( 6.761 3.656 9.941) 12.566 4.598 ( 5.200 4.719 -6.316) 9.445 4.776 ( -1.547 -9.568 0.539) 9.708 5.034 ( 2.463 9.191 -29.198) 30.710 5.303 ( 1.080 -1.882 -5.833) 6.223 5.384 ( -4.475 -2.537 -1.478) 5.352 5.684 ( 0.218 -2.189 2.186) 3.101 6.011 ( 6.377 -1.275 0.961) 6.574 6.081 ( -5.182 4.961 -6.410) 9.620 6.426 ( -4.371 -6.500 10.986) 13.492 6.586 ( -1.929 -1.253 -7.700) 8.036 6.781 ( 6.975 6.930 2.699) 10.196 7.153 ( -2.195 -3.752 -1.928) 4.755 7.312 ( 4.172 8.272 3.734) 9.988 7.428 ( 2.725 5.353 -0.502) 6.028 7.502 ( -4.777 -9.605 -4.691) 11.708 7.916 ( -4.967 -6.732 -2.039) 8.611 7.976 ( 0.862 -3.815 5.684) 6.900 8.139 ( -2.658 -0.107 -4.131) 4.913 8.263 ( -3.051 3.953 6.658) 8.322 8.414 ( 3.624 0.787 -4.576) 5.890 8.547 ( -1.206 -2.534 0.271) 2.819 8.664 ( 1.373 2.551 0.194) 2.904 8.933 ( -4.474 -7.428 4.825) 9.924 9.058 ( 0.377 -7.720 4.003) 8.705 9.247 ( -6.594 -7.063 -5.219) 10.982 9.618 ( 0.039 -5.041 11.883) 12.908 9.749 ( -3.912 3.010 5.081) 7.084 9.958 ( 0.058 -7.354 -1.442) 7.494 10.050 ( -3.949 -4.897 -3.695) 7.295 10.181 ( -4.870 -1.093 2.514) 5.588 10.266 ( 2.970 2.672 -14.778) 15.309 10.545 ( 5.797 2.758 0.177) 6.423 10.832 ( 1.005 5.051 -2.580) 5.760 10.920 ( 1.971 3.497 -0.362) 4.030 11.539 ( 2.810 4.584 -3.991) 6.696 11.704 ( -0.136 -1.746 1.183) 2.114 11.778 ( -1.874 -1.821 3.667) 4.503 12.176 ( -2.687 -2.738 4.331) 5.786 12.613 ( -3.361 -6.796 6.262) 9.833 12.940 ( 2.600 6.230 -4.187) 7.944 12.998 ( 3.267 3.921 -1.116) 5.225 13.090 ( -4.970 -11.332 1.308) 12.443 13.223 ( -1.379 1.838 6.945) 7.315 13.370 ( 2.028 0.389 -2.885) 3.548 13.691 ( -3.498 -5.569 0.777) 6.623 14.079 ( -1.694 -2.823 -5.363) 6.293 14.493 ( -4.942 -11.526 -3.316) 12.972 14.708 ( -4.377 -5.044 2.851) 7.261 14.985 ( 6.532 13.262 2.161) 14.941 15.504 ( -2.661 -6.455 -1.402) 7.121 15.760 ( 3.591 8.910 -2.894) 10.033 16.454 ( 5.861 8.363 3.105) 10.674 16.623 ( -2.787 -2.962 -5.042) 6.478 16.950 ( 5.020 12.363 5.228) 14.331 17.096 ( 9.681 9.567 0.597) 13.624 17.557 ( 13.375 24.651 -0.570) 28.051 18.466 ( 3.872 7.830 2.736) 9.153 20.056 ( -5.033 -6.094 0.302) 7.909 20.155 ( 0.387 -3.756 -2.699) 4.642 20.386 ( -10.680 -6.441 -3.324) 12.907 20.507 ( 5.177 -9.879 -3.735) 11.762 20.681 ( -8.323 -6.392 8.864) 13.737 21.979 ( -13.800 -23.980 -0.911) 27.682 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 3.946 0.041 -19.165) 19.567 2.227 ( 0.047 15.535 14.965) 21.570 2.418 ( 17.204 7.762 12.557) 22.670 2.789 ( 13.577 13.110 -16.008) 24.748 3.205 ( -1.940 -0.369 0.330) 2.002 3.435 ( -2.517 -2.902 -2.963) 4.852 3.539 ( -2.012 -2.937 3.867) 5.256 3.737 ( 7.722 7.306 6.549) 12.486 3.819 ( -4.702 1.315 0.945) 4.973 3.971 ( 4.582 0.667 0.054) 4.631 4.350 ( -9.898 3.051 13.108) 16.706 4.466 ( -1.826 -9.875 -2.400) 10.326 4.569 ( -5.543 -11.923 -8.979) 15.922 4.985 ( 3.203 -2.887 1.591) 4.596 5.040 ( 6.336 10.994 10.141) 16.244 5.269 ( 1.633 6.188 -18.678) 19.744 5.426 ( 7.741 -2.184 0.792) 8.082 5.711 ( -1.059 6.294 8.664) 10.762 5.983 ( -6.260 3.766 -5.682) 9.255 6.135 ( 8.579 -0.600 0.129) 8.601 6.353 ( -1.886 -4.571 1.355) 5.127 6.500 ( -3.575 -1.413 -4.033) 5.572 6.897 ( -2.362 -5.600 3.438) 6.983 7.051 ( -2.789 4.445 -1.481) 5.453 7.319 ( -4.898 -0.375 -4.934) 6.962 7.445 ( 2.444 3.824 3.642) 5.819 7.554 ( 1.481 2.759 -5.167) 6.042 7.768 ( 1.948 -4.631 0.039) 5.024 8.022 ( 3.106 -0.977 9.193) 9.753 8.124 ( 1.304 1.764 1.411) 2.608 8.318 ( 1.384 1.559 10.312) 10.520 8.381 ( -0.589 -1.124 -7.309) 7.419 8.585 ( 0.446 0.605 1.498) 1.676 8.682 ( -0.001 -1.515 -6.359) 6.537 8.904 ( 3.875 -2.107 8.066) 9.194 8.937 ( -4.629 -4.785 -5.152) 8.419 9.060 ( -5.806 -4.476 -0.706) 7.365 9.480 ( -12.330 -12.837 -3.370) 18.116 9.627 ( -4.736 -2.230 10.230) 11.491 9.884 ( -0.843 -3.840 -2.781) 4.815 9.975 ( -0.705 -7.476 -2.683) 7.974 10.142 ( -2.136 4.257 2.131) 5.218 10.314 ( 1.886 8.367 -8.907) 12.365 10.664 ( 4.090 0.128 4.508) 6.088 10.903 ( 0.709 8.054 -1.259) 8.182 10.968 ( 2.706 -0.871 0.450) 2.878 11.594 ( 1.829 1.496 -5.259) 5.765 11.662 ( -2.652 -4.489 0.036) 5.214 11.707 ( -1.220 -6.144 5.220) 8.154 12.147 ( -0.989 -0.642 2.653) 2.903 12.488 ( -8.758 -4.965 4.648) 11.089 12.835 ( -6.875 -8.187 0.124) 10.691 12.999 ( -2.074 0.601 -2.151) 3.048 13.091 ( 3.878 2.272 0.725) 4.552 13.311 ( 5.319 3.846 1.724) 6.786 13.431 ( 3.318 -1.999 -2.190) 4.450 13.553 ( -4.554 -0.464 -2.038) 5.011 13.997 ( -3.111 -2.377 -1.880) 4.343 14.310 ( 0.139 -10.934 -7.567) 13.298 14.615 ( -6.996 2.872 5.066) 9.102 15.253 ( 5.968 10.164 7.713) 14.087 15.410 ( 1.397 -7.997 5.822) 9.989 15.807 ( -1.362 5.305 -8.677) 10.261 16.511 ( -6.936 10.198 -7.939) 14.667 16.772 ( 14.480 5.974 0.904) 15.690 17.232 ( 12.572 7.254 6.944) 16.091 17.470 ( 14.471 17.260 1.880) 22.602 18.009 ( 11.871 21.526 -2.324) 24.691 18.550 ( 4.413 -7.971 4.608) 10.210 19.907 ( -5.606 -6.311 3.033) 8.970 19.957 ( -15.731 -5.925 -7.352) 18.347 20.126 ( -7.866 -3.589 -9.186) 12.615 20.483 ( 5.093 -11.246 -6.147) 13.791 20.559 ( -5.259 -1.199 14.355) 15.335 21.488 ( -15.916 -18.748 -1.105) 24.618 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.595 -1.275 30.727) 30.760 2.222 ( 2.016 11.524 -1.395) 11.782 2.284 ( -4.321 13.974 -4.883) 15.420 2.352 ( -12.800 3.824 -17.986) 22.405 3.276 ( 2.705 -4.485 -1.175) 5.368 3.416 ( -3.189 0.456 10.512) 10.995 3.627 ( 5.193 4.601 -7.306) 10.075 3.649 ( -1.853 -3.863 -1.808) 4.650 3.801 ( 2.677 3.449 11.023) 11.856 3.911 ( -2.503 0.260 -2.894) 3.835 4.249 ( -3.730 7.130 26.053) 27.267 4.569 ( -2.193 2.187 4.116) 5.151 4.719 ( -7.507 3.342 4.813) 9.523 4.813 ( -0.954 -4.665 -10.962) 11.951 4.978 ( 1.464 10.323 -30.900) 32.611 5.264 ( -2.083 -5.693 1.181) 6.176 5.374 ( 5.856 -1.912 0.087) 6.161 5.754 ( -2.262 1.243 -9.320) 9.671 5.963 ( -2.295 1.315 6.168) 6.711 6.068 ( 3.593 0.677 -1.927) 4.133 6.451 ( 1.443 -4.613 10.463) 11.526 6.556 ( 4.012 -4.550 -6.632) 8.988 6.824 ( -5.535 10.315 -3.811) 12.311 7.115 ( -2.358 -4.220 3.889) 6.204 7.350 ( 4.004 3.584 1.229) 5.512 7.382 ( -3.984 5.143 1.146) 6.606 7.520 ( -0.639 -7.237 -5.491) 9.107 7.873 ( 4.941 -8.716 4.389) 10.939 8.066 ( 4.800 1.525 -2.516) 5.630 8.083 ( 0.891 -0.097 -1.545) 1.786 8.343 ( 1.371 2.096 4.814) 5.426 8.360 ( -6.609 0.889 -6.860) 9.567 8.566 ( 2.127 -1.688 -2.768) 3.877 8.648 ( -0.344 1.957 2.960) 3.565 8.961 ( 1.683 -4.929 -0.759) 5.264 9.097 ( 1.252 -11.056 3.203) 11.578 9.196 ( 6.477 -4.913 -1.051) 8.197 9.660 ( 1.999 -2.908 10.343) 10.929 9.775 ( 1.998 -1.448 -4.877) 5.465 9.949 ( -2.927 -0.484 9.608) 10.056 10.001 ( 6.256 -7.357 -6.142) 11.445 10.138 ( 5.632 -2.998 4.423) 7.763 10.288 ( -3.453 -1.786 -11.366) 12.013 10.584 ( -3.582 7.828 -6.432) 10.746 10.810 ( -1.543 3.188 1.216) 3.744 10.930 ( -2.764 4.259 -1.917) 5.427 11.506 ( -1.467 2.548 1.303) 3.216 11.696 ( 0.539 -1.649 2.196) 2.799 11.806 ( 0.338 -0.383 -0.755) 0.912 12.183 ( 1.658 -3.102 2.969) 4.603 12.687 ( 1.711 -5.732 -5.020) 7.809 12.878 ( -0.776 5.285 5.456) 7.636 12.989 ( -2.505 4.637 0.445) 5.289 13.107 ( 7.575 -9.769 -1.315) 12.431 13.189 ( -1.193 0.297 9.724) 9.802 13.409 ( -1.938 2.218 -6.306) 6.960 13.693 ( 2.508 -6.382 0.478) 6.874 14.081 ( 1.414 -2.994 -5.869) 6.739 14.449 ( 9.404 -13.645 3.488) 16.935 14.741 ( -1.999 -4.895 -2.210) 5.730 14.999 ( -4.607 14.679 -0.127) 15.386 15.518 ( 4.466 -2.648 -3.559) 6.295 15.703 ( -3.468 4.721 6.114) 8.467 16.440 ( -9.553 3.417 4.927) 11.278 16.591 ( 2.077 -0.792 0.538) 2.286 17.020 ( -3.159 14.681 -6.018) 16.178 17.104 ( -5.097 12.216 -0.742) 13.258 17.555 ( -16.061 22.861 -0.284) 27.941 18.496 ( -5.575 9.738 -2.046) 11.405 20.022 ( 6.332 -5.947 3.468) 9.354 20.175 ( -1.303 -5.358 -3.004) 6.279 20.282 ( 5.596 -17.151 12.221) 21.791 20.452 ( 8.062 -3.046 4.689) 9.811 20.786 ( 1.811 -4.480 -7.313) 8.765 21.984 ( 13.612 -23.716 -1.547) 27.388 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 9.130 3.353 24.224) 26.104 2.030 ( -10.646 3.378 -24.376) 26.812 2.415 ( 6.222 14.928 -16.030) 22.770 2.444 ( -3.912 18.750 15.350) 24.546 3.236 ( -0.165 -5.164 -0.072) 5.168 3.455 ( 2.420 -0.846 8.737) 9.106 3.555 ( -3.230 0.883 -6.277) 7.114 3.689 ( -1.543 0.058 -2.841) 3.233 3.805 ( 0.980 0.094 -2.227) 2.435 3.946 ( -0.035 3.817 1.122) 3.978 4.382 ( 0.976 -2.926 -6.323) 7.036 4.565 ( 5.626 0.043 13.840) 14.940 4.696 ( -4.335 -1.588 10.519) 11.487 4.801 ( -2.363 14.406 11.672) 18.691 4.991 ( 0.506 8.499 -26.354) 27.695 5.167 ( 1.843 -5.703 2.553) 6.515 5.469 ( -0.639 4.186 -5.075) 6.610 5.669 ( -1.145 -4.098 2.469) 4.919 5.923 ( -0.252 -2.210 1.428) 2.643 6.144 ( 0.428 4.594 -5.329) 7.049 6.441 ( 0.556 -7.304 8.452) 11.185 6.529 ( 0.135 -2.773 -7.860) 8.336 6.865 ( -3.067 11.278 1.685) 11.808 7.071 ( 3.635 -8.737 3.107) 9.960 7.350 ( -1.114 -4.019 -4.528) 6.156 7.431 ( -1.862 4.656 -0.034) 5.015 7.457 ( 3.104 0.844 5.059) 5.995 7.898 ( 4.074 -6.900 3.225) 8.638 8.000 ( -7.830 -0.298 -4.852) 9.216 8.113 ( 0.691 0.874 -6.140) 6.240 8.342 ( 3.821 5.046 -6.688) 9.208 8.384 ( 0.295 0.755 6.831) 6.879 8.542 ( -2.424 -1.466 0.240) 2.842 8.679 ( 0.096 2.511 -0.035) 2.513 8.950 ( -0.882 -4.456 1.010) 4.653 8.997 ( 0.376 -7.820 9.531) 12.334 9.187 ( 0.547 -9.917 -5.241) 11.230 9.609 ( -3.068 -9.399 6.091) 11.612 9.779 ( 6.116 -3.848 -11.061) 13.212 9.927 ( -5.653 -0.296 11.862) 13.143 9.979 ( 1.033 -7.907 -3.489) 8.704 10.165 ( -1.054 -1.019 -8.785) 8.907 10.235 ( 4.032 -0.582 3.989) 5.702 10.606 ( -3.246 9.270 2.145) 10.053 10.797 ( 1.079 1.119 -2.053) 2.575 10.972 ( 0.189 4.025 -0.505) 4.061 11.538 ( 0.528 4.196 -0.504) 4.259 11.688 ( -0.006 -1.407 1.733) 2.232 11.817 ( -0.158 -1.221 -0.485) 1.324 12.170 ( 0.542 -3.189 0.524) 3.277 12.598 ( -0.942 -9.217 1.836) 9.445 12.919 ( 0.699 0.282 -1.783) 1.936 12.979 ( -0.933 -1.588 0.136) 1.847 13.069 ( -0.449 -1.534 -1.557) 2.231 13.274 ( 0.685 2.745 1.647) 3.274 13.388 ( -1.075 3.606 1.531) 4.062 13.643 ( 1.133 -8.648 1.376) 8.830 14.041 ( 0.088 -4.001 -1.668) 4.335 14.455 ( -2.179 -9.845 -0.949) 10.128 14.640 ( 3.676 -6.348 4.242) 8.474 15.075 ( -1.569 14.635 -5.017) 15.550 15.518 ( -3.467 -5.611 -1.434) 6.750 15.741 ( 3.486 6.379 -1.533) 7.429 16.443 ( 4.103 -5.294 7.458) 10.025 16.639 ( -0.225 14.921 0.816) 14.945 17.046 ( -2.577 14.924 -7.230) 16.782 17.219 ( -4.380 13.450 0.424) 14.152 17.658 ( 2.617 26.459 2.043) 26.666 18.578 ( -0.128 11.585 -0.627) 11.603 19.979 ( -1.145 -12.686 -3.516) 13.214 20.091 ( 2.002 -7.488 5.971) 9.784 20.267 ( 4.682 -14.672 1.152) 15.444 20.496 ( -5.343 -0.997 0.827) 5.498 20.698 ( 0.854 -7.145 -2.061) 7.486 21.829 ( -0.046 -27.851 -0.477) 27.855 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -4.808 6.796 -23.233) 24.680 2.196 ( 13.442 4.936 15.258) 20.925 2.594 ( -4.487 18.944 14.343) 24.181 2.661 ( 8.719 16.145 -13.169) 22.585 3.206 ( 0.695 -1.623 0.886) 1.975 3.439 ( -2.462 -2.407 -2.990) 4.560 3.513 ( -0.693 -8.046 1.526) 8.219 3.711 ( 5.140 7.172 2.775) 9.249 3.862 ( 4.511 2.676 -9.443) 10.802 3.951 ( -3.306 2.779 3.834) 5.775 4.313 ( 3.617 -5.548 -12.427) 14.082 4.544 ( -5.874 -14.144 6.928) 16.809 4.628 ( -7.994 1.945 11.209) 13.904 4.969 ( -3.754 1.336 -10.666) 11.386 5.064 ( 7.330 11.999 7.189) 15.792 5.245 ( 5.946 0.750 6.798) 9.063 5.383 ( -6.213 7.292 -7.480) 12.154 5.734 ( 6.334 -2.182 8.006) 10.439 5.982 ( 7.213 2.496 2.339) 7.983 6.106 ( -5.704 3.047 -5.511) 8.497 6.369 ( -3.809 -7.338 7.605) 11.233 6.477 ( 0.622 -1.811 -8.832) 9.038 6.906 ( -0.681 -0.193 3.709) 3.776 7.069 ( 1.971 -4.268 -1.609) 4.969 7.282 ( 1.166 -3.388 -3.470) 4.988 7.496 ( 2.234 3.629 2.602) 4.993 7.549 ( 1.886 4.301 1.514) 4.934 7.812 ( -9.185 2.502 -1.937) 9.715 7.940 ( 4.678 -2.381 1.508) 5.461 8.112 ( 0.693 1.279 -2.376) 2.786 8.390 ( -0.475 2.771 -6.340) 6.935 8.419 ( -5.942 -1.428 7.968) 10.042 8.534 ( 6.357 2.739 0.859) 6.975 8.674 ( -2.646 -0.170 -1.068) 2.858 8.900 ( -1.194 -1.485 8.955) 9.155 8.953 ( -4.726 -7.486 -2.762) 9.274 9.065 ( 0.108 -3.654 1.260) 3.867 9.432 ( -3.363 -16.830 -2.107) 17.291 9.782 ( -2.485 -0.414 -7.440) 7.855 9.807 ( -3.226 -6.022 9.491) 11.694 9.909 ( -1.825 -7.487 -2.125) 7.994 10.148 ( 2.002 1.888 -5.783) 6.404 10.317 ( 4.264 2.787 -0.847) 5.164 10.694 ( -0.328 8.637 8.606) 12.197 10.859 ( 5.376 1.002 -3.059) 6.266 10.989 ( -0.507 1.676 1.554) 2.341 11.568 ( -0.763 1.230 -4.455) 4.684 11.671 ( -1.392 -1.369 -0.112) 1.956 11.732 ( -5.200 -4.911 2.401) 7.545 12.154 ( -0.072 -1.708 0.116) 1.713 12.511 ( 0.792 -10.340 6.278) 12.122 12.853 ( -4.416 -9.881 1.444) 10.919 12.971 ( 2.850 1.309 -6.515) 7.230 13.086 ( -0.089 4.205 0.098) 4.207 13.284 ( 1.251 4.704 -3.970) 6.281 13.439 ( -1.972 1.567 6.980) 7.420 13.587 ( -0.631 -2.402 0.742) 2.592 13.992 ( -0.328 -4.855 0.992) 4.966 14.225 ( -7.561 -9.240 -7.045) 13.863 14.720 ( 2.428 0.829 6.632) 7.111 15.153 ( 3.143 -3.315 -10.473) 11.426 15.442 ( 0.586 6.541 9.885) 11.868 15.854 ( 0.518 6.640 -6.139) 9.058 16.512 ( 10.487 -2.395 -5.211) 11.953 16.827 ( -5.523 22.405 0.989) 23.097 17.136 ( 6.426 1.749 6.277) 9.152 17.430 ( 9.540 21.057 -1.289) 23.153 18.053 ( 10.336 23.039 1.402) 25.290 18.594 ( -8.863 2.773 4.086) 10.146 19.819 ( -0.335 -15.063 -3.525) 15.473 20.053 ( -1.263 -9.177 1.068) 9.325 20.108 ( -0.244 -11.559 -15.280) 19.161 20.355 ( -6.113 1.160 -3.299) 7.042 20.656 ( -2.646 -5.830 10.676) 12.448 21.491 ( -8.254 -23.100 2.059) 24.617 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -0.000 0.000 30.258) 30.258 1.827 ( -0.000 0.000 30.258) 30.258 2.183 ( 0.000 -0.000 -25.710) 25.710 2.183 ( 0.000 -0.000 -25.710) 25.710 3.272 ( -0.000 0.000 26.813) 26.813 3.444 ( 0.000 -0.000 -0.836) 0.836 3.724 ( -0.000 0.000 0.944) 0.944 3.724 ( -0.000 0.000 0.944) 0.944 3.841 ( 0.000 -0.000 -1.880) 1.880 3.841 ( 0.000 -0.000 -1.880) 1.880 3.881 ( -0.000 0.000 32.525) 32.525 4.486 ( 0.000 -0.000 -48.726) 48.726 4.567 ( 0.000 -0.000 -2.838) 2.838 4.567 ( 0.000 -0.000 -2.838) 2.838 5.050 ( 0.000 -0.000 -3.633) 3.633 5.475 ( -0.000 0.000 2.719) 2.719 5.475 ( -0.000 0.000 2.719) 2.719 5.714 ( 0.000 -0.000 -1.443) 1.443 6.009 ( 0.000 -0.000 -1.914) 1.914 6.009 ( 0.000 -0.000 -1.914) 1.914 6.481 ( 0.000 -0.000 -1.391) 1.391 6.709 ( -0.000 0.000 4.641) 4.641 6.709 ( -0.000 0.000 4.641) 4.641 7.063 ( 0.000 -0.000 -2.744) 2.744 7.063 ( 0.000 -0.000 -2.744) 2.744 7.364 ( -0.000 0.000 0.292) 0.292 7.776 ( -0.000 0.000 2.324) 2.324 8.051 ( 0.000 -0.000 -1.653) 1.653 8.051 ( 0.000 -0.000 -1.653) 1.653 8.103 ( 0.000 -0.000 -2.490) 2.490 8.354 ( 0.000 -0.000 -0.552) 0.552 8.354 ( 0.000 -0.000 -0.552) 0.552 8.459 ( -0.000 0.000 3.107) 3.107 8.956 ( -0.000 0.000 2.130) 2.130 9.178 ( -0.000 0.000 0.366) 0.366 9.178 ( -0.000 0.000 0.366) 0.366 9.455 ( -0.000 0.000 4.463) 4.463 9.586 ( -0.000 0.000 12.339) 12.339 9.586 ( -0.000 0.000 12.339) 12.339 10.138 ( 0.000 -0.000 -3.848) 3.848 10.138 ( 0.000 -0.000 -3.848) 3.848 10.215 ( 0.000 -0.000 -8.371) 8.371 10.329 ( 0.000 -0.000 -7.547) 7.547 10.329 ( 0.000 -0.000 -7.547) 7.547 10.745 ( 0.000 -0.000 -0.084) 0.084 10.745 ( 0.000 -0.000 -0.084) 0.084 11.445 ( 0.000 -0.000 -0.880) 0.880 11.735 ( -0.000 0.000 1.460) 1.460 11.735 ( -0.000 0.000 1.460) 1.460 12.284 ( -0.000 0.000 6.506) 6.506 12.824 ( -0.000 0.000 1.413) 1.413 12.824 ( -0.000 0.000 1.413) 1.413 12.835 ( 0.000 -0.000 -1.921) 1.921 13.194 ( -0.000 0.000 7.082) 7.082 13.363 ( -0.000 0.000 0.161) 0.161 13.363 ( -0.000 0.000 0.161) 0.161 13.800 ( -0.000 0.000 0.292) 0.292 14.125 ( 0.000 -0.000 -8.165) 8.165 14.575 ( 0.000 -0.000 -0.364) 0.364 15.011 ( -0.000 0.000 0.635) 0.635 15.011 ( -0.000 0.000 0.635) 0.635 15.383 ( 0.000 -0.000 -2.377) 2.377 15.383 ( 0.000 -0.000 -2.377) 2.377 16.577 ( -0.000 0.000 0.074) 0.074 16.720 ( -0.000 0.000 0.109) 0.109 16.720 ( -0.000 0.000 0.109) 0.109 16.913 ( 0.000 -0.000 -0.106) 0.106 16.913 ( 0.000 -0.000 -0.106) 0.106 18.073 ( -0.000 0.000 1.833) 1.833 20.214 ( -0.000 0.000 0.742) 0.742 20.214 ( -0.000 0.000 0.742) 0.742 20.584 ( 0.000 -0.000 -0.499) 0.499 20.584 ( 0.000 -0.000 -0.499) 0.499 20.956 ( 0.000 -0.000 -1.381) 1.381 22.595 ( -0.000 0.000 0.847) 0.847 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -4.988 5.398 27.756) 28.713 2.000 ( -0.276 -4.984 -27.250) 27.704 2.076 ( 12.039 -1.896 26.308) 28.995 2.225 ( 7.357 9.953 -24.128) 27.117 3.361 ( -5.769 -3.110 -0.019) 6.554 3.408 ( 4.624 2.445 4.737) 7.057 3.596 ( -4.831 -4.036 1.371) 6.442 3.705 ( -2.132 -1.591 -0.335) 2.681 3.827 ( -2.492 2.043 2.418) 4.029 3.874 ( 3.695 0.381 -2.076) 4.255 4.265 ( 10.989 11.615 39.870) 42.957 4.416 ( 10.072 -0.771 -32.388) 33.927 4.565 ( 5.486 -0.162 3.415) 6.464 4.651 ( 5.674 7.608 -18.224) 20.547 4.987 ( -5.154 -3.113 1.250) 6.149 5.362 ( -8.709 -4.884 -2.356) 10.259 5.446 ( -1.821 -0.999 3.762) 4.297 5.728 ( 0.127 -0.501 -1.904) 1.973 5.979 ( -2.600 0.139 -3.622) 4.461 6.037 ( 3.390 1.083 3.498) 4.990 6.552 ( 1.132 2.234 2.785) 3.746 6.601 ( -5.004 -6.002 3.879) 8.725 6.686 ( 1.069 1.831 -5.311) 5.718 7.139 ( 3.096 2.644 -2.003) 4.537 7.187 ( 9.251 4.399 0.970) 10.290 7.366 ( 0.462 0.592 0.796) 1.094 7.659 ( -9.024 -5.547 -0.720) 10.617 8.037 ( -2.105 -4.020 -4.007) 6.054 8.050 ( -2.852 0.948 4.644) 5.532 8.077 ( -1.088 0.751 0.033) 1.322 8.265 ( 0.126 -1.977 1.736) 2.634 8.385 ( 1.288 1.680 -3.880) 4.420 8.553 ( 3.214 1.890 2.179) 4.319 8.720 ( -10.950 -6.181 1.070) 12.619 9.074 ( -6.642 -4.711 0.985) 8.203 9.188 ( -3.919 -1.991 -3.135) 5.399 9.345 ( -6.874 -3.656 2.143) 8.076 9.674 ( 1.069 2.002 4.129) 4.712 9.730 ( 5.654 0.380 5.085) 7.614 10.014 ( -3.212 -1.558 -9.634) 10.274 10.109 ( -3.024 2.862 8.979) 9.898 10.184 ( -7.029 -7.130 -1.535) 10.129 10.299 ( -0.438 -2.259 -6.180) 6.595 10.415 ( 9.408 7.122 -3.071) 12.193 10.764 ( 1.448 0.479 1.320) 2.017 10.836 ( 6.683 4.041 -1.041) 7.879 11.468 ( 2.139 1.467 -0.446) 2.632 11.723 ( -1.316 -0.678 0.505) 1.565 11.782 ( 2.999 1.554 0.325) 3.393 12.254 ( -3.740 -2.374 2.203) 4.948 12.744 ( -4.013 -3.727 -0.907) 5.551 12.837 ( 1.627 2.203 1.799) 3.276 12.920 ( 4.067 2.646 -0.522) 4.880 13.219 ( -2.074 0.039 2.525) 3.268 13.271 ( -5.235 -4.285 0.788) 6.811 13.359 ( 0.206 0.067 -1.173) 1.193 13.768 ( -3.027 -1.887 0.024) 3.567 14.096 ( -1.057 -0.661 -2.671) 2.948 14.635 ( -1.307 -0.427 -0.256) 1.399 14.832 ( -8.362 -6.655 -1.390) 10.777 14.854 ( -2.880 -0.360 1.556) 3.293 15.538 ( 5.198 5.373 -1.660) 7.658 15.562 ( 10.030 4.055 1.544) 10.928 16.399 ( -1.350 -0.467 -0.727) 1.603 16.710 ( -5.992 -10.584 -1.939) 12.316 16.786 ( 0.750 9.285 3.699) 10.022 17.015 ( 8.494 2.137 0.103) 8.760 17.136 ( 21.830 12.919 -1.085) 25.390 18.284 ( 14.028 7.949 0.424) 16.129 20.143 ( -6.010 -2.675 2.630) 7.084 20.201 ( -1.310 -1.466 -2.897) 3.502 20.512 ( -5.492 -5.226 0.741) 7.617 20.554 ( -4.513 0.910 -0.293) 4.613 20.848 ( -6.836 -4.994 0.153) 8.467 22.355 ( -19.276 -11.148 0.183) 22.268 =================== 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 3/54675 10.0 546.943 546.943 1711.934 0.000 -0.000 0.000 3/54675 20.0 157.820 157.820 246.995 0.000 -0.000 0.000 3/54675 30.0 64.777 64.777 101.150 0.000 -0.000 0.000 3/54675 40.0 35.902 35.902 57.918 0.000 -0.000 0.000 3/54675 50.0 23.030 23.030 38.065 0.000 -0.000 0.000 3/54675 60.0 16.214 16.214 27.242 0.000 -0.000 0.000 3/54675 70.0 12.193 12.193 20.710 0.000 -0.000 0.000 3/54675 80.0 9.628 9.628 16.470 0.000 -0.000 0.000 3/54675 90.0 7.891 7.891 13.557 0.000 -0.000 0.000 3/54675 100.0 6.657 6.657 11.463 0.000 -0.000 0.000 3/54675 110.0 5.747 5.747 9.902 0.000 -0.000 0.000 3/54675 120.0 5.052 5.052 8.702 0.000 -0.000 0.000 3/54675 130.0 4.508 4.508 7.756 0.000 -0.000 0.000 3/54675 140.0 4.073 4.073 6.994 0.000 -0.000 0.000 3/54675 150.0 3.717 3.717 6.368 0.000 -0.000 0.000 3/54675 160.0 3.422 3.422 5.846 0.000 -0.000 0.000 3/54675 170.0 3.173 3.173 5.405 0.000 -0.000 0.000 3/54675 180.0 2.960 2.960 5.027 0.000 -0.000 0.000 3/54675 190.0 2.776 2.776 4.700 0.000 -0.000 0.000 3/54675 200.0 2.616 2.616 4.415 0.000 -0.000 0.000 3/54675 210.0 2.475 2.475 4.163 0.000 -0.000 0.000 3/54675 220.0 2.349 2.349 3.940 0.000 -0.000 0.000 3/54675 230.0 2.237 2.237 3.741 0.000 -0.000 0.000 3/54675 240.0 2.136 2.136 3.561 0.000 -0.000 0.000 3/54675 250.0 2.044 2.044 3.399 0.000 -0.000 0.000 3/54675 260.0 1.961 1.961 3.251 0.000 -0.000 0.000 3/54675 270.0 1.885 1.885 3.117 0.000 -0.000 0.000 3/54675 280.0 1.814 1.814 2.993 0.000 -0.000 0.000 3/54675 290.0 1.750 1.750 2.879 0.000 -0.000 0.000 3/54675 300.0 1.690 1.690 2.774 0.000 -0.000 0.000 3/54675 310.0 1.634 1.634 2.677 0.000 -0.000 0.000 3/54675 320.0 1.582 1.582 2.587 0.000 -0.000 0.000 3/54675 330.0 1.533 1.533 2.502 0.000 -0.000 0.000 3/54675 340.0 1.487 1.487 2.423 0.000 -0.000 0.000 3/54675 350.0 1.445 1.445 2.349 0.000 -0.000 0.000 3/54675 360.0 1.404 1.404 2.280 0.000 -0.000 0.000 3/54675 370.0 1.366 1.366 2.215 0.000 -0.000 0.000 3/54675 380.0 1.330 1.330 2.153 0.000 -0.000 0.000 3/54675 390.0 1.296 1.296 2.095 0.000 -0.000 0.000 3/54675 400.0 1.264 1.264 2.040 0.000 -0.000 0.000 3/54675 410.0 1.233 1.233 1.988 0.000 -0.000 0.000 3/54675 420.0 1.204 1.204 1.939 0.000 -0.000 0.000 3/54675 430.0 1.176 1.176 1.892 0.000 -0.000 0.000 3/54675 440.0 1.149 1.149 1.847 0.000 -0.000 0.000 3/54675 450.0 1.124 1.124 1.805 0.000 -0.000 0.000 3/54675 460.0 1.100 1.100 1.764 0.000 -0.000 0.000 3/54675 470.0 1.077 1.077 1.725 0.000 -0.000 0.000 3/54675 480.0 1.054 1.054 1.688 0.000 -0.000 0.000 3/54675 490.0 1.033 1.033 1.653 0.000 -0.000 0.000 3/54675 500.0 1.013 1.013 1.619 0.000 -0.000 0.000 3/54675 510.0 0.993 0.993 1.586 0.000 -0.000 0.000 3/54675 520.0 0.974 0.974 1.555 0.000 -0.000 0.000 3/54675 530.0 0.956 0.956 1.525 0.000 -0.000 0.000 3/54675 540.0 0.938 0.938 1.496 0.000 -0.000 0.000 3/54675 550.0 0.921 0.921 1.468 0.000 -0.000 0.000 3/54675 560.0 0.905 0.905 1.441 0.000 -0.000 0.000 3/54675 570.0 0.889 0.889 1.415 0.000 -0.000 0.000 3/54675 580.0 0.874 0.874 1.390 0.000 -0.000 0.000 3/54675 590.0 0.860 0.860 1.366 0.000 -0.000 0.000 3/54675 600.0 0.845 0.845 1.343 0.000 -0.000 0.000 3/54675 610.0 0.832 0.832 1.321 0.000 -0.000 0.000 3/54675 620.0 0.818 0.818 1.299 0.000 -0.000 0.000 3/54675 630.0 0.806 0.806 1.278 0.000 -0.000 0.000 3/54675 640.0 0.793 0.793 1.258 0.000 -0.000 0.000 3/54675 650.0 0.781 0.781 1.238 0.000 -0.000 0.000 3/54675 660.0 0.769 0.769 1.219 0.000 -0.000 0.000 3/54675 670.0 0.758 0.758 1.201 0.000 -0.000 0.000 3/54675 680.0 0.747 0.747 1.183 0.000 -0.000 0.000 3/54675 690.0 0.736 0.736 1.165 0.000 -0.000 0.000 3/54675 700.0 0.726 0.726 1.148 0.000 -0.000 0.000 3/54675 710.0 0.716 0.716 1.132 0.000 -0.000 0.000 3/54675 720.0 0.706 0.706 1.116 0.000 -0.000 0.000 3/54675 730.0 0.696 0.696 1.101 0.000 -0.000 0.000 3/54675 740.0 0.687 0.687 1.086 0.000 -0.000 0.000 3/54675 750.0 0.678 0.678 1.071 0.000 -0.000 0.000 3/54675 760.0 0.669 0.669 1.057 0.000 -0.000 0.000 3/54675 770.0 0.660 0.660 1.043 0.000 -0.000 0.000 3/54675 780.0 0.652 0.652 1.029 0.000 -0.000 0.000 3/54675 790.0 0.644 0.644 1.016 0.000 -0.000 0.000 3/54675 800.0 0.636 0.636 1.003 0.000 -0.000 0.000 3/54675 810.0 0.628 0.628 0.991 0.000 -0.000 0.000 3/54675 820.0 0.620 0.620 0.979 0.000 -0.000 0.000 3/54675 830.0 0.613 0.613 0.967 0.000 -0.000 0.000 3/54675 840.0 0.606 0.606 0.955 0.000 -0.000 0.000 3/54675 850.0 0.599 0.599 0.944 0.000 -0.000 0.000 3/54675 860.0 0.592 0.592 0.933 0.000 -0.000 0.000 3/54675 870.0 0.585 0.585 0.922 0.000 -0.000 0.000 3/54675 880.0 0.578 0.578 0.911 0.000 -0.000 0.000 3/54675 890.0 0.572 0.572 0.901 0.000 -0.000 0.000 3/54675 900.0 0.566 0.566 0.891 0.000 -0.000 0.000 3/54675 910.0 0.559 0.559 0.881 0.000 -0.000 0.000 3/54675 920.0 0.553 0.553 0.871 0.000 -0.000 0.000 3/54675 930.0 0.547 0.547 0.862 0.000 -0.000 0.000 3/54675 940.0 0.542 0.542 0.853 0.000 -0.000 0.000 3/54675 950.0 0.536 0.536 0.844 0.000 -0.000 0.000 3/54675 960.0 0.531 0.531 0.835 0.000 -0.000 0.000 3/54675 970.0 0.525 0.525 0.826 0.000 -0.000 0.000 3/54675 980.0 0.520 0.520 0.818 0.000 -0.000 0.000 3/54675 990.0 0.515 0.515 0.809 0.000 -0.000 0.000 3/54675 1000.0 0.509 0.509 0.801 0.000 -0.000 0.000 3/54675 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:48:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|