----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:12:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.577195400050664 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): *1 O 0.24111474794817 0.41398561877578 0.29624021081355 15.999 2 O 0.75888525205183 0.91398561877578 0.20375978918645 15.999 3 O 0.75888525205183 0.58601438122422 0.70375978918645 15.999 4 O 0.24111474794817 0.08601438122422 0.79624021081355 15.999 *5 O 0.26491859256005 0.66127532217246 0.02121695037640 15.999 6 O 0.73508140743995 0.16127532217247 0.47878304962360 15.999 7 O 0.73508140743995 0.33872467782754 0.97878304962360 15.999 8 O 0.26491859256005 0.83872467782754 0.52121695037640 15.999 *9 O 0.94869195922260 0.68545343730595 0.90869661150734 15.999 10 O 0.05130804077740 0.18545343730595 0.59130338849266 15.999 11 O 0.05130804077740 0.31454656269405 0.09130338849266 15.999 12 O 0.94869195922260 0.81454656269405 0.40869661150734 15.999 *13 O 0.56065687639208 0.68528599600181 0.92918020877079 15.999 14 O 0.43934312360792 0.18528599600181 0.57081979122921 15.999 15 O 0.43934312360792 0.31471400399819 0.07081979122921 15.999 16 O 0.56065687639208 0.81471400399819 0.42918020877079 15.999 *17 O 0.04661019018112 0.86395550380360 0.12994043631702 15.999 18 O 0.95338980981888 0.36395550380360 0.37005956368298 15.999 19 O 0.95338980981888 0.13604449619640 0.87005956368298 15.999 20 O 0.04661019018112 0.63604449619640 0.62994043631702 15.999 *21 O 0.50312198924019 0.90942455892338 0.69693308723564 15.999 22 O 0.49687801075981 0.40942455892338 0.80306691276436 15.999 23 O 0.49687801075981 0.09057544107662 0.30306691276436 15.999 24 O 0.50312198924019 0.59057544107662 0.19693308723564 15.999 *25 O 0.00014267260057 0.92690530027281 0.69483186813416 15.999 26 O 0.99985732739943 0.42690530027281 0.80516813186584 15.999 27 O 0.99985732739943 0.07309469972719 0.30516813186584 15.999 28 O 0.00014267260057 0.57309469972719 0.19483186813416 15.999 *29 O 0.45472464546379 0.63998459596591 0.62695426704015 15.999 30 O 0.54527535453621 0.13998459596591 0.87304573295985 15.999 31 O 0.54527535453621 0.36001540403409 0.37304573295985 15.999 32 O 0.45472464546379 0.86001540403409 0.12695426704015 15.999 *33 Al 0.43118836914850 0.42210998570341 0.22491599789202 26.982 34 Al 0.56881163085150 0.92210998570341 0.27508400210798 26.982 35 Al 0.56881163085150 0.57789001429659 0.77508400210798 26.982 36 Al 0.43118836914850 0.07789001429659 0.72491599789202 26.982 *37 Al 0.07153428741359 0.69251668751947 0.06379088817824 26.982 38 Al 0.92846571258641 0.19251668751947 0.43620911182176 26.982 39 Al 0.92846571258641 0.30748331248053 0.93620911182176 26.982 40 Al 0.07153428741359 0.80748331248053 0.56379088817824 26.982 *41 Si 0.06216398742716 0.41710625287919 0.23300959579901 28.085 42 Si 0.93783601257284 0.91710625287919 0.26699040420099 28.085 43 Si 0.93783601257284 0.58289374712081 0.76699040420099 28.085 44 Si 0.06216398742716 0.08289374712081 0.73300959579901 28.085 *45 Si 0.44167548781337 0.69839614570409 0.06861633315057 28.085 46 Si 0.55832451218663 0.19839614570409 0.43138366684943 28.085 47 Si 0.55832451218663 0.30160385429591 0.93138366684943 28.085 48 Si 0.44167548781337 0.80160385429591 0.56861633315057 28.085 *49 Ba 0.75094102606146 0.91140891742988 0.89777542903273 137.327 50 Ba 0.24905897393854 0.41140891742988 0.60222457096727 137.327 51 Ba 0.24905897393854 0.08859108257012 0.10222457096727 137.327 52 Ba 0.75094102606146 0.58859108257012 0.39777542903273 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.577195400050664 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): *1 O 0.24111474794817 0.41398561877578 0.29624021081355 15.999 > 1 2 O 0.75888525205183 0.91398561877578 0.20375978918645 15.999 > 2 3 O 0.75888525205183 0.58601438122422 0.70375978918645 15.999 > 3 4 O 0.24111474794817 0.08601438122422 0.79624021081355 15.999 > 4 *5 O 0.26491859256005 0.66127532217246 0.02121695037640 15.999 > 5 6 O 0.73508140743995 0.16127532217247 0.47878304962360 15.999 > 6 7 O 0.73508140743995 0.33872467782754 0.97878304962360 15.999 > 7 8 O 0.26491859256005 0.83872467782754 0.52121695037640 15.999 > 8 *9 O 0.94869195922260 0.68545343730595 0.90869661150734 15.999 > 9 10 O 0.05130804077740 0.18545343730595 0.59130338849266 15.999 > 10 11 O 0.05130804077740 0.31454656269405 0.09130338849266 15.999 > 11 12 O 0.94869195922260 0.81454656269405 0.40869661150734 15.999 > 12 *13 O 0.56065687639208 0.68528599600181 0.92918020877079 15.999 > 13 14 O 0.43934312360792 0.18528599600181 0.57081979122921 15.999 > 14 15 O 0.43934312360792 0.31471400399819 0.07081979122921 15.999 > 15 16 O 0.56065687639208 0.81471400399819 0.42918020877079 15.999 > 16 *17 O 0.04661019018112 0.86395550380360 0.12994043631702 15.999 > 17 18 O 0.95338980981888 0.36395550380360 0.37005956368298 15.999 > 18 19 O 0.95338980981888 0.13604449619640 0.87005956368298 15.999 > 19 20 O 0.04661019018112 0.63604449619640 0.62994043631702 15.999 > 20 *21 O 0.50312198924019 0.90942455892338 0.69693308723564 15.999 > 21 22 O 0.49687801075981 0.40942455892338 0.80306691276436 15.999 > 22 23 O 0.49687801075981 0.09057544107662 0.30306691276436 15.999 > 23 24 O 0.50312198924019 0.59057544107662 0.19693308723564 15.999 > 24 *25 O 0.00014267260057 0.92690530027281 0.69483186813416 15.999 > 25 26 O 0.99985732739943 0.42690530027281 0.80516813186584 15.999 > 26 27 O 0.99985732739943 0.07309469972719 0.30516813186584 15.999 > 27 28 O 0.00014267260057 0.57309469972719 0.19483186813416 15.999 > 28 *29 O 0.45472464546379 0.63998459596591 0.62695426704015 15.999 > 29 30 O 0.54527535453621 0.13998459596591 0.87304573295985 15.999 > 30 31 O 0.54527535453621 0.36001540403409 0.37304573295985 15.999 > 31 32 O 0.45472464546379 0.86001540403409 0.12695426704015 15.999 > 32 *33 Al 0.43118836914850 0.42210998570341 0.22491599789202 26.982 > 33 34 Al 0.56881163085150 0.92210998570341 0.27508400210798 26.982 > 34 35 Al 0.56881163085150 0.57789001429659 0.77508400210798 26.982 > 35 36 Al 0.43118836914850 0.07789001429659 0.72491599789202 26.982 > 36 *37 Al 0.07153428741359 0.69251668751947 0.06379088817824 26.982 > 37 38 Al 0.92846571258641 0.19251668751947 0.43620911182176 26.982 > 38 39 Al 0.92846571258641 0.30748331248053 0.93620911182176 26.982 > 39 40 Al 0.07153428741359 0.80748331248053 0.56379088817824 26.982 > 40 *41 Si 0.06216398742716 0.41710625287919 0.23300959579901 28.085 > 41 42 Si 0.93783601257284 0.91710625287919 0.26699040420099 28.085 > 42 43 Si 0.93783601257284 0.58289374712081 0.76699040420099 28.085 > 43 44 Si 0.06216398742716 0.08289374712081 0.73300959579901 28.085 > 44 *45 Si 0.44167548781337 0.69839614570409 0.06861633315057 28.085 > 45 46 Si 0.55832451218663 0.19839614570409 0.43138366684943 28.085 > 46 47 Si 0.55832451218663 0.30160385429591 0.93138366684943 28.085 > 47 48 Si 0.44167548781337 0.80160385429591 0.56861633315057 28.085 > 48 *49 Ba 0.75094102606146 0.91140891742988 0.89777542903273 137.327 > 49 50 Ba 0.24905897393854 0.41140891742988 0.60222457096727 137.327 > 50 51 Ba 0.24905897393854 0.08859108257012 0.10222457096727 137.327 > 51 52 Ba 0.75094102606146 0.58859108257012 0.39777542903273 137.327 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.154390800101329 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): *1 O 0.12055737397408 0.41398561877578 0.29624021081355 15.999 > 1 2 O 0.62055737397408 0.41398561877578 0.29624021081355 15.999 > 1 3 O 0.37944262602592 0.91398561877578 0.20375978918645 15.999 > 2 4 O 0.87944262602592 0.91398561877578 0.20375978918645 15.999 > 2 5 O 0.37944262602592 0.58601438122422 0.70375978918645 15.999 > 3 6 O 0.87944262602592 0.58601438122422 0.70375978918645 15.999 > 3 7 O 0.12055737397408 0.08601438122422 0.79624021081355 15.999 > 4 8 O 0.62055737397408 0.08601438122422 0.79624021081355 15.999 > 4 *9 O 0.13245929628002 0.66127532217246 0.02121695037640 15.999 > 5 10 O 0.63245929628002 0.66127532217246 0.02121695037640 15.999 > 5 11 O 0.36754070371998 0.16127532217247 0.47878304962360 15.999 > 6 12 O 0.86754070371998 0.16127532217247 0.47878304962360 15.999 > 6 13 O 0.36754070371998 0.33872467782754 0.97878304962360 15.999 > 7 14 O 0.86754070371998 0.33872467782754 0.97878304962360 15.999 > 7 15 O 0.13245929628002 0.83872467782754 0.52121695037640 15.999 > 8 16 O 0.63245929628002 0.83872467782754 0.52121695037640 15.999 > 8 *17 O 0.47434597961130 0.68545343730595 0.90869661150734 15.999 > 9 18 O 0.97434597961130 0.68545343730595 0.90869661150734 15.999 > 9 19 O 0.02565402038870 0.18545343730595 0.59130338849266 15.999 > 10 20 O 0.52565402038870 0.18545343730595 0.59130338849266 15.999 > 10 21 O 0.02565402038870 0.31454656269405 0.09130338849266 15.999 > 11 22 O 0.52565402038870 0.31454656269405 0.09130338849266 15.999 > 11 23 O 0.47434597961130 0.81454656269405 0.40869661150734 15.999 > 12 24 O 0.97434597961130 0.81454656269405 0.40869661150734 15.999 > 12 *25 O 0.28032843819604 0.68528599600181 0.92918020877079 15.999 > 13 26 O 0.78032843819604 0.68528599600181 0.92918020877079 15.999 > 13 27 O 0.21967156180396 0.18528599600181 0.57081979122921 15.999 > 14 28 O 0.71967156180396 0.18528599600181 0.57081979122921 15.999 > 14 29 O 0.21967156180396 0.31471400399819 0.07081979122921 15.999 > 15 30 O 0.71967156180396 0.31471400399819 0.07081979122921 15.999 > 15 31 O 0.28032843819604 0.81471400399819 0.42918020877079 15.999 > 16 32 O 0.78032843819604 0.81471400399819 0.42918020877079 15.999 > 16 *33 O 0.02330509509056 0.86395550380360 0.12994043631702 15.999 > 17 34 O 0.52330509509056 0.86395550380360 0.12994043631702 15.999 > 17 35 O 0.47669490490944 0.36395550380360 0.37005956368298 15.999 > 18 36 O 0.97669490490944 0.36395550380360 0.37005956368298 15.999 > 18 37 O 0.47669490490944 0.13604449619640 0.87005956368298 15.999 > 19 38 O 0.97669490490944 0.13604449619640 0.87005956368298 15.999 > 19 39 O 0.02330509509056 0.63604449619640 0.62994043631702 15.999 > 20 40 O 0.52330509509056 0.63604449619640 0.62994043631702 15.999 > 20 *41 O 0.25156099462010 0.90942455892338 0.69693308723564 15.999 > 21 42 O 0.75156099462010 0.90942455892338 0.69693308723564 15.999 > 21 43 O 0.24843900537990 0.40942455892338 0.80306691276436 15.999 > 22 44 O 0.74843900537990 0.40942455892338 0.80306691276436 15.999 > 22 45 O 0.24843900537990 0.09057544107662 0.30306691276436 15.999 > 23 46 O 0.74843900537990 0.09057544107662 0.30306691276436 15.999 > 23 47 O 0.25156099462010 0.59057544107662 0.19693308723564 15.999 > 24 48 O 0.75156099462010 0.59057544107662 0.19693308723564 15.999 > 24 *49 O 0.00007133630028 0.92690530027281 0.69483186813416 15.999 > 25 50 O 0.50007133630028 0.92690530027281 0.69483186813416 15.999 > 25 51 O 0.49992866369972 0.42690530027281 0.80516813186584 15.999 > 26 52 O 0.99992866369972 0.42690530027281 0.80516813186584 15.999 > 26 53 O 0.49992866369972 0.07309469972719 0.30516813186584 15.999 > 27 54 O 0.99992866369972 0.07309469972719 0.30516813186584 15.999 > 27 55 O 0.00007133630028 0.57309469972719 0.19483186813416 15.999 > 28 56 O 0.50007133630028 0.57309469972719 0.19483186813416 15.999 > 28 *57 O 0.22736232273189 0.63998459596591 0.62695426704015 15.999 > 29 58 O 0.72736232273189 0.63998459596591 0.62695426704015 15.999 > 29 59 O 0.27263767726811 0.13998459596591 0.87304573295985 15.999 > 30 60 O 0.77263767726811 0.13998459596591 0.87304573295985 15.999 > 30 61 O 0.27263767726811 0.36001540403409 0.37304573295985 15.999 > 31 62 O 0.77263767726811 0.36001540403409 0.37304573295985 15.999 > 31 63 O 0.22736232273189 0.86001540403409 0.12695426704015 15.999 > 32 64 O 0.72736232273189 0.86001540403409 0.12695426704015 15.999 > 32 *65 Al 0.21559418457425 0.42210998570341 0.22491599789202 26.982 > 33 66 Al 0.71559418457425 0.42210998570341 0.22491599789202 26.982 > 33 67 Al 0.28440581542575 0.92210998570341 0.27508400210798 26.982 > 34 68 Al 0.78440581542575 0.92210998570341 0.27508400210798 26.982 > 34 69 Al 0.28440581542575 0.57789001429659 0.77508400210798 26.982 > 35 70 Al 0.78440581542575 0.57789001429659 0.77508400210798 26.982 > 35 71 Al 0.21559418457425 0.07789001429659 0.72491599789202 26.982 > 36 72 Al 0.71559418457425 0.07789001429659 0.72491599789202 26.982 > 36 *73 Al 0.03576714370679 0.69251668751947 0.06379088817824 26.982 > 37 74 Al 0.53576714370679 0.69251668751947 0.06379088817824 26.982 > 37 75 Al 0.46423285629321 0.19251668751947 0.43620911182176 26.982 > 38 76 Al 0.96423285629321 0.19251668751947 0.43620911182176 26.982 > 38 77 Al 0.46423285629321 0.30748331248053 0.93620911182176 26.982 > 39 78 Al 0.96423285629321 0.30748331248053 0.93620911182176 26.982 > 39 79 Al 0.03576714370679 0.80748331248053 0.56379088817824 26.982 > 40 80 Al 0.53576714370679 0.80748331248053 0.56379088817824 26.982 > 40 *81 Si 0.03108199371358 0.41710625287919 0.23300959579901 28.085 > 41 82 Si 0.53108199371358 0.41710625287919 0.23300959579901 28.085 > 41 83 Si 0.46891800628642 0.91710625287919 0.26699040420099 28.085 > 42 84 Si 0.96891800628642 0.91710625287919 0.26699040420099 28.085 > 42 85 Si 0.46891800628642 0.58289374712081 0.76699040420099 28.085 > 43 86 Si 0.96891800628642 0.58289374712081 0.76699040420099 28.085 > 43 87 Si 0.03108199371358 0.08289374712081 0.73300959579901 28.085 > 44 88 Si 0.53108199371358 0.08289374712081 0.73300959579901 28.085 > 44 *89 Si 0.22083774390669 0.69839614570409 0.06861633315057 28.085 > 45 90 Si 0.72083774390669 0.69839614570409 0.06861633315057 28.085 > 45 91 Si 0.27916225609331 0.19839614570409 0.43138366684943 28.085 > 46 92 Si 0.77916225609331 0.19839614570409 0.43138366684943 28.085 > 46 93 Si 0.27916225609331 0.30160385429591 0.93138366684943 28.085 > 47 94 Si 0.77916225609331 0.30160385429591 0.93138366684943 28.085 > 47 95 Si 0.22083774390669 0.80160385429591 0.56861633315057 28.085 > 48 96 Si 0.72083774390669 0.80160385429591 0.56861633315057 28.085 > 48 *97 Ba 0.37547051303073 0.91140891742988 0.89777542903273 137.327 > 49 98 Ba 0.87547051303073 0.91140891742988 0.89777542903273 137.327 > 49 99 Ba 0.12452948696927 0.41140891742988 0.60222457096727 137.327 > 50 100 Ba 0.62452948696927 0.41140891742988 0.60222457096727 137.327 > 50 101 Ba 0.12452948696927 0.08859108257012 0.10222457096727 137.327 > 51 102 Ba 0.62452948696927 0.08859108257012 0.10222457096727 137.327 > 51 103 Ba 0.37547051303073 0.58859108257012 0.39777542903273 137.327 > 52 104 Ba 0.87547051303073 0.58859108257012 0.39777542903273 137.327 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6729469 0.0000000 -0.0037757 0.0000000 2.6806783 0.0000000 -0.0037755 0.0000000 2.6274277 -------------------------- Born effective charges -------------------------- 1 O -2.4582724 -0.0058550 -0.0884872 0.0249605 -1.1279792 0.0462277 -0.0935181 0.0132406 -1.6596770 2 O -2.4582724 0.0058550 -0.0884872 -0.0249605 -1.1279792 -0.0462277 -0.0935181 -0.0132406 -1.6596770 3 O -2.4582724 -0.0058550 -0.0884872 0.0249605 -1.1279792 0.0462277 -0.0935181 0.0132406 -1.6596770 4 O -2.4582724 0.0058550 -0.0884872 -0.0249605 -1.1279792 -0.0462277 -0.0935181 -0.0132406 -1.6596770 5 O -2.6642141 -0.0614037 -0.0806734 -0.0992691 -1.2143825 0.0150461 -0.0711722 0.0158235 -1.1952609 6 O -2.6642141 0.0614037 -0.0806734 0.0992691 -1.2143825 -0.0150461 -0.0711722 -0.0158235 -1.1952609 7 O -2.6642141 -0.0614037 -0.0806734 -0.0992691 -1.2143825 0.0150461 -0.0711722 0.0158235 -1.1952609 8 O -2.6642141 0.0614037 -0.0806734 0.0992691 -1.2143825 -0.0150461 -0.0711722 -0.0158235 -1.1952609 9 O -1.4277896 0.1258170 -0.3623640 0.1396937 -1.7116414 -0.4149841 -0.4239271 -0.4861110 -2.1281618 10 O -1.4277896 -0.1258170 -0.3623640 -0.1396937 -1.7116414 0.4149841 -0.4239271 0.4861110 -2.1281618 11 O -1.4277896 0.1258170 -0.3623640 0.1396937 -1.7116414 -0.4149841 -0.4239271 -0.4861110 -2.1281618 12 O -1.4277896 -0.1258170 -0.3623640 -0.1396937 -1.7116414 0.4149841 -0.4239271 0.4861110 -2.1281618 13 O -1.5573489 -0.1149800 0.5412240 -0.1426293 -1.6101948 -0.2611379 0.5970765 -0.3260264 -2.1164284 14 O -1.5573489 0.1149800 0.5412240 0.1426293 -1.6101948 0.2611379 0.5970765 0.3260264 -2.1164284 15 O -1.5573489 -0.1149800 0.5412240 -0.1426293 -1.6101948 -0.2611379 0.5970765 -0.3260264 -2.1164284 16 O -1.5573489 0.1149800 0.5412240 0.1426293 -1.6101948 0.2611379 0.5970765 0.3260264 -2.1164284 17 O -1.6112035 0.1180092 0.3712828 0.0288266 -1.9117240 -0.3466795 0.3398753 -0.3616263 -1.7095330 18 O -1.6112035 -0.1180092 0.3712828 -0.0288266 -1.9117240 0.3466795 0.3398753 0.3616263 -1.7095330 19 O -1.6112035 0.1180092 0.3712828 0.0288266 -1.9117240 -0.3466795 0.3398753 -0.3616263 -1.7095330 20 O -1.6112035 -0.1180092 0.3712828 -0.0288266 -1.9117240 0.3466795 0.3398753 0.3616263 -1.7095330 21 O -1.4194537 0.0368940 -0.3291628 0.0078467 -2.0976510 -0.5097582 -0.3617265 -0.4623238 -1.7186462 22 O -1.4194537 -0.0368940 -0.3291628 -0.0078467 -2.0976510 0.5097582 -0.3617265 0.4623238 -1.7186462 23 O -1.4194537 0.0368940 -0.3291628 0.0078467 -2.0976510 -0.5097582 -0.3617265 -0.4623238 -1.7186462 24 O -1.4194537 -0.0368940 -0.3291628 -0.0078467 -2.0976510 0.5097582 -0.3617265 0.4623238 -1.7186462 25 O -1.4171429 -0.1736488 0.2422324 -0.1511021 -2.2026390 -0.4159932 0.2420005 -0.3867378 -1.5516019 26 O -1.4171429 0.1736488 0.2422324 0.1511021 -2.2026390 0.4159932 0.2420005 0.3867378 -1.5516019 27 O -1.4171429 -0.1736488 0.2422324 -0.1511021 -2.2026390 -0.4159932 0.2420005 -0.3867378 -1.5516019 28 O -1.4171429 0.1736488 0.2422324 0.1511021 -2.2026390 0.4159932 0.2420005 0.3867378 -1.5516019 29 O -1.4908213 0.0697371 -0.2119186 0.0231413 -2.2058736 0.4059860 -0.1946399 0.4113989 -1.5672057 30 O -1.4908213 -0.0697371 -0.2119186 -0.0231413 -2.2058736 -0.4059860 -0.1946399 -0.4113989 -1.5672057 31 O -1.4908213 0.0697371 -0.2119186 0.0231413 -2.2058736 0.4059860 -0.1946399 0.4113989 -1.5672057 32 O -1.4908213 -0.0697371 -0.2119186 -0.0231413 -2.2058736 -0.4059860 -0.1946399 -0.4113989 -1.5672057 33 Al 2.5394931 -0.0030084 -0.0867750 0.0319980 2.6456230 -0.1303358 0.0082384 -0.0309381 2.5993964 34 Al 2.5394931 0.0030084 -0.0867750 -0.0319980 2.6456230 0.1303358 0.0082384 0.0309381 2.5993964 35 Al 2.5394931 -0.0030084 -0.0867750 0.0319980 2.6456230 -0.1303358 0.0082384 -0.0309381 2.5993964 36 Al 2.5394931 0.0030084 -0.0867750 -0.0319980 2.6456230 0.1303358 0.0082384 0.0309381 2.5993964 37 Al 2.6959771 -0.1691292 0.0411692 0.0650381 2.6994393 -0.0425248 0.2275443 0.0521400 2.6191247 38 Al 2.6959771 0.1691292 0.0411692 -0.0650381 2.6994393 0.0425248 0.2275443 -0.0521400 2.6191247 39 Al 2.6959771 -0.1691292 0.0411692 0.0650381 2.6994393 -0.0425248 0.2275443 0.0521400 2.6191247 40 Al 2.6959771 0.1691292 0.0411692 -0.0650381 2.6994393 0.0425248 0.2275443 -0.0521400 2.6191247 41 Si 2.9461178 -0.0080155 0.0095788 -0.0965254 2.9389633 -0.0432809 -0.0009235 0.0301184 2.9831131 42 Si 2.9461178 0.0080155 0.0095788 0.0965254 2.9389633 0.0432809 -0.0009235 -0.0301184 2.9831131 43 Si 2.9461178 -0.0080155 0.0095788 -0.0965254 2.9389633 -0.0432809 -0.0009235 0.0301184 2.9831131 44 Si 2.9461178 0.0080155 0.0095788 0.0965254 2.9389633 0.0432809 -0.0009235 -0.0301184 2.9831131 45 Si 3.0367217 0.1437454 -0.0517470 0.0187629 3.1112577 -0.0542810 -0.2529959 0.0311546 2.9891954 46 Si 3.0367217 -0.1437454 -0.0517470 -0.0187629 3.1112577 0.0542810 -0.2529959 -0.0311546 2.9891954 47 Si 3.0367217 0.1437454 -0.0517470 0.0187629 3.1112577 -0.0542810 -0.2529959 0.0311546 2.9891954 48 Si 3.0367217 -0.1437454 -0.0517470 -0.0187629 3.1112577 0.0542810 -0.2529959 -0.0311546 2.9891954 49 Ba 2.8279365 0.0499908 0.0056409 0.0562720 2.6868021 -0.1390167 -0.0158317 -0.1372925 2.4556852 50 Ba 2.8279365 -0.0499908 0.0056409 -0.0562720 2.6868021 0.1390167 -0.0158317 0.1372925 2.4556852 51 Ba 2.8279365 0.0499908 0.0056409 0.0562720 2.6868021 -0.1390167 -0.0158317 -0.1372925 2.4556852 52 Ba 2.8279365 -0.0499908 0.0056409 -0.0562720 2.6868021 0.1390167 -0.0158317 0.1372925 2.4556852 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.557 Solver_block: 200 / 1600 - Time: 1.342 Solver_block: 300 / 1600 - Time: 1.335 Solver_block: 400 / 1600 - Time: 1.342 Solver_block: 500 / 1600 - Time: 1.340 Solver_block: 600 / 1600 - Time: 1.341 Solver_block: 700 / 1600 - Time: 1.343 Solver_block: 800 / 1600 - Time: 1.345 Solver_block: 900 / 1600 - Time: 1.337 Solver_block: 1000 / 1600 - Time: 1.340 Solver_block: 1100 / 1600 - Time: 1.339 Solver_block: 1200 / 1600 - Time: 1.343 Solver_block: 1300 / 1600 - Time: 1.342 Solver_block: 1400 / 1600 - Time: 1.339 Solver_block: 1500 / 1600 - Time: 1.344 Solver_block: 1600 / 1600 - Time: 1.338 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 22.258 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:13:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.577195400050664 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): 1 O 0.24111474794817 0.41398561877578 0.29624021081355 15.999 2 O 0.75888525205183 0.91398561877578 0.20375978918645 15.999 3 O 0.75888525205183 0.58601438122422 0.70375978918645 15.999 4 O 0.24111474794817 0.08601438122422 0.79624021081355 15.999 5 O 0.26491859256005 0.66127532217246 0.02121695037640 15.999 6 O 0.73508140743995 0.16127532217247 0.47878304962360 15.999 7 O 0.73508140743995 0.33872467782754 0.97878304962360 15.999 8 O 0.26491859256005 0.83872467782754 0.52121695037640 15.999 9 O 0.94869195922260 0.68545343730595 0.90869661150734 15.999 10 O 0.05130804077740 0.18545343730595 0.59130338849266 15.999 11 O 0.05130804077740 0.31454656269405 0.09130338849266 15.999 12 O 0.94869195922260 0.81454656269405 0.40869661150734 15.999 13 O 0.56065687639208 0.68528599600181 0.92918020877079 15.999 14 O 0.43934312360792 0.18528599600181 0.57081979122921 15.999 15 O 0.43934312360792 0.31471400399819 0.07081979122921 15.999 16 O 0.56065687639208 0.81471400399819 0.42918020877079 15.999 17 O 0.04661019018112 0.86395550380360 0.12994043631702 15.999 18 O 0.95338980981888 0.36395550380360 0.37005956368298 15.999 19 O 0.95338980981888 0.13604449619640 0.87005956368298 15.999 20 O 0.04661019018112 0.63604449619640 0.62994043631702 15.999 21 O 0.50312198924019 0.90942455892338 0.69693308723564 15.999 22 O 0.49687801075981 0.40942455892338 0.80306691276436 15.999 23 O 0.49687801075981 0.09057544107662 0.30306691276436 15.999 24 O 0.50312198924019 0.59057544107662 0.19693308723564 15.999 25 O 0.00014267260057 0.92690530027281 0.69483186813416 15.999 26 O 0.99985732739943 0.42690530027281 0.80516813186584 15.999 27 O 0.99985732739943 0.07309469972719 0.30516813186584 15.999 28 O 0.00014267260057 0.57309469972719 0.19483186813416 15.999 29 O 0.45472464546379 0.63998459596591 0.62695426704015 15.999 30 O 0.54527535453621 0.13998459596591 0.87304573295985 15.999 31 O 0.54527535453621 0.36001540403409 0.37304573295985 15.999 32 O 0.45472464546379 0.86001540403409 0.12695426704015 15.999 33 Al 0.43118836914850 0.42210998570341 0.22491599789202 26.982 34 Al 0.56881163085150 0.92210998570341 0.27508400210798 26.982 35 Al 0.56881163085150 0.57789001429659 0.77508400210798 26.982 36 Al 0.43118836914850 0.07789001429659 0.72491599789202 26.982 37 Al 0.07153428741359 0.69251668751947 0.06379088817824 26.982 38 Al 0.92846571258641 0.19251668751947 0.43620911182176 26.982 39 Al 0.92846571258641 0.30748331248053 0.93620911182176 26.982 40 Al 0.07153428741359 0.80748331248053 0.56379088817824 26.982 41 Si 0.06216398742716 0.41710625287919 0.23300959579901 28.085 42 Si 0.93783601257284 0.91710625287919 0.26699040420099 28.085 43 Si 0.93783601257284 0.58289374712081 0.76699040420099 28.085 44 Si 0.06216398742716 0.08289374712081 0.73300959579901 28.085 45 Si 0.44167548781337 0.69839614570409 0.06861633315057 28.085 46 Si 0.55832451218663 0.19839614570409 0.43138366684943 28.085 47 Si 0.55832451218663 0.30160385429591 0.93138366684943 28.085 48 Si 0.44167548781337 0.80160385429591 0.56861633315057 28.085 49 Ba 0.75094102606146 0.91140891742988 0.89777542903273 137.327 50 Ba 0.24905897393854 0.41140891742988 0.60222457096727 137.327 51 Ba 0.24905897393854 0.08859108257012 0.10222457096727 137.327 52 Ba 0.75094102606146 0.58859108257012 0.39777542903273 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.154390800101329 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): 1 O 0.12055737397408 0.41398561877578 0.29624021081355 15.999 > 1 2 O 0.62055737397408 0.41398561877578 0.29624021081355 15.999 > 1 3 O 0.37944262602592 0.91398561877578 0.20375978918645 15.999 > 3 4 O 0.87944262602592 0.91398561877578 0.20375978918645 15.999 > 3 5 O 0.37944262602592 0.58601438122422 0.70375978918645 15.999 > 5 6 O 0.87944262602592 0.58601438122422 0.70375978918645 15.999 > 5 7 O 0.12055737397408 0.08601438122422 0.79624021081355 15.999 > 7 8 O 0.62055737397408 0.08601438122422 0.79624021081355 15.999 > 7 9 O 0.13245929628002 0.66127532217246 0.02121695037640 15.999 > 9 10 O 0.63245929628002 0.66127532217246 0.02121695037640 15.999 > 9 11 O 0.36754070371998 0.16127532217247 0.47878304962360 15.999 > 11 12 O 0.86754070371998 0.16127532217247 0.47878304962360 15.999 > 11 13 O 0.36754070371998 0.33872467782754 0.97878304962360 15.999 > 13 14 O 0.86754070371998 0.33872467782754 0.97878304962360 15.999 > 13 15 O 0.13245929628002 0.83872467782754 0.52121695037640 15.999 > 15 16 O 0.63245929628002 0.83872467782754 0.52121695037640 15.999 > 15 17 O 0.47434597961130 0.68545343730595 0.90869661150734 15.999 > 17 18 O 0.97434597961130 0.68545343730595 0.90869661150734 15.999 > 17 19 O 0.02565402038870 0.18545343730595 0.59130338849266 15.999 > 19 20 O 0.52565402038870 0.18545343730595 0.59130338849266 15.999 > 19 21 O 0.02565402038870 0.31454656269405 0.09130338849266 15.999 > 21 22 O 0.52565402038870 0.31454656269405 0.09130338849266 15.999 > 21 23 O 0.47434597961130 0.81454656269405 0.40869661150734 15.999 > 23 24 O 0.97434597961130 0.81454656269405 0.40869661150734 15.999 > 23 25 O 0.28032843819604 0.68528599600181 0.92918020877079 15.999 > 25 26 O 0.78032843819604 0.68528599600181 0.92918020877079 15.999 > 25 27 O 0.21967156180396 0.18528599600181 0.57081979122921 15.999 > 27 28 O 0.71967156180396 0.18528599600181 0.57081979122921 15.999 > 27 29 O 0.21967156180396 0.31471400399819 0.07081979122921 15.999 > 29 30 O 0.71967156180396 0.31471400399819 0.07081979122921 15.999 > 29 31 O 0.28032843819604 0.81471400399819 0.42918020877079 15.999 > 31 32 O 0.78032843819604 0.81471400399819 0.42918020877079 15.999 > 31 33 O 0.02330509509056 0.86395550380360 0.12994043631702 15.999 > 33 34 O 0.52330509509056 0.86395550380360 0.12994043631702 15.999 > 33 35 O 0.47669490490944 0.36395550380360 0.37005956368298 15.999 > 35 36 O 0.97669490490944 0.36395550380360 0.37005956368298 15.999 > 35 37 O 0.47669490490944 0.13604449619640 0.87005956368298 15.999 > 37 38 O 0.97669490490944 0.13604449619640 0.87005956368298 15.999 > 37 39 O 0.02330509509056 0.63604449619640 0.62994043631702 15.999 > 39 40 O 0.52330509509056 0.63604449619640 0.62994043631702 15.999 > 39 41 O 0.25156099462010 0.90942455892338 0.69693308723564 15.999 > 41 42 O 0.75156099462010 0.90942455892338 0.69693308723564 15.999 > 41 43 O 0.24843900537990 0.40942455892338 0.80306691276436 15.999 > 43 44 O 0.74843900537990 0.40942455892338 0.80306691276436 15.999 > 43 45 O 0.24843900537990 0.09057544107662 0.30306691276436 15.999 > 45 46 O 0.74843900537990 0.09057544107662 0.30306691276436 15.999 > 45 47 O 0.25156099462010 0.59057544107662 0.19693308723564 15.999 > 47 48 O 0.75156099462010 0.59057544107662 0.19693308723564 15.999 > 47 49 O 0.00007133630028 0.92690530027281 0.69483186813416 15.999 > 49 50 O 0.50007133630028 0.92690530027281 0.69483186813416 15.999 > 49 51 O 0.49992866369972 0.42690530027281 0.80516813186584 15.999 > 51 52 O 0.99992866369972 0.42690530027281 0.80516813186584 15.999 > 51 53 O 0.49992866369972 0.07309469972719 0.30516813186584 15.999 > 53 54 O 0.99992866369972 0.07309469972719 0.30516813186584 15.999 > 53 55 O 0.00007133630028 0.57309469972719 0.19483186813416 15.999 > 55 56 O 0.50007133630028 0.57309469972719 0.19483186813416 15.999 > 55 57 O 0.22736232273189 0.63998459596591 0.62695426704015 15.999 > 57 58 O 0.72736232273189 0.63998459596591 0.62695426704015 15.999 > 57 59 O 0.27263767726811 0.13998459596591 0.87304573295985 15.999 > 59 60 O 0.77263767726811 0.13998459596591 0.87304573295985 15.999 > 59 61 O 0.27263767726811 0.36001540403409 0.37304573295985 15.999 > 61 62 O 0.77263767726811 0.36001540403409 0.37304573295985 15.999 > 61 63 O 0.22736232273189 0.86001540403409 0.12695426704015 15.999 > 63 64 O 0.72736232273189 0.86001540403409 0.12695426704015 15.999 > 63 65 Al 0.21559418457425 0.42210998570341 0.22491599789202 26.982 > 65 66 Al 0.71559418457425 0.42210998570341 0.22491599789202 26.982 > 65 67 Al 0.28440581542575 0.92210998570341 0.27508400210798 26.982 > 67 68 Al 0.78440581542575 0.92210998570341 0.27508400210798 26.982 > 67 69 Al 0.28440581542575 0.57789001429659 0.77508400210798 26.982 > 69 70 Al 0.78440581542575 0.57789001429659 0.77508400210798 26.982 > 69 71 Al 0.21559418457425 0.07789001429659 0.72491599789202 26.982 > 71 72 Al 0.71559418457425 0.07789001429659 0.72491599789202 26.982 > 71 73 Al 0.03576714370679 0.69251668751947 0.06379088817824 26.982 > 73 74 Al 0.53576714370679 0.69251668751947 0.06379088817824 26.982 > 73 75 Al 0.46423285629321 0.19251668751947 0.43620911182176 26.982 > 75 76 Al 0.96423285629321 0.19251668751947 0.43620911182176 26.982 > 75 77 Al 0.46423285629321 0.30748331248053 0.93620911182176 26.982 > 77 78 Al 0.96423285629321 0.30748331248053 0.93620911182176 26.982 > 77 79 Al 0.03576714370679 0.80748331248053 0.56379088817824 26.982 > 79 80 Al 0.53576714370679 0.80748331248053 0.56379088817824 26.982 > 79 81 Si 0.03108199371358 0.41710625287919 0.23300959579901 28.085 > 81 82 Si 0.53108199371358 0.41710625287919 0.23300959579901 28.085 > 81 83 Si 0.46891800628642 0.91710625287919 0.26699040420099 28.085 > 83 84 Si 0.96891800628642 0.91710625287919 0.26699040420099 28.085 > 83 85 Si 0.46891800628642 0.58289374712081 0.76699040420099 28.085 > 85 86 Si 0.96891800628642 0.58289374712081 0.76699040420099 28.085 > 85 87 Si 0.03108199371358 0.08289374712081 0.73300959579901 28.085 > 87 88 Si 0.53108199371358 0.08289374712081 0.73300959579901 28.085 > 87 89 Si 0.22083774390669 0.69839614570409 0.06861633315057 28.085 > 89 90 Si 0.72083774390669 0.69839614570409 0.06861633315057 28.085 > 89 91 Si 0.27916225609331 0.19839614570409 0.43138366684943 28.085 > 91 92 Si 0.77916225609331 0.19839614570409 0.43138366684943 28.085 > 91 93 Si 0.27916225609331 0.30160385429591 0.93138366684943 28.085 > 93 94 Si 0.77916225609331 0.30160385429591 0.93138366684943 28.085 > 93 95 Si 0.22083774390669 0.80160385429591 0.56861633315057 28.085 > 95 96 Si 0.72083774390669 0.80160385429591 0.56861633315057 28.085 > 95 97 Ba 0.37547051303073 0.91140891742988 0.89777542903273 137.327 > 97 98 Ba 0.87547051303073 0.91140891742988 0.89777542903273 137.327 > 97 99 Ba 0.12452948696927 0.41140891742988 0.60222457096727 137.327 > 99 100 Ba 0.62452948696927 0.41140891742988 0.60222457096727 137.327 > 99 101 Ba 0.12452948696927 0.08859108257012 0.10222457096727 137.327 > 101 102 Ba 0.62452948696927 0.08859108257012 0.10222457096727 137.327 > 101 103 Ba 0.37547051303073 0.58859108257012 0.39777542903273 137.327 > 103 104 Ba 0.87547051303073 0.58859108257012 0.39777542903273 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6729469 0.0000000 -0.0037757 0.0000000 2.6806783 0.0000000 -0.0037755 0.0000000 2.6274277 -------------------------- Born effective charges -------------------------- 1 O -2.4582724 -0.0058550 -0.0884872 0.0249605 -1.1279792 0.0462277 -0.0935181 0.0132406 -1.6596770 2 O -2.4582724 0.0058550 -0.0884872 -0.0249605 -1.1279792 -0.0462277 -0.0935181 -0.0132406 -1.6596770 3 O -2.4582724 -0.0058550 -0.0884872 0.0249605 -1.1279792 0.0462277 -0.0935181 0.0132406 -1.6596770 4 O -2.4582724 0.0058550 -0.0884872 -0.0249605 -1.1279792 -0.0462277 -0.0935181 -0.0132406 -1.6596770 5 O -2.6642141 -0.0614037 -0.0806734 -0.0992691 -1.2143825 0.0150461 -0.0711722 0.0158235 -1.1952609 6 O -2.6642141 0.0614037 -0.0806734 0.0992691 -1.2143825 -0.0150461 -0.0711722 -0.0158235 -1.1952609 7 O -2.6642141 -0.0614037 -0.0806734 -0.0992691 -1.2143825 0.0150461 -0.0711722 0.0158235 -1.1952609 8 O -2.6642141 0.0614037 -0.0806734 0.0992691 -1.2143825 -0.0150461 -0.0711722 -0.0158235 -1.1952609 9 O -1.4277896 0.1258170 -0.3623640 0.1396937 -1.7116414 -0.4149841 -0.4239271 -0.4861110 -2.1281618 10 O -1.4277896 -0.1258170 -0.3623640 -0.1396937 -1.7116414 0.4149841 -0.4239271 0.4861110 -2.1281618 11 O -1.4277896 0.1258170 -0.3623640 0.1396937 -1.7116414 -0.4149841 -0.4239271 -0.4861110 -2.1281618 12 O -1.4277896 -0.1258170 -0.3623640 -0.1396937 -1.7116414 0.4149841 -0.4239271 0.4861110 -2.1281618 13 O -1.5573489 -0.1149800 0.5412240 -0.1426293 -1.6101948 -0.2611379 0.5970765 -0.3260264 -2.1164284 14 O -1.5573489 0.1149800 0.5412240 0.1426293 -1.6101948 0.2611379 0.5970765 0.3260264 -2.1164284 15 O -1.5573489 -0.1149800 0.5412240 -0.1426293 -1.6101948 -0.2611379 0.5970765 -0.3260264 -2.1164284 16 O -1.5573489 0.1149800 0.5412240 0.1426293 -1.6101948 0.2611379 0.5970765 0.3260264 -2.1164284 17 O -1.6112035 0.1180092 0.3712828 0.0288266 -1.9117240 -0.3466795 0.3398753 -0.3616263 -1.7095330 18 O -1.6112035 -0.1180092 0.3712828 -0.0288266 -1.9117240 0.3466795 0.3398753 0.3616263 -1.7095330 19 O -1.6112035 0.1180092 0.3712828 0.0288266 -1.9117240 -0.3466795 0.3398753 -0.3616263 -1.7095330 20 O -1.6112035 -0.1180092 0.3712828 -0.0288266 -1.9117240 0.3466795 0.3398753 0.3616263 -1.7095330 21 O -1.4194537 0.0368940 -0.3291628 0.0078467 -2.0976510 -0.5097582 -0.3617265 -0.4623238 -1.7186462 22 O -1.4194537 -0.0368940 -0.3291628 -0.0078467 -2.0976510 0.5097582 -0.3617265 0.4623238 -1.7186462 23 O -1.4194537 0.0368940 -0.3291628 0.0078467 -2.0976510 -0.5097582 -0.3617265 -0.4623238 -1.7186462 24 O -1.4194537 -0.0368940 -0.3291628 -0.0078467 -2.0976510 0.5097582 -0.3617265 0.4623238 -1.7186462 25 O -1.4171429 -0.1736488 0.2422324 -0.1511021 -2.2026390 -0.4159932 0.2420005 -0.3867378 -1.5516019 26 O -1.4171429 0.1736488 0.2422324 0.1511021 -2.2026390 0.4159932 0.2420005 0.3867378 -1.5516019 27 O -1.4171429 -0.1736488 0.2422324 -0.1511021 -2.2026390 -0.4159932 0.2420005 -0.3867378 -1.5516019 28 O -1.4171429 0.1736488 0.2422324 0.1511021 -2.2026390 0.4159932 0.2420005 0.3867378 -1.5516019 29 O -1.4908213 0.0697371 -0.2119186 0.0231413 -2.2058736 0.4059860 -0.1946399 0.4113989 -1.5672057 30 O -1.4908213 -0.0697371 -0.2119186 -0.0231413 -2.2058736 -0.4059860 -0.1946399 -0.4113989 -1.5672057 31 O -1.4908213 0.0697371 -0.2119186 0.0231413 -2.2058736 0.4059860 -0.1946399 0.4113989 -1.5672057 32 O -1.4908213 -0.0697371 -0.2119186 -0.0231413 -2.2058736 -0.4059860 -0.1946399 -0.4113989 -1.5672057 33 Al 2.5394931 -0.0030084 -0.0867750 0.0319980 2.6456230 -0.1303358 0.0082384 -0.0309381 2.5993964 34 Al 2.5394931 0.0030084 -0.0867750 -0.0319980 2.6456230 0.1303358 0.0082384 0.0309381 2.5993964 35 Al 2.5394931 -0.0030084 -0.0867750 0.0319980 2.6456230 -0.1303358 0.0082384 -0.0309381 2.5993964 36 Al 2.5394931 0.0030084 -0.0867750 -0.0319980 2.6456230 0.1303358 0.0082384 0.0309381 2.5993964 37 Al 2.6959771 -0.1691292 0.0411692 0.0650381 2.6994393 -0.0425248 0.2275443 0.0521400 2.6191247 38 Al 2.6959771 0.1691292 0.0411692 -0.0650381 2.6994393 0.0425248 0.2275443 -0.0521400 2.6191247 39 Al 2.6959771 -0.1691292 0.0411692 0.0650381 2.6994393 -0.0425248 0.2275443 0.0521400 2.6191247 40 Al 2.6959771 0.1691292 0.0411692 -0.0650381 2.6994393 0.0425248 0.2275443 -0.0521400 2.6191247 41 Si 2.9461178 -0.0080155 0.0095788 -0.0965254 2.9389633 -0.0432809 -0.0009235 0.0301184 2.9831131 42 Si 2.9461178 0.0080155 0.0095788 0.0965254 2.9389633 0.0432809 -0.0009235 -0.0301184 2.9831131 43 Si 2.9461178 -0.0080155 0.0095788 -0.0965254 2.9389633 -0.0432809 -0.0009235 0.0301184 2.9831131 44 Si 2.9461178 0.0080155 0.0095788 0.0965254 2.9389633 0.0432809 -0.0009235 -0.0301184 2.9831131 45 Si 3.0367217 0.1437454 -0.0517470 0.0187629 3.1112577 -0.0542810 -0.2529959 0.0311546 2.9891954 46 Si 3.0367217 -0.1437454 -0.0517470 -0.0187629 3.1112577 0.0542810 -0.2529959 -0.0311546 2.9891954 47 Si 3.0367217 0.1437454 -0.0517470 0.0187629 3.1112577 -0.0542810 -0.2529959 0.0311546 2.9891954 48 Si 3.0367217 -0.1437454 -0.0517470 -0.0187629 3.1112577 0.0542810 -0.2529959 -0.0311546 2.9891954 49 Ba 2.8279365 0.0499908 0.0056409 0.0562720 2.6868021 -0.1390167 -0.0158317 -0.1372925 2.4556852 50 Ba 2.8279365 -0.0499908 0.0056409 -0.0562720 2.6868021 0.1390167 -0.0158317 0.1372925 2.4556852 51 Ba 2.8279365 0.0499908 0.0056409 0.0562720 2.6868021 -0.1390167 -0.0158317 -0.1372925 2.4556852 52 Ba 2.8279365 -0.0499908 0.0056409 -0.0562720 2.6868021 0.1390167 -0.0158317 0.1372925 2.4556852 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:14:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.577195400050664 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): 1 O 0.24111474794817 0.41398561877578 0.29624021081355 15.999 2 O 0.75888525205183 0.91398561877578 0.20375978918645 15.999 3 O 0.75888525205183 0.58601438122422 0.70375978918645 15.999 4 O 0.24111474794817 0.08601438122422 0.79624021081355 15.999 5 O 0.26491859256005 0.66127532217246 0.02121695037640 15.999 6 O 0.73508140743995 0.16127532217247 0.47878304962360 15.999 7 O 0.73508140743995 0.33872467782754 0.97878304962360 15.999 8 O 0.26491859256005 0.83872467782754 0.52121695037640 15.999 9 O 0.94869195922260 0.68545343730595 0.90869661150734 15.999 10 O 0.05130804077740 0.18545343730595 0.59130338849266 15.999 11 O 0.05130804077740 0.31454656269405 0.09130338849266 15.999 12 O 0.94869195922260 0.81454656269405 0.40869661150734 15.999 13 O 0.56065687639208 0.68528599600181 0.92918020877079 15.999 14 O 0.43934312360792 0.18528599600181 0.57081979122921 15.999 15 O 0.43934312360792 0.31471400399819 0.07081979122921 15.999 16 O 0.56065687639208 0.81471400399819 0.42918020877079 15.999 17 O 0.04661019018112 0.86395550380360 0.12994043631702 15.999 18 O 0.95338980981888 0.36395550380360 0.37005956368298 15.999 19 O 0.95338980981888 0.13604449619640 0.87005956368298 15.999 20 O 0.04661019018112 0.63604449619640 0.62994043631702 15.999 21 O 0.50312198924019 0.90942455892338 0.69693308723564 15.999 22 O 0.49687801075981 0.40942455892338 0.80306691276436 15.999 23 O 0.49687801075981 0.09057544107662 0.30306691276436 15.999 24 O 0.50312198924019 0.59057544107662 0.19693308723564 15.999 25 O 0.00014267260057 0.92690530027281 0.69483186813416 15.999 26 O 0.99985732739943 0.42690530027281 0.80516813186584 15.999 27 O 0.99985732739943 0.07309469972719 0.30516813186584 15.999 28 O 0.00014267260057 0.57309469972719 0.19483186813416 15.999 29 O 0.45472464546379 0.63998459596591 0.62695426704015 15.999 30 O 0.54527535453621 0.13998459596591 0.87304573295985 15.999 31 O 0.54527535453621 0.36001540403409 0.37304573295985 15.999 32 O 0.45472464546379 0.86001540403409 0.12695426704015 15.999 33 Al 0.43118836914850 0.42210998570341 0.22491599789202 26.982 34 Al 0.56881163085150 0.92210998570341 0.27508400210798 26.982 35 Al 0.56881163085150 0.57789001429659 0.77508400210798 26.982 36 Al 0.43118836914850 0.07789001429659 0.72491599789202 26.982 37 Al 0.07153428741359 0.69251668751947 0.06379088817824 26.982 38 Al 0.92846571258641 0.19251668751947 0.43620911182176 26.982 39 Al 0.92846571258641 0.30748331248053 0.93620911182176 26.982 40 Al 0.07153428741359 0.80748331248053 0.56379088817824 26.982 41 Si 0.06216398742716 0.41710625287919 0.23300959579901 28.085 42 Si 0.93783601257284 0.91710625287919 0.26699040420099 28.085 43 Si 0.93783601257284 0.58289374712081 0.76699040420099 28.085 44 Si 0.06216398742716 0.08289374712081 0.73300959579901 28.085 45 Si 0.44167548781337 0.69839614570409 0.06861633315057 28.085 46 Si 0.55832451218663 0.19839614570409 0.43138366684943 28.085 47 Si 0.55832451218663 0.30160385429591 0.93138366684943 28.085 48 Si 0.44167548781337 0.80160385429591 0.56861633315057 28.085 49 Ba 0.75094102606146 0.91140891742988 0.89777542903273 137.327 50 Ba 0.24905897393854 0.41140891742988 0.60222457096727 137.327 51 Ba 0.24905897393854 0.08859108257012 0.10222457096727 137.327 52 Ba 0.75094102606146 0.58859108257012 0.39777542903273 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.154390800101329 0.000000000000000 0.000000000000000 b 0.000000000000000 9.625143319999998 0.000000000000000 c -0.031794763835972 0.000000000000000 9.102698229333036 Atomic positions (fractional): 1 O 0.12055737397408 0.41398561877578 0.29624021081355 15.999 > 1 2 O 0.62055737397408 0.41398561877578 0.29624021081355 15.999 > 1 3 O 0.37944262602592 0.91398561877578 0.20375978918645 15.999 > 3 4 O 0.87944262602592 0.91398561877578 0.20375978918645 15.999 > 3 5 O 0.37944262602592 0.58601438122422 0.70375978918645 15.999 > 5 6 O 0.87944262602592 0.58601438122422 0.70375978918645 15.999 > 5 7 O 0.12055737397408 0.08601438122422 0.79624021081355 15.999 > 7 8 O 0.62055737397408 0.08601438122422 0.79624021081355 15.999 > 7 9 O 0.13245929628002 0.66127532217246 0.02121695037640 15.999 > 9 10 O 0.63245929628002 0.66127532217246 0.02121695037640 15.999 > 9 11 O 0.36754070371998 0.16127532217247 0.47878304962360 15.999 > 11 12 O 0.86754070371998 0.16127532217247 0.47878304962360 15.999 > 11 13 O 0.36754070371998 0.33872467782754 0.97878304962360 15.999 > 13 14 O 0.86754070371998 0.33872467782754 0.97878304962360 15.999 > 13 15 O 0.13245929628002 0.83872467782754 0.52121695037640 15.999 > 15 16 O 0.63245929628002 0.83872467782754 0.52121695037640 15.999 > 15 17 O 0.47434597961130 0.68545343730595 0.90869661150734 15.999 > 17 18 O 0.97434597961130 0.68545343730595 0.90869661150734 15.999 > 17 19 O 0.02565402038870 0.18545343730595 0.59130338849266 15.999 > 19 20 O 0.52565402038870 0.18545343730595 0.59130338849266 15.999 > 19 21 O 0.02565402038870 0.31454656269405 0.09130338849266 15.999 > 21 22 O 0.52565402038870 0.31454656269405 0.09130338849266 15.999 > 21 23 O 0.47434597961130 0.81454656269405 0.40869661150734 15.999 > 23 24 O 0.97434597961130 0.81454656269405 0.40869661150734 15.999 > 23 25 O 0.28032843819604 0.68528599600181 0.92918020877079 15.999 > 25 26 O 0.78032843819604 0.68528599600181 0.92918020877079 15.999 > 25 27 O 0.21967156180396 0.18528599600181 0.57081979122921 15.999 > 27 28 O 0.71967156180396 0.18528599600181 0.57081979122921 15.999 > 27 29 O 0.21967156180396 0.31471400399819 0.07081979122921 15.999 > 29 30 O 0.71967156180396 0.31471400399819 0.07081979122921 15.999 > 29 31 O 0.28032843819604 0.81471400399819 0.42918020877079 15.999 > 31 32 O 0.78032843819604 0.81471400399819 0.42918020877079 15.999 > 31 33 O 0.02330509509056 0.86395550380360 0.12994043631702 15.999 > 33 34 O 0.52330509509056 0.86395550380360 0.12994043631702 15.999 > 33 35 O 0.47669490490944 0.36395550380360 0.37005956368298 15.999 > 35 36 O 0.97669490490944 0.36395550380360 0.37005956368298 15.999 > 35 37 O 0.47669490490944 0.13604449619640 0.87005956368298 15.999 > 37 38 O 0.97669490490944 0.13604449619640 0.87005956368298 15.999 > 37 39 O 0.02330509509056 0.63604449619640 0.62994043631702 15.999 > 39 40 O 0.52330509509056 0.63604449619640 0.62994043631702 15.999 > 39 41 O 0.25156099462010 0.90942455892338 0.69693308723564 15.999 > 41 42 O 0.75156099462010 0.90942455892338 0.69693308723564 15.999 > 41 43 O 0.24843900537990 0.40942455892338 0.80306691276436 15.999 > 43 44 O 0.74843900537990 0.40942455892338 0.80306691276436 15.999 > 43 45 O 0.24843900537990 0.09057544107662 0.30306691276436 15.999 > 45 46 O 0.74843900537990 0.09057544107662 0.30306691276436 15.999 > 45 47 O 0.25156099462010 0.59057544107662 0.19693308723564 15.999 > 47 48 O 0.75156099462010 0.59057544107662 0.19693308723564 15.999 > 47 49 O 0.00007133630028 0.92690530027281 0.69483186813416 15.999 > 49 50 O 0.50007133630028 0.92690530027281 0.69483186813416 15.999 > 49 51 O 0.49992866369972 0.42690530027281 0.80516813186584 15.999 > 51 52 O 0.99992866369972 0.42690530027281 0.80516813186584 15.999 > 51 53 O 0.49992866369972 0.07309469972719 0.30516813186584 15.999 > 53 54 O 0.99992866369972 0.07309469972719 0.30516813186584 15.999 > 53 55 O 0.00007133630028 0.57309469972719 0.19483186813416 15.999 > 55 56 O 0.50007133630028 0.57309469972719 0.19483186813416 15.999 > 55 57 O 0.22736232273189 0.63998459596591 0.62695426704015 15.999 > 57 58 O 0.72736232273189 0.63998459596591 0.62695426704015 15.999 > 57 59 O 0.27263767726811 0.13998459596591 0.87304573295985 15.999 > 59 60 O 0.77263767726811 0.13998459596591 0.87304573295985 15.999 > 59 61 O 0.27263767726811 0.36001540403409 0.37304573295985 15.999 > 61 62 O 0.77263767726811 0.36001540403409 0.37304573295985 15.999 > 61 63 O 0.22736232273189 0.86001540403409 0.12695426704015 15.999 > 63 64 O 0.72736232273189 0.86001540403409 0.12695426704015 15.999 > 63 65 Al 0.21559418457425 0.42210998570341 0.22491599789202 26.982 > 65 66 Al 0.71559418457425 0.42210998570341 0.22491599789202 26.982 > 65 67 Al 0.28440581542575 0.92210998570341 0.27508400210798 26.982 > 67 68 Al 0.78440581542575 0.92210998570341 0.27508400210798 26.982 > 67 69 Al 0.28440581542575 0.57789001429659 0.77508400210798 26.982 > 69 70 Al 0.78440581542575 0.57789001429659 0.77508400210798 26.982 > 69 71 Al 0.21559418457425 0.07789001429659 0.72491599789202 26.982 > 71 72 Al 0.71559418457425 0.07789001429659 0.72491599789202 26.982 > 71 73 Al 0.03576714370679 0.69251668751947 0.06379088817824 26.982 > 73 74 Al 0.53576714370679 0.69251668751947 0.06379088817824 26.982 > 73 75 Al 0.46423285629321 0.19251668751947 0.43620911182176 26.982 > 75 76 Al 0.96423285629321 0.19251668751947 0.43620911182176 26.982 > 75 77 Al 0.46423285629321 0.30748331248053 0.93620911182176 26.982 > 77 78 Al 0.96423285629321 0.30748331248053 0.93620911182176 26.982 > 77 79 Al 0.03576714370679 0.80748331248053 0.56379088817824 26.982 > 79 80 Al 0.53576714370679 0.80748331248053 0.56379088817824 26.982 > 79 81 Si 0.03108199371358 0.41710625287919 0.23300959579901 28.085 > 81 82 Si 0.53108199371358 0.41710625287919 0.23300959579901 28.085 > 81 83 Si 0.46891800628642 0.91710625287919 0.26699040420099 28.085 > 83 84 Si 0.96891800628642 0.91710625287919 0.26699040420099 28.085 > 83 85 Si 0.46891800628642 0.58289374712081 0.76699040420099 28.085 > 85 86 Si 0.96891800628642 0.58289374712081 0.76699040420099 28.085 > 85 87 Si 0.03108199371358 0.08289374712081 0.73300959579901 28.085 > 87 88 Si 0.53108199371358 0.08289374712081 0.73300959579901 28.085 > 87 89 Si 0.22083774390669 0.69839614570409 0.06861633315057 28.085 > 89 90 Si 0.72083774390669 0.69839614570409 0.06861633315057 28.085 > 89 91 Si 0.27916225609331 0.19839614570409 0.43138366684943 28.085 > 91 92 Si 0.77916225609331 0.19839614570409 0.43138366684943 28.085 > 91 93 Si 0.27916225609331 0.30160385429591 0.93138366684943 28.085 > 93 94 Si 0.77916225609331 0.30160385429591 0.93138366684943 28.085 > 93 95 Si 0.22083774390669 0.80160385429591 0.56861633315057 28.085 > 95 96 Si 0.72083774390669 0.80160385429591 0.56861633315057 28.085 > 95 97 Ba 0.37547051303073 0.91140891742988 0.89777542903273 137.327 > 97 98 Ba 0.87547051303073 0.91140891742988 0.89777542903273 137.327 > 97 99 Ba 0.12452948696927 0.41140891742988 0.60222457096727 137.327 > 99 100 Ba 0.62452948696927 0.41140891742988 0.60222457096727 137.327 > 99 101 Ba 0.12452948696927 0.08859108257012 0.10222457096727 137.327 > 101 102 Ba 0.62452948696927 0.08859108257012 0.10222457096727 137.327 > 101 103 Ba 0.37547051303073 0.58859108257012 0.39777542903273 137.327 > 103 104 Ba 0.87547051303073 0.58859108257012 0.39777542903273 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6729469 0.0000000 -0.0037757 0.0000000 2.6806783 0.0000000 -0.0037755 0.0000000 2.6274277 -------------------------- Born effective charges -------------------------- 1 O -2.4582724 -0.0058550 -0.0884872 0.0249605 -1.1279792 0.0462277 -0.0935181 0.0132406 -1.6596770 2 O -2.4582724 0.0058550 -0.0884872 -0.0249605 -1.1279792 -0.0462277 -0.0935181 -0.0132406 -1.6596770 3 O -2.4582724 -0.0058550 -0.0884872 0.0249605 -1.1279792 0.0462277 -0.0935181 0.0132406 -1.6596770 4 O -2.4582724 0.0058550 -0.0884872 -0.0249605 -1.1279792 -0.0462277 -0.0935181 -0.0132406 -1.6596770 5 O -2.6642141 -0.0614037 -0.0806734 -0.0992691 -1.2143825 0.0150461 -0.0711722 0.0158235 -1.1952609 6 O -2.6642141 0.0614037 -0.0806734 0.0992691 -1.2143825 -0.0150461 -0.0711722 -0.0158235 -1.1952609 7 O -2.6642141 -0.0614037 -0.0806734 -0.0992691 -1.2143825 0.0150461 -0.0711722 0.0158235 -1.1952609 8 O -2.6642141 0.0614037 -0.0806734 0.0992691 -1.2143825 -0.0150461 -0.0711722 -0.0158235 -1.1952609 9 O -1.4277896 0.1258170 -0.3623640 0.1396937 -1.7116414 -0.4149841 -0.4239271 -0.4861110 -2.1281618 10 O -1.4277896 -0.1258170 -0.3623640 -0.1396937 -1.7116414 0.4149841 -0.4239271 0.4861110 -2.1281618 11 O -1.4277896 0.1258170 -0.3623640 0.1396937 -1.7116414 -0.4149841 -0.4239271 -0.4861110 -2.1281618 12 O -1.4277896 -0.1258170 -0.3623640 -0.1396937 -1.7116414 0.4149841 -0.4239271 0.4861110 -2.1281618 13 O -1.5573489 -0.1149800 0.5412240 -0.1426293 -1.6101948 -0.2611379 0.5970765 -0.3260264 -2.1164284 14 O -1.5573489 0.1149800 0.5412240 0.1426293 -1.6101948 0.2611379 0.5970765 0.3260264 -2.1164284 15 O -1.5573489 -0.1149800 0.5412240 -0.1426293 -1.6101948 -0.2611379 0.5970765 -0.3260264 -2.1164284 16 O -1.5573489 0.1149800 0.5412240 0.1426293 -1.6101948 0.2611379 0.5970765 0.3260264 -2.1164284 17 O -1.6112035 0.1180092 0.3712828 0.0288266 -1.9117240 -0.3466795 0.3398753 -0.3616263 -1.7095330 18 O -1.6112035 -0.1180092 0.3712828 -0.0288266 -1.9117240 0.3466795 0.3398753 0.3616263 -1.7095330 19 O -1.6112035 0.1180092 0.3712828 0.0288266 -1.9117240 -0.3466795 0.3398753 -0.3616263 -1.7095330 20 O -1.6112035 -0.1180092 0.3712828 -0.0288266 -1.9117240 0.3466795 0.3398753 0.3616263 -1.7095330 21 O -1.4194537 0.0368940 -0.3291628 0.0078467 -2.0976510 -0.5097582 -0.3617265 -0.4623238 -1.7186462 22 O -1.4194537 -0.0368940 -0.3291628 -0.0078467 -2.0976510 0.5097582 -0.3617265 0.4623238 -1.7186462 23 O -1.4194537 0.0368940 -0.3291628 0.0078467 -2.0976510 -0.5097582 -0.3617265 -0.4623238 -1.7186462 24 O -1.4194537 -0.0368940 -0.3291628 -0.0078467 -2.0976510 0.5097582 -0.3617265 0.4623238 -1.7186462 25 O -1.4171429 -0.1736488 0.2422324 -0.1511021 -2.2026390 -0.4159932 0.2420005 -0.3867378 -1.5516019 26 O -1.4171429 0.1736488 0.2422324 0.1511021 -2.2026390 0.4159932 0.2420005 0.3867378 -1.5516019 27 O -1.4171429 -0.1736488 0.2422324 -0.1511021 -2.2026390 -0.4159932 0.2420005 -0.3867378 -1.5516019 28 O -1.4171429 0.1736488 0.2422324 0.1511021 -2.2026390 0.4159932 0.2420005 0.3867378 -1.5516019 29 O -1.4908213 0.0697371 -0.2119186 0.0231413 -2.2058736 0.4059860 -0.1946399 0.4113989 -1.5672057 30 O -1.4908213 -0.0697371 -0.2119186 -0.0231413 -2.2058736 -0.4059860 -0.1946399 -0.4113989 -1.5672057 31 O -1.4908213 0.0697371 -0.2119186 0.0231413 -2.2058736 0.4059860 -0.1946399 0.4113989 -1.5672057 32 O -1.4908213 -0.0697371 -0.2119186 -0.0231413 -2.2058736 -0.4059860 -0.1946399 -0.4113989 -1.5672057 33 Al 2.5394931 -0.0030084 -0.0867750 0.0319980 2.6456230 -0.1303358 0.0082384 -0.0309381 2.5993964 34 Al 2.5394931 0.0030084 -0.0867750 -0.0319980 2.6456230 0.1303358 0.0082384 0.0309381 2.5993964 35 Al 2.5394931 -0.0030084 -0.0867750 0.0319980 2.6456230 -0.1303358 0.0082384 -0.0309381 2.5993964 36 Al 2.5394931 0.0030084 -0.0867750 -0.0319980 2.6456230 0.1303358 0.0082384 0.0309381 2.5993964 37 Al 2.6959771 -0.1691292 0.0411692 0.0650381 2.6994393 -0.0425248 0.2275443 0.0521400 2.6191247 38 Al 2.6959771 0.1691292 0.0411692 -0.0650381 2.6994393 0.0425248 0.2275443 -0.0521400 2.6191247 39 Al 2.6959771 -0.1691292 0.0411692 0.0650381 2.6994393 -0.0425248 0.2275443 0.0521400 2.6191247 40 Al 2.6959771 0.1691292 0.0411692 -0.0650381 2.6994393 0.0425248 0.2275443 -0.0521400 2.6191247 41 Si 2.9461178 -0.0080155 0.0095788 -0.0965254 2.9389633 -0.0432809 -0.0009235 0.0301184 2.9831131 42 Si 2.9461178 0.0080155 0.0095788 0.0965254 2.9389633 0.0432809 -0.0009235 -0.0301184 2.9831131 43 Si 2.9461178 -0.0080155 0.0095788 -0.0965254 2.9389633 -0.0432809 -0.0009235 0.0301184 2.9831131 44 Si 2.9461178 0.0080155 0.0095788 0.0965254 2.9389633 0.0432809 -0.0009235 -0.0301184 2.9831131 45 Si 3.0367217 0.1437454 -0.0517470 0.0187629 3.1112577 -0.0542810 -0.2529959 0.0311546 2.9891954 46 Si 3.0367217 -0.1437454 -0.0517470 -0.0187629 3.1112577 0.0542810 -0.2529959 -0.0311546 2.9891954 47 Si 3.0367217 0.1437454 -0.0517470 0.0187629 3.1112577 -0.0542810 -0.2529959 0.0311546 2.9891954 48 Si 3.0367217 -0.1437454 -0.0517470 -0.0187629 3.1112577 0.0542810 -0.2529959 -0.0311546 2.9891954 49 Ba 2.8279365 0.0499908 0.0056409 0.0562720 2.6868021 -0.1390167 -0.0158317 -0.1372925 2.4556852 50 Ba 2.8279365 -0.0499908 0.0056409 -0.0562720 2.6868021 0.1390167 -0.0158317 0.1372925 2.4556852 51 Ba 2.8279365 0.0499908 0.0056409 0.0562720 2.6868021 -0.1390167 -0.0158317 -0.1372925 2.4556852 52 Ba 2.8279365 -0.0499908 0.0056409 -0.0562720 2.6868021 0.1390167 -0.0158317 0.1372925 2.4556852 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 299, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.190 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 10.987 ( 0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.344 ( 0.000 0.000 0.000) 0.000 11.404 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.616 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.635 ( 0.000 0.000 0.000) 0.000 13.718 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 14.267 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 16.939 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.251 ( 0.000 0.000 0.000) 0.000 18.081 ( 0.000 0.000 0.000) 0.000 18.544 ( 0.000 0.000 0.000) 0.000 18.612 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 19.407 ( 0.000 0.000 0.000) 0.000 19.762 ( 0.000 0.000 0.000) 0.000 19.940 ( 0.000 0.000 0.000) 0.000 20.031 ( 0.000 0.000 0.000) 0.000 20.264 ( 0.000 0.000 0.000) 0.000 20.293 ( 0.000 0.000 0.000) 0.000 20.556 ( 0.000 0.000 0.000) 0.000 20.623 ( 0.000 0.000 0.000) 0.000 20.815 ( 0.000 0.000 0.000) 0.000 21.034 ( 0.000 0.000 0.000) 0.000 21.140 ( 0.000 0.000 0.000) 0.000 21.180 ( 0.000 0.000 0.000) 0.000 21.240 ( 0.000 0.000 0.000) 0.000 21.681 ( 0.000 0.000 0.000) 0.000 22.111 ( 0.000 0.000 0.000) 0.000 22.751 ( 0.000 0.000 0.000) 0.000 23.148 ( 0.000 0.000 0.000) 0.000 26.917 ( 0.000 0.000 0.000) 0.000 26.956 ( 0.000 0.000 0.000) 0.000 27.318 ( 0.000 0.000 0.000) 0.000 27.335 ( 0.000 0.000 0.000) 0.000 27.636 ( 0.000 0.000 0.000) 0.000 27.679 ( 0.000 0.000 0.000) 0.000 27.852 ( 0.000 0.000 0.000) 0.000 27.906 ( 0.000 0.000 0.000) 0.000 28.042 ( 0.000 0.000 0.000) 0.000 28.314 ( 0.000 0.000 0.000) 0.000 28.333 ( 0.000 0.000 0.000) 0.000 28.364 ( 0.000 0.000 0.000) 0.000 28.847 ( 0.000 0.000 0.000) 0.000 28.867 ( 0.000 0.000 0.000) 0.000 28.894 ( 0.000 0.000 0.000) 0.000 28.906 ( 0.000 0.000 0.000) 0.000 29.032 ( 0.000 0.000 0.000) 0.000 29.100 ( 0.000 0.000 0.000) 0.000 29.106 ( 0.000 0.000 0.000) 0.000 29.131 ( 0.000 0.000 0.000) 0.000 29.153 ( 0.000 0.000 0.000) 0.000 29.493 ( 0.000 0.000 0.000) 0.000 30.058 ( 0.000 0.000 0.000) 0.000 30.099 ( 0.000 0.000 0.000) 0.000 30.195 ( 0.000 0.000 0.000) 0.000 30.523 ( 0.000 0.000 0.000) 0.000 30.683 ( 0.000 0.000 0.000) 0.000 30.698 ( 0.000 0.000 0.000) 0.000 31.608 ( 0.000 0.000 0.000) 0.000 31.790 ( 0.000 0.000 0.000) 0.000 31.875 ( 0.000 0.000 0.000) 0.000 32.120 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 29.215 0.000 6.828) 30.003 0.697 ( 35.469 0.000 -3.350) 35.626 1.161 ( 56.978 0.000 -2.874) 57.050 1.859 ( -7.687 0.000 0.347) 7.695 1.942 ( 1.121 0.000 0.496) 1.225 2.140 ( 1.966 0.000 2.048) 2.839 2.184 ( -4.944 0.000 -1.274) 5.105 2.272 ( -1.907 0.000 0.834) 2.081 2.313 ( 6.095 0.000 0.131) 6.097 2.486 ( -5.047 0.000 -0.235) 5.053 2.585 ( -3.228 0.000 -2.068) 3.834 2.606 ( 3.805 0.000 -2.498) 4.551 2.732 ( -5.980 0.000 1.837) 6.256 3.033 ( -2.854 0.000 -1.877) 3.416 3.102 ( 4.534 0.000 -4.864) 6.649 3.144 ( -4.806 0.000 0.936) 4.896 3.260 ( -3.365 0.000 2.206) 4.024 3.540 ( -13.100 0.000 4.330) 13.797 3.597 ( -1.235 0.000 5.133) 5.279 3.691 ( -9.020 0.000 -2.538) 9.370 3.730 ( -2.536 0.000 -0.380) 2.565 3.739 ( -1.295 0.000 2.225) 2.575 3.951 ( -8.243 0.000 -1.808) 8.439 4.084 ( -1.271 0.000 1.715) 2.134 4.133 ( -11.290 0.000 -0.122) 11.290 4.260 ( -1.246 0.000 -3.294) 3.522 4.321 ( -1.200 0.000 -4.385) 4.546 4.657 ( -7.223 0.000 3.194) 7.898 4.735 ( 5.647 0.000 12.625) 13.830 4.750 ( 2.201 0.000 -5.813) 6.216 4.889 ( 10.562 0.000 5.086) 11.723 5.023 ( 10.976 0.000 -1.788) 11.121 5.127 ( 6.133 0.000 -1.270) 6.263 5.215 ( -0.549 0.000 -2.018) 2.091 5.340 ( 0.352 0.000 -2.291) 2.318 5.535 ( -14.741 0.000 -8.176) 16.856 5.604 ( -14.494 0.000 6.358) 15.827 5.890 ( -12.975 0.000 -3.187) 13.360 6.088 ( -3.747 0.000 3.131) 4.883 6.148 ( 0.033 0.000 -3.896) 3.896 6.479 ( -9.333 0.000 2.414) 9.640 6.513 ( 2.697 0.000 -7.585) 8.051 6.551 ( 0.227 0.000 5.047) 5.052 6.686 ( -2.134 0.000 5.626) 6.017 6.716 ( 6.523 0.000 -6.292) 9.063 6.880 ( 15.592 0.000 -4.311) 16.177 7.017 ( 2.268 0.000 -0.639) 2.356 7.218 ( 7.226 0.000 0.852) 7.276 7.353 ( -30.620 0.000 4.188) 30.905 7.449 ( 23.094 0.000 -1.669) 23.154 7.567 ( 13.916 0.000 0.608) 13.929 7.785 ( 2.172 0.000 -2.233) 3.115 7.924 ( -5.594 0.000 0.365) 5.606 8.192 ( -0.658 0.000 5.792) 5.830 8.452 ( 7.753 0.000 -6.196) 9.924 8.520 ( -7.257 0.000 3.216) 7.938 8.704 ( 5.397 0.000 7.908) 9.574 8.764 ( 14.917 0.000 2.737) 15.166 9.089 ( -5.238 0.000 -6.237) 8.145 9.114 ( -0.369 0.000 2.402) 2.430 9.308 ( 2.856 0.000 -9.565) 9.982 9.749 ( -2.974 0.000 0.079) 2.975 9.854 ( 14.797 0.000 -0.115) 14.797 9.949 ( -10.354 0.000 6.430) 12.188 10.109 ( -2.597 0.000 1.153) 2.842 10.257 ( 1.172 0.000 -5.592) 5.714 10.346 ( -2.137 0.000 -0.397) 2.173 10.466 ( -2.506 0.000 -0.903) 2.664 10.727 ( 15.374 0.000 4.641) 16.059 10.728 ( -0.176 0.000 -1.874) 1.882 10.921 ( 4.203 0.000 1.797) 4.571 10.955 ( -2.828 0.000 2.562) 3.816 11.175 ( -0.344 0.000 -1.328) 1.371 11.341 ( -0.354 0.000 -1.800) 1.834 11.375 ( -3.011 0.000 1.414) 3.326 11.495 ( 4.813 0.000 8.301) 9.595 11.536 ( 10.817 0.000 -2.534) 11.110 12.068 ( -9.169 0.000 0.143) 9.170 12.297 ( -1.068 0.000 1.990) 2.259 12.434 ( -10.419 0.000 -3.231) 10.909 12.597 ( -3.834 0.000 12.510) 13.085 12.713 ( -6.190 0.000 3.987) 7.363 13.026 ( -5.031 0.000 -12.325) 13.313 13.069 ( -11.180 0.000 0.695) 11.202 13.147 ( -1.392 0.000 -5.413) 5.589 13.349 ( 5.911 0.000 4.358) 7.344 13.358 ( 4.262 0.000 0.888) 4.353 13.575 ( 6.387 0.000 -4.633) 7.890 13.621 ( -1.469 0.000 -1.636) 2.199 13.842 ( 9.016 0.000 -2.091) 9.255 13.946 ( -3.096 0.000 -7.365) 7.989 14.304 ( 3.180 0.000 2.735) 4.194 14.661 ( -8.085 0.000 7.498) 11.027 14.758 ( -4.604 0.000 -3.028) 5.510 14.869 ( 0.202 0.000 -4.434) 4.438 15.426 ( -8.619 0.000 4.971) 9.950 16.101 ( -2.302 0.000 0.584) 2.375 16.644 ( -5.530 0.000 0.637) 5.567 16.684 ( 19.522 0.000 -8.551) 21.313 16.764 ( -0.648 0.000 4.083) 4.134 16.895 ( -10.795 0.000 -5.039) 11.913 17.058 ( 9.434 0.000 4.409) 10.414 17.570 ( 19.881 0.000 -9.376) 21.981 18.172 ( 8.469 0.000 9.120) 12.445 18.419 ( -9.062 0.000 2.234) 9.333 18.818 ( 12.145 0.000 -1.669) 12.259 18.894 ( 2.057 0.000 -1.698) 2.667 19.377 ( -3.160 0.000 1.047) 3.329 19.727 ( -3.914 0.000 0.485) 3.944 20.025 ( -0.923 0.000 -1.045) 1.394 20.086 ( -1.988 0.000 -0.101) 1.990 20.244 ( -1.812 0.000 -2.081) 2.760 20.276 ( -1.203 0.000 0.689) 1.386 20.571 ( 0.448 0.000 -3.050) 3.083 20.793 ( -6.595 0.000 1.916) 6.868 20.863 ( -5.776 0.000 0.853) 5.839 21.076 ( -5.863 0.000 0.165) 5.866 21.125 ( -3.415 0.000 0.594) 3.466 21.284 ( 4.356 0.000 -1.491) 4.604 21.650 ( 19.072 0.000 13.923) 23.614 21.733 ( 5.440 0.000 -0.848) 5.506 22.041 ( -6.870 0.000 0.117) 6.871 22.671 ( -7.999 0.000 1.676) 8.173 23.064 ( -8.631 0.000 0.989) 8.687 26.916 ( -0.135 0.000 -0.013) 0.135 26.956 ( 0.030 0.000 -0.146) 0.149 27.342 ( -0.989 0.000 7.006) 7.075 27.349 ( 3.075 0.000 -0.687) 3.151 27.662 ( 2.403 0.000 -0.135) 2.407 27.682 ( 0.245 0.000 -0.420) 0.486 27.840 ( -1.162 0.000 0.617) 1.315 27.906 ( -0.075 0.000 0.938) 0.941 28.193 ( 1.000 0.000 -15.104) 15.138 28.344 ( 1.066 0.000 0.462) 1.162 28.388 ( 2.488 0.000 -1.826) 3.086 28.494 ( -3.733 0.000 -13.018) 13.542 28.770 ( -9.544 0.000 -0.407) 9.552 28.831 ( -1.194 0.000 4.304) 4.467 28.870 ( -6.503 0.000 3.060) 7.187 28.920 ( 2.505 0.000 0.663) 2.592 28.952 ( -2.629 0.000 -3.522) 4.395 29.099 ( -1.179 0.000 -0.657) 1.349 29.145 ( 5.440 0.000 0.602) 5.473 29.235 ( 4.840 0.000 -0.717) 4.893 29.535 ( 3.674 0.000 3.426) 5.024 29.589 ( 0.957 0.000 -26.590) 26.607 30.120 ( 1.122 0.000 4.410) 4.550 30.221 ( 2.701 0.000 -0.914) 2.852 30.377 ( -3.996 0.000 9.755) 10.542 30.618 ( -3.551 0.000 -13.932) 14.378 30.729 ( 0.577 0.000 12.204) 12.217 30.891 ( -3.511 0.000 16.825) 17.187 31.609 ( 0.354 0.000 -2.107) 2.137 31.836 ( 4.020 0.000 0.439) 4.044 32.233 ( 10.694 0.000 -1.575) 10.810 33.108 ( -4.663 0.000 3.960) 6.118 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 20.931 0.000 5.758) 21.709 1.366 ( 32.965 0.000 -2.968) 33.098 1.646 ( -9.193 0.000 -0.180) 9.195 1.986 ( 3.438 0.000 1.977) 3.966 2.104 ( -2.513 0.000 -1.006) 2.707 2.111 ( 25.461 0.000 -2.498) 25.583 2.232 ( 5.420 0.000 0.815) 5.481 2.243 ( 0.382 0.000 0.036) 0.384 2.378 ( -17.114 0.000 -1.516) 17.181 2.387 ( -3.112 0.000 -1.039) 3.281 2.526 ( 24.295 0.000 1.525) 24.343 2.598 ( -4.950 0.000 -0.625) 4.989 2.646 ( -4.455 0.000 1.026) 4.572 2.971 ( -13.833 0.000 4.538) 14.558 3.090 ( 9.032 0.000 -9.261) 12.936 3.129 ( -2.398 0.000 6.606) 7.028 3.168 ( -18.540 0.000 0.803) 18.557 3.184 ( -1.304 0.000 -3.112) 3.374 3.564 ( -3.546 0.000 0.442) 3.574 3.566 ( -3.446 0.000 -0.020) 3.446 3.689 ( -4.628 0.000 -3.079) 5.558 3.754 ( 1.230 0.000 3.344) 3.564 3.869 ( 3.210 0.000 -0.956) 3.349 4.006 ( -1.499 0.000 -1.596) 2.189 4.027 ( -2.683 0.000 4.465) 5.209 4.233 ( -0.114 0.000 -6.793) 6.794 4.294 ( -2.300 0.000 -0.318) 2.322 4.457 ( -11.069 0.000 2.243) 11.294 4.620 ( -11.836 0.000 3.412) 12.318 4.923 ( -22.284 0.000 1.663) 22.346 4.944 ( 7.798 0.000 0.642) 7.825 5.178 ( 3.897 0.000 3.412) 5.180 5.183 ( 15.877 0.000 6.990) 17.347 5.308 ( -4.753 0.000 -5.097) 6.970 5.362 ( -0.314 0.000 0.424) 0.528 5.376 ( 12.627 0.000 -6.513) 14.208 5.431 ( 1.111 0.000 -2.968) 3.169 5.678 ( -5.446 0.000 0.553) 5.474 5.930 ( -12.008 0.000 2.510) 12.267 6.158 ( -1.791 0.000 -1.625) 2.419 6.206 ( -16.618 0.000 -6.857) 17.977 6.512 ( -1.216 0.000 2.021) 2.358 6.598 ( -0.271 0.000 -1.185) 1.216 6.638 ( -0.911 0.000 6.453) 6.517 6.794 ( 2.951 0.000 -2.528) 3.886 6.871 ( -12.157 0.000 -3.076) 12.541 7.044 ( 0.331 0.000 4.253) 4.265 7.265 ( 6.842 0.000 0.078) 6.842 7.405 ( 18.104 0.000 -5.635) 18.960 7.751 ( 8.684 0.000 -0.439) 8.695 7.783 ( -1.239 0.000 0.832) 1.493 7.904 ( 11.193 0.000 1.600) 11.307 7.924 ( 10.573 0.000 -0.388) 10.580 8.142 ( -3.993 0.000 4.277) 5.851 8.346 ( -8.467 0.000 1.249) 8.558 8.710 ( 15.665 0.000 -5.952) 16.758 8.837 ( 7.326 0.000 8.259) 11.040 8.915 ( -3.600 0.000 -2.260) 4.251 8.961 ( -2.161 0.000 0.586) 2.239 9.105 ( -1.074 0.000 3.944) 4.087 9.337 ( 0.799 0.000 -14.755) 14.777 9.710 ( -7.775 0.000 3.340) 8.462 9.737 ( -1.117 0.000 3.480) 3.655 10.053 ( -5.288 0.000 7.344) 9.050 10.149 ( 11.188 0.000 1.675) 11.312 10.235 ( -4.024 0.000 -7.101) 8.162 10.317 ( 0.821 0.000 -4.866) 4.935 10.484 ( 2.543 0.000 1.416) 2.911 10.769 ( 6.608 0.000 -0.495) 6.627 10.894 ( -1.416 0.000 4.193) 4.426 10.925 ( -1.953 0.000 2.753) 3.376 11.029 ( 12.766 0.000 3.587) 13.260 11.235 ( -3.590 0.000 -6.718) 7.617 11.318 ( 3.542 0.000 3.262) 4.815 11.332 ( -0.402 0.000 -1.957) 1.998 11.587 ( 4.143 0.000 3.140) 5.198 11.685 ( 2.843 0.000 -2.606) 3.857 11.906 ( -5.706 0.000 -0.731) 5.753 12.288 ( -4.286 0.000 -1.798) 4.648 12.310 ( 3.343 0.000 0.681) 3.412 12.509 ( -4.836 0.000 7.270) 8.732 12.519 ( -9.890 0.000 -2.132) 10.117 12.803 ( -14.896 0.000 3.489) 15.299 12.918 ( -5.197 0.000 -7.758) 9.338 13.138 ( -0.017 0.000 -1.569) 1.569 13.420 ( 1.893 0.000 2.234) 2.928 13.444 ( 3.606 0.000 6.400) 7.345 13.581 ( -2.335 0.000 -1.190) 2.621 13.779 ( 12.664 0.000 -4.233) 13.353 13.870 ( -3.835 0.000 -4.085) 5.603 13.985 ( 4.869 0.000 -2.593) 5.516 14.320 ( -3.767 0.000 2.150) 4.337 14.528 ( -4.816 0.000 3.669) 6.054 14.738 ( 5.229 0.000 -2.914) 5.986 14.857 ( -0.890 0.000 -2.823) 2.960 15.217 ( -12.215 0.000 4.948) 13.179 16.146 ( 5.854 0.000 0.622) 5.887 16.529 ( -4.806 0.000 3.088) 5.712 16.597 ( -9.061 0.000 0.062) 9.061 16.708 ( -7.657 0.000 -3.517) 8.427 17.187 ( 23.203 0.000 -3.182) 23.420 17.283 ( 10.681 0.000 -1.812) 10.833 17.930 ( 15.321 0.000 -7.714) 17.153 18.232 ( -10.295 0.000 2.865) 10.686 18.360 ( 9.201 0.000 11.571) 14.783 18.931 ( 1.401 0.000 -2.530) 2.892 19.064 ( 12.560 0.000 0.005) 12.560 19.290 ( -5.178 0.000 0.842) 5.246 19.604 ( -8.440 0.000 -0.044) 8.440 19.983 ( -3.087 0.000 -0.435) 3.118 20.049 ( -1.452 0.000 1.534) 2.112 20.225 ( 0.520 0.000 -2.756) 2.804 20.272 ( 0.936 0.000 -0.153) 0.949 20.460 ( -10.383 0.000 -4.210) 11.204 20.716 ( 1.651 0.000 3.434) 3.810 20.862 ( 1.852 0.000 -0.384) 1.892 20.945 ( -6.514 0.000 0.244) 6.518 21.042 ( -4.963 0.000 0.299) 4.972 21.409 ( 8.529 0.000 -1.737) 8.704 21.835 ( -6.633 0.000 -0.395) 6.645 21.917 ( 6.079 0.000 -0.910) 6.147 22.028 ( 18.968 0.000 6.845) 20.165 22.460 ( -12.878 0.000 2.584) 13.134 22.834 ( -14.128 0.000 -1.400) 14.197 26.913 ( -0.127 0.000 -0.013) 0.128 26.957 ( 0.030 0.000 -0.143) 0.146 27.323 ( -0.806 0.000 2.656) 2.776 27.423 ( 3.955 0.000 -0.877) 4.051 27.687 ( 0.273 0.000 -0.439) 0.517 27.716 ( 2.862 0.000 -0.312) 2.879 27.810 ( -1.904 0.000 0.806) 2.067 27.901 ( -0.485 0.000 1.146) 1.245 28.217 ( 1.369 0.000 -6.273) 6.421 28.374 ( 1.944 0.000 0.629) 2.043 28.416 ( -3.161 0.000 -4.686) 5.653 28.457 ( 3.666 0.000 -0.158) 3.670 28.581 ( -8.616 0.000 -0.821) 8.655 28.722 ( -6.515 0.000 1.438) 6.672 28.797 ( -2.325 0.000 3.143) 3.909 28.947 ( 0.379 0.000 -1.217) 1.274 28.971 ( 2.592 0.000 -1.313) 2.906 29.060 ( -2.385 0.000 0.253) 2.398 29.229 ( 2.819 0.000 0.262) 2.831 29.315 ( 3.439 0.000 -0.700) 3.510 29.568 ( 0.129 0.000 -0.681) 0.693 29.659 ( 4.820 0.000 -7.925) 9.276 30.129 ( -0.004 0.000 3.181) 3.181 30.266 ( 0.935 0.000 0.155) 0.948 30.300 ( -3.231 0.000 3.630) 4.859 30.579 ( 0.076 0.000 -10.090) 10.090 30.720 ( -1.286 0.000 8.150) 8.250 30.818 ( -3.506 0.000 6.559) 7.437 31.623 ( 0.911 0.000 -1.392) 1.664 31.914 ( 3.274 0.000 -0.018) 3.274 32.484 ( 13.953 0.000 -2.293) 14.140 32.976 ( -8.850 0.000 2.818) 9.288 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 0.000 0.000) 0.000 1.429 ( -0.000 0.000 -0.000) 0.000 1.901 ( -0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 -0.000) 0.000 2.067 ( -0.000 0.000 -0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 -0.000) 0.000 2.336 ( 0.000 0.000 -0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 -0.000) 0.000 2.467 ( 0.000 0.000 -0.000) 0.000 2.803 ( 0.000 0.000 -0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 -0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.198 ( -0.000 0.000 -0.000) 0.000 3.495 ( 0.000 0.000 -0.000) 0.000 3.536 ( 0.000 0.000 -0.000) 0.000 3.626 ( -0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 -0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 -0.000) 0.000 4.269 ( 0.000 0.000 -0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.454 ( -0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 -0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 -0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 -0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 -0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 -0.000) 0.000 6.509 ( 0.000 0.000 -0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 -0.000) 0.000 6.826 ( 0.000 0.000 -0.000) 0.000 7.054 ( 0.000 0.000 -0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 -0.000) 0.000 7.751 ( 0.000 0.000 -0.000) 0.000 7.906 ( 0.000 0.000 -0.000) 0.000 7.970 ( -0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 -0.000) 0.000 8.122 ( 0.000 0.000 -0.000) 0.000 8.268 ( 0.000 0.000 -0.000) 0.000 8.814 ( 0.000 0.000 -0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 -0.000) 0.000 8.965 ( 0.000 0.000 -0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 -0.000) 0.000 9.857 ( 0.000 0.000 -0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 -0.000) 0.000 10.224 ( 0.000 0.000 -0.000) 0.000 10.383 ( 0.000 0.000 -0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 0.000 0.000) 0.000 10.901 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 -0.000) 0.000 11.069 ( -0.000 0.000 -0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.643 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.860 ( 0.000 0.000 -0.000) 0.000 12.231 ( 0.000 0.000 -0.000) 0.000 12.403 ( -0.000 0.000 0.000) 0.000 12.418 ( 0.000 0.000 -0.000) 0.000 12.466 ( 0.000 0.000 -0.000) 0.000 12.590 ( -0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 -0.000) 0.000 13.553 ( 0.000 0.000 -0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 14.023 ( 0.000 0.000 -0.000) 0.000 14.229 ( 0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 -0.000) 0.000 14.847 ( 0.000 0.000 -0.000) 0.000 14.888 ( 0.000 0.000 -0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 16.246 ( 0.000 0.000 -0.000) 0.000 16.467 ( 0.000 0.000 -0.000) 0.000 16.483 ( 0.000 0.000 0.000) 0.000 16.626 ( 0.000 0.000 0.000) 0.000 17.397 ( 0.000 0.000 -0.000) 0.000 17.465 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 18.091 ( 0.000 0.000 0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 18.944 ( 0.000 0.000 -0.000) 0.000 19.226 ( 0.000 0.000 0.000) 0.000 19.236 ( 0.000 0.000 0.000) 0.000 19.470 ( 0.000 0.000 0.000) 0.000 19.943 ( 0.000 0.000 0.000) 0.000 20.034 ( 0.000 0.000 -0.000) 0.000 20.269 ( 0.000 0.000 -0.000) 0.000 20.289 ( 0.000 0.000 0.000) 0.000 20.309 ( -0.000 0.000 0.000) 0.000 20.743 ( 0.000 0.000 -0.000) 0.000 20.872 ( 0.000 0.000 -0.000) 0.000 20.907 ( 0.000 0.000 0.000) 0.000 20.963 ( 0.000 0.000 0.000) 0.000 21.581 ( 0.000 0.000 0.000) 0.000 21.647 ( 0.000 0.000 -0.000) 0.000 22.090 ( 0.000 0.000 -0.000) 0.000 22.252 ( 0.000 0.000 -0.000) 0.000 22.291 ( -0.000 0.000 -0.000) 0.000 22.618 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 26.957 ( 0.000 0.000 0.000) 0.000 27.315 ( 0.000 0.000 -0.000) 0.000 27.469 ( 0.000 0.000 0.000) 0.000 27.690 ( 0.000 0.000 -0.000) 0.000 27.766 ( 0.000 0.000 -0.000) 0.000 27.770 ( -0.000 0.000 0.000) 0.000 27.893 ( 0.000 0.000 -0.000) 0.000 28.234 ( 0.000 0.000 0.000) 0.000 28.379 ( 0.000 0.000 -0.000) 0.000 28.405 ( 0.000 0.000 0.000) 0.000 28.482 ( 0.000 0.000 -0.000) 0.000 28.506 ( 0.000 0.000 0.000) 0.000 28.653 ( 0.000 0.000 -0.000) 0.000 28.765 ( 0.000 0.000 -0.000) 0.000 28.951 ( 0.000 0.000 -0.000) 0.000 29.011 ( 0.000 0.000 0.000) 0.000 29.022 ( 0.000 0.000 -0.000) 0.000 29.255 ( 0.000 0.000 -0.000) 0.000 29.352 ( 0.000 0.000 0.000) 0.000 29.568 ( 0.000 0.000 0.000) 0.000 29.711 ( 0.000 0.000 -0.000) 0.000 30.128 ( 0.000 0.000 -0.000) 0.000 30.267 ( 0.000 0.000 0.000) 0.000 30.268 ( 0.000 0.000 -0.000) 0.000 30.593 ( 0.000 0.000 0.000) 0.000 30.700 ( 0.000 0.000 -0.000) 0.000 30.780 ( 0.000 0.000 0.000) 0.000 31.633 ( 0.000 0.000 0.000) 0.000 31.947 ( 0.000 0.000 -0.000) 0.000 32.705 ( 0.000 0.000 -0.000) 0.000 32.808 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.000 35.107 0.000) 35.107 0.780 ( 0.000 36.190 0.000) 36.190 1.301 ( 0.000 57.026 0.000) 57.026 1.923 ( 0.000 -0.742 0.000) 0.742 1.960 ( 0.000 0.933 0.000) 0.933 2.206 ( 0.000 15.048 0.000) 15.048 2.212 ( 0.000 -0.790 0.000) 0.790 2.286 ( 0.000 4.105 0.000) 4.105 2.326 ( 0.000 3.967 0.000) 3.967 2.459 ( 0.000 -11.289 0.000) 11.289 2.540 ( 0.000 -2.664 0.000) 2.664 2.563 ( 0.000 1.660 0.000) 1.660 2.764 ( 0.000 -3.349 0.000) 3.349 2.960 ( 0.000 -6.759 0.000) 6.759 3.073 ( 0.000 -0.212 0.000) 0.212 3.091 ( 0.000 -13.209 0.000) 13.209 3.321 ( 0.000 -2.023 0.000) 2.023 3.476 ( 0.000 -1.000 0.000) 1.000 3.574 ( 0.000 -6.405 0.000) 6.405 3.741 ( 0.000 -0.071 0.000) 0.071 3.775 ( 0.000 -1.677 0.000) 1.677 3.898 ( 0.000 -1.812 0.000) 1.812 3.952 ( 0.000 -1.552 0.000) 1.552 4.045 ( 0.000 9.242 0.000) 9.242 4.187 ( 0.000 -4.872 0.000) 4.872 4.361 ( 0.000 4.981 0.000) 4.981 4.434 ( 0.000 -3.780 0.000) 3.780 4.510 ( 0.000 2.315 0.000) 2.315 4.726 ( 0.000 2.421 0.000) 2.421 4.756 ( 0.000 -4.719 0.000) 4.719 4.967 ( 0.000 14.686 0.000) 14.686 5.080 ( 0.000 -7.767 0.000) 7.767 5.130 ( 0.000 13.081 0.000) 13.081 5.233 ( 0.000 16.443 0.000) 16.443 5.334 ( 0.000 -5.853 0.000) 5.853 5.641 ( 0.000 -2.966 0.000) 2.966 5.759 ( 0.000 -4.825 0.000) 4.825 6.005 ( 0.000 -6.577 0.000) 6.577 6.100 ( 0.000 1.918 0.000) 1.918 6.273 ( 0.000 -11.576 0.000) 11.576 6.279 ( 0.000 7.665 0.000) 7.665 6.416 ( 0.000 -8.416 0.000) 8.416 6.459 ( 0.000 -1.509 0.000) 1.509 6.485 ( 0.000 -11.162 0.000) 11.162 6.683 ( 0.000 -22.840 0.000) 22.840 6.806 ( 0.000 -6.130 0.000) 6.130 6.864 ( 0.000 8.320 0.000) 8.320 7.097 ( 0.000 4.097 0.000) 4.097 7.252 ( 0.000 7.436 0.000) 7.436 7.626 ( 0.000 5.753 0.000) 5.753 7.774 ( 0.000 -1.063 0.000) 1.063 7.978 ( 0.000 -4.371 0.000) 4.371 8.146 ( 0.000 20.601 0.000) 20.601 8.268 ( 0.000 6.832 0.000) 6.832 8.394 ( 0.000 -1.309 0.000) 1.309 8.432 ( 0.000 -1.418 0.000) 1.418 8.683 ( 0.000 6.134 0.000) 6.134 8.705 ( 0.000 6.669 0.000) 6.669 9.069 ( 0.000 -2.339 0.000) 2.339 9.176 ( 0.000 1.950 0.000) 1.950 9.381 ( 0.000 9.023 0.000) 9.023 9.727 ( 0.000 2.463 0.000) 2.463 9.773 ( 0.000 -2.810 0.000) 2.810 9.952 ( 0.000 -10.467 0.000) 10.467 10.166 ( 0.000 -4.169 0.000) 4.169 10.267 ( 0.000 -2.358 0.000) 2.358 10.299 ( 0.000 -8.103 0.000) 8.103 10.451 ( 0.000 -4.531 0.000) 4.531 10.500 ( 0.000 2.509 0.000) 2.509 10.738 ( 0.000 0.554 0.000) 0.554 10.906 ( 0.000 5.205 0.000) 5.205 10.967 ( 0.000 -1.125 0.000) 1.125 11.247 ( 0.000 7.002 0.000) 7.002 11.306 ( 0.000 0.158 0.000) 0.158 11.364 ( 0.000 -1.986 0.000) 1.986 11.390 ( 0.000 -0.986 0.000) 0.986 11.872 ( 0.000 6.017 0.000) 6.017 12.113 ( 0.000 2.437 0.000) 2.437 12.307 ( 0.000 0.684 0.000) 0.684 12.386 ( 0.000 -6.276 0.000) 6.276 12.574 ( 0.000 -4.655 0.000) 4.655 12.677 ( 0.000 -8.439 0.000) 8.439 12.683 ( 0.000 -0.594 0.000) 0.594 12.983 ( 0.000 -8.494 0.000) 8.494 13.139 ( 0.000 -3.586 0.000) 3.586 13.182 ( 0.000 -9.103 0.000) 9.103 13.334 ( 0.000 5.837 0.000) 5.837 13.558 ( 0.000 1.720 0.000) 1.720 13.608 ( 0.000 -1.793 0.000) 1.793 13.864 ( 0.000 -7.006 0.000) 7.006 14.132 ( 0.000 -0.094 0.000) 0.094 14.148 ( 0.000 -5.705 0.000) 5.705 14.739 ( 0.000 -0.835 0.000) 0.835 14.822 ( 0.000 -2.175 0.000) 2.175 15.161 ( 0.000 26.374 0.000) 26.374 15.558 ( 0.000 3.373 0.000) 3.373 16.126 ( 0.000 -14.606 0.000) 14.606 16.234 ( 0.000 1.206 0.000) 1.206 16.465 ( 0.000 -8.578 0.000) 8.578 16.969 ( 0.000 -18.145 0.000) 18.145 17.117 ( 0.000 20.132 0.000) 20.132 17.266 ( 0.000 -1.930 0.000) 1.930 17.459 ( 0.000 23.868 0.000) 23.868 17.920 ( 0.000 -9.318 0.000) 9.318 18.535 ( 0.000 -8.703 0.000) 8.703 18.776 ( 0.000 16.625 0.000) 16.625 18.878 ( 0.000 -7.374 0.000) 7.374 19.334 ( 0.000 -9.583 0.000) 9.583 19.945 ( 0.000 -0.641 0.000) 0.641 20.033 ( 0.000 7.013 0.000) 7.013 20.090 ( 0.000 6.458 0.000) 6.458 20.226 ( 0.000 0.223 0.000) 0.223 20.290 ( 0.000 2.709 0.000) 2.709 20.612 ( 0.000 -1.103 0.000) 1.103 20.621 ( 0.000 2.602 0.000) 2.602 20.682 ( 0.000 -10.296 0.000) 10.296 20.995 ( 0.000 2.801 0.000) 2.801 21.136 ( 0.000 2.217 0.000) 2.217 21.236 ( 0.000 -0.586 0.000) 0.586 21.566 ( 0.000 22.877 0.000) 22.877 21.624 ( 0.000 -5.396 0.000) 5.396 22.472 ( 0.000 2.332 0.000) 2.332 22.660 ( 0.000 -8.443 0.000) 8.443 23.053 ( 0.000 -8.833 0.000) 8.833 26.973 ( 0.000 1.804 0.000) 1.804 27.256 ( 0.000 -4.601 0.000) 4.601 27.352 ( 0.000 0.659 0.000) 0.659 27.356 ( 0.000 0.915 0.000) 0.915 27.671 ( 0.000 3.038 0.000) 3.038 27.880 ( 0.000 -2.221 0.000) 2.221 27.891 ( 0.000 3.155 0.000) 3.155 28.030 ( 0.000 -1.138 0.000) 1.138 28.170 ( 0.000 3.556 0.000) 3.556 28.331 ( 0.000 1.137 0.000) 1.137 28.405 ( 0.000 3.839 0.000) 3.839 28.788 ( 0.000 -5.469 0.000) 5.469 28.844 ( 0.000 0.227 0.000) 0.227 28.903 ( 0.000 2.095 0.000) 2.095 28.937 ( 0.000 1.002 0.000) 1.002 29.026 ( 0.000 -1.358 0.000) 1.358 29.067 ( 0.000 0.420 0.000) 0.420 29.097 ( 0.000 -1.348 0.000) 1.348 29.115 ( 0.000 0.285 0.000) 0.285 29.162 ( 0.000 -0.220 0.000) 0.220 29.473 ( 0.000 3.705 0.000) 3.705 29.552 ( 0.000 6.316 0.000) 6.316 29.916 ( 0.000 -8.791 0.000) 8.791 30.155 ( 0.000 -0.649 0.000) 0.649 30.380 ( 0.000 -7.247 0.000) 7.247 30.427 ( 0.000 -1.694 0.000) 1.694 30.852 ( 0.000 9.923 0.000) 9.923 31.363 ( 0.000 -3.813 0.000) 3.813 31.782 ( 0.000 -0.587 0.000) 0.587 31.826 ( 0.000 -2.015 0.000) 2.015 31.895 ( 0.000 1.903 0.000) 1.903 32.094 ( 0.000 -2.370 0.000) 2.370 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 16.221 26.165 4.614) 31.129 1.025 ( 21.933 24.658 -0.763) 33.010 1.711 ( 35.444 39.618 -1.764) 53.188 1.912 ( -3.028 1.599 -0.705) 3.496 1.930 ( 0.327 -0.390 1.918) 1.984 2.121 ( -5.391 4.634 -0.966) 7.175 2.244 ( -3.121 1.094 1.279) 3.546 2.334 ( 3.623 6.702 -2.134) 7.912 2.346 ( 5.469 6.301 1.537) 8.483 2.457 ( -2.861 -7.099 -2.221) 7.969 2.500 ( -1.101 -4.498 -0.538) 4.662 2.572 ( -1.454 -0.581 0.259) 1.587 2.725 ( -2.111 -1.315 1.371) 2.840 3.002 ( 2.073 -7.402 -0.134) 7.688 3.035 ( -0.659 -2.366 -0.200) 2.464 3.114 ( -0.698 -7.330 -4.672) 8.721 3.268 ( -4.345 3.656 -0.783) 5.733 3.511 ( 1.168 -5.215 5.387) 7.588 3.605 ( -1.057 -0.642 -0.380) 1.294 3.650 ( -4.831 -0.241 5.411) 7.258 3.751 ( -10.167 3.813 -2.955) 11.253 3.835 ( 0.361 2.756 0.480) 2.820 3.914 ( -1.523 -3.995 3.197) 5.338 3.999 ( -6.614 4.367 -2.629) 8.351 4.148 ( -10.318 -0.435 -1.437) 10.426 4.236 ( 2.685 -2.697 -3.469) 5.150 4.393 ( -4.416 0.322 0.775) 4.495 4.528 ( -0.096 -1.269 1.097) 1.680 4.730 ( -2.164 -6.187 1.409) 6.704 4.818 ( 5.828 0.366 2.235) 6.253 4.919 ( -5.674 10.489 0.068) 11.926 5.064 ( -4.059 -7.276 2.887) 8.817 5.116 ( 3.962 6.861 1.911) 8.150 5.303 ( 1.787 0.498 -6.186) 6.458 5.317 ( 3.889 6.143 -0.655) 7.300 5.482 ( -13.299 -3.289 -5.287) 14.684 5.676 ( -4.809 6.417 6.653) 10.420 5.921 ( -10.187 -0.725 -4.318) 11.088 6.055 ( -7.396 -2.462 2.855) 8.302 6.225 ( -2.790 7.176 -1.040) 7.769 6.262 ( 1.404 -16.029 -0.171) 16.092 6.415 ( 2.415 -7.185 -2.020) 7.845 6.513 ( -2.037 2.153 -2.337) 3.774 6.578 ( 4.591 -11.930 1.999) 12.938 6.730 ( -3.459 -7.810 5.129) 9.963 6.878 ( 9.250 -10.749 2.309) 14.368 6.913 ( 17.425 5.766 -7.332) 19.765 7.096 ( 0.834 -1.613 -11.617) 11.758 7.289 ( -25.756 -3.846 2.673) 26.179 7.500 ( 15.470 2.597 5.329) 16.567 7.759 ( 8.888 3.549 -1.927) 9.763 7.934 ( -7.355 7.766 2.881) 11.077 8.159 ( 1.075 18.932 1.923) 19.059 8.295 ( 1.678 10.078 6.695) 12.215 8.386 ( -0.866 -2.310 -3.575) 4.343 8.565 ( -1.135 2.588 -4.564) 5.368 8.681 ( 12.860 -1.759 2.468) 13.213 8.815 ( 6.893 7.461 6.292) 11.949 9.020 ( -4.831 -1.591 -3.856) 6.382 9.179 ( -0.170 3.366 5.407) 6.372 9.415 ( 2.290 6.723 -6.332) 9.515 9.694 ( -1.603 -3.657 -2.512) 4.717 9.877 ( 1.471 -3.571 -0.804) 3.945 9.889 ( 0.318 -3.103 5.780) 6.568 10.088 ( -1.590 -1.631 -3.174) 3.907 10.246 ( -0.557 -9.620 -0.635) 9.657 10.346 ( 0.923 -0.582 -3.158) 3.341 10.460 ( -1.945 5.015 0.430) 5.396 10.581 ( 7.607 -7.421 4.557) 11.563 10.774 ( 4.647 0.669 -0.791) 4.761 10.893 ( -1.198 -0.095 2.508) 2.781 10.992 ( 2.605 3.013 -0.647) 4.035 11.272 ( -0.689 6.787 0.625) 6.851 11.338 ( 3.556 -0.133 0.265) 3.569 11.403 ( 0.812 3.183 0.292) 3.298 11.431 ( 5.542 -5.644 -1.137) 7.991 11.724 ( -1.345 12.349 3.245) 12.839 12.074 ( -8.513 1.377 1.310) 8.723 12.290 ( -1.169 -1.285 -2.012) 2.658 12.348 ( -8.729 -6.699 -2.951) 11.392 12.547 ( -3.504 -4.125 12.303) 13.441 12.658 ( -2.374 -5.239 0.767) 5.803 12.841 ( 9.294 -11.061 -15.871) 21.462 12.925 ( -6.052 -7.846 -1.892) 10.087 13.106 ( -0.176 -5.135 2.155) 5.572 13.234 ( 1.797 -7.477 0.921) 7.745 13.332 ( 2.072 3.743 1.227) 4.451 13.594 ( -0.533 -1.319 -0.055) 1.424 13.626 ( 4.217 0.068 -0.792) 4.291 13.862 ( 0.265 -5.091 0.622) 5.136 14.026 ( -5.245 4.551 -3.513) 7.782 14.151 ( 0.051 -7.937 1.495) 8.077 14.692 ( -3.399 0.106 0.900) 3.517 14.780 ( -3.041 -1.919 -1.675) 3.967 15.054 ( -9.360 20.137 -2.793) 22.381 15.443 ( -10.273 1.771 4.281) 11.269 15.955 ( -3.670 -10.380 0.588) 11.025 16.361 ( -7.123 -12.040 0.538) 14.000 16.650 ( 24.933 0.442 -0.890) 24.952 17.049 ( 2.648 5.853 -14.208) 15.593 17.114 ( -0.411 13.905 2.712) 14.173 17.184 ( 1.820 7.211 15.623) 17.303 17.685 ( 16.690 11.201 -10.945) 22.887 18.012 ( 6.745 -9.595 3.561) 12.257 18.541 ( 0.087 1.786 -4.235) 4.597 18.661 ( -5.692 -3.793 9.632) 11.813 19.046 ( 10.754 0.915 -2.985) 11.198 19.246 ( -4.598 -2.937 1.990) 5.807 19.868 ( -7.016 1.234 1.200) 7.224 20.052 ( 3.300 7.707 0.999) 8.443 20.151 ( -1.430 4.797 -3.327) 6.010 20.194 ( -2.249 -2.980 1.490) 4.020 20.289 ( 0.155 3.789 -2.807) 4.719 20.607 ( -2.016 -1.606 -4.354) 5.060 20.635 ( -2.974 -8.532 1.289) 9.127 20.802 ( 2.831 -6.776 4.025) 8.374 21.001 ( 0.764 3.191 0.973) 3.422 21.203 ( 11.409 -5.247 1.611) 12.661 21.283 ( 4.996 -0.021 0.136) 4.998 21.516 ( -1.704 15.314 1.553) 15.487 21.690 ( 6.118 -2.155 -1.096) 6.579 22.289 ( -13.305 7.665 0.663) 15.369 22.578 ( -8.273 -8.540 1.539) 11.989 22.966 ( -8.716 -9.077 -0.077) 12.585 26.973 ( -0.088 2.012 -0.043) 2.014 27.212 ( -8.754 9.610 -0.108) 13.000 27.282 ( 0.983 -4.068 1.035) 4.311 27.360 ( 0.019 0.198 3.137) 3.144 27.683 ( 1.028 2.597 0.314) 2.810 27.855 ( -4.196 3.475 3.439) 6.443 27.862 ( -2.773 4.285 2.999) 5.920 27.920 ( -0.925 4.471 0.550) 4.598 28.188 ( 1.001 0.271 -13.685) 13.725 28.343 ( 0.795 0.167 -1.311) 1.542 28.430 ( 2.463 3.842 -1.173) 4.712 28.626 ( -13.047 7.776 -4.718) 15.905 28.767 ( -5.457 -1.594 1.343) 5.841 28.830 ( -6.712 -0.453 1.084) 6.814 28.858 ( -2.371 0.046 1.706) 2.921 28.880 ( -4.043 -1.786 -1.687) 4.731 28.995 ( -0.222 2.712 0.718) 2.814 29.137 ( -0.362 2.783 -1.187) 3.047 29.157 ( 5.005 1.018 -0.063) 5.108 29.214 ( 4.176 -1.778 -1.596) 4.811 29.560 ( 1.882 2.668 3.194) 4.567 29.582 ( 3.787 0.733 -16.349) 16.798 30.040 ( 5.477 -6.308 5.963) 10.264 30.208 ( 3.153 -2.564 2.147) 4.596 30.359 ( -1.627 -4.235 1.244) 4.705 30.449 ( 1.575 -6.035 -8.529) 10.567 30.808 ( -4.342 6.781 9.892) 12.754 31.036 ( -14.503 5.833 7.431) 17.308 31.632 ( -0.438 2.153 -1.838) 2.864 31.813 ( 3.028 -2.157 0.137) 3.720 32.221 ( 11.512 -0.929 -1.349) 11.628 32.643 ( 23.022 -24.415 1.780) 33.605 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 15.398 15.391 3.890) 22.116 1.454 ( 17.632 10.234 0.166) 20.387 1.867 ( 1.353 11.840 -1.992) 12.082 1.966 ( 3.532 -1.241 2.692) 4.611 2.033 ( 0.038 -0.971 -1.184) 1.531 2.167 ( -1.817 -0.745 -0.304) 1.987 2.323 ( -0.838 2.507 -0.771) 2.753 2.330 ( 0.938 6.935 -1.718) 7.206 2.375 ( 2.942 7.093 3.113) 8.286 2.431 ( -4.572 -5.370 -1.406) 7.192 2.478 ( -3.939 2.158 -0.212) 4.496 2.677 ( 24.266 11.700 -1.182) 26.966 2.716 ( 1.810 3.386 0.570) 3.881 2.963 ( -5.700 -0.621 1.642) 5.965 3.038 ( -0.565 -2.493 -0.957) 2.729 3.091 ( -0.995 -5.111 -3.289) 6.158 3.163 ( -5.105 2.934 1.874) 6.179 3.365 ( -10.183 12.270 2.032) 16.074 3.532 ( -1.388 -1.968 1.175) 2.679 3.630 ( -0.602 1.445 2.161) 2.668 3.645 ( -1.516 0.125 -4.355) 4.613 3.786 ( -3.289 1.637 -1.356) 3.916 3.905 ( 0.816 3.242 -2.442) 4.140 3.981 ( 7.231 -2.133 -0.211) 7.542 4.047 ( -4.301 1.774 2.732) 5.395 4.230 ( -2.862 -3.224 -0.434) 4.333 4.292 ( -3.605 1.780 -3.599) 5.396 4.488 ( -4.913 1.579 3.478) 6.223 4.577 ( -12.119 -4.148 1.881) 12.946 4.858 ( -8.641 -6.139 -1.368) 10.688 4.902 ( -3.187 -4.331 1.441) 5.567 4.971 ( 6.795 -2.783 2.375) 7.717 5.165 ( -3.578 -10.084 3.448) 11.242 5.278 ( -4.796 -2.772 -2.115) 5.930 5.386 ( 12.739 3.185 0.363) 13.137 5.432 ( -0.115 9.069 -3.260) 9.638 5.545 ( -5.032 8.093 -1.555) 9.656 5.759 ( -1.244 4.717 1.218) 5.028 5.918 ( -6.695 -2.981 0.586) 7.352 6.191 ( -0.323 2.342 -3.946) 4.600 6.270 ( -18.609 6.038 -3.091) 19.806 6.326 ( 3.952 -12.065 0.766) 12.719 6.516 ( 0.322 -8.008 -3.423) 8.715 6.602 ( -6.010 -11.602 7.711) 15.172 6.636 ( -3.967 -6.958 4.752) 9.313 6.747 ( -5.840 -8.328 -3.890) 10.890 7.113 ( 5.185 4.523 -0.097) 6.881 7.250 ( 15.379 -6.249 -4.648) 17.238 7.398 ( 18.564 5.732 -5.552) 20.207 7.682 ( -3.368 -4.068 4.492) 6.933 7.856 ( 0.445 -3.835 -5.405) 6.642 7.916 ( 9.627 5.607 4.714) 12.097 8.189 ( 1.906 17.424 2.609) 17.721 8.292 ( -2.217 9.985 1.939) 10.410 8.317 ( -3.282 5.961 3.027) 7.447 8.641 ( 5.254 -5.825 -4.468) 9.027 8.844 ( -2.860 -5.715 -3.795) 7.432 8.931 ( 5.180 3.265 5.349) 8.130 8.972 ( 7.797 8.931 1.731) 11.982 9.157 ( -2.146 3.555 6.575) 7.776 9.430 ( -1.755 4.597 -7.668) 9.111 9.686 ( 1.588 -1.971 -2.878) 3.833 9.756 ( -3.922 0.637 -0.309) 3.985 9.982 ( -0.080 -4.688 7.263) 8.645 10.117 ( 0.819 -4.861 -0.738) 4.984 10.239 ( -1.458 -10.491 -2.798) 10.955 10.337 ( 0.658 5.187 -4.321) 6.783 10.492 ( 3.301 7.034 2.696) 8.225 10.684 ( 7.025 -6.045 0.110) 9.268 10.851 ( -0.187 -2.835 3.779) 4.728 10.913 ( 3.118 -0.097 1.593) 3.503 11.072 ( 6.542 2.716 -1.997) 7.359 11.247 ( -4.992 3.385 -4.045) 7.262 11.284 ( -4.476 0.154 5.392) 7.009 11.480 ( 7.221 4.593 -5.577) 10.215 11.569 ( 6.219 -2.985 3.148) 7.583 11.752 ( -0.161 8.400 0.956) 8.456 11.918 ( -5.481 1.758 0.470) 5.775 12.220 ( -3.059 -5.356 -2.892) 6.813 12.279 ( 0.675 -3.305 -1.120) 3.554 12.418 ( -7.941 -5.216 5.835) 11.149 12.565 ( -4.295 1.145 0.716) 4.502 12.746 ( -11.291 -3.648 -0.970) 11.905 12.906 ( -0.979 -3.543 -6.219) 7.224 13.129 ( 0.907 -2.160 -0.581) 2.413 13.253 ( 1.185 -10.527 1.359) 10.680 13.403 ( 2.786 -3.253 5.400) 6.892 13.591 ( -0.456 0.909 -0.959) 1.398 13.694 ( 3.558 -5.043 -2.817) 6.784 13.881 ( 1.738 -2.686 -0.434) 3.229 13.997 ( 1.232 1.486 -3.796) 4.259 14.130 ( -2.861 -11.360 3.222) 12.149 14.660 ( -1.703 3.806 2.788) 5.016 14.734 ( 1.558 0.315 -3.039) 3.430 14.889 ( -5.779 5.253 -3.615) 8.606 15.204 ( -13.439 -1.714 4.154) 14.171 15.974 ( 3.833 -8.166 0.305) 9.026 16.230 ( -5.491 -11.422 0.866) 12.703 16.879 ( -3.154 15.664 -2.419) 16.160 17.052 ( -2.349 16.806 2.050) 17.093 17.257 ( 20.727 6.387 -1.707) 21.756 17.397 ( 12.911 7.738 1.317) 15.110 17.980 ( 9.396 3.515 -6.304) 11.848 18.121 ( 4.853 -6.809 -3.428) 9.037 18.477 ( -4.983 7.178 15.471) 17.768 18.638 ( 1.889 -12.921 -4.304) 13.750 19.148 ( -2.656 -9.488 1.480) 9.963 19.281 ( 9.826 5.354 -2.413) 11.447 19.725 ( -7.253 7.991 2.857) 11.164 20.034 ( -5.852 6.133 -1.638) 8.634 20.112 ( -0.722 5.826 -0.609) 5.902 20.174 ( 0.979 -4.716 0.589) 4.852 20.310 ( 1.993 4.207 -3.637) 5.908 20.473 ( -8.693 -0.471 0.051) 8.706 20.575 ( -4.020 -8.437 -0.372) 9.353 20.825 ( 2.590 -2.099 0.732) 3.413 21.021 ( 1.918 7.187 1.354) 7.560 21.257 ( -6.932 12.081 0.128) 13.929 21.405 ( 9.279 -0.201 -1.533) 9.406 21.678 ( 10.655 -9.596 3.209) 14.694 21.851 ( 8.947 -1.736 -2.213) 9.379 22.089 ( -2.995 2.104 2.345) 4.347 22.359 ( -13.444 -8.935 2.308) 16.306 22.737 ( -13.942 -9.051 -1.255) 16.670 26.970 ( -0.178 2.597 -0.002) 2.603 27.087 ( -3.605 10.997 0.460) 11.582 27.296 ( -0.010 -3.233 1.564) 3.591 27.383 ( 2.235 -2.760 -0.408) 3.575 27.701 ( 0.740 2.103 0.221) 2.241 27.803 ( -0.822 4.744 1.046) 4.927 27.842 ( -0.308 3.215 0.241) 3.239 27.917 ( -0.291 2.660 0.410) 2.708 28.204 ( 0.728 -1.087 -6.712) 6.839 28.353 ( 0.020 -1.446 -1.358) 1.984 28.474 ( -2.283 4.334 -2.010) 5.295 28.500 ( 2.497 3.558 0.487) 4.374 28.595 ( -8.330 0.983 -0.993) 8.446 28.714 ( -5.331 -0.394 1.804) 5.641 28.797 ( -2.442 -0.311 3.088) 3.949 28.882 ( 0.903 -4.141 -1.850) 4.624 29.015 ( 1.702 2.750 0.001) 3.234 29.105 ( -2.423 3.987 -0.688) 4.716 29.232 ( 2.504 0.181 -0.423) 2.546 29.292 ( 3.513 -2.292 -0.595) 4.236 29.569 ( 0.063 0.641 -0.296) 0.709 29.671 ( 3.857 0.981 -4.994) 6.386 30.104 ( 1.894 -1.751 2.694) 3.730 30.243 ( -0.011 -1.978 1.873) 2.724 30.338 ( 0.026 1.515 0.949) 1.788 30.500 ( 4.070 -5.464 -10.114) 12.195 30.706 ( -5.473 -0.210 7.002) 8.890 30.838 ( -7.437 0.645 6.464) 9.875 31.644 ( 0.965 1.978 -1.329) 2.571 31.878 ( 3.001 -3.194 -0.112) 4.384 32.473 ( 13.129 -0.676 -1.889) 13.281 32.819 ( -0.444 -11.990 2.222) 12.202 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 8.400 0.000) 8.400 1.529 ( 0.000 9.227 -0.000) 9.227 2.003 ( 0.000 0.637 0.000) 0.637 2.041 ( 0.000 -1.449 -0.000) 1.449 2.085 ( -0.000 4.067 -0.000) 4.067 2.117 ( 0.000 5.814 0.000) 5.814 2.229 ( 0.000 -0.012 0.000) 0.012 2.249 ( 0.000 -1.417 -0.000) 1.417 2.338 ( 0.000 3.839 0.000) 3.839 2.390 ( 0.000 3.130 -0.000) 3.130 2.546 ( 0.000 7.002 0.000) 7.002 2.631 ( 0.000 5.601 -0.000) 5.601 2.803 ( 0.000 1.426 -0.000) 1.426 2.973 ( -0.000 -1.869 0.000) 1.869 3.046 ( 0.000 -1.503 0.000) 1.503 3.104 ( 0.000 -3.463 -0.000) 3.463 3.266 ( -0.000 6.109 -0.000) 6.109 3.299 ( 0.000 12.102 0.000) 12.102 3.508 ( 0.000 0.661 -0.000) 0.661 3.597 ( 0.000 -0.479 0.000) 0.479 3.637 ( 0.000 7.502 -0.000) 7.502 3.737 ( 0.000 4.614 0.000) 4.614 3.934 ( 0.000 2.522 0.000) 2.522 3.986 ( 0.000 2.257 -0.000) 2.257 4.105 ( 0.000 -9.723 -0.000) 9.723 4.202 ( 0.000 -4.038 -0.000) 4.038 4.257 ( 0.000 7.586 0.000) 7.586 4.399 ( 0.000 3.928 0.000) 3.928 4.512 ( -0.000 4.522 0.000) 4.522 4.542 ( 0.000 3.141 -0.000) 3.141 4.922 ( 0.000 -13.384 -0.000) 13.384 5.053 ( 0.000 -16.118 -0.000) 16.118 5.083 ( 0.000 -3.345 0.000) 3.345 5.279 ( 0.000 -7.332 -0.000) 7.332 5.419 ( 0.000 3.503 -0.000) 3.503 5.486 ( 0.000 3.022 0.000) 3.022 5.690 ( 0.000 5.407 -0.000) 5.407 5.756 ( 0.000 5.214 0.000) 5.214 5.854 ( 0.000 2.216 -0.000) 2.216 5.896 ( 0.000 4.111 0.000) 4.111 6.198 ( 0.000 1.595 0.000) 1.595 6.381 ( 0.000 -8.960 -0.000) 8.960 6.425 ( 0.000 -9.815 -0.000) 9.815 6.592 ( 0.000 -12.839 0.000) 12.839 6.603 ( 0.000 -6.281 -0.000) 6.281 6.739 ( 0.000 -8.015 -0.000) 8.015 7.188 ( 0.000 15.433 -0.000) 15.433 7.422 ( 0.000 7.434 -0.000) 7.434 7.583 ( -0.000 -9.702 0.000) 9.702 7.617 ( 0.000 -9.517 -0.000) 9.517 7.851 ( 0.000 -3.885 -0.000) 3.885 8.041 ( 0.000 1.167 0.000) 1.167 8.176 ( 0.000 16.673 0.000) 16.673 8.262 ( 0.000 3.101 -0.000) 3.101 8.338 ( 0.000 16.813 -0.000) 16.813 8.656 ( 0.000 -12.528 0.000) 12.528 8.772 ( 0.000 -2.336 0.000) 2.336 9.047 ( 0.000 9.653 -0.000) 9.653 9.066 ( 0.000 -1.982 0.000) 1.982 9.135 ( 0.000 8.086 0.000) 8.086 9.380 ( 0.000 0.505 -0.000) 0.505 9.694 ( 0.000 8.223 -0.000) 8.223 9.819 ( 0.000 -4.198 -0.000) 4.198 9.886 ( -0.000 -1.011 0.000) 1.011 10.115 ( 0.000 -3.923 0.000) 3.923 10.198 ( 0.000 -8.135 -0.000) 8.135 10.372 ( 0.000 -4.175 -0.000) 4.175 10.516 ( 0.000 12.349 -0.000) 12.349 10.822 ( 0.000 -4.199 -0.000) 4.199 10.828 ( -0.000 -7.291 0.000) 7.291 10.977 ( 0.000 1.980 -0.000) 1.980 11.088 ( 0.000 2.033 0.000) 2.033 11.209 ( 0.000 2.866 -0.000) 2.866 11.218 ( -0.000 -1.595 0.000) 1.595 11.612 ( -0.000 -3.246 0.000) 3.246 11.622 ( 0.000 0.883 -0.000) 0.883 11.704 ( 0.000 11.983 0.000) 11.983 11.873 ( 0.000 1.670 0.000) 1.670 12.188 ( 0.000 -3.373 -0.000) 3.373 12.300 ( 0.000 -8.871 -0.000) 8.871 12.344 ( 0.000 -3.883 -0.000) 3.883 12.556 ( 0.000 6.238 0.000) 6.238 12.564 ( -0.000 -2.673 -0.000) 2.673 12.886 ( 0.000 0.120 0.000) 0.120 13.133 ( 0.000 -0.790 0.000) 0.790 13.270 ( 0.000 -12.775 -0.000) 12.775 13.426 ( 0.000 -3.515 -0.000) 3.515 13.578 ( 0.000 1.713 -0.000) 1.713 13.731 ( 0.000 -7.973 -0.000) 7.973 13.939 ( 0.000 0.371 0.000) 0.371 14.011 ( 0.000 -4.766 -0.000) 4.766 14.070 ( 0.000 -9.389 0.000) 9.389 14.619 ( 0.000 8.711 0.000) 8.711 14.814 ( 0.000 -1.548 -0.000) 1.548 14.861 ( 0.000 -2.291 -0.000) 2.291 15.000 ( 0.000 -3.388 0.000) 3.388 16.031 ( 0.000 -7.303 -0.000) 7.303 16.168 ( 0.000 -10.555 0.000) 10.555 16.831 ( 0.000 19.174 -0.000) 19.174 17.017 ( 0.000 17.956 -0.000) 17.956 17.505 ( 0.000 7.519 0.000) 7.519 17.572 ( 0.000 11.177 -0.000) 11.177 17.988 ( 0.000 -4.568 0.000) 4.568 18.210 ( 0.000 0.387 -0.000) 0.387 18.426 ( 0.000 -2.235 0.000) 2.235 18.665 ( 0.000 -9.058 -0.000) 9.058 19.110 ( 0.000 -7.858 0.000) 7.858 19.416 ( 0.000 -5.781 -0.000) 5.781 19.627 ( 0.000 21.585 0.000) 21.585 19.957 ( 0.000 1.605 -0.000) 1.605 20.097 ( 0.000 5.322 0.000) 5.322 20.203 ( 0.000 -3.633 -0.000) 3.633 20.345 ( 0.000 2.312 0.000) 2.312 20.361 ( -0.000 5.123 0.000) 5.123 20.523 ( 0.000 -10.806 -0.000) 10.806 20.862 ( 0.000 -4.350 0.000) 4.350 21.085 ( 0.000 10.905 0.000) 10.905 21.128 ( -0.000 13.783 -0.000) 13.783 21.579 ( 0.000 -0.136 0.000) 0.136 21.658 ( 0.000 0.954 -0.000) 0.954 22.037 ( 0.000 -3.596 -0.000) 3.596 22.113 ( -0.000 -12.119 -0.000) 12.119 22.191 ( 0.000 -8.215 0.000) 8.215 22.530 ( 0.000 -8.029 0.000) 8.029 26.968 ( 0.000 3.018 0.000) 3.018 27.055 ( 0.000 9.532 0.000) 9.532 27.294 ( 0.000 -2.461 -0.000) 2.461 27.412 ( 0.000 -4.519 0.000) 4.519 27.709 ( 0.000 2.189 0.000) 2.189 27.796 ( 0.000 1.965 -0.000) 1.965 27.844 ( 0.000 5.562 -0.000) 5.562 27.910 ( 0.000 2.437 -0.000) 2.437 28.212 ( 0.000 -1.931 0.000) 1.931 28.347 ( 0.000 -2.293 0.000) 2.293 28.455 ( 0.000 3.393 0.000) 3.393 28.500 ( 0.000 1.371 -0.000) 1.371 28.549 ( 0.000 3.568 0.000) 3.568 28.657 ( 0.000 0.881 -0.000) 0.881 28.765 ( 0.000 -0.342 -0.000) 0.342 28.892 ( 0.000 -4.449 -0.000) 4.449 29.045 ( 0.000 2.539 0.000) 2.539 29.067 ( 0.000 4.165 0.000) 4.165 29.256 ( 0.000 0.048 -0.000) 0.048 29.330 ( 0.000 -2.430 0.000) 2.430 29.570 ( 0.000 0.572 0.000) 0.572 29.708 ( 0.000 -0.469 -0.000) 0.469 30.128 ( 0.000 0.110 -0.000) 0.110 30.227 ( 0.000 -1.459 -0.000) 1.459 30.352 ( 0.000 5.176 -0.000) 5.176 30.562 ( 0.000 -2.328 0.000) 2.328 30.639 ( 0.000 -4.984 -0.000) 4.984 30.751 ( 0.000 -3.049 -0.000) 3.049 31.655 ( 0.000 2.083 0.000) 2.083 31.910 ( 0.000 -3.426 -0.000) 3.426 32.665 ( 0.000 -3.145 -0.000) 3.145 32.747 ( -0.000 -4.996 0.000) 4.996 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 28.135 0.000) 28.135 1.483 ( 0.000 31.407 0.000) 31.407 1.827 ( 0.000 -7.995 0.000) 7.995 1.922 ( 0.000 1.149 0.000) 1.149 1.983 ( 0.000 -4.304 0.000) 4.304 2.069 ( 0.000 -23.828 0.000) 23.828 2.386 ( 0.000 5.549 0.000) 5.549 2.472 ( 0.000 14.262 0.000) 14.262 2.478 ( 0.000 0.360 0.000) 0.360 2.528 ( 0.000 18.582 0.000) 18.582 2.543 ( 0.000 12.449 0.000) 12.449 2.604 ( 0.000 0.455 0.000) 0.455 2.680 ( 0.000 -1.568 0.000) 1.568 2.778 ( 0.000 -8.836 0.000) 8.836 2.908 ( 0.000 0.950 0.000) 0.950 3.090 ( 0.000 1.513 0.000) 1.513 3.233 ( 0.000 -5.600 0.000) 5.600 3.323 ( 0.000 -17.746 0.000) 17.746 3.515 ( 0.000 5.958 0.000) 5.958 3.699 ( 0.000 -6.748 0.000) 6.748 3.736 ( 0.000 -0.013 0.000) 0.013 3.789 ( 0.000 -7.793 0.000) 7.793 3.894 ( 0.000 1.757 0.000) 1.757 3.993 ( 0.000 -8.698 0.000) 8.698 4.341 ( 0.000 12.905 0.000) 12.905 4.468 ( 0.000 3.152 0.000) 3.152 4.543 ( 0.000 4.347 0.000) 4.347 4.616 ( 0.000 -7.313 0.000) 7.313 4.645 ( 0.000 15.607 0.000) 15.607 4.803 ( 0.000 5.112 0.000) 5.112 4.936 ( 0.000 -6.740 0.000) 6.740 5.045 ( 0.000 -19.459 0.000) 19.459 5.271 ( 0.000 12.134 0.000) 12.134 5.375 ( 0.000 14.207 0.000) 14.207 5.617 ( 0.000 -18.185 0.000) 18.185 5.630 ( 0.000 -12.644 0.000) 12.644 5.636 ( 0.000 19.388 0.000) 19.388 5.731 ( 0.000 12.321 0.000) 12.321 6.033 ( 0.000 -18.765 0.000) 18.765 6.090 ( 0.000 -19.171 0.000) 19.171 6.184 ( 0.000 5.421 0.000) 5.421 6.291 ( 0.000 -5.169 0.000) 5.169 6.433 ( 0.000 9.117 0.000) 9.117 6.491 ( 0.000 0.728 0.000) 0.728 6.509 ( 0.000 3.662 0.000) 3.662 6.667 ( 0.000 -8.071 0.000) 8.071 6.991 ( 0.000 5.471 0.000) 5.471 7.192 ( 0.000 -12.112 0.000) 12.112 7.334 ( 0.000 17.321 0.000) 17.321 7.668 ( 0.000 3.641 0.000) 3.641 7.718 ( 0.000 -17.896 0.000) 17.896 7.742 ( 0.000 -2.466 0.000) 2.466 8.335 ( 0.000 0.200 0.000) 0.200 8.340 ( 0.000 -0.571 0.000) 0.571 8.508 ( 0.000 6.266 0.000) 6.266 8.535 ( 0.000 5.293 0.000) 5.293 8.980 ( 0.000 24.057 0.000) 24.057 9.019 ( 0.000 22.182 0.000) 22.182 9.104 ( 0.000 4.350 0.000) 4.350 9.185 ( 0.000 -1.469 0.000) 1.469 9.469 ( 0.000 -11.532 0.000) 11.532 9.501 ( 0.000 -21.207 0.000) 21.207 9.718 ( 0.000 2.764 0.000) 2.764 9.837 ( 0.000 -3.319 0.000) 3.319 10.036 ( 0.000 -3.052 0.000) 3.052 10.092 ( 0.000 -8.620 0.000) 8.620 10.267 ( 0.000 3.619 0.000) 3.619 10.360 ( 0.000 -4.505 0.000) 4.505 10.590 ( 0.000 5.122 0.000) 5.122 10.704 ( 0.000 -4.449 0.000) 4.449 10.971 ( 0.000 1.760 0.000) 1.760 11.001 ( 0.000 1.487 0.000) 1.487 11.208 ( 0.000 -1.886 0.000) 1.886 11.266 ( 0.000 -4.388 0.000) 4.388 11.467 ( 0.000 6.292 0.000) 6.292 11.488 ( 0.000 6.167 0.000) 6.167 12.044 ( 0.000 9.710 0.000) 9.710 12.180 ( 0.000 1.945 0.000) 1.945 12.244 ( 0.000 -5.660 0.000) 5.660 12.280 ( 0.000 -3.853 0.000) 3.853 12.457 ( 0.000 -3.310 0.000) 3.310 12.511 ( 0.000 -6.413 0.000) 6.413 12.697 ( 0.000 2.154 0.000) 2.154 12.794 ( 0.000 -7.754 0.000) 7.754 13.035 ( 0.000 -3.627 0.000) 3.627 13.048 ( 0.000 -4.026 0.000) 4.026 13.461 ( 0.000 6.838 0.000) 6.838 13.587 ( 0.000 0.691 0.000) 0.691 13.591 ( 0.000 0.060 0.000) 0.060 13.646 ( 0.000 -10.988 0.000) 10.988 14.109 ( 0.000 0.401 0.000) 0.401 14.124 ( 0.000 -0.667 0.000) 0.667 14.735 ( 0.000 0.744 0.000) 0.744 14.770 ( 0.000 -2.418 0.000) 2.418 15.663 ( 0.000 6.801 0.000) 6.801 15.772 ( 0.000 27.067 0.000) 27.067 15.859 ( 0.000 -6.699 0.000) 6.699 16.268 ( 0.000 1.480 0.000) 1.480 16.339 ( 0.000 -4.106 0.000) 4.106 16.438 ( 0.000 -29.116 0.000) 29.116 17.315 ( 0.000 4.734 0.000) 4.734 17.388 ( 0.000 1.625 0.000) 1.625 17.909 ( 0.000 12.017 0.000) 12.017 17.990 ( 0.000 25.955 0.000) 25.955 18.258 ( 0.000 -17.012 0.000) 17.012 18.512 ( 0.000 -23.618 0.000) 23.618 19.107 ( 0.000 13.463 0.000) 13.463 19.275 ( 0.000 -2.397 0.000) 2.397 19.922 ( 0.000 -0.574 0.000) 0.574 19.966 ( 0.000 -5.225 0.000) 5.225 20.265 ( 0.000 8.591 0.000) 8.591 20.362 ( 0.000 3.455 0.000) 3.455 20.388 ( 0.000 6.939 0.000) 6.939 20.502 ( 0.000 -4.736 0.000) 4.736 20.571 ( 0.000 -2.950 0.000) 2.950 20.581 ( 0.000 -5.818 0.000) 5.818 21.095 ( 0.000 5.838 0.000) 5.838 21.199 ( 0.000 -3.401 0.000) 3.401 21.265 ( 0.000 9.318 0.000) 9.318 21.467 ( 0.000 -9.232 0.000) 9.232 22.041 ( 0.000 21.406 0.000) 21.406 22.417 ( 0.000 -14.736 0.000) 14.736 22.574 ( 0.000 8.171 0.000) 8.171 22.810 ( 0.000 -13.261 0.000) 13.261 27.036 ( 0.000 4.249 0.000) 4.249 27.144 ( 0.000 -5.757 0.000) 5.757 27.366 ( 0.000 0.512 0.000) 0.512 27.369 ( 0.000 0.266 0.000) 0.266 27.747 ( 0.000 3.952 0.000) 3.952 27.823 ( 0.000 -3.205 0.000) 3.205 27.954 ( 0.000 2.547 0.000) 2.547 27.998 ( 0.000 -1.820 0.000) 1.820 28.266 ( 0.000 4.878 0.000) 4.878 28.335 ( 0.000 -1.340 0.000) 1.340 28.513 ( 0.000 6.331 0.000) 6.331 28.656 ( 0.000 -7.007 0.000) 7.007 28.868 ( 0.000 2.204 0.000) 2.204 28.926 ( 0.000 -2.450 0.000) 2.450 28.947 ( 0.000 1.814 0.000) 1.814 28.979 ( 0.000 -1.823 0.000) 1.823 29.094 ( 0.000 2.016 0.000) 2.016 29.097 ( 0.000 0.704 0.000) 0.704 29.111 ( 0.000 -0.511 0.000) 0.511 29.139 ( 0.000 -1.913 0.000) 1.913 29.571 ( 0.000 6.095 0.000) 6.095 29.728 ( 0.000 -8.747 0.000) 8.747 29.748 ( 0.000 11.722 0.000) 11.722 30.003 ( 0.000 -11.759 0.000) 11.759 30.337 ( 0.000 1.443 0.000) 1.443 30.382 ( 0.000 -2.423 0.000) 2.423 31.059 ( 0.000 9.721 0.000) 9.721 31.243 ( 0.000 -7.597 0.000) 7.597 31.773 ( 0.000 -0.111 0.000) 0.111 31.786 ( 0.000 -1.421 0.000) 1.421 31.952 ( 0.000 3.419 0.000) 3.419 32.028 ( 0.000 -3.705 0.000) 3.705 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 5.765 21.723 2.769) 22.645 1.545 ( 6.858 21.046 0.557) 22.142 1.903 ( 0.777 -0.820 1.879) 2.193 1.905 ( -0.080 -0.366 -1.563) 1.608 2.003 ( 5.894 -6.588 -0.848) 8.881 2.154 ( 6.825 -17.738 -1.265) 19.047 2.298 ( -6.752 5.858 -0.411) 8.948 2.414 ( -6.504 -4.762 -1.220) 8.152 2.494 ( 1.390 10.455 3.886) 11.240 2.547 ( 2.739 7.497 0.132) 7.983 2.557 ( -1.259 8.321 0.234) 8.419 2.677 ( 7.335 10.163 -2.067) 12.702 2.697 ( 2.835 1.894 3.240) 4.704 2.819 ( 3.879 -7.558 -2.214) 8.779 2.937 ( 4.003 6.029 -2.124) 7.542 3.103 ( 0.618 1.500 -0.228) 1.638 3.267 ( 2.598 -2.663 0.870) 3.821 3.412 ( 6.574 -11.917 -0.576) 13.622 3.519 ( 1.267 2.457 0.244) 2.775 3.641 ( -3.955 -4.147 3.634) 6.785 3.771 ( -2.700 -0.124 -5.148) 5.815 3.791 ( 2.431 -2.340 -5.542) 6.489 3.926 ( 4.336 0.492 2.827) 5.200 4.026 ( 3.283 -9.628 -0.163) 10.173 4.186 ( -13.985 9.117 15.616) 22.860 4.273 ( -12.093 12.519 -12.653) 21.519 4.358 ( -13.016 -5.503 8.065) 16.271 4.533 ( -6.748 -10.138 -6.843) 13.969 4.679 ( -2.539 11.384 -5.293) 12.809 4.870 ( 2.099 4.575 3.889) 6.361 4.911 ( -4.036 -6.918 3.160) 8.610 5.050 ( -0.418 -11.741 1.282) 11.819 5.202 ( -7.963 11.607 -2.208) 14.248 5.277 ( -2.105 3.528 -6.644) 7.812 5.429 ( -7.986 2.101 5.967) 10.188 5.642 ( 0.052 3.981 1.395) 4.219 5.674 ( 2.503 -7.301 -1.565) 7.875 5.802 ( 0.987 5.070 1.455) 5.366 5.988 ( -5.589 -4.963 -0.133) 7.476 6.097 ( 2.548 -9.363 12.024) 15.451 6.240 ( 1.792 -2.955 -3.419) 4.862 6.327 ( -0.737 -4.947 -2.357) 5.529 6.409 ( -2.616 5.033 -0.783) 5.726 6.487 ( 0.934 -5.640 2.340) 6.177 6.612 ( 8.271 6.566 -5.436) 11.877 6.780 ( 8.787 -6.484 -5.398) 12.181 7.011 ( -14.240 -0.219 -3.064) 14.568 7.053 ( -12.604 -0.014 -8.978) 15.475 7.246 ( 1.346 2.828 3.422) 4.639 7.426 ( 13.066 -10.194 0.305) 16.575 7.818 ( 4.792 7.216 1.061) 8.727 7.968 ( 1.336 -4.846 2.429) 5.583 8.351 ( 2.762 1.794 1.003) 3.443 8.412 ( 0.798 -2.469 4.465) 5.164 8.468 ( -0.421 9.832 2.125) 10.068 8.586 ( 4.881 -1.634 -0.470) 5.169 8.990 ( -0.140 26.465 -7.663) 27.552 9.056 ( 4.315 14.930 11.219) 19.168 9.083 ( -1.604 8.093 -0.337) 8.258 9.190 ( -0.338 -2.934 5.151) 5.938 9.432 ( 0.815 -10.960 1.402) 11.079 9.545 ( 0.799 -14.572 -8.377) 16.827 9.738 ( -0.562 -1.618 -1.960) 2.603 9.795 ( -0.411 -7.331 2.307) 7.696 10.003 ( -4.016 -3.024 -0.915) 5.109 10.058 ( 1.037 -4.683 -0.246) 4.803 10.353 ( 5.682 3.342 -0.805) 6.641 10.447 ( 6.029 -4.959 1.460) 7.942 10.625 ( 3.719 7.343 -1.974) 8.465 10.746 ( 4.162 -3.728 -2.355) 6.063 10.935 ( -1.752 4.194 0.884) 4.630 11.026 ( 2.191 -1.961 -1.504) 3.303 11.281 ( 4.264 -1.291 5.213) 6.858 11.319 ( 5.755 -3.728 3.024) 7.494 11.444 ( -2.422 6.737 -2.090) 7.458 11.502 ( 0.452 2.962 -2.514) 3.911 11.963 ( -2.326 9.972 3.988) 10.989 12.108 ( -5.801 -1.842 4.385) 7.501 12.222 ( -9.182 -0.876 -1.797) 9.398 12.266 ( -0.433 -0.582 -3.441) 3.517 12.454 ( -3.158 -4.076 4.475) 6.827 12.503 ( 1.858 -8.316 -2.562) 8.898 12.723 ( 3.080 -1.114 -8.216) 8.845 12.772 ( -2.184 -5.616 -5.222) 7.974 13.007 ( -0.480 -1.299 2.718) 3.051 13.077 ( 0.863 -6.750 2.421) 7.223 13.458 ( -0.494 7.317 1.479) 7.482 13.592 ( 0.730 1.093 -0.426) 1.382 13.603 ( 0.395 -2.892 -0.030) 2.919 13.665 ( 2.278 -9.453 2.499) 10.039 14.072 ( -3.433 0.880 1.452) 3.830 14.086 ( -3.089 -0.524 -2.903) 4.271 14.698 ( -2.673 0.907 -1.438) 3.168 14.732 ( -2.674 -2.207 -2.408) 4.221 15.436 ( -21.903 10.601 0.825) 24.348 15.501 ( -18.326 2.823 2.353) 18.691 15.837 ( 3.753 4.160 0.642) 5.639 16.099 ( -6.147 -14.385 0.110) 15.643 16.722 ( 30.017 6.225 -0.412) 30.659 16.908 ( 27.779 -11.134 -1.657) 29.973 17.307 ( -1.317 6.270 0.582) 6.433 17.375 ( -1.689 3.014 2.203) 4.098 17.956 ( 4.002 7.427 -0.142) 8.438 18.035 ( 4.939 16.118 -3.212) 17.161 18.325 ( 5.159 -10.512 -0.813) 11.738 18.540 ( 2.526 -16.637 4.761) 17.489 19.093 ( -1.596 9.236 0.782) 9.405 19.249 ( -1.871 -3.143 -0.222) 3.665 19.893 ( -1.446 3.358 2.427) 4.388 20.004 ( 2.513 -6.521 1.852) 7.230 20.258 ( -1.948 6.069 -5.514) 8.429 20.322 ( -2.873 4.786 -7.214) 9.122 20.435 ( 2.758 8.719 2.006) 9.362 20.455 ( -3.710 -3.835 2.794) 6.023 20.543 ( -1.992 -4.989 0.131) 5.374 20.649 ( 4.235 -8.542 3.754) 10.247 21.129 ( 3.784 6.847 0.384) 7.832 21.229 ( 2.878 -0.630 -1.161) 3.167 21.293 ( 4.750 6.397 1.004) 8.031 21.492 ( 2.611 -9.456 -0.481) 9.821 21.979 ( -5.633 19.419 -0.062) 20.220 22.324 ( -9.275 -13.095 -0.912) 16.073 22.459 ( -10.353 8.545 1.703) 13.532 22.714 ( -9.265 -13.961 -0.152) 16.756 27.041 ( 0.467 4.593 -0.203) 4.621 27.156 ( 1.178 -6.117 -0.156) 6.232 27.330 ( -3.182 2.510 0.570) 4.093 27.358 ( -1.090 -0.508 1.759) 2.130 27.750 ( 0.250 3.495 0.911) 3.620 27.817 ( -0.524 -2.800 1.207) 3.093 27.953 ( -0.133 3.284 0.728) 3.366 27.997 ( -0.020 -0.102 0.502) 0.513 28.244 ( -1.869 4.818 -6.874) 8.600 28.327 ( -0.874 -2.312 -2.630) 3.609 28.536 ( 2.204 6.100 -0.199) 6.489 28.667 ( 0.432 -5.746 0.068) 5.763 28.741 ( -11.301 2.943 0.798) 11.705 28.800 ( -10.459 -2.521 -0.586) 10.775 28.871 ( -4.546 0.709 0.323) 4.612 28.874 ( -5.917 0.350 0.413) 5.942 29.063 ( 0.777 3.833 0.938) 4.022 29.141 ( 3.730 -3.130 -1.167) 5.007 29.179 ( 3.788 1.182 -0.420) 3.990 29.194 ( 1.631 -0.086 -1.142) 1.992 29.634 ( 3.923 3.421 -3.169) 6.094 29.646 ( -2.565 3.839 -1.210) 4.773 29.931 ( 10.229 -1.720 4.646) 11.365 30.043 ( 4.539 -10.168 2.458) 11.403 30.330 ( -0.260 1.472 -3.853) 4.133 30.378 ( -0.098 -2.787 -5.009) 5.733 30.961 ( -9.237 6.976 6.354) 13.205 31.066 ( -13.506 -2.430 5.254) 14.694 31.689 ( -0.978 3.138 -1.414) 3.578 31.756 ( 0.667 -3.108 -0.692) 3.253 32.217 ( 14.681 1.355 -0.690) 14.759 32.313 ( 20.478 -8.876 0.233) 22.320 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 7.205 13.984 1.556) 15.807 1.692 ( 6.082 8.250 1.018) 10.300 1.909 ( 2.432 -1.170 -0.490) 2.743 1.927 ( 2.907 -2.489 -0.200) 3.832 2.144 ( 1.652 0.434 -0.301) 1.735 2.166 ( -0.701 6.500 1.195) 6.646 2.250 ( -7.318 -6.921 -0.292) 10.076 2.277 ( 2.681 -5.803 0.237) 6.397 2.510 ( -2.576 7.317 0.988) 7.820 2.560 ( 1.899 2.517 0.691) 3.228 2.583 ( 2.546 11.342 -0.466) 11.634 2.708 ( 0.048 -0.591 -0.433) 0.734 2.790 ( 2.487 -2.690 0.498) 3.697 2.889 ( 2.640 -10.709 -2.585) 11.329 3.069 ( -4.433 3.975 0.771) 6.004 3.116 ( 2.778 2.826 -1.252) 4.156 3.312 ( 7.231 15.071 2.156) 16.854 3.481 ( 2.248 -0.335 2.083) 3.083 3.563 ( -3.118 1.115 1.141) 3.503 3.584 ( 1.520 -2.623 -0.778) 3.130 3.712 ( -1.532 3.345 -5.399) 6.534 3.794 ( -2.866 -1.795 -2.208) 4.039 3.923 ( -0.461 0.888 2.939) 3.104 3.984 ( -7.020 -4.315 1.129) 8.317 4.115 ( 2.483 8.235 -4.131) 9.542 4.170 ( 4.904 1.622 1.876) 5.495 4.263 ( 5.581 -4.414 1.370) 7.247 4.394 ( -6.363 -10.799 -2.708) 12.824 4.573 ( -4.407 5.880 -2.609) 7.797 4.718 ( -9.059 -6.356 -1.061) 11.117 4.864 ( -6.496 3.364 6.443) 9.748 4.971 ( -7.999 -5.772 1.760) 10.019 5.174 ( 2.579 10.589 -0.493) 10.909 5.227 ( -2.290 -0.351 -0.981) 2.516 5.429 ( 6.596 2.258 2.590) 7.437 5.592 ( -4.163 -0.488 0.374) 4.208 5.684 ( -8.772 5.205 -2.768) 10.569 5.788 ( -2.165 -6.518 -2.906) 7.458 5.826 ( -1.075 4.979 2.888) 5.856 6.118 ( -16.561 -18.308 -2.704) 24.834 6.185 ( 3.250 0.774 7.246) 7.979 6.260 ( 0.163 -1.754 -2.072) 2.720 6.405 ( -4.039 3.420 1.815) 5.596 6.484 ( -2.335 -2.440 -2.986) 4.508 6.551 ( -5.951 0.031 -0.226) 5.956 6.603 ( -11.427 -3.270 1.622) 11.996 7.053 ( 17.781 -4.399 -0.189) 18.318 7.114 ( 14.365 -8.098 -9.599) 19.081 7.567 ( 17.568 7.542 -1.447) 19.173 7.712 ( 7.300 -5.279 -0.891) 9.053 7.758 ( -8.402 7.776 -3.383) 11.938 7.926 ( -1.097 -4.350 2.708) 5.240 8.324 ( -2.726 3.322 -0.240) 4.304 8.407 ( 0.002 -0.319 1.032) 1.080 8.515 ( 1.012 4.112 8.695) 9.672 8.651 ( 1.802 -2.713 2.163) 3.909 8.942 ( -6.108 18.127 -3.674) 19.478 9.027 ( -1.325 6.505 1.368) 6.778 9.191 ( 2.551 2.735 5.798) 6.900 9.202 ( 7.296 9.858 4.400) 13.029 9.474 ( 0.513 -0.821 -3.516) 3.647 9.590 ( 5.013 -10.574 -9.902) 15.329 9.696 ( 0.142 -3.097 0.156) 3.104 9.828 ( 0.111 -17.073 6.385) 18.228 9.958 ( -1.120 2.637 0.128) 2.868 10.060 ( -1.843 -5.624 1.217) 6.042 10.438 ( 1.897 5.287 -3.183) 6.456 10.542 ( 4.722 -4.524 -0.512) 6.560 10.723 ( 5.941 7.258 -1.614) 9.517 10.846 ( 6.555 -2.614 -1.279) 7.172 10.929 ( -0.249 7.903 1.149) 7.990 11.097 ( 4.782 -3.188 -3.815) 6.897 11.293 ( -3.775 2.347 2.546) 5.123 11.344 ( -5.423 2.062 0.721) 5.847 11.455 ( 4.621 -2.955 0.275) 5.492 11.505 ( 0.454 -2.880 1.664) 3.357 11.964 ( -0.780 10.071 -1.311) 10.185 12.009 ( -2.278 5.495 5.157) 7.873 12.104 ( -1.011 -4.676 -1.125) 4.914 12.188 ( -5.997 -7.498 1.357) 9.697 12.345 ( -4.556 2.894 -0.155) 5.400 12.512 ( -2.411 -7.786 0.408) 8.161 12.718 ( -2.199 1.839 -4.721) 5.524 12.792 ( 2.421 -5.316 -6.696) 8.886 13.026 ( 1.992 -3.055 0.946) 3.768 13.079 ( -0.412 -6.631 3.046) 7.309 13.437 ( -1.308 5.697 2.135) 6.223 13.578 ( -2.564 -6.541 0.281) 7.031 13.625 ( 2.172 2.579 -0.661) 3.436 13.728 ( 3.547 -8.047 1.486) 8.919 14.015 ( -3.620 0.109 -1.699) 4.000 14.023 ( -1.227 -0.542 0.177) 1.353 14.685 ( 1.995 0.799 -1.049) 2.391 14.713 ( 1.874 -1.772 -2.905) 3.885 15.037 ( -17.349 6.496 0.478) 18.532 15.144 ( -17.518 -3.995 2.661) 18.163 15.930 ( 4.997 3.397 0.266) 6.048 16.051 ( -0.499 -7.121 0.557) 7.160 17.159 ( 5.263 11.284 -2.184) 12.642 17.284 ( -1.810 3.758 1.991) 4.622 17.385 ( 19.897 3.772 -1.190) 20.286 17.451 ( 20.209 -2.284 2.028) 20.438 17.999 ( -1.616 2.557 -0.368) 3.047 18.109 ( -0.857 -1.726 -4.597) 4.984 18.411 ( 3.961 2.588 4.082) 6.249 18.601 ( 3.338 -6.467 2.766) 7.786 19.051 ( -2.276 4.733 -0.065) 5.252 19.229 ( -0.072 -8.236 -1.744) 8.419 19.898 ( 2.519 8.146 5.497) 10.145 20.048 ( 1.597 -6.296 3.159) 7.223 20.175 ( -5.740 6.011 -8.199) 11.675 20.277 ( -1.444 3.224 -5.391) 6.445 20.348 ( -5.656 0.293 -0.432) 5.680 20.468 ( -4.661 -4.787 0.328) 6.689 20.492 ( 1.345 8.408 4.553) 9.655 20.704 ( 1.421 -9.465 1.347) 9.665 21.234 ( 6.345 11.117 -0.615) 12.815 21.352 ( 9.454 0.036 0.411) 9.463 21.443 ( 7.542 2.306 0.835) 7.931 21.555 ( 3.698 -6.539 -0.162) 7.513 21.890 ( -0.836 7.304 -0.886) 7.405 22.086 ( -13.752 -8.494 -0.519) 16.172 22.234 ( -11.464 6.207 2.191) 13.220 22.486 ( -12.966 -14.027 -0.528) 19.109 27.051 ( 0.483 5.293 -0.198) 5.319 27.181 ( 1.082 -6.600 0.071) 6.688 27.266 ( -2.804 5.400 0.856) 6.144 27.338 ( -0.741 -2.147 0.802) 2.409 27.757 ( 0.481 2.840 0.890) 3.015 27.808 ( -0.364 -1.801 1.148) 2.166 27.953 ( 0.279 4.718 0.302) 4.736 27.997 ( -0.020 1.892 0.125) 1.896 28.205 ( -1.898 2.737 -6.072) 6.926 28.298 ( -2.015 -4.209 -2.786) 5.435 28.559 ( -5.176 2.748 0.542) 5.885 28.582 ( -1.627 2.773 -2.556) 4.107 28.608 ( -2.547 1.944 1.128) 3.397 28.698 ( 0.093 -2.850 2.795) 3.992 28.779 ( -3.712 -0.166 0.151) 3.718 28.809 ( -2.087 -2.375 0.035) 3.162 29.093 ( 1.875 4.800 0.196) 5.157 29.184 ( -0.670 0.115 -1.160) 1.345 29.213 ( 2.533 -0.907 -1.116) 2.912 29.243 ( 1.929 -1.103 0.580) 2.296 29.614 ( -0.909 3.520 -0.345) 3.652 29.676 ( 0.480 -1.346 -1.339) 1.958 30.086 ( 5.616 0.850 2.420) 6.174 30.158 ( 4.703 -5.406 3.258) 7.871 30.354 ( 3.883 1.413 -3.745) 5.577 30.410 ( 4.536 -3.542 -8.640) 10.381 30.746 ( -11.863 3.696 6.094) 13.839 30.819 ( -11.682 -2.553 5.913) 13.340 31.704 ( 1.391 3.790 -0.982) 4.155 31.794 ( 2.252 -4.557 -0.453) 5.103 32.483 ( 11.276 2.342 -0.714) 11.539 32.593 ( 7.901 -8.449 0.853) 11.599 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -0.000 9.039 0.000) 9.039 1.736 ( 0.000 7.566 -0.000) 7.566 1.973 ( 0.000 -0.713 0.000) 0.713 1.998 ( 0.000 -1.544 -0.000) 1.544 2.073 ( 0.000 -2.700 -0.000) 2.700 2.089 ( 0.000 -3.350 0.000) 3.350 2.273 ( 0.000 1.758 -0.000) 1.758 2.316 ( -0.000 -1.055 0.000) 1.055 2.478 ( 0.000 9.884 0.000) 9.884 2.546 ( 0.000 6.080 -0.000) 6.080 2.661 ( -0.000 4.053 -0.000) 4.053 2.683 ( 0.000 1.939 0.000) 1.939 2.837 ( 0.000 2.322 -0.000) 2.322 2.934 ( 0.000 -1.167 0.000) 1.167 2.994 ( -0.000 -3.422 0.000) 3.422 2.998 ( 0.000 -6.949 -0.000) 6.949 3.427 ( 0.000 8.144 0.000) 8.144 3.503 ( 0.000 0.328 -0.000) 0.328 3.562 ( 0.000 6.760 -0.000) 6.760 3.585 ( 0.000 -0.769 0.000) 0.769 3.714 ( 0.000 2.726 -0.000) 2.726 3.763 ( 0.000 -0.221 -0.000) 0.221 3.900 ( 0.000 -6.631 -0.000) 6.631 3.956 ( 0.000 -8.429 0.000) 8.429 4.175 ( 0.000 16.220 0.000) 16.220 4.205 ( -0.000 7.176 -0.000) 7.176 4.324 ( 0.000 -2.280 0.000) 2.280 4.427 ( 0.000 -4.861 0.000) 4.861 4.635 ( -0.000 -4.628 0.000) 4.628 4.680 ( -0.000 -1.415 0.000) 1.415 4.704 ( 0.000 3.807 -0.000) 3.807 4.714 ( -0.000 -2.016 0.000) 2.016 5.200 ( 0.000 13.595 0.000) 13.595 5.215 ( 0.000 3.232 -0.000) 3.232 5.511 ( 0.000 -1.715 0.000) 1.715 5.539 ( 0.000 5.250 0.000) 5.250 5.670 ( 0.000 -9.380 0.000) 9.380 5.743 ( 0.000 -8.826 -0.000) 8.826 5.799 ( -0.000 -8.696 -0.000) 8.696 5.838 ( 0.000 -4.549 0.000) 4.549 6.251 ( 0.000 2.218 0.000) 2.218 6.259 ( -0.000 5.524 -0.000) 5.524 6.325 ( 0.000 1.931 0.000) 1.931 6.429 ( 0.000 -5.789 0.000) 5.789 6.509 ( 0.000 -1.962 0.000) 1.962 6.558 ( 0.000 -7.419 -0.000) 7.419 7.311 ( -0.000 -7.445 -0.000) 7.445 7.346 ( 0.000 -10.546 0.000) 10.546 7.560 ( 0.000 15.544 -0.000) 15.544 7.636 ( 0.000 5.430 -0.000) 5.430 7.824 ( 0.000 0.626 -0.000) 0.626 7.959 ( 0.000 -8.397 0.000) 8.397 8.302 ( 0.000 3.549 0.000) 3.549 8.425 ( 0.000 -8.788 -0.000) 8.788 8.481 ( 0.000 12.566 0.000) 12.566 8.699 ( 0.000 -7.015 0.000) 7.015 8.833 ( 0.000 20.587 -0.000) 20.587 9.013 ( 0.000 -2.019 0.000) 2.019 9.254 ( 0.000 9.637 -0.000) 9.637 9.298 ( 0.000 5.872 -0.000) 5.872 9.425 ( 0.000 6.497 -0.000) 6.497 9.706 ( 0.000 -4.522 -0.000) 4.522 9.715 ( -0.000 -6.969 0.000) 6.969 9.805 ( 0.000 -22.164 -0.000) 22.164 9.925 ( -0.000 4.550 0.000) 4.550 10.026 ( 0.000 -4.676 0.000) 4.676 10.444 ( 0.000 6.898 0.000) 6.898 10.609 ( 0.000 -8.179 -0.000) 8.179 10.823 ( 0.000 5.065 -0.000) 5.065 10.878 ( 0.000 12.418 -0.000) 12.418 10.971 ( 0.000 -0.069 0.000) 0.069 11.136 ( 0.000 -1.273 0.000) 1.273 11.230 ( 0.000 2.054 -0.000) 2.054 11.264 ( 0.000 0.931 0.000) 0.931 11.502 ( 0.000 -6.214 0.000) 6.214 11.511 ( 0.000 -5.282 -0.000) 5.282 11.953 ( 0.000 6.338 -0.000) 6.338 11.995 ( 0.000 9.723 0.000) 9.723 12.105 ( 0.000 -6.079 0.000) 6.079 12.129 ( 0.000 -6.592 0.000) 6.592 12.301 ( 0.000 4.123 -0.000) 4.123 12.471 ( 0.000 -7.105 -0.000) 7.105 12.695 ( 0.000 6.381 -0.000) 6.381 12.814 ( 0.000 -5.732 0.000) 5.732 13.053 ( -0.000 -5.326 0.000) 5.326 13.071 ( 0.000 -4.613 -0.000) 4.613 13.424 ( 0.000 3.663 -0.000) 3.663 13.542 ( 0.000 -6.747 -0.000) 6.747 13.650 ( 0.000 2.852 -0.000) 2.852 13.773 ( 0.000 -9.669 -0.000) 9.669 13.969 ( 0.000 2.236 0.000) 2.236 14.017 ( 0.000 -1.902 0.000) 1.902 14.764 ( 0.000 5.651 0.000) 5.651 14.800 ( -0.000 0.090 -0.000) 0.090 14.816 ( 0.000 -1.560 -0.000) 1.560 14.885 ( -0.000 -6.298 0.000) 6.298 15.991 ( 0.000 1.683 -0.000) 1.683 16.045 ( 0.000 -3.237 0.000) 3.237 17.161 ( 0.000 11.702 0.000) 11.702 17.251 ( 0.000 3.934 0.000) 3.934 17.673 ( 0.000 8.488 0.000) 8.488 17.818 ( 0.000 9.933 0.000) 9.933 17.857 ( -0.000 -8.546 -0.000) 8.546 18.022 ( 0.000 -11.627 -0.000) 11.627 18.464 ( 0.000 7.268 0.000) 7.268 18.640 ( 0.000 -4.472 0.000) 4.472 19.025 ( 0.000 4.815 -0.000) 4.815 19.232 ( 0.000 -11.125 -0.000) 11.125 19.986 ( 0.000 10.327 0.000) 10.327 20.004 ( -0.000 2.506 -0.000) 2.506 20.118 ( 0.000 0.060 0.000) 0.060 20.268 ( 0.000 -9.113 -0.000) 9.113 20.275 ( 0.000 8.649 0.000) 8.649 20.406 ( 0.000 -3.007 -0.000) 3.007 20.507 ( 0.000 9.086 -0.000) 9.086 20.717 ( 0.000 -9.570 -0.000) 9.570 21.354 ( 0.000 12.975 -0.000) 12.975 21.390 ( -0.000 12.491 0.000) 12.491 21.548 ( 0.000 -4.455 0.000) 4.455 21.639 ( 0.000 -6.721 0.000) 6.721 21.871 ( 0.000 -4.926 -0.000) 4.926 21.959 ( 0.000 -7.962 0.000) 7.962 22.094 ( 0.000 5.692 -0.000) 5.692 22.311 ( 0.000 -12.132 0.000) 12.132 27.056 ( 0.000 5.652 0.000) 5.652 27.192 ( 0.000 -6.752 0.000) 6.752 27.236 ( 0.000 6.566 0.000) 6.566 27.331 ( 0.000 -3.340 -0.000) 3.340 27.764 ( 0.000 2.587 0.000) 2.587 27.804 ( 0.000 -1.084 -0.000) 1.084 27.959 ( 0.000 4.823 -0.000) 4.823 27.996 ( 0.000 2.970 -0.000) 2.970 28.183 ( 0.000 0.911 -0.000) 0.911 28.270 ( 0.000 -5.141 0.000) 5.141 28.514 ( 0.000 1.653 0.000) 1.653 28.523 ( 0.000 0.563 -0.000) 0.563 28.635 ( 0.000 4.721 -0.000) 4.721 28.706 ( -0.000 3.561 -0.000) 3.561 28.729 ( 0.000 -3.441 0.000) 3.441 28.791 ( 0.000 -4.728 -0.000) 4.728 29.120 ( 0.000 4.629 0.000) 4.629 29.166 ( 0.000 3.584 0.000) 3.584 29.250 ( 0.000 -0.963 -0.000) 0.963 29.253 ( -0.000 -3.977 0.000) 3.977 29.606 ( 0.000 2.960 -0.000) 2.960 29.676 ( 0.000 -2.910 0.000) 2.910 30.143 ( 0.000 1.625 -0.000) 1.625 30.190 ( 0.000 -2.301 -0.000) 2.301 30.458 ( 0.000 3.898 0.000) 3.898 30.533 ( -0.000 -4.469 0.000) 4.469 30.548 ( 0.000 2.687 -0.000) 2.687 30.655 ( 0.000 -5.792 -0.000) 5.792 31.720 ( 0.000 4.142 0.000) 4.142 31.818 ( 0.000 -4.967 0.000) 4.967 32.615 ( 0.000 -0.811 0.000) 0.811 32.646 ( 0.000 -3.739 -0.000) 3.739 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -5.737 0.000 25.260) 25.903 0.755 ( -3.707 0.000 33.055) 33.262 1.069 ( 2.453 0.000 44.376) 44.444 1.974 ( 0.692 0.000 3.108) 3.184 2.071 ( 0.744 0.000 9.779) 9.808 2.093 ( -1.122 0.000 -12.707) 12.757 2.176 ( -0.499 0.000 14.548) 14.556 2.196 ( 1.133 0.000 0.812) 1.394 2.245 ( 0.479 0.000 -3.703) 3.734 2.610 ( -2.048 0.000 0.381) 2.083 2.629 ( -1.558 0.000 -4.622) 4.877 2.700 ( -0.063 0.000 3.270) 3.270 2.781 ( 1.754 0.000 -1.188) 2.119 2.917 ( -3.948 0.000 -4.586) 6.051 3.198 ( -4.706 0.000 -2.710) 5.431 3.227 ( 0.804 0.000 3.324) 3.420 3.334 ( 6.777 0.000 -5.806) 8.924 3.572 ( 7.678 0.000 -14.012) 15.978 3.587 ( 6.411 0.000 3.450) 7.281 3.612 ( -0.975 0.000 -6.524) 6.597 3.700 ( -3.736 0.000 1.206) 3.926 3.771 ( -3.735 0.000 -10.608) 11.246 3.780 ( 0.868 0.000 -2.361) 2.515 3.801 ( -0.362 0.000 -10.131) 10.138 4.047 ( -1.053 0.000 -11.066) 11.116 4.379 ( 1.003 0.000 -7.345) 7.413 4.398 ( -2.094 0.000 6.153) 6.500 4.730 ( 5.993 0.000 0.301) 6.001 4.794 ( 3.358 0.000 4.136) 5.327 4.848 ( -8.643 0.000 14.131) 16.565 4.946 ( 6.286 0.000 10.213) 11.992 4.988 ( 1.617 0.000 6.158) 6.367 5.037 ( -7.027 0.000 5.380) 8.850 5.272 ( -2.899 0.000 -4.427) 5.292 5.459 ( 1.849 0.000 15.967) 16.073 5.530 ( 5.136 0.000 -5.646) 7.632 5.989 ( -9.801 0.000 -2.976) 10.243 6.017 ( -2.298 0.000 -15.511) 15.680 6.142 ( -5.660 0.000 4.507) 7.236 6.149 ( 9.956 0.000 8.550) 13.123 6.280 ( -3.797 0.000 -5.895) 7.012 6.399 ( -12.247 0.000 -1.873) 12.390 6.535 ( 0.577 0.000 -3.692) 3.737 6.536 ( 12.295 0.000 -3.430) 12.765 6.724 ( 6.641 0.000 -2.114) 6.970 7.039 ( 9.208 0.000 2.582) 9.563 7.075 ( -17.621 0.000 7.007) 18.963 7.215 ( 5.125 0.000 9.750) 11.015 7.239 ( -0.767 0.000 4.466) 4.531 7.426 ( -6.097 0.000 3.474) 7.017 7.704 ( -3.524 0.000 -3.612) 5.047 7.825 ( 6.193 0.000 2.216) 6.578 8.003 ( 5.167 0.000 -11.400) 12.517 8.208 ( -1.480 0.000 7.409) 7.555 8.351 ( -3.806 0.000 -2.507) 4.558 8.360 ( 2.405 0.000 -11.639) 11.885 8.484 ( 4.608 0.000 -7.572) 8.864 8.700 ( 6.098 0.000 4.126) 7.363 9.095 ( 2.776 0.000 -3.823) 4.725 9.211 ( -7.978 0.000 4.041) 8.943 9.474 ( -7.298 0.000 13.831) 15.638 9.646 ( -0.269 0.000 -4.197) 4.206 9.802 ( 0.190 0.000 0.001) 0.190 9.975 ( 2.343 0.000 0.881) 2.503 10.253 ( -0.659 0.000 4.298) 4.349 10.268 ( 1.143 0.000 -8.756) 8.831 10.339 ( -2.981 0.000 6.277) 6.949 10.463 ( 0.108 0.000 -3.299) 3.300 10.525 ( 6.944 0.000 1.555) 7.116 10.726 ( -5.841 0.000 -0.970) 5.921 10.790 ( 6.021 0.000 -4.398) 7.456 10.983 ( 2.883 0.000 -0.267) 2.895 11.029 ( -2.390 0.000 -14.037) 14.239 11.155 ( 3.054 0.000 -4.142) 5.146 11.426 ( -2.311 0.000 6.643) 7.033 11.555 ( 3.150 0.000 8.074) 8.667 11.667 ( 2.853 0.000 10.101) 10.496 12.079 ( -1.315 0.000 -0.439) 1.387 12.168 ( 0.875 0.000 -0.533) 1.025 12.436 ( 1.196 0.000 -1.619) 2.012 12.503 ( -8.875 0.000 -9.022) 12.655 12.680 ( 13.438 0.000 -3.108) 13.793 13.069 ( -8.630 0.000 -3.600) 9.351 13.101 ( -2.013 0.000 -4.994) 5.385 13.125 ( 1.165 0.000 3.618) 3.801 13.262 ( 2.579 0.000 2.207) 3.395 13.354 ( 1.114 0.000 0.856) 1.405 13.545 ( -10.360 0.000 0.109) 10.361 13.651 ( 1.872 0.000 -4.255) 4.649 13.671 ( -0.702 0.000 2.349) 2.452 13.985 ( -3.799 0.000 3.049) 4.871 14.265 ( 3.264 0.000 -1.135) 3.456 14.656 ( 4.086 0.000 -5.267) 6.666 14.701 ( -2.391 0.000 -6.588) 7.009 15.173 ( -4.272 0.000 16.781) 17.317 15.722 ( 6.335 0.000 14.609) 15.923 16.229 ( 0.355 0.000 0.810) 0.884 16.525 ( 0.149 0.000 -11.517) 11.518 16.600 ( -4.458 0.000 -18.050) 18.592 16.798 ( 0.116 0.000 5.005) 5.006 17.091 ( -1.799 0.000 -17.031) 17.125 17.363 ( 8.952 0.000 13.919) 16.549 17.499 ( -18.362 0.000 6.310) 19.416 17.970 ( 10.026 0.000 0.658) 10.048 18.449 ( -4.596 0.000 -9.080) 10.177 18.676 ( 3.679 0.000 2.522) 4.460 19.032 ( -0.754 0.000 10.205) 10.232 19.523 ( 2.393 0.000 10.051) 10.332 19.648 ( 0.301 0.000 -9.319) 9.324 19.914 ( -5.342 0.000 -1.773) 5.629 20.050 ( -2.428 0.000 1.854) 3.055 20.207 ( -4.087 0.000 -5.355) 6.736 20.278 ( 1.245 0.000 -1.460) 1.918 20.457 ( 8.287 0.000 -5.777) 10.102 20.833 ( 9.822 0.000 11.022) 14.763 20.955 ( -0.359 0.000 5.928) 5.938 21.109 ( 1.071 0.000 8.195) 8.265 21.111 ( 0.394 0.000 -2.320) 2.353 21.236 ( -2.062 0.000 -0.503) 2.122 21.240 ( 1.313 0.000 6.356) 6.490 21.626 ( -0.952 0.000 -4.858) 4.950 22.024 ( 0.154 0.000 -7.487) 7.489 22.806 ( 1.878 0.000 4.633) 4.999 23.233 ( -0.047 0.000 -4.777) 4.777 26.912 ( -0.024 0.000 -0.384) 0.385 26.941 ( 0.227 0.000 -1.148) 1.171 27.335 ( -0.948 0.000 1.536) 1.805 27.480 ( 8.421 0.000 -1.185) 8.504 27.648 ( -0.127 0.000 0.932) 0.940 27.679 ( -0.476 0.000 -0.039) 0.478 27.892 ( 1.422 0.000 3.200) 3.502 27.928 ( 1.040 0.000 1.882) 2.150 28.259 ( -4.949 0.000 -2.246) 5.435 28.304 ( 0.753 0.000 -2.484) 2.596 28.455 ( -6.002 0.000 5.954) 8.454 28.638 ( -8.042 0.000 1.090) 8.116 28.850 ( 2.022 0.000 -3.361) 3.922 28.900 ( -0.254 0.000 3.167) 3.178 28.908 ( 0.254 0.000 -0.110) 0.276 28.990 ( -2.876 0.000 -3.828) 4.788 29.034 ( 6.064 0.000 -3.392) 6.948 29.094 ( -3.371 0.000 -2.519) 4.208 29.143 ( 2.829 0.000 2.824) 3.998 29.201 ( -0.027 0.000 2.432) 2.432 29.428 ( -23.575 0.000 1.271) 23.610 29.651 ( -9.359 0.000 8.733) 12.800 30.005 ( 5.358 0.000 -7.926) 9.567 30.193 ( -1.782 0.000 -2.295) 2.906 30.429 ( -2.566 0.000 -7.676) 8.094 30.496 ( 1.463 0.000 -1.991) 2.471 30.999 ( 1.216 0.000 13.579) 13.634 31.627 ( -3.436 0.000 1.677) 3.824 31.666 ( 59.396 0.000 -4.780) 59.588 31.811 ( 1.367 0.000 2.037) 2.453 31.869 ( -31.617 0.000 -3.938) 31.862 32.082 ( -2.385 0.000 -3.305) 4.076 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 26.674 0.000 7.689) 27.760 0.954 ( 20.822 0.000 21.600) 30.002 1.574 ( 37.833 0.000 28.772) 47.530 1.960 ( -1.920 0.000 -2.260) 2.965 2.034 ( -6.364 0.000 13.204) 14.657 2.076 ( 0.561 0.000 -5.057) 5.088 2.168 ( 0.872 0.000 1.819) 2.018 2.216 ( -3.111 0.000 -4.446) 5.427 2.247 ( 5.089 0.000 6.487) 8.245 2.543 ( -5.827 0.000 -1.925) 6.136 2.547 ( -4.512 0.000 0.573) 4.548 2.676 ( -1.329 0.000 2.989) 3.271 2.766 ( -2.842 0.000 1.137) 3.061 2.844 ( -4.101 0.000 -9.702) 10.533 3.166 ( 1.142 0.000 3.547) 3.726 3.193 ( -4.553 0.000 3.311) 5.629 3.301 ( -7.239 0.000 -1.055) 7.316 3.503 ( -14.019 0.000 -14.078) 19.867 3.538 ( -5.671 0.000 -5.747) 8.074 3.665 ( -1.438 0.000 -1.980) 2.447 3.669 ( -3.824 0.000 -6.483) 7.527 3.754 ( 5.026 0.000 4.421) 6.693 3.822 ( 3.775 0.000 -3.065) 4.862 3.868 ( 10.673 0.000 -5.291) 11.912 4.045 ( -0.568 0.000 -11.984) 11.998 4.357 ( -3.173 0.000 7.850) 8.467 4.456 ( -4.991 0.000 4.721) 6.870 4.628 ( -1.617 0.000 0.387) 1.662 4.817 ( -9.100 0.000 11.763) 14.872 4.860 ( 6.268 0.000 -3.692) 7.274 4.936 ( 6.324 0.000 -8.843) 10.872 5.026 ( 0.197 0.000 8.010) 8.013 5.077 ( 4.890 0.000 8.551) 9.850 5.214 ( -3.334 0.000 -6.952) 7.710 5.441 ( -6.600 0.000 -2.015) 6.901 5.442 ( -6.147 0.000 11.665) 13.185 5.746 ( -14.426 0.000 4.224) 15.031 5.868 ( -9.777 0.000 0.603) 9.796 5.997 ( -0.675 0.000 -9.505) 9.529 6.170 ( -6.959 0.000 -0.742) 6.999 6.279 ( -2.854 0.000 -3.799) 4.751 6.501 ( 13.392 0.000 -2.178) 13.568 6.542 ( 1.523 0.000 2.429) 2.867 6.679 ( -13.665 0.000 -0.445) 13.672 6.751 ( -1.368 0.000 0.061) 1.369 6.815 ( 17.027 0.000 0.579) 17.037 7.109 ( -16.889 0.000 1.539) 16.959 7.240 ( 8.570 0.000 2.443) 8.911 7.466 ( 13.183 0.000 -8.827) 15.865 7.539 ( -15.378 0.000 6.543) 16.712 7.616 ( 16.681 0.000 6.698) 17.976 7.641 ( 2.389 0.000 -1.198) 2.672 8.069 ( -8.459 0.000 10.827) 13.740 8.171 ( 8.601 0.000 -4.261) 9.599 8.365 ( 6.695 0.000 -3.654) 7.627 8.463 ( -5.639 0.000 -6.704) 8.760 8.754 ( 20.832 0.000 -5.320) 21.501 8.831 ( 6.963 0.000 4.795) 8.455 9.051 ( -7.216 0.000 3.081) 7.847 9.140 ( 1.342 0.000 -1.845) 2.281 9.339 ( -6.182 0.000 10.795) 12.440 9.751 ( -3.952 0.000 0.711) 4.016 9.784 ( 13.460 0.000 -6.822) 15.090 10.028 ( 2.143 0.000 -3.426) 4.041 10.100 ( -9.623 0.000 6.037) 11.360 10.261 ( -2.013 0.000 -7.963) 8.214 10.364 ( 2.673 0.000 11.396) 11.705 10.398 ( -4.833 0.000 -2.634) 5.504 10.656 ( -0.688 0.000 -5.666) 5.708 10.796 ( 16.545 0.000 2.556) 16.741 10.922 ( 1.206 0.000 -4.466) 4.626 10.996 ( 4.708 0.000 -9.806) 10.877 11.007 ( -0.402 0.000 1.635) 1.684 11.261 ( 3.365 0.000 -8.802) 9.424 11.382 ( -1.904 0.000 4.887) 5.245 11.587 ( 1.627 0.000 8.769) 8.919 11.719 ( 1.667 0.000 6.008) 6.235 12.074 ( -9.240 0.000 0.456) 9.251 12.215 ( 6.422 0.000 -6.708) 9.287 12.301 ( -10.047 0.000 -8.305) 13.035 12.525 ( 7.371 0.000 -11.380) 13.559 12.763 ( -8.509 0.000 0.660) 8.535 12.819 ( -13.129 0.000 2.885) 13.442 13.066 ( -4.973 0.000 -1.566) 5.213 13.140 ( -0.531 0.000 2.346) 2.406 13.323 ( 5.689 0.000 -3.495) 6.677 13.422 ( 12.015 0.000 4.040) 12.676 13.491 ( 2.202 0.000 -3.421) 4.069 13.673 ( 0.421 0.000 4.027) 4.049 13.753 ( 6.858 0.000 -5.027) 8.503 13.914 ( -4.242 0.000 2.315) 4.833 14.334 ( 2.769 0.000 -0.757) 2.870 14.639 ( -2.642 0.000 -4.895) 5.562 14.726 ( 3.168 0.000 -5.380) 6.243 14.963 ( -13.865 0.000 15.932) 21.120 15.644 ( -12.401 0.000 11.496) 16.910 16.233 ( -2.696 0.000 1.898) 3.297 16.542 ( 0.480 0.000 -9.081) 9.094 16.628 ( 4.795 0.000 -12.041) 12.960 16.750 ( -4.749 0.000 5.014) 6.906 16.955 ( 4.308 0.000 7.587) 8.725 17.213 ( -7.867 0.000 2.047) 8.129 17.604 ( 13.577 0.000 10.696) 17.284 18.218 ( 15.020 0.000 1.287) 15.075 18.390 ( -5.017 0.000 -7.505) 9.027 18.777 ( 10.483 0.000 0.786) 10.512 19.037 ( 0.829 0.000 10.239) 10.272 19.521 ( -3.349 0.000 12.270) 12.719 19.632 ( -2.456 0.000 -8.741) 9.079 19.933 ( -2.079 0.000 -10.350) 10.557 20.024 ( -0.248 0.000 0.565) 0.617 20.145 ( 0.122 0.000 -4.970) 4.971 20.275 ( -1.411 0.000 -0.998) 1.728 20.550 ( -0.359 0.000 -1.438) 1.482 20.904 ( -5.765 0.000 3.150) 6.570 20.988 ( -1.509 0.000 10.839) 10.944 21.059 ( -5.262 0.000 -1.532) 5.481 21.136 ( 0.367 0.000 3.619) 3.638 21.243 ( 3.162 0.000 -2.186) 3.844 21.477 ( 26.126 0.000 -5.592) 26.718 21.653 ( 3.825 0.000 -6.426) 7.478 21.972 ( -5.198 0.000 -6.215) 8.102 22.746 ( -7.804 0.000 4.994) 9.265 23.073 ( -14.132 0.000 -4.745) 14.908 26.910 ( -0.176 0.000 -0.447) 0.481 26.938 ( -0.398 0.000 -1.068) 1.140 27.349 ( 2.364 0.000 0.616) 2.443 27.583 ( -1.913 0.000 2.143) 2.872 27.669 ( 2.428 0.000 0.315) 2.449 27.674 ( 0.037 0.000 -0.214) 0.218 27.890 ( -3.065 0.000 6.776) 7.437 27.943 ( 0.387 0.000 2.214) 2.248 28.056 ( -4.850 0.000 1.494) 5.075 28.320 ( -1.481 0.000 0.840) 1.703 28.331 ( 1.921 0.000 -1.350) 2.348 28.540 ( -2.690 0.000 6.516) 7.050 28.742 ( -10.584 0.000 -2.110) 10.793 28.864 ( -7.770 0.000 -3.447) 8.500 28.899 ( 0.244 0.000 3.672) 3.680 28.910 ( 0.493 0.000 -0.912) 1.037 29.059 ( -4.371 0.000 7.876) 9.007 29.101 ( 0.359 0.000 -0.109) 0.376 29.142 ( 5.183 0.000 -0.327) 5.194 29.217 ( 3.844 0.000 -0.669) 3.902 29.305 ( 5.381 0.000 -2.245) 5.831 29.676 ( 3.860 0.000 8.545) 9.376 30.152 ( 4.975 0.000 -7.683) 9.153 30.154 ( 1.122 0.000 -1.538) 1.904 30.376 ( -2.350 0.000 -5.083) 5.600 30.442 ( -5.270 0.000 -0.841) 5.337 30.959 ( -4.737 0.000 7.818) 9.141 31.259 ( -19.259 0.000 10.545) 21.957 31.609 ( 1.638 0.000 2.713) 3.170 31.877 ( 4.619 0.000 3.324) 5.691 32.145 ( 8.220 0.000 -6.155) 10.269 32.638 ( 23.029 0.000 -26.973) 35.467 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 23.967 0.000 3.228) 24.184 1.430 ( 25.364 0.000 7.316) 26.398 1.826 ( -12.255 0.000 10.665) 16.245 1.938 ( 1.056 0.000 -6.950) 7.030 2.106 ( -2.376 0.000 -0.243) 2.388 2.150 ( 8.858 0.000 6.533) 11.006 2.163 ( 3.076 0.000 -2.227) 3.798 2.286 ( 5.647 0.000 5.974) 8.221 2.357 ( -13.174 0.000 -0.561) 13.186 2.465 ( 5.571 0.000 11.045) 12.371 2.497 ( 20.899 0.000 -2.579) 21.058 2.587 ( -8.492 0.000 -1.641) 8.649 2.675 ( -7.167 0.000 1.445) 7.311 2.828 ( 6.147 0.000 -9.111) 10.990 3.060 ( -7.632 0.000 2.703) 8.096 3.143 ( -6.866 0.000 -1.622) 7.055 3.152 ( -17.956 0.000 -1.628) 18.030 3.250 ( 5.724 0.000 4.092) 7.036 3.502 ( 0.112 0.000 -6.655) 6.656 3.613 ( -2.897 0.000 1.944) 3.488 3.622 ( 0.795 0.000 -0.414) 0.896 3.912 ( 6.449 0.000 11.031) 12.778 3.914 ( 3.812 0.000 1.186) 3.992 3.966 ( -5.956 0.000 -6.162) 8.570 4.041 ( 9.319 0.000 -4.968) 10.560 4.231 ( -8.800 0.000 6.699) 11.060 4.284 ( -3.041 0.000 5.396) 6.194 4.592 ( -11.205 0.000 10.715) 15.504 4.682 ( -5.337 0.000 -5.124) 7.398 4.879 ( -22.601 0.000 -4.206) 22.989 4.930 ( 0.651 0.000 -5.824) 5.860 5.009 ( 3.228 0.000 0.635) 3.290 5.129 ( -5.127 0.000 -8.986) 10.346 5.197 ( 15.330 0.000 -8.935) 17.744 5.412 ( 6.306 0.000 9.472) 11.379 5.442 ( 0.633 0.000 -2.009) 2.107 5.523 ( -1.506 0.000 8.531) 8.663 5.759 ( -4.456 0.000 1.770) 4.795 5.983 ( -8.625 0.000 -5.281) 10.113 6.007 ( -9.076 0.000 3.709) 9.804 6.143 ( -2.775 0.000 3.312) 4.321 6.500 ( -5.574 0.000 -5.852) 8.082 6.640 ( 7.173 0.000 7.089) 10.085 6.671 ( 6.067 0.000 -4.595) 7.611 6.679 ( -7.008 0.000 -11.482) 13.451 6.842 ( -6.126 0.000 7.198) 9.452 7.210 ( 8.686 0.000 -2.808) 9.129 7.267 ( -10.351 0.000 10.525) 14.762 7.272 ( 6.513 0.000 -7.487) 9.923 7.680 ( 13.429 0.000 -13.974) 19.381 7.838 ( 9.439 0.000 4.699) 10.544 7.899 ( -1.588 0.000 9.573) 9.704 7.991 ( 9.324 0.000 5.472) 10.811 8.247 ( -1.549 0.000 -0.289) 1.576 8.289 ( -8.661 0.000 -5.083) 10.042 8.617 ( 17.570 0.000 -5.012) 18.271 8.917 ( -4.332 0.000 2.388) 4.946 8.953 ( 3.514 0.000 2.529) 4.329 9.020 ( 4.010 0.000 3.216) 5.140 9.143 ( -0.118 0.000 1.777) 1.781 9.242 ( -4.032 0.000 7.409) 8.435 9.705 ( -0.094 0.000 -1.412) 1.415 9.910 ( -6.470 0.000 8.512) 10.692 10.049 ( -2.195 0.000 -2.560) 3.372 10.052 ( 10.108 0.000 -10.424) 14.520 10.227 ( -2.154 0.000 -3.793) 4.362 10.395 ( -1.303 0.000 16.380) 16.431 10.404 ( 8.675 0.000 -6.766) 11.001 10.694 ( 4.160 0.000 -10.882) 11.649 10.839 ( -4.882 0.000 -6.015) 7.747 10.952 ( -3.268 0.000 1.317) 3.524 11.088 ( 9.861 0.000 2.137) 10.090 11.172 ( 1.543 0.000 0.251) 1.563 11.234 ( 2.290 0.000 -9.166) 9.448 11.364 ( 0.296 0.000 4.006) 4.017 11.645 ( 1.817 0.000 2.058) 2.745 11.735 ( 0.518 0.000 5.820) 5.843 11.905 ( -5.960 0.000 0.836) 6.018 12.180 ( -0.218 0.000 -7.191) 7.194 12.269 ( 0.874 0.000 -4.025) 4.119 12.501 ( -14.745 0.000 0.471) 14.753 12.598 ( -7.549 0.000 -4.905) 9.002 12.660 ( 4.332 0.000 -6.025) 7.421 12.862 ( -12.699 0.000 1.682) 12.810 13.132 ( 0.278 0.000 1.687) 1.710 13.441 ( 0.595 0.000 -0.483) 0.767 13.593 ( 2.722 0.000 7.040) 7.548 13.667 ( 15.887 0.000 -6.087) 17.013 13.674 ( -1.095 0.000 7.856) 7.932 13.836 ( -1.044 0.000 0.343) 1.099 13.884 ( 6.237 0.000 -6.002) 8.656 14.314 ( -5.206 0.000 -2.300) 5.692 14.669 ( 6.429 0.000 -2.525) 6.907 14.702 ( -9.049 0.000 10.420) 13.801 14.811 ( 2.539 0.000 -0.878) 2.686 15.351 ( -16.291 0.000 5.549) 17.210 16.207 ( 1.681 0.000 2.343) 2.884 16.548 ( 1.541 0.000 -5.715) 5.919 16.605 ( -7.084 0.000 -0.873) 7.137 16.606 ( -8.931 0.000 1.561) 9.067 17.254 ( 20.095 0.000 7.094) 21.311 17.260 ( 9.848 0.000 -1.249) 9.927 17.841 ( 9.168 0.000 1.705) 9.325 18.238 ( -10.228 0.000 -3.784) 10.905 18.528 ( 15.717 0.000 4.220) 16.274 19.039 ( 14.694 0.000 -1.071) 14.733 19.044 ( -0.787 0.000 10.176) 10.207 19.389 ( -9.558 0.000 8.873) 13.042 19.545 ( -7.101 0.000 -5.504) 8.985 19.806 ( -6.743 0.000 -15.134) 16.568 20.010 ( -1.848 0.000 2.480) 3.093 20.205 ( 3.933 0.000 -3.164) 5.048 20.260 ( 0.849 0.000 -0.926) 1.256 20.472 ( -5.498 0.000 1.775) 5.777 20.846 ( 0.549 0.000 4.719) 4.751 20.946 ( -5.368 0.000 -0.020) 5.368 20.959 ( -1.767 0.000 10.347) 10.497 21.095 ( -3.040 0.000 5.753) 6.507 21.360 ( 8.734 0.000 -2.569) 9.104 21.752 ( 1.653 0.000 -7.281) 7.466 21.862 ( -1.052 0.000 -4.328) 4.454 21.963 ( 21.936 0.000 -7.530) 23.193 22.525 ( -14.094 0.000 3.583) 14.542 22.747 ( -18.374 0.000 -7.424) 19.817 26.907 ( -0.136 0.000 -0.501) 0.519 26.931 ( -0.222 0.000 -1.412) 1.429 27.418 ( 4.189 0.000 0.191) 4.194 27.477 ( -5.670 0.000 8.069) 9.862 27.680 ( 0.481 0.000 -0.176) 0.512 27.719 ( 2.265 0.000 -0.179) 2.272 27.847 ( -1.435 0.000 4.057) 4.304 27.938 ( -0.990 0.000 2.126) 2.345 28.111 ( 5.861 0.000 -3.560) 6.857 28.336 ( 2.201 0.000 -1.235) 2.523 28.376 ( 2.562 0.000 -0.217) 2.571 28.502 ( -1.015 0.000 2.909) 3.081 28.540 ( -8.936 0.000 -2.962) 9.414 28.705 ( -7.319 0.000 -2.426) 7.711 28.877 ( -2.867 0.000 3.893) 4.835 28.941 ( 1.756 0.000 -0.196) 1.767 29.033 ( 0.637 0.000 6.287) 6.319 29.107 ( 0.348 0.000 3.148) 3.167 29.201 ( 1.444 0.000 -1.625) 2.174 29.308 ( 4.646 0.000 -0.500) 4.673 29.416 ( 4.915 0.000 -3.570) 6.075 29.762 ( 4.974 0.000 8.347) 9.717 30.093 ( -3.638 0.000 -7.176) 8.045 30.268 ( 2.033 0.000 -0.334) 2.060 30.335 ( -4.959 0.000 -0.162) 4.962 30.377 ( 3.394 0.000 -6.033) 6.922 30.860 ( -4.576 0.000 3.229) 5.600 30.980 ( -11.151 0.000 6.598) 12.957 31.659 ( 2.739 0.000 5.218) 5.893 31.966 ( 3.931 0.000 4.732) 6.152 32.350 ( 11.655 0.000 -9.479) 15.023 32.803 ( -1.089 0.000 -15.275) 15.314 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -14.223 0.000 6.018) 15.444 1.660 ( 11.285 0.000 11.551) 16.149 1.815 ( 9.697 0.000 -8.664) 13.004 1.954 ( -6.746 0.000 -6.015) 9.038 2.060 ( -13.751 0.000 4.377) 14.431 2.103 ( 11.566 0.000 0.820) 11.595 2.256 ( 1.117 0.000 -0.264) 1.148 2.321 ( 6.628 0.000 2.488) 7.080 2.337 ( 3.364 0.000 -3.248) 4.676 2.382 ( -4.966 0.000 4.282) 6.558 2.445 ( -0.850 0.000 5.946) 6.006 2.474 ( -7.403 0.000 1.430) 7.540 2.892 ( -5.703 0.000 5.889) 8.198 2.931 ( -0.138 0.000 -5.728) 5.730 2.967 ( 2.624 0.000 -7.598) 8.038 3.027 ( 3.237 0.000 2.606) 4.156 3.143 ( 0.879 0.000 -0.501) 1.012 3.236 ( 3.657 0.000 -0.722) 3.728 3.512 ( 1.217 0.000 -3.348) 3.562 3.661 ( 0.885 0.000 -0.601) 1.070 3.694 ( 10.536 0.000 13.625) 17.223 3.771 ( -15.139 0.000 8.397) 17.312 3.906 ( 2.511 0.000 -5.348) 5.908 3.960 ( 0.177 0.000 0.580) 0.607 4.142 ( -6.254 0.000 1.858) 6.524 4.297 ( 12.456 0.000 6.075) 13.858 4.322 ( -0.182 0.000 5.031) 5.034 4.420 ( -3.442 0.000 0.874) 3.551 4.512 ( -1.565 0.000 2.932) 3.323 4.525 ( -2.351 0.000 4.389) 4.979 4.916 ( -0.890 0.000 -9.149) 9.192 5.038 ( -3.846 0.000 -9.519) 10.266 5.120 ( 4.992 0.000 -6.746) 8.393 5.370 ( -3.804 0.000 -1.947) 4.273 5.421 ( -12.539 0.000 -11.294) 16.875 5.453 ( 4.423 0.000 -2.944) 5.313 5.684 ( 10.591 0.000 6.296) 12.321 5.715 ( 8.505 0.000 7.244) 11.172 5.833 ( 2.534 0.000 3.424) 4.259 5.847 ( -6.332 0.000 9.928) 11.775 6.193 ( 2.495 0.000 1.176) 2.758 6.422 ( -2.921 0.000 -9.359) 9.804 6.532 ( -6.486 0.000 -4.539) 7.917 6.718 ( 0.542 0.000 5.341) 5.368 6.769 ( 3.684 0.000 -4.972) 6.188 6.846 ( 2.618 0.000 5.731) 6.301 7.144 ( -1.823 0.000 8.360) 8.556 7.153 ( -1.875 0.000 -8.320) 8.528 7.496 ( 5.182 0.000 -8.954) 10.345 7.793 ( -4.148 0.000 2.575) 4.882 7.904 ( 0.697 0.000 1.870) 1.995 7.978 ( 11.067 0.000 -9.095) 14.325 8.089 ( -12.881 0.000 0.857) 12.910 8.124 ( -2.450 0.000 4.854) 5.437 8.204 ( 1.654 0.000 -0.931) 1.898 8.879 ( -7.037 0.000 -0.703) 7.072 8.915 ( 5.566 0.000 6.502) 8.559 8.992 ( 13.602 0.000 3.196) 13.973 8.998 ( -4.300 0.000 3.023) 5.257 9.063 ( -6.221 0.000 -4.001) 7.397 9.244 ( 1.900 0.000 3.666) 4.129 9.720 ( 2.848 0.000 3.503) 4.515 9.916 ( -3.582 0.000 4.543) 5.786 9.944 ( -0.659 0.000 5.470) 5.510 10.131 ( -2.015 0.000 -10.533) 10.724 10.255 ( 6.356 0.000 -4.648) 7.874 10.329 ( -1.177 0.000 14.268) 14.316 10.503 ( -3.855 0.000 -4.600) 6.002 10.687 ( -1.201 0.000 -15.714) 15.760 10.886 ( -3.485 0.000 0.149) 3.489 10.934 ( 2.787 0.000 -0.860) 2.917 11.023 ( -0.053 0.000 -7.312) 7.312 11.128 ( -5.852 0.000 -2.511) 6.368 11.389 ( 4.180 0.000 0.921) 4.280 11.403 ( 3.116 0.000 5.599) 6.408 11.617 ( -1.308 0.000 -3.270) 3.522 11.753 ( -0.395 0.000 6.667) 6.679 11.872 ( 1.540 0.000 1.061) 1.870 12.224 ( -2.205 0.000 -0.678) 2.307 12.255 ( -3.060 0.000 -8.477) 9.012 12.395 ( 11.840 0.000 -4.488) 12.661 12.468 ( -3.987 0.000 -0.174) 3.991 12.637 ( -9.181 0.000 2.520) 9.521 12.781 ( 7.708 0.000 -5.247) 9.324 13.157 ( 1.905 0.000 2.863) 3.439 13.411 ( -2.830 0.000 -2.443) 3.739 13.525 ( -7.795 0.000 3.463) 8.530 13.628 ( -1.753 0.000 5.761) 6.022 13.909 ( 5.740 0.000 5.924) 8.249 13.934 ( 7.652 0.000 -2.286) 7.986 13.979 ( 3.210 0.000 -4.094) 5.202 14.188 ( -4.655 0.000 -2.971) 5.522 14.564 ( -4.477 0.000 6.445) 7.848 14.841 ( 7.719 0.000 -2.862) 8.232 14.888 ( 4.703 0.000 3.510) 5.868 15.060 ( -10.394 0.000 2.331) 10.653 16.256 ( -0.171 0.000 0.674) 0.695 16.466 ( -5.681 0.000 -2.400) 6.167 16.472 ( -1.034 0.000 0.858) 1.343 16.622 ( 5.999 0.000 -0.590) 6.028 17.429 ( 4.985 0.000 3.413) 6.041 17.552 ( 4.312 0.000 6.304) 7.638 17.921 ( -0.973 0.000 -8.058) 8.117 18.051 ( -4.119 0.000 -3.792) 5.599 18.709 ( -4.166 0.000 14.793) 15.369 19.010 ( 0.698 0.000 6.080) 6.120 19.226 ( -3.836 0.000 -0.925) 3.946 19.245 ( -1.901 0.000 1.565) 2.462 19.416 ( 2.282 0.000 -4.507) 5.051 19.772 ( 3.578 0.000 -15.416) 15.826 19.985 ( 0.478 0.000 3.297) 3.331 20.225 ( -2.314 0.000 -3.062) 3.838 20.291 ( 1.172 0.000 0.530) 1.286 20.456 ( 4.920 0.000 3.488) 6.031 20.851 ( -2.185 0.000 8.079) 8.369 20.881 ( -0.626 0.000 0.815) 1.028 20.935 ( 0.027 0.000 3.561) 3.561 21.058 ( -0.023 0.000 9.270) 9.270 21.553 ( 6.886 0.000 -2.522) 7.333 21.624 ( -4.997 0.000 -2.458) 5.569 22.022 ( 7.895 0.000 -5.504) 9.624 22.151 ( -13.078 0.000 -10.353) 16.680 22.258 ( -8.942 0.000 0.654) 8.966 22.547 ( 8.664 0.000 -5.969) 10.521 26.905 ( 0.026 0.000 -0.493) 0.493 26.929 ( -0.022 0.000 -1.738) 1.738 27.394 ( -3.059 0.000 5.383) 6.191 27.483 ( 1.573 0.000 1.069) 1.902 27.690 ( 0.507 0.000 0.037) 0.508 27.745 ( 0.060 0.000 -1.677) 1.678 27.824 ( -0.583 0.000 4.925) 4.960 27.908 ( -1.715 0.000 1.335) 2.174 28.234 ( 6.397 0.000 -0.797) 6.447 28.384 ( 2.688 0.000 0.736) 2.787 28.390 ( -2.823 0.000 -1.814) 3.356 28.465 ( 3.149 0.000 -1.095) 3.334 28.503 ( 0.775 0.000 -0.308) 0.834 28.608 ( -1.844 0.000 -3.598) 4.043 28.807 ( -3.613 0.000 3.417) 4.973 28.971 ( 1.290 0.000 1.118) 1.707 29.065 ( 2.476 0.000 5.357) 5.902 29.107 ( -0.779 0.000 6.047) 6.097 29.215 ( -0.140 0.000 -2.673) 2.677 29.362 ( 0.518 0.000 0.154) 0.541 29.480 ( 1.899 0.000 -2.914) 3.478 29.867 ( 5.629 0.000 9.609) 11.137 30.027 ( -2.667 0.000 -8.434) 8.846 30.262 ( -2.744 0.000 -0.408) 2.774 30.273 ( -0.574 0.000 -0.095) 0.582 30.451 ( 3.009 0.000 -8.020) 8.566 30.804 ( -0.852 0.000 4.700) 4.777 30.808 ( -6.439 0.000 2.220) 6.811 31.697 ( 0.975 0.000 5.913) 5.993 32.011 ( 0.265 0.000 5.730) 5.736 32.552 ( 7.456 0.000 -12.834) 14.842 32.695 ( -7.781 0.000 -9.342) 12.158 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -22.118 0.000 7.108) 23.232 1.553 ( -25.854 0.000 12.592) 28.757 1.866 ( 1.090 0.000 -11.387) 11.439 1.868 ( 8.735 0.000 13.476) 16.060 2.058 ( 4.480 0.000 -4.293) 6.205 2.170 ( -6.177 0.000 2.370) 6.616 2.217 ( -5.369 0.000 1.075) 5.475 2.307 ( -12.028 0.000 10.176) 15.755 2.408 ( 15.961 0.000 0.627) 15.974 2.430 ( -1.677 0.000 1.768) 2.437 2.462 ( -6.222 0.000 -2.025) 6.543 2.604 ( -7.766 0.000 -0.537) 7.785 2.619 ( 7.242 0.000 -1.337) 7.364 2.907 ( 8.606 0.000 -0.456) 8.618 2.911 ( -0.456 0.000 -6.608) 6.624 3.164 ( 8.748 0.000 1.238) 8.836 3.189 ( 6.928 0.000 -1.253) 7.040 3.265 ( -8.204 0.000 3.049) 8.752 3.562 ( 4.052 0.000 -0.937) 4.159 3.652 ( -0.875 0.000 -4.531) 4.615 3.660 ( 1.497 0.000 1.600) 2.192 3.790 ( -5.974 0.000 11.901) 13.316 3.944 ( -3.984 0.000 -3.105) 5.051 3.945 ( -1.556 0.000 -4.508) 4.769 3.987 ( 2.170 0.000 -3.296) 3.946 4.290 ( 6.482 0.000 7.356) 9.804 4.401 ( 0.796 0.000 5.919) 5.972 4.526 ( 11.981 0.000 9.957) 15.578 4.629 ( 2.317 0.000 -0.479) 2.366 4.832 ( 20.237 0.000 -3.572) 20.550 4.935 ( 2.316 0.000 -11.024) 11.265 4.954 ( -2.176 0.000 1.721) 2.775 5.082 ( -14.770 0.000 -5.251) 15.676 5.198 ( 3.290 0.000 -9.681) 10.225 5.331 ( 0.529 0.000 -2.554) 2.608 5.501 ( -1.629 0.000 3.853) 4.184 5.744 ( 0.844 0.000 15.749) 15.772 5.798 ( 5.462 0.000 9.381) 10.855 5.921 ( 9.559 0.000 1.883) 9.742 6.068 ( 6.369 0.000 -4.632) 7.875 6.235 ( 6.406 0.000 -2.599) 6.913 6.370 ( -2.549 0.000 -12.559) 12.815 6.469 ( 0.587 0.000 -4.863) 4.899 6.771 ( -4.900 0.000 6.518) 8.154 6.818 ( 2.339 0.000 0.041) 2.340 6.824 ( 9.936 0.000 -2.997) 10.379 7.151 ( -1.475 0.000 -7.031) 7.184 7.196 ( 4.700 0.000 13.648) 14.434 7.446 ( -10.649 0.000 -5.626) 12.044 7.708 ( -15.041 0.000 -7.608) 16.855 7.816 ( 6.454 0.000 2.269) 6.841 7.885 ( -8.250 0.000 6.516) 10.513 7.918 ( -14.932 0.000 1.838) 15.044 8.142 ( 4.512 0.000 -2.558) 5.187 8.307 ( 6.142 0.000 0.183) 6.145 8.666 ( -13.389 0.000 -2.865) 13.692 8.882 ( -7.549 0.000 -1.768) 7.753 8.919 ( -14.228 0.000 11.894) 18.545 9.012 ( -1.437 0.000 -5.583) 5.765 9.103 ( 10.726 0.000 8.458) 13.660 9.439 ( 14.474 0.000 -5.453) 15.468 9.721 ( -4.130 0.000 1.720) 4.474 9.866 ( 4.429 0.000 15.632) 16.247 9.986 ( 2.295 0.000 3.206) 3.943 10.027 ( -9.099 0.000 -8.947) 12.761 10.348 ( -6.807 0.000 -8.497) 10.887 10.371 ( 2.838 0.000 -2.701) 3.917 10.433 ( 7.148 0.000 9.312) 11.739 10.677 ( -1.570 0.000 -15.370) 15.450 10.791 ( -6.436 0.000 -4.050) 7.604 10.829 ( -0.365 0.000 2.591) 2.617 10.948 ( -9.561 0.000 -2.779) 9.957 11.138 ( -2.281 0.000 -10.720) 10.960 11.404 ( 2.211 0.000 6.709) 7.064 11.449 ( 1.366 0.000 7.853) 7.971 11.570 ( -7.607 0.000 0.620) 7.632 11.742 ( -0.119 0.000 1.676) 1.680 11.922 ( 4.338 0.000 0.272) 4.347 12.174 ( -2.790 0.000 -9.769) 10.159 12.270 ( 6.536 0.000 -2.521) 7.005 12.453 ( 1.033 0.000 2.436) 2.645 12.551 ( 0.625 0.000 -0.639) 0.894 12.726 ( 18.477 0.000 -2.863) 18.698 12.950 ( 9.196 0.000 -3.295) 9.768 13.186 ( 0.292 0.000 4.274) 4.284 13.350 ( -3.028 0.000 -3.907) 4.942 13.357 ( -8.453 0.000 -1.234) 8.542 13.626 ( 1.643 0.000 1.198) 2.034 13.855 ( -10.412 0.000 2.486) 10.705 13.994 ( -2.893 0.000 -1.520) 3.269 14.013 ( 4.341 0.000 7.189) 8.398 14.214 ( 2.312 0.000 -7.234) 7.594 14.527 ( 0.461 0.000 2.218) 2.265 14.760 ( -6.416 0.000 -0.617) 6.446 14.991 ( 5.862 0.000 10.018) 11.607 15.182 ( 14.531 0.000 0.909) 14.559 16.189 ( -2.843 0.000 2.754) 3.958 16.413 ( 0.427 0.000 -7.242) 7.254 16.583 ( 8.917 0.000 -0.667) 8.942 16.756 ( 6.418 0.000 1.126) 6.516 17.334 ( -19.970 0.000 5.586) 20.737 17.408 ( -6.997 0.000 10.102) 12.288 17.853 ( -3.725 0.000 -14.046) 14.532 18.171 ( 11.255 0.000 -1.680) 11.379 18.382 ( -23.139 0.000 14.252) 27.176 18.998 ( -13.808 0.000 -5.940) 15.031 19.067 ( 1.515 0.000 7.762) 7.909 19.316 ( 6.885 0.000 2.354) 7.277 19.543 ( 5.980 0.000 -5.367) 8.035 19.911 ( 8.970 0.000 -6.599) 11.136 20.036 ( 4.014 0.000 3.746) 5.490 20.180 ( -1.188 0.000 -4.050) 4.221 20.280 ( -2.163 0.000 1.261) 2.504 20.596 ( 6.779 0.000 -2.612) 7.265 20.791 ( -1.613 0.000 13.547) 13.642 20.932 ( 5.392 0.000 -0.904) 5.467 20.938 ( 0.006 0.000 3.388) 3.388 21.092 ( 2.263 0.000 7.406) 7.744 21.427 ( -7.836 0.000 -0.360) 7.844 21.703 ( -27.108 0.000 -15.946) 31.450 21.783 ( 7.547 0.000 -5.075) 9.094 21.903 ( -9.165 0.000 -1.919) 9.364 22.411 ( 15.075 0.000 -1.562) 15.156 22.838 ( 15.744 0.000 -1.757) 15.842 26.907 ( 0.164 0.000 -0.443) 0.473 26.930 ( 0.114 0.000 -1.778) 1.781 27.357 ( -0.768 0.000 3.307) 3.395 27.460 ( -3.476 0.000 2.467) 4.262 27.696 ( 0.031 0.000 0.343) 0.345 27.719 ( -2.302 0.000 -0.755) 2.422 27.832 ( 1.148 0.000 3.658) 3.834 27.892 ( 0.142 0.000 0.379) 0.404 28.321 ( 1.731 0.000 2.536) 3.070 28.338 ( -2.275 0.000 -2.870) 3.662 28.453 ( 2.610 0.000 0.735) 2.711 28.542 ( 5.997 0.000 3.251) 6.822 28.584 ( 8.659 0.000 -0.336) 8.666 28.643 ( 5.002 0.000 -5.240) 7.244 28.756 ( -1.593 0.000 0.100) 1.596 28.993 ( 1.160 0.000 2.327) 2.600 29.066 ( -2.988 0.000 5.890) 6.604 29.129 ( 3.427 0.000 5.856) 6.785 29.187 ( -2.851 0.000 -2.816) 4.008 29.330 ( -3.499 0.000 0.041) 3.499 29.503 ( 0.652 0.000 -1.193) 1.359 29.989 ( -1.514 0.000 -9.291) 9.414 29.994 ( 8.247 0.000 15.398) 17.467 30.209 ( -3.255 0.000 -3.132) 4.517 30.253 ( -1.377 0.000 -1.176) 1.811 30.482 ( 0.322 0.000 -10.036) 10.041 30.737 ( -0.818 0.000 -0.681) 1.065 30.833 ( 3.605 0.000 9.875) 10.512 31.701 ( -0.487 0.000 5.463) 5.485 31.970 ( -4.478 0.000 5.200) 6.862 32.448 ( -12.362 0.000 -5.299) 13.450 32.687 ( 0.916 0.000 -19.844) 19.866 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -18.215 0.000 16.430) 24.530 1.055 ( -23.563 0.000 23.841) 33.521 1.580 ( -41.848 0.000 26.338) 49.447 1.928 ( 3.918 0.000 -4.470) 5.944 2.012 ( 5.696 0.000 12.217) 13.479 2.102 ( 0.154 0.000 -5.757) 5.759 2.153 ( 0.208 0.000 3.711) 3.717 2.205 ( 2.792 0.000 -3.944) 4.832 2.261 ( -6.533 0.000 6.144) 8.968 2.552 ( 6.648 0.000 0.413) 6.661 2.633 ( 1.940 0.000 2.211) 2.942 2.677 ( 2.764 0.000 -0.178) 2.770 2.685 ( 6.476 0.000 -2.459) 6.927 2.959 ( 1.424 0.000 -9.723) 9.826 3.139 ( 9.809 0.000 -1.015) 9.862 3.181 ( 2.883 0.000 2.385) 3.741 3.274 ( -0.190 0.000 -0.611) 0.640 3.343 ( 11.328 0.000 -10.101) 15.178 3.593 ( -3.775 0.000 7.144) 8.080 3.620 ( 0.926 0.000 -7.329) 7.387 3.694 ( 5.629 0.000 -2.633) 6.215 3.729 ( 0.737 0.000 -2.176) 2.298 3.857 ( -7.960 0.000 -5.180) 9.497 3.861 ( -3.824 0.000 -4.172) 5.659 4.049 ( 2.040 0.000 -16.273) 16.400 4.422 ( 0.044 0.000 6.321) 6.321 4.476 ( -3.460 0.000 1.883) 3.939 4.570 ( 7.285 0.000 4.528) 8.578 4.713 ( 6.409 0.000 8.266) 10.459 4.893 ( -2.267 0.000 4.449) 4.993 4.909 ( -1.599 0.000 7.781) 7.944 5.001 ( 0.035 0.000 0.147) 0.151 5.087 ( 3.201 0.000 0.515) 3.242 5.301 ( 6.571 0.000 -13.561) 15.069 5.338 ( 2.054 0.000 -2.337) 3.111 5.450 ( -1.601 0.000 10.853) 10.970 5.915 ( 14.133 0.000 16.965) 22.081 5.989 ( 12.276 0.000 6.263) 13.781 6.056 ( -2.308 0.000 -10.003) 10.266 6.059 ( 3.536 0.000 -1.625) 3.892 6.345 ( 2.241 0.000 -11.755) 11.966 6.370 ( 3.469 0.000 -4.137) 5.399 6.509 ( 2.223 0.000 -7.781) 8.093 6.638 ( -3.581 0.000 3.359) 4.910 6.832 ( -16.209 0.000 3.376) 16.557 6.929 ( -5.043 0.000 0.131) 5.045 7.213 ( -8.930 0.000 0.521) 8.945 7.234 ( 0.272 0.000 8.292) 8.296 7.278 ( 27.658 0.000 0.478) 27.662 7.512 ( -9.004 0.000 -5.310) 10.453 7.640 ( -10.419 0.000 4.492) 11.346 7.759 ( -4.497 0.000 2.662) 5.226 8.015 ( 13.113 0.000 4.835) 13.975 8.068 ( -10.846 0.000 0.049) 10.846 8.410 ( 4.334 0.000 -3.996) 5.895 8.463 ( -5.986 0.000 -9.250) 11.018 8.646 ( -17.336 0.000 -6.824) 18.631 8.661 ( -5.973 0.000 8.671) 10.529 9.044 ( 2.451 0.000 -4.980) 5.551 9.261 ( 3.811 0.000 7.686) 8.579 9.588 ( -2.621 0.000 9.548) 9.901 9.727 ( 6.161 0.000 -4.141) 7.423 9.793 ( -12.644 0.000 -6.143) 14.058 9.929 ( 2.732 0.000 11.070) 11.402 10.104 ( 8.953 0.000 2.625) 9.330 10.263 ( -1.255 0.000 -8.777) 8.866 10.412 ( 2.525 0.000 -3.619) 4.412 10.450 ( -4.530 0.000 8.440) 9.579 10.606 ( -10.988 0.000 -4.344) 11.816 10.703 ( 3.959 0.000 -8.958) 9.794 10.856 ( -2.509 0.000 1.143) 2.757 10.906 ( 3.950 0.000 -1.745) 4.319 11.017 ( -3.137 0.000 -11.940) 12.345 11.312 ( -13.365 0.000 -2.232) 13.550 11.457 ( -0.664 0.000 7.967) 7.995 11.498 ( 2.337 0.000 6.742) 7.136 11.692 ( -3.992 0.000 6.755) 7.846 12.057 ( 8.533 0.000 -1.180) 8.614 12.160 ( -1.226 0.000 -5.810) 5.938 12.434 ( 10.498 0.000 -3.132) 10.955 12.454 ( -1.566 0.000 0.400) 1.617 12.589 ( 0.385 0.000 -6.980) 6.991 13.033 ( 11.007 0.000 -2.919) 11.387 13.105 ( 5.429 0.000 -3.203) 6.303 13.134 ( -4.291 0.000 -0.620) 4.335 13.260 ( -1.437 0.000 0.628) 1.568 13.312 ( 0.003 0.000 -2.378) 2.378 13.669 ( 1.769 0.000 0.066) 1.771 13.670 ( -6.881 0.000 2.727) 7.402 13.832 ( -13.066 0.000 -2.068) 13.229 14.050 ( -1.248 0.000 3.702) 3.907 14.227 ( 0.658 0.000 -4.566) 4.613 14.573 ( 3.928 0.000 -1.973) 4.396 14.718 ( 0.169 0.000 -4.394) 4.397 15.117 ( 6.664 0.000 16.466) 17.763 15.480 ( 15.403 0.000 7.045) 16.938 16.210 ( 3.687 0.000 2.483) 4.445 16.467 ( 4.247 0.000 -13.007) 13.683 16.743 ( 6.197 0.000 1.051) 6.285 16.777 ( -6.750 0.000 -5.564) 8.748 17.008 ( -7.025 0.000 4.531) 8.359 17.275 ( -2.007 0.000 14.565) 14.702 17.826 ( -0.560 0.000 -16.311) 16.321 17.931 ( -20.064 0.000 18.852) 27.531 18.389 ( 10.815 0.000 -1.013) 10.862 18.743 ( -11.741 0.000 -6.704) 13.520 19.060 ( -1.630 0.000 9.537) 9.676 19.444 ( 5.552 0.000 6.067) 8.224 19.627 ( 2.690 0.000 -7.843) 8.291 20.039 ( 1.852 0.000 -1.470) 2.365 20.089 ( -0.122 0.000 5.009) 5.010 20.193 ( 2.781 0.000 -4.319) 5.137 20.249 ( 0.417 0.000 -1.672) 1.723 20.570 ( -9.849 0.000 -11.119) 14.853 20.851 ( -0.760 0.000 7.746) 7.784 20.949 ( 2.062 0.000 7.080) 7.375 21.050 ( 5.506 0.000 -2.075) 5.884 21.063 ( -5.578 0.000 -0.743) 5.627 21.269 ( -8.582 0.000 1.705) 8.749 21.304 ( -4.852 0.000 0.136) 4.854 21.696 ( -6.351 0.000 -4.009) 7.510 21.966 ( 5.701 0.000 -6.593) 8.716 22.676 ( 10.973 0.000 2.179) 11.187 23.103 ( 11.101 0.000 -0.633) 11.119 26.911 ( 0.155 0.000 -0.388) 0.418 26.934 ( 0.337 0.000 -1.425) 1.464 27.371 ( 2.600 0.000 2.371) 3.518 27.383 ( -3.726 0.000 2.394) 4.429 27.672 ( -2.152 0.000 0.439) 2.196 27.690 ( -0.584 0.000 0.288) 0.651 27.861 ( 1.633 0.000 2.785) 3.229 27.906 ( 1.102 0.000 0.968) 1.467 28.306 ( -0.895 0.000 -3.011) 3.142 28.315 ( -1.802 0.000 0.175) 1.811 28.471 ( 0.780 0.000 6.886) 6.930 28.716 ( 0.868 0.000 -2.292) 2.451 28.754 ( 7.171 0.000 -3.045) 7.791 28.766 ( 10.394 0.000 1.254) 10.469 28.785 ( 9.015 0.000 -3.204) 9.568 29.003 ( -2.899 0.000 4.894) 5.689 29.026 ( 2.407 0.000 2.756) 3.659 29.108 ( -4.734 0.000 -2.573) 5.388 29.184 ( 1.779 0.000 4.635) 4.965 29.237 ( -5.978 0.000 -0.507) 6.000 29.512 ( 0.624 0.000 2.351) 2.433 29.964 ( -0.465 0.000 -9.838) 9.849 30.071 ( -13.036 0.000 -7.741) 15.161 30.225 ( -1.511 0.000 -1.143) 1.894 30.267 ( 19.327 0.000 15.859) 25.001 30.469 ( -1.405 0.000 -9.920) 10.019 30.809 ( 12.938 0.000 7.354) 14.882 30.926 ( 5.165 0.000 13.524) 14.477 31.684 ( -1.494 0.000 4.601) 4.838 31.858 ( -5.816 0.000 2.516) 6.337 32.210 ( -10.884 0.000 -3.582) 11.459 32.540 ( -19.516 0.000 -28.002) 34.132 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.550 28.748 13.397) 31.754 0.990 ( 2.344 22.641 19.798) 30.167 1.621 ( -1.071 34.746 20.257) 40.234 1.970 ( 0.576 -0.305 4.052) 4.104 2.107 ( 0.459 1.331 9.143) 9.251 2.128 ( -0.338 3.045 -6.596) 7.273 2.185 ( 0.383 1.697 -4.666) 4.980 2.258 ( -0.716 5.206 7.881) 9.472 2.309 ( -0.489 7.189 -1.803) 7.428 2.492 ( -3.417 -9.669 0.862) 10.291 2.576 ( 1.469 -2.753 -0.448) 3.153 2.667 ( 1.617 -1.372 1.346) 2.512 2.730 ( -0.570 -3.823 -1.426) 4.120 2.881 ( 0.194 -2.933 -1.444) 3.275 3.050 ( -0.231 -5.975 0.229) 5.984 3.121 ( -0.393 -10.878 -1.473) 10.984 3.261 ( -1.331 -5.141 0.222) 5.315 3.558 ( 0.180 -3.469 -3.952) 5.262 3.582 ( 4.240 0.187 0.542) 4.278 3.667 ( -3.296 -1.070 -3.012) 4.591 3.705 ( 4.622 2.437 -6.426) 8.282 3.796 ( -4.241 3.886 -11.449) 12.813 3.826 ( 0.666 3.331 -5.593) 6.544 3.890 ( 3.324 4.509 -3.259) 6.481 4.108 ( 1.531 1.279 -18.635) 18.741 4.347 ( -1.307 -0.132 11.711) 11.784 4.459 ( 0.838 4.691 3.342) 5.820 4.591 ( -5.148 -6.414 3.530) 8.950 4.842 ( 5.077 5.700 -0.696) 7.665 4.922 ( -2.670 -3.965 3.689) 6.038 4.988 ( 1.295 2.823 6.148) 6.888 5.021 ( 3.483 6.870 3.383) 8.413 5.162 ( -2.725 5.433 6.610) 8.980 5.324 ( 0.294 8.167 1.818) 8.372 5.423 ( -1.456 -2.768 11.420) 11.841 5.537 ( -0.442 2.687 -5.540) 6.173 5.799 ( -0.550 -8.437 -6.871) 10.894 6.034 ( 4.518 -5.177 2.536) 7.324 6.134 ( -0.568 -6.208 5.637) 8.405 6.195 ( -3.817 6.008 -5.566) 9.035 6.329 ( -0.158 3.568 1.316) 3.806 6.371 ( -0.164 -10.678 5.284) 11.915 6.456 ( -2.652 -2.380 -7.691) 8.477 6.481 ( -1.639 -1.344 3.296) 3.919 6.653 ( -0.321 -4.984 -8.369) 9.746 6.789 ( 0.984 -15.232 4.971) 16.053 6.962 ( 1.602 -3.086 6.680) 7.531 7.166 ( -7.029 4.909 6.231) 10.599 7.380 ( -0.160 3.772 6.846) 7.819 7.605 ( -5.986 4.951 -0.424) 7.780 7.810 ( 5.134 -0.519 2.107) 5.573 7.960 ( 11.943 -4.050 -5.874) 13.911 8.056 ( -3.947 17.040 -6.584) 18.689 8.180 ( 3.099 5.619 -1.496) 6.589 8.226 ( -2.742 -0.408 -4.034) 4.895 8.410 ( 1.321 -0.910 -5.870) 6.085 8.548 ( 2.421 6.228 -8.125) 10.520 8.807 ( 0.552 9.896 5.918) 11.544 9.015 ( 1.250 -5.400 -8.374) 10.042 9.180 ( 0.596 -0.807 3.430) 3.574 9.562 ( -3.037 4.923 10.554) 12.035 9.683 ( -3.482 2.422 -1.376) 4.459 9.820 ( 1.028 0.452 -1.054) 1.540 9.921 ( -1.245 -9.664 1.152) 9.812 10.122 ( 1.454 -8.114 -5.515) 9.918 10.199 ( -6.082 -3.830 2.234) 7.526 10.411 ( 5.331 -4.716 -2.981) 7.717 10.422 ( 2.817 -4.205 3.904) 6.392 10.483 ( 0.644 5.147 0.105) 5.188 10.739 ( -4.618 0.486 -0.296) 4.653 10.871 ( 5.217 6.811 -3.388) 9.225 10.978 ( 0.062 -0.200 0.247) 0.324 11.062 ( -2.603 1.907 -10.223) 10.720 11.159 ( 3.050 0.433 -8.184) 8.744 11.450 ( -0.739 -0.033 5.210) 5.263 11.584 ( 0.137 2.486 9.213) 9.544 11.762 ( 4.500 7.681 0.054) 8.902 12.105 ( -0.916 2.365 -0.580) 2.602 12.224 ( -1.523 4.181 -2.317) 5.016 12.354 ( -1.846 -6.387 -2.232) 7.013 12.480 ( -6.823 -3.098 -7.568) 10.650 12.571 ( 10.690 -8.614 -2.832) 14.018 12.877 ( -4.366 -9.112 2.963) 10.529 12.982 ( -2.462 -6.331 -1.268) 6.910 13.153 ( 2.473 -2.840 1.420) 4.025 13.196 ( -2.895 -9.456 2.024) 10.094 13.361 ( 0.644 4.409 0.972) 4.561 13.562 ( 0.050 -0.390 -2.649) 2.678 13.596 ( -0.252 -0.767 1.647) 1.834 13.821 ( -2.122 6.892 -8.629) 11.245 13.902 ( 0.557 -6.650 3.145) 7.377 14.174 ( 0.673 -7.408 -3.792) 8.349 14.689 ( -1.034 5.786 -1.278) 6.015 14.821 ( -0.146 3.081 -1.902) 3.624 15.362 ( -2.878 17.893 12.462) 21.994 15.737 ( 5.612 1.819 13.107) 14.374 16.243 ( -1.074 1.248 0.922) 1.888 16.407 ( 4.100 -12.682 1.948) 13.469 16.496 ( -7.197 -16.780 2.340) 18.408 16.686 ( 0.798 -7.226 -12.809) 14.729 16.951 ( 0.457 9.702 -5.225) 11.029 17.411 ( 3.752 0.553 2.424) 4.501 17.662 ( -4.054 9.556 3.572) 10.978 17.910 ( -2.172 -2.379 8.563) 9.149 18.479 ( -4.372 -7.741 -3.867) 9.695 18.637 ( 10.056 9.636 -8.145) 16.135 19.035 ( -2.535 -8.850 9.375) 13.139 19.303 ( 3.418 -3.069 -1.183) 4.744 19.938 ( -2.634 1.317 -0.679) 3.022 19.998 ( 5.544 8.454 -2.000) 10.306 20.083 ( -6.541 4.149 -0.500) 7.762 20.190 ( 1.136 2.373 -1.101) 2.852 20.225 ( -3.719 0.202 -4.667) 5.971 20.516 ( 2.258 3.761 -3.276) 5.475 20.782 ( 3.396 -5.860 10.244) 12.280 20.897 ( 0.334 -5.467 12.805) 13.927 21.006 ( 0.620 2.568 1.068) 2.849 21.160 ( 1.044 1.289 1.730) 2.397 21.237 ( 0.048 0.222 -0.153) 0.273 21.526 ( -0.561 21.510 0.060) 21.517 21.578 ( -0.396 -4.429 -4.012) 5.989 22.251 ( 0.308 11.716 -12.864) 17.402 22.719 ( 1.799 -8.107 4.771) 9.577 23.081 ( -0.601 -11.806 -1.539) 11.921 26.964 ( -0.029 2.493 -0.545) 2.552 27.110 ( 0.499 10.364 -8.568) 13.456 27.283 ( -0.586 -4.395 2.168) 4.936 27.439 ( 3.922 -2.779 -0.027) 4.807 27.679 ( 0.265 2.810 0.732) 2.916 27.785 ( 1.662 6.517 -5.175) 8.486 27.895 ( 1.440 -2.268 1.592) 3.122 27.955 ( 1.300 3.918 1.731) 4.477 28.276 ( -6.607 1.618 -0.653) 6.834 28.334 ( -0.783 2.248 1.302) 2.713 28.475 ( -3.740 1.869 4.654) 6.256 28.690 ( -1.515 3.536 -2.638) 4.665 28.803 ( 1.999 -3.111 -3.458) 5.063 28.907 ( 0.737 0.308 1.294) 1.521 28.913 ( -1.057 0.976 1.072) 1.794 28.986 ( -6.188 -0.658 -2.330) 6.645 29.038 ( 6.985 0.822 -2.912) 7.612 29.102 ( 1.667 -0.045 -1.778) 2.438 29.130 ( -1.625 -0.473 2.127) 2.719 29.204 ( -2.006 -0.711 1.828) 2.806 29.451 ( -15.867 2.732 0.771) 16.119 29.655 ( -3.546 1.543 6.886) 7.897 29.980 ( 4.420 -5.639 -4.141) 8.276 30.153 ( 2.929 -2.231 1.384) 3.933 30.236 ( 0.307 -9.006 -5.288) 10.449 30.438 ( -3.541 -6.368 -3.736) 8.188 31.040 ( 5.484 5.037 12.465) 14.519 31.462 ( 10.329 -6.655 4.253) 13.002 31.766 ( 12.684 1.573 -2.891) 13.104 31.808 ( 1.877 -0.506 1.214) 2.292 31.872 ( -14.639 1.013 -2.711) 14.922 32.057 ( -1.829 -2.274 -3.200) 4.331 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 16.143 24.744 5.590) 30.068 1.226 ( 17.614 19.603 15.549) 30.599 1.853 ( 15.691 15.119 6.174) 22.647 1.971 ( -0.148 -0.218 4.336) 4.344 2.059 ( -0.238 2.932 1.156) 3.160 2.117 ( 0.368 8.703 9.035) 12.550 2.165 ( -2.510 -0.594 -5.759) 6.311 2.306 ( 5.551 7.537 6.675) 11.497 2.331 ( 2.384 7.782 -2.879) 8.633 2.435 ( -1.423 -6.218 0.574) 6.405 2.572 ( -3.593 -2.898 3.803) 5.981 2.625 ( -4.465 -0.534 3.312) 5.585 2.711 ( -0.217 -1.464 -6.000) 6.180 2.892 ( 0.167 1.692 -2.709) 3.198 3.043 ( -0.333 -5.966 1.972) 6.292 3.105 ( -3.400 -14.032 -0.292) 14.441 3.250 ( -0.817 1.218 0.039) 1.467 3.507 ( -3.778 -1.899 -7.059) 8.229 3.553 ( -9.238 -0.480 -11.888) 15.063 3.641 ( 0.425 0.029 -0.995) 1.083 3.686 ( -2.351 2.951 -0.819) 3.861 3.818 ( 5.399 -1.073 0.266) 5.511 3.870 ( 4.613 1.189 -5.199) 7.052 3.901 ( -0.095 8.159 1.731) 8.341 4.105 ( -2.856 3.600 -14.345) 15.064 4.320 ( -5.009 -3.671 8.549) 10.567 4.426 ( -4.353 0.034 8.341) 9.408 4.552 ( 2.790 -4.392 1.095) 5.317 4.844 ( -7.046 -3.975 6.874) 10.617 4.902 ( -1.300 -2.896 -9.390) 9.912 4.957 ( 0.676 8.464 8.384) 11.933 5.060 ( -4.176 5.464 7.423) 10.119 5.136 ( 3.803 5.243 0.110) 6.478 5.275 ( -6.312 -3.992 -1.551) 7.628 5.317 ( -0.702 3.566 2.027) 4.161 5.542 ( -3.050 6.235 7.273) 10.054 5.735 ( -7.679 -1.065 -0.062) 7.753 5.868 ( -8.033 0.499 0.639) 8.073 6.048 ( -7.213 5.420 -6.406) 11.065 6.152 ( -8.641 -9.097 -1.607) 12.650 6.315 ( -1.808 0.982 2.499) 3.237 6.354 ( 1.882 -9.906 3.066) 10.539 6.498 ( 8.630 -0.602 -2.937) 9.136 6.559 ( -0.940 -0.428 -2.855) 3.036 6.725 ( 11.925 -9.769 -5.442) 16.348 6.825 ( -8.436 -0.674 -2.573) 8.845 6.952 ( 8.768 -15.646 8.892) 20.019 7.074 ( -8.792 -2.479 4.009) 9.976 7.455 ( -5.115 -1.211 8.613) 10.090 7.477 ( 8.153 -1.121 -3.167) 8.818 7.814 ( 6.347 9.164 1.320) 11.226 7.993 ( -5.941 -0.152 1.119) 6.047 8.030 ( 1.316 19.054 -5.726) 19.939 8.235 ( 2.706 3.560 -4.347) 6.236 8.389 ( 11.464 6.002 0.465) 12.948 8.542 ( -5.357 6.365 -1.632) 8.478 8.648 ( 16.724 -7.804 -5.671) 19.307 8.830 ( 3.292 2.489 -0.921) 4.229 9.053 ( 2.592 2.906 2.658) 4.715 9.199 ( 1.219 2.399 -1.675) 3.170 9.472 ( -5.245 8.194 10.070) 14.002 9.641 ( -3.371 -3.931 -3.135) 6.054 9.889 ( 8.867 1.503 -2.171) 9.251 9.909 ( -0.070 -11.423 -2.009) 11.599 10.061 ( -4.198 -2.328 2.743) 5.529 10.180 ( 1.113 -7.703 -4.786) 9.137 10.329 ( -5.111 -1.599 1.249) 5.499 10.465 ( -0.460 5.064 1.643) 5.343 10.648 ( 2.913 -3.324 -0.037) 4.420 10.736 ( 11.043 -1.796 -1.664) 11.311 10.946 ( -1.221 -1.890 1.035) 2.476 10.962 ( 0.460 2.667 -1.875) 3.292 11.100 ( 7.028 6.032 -8.550) 12.605 11.231 ( 2.158 -0.619 -8.162) 8.465 11.428 ( -1.880 1.024 2.896) 3.602 11.615 ( 2.818 1.506 8.883) 9.440 11.789 ( -0.346 7.574 3.107) 8.194 12.099 ( -6.663 2.343 -0.144) 7.064 12.182 ( 0.050 -1.699 -4.725) 5.021 12.247 ( -6.990 -4.450 -5.733) 10.077 12.471 ( 6.099 -5.664 -11.619) 14.293 12.642 ( -4.128 -7.660 -1.514) 8.832 12.756 ( -8.503 -5.770 5.586) 11.696 12.920 ( -4.943 -9.163 0.136) 10.412 13.162 ( 3.103 -4.990 1.510) 6.066 13.234 ( 2.714 -4.389 -0.187) 5.164 13.379 ( 4.017 1.906 2.299) 5.005 13.581 ( 2.000 2.966 -1.420) 3.849 13.630 ( 2.146 -2.958 1.650) 4.010 13.817 ( 2.162 4.736 -7.502) 9.132 13.894 ( -1.890 -2.497 1.295) 3.388 14.188 ( 0.615 -10.575 -1.278) 10.670 14.648 ( -1.926 2.989 -1.334) 3.798 14.795 ( -1.942 0.274 -0.282) 1.981 15.141 ( -16.047 15.928 9.180) 24.403 15.621 ( -14.597 -1.968 8.624) 17.068 16.138 ( -5.428 -7.479 8.004) 12.225 16.382 ( -2.918 -8.641 1.181) 9.196 16.749 ( 5.559 6.248 -7.936) 11.529 16.758 ( 24.314 -4.284 3.973) 25.006 17.002 ( 2.273 13.615 -7.900) 15.904 17.394 ( -3.816 4.303 -1.050) 5.846 17.712 ( 8.702 11.417 9.997) 17.493 17.979 ( 7.481 -10.362 -0.841) 12.808 18.450 ( 1.151 -5.501 -2.347) 6.090 18.819 ( 7.122 10.802 -4.606) 13.735 19.028 ( 2.499 -11.808 8.083) 14.527 19.298 ( -3.286 -3.826 2.126) 5.473 19.873 ( -4.865 4.467 -1.396) 6.751 19.995 ( -3.968 4.878 -7.420) 9.726 20.091 ( 2.481 9.312 2.069) 9.856 20.157 ( -2.025 1.893 -5.111) 5.815 20.207 ( 1.115 -3.787 -0.525) 3.983 20.575 ( 0.834 1.421 -1.481) 2.215 20.812 ( -3.323 -8.743 10.427) 14.008 20.905 ( -0.997 -2.505 6.732) 7.252 21.031 ( 2.508 2.975 2.183) 4.462 21.211 ( 5.542 -2.167 -0.873) 6.015 21.339 ( 11.030 -3.313 4.099) 12.225 21.462 ( -3.094 17.597 -2.840) 18.091 21.618 ( 3.997 -1.859 -4.852) 6.555 22.158 ( -8.124 9.555 -9.881) 15.967 22.656 ( -8.086 -8.275 5.117) 12.651 22.948 ( -12.146 -10.501 -3.567) 16.447 26.962 ( -0.182 2.464 -0.610) 2.544 27.085 ( -2.489 10.824 -6.287) 12.762 27.295 ( 1.854 -4.704 1.416) 5.251 27.484 ( -0.137 -4.710 2.578) 5.371 27.698 ( 1.358 3.005 0.871) 3.411 27.817 ( 0.479 5.626 -5.993) 8.233 27.917 ( 0.610 -2.027 1.890) 2.838 27.988 ( -0.114 7.103 2.510) 7.534 28.047 ( -9.431 0.617 3.614) 10.118 28.322 ( -0.199 1.000 0.910) 1.367 28.420 ( -0.494 5.724 -0.309) 5.753 28.604 ( -5.258 5.540 2.527) 8.045 28.751 ( -10.376 0.735 -2.192) 10.631 28.818 ( -2.067 -3.760 -2.090) 4.772 28.871 ( -4.038 -2.219 0.504) 4.635 28.913 ( -0.843 0.472 2.905) 3.061 29.087 ( -3.116 1.358 5.864) 6.778 29.121 ( 0.615 1.913 -1.879) 2.751 29.147 ( 3.670 0.338 0.017) 3.685 29.183 ( 5.009 -1.814 -0.403) 5.343 29.389 ( 4.568 6.712 -2.247) 8.424 29.677 ( 2.733 0.317 7.014) 7.534 30.115 ( 4.547 -4.274 0.576) 6.267 30.153 ( 1.934 -0.748 -10.525) 10.728 30.266 ( 1.216 -7.525 -0.072) 7.623 30.362 ( -3.598 -6.264 -2.865) 7.771 31.016 ( -6.836 4.812 7.422) 11.179 31.267 ( -16.846 -0.008 8.623) 18.925 31.630 ( 0.835 2.027 2.231) 3.128 31.847 ( 3.892 -2.773 3.061) 5.675 32.138 ( 9.267 -0.430 -5.860) 10.973 32.445 ( 24.288 -13.075 -14.870) 31.336 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 17.452 12.376 2.380) 21.527 1.590 ( 17.133 12.146 9.567) 23.078 1.895 ( -7.133 3.124 4.094) 8.798 1.933 ( 1.400 -0.311 -5.930) 6.101 2.085 ( -0.050 -2.695 -2.828) 3.906 2.097 ( -0.382 1.924 2.149) 2.909 2.240 ( -1.382 1.781 1.115) 2.515 2.297 ( -0.911 -1.244 -5.913) 6.111 2.403 ( -4.472 1.758 5.801) 7.533 2.465 ( -1.777 0.643 0.054) 1.891 2.556 ( -2.120 5.765 4.120) 7.396 2.674 ( 20.758 12.077 1.961) 24.096 2.734 ( 2.726 1.352 0.998) 3.202 2.876 ( 0.487 4.894 -5.165) 7.132 3.019 ( -2.218 -2.585 3.780) 5.088 3.034 ( -0.527 -6.353 -0.535) 6.398 3.163 ( -9.492 2.265 -1.458) 9.867 3.366 ( -4.188 6.109 -3.558) 8.217 3.488 ( 0.088 -1.589 -6.616) 6.805 3.636 ( 0.365 1.354 2.872) 3.196 3.676 ( 0.649 4.708 1.054) 4.868 3.895 ( -2.202 3.843 4.324) 6.190 3.938 ( 2.142 -0.015 5.023) 5.461 3.992 ( 8.757 -2.592 -0.094) 9.133 4.003 ( -1.501 -0.614 -5.753) 5.977 4.231 ( 0.841 0.088 4.608) 4.685 4.320 ( -7.734 2.674 6.550) 10.481 4.604 ( -2.706 -8.123 -2.688) 8.974 4.665 ( -7.933 3.283 10.415) 13.498 4.790 ( -10.394 -1.508 -4.515) 11.432 4.922 ( -6.635 -2.456 3.704) 7.986 5.029 ( -0.011 3.909 3.043) 4.954 5.101 ( -5.051 -7.722 -8.088) 12.271 5.218 ( -4.320 4.686 -1.743) 6.608 5.359 ( 7.460 0.098 -4.807) 8.875 5.483 ( 1.384 5.475 7.713) 9.559 5.599 ( -0.936 5.059 5.147) 7.277 5.803 ( -0.116 1.813 0.862) 2.011 5.916 ( -15.557 -4.710 -4.569) 16.884 6.027 ( 1.398 -0.585 -1.643) 2.236 6.254 ( -7.476 8.212 3.690) 11.702 6.330 ( -0.184 -11.222 -2.816) 11.571 6.545 ( -1.573 -7.954 1.238) 8.202 6.575 ( -3.707 -7.585 -4.306) 9.477 6.654 ( 3.488 -1.643 -5.041) 6.346 6.857 ( -6.932 -1.695 8.359) 10.991 7.036 ( 5.074 -12.705 0.740) 13.701 7.190 ( 19.458 -6.208 -5.229) 21.083 7.401 ( -1.142 12.775 2.938) 13.158 7.711 ( 11.514 -4.252 -1.388) 12.352 7.816 ( -10.056 -8.472 5.217) 14.146 7.948 ( 4.489 7.305 -6.556) 10.793 8.123 ( 4.778 15.201 0.632) 15.947 8.259 ( -0.462 3.184 -6.015) 6.821 8.422 ( -3.062 9.493 4.399) 10.901 8.640 ( 11.849 2.775 -1.780) 12.299 8.783 ( -1.256 -5.722 0.845) 5.919 8.909 ( 4.184 -3.658 -0.851) 5.623 9.121 ( 1.827 8.335 5.670) 10.245 9.239 ( 3.726 4.522 -1.590) 6.071 9.369 ( -6.678 8.084 6.216) 12.189 9.585 ( -0.062 -7.536 -4.792) 8.931 9.835 ( -2.926 -7.634 4.732) 9.446 10.014 ( -2.139 -2.467 1.178) 3.471 10.098 ( 3.580 -0.060 -7.120) 7.969 10.234 ( 1.469 -0.721 -5.766) 5.994 10.298 ( 7.813 -5.043 6.628) 11.420 10.491 ( 3.255 6.984 0.260) 7.710 10.661 ( 0.697 -2.929 -4.114) 5.098 10.865 ( -2.078 1.318 -3.639) 4.393 10.908 ( -1.834 -2.710 1.279) 3.514 11.043 ( 9.034 -2.911 0.040) 9.492 11.183 ( -3.906 1.939 -1.925) 4.766 11.277 ( 4.271 4.221 -6.602) 8.925 11.389 ( 1.184 0.809 0.245) 1.455 11.656 ( -0.357 -1.368 1.248) 1.886 11.793 ( 0.535 5.936 5.146) 7.874 11.967 ( -4.646 6.473 3.037) 8.527 12.112 ( -0.871 -5.224 -6.029) 8.025 12.226 ( 0.860 -3.824 -3.881) 5.516 12.450 ( -10.250 -4.452 -2.411) 11.433 12.557 ( -5.012 -3.573 -6.076) 8.649 12.643 ( 0.996 -1.327 -2.132) 2.701 12.791 ( -6.853 -7.070 -0.910) 9.888 13.169 ( -0.935 1.826 3.156) 3.764 13.306 ( 2.420 -10.067 2.173) 10.579 13.520 ( 7.189 -7.399 2.950) 10.729 13.615 ( 0.213 1.294 2.833) 3.122 13.664 ( 1.886 -2.914 1.529) 3.793 13.858 ( 0.968 1.862 -1.917) 2.842 13.895 ( 4.551 0.068 -4.505) 6.404 14.170 ( -3.148 -10.793 0.128) 11.244 14.664 ( 4.506 -0.072 -1.782) 4.847 14.762 ( -2.539 -2.197 3.942) 5.178 14.865 ( -9.300 9.709 2.297) 13.640 15.298 ( -16.945 -4.814 3.090) 17.885 16.097 ( 0.823 -4.449 8.392) 9.534 16.317 ( -3.484 -7.103 6.560) 10.277 16.813 ( -0.229 13.923 -3.327) 14.317 16.995 ( -2.191 18.336 -7.173) 19.811 17.258 ( 24.753 3.761 2.091) 25.125 17.421 ( 6.705 8.675 -0.741) 10.989 17.883 ( 6.821 4.515 1.251) 8.275 18.073 ( -0.697 -10.657 -3.076) 11.114 18.535 ( 8.054 -4.204 -0.075) 9.085 18.861 ( -2.736 -1.637 11.983) 12.400 19.129 ( 3.696 -12.628 -4.418) 13.880 19.232 ( 0.104 0.156 0.755) 0.777 19.751 ( -8.594 12.295 -1.400) 15.066 19.881 ( -4.338 3.639 -9.339) 10.922 20.081 ( -4.475 4.732 -0.537) 6.535 20.151 ( 2.647 1.012 0.006) 2.834 20.272 ( 4.320 -0.603 -0.399) 4.380 20.526 ( -4.521 3.589 2.218) 6.184 20.733 ( -3.181 -5.327 10.087) 11.842 20.888 ( 0.170 -1.517 4.721) 4.962 21.076 ( 2.510 4.532 3.998) 6.544 21.291 ( -8.126 14.602 2.761) 16.938 21.363 ( 9.943 0.389 -1.672) 10.090 21.672 ( 9.769 -8.592 -2.428) 13.234 21.741 ( 8.400 -2.959 -7.224) 11.468 22.035 ( 0.286 2.603 -6.175) 6.707 22.427 ( -14.677 -8.700 3.779) 17.475 22.653 ( -16.870 -8.449 -6.566) 19.977 26.958 ( -0.201 2.758 -0.735) 2.861 27.038 ( -1.839 9.925 -3.343) 10.633 27.345 ( 2.606 -6.035 1.542) 6.752 27.444 ( -2.818 -2.713 4.564) 6.012 27.714 ( 0.171 3.062 0.825) 3.175 27.806 ( 0.022 5.551 -2.537) 6.103 27.885 ( -2.203 2.352 5.272) 6.179 27.937 ( -0.505 1.648 1.638) 2.378 28.096 ( 5.561 -1.088 -2.980) 6.402 28.333 ( 1.109 -0.761 0.245) 1.367 28.434 ( 1.206 4.833 -0.926) 5.067 28.524 ( -3.956 1.518 -0.212) 4.242 28.568 ( -5.731 2.736 -0.523) 6.372 28.706 ( -6.255 0.665 -2.059) 6.619 28.875 ( -2.633 -1.725 3.524) 4.725 28.881 ( 1.516 -3.409 1.271) 3.941 29.079 ( 1.047 2.904 5.214) 6.059 29.121 ( -0.206 1.704 1.403) 2.217 29.195 ( 1.856 -0.435 -1.593) 2.484 29.290 ( 4.644 -1.428 -0.231) 4.865 29.476 ( 3.504 4.994 -2.821) 6.721 29.741 ( 3.597 -1.760 6.398) 7.548 30.072 ( -2.982 -2.026 -6.371) 7.320 30.238 ( -3.250 -5.426 -3.544) 7.250 30.296 ( 6.193 -0.172 -3.627) 7.179 30.361 ( 3.830 -1.856 -0.014) 4.256 30.850 ( -8.566 0.183 4.775) 9.809 30.992 ( -11.906 0.097 5.561) 13.141 31.680 ( 2.891 2.011 5.101) 6.199 31.929 ( 3.812 -3.365 4.682) 6.912 32.349 ( 11.154 0.252 -8.945) 14.300 32.689 ( 3.178 -9.231 -12.159) 15.594 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -9.359 8.341 5.706) 13.774 1.697 ( 6.731 3.910 8.833) 11.773 1.855 ( 2.129 2.211 -8.532) 9.067 1.957 ( -3.635 0.150 -5.961) 6.984 2.068 ( -8.288 0.765 -0.821) 8.364 2.102 ( 8.106 -1.918 -1.621) 8.486 2.235 ( -2.808 -3.343 -1.791) 4.719 2.238 ( 7.149 1.375 1.637) 7.462 2.368 ( -0.899 4.206 4.295) 6.078 2.486 ( 1.035 6.014 4.710) 7.709 2.557 ( 1.437 9.436 3.571) 10.191 2.623 ( -3.861 7.183 0.784) 8.192 2.845 ( -6.298 -2.572 0.943) 6.868 2.926 ( 3.230 -2.052 -5.298) 6.535 2.953 ( -2.776 -1.384 -1.012) 3.263 3.012 ( 2.998 -0.142 0.645) 3.070 3.271 ( -2.671 9.766 -1.651) 10.258 3.289 ( 5.959 4.736 -2.562) 8.032 3.511 ( 3.166 -0.055 -3.682) 4.856 3.618 ( -2.306 -1.990 -1.106) 3.241 3.752 ( 4.679 2.774 6.042) 8.130 3.840 ( 0.408 3.462 5.278) 6.325 3.957 ( -3.830 5.543 3.509) 7.596 4.002 ( 1.468 6.012 5.520) 8.293 4.152 ( -6.176 -0.803 0.020) 6.228 4.196 ( 3.480 -7.582 3.606) 9.088 4.342 ( 5.641 1.022 2.789) 6.375 4.494 ( 0.921 -0.363 4.254) 4.368 4.527 ( -1.717 9.997 4.510) 11.101 4.574 ( -5.119 5.609 4.217) 8.686 4.896 ( 1.951 -10.004 -3.366) 10.734 4.934 ( -1.609 -7.770 -6.285) 10.123 5.019 ( -3.988 0.105 -3.986) 5.639 5.289 ( 2.108 -9.054 1.086) 9.359 5.424 ( 4.148 1.157 -0.330) 4.319 5.523 ( -15.143 6.490 -10.416) 19.491 5.592 ( 4.604 0.478 8.184) 9.402 5.766 ( 7.446 2.327 -2.246) 8.118 5.882 ( 10.547 3.340 1.022) 11.111 5.951 ( -5.933 -0.979 5.621) 8.231 6.186 ( -0.672 0.847 1.651) 1.974 6.348 ( 0.424 -6.364 -4.091) 7.578 6.435 ( -4.144 -7.778 -4.704) 9.991 6.593 ( -1.606 -8.315 4.744) 9.707 6.678 ( 0.828 -6.879 -0.011) 6.928 6.804 ( 0.483 -5.505 7.674) 9.457 7.148 ( 5.051 6.683 -3.844) 9.217 7.365 ( -1.697 13.572 0.363) 13.682 7.484 ( 6.832 -4.692 -10.274) 13.200 7.599 ( -7.755 -11.990 -0.892) 14.308 7.885 ( 5.824 -6.679 5.350) 10.351 8.026 ( -1.208 -0.778 -3.520) 3.802 8.147 ( 2.766 14.879 -5.771) 16.197 8.236 ( -2.925 7.151 -4.912) 9.156 8.344 ( -5.903 10.036 7.638) 13.925 8.707 ( -0.520 -6.992 -0.386) 7.022 8.845 ( 1.341 -5.052 8.283) 9.794 8.985 ( -0.943 -1.064 -5.604) 5.782 9.097 ( 2.419 6.562 2.811) 7.537 9.205 ( -7.993 7.569 3.458) 11.539 9.288 ( 1.463 2.224 -0.734) 2.761 9.675 ( 7.252 -4.281 -4.425) 9.513 9.861 ( 0.712 -4.254 3.904) 5.817 9.939 ( -1.906 0.671 5.516) 5.874 10.121 ( 0.586 -4.291 -3.847) 5.793 10.239 ( -2.238 -3.832 -1.717) 4.758 10.349 ( 1.077 2.643 6.656) 7.242 10.543 ( -2.589 7.534 -2.102) 8.239 10.678 ( -0.299 -2.316 -10.540) 10.796 10.839 ( -5.205 -2.827 1.269) 6.057 10.923 ( 7.474 1.400 -2.193) 7.914 11.058 ( -4.525 2.324 -3.970) 6.453 11.164 ( 0.564 2.243 -3.824) 4.469 11.261 ( -0.221 -2.631 4.069) 4.850 11.529 ( 7.438 -0.390 -4.341) 8.621 11.615 ( -2.231 -0.871 -2.442) 3.420 11.770 ( -3.603 4.333 6.026) 8.251 11.917 ( -1.000 4.105 2.592) 4.957 12.163 ( 3.510 -3.418 -2.972) 5.730 12.249 ( -2.497 -2.200 -5.592) 6.508 12.297 ( -0.747 -7.305 -0.727) 7.379 12.500 ( 3.450 2.737 -3.999) 5.948 12.606 ( -3.908 -3.009 1.814) 5.256 12.781 ( 5.186 -1.942 -6.566) 8.589 13.172 ( 1.094 0.773 3.908) 4.132 13.314 ( -1.018 -7.825 1.421) 8.017 13.480 ( -8.827 -3.973 4.251) 10.572 13.602 ( 0.330 -1.964 2.378) 3.102 13.776 ( 5.561 -7.080 2.370) 9.310 13.921 ( 2.809 -1.140 -0.952) 3.177 13.984 ( 4.714 -2.030 -2.052) 5.528 14.071 ( -5.761 -7.965 -0.047) 9.830 14.657 ( -4.179 5.999 2.980) 7.895 14.817 ( 9.388 -1.804 -2.141) 9.796 14.849 ( 2.380 -2.223 2.368) 4.026 15.021 ( -7.915 -4.706 0.599) 9.227 16.123 ( 0.222 -3.030 7.801) 8.372 16.262 ( -1.575 -5.873 8.054) 10.092 16.800 ( 0.738 18.632 -3.990) 19.068 16.960 ( -0.686 16.910 -5.514) 17.799 17.525 ( 0.843 7.746 1.526) 7.939 17.608 ( 4.133 6.152 3.865) 8.358 17.931 ( -1.995 0.502 -6.709) 7.018 18.009 ( 1.859 -4.247 -5.694) 7.343 18.687 ( -2.481 -15.733 6.190) 17.088 18.729 ( -4.105 1.412 12.305) 13.048 19.092 ( -1.491 -9.932 -2.515) 10.353 19.357 ( 4.970 -6.264 -5.035) 9.450 19.573 ( -5.384 17.282 -3.562) 18.449 19.873 ( 3.094 7.024 -8.703) 11.604 20.042 ( 1.318 3.915 1.874) 4.536 20.167 ( -1.502 -0.844 -1.245) 2.126 20.334 ( 1.492 2.118 0.181) 2.597 20.494 ( 2.499 2.378 5.272) 6.300 20.694 ( -0.634 -5.061 10.911) 12.044 20.900 ( 0.324 -2.703 3.057) 4.093 21.127 ( -6.833 11.217 4.227) 13.797 21.156 ( 4.935 10.222 3.438) 11.860 21.556 ( 3.528 0.455 -2.073) 4.117 21.630 ( -3.227 0.480 -2.802) 4.301 21.953 ( 10.273 -6.365 -6.101) 13.538 22.066 ( -12.747 -5.475 -5.513) 14.928 22.172 ( -6.668 -8.441 0.072) 10.757 22.458 ( 6.372 -7.875 -5.808) 11.677 26.955 ( -0.033 3.189 -0.789) 3.285 27.018 ( -0.217 8.613 -2.472) 8.963 27.354 ( -1.565 -4.369 4.080) 6.179 27.425 ( 0.461 -4.068 1.136) 4.249 27.714 ( -0.113 2.466 0.501) 2.519 27.808 ( -0.615 3.915 -2.032) 4.453 27.862 ( -0.520 2.564 4.272) 5.009 27.922 ( -0.691 2.536 1.178) 2.880 28.215 ( 6.482 -1.656 -0.156) 6.692 28.354 ( 0.951 -2.067 0.392) 2.309 28.435 ( -0.845 2.829 -1.736) 3.425 28.488 ( 2.599 1.838 -0.780) 3.277 28.545 ( 0.610 3.623 -0.383) 3.694 28.621 ( -1.841 1.825 -2.799) 3.815 28.805 ( -3.595 -0.504 3.266) 4.883 28.916 ( 1.573 -4.366 1.743) 4.957 29.108 ( 0.451 2.607 2.950) 3.962 29.116 ( 0.827 1.733 5.961) 6.263 29.219 ( 0.418 0.360 -2.352) 2.416 29.341 ( 0.400 -2.101 0.249) 2.153 29.517 ( 1.000 3.333 -1.853) 3.942 29.807 ( 3.171 -4.544 6.149) 8.277 30.030 ( -1.664 -0.314 -7.846) 8.027 30.186 ( -1.681 -4.667 -3.491) 6.065 30.351 ( -0.248 4.726 -0.282) 4.741 30.460 ( 4.774 0.813 -4.383) 6.532 30.748 ( -0.414 -3.523 5.043) 6.165 30.797 ( -8.100 -2.329 3.286) 9.046 31.719 ( 0.933 2.113 5.899) 6.335 31.973 ( 0.290 -3.445 5.695) 6.663 32.526 ( 5.710 -1.908 -11.648) 13.112 32.643 ( -5.988 -4.440 -8.798) 11.531 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -16.966 15.310 5.583) 23.525 1.611 ( -18.159 7.361 12.104) 23.032 1.873 ( 1.378 1.224 -8.111) 8.318 1.927 ( 3.980 1.492 2.737) 5.056 2.044 ( 3.306 -0.583 -3.847) 5.106 2.113 ( -2.121 -1.631 1.433) 3.036 2.305 ( -4.099 3.247 -0.163) 5.232 2.317 ( 2.322 -1.095 0.132) 2.570 2.401 ( 5.832 -2.903 -3.672) 7.478 2.472 ( 0.938 5.852 7.129) 9.271 2.522 ( 0.185 5.287 3.140) 6.152 2.696 ( -3.606 8.150 -0.431) 8.923 2.707 ( -6.793 3.282 -1.333) 7.661 2.892 ( -5.551 1.018 -2.779) 6.291 2.977 ( 7.690 6.166 -1.208) 9.931 3.061 ( -0.896 -3.145 1.032) 3.429 3.149 ( 5.121 -2.916 0.213) 5.897 3.370 ( -0.559 4.215 -1.105) 4.393 3.595 ( -3.614 -2.265 0.679) 4.318 3.600 ( 4.636 2.809 0.729) 5.469 3.706 ( -0.641 3.162 -1.315) 3.484 3.848 ( -4.039 1.278 0.102) 4.237 3.937 ( 0.467 4.970 1.829) 5.316 3.993 ( -5.381 1.309 -2.758) 6.187 4.008 ( -3.831 0.891 -1.282) 4.137 4.214 ( 8.970 -3.285 8.550) 12.820 4.488 ( 2.449 6.097 5.223) 8.393 4.513 ( 1.385 -4.427 7.745) 9.028 4.600 ( 12.066 -4.680 2.819) 13.245 4.807 ( 10.410 5.887 -0.056) 11.959 4.924 ( -1.302 -1.796 0.581) 2.294 4.958 ( 2.543 -1.258 -1.918) 3.425 4.994 ( 5.425 -8.210 -6.522) 11.806 5.253 ( -5.722 4.505 -5.083) 8.881 5.331 ( 3.996 3.732 -1.651) 5.711 5.522 ( 3.867 -1.671 2.806) 5.061 5.683 ( -1.091 3.562 8.629) 9.399 5.829 ( 4.756 -2.481 6.530) 8.450 5.921 ( 5.598 -3.600 0.652) 6.688 6.112 ( 1.654 2.772 -5.092) 6.030 6.244 ( 8.592 -0.777 -4.038) 9.526 6.314 ( -2.227 -0.456 -4.129) 4.714 6.417 ( 2.341 -5.422 -6.070) 8.469 6.609 ( 1.083 -12.102 1.442) 12.236 6.710 ( 8.950 -4.975 5.135) 11.455 6.828 ( 2.382 -6.524 5.582) 8.910 7.068 ( -11.296 -0.723 -1.767) 11.456 7.373 ( 0.874 5.856 1.565) 6.124 7.461 ( -13.357 -0.156 -4.276) 14.026 7.548 ( 2.880 -1.361 -1.134) 3.381 7.878 ( -10.925 1.689 -0.157) 11.056 7.958 ( 0.697 -0.061 3.966) 4.027 8.075 ( -4.184 12.561 -2.272) 13.433 8.254 ( -0.877 8.474 -2.321) 8.830 8.296 ( 1.747 2.692 1.510) 3.547 8.665 ( -5.712 -1.898 -8.303) 10.255 8.789 ( -5.846 -3.214 0.399) 6.683 8.894 ( -4.118 -5.214 1.197) 6.751 9.040 ( -8.982 6.111 1.421) 10.957 9.132 ( 1.627 2.308 7.788) 8.284 9.463 ( 12.648 1.663 -4.012) 13.373 9.723 ( -2.496 -0.519 0.736) 2.653 9.807 ( -0.787 -5.674 0.911) 5.800 9.960 ( -0.835 0.686 8.278) 8.349 10.141 ( 0.559 -3.024 -1.573) 3.454 10.207 ( -0.371 -9.418 -5.813) 11.074 10.408 ( 2.414 0.406 0.490) 2.497 10.441 ( -4.053 9.777 -1.163) 10.648 10.663 ( -5.598 -5.449 -3.660) 8.627 10.738 ( -0.450 4.089 -2.040) 4.592 10.874 ( -4.410 2.141 -0.317) 4.913 11.060 ( -4.083 6.718 -3.019) 8.421 11.124 ( -2.169 0.431 -8.390) 8.677 11.341 ( 6.247 -0.957 4.880) 7.985 11.512 ( -9.013 -4.988 -0.849) 10.336 11.591 ( -0.499 0.708 1.922) 2.108 11.743 ( 0.531 5.492 0.900) 5.591 11.933 ( 3.650 1.087 1.066) 3.955 12.178 ( 0.573 -2.552 -7.635) 8.070 12.256 ( 4.017 1.090 -2.173) 4.695 12.330 ( 2.795 -8.261 0.038) 8.721 12.563 ( 0.929 -1.065 0.331) 1.451 12.726 ( 14.272 -0.544 -2.201) 14.451 12.902 ( 6.378 -4.878 -4.247) 9.083 13.174 ( -3.040 -2.999 3.738) 5.675 13.278 ( -2.374 -5.648 1.323) 6.268 13.331 ( -3.829 0.261 -0.705) 3.902 13.609 ( 0.083 -1.891 0.504) 1.959 13.778 ( -5.586 -5.501 3.668) 8.655 13.910 ( -1.223 -6.615 2.132) 7.057 13.992 ( -3.904 -4.509 -4.165) 7.274 14.084 ( 4.755 -4.450 -0.612) 6.541 14.632 ( 0.646 5.733 -0.033) 5.770 14.777 ( -2.585 1.252 0.686) 2.953 15.015 ( 10.897 1.369 7.238) 13.153 15.158 ( 15.055 -2.493 -0.400) 15.266 16.093 ( -1.706 -3.479 9.097) 9.888 16.276 ( 2.730 -6.564 4.488) 8.407 16.857 ( 3.732 18.393 -5.776) 19.636 16.959 ( -0.564 11.940 -4.557) 12.792 17.304 ( -21.726 0.417 2.865) 21.918 17.473 ( -10.390 3.192 7.247) 13.063 17.877 ( -2.956 1.459 -12.317) 12.751 18.208 ( 12.708 1.786 -4.923) 13.745 18.371 ( -19.436 -1.547 13.112) 23.496 18.741 ( -3.196 -10.256 2.469) 11.022 19.111 ( 1.798 -10.288 -1.813) 10.600 19.289 ( -6.167 5.727 -0.970) 8.472 19.663 ( 9.310 3.647 -2.125) 10.222 19.978 ( 6.851 7.394 -6.708) 12.108 20.097 ( -0.530 -1.468 -0.971) 1.838 20.132 ( 2.521 5.105 1.088) 5.797 20.327 ( -2.123 3.388 0.615) 4.045 20.592 ( 5.822 -1.494 2.436) 6.485 20.725 ( 3.647 -5.079 10.147) 11.918 20.878 ( -2.899 -2.779 6.277) 7.452 21.017 ( -3.103 8.727 2.019) 9.480 21.295 ( 7.493 11.242 3.862) 14.052 21.416 ( -8.530 -0.959 -0.929) 8.633 21.523 ( -17.938 -5.592 -8.939) 20.807 21.838 ( -11.039 -2.619 -2.684) 11.659 21.973 ( 6.473 7.392 -6.769) 11.931 22.320 ( 15.280 -8.631 -1.067) 17.581 22.728 ( 15.292 -9.915 -2.040) 18.339 26.958 ( 0.249 3.187 -0.791) 3.293 27.029 ( 1.357 8.852 -3.189) 9.507 27.327 ( -0.986 -3.364 3.014) 4.623 27.411 ( -1.936 -3.788 1.538) 4.524 27.706 ( -0.775 1.729 0.522) 1.966 27.789 ( -0.992 4.774 -1.378) 5.067 27.853 ( -0.135 0.544 2.164) 2.235 27.923 ( 0.529 3.905 1.134) 4.101 28.324 ( 3.547 0.261 2.804) 4.529 28.368 ( -0.107 1.299 -0.641) 1.452 28.459 ( 3.719 1.444 -0.795) 4.068 28.552 ( 1.499 1.455 1.856) 2.794 28.607 ( 9.166 1.478 0.165) 9.286 28.642 ( 3.470 0.210 -4.070) 5.353 28.759 ( -0.789 0.185 0.280) 0.857 28.942 ( 1.184 -4.324 2.834) 5.304 29.074 ( -2.776 1.030 4.530) 5.412 29.164 ( 2.554 2.644 3.830) 5.309 29.203 ( -2.131 1.235 -2.153) 3.271 29.310 ( -3.220 -2.117 0.274) 3.864 29.531 ( 0.698 2.912 -0.301) 3.009 29.872 ( 3.616 -7.215 7.963) 11.337 29.981 ( -3.576 -1.914 -7.232) 8.292 30.161 ( -1.733 -4.608 -4.976) 7.000 30.307 ( -2.928 3.203 -1.447) 4.575 30.537 ( 2.500 3.448 -7.299) 8.451 30.684 ( -1.847 -2.753 5.740) 6.629 30.843 ( 8.492 0.058 6.629) 10.773 31.719 ( -0.795 1.755 5.319) 5.657 31.935 ( -4.127 -3.130 5.075) 7.252 32.430 ( -11.625 -1.433 -5.522) 12.949 32.596 ( -2.908 -7.120 -15.875) 17.640 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -12.380 23.622 10.835) 28.787 1.219 ( -19.476 16.301 15.572) 29.792 1.891 ( -17.265 14.144 6.136) 23.147 1.939 ( 0.725 1.807 1.620) 2.533 2.031 ( 2.402 4.421 8.548) 9.919 2.120 ( 2.540 -1.661 -5.924) 6.656 2.158 ( 0.738 5.042 1.806) 5.407 2.320 ( -4.096 10.519 0.694) 11.309 2.365 ( -5.823 7.431 4.603) 10.503 2.510 ( 1.212 -6.757 2.916) 7.459 2.548 ( 3.305 -0.720 1.221) 3.596 2.605 ( 2.880 -3.511 -0.814) 4.613 2.709 ( 1.006 0.230 -0.241) 1.060 2.882 ( 0.716 -5.975 -6.480) 8.843 3.048 ( 0.283 -5.010 0.331) 5.028 3.137 ( 1.519 -7.572 -2.147) 8.016 3.270 ( 4.009 0.770 -0.852) 4.171 3.415 ( 8.995 3.346 -8.059) 12.532 3.543 ( -0.243 -0.035 5.253) 5.259 3.629 ( -0.780 -0.711 -4.357) 4.483 3.741 ( 0.983 2.661 -4.510) 5.328 3.784 ( 2.587 5.399 0.195) 5.990 3.860 ( -6.544 0.629 -1.594) 6.765 3.891 ( -3.635 1.839 -4.048) 5.743 4.053 ( 4.125 -0.489 -17.542) 18.027 4.374 ( 2.095 -1.365 7.806) 8.196 4.475 ( -2.785 -3.682 10.996) 11.926 4.594 ( 6.404 1.189 3.424) 7.358 4.742 ( 3.303 1.965 4.530) 5.940 4.920 ( 3.985 0.141 2.157) 4.533 4.950 ( 1.229 -3.641 -0.954) 3.959 5.028 ( -0.952 7.104 1.437) 7.311 5.048 ( 8.839 4.605 4.286) 10.849 5.264 ( 4.199 0.515 -4.241) 5.990 5.428 ( 0.379 6.632 3.019) 7.297 5.546 ( -1.113 4.670 0.325) 4.812 5.751 ( 13.048 -8.162 12.292) 19.696 5.883 ( -1.945 -10.744 -8.797) 14.021 6.078 ( 7.770 -2.635 6.146) 10.251 6.207 ( 8.884 -1.312 0.065) 8.980 6.241 ( -0.705 3.918 -5.758) 7.000 6.360 ( 0.982 -0.610 -2.556) 2.805 6.455 ( 0.608 -3.551 -5.884) 6.900 6.577 ( 0.041 -4.861 0.451) 4.882 6.788 ( -8.971 -10.853 2.535) 14.307 6.872 ( -4.343 -2.591 5.313) 7.335 7.051 ( -18.620 2.559 3.609) 19.138 7.216 ( 28.855 -4.007 -4.309) 29.449 7.351 ( -8.457 -8.160 0.798) 11.779 7.455 ( -3.630 7.842 9.726) 13.010 7.842 ( 4.424 9.194 -6.466) 12.079 7.876 ( -9.916 3.598 6.957) 12.637 8.091 ( 4.567 7.929 -1.269) 9.238 8.144 ( -7.693 8.553 -2.573) 11.788 8.324 ( 0.085 -3.450 -3.612) 4.996 8.537 ( -6.882 4.268 -8.909) 12.039 8.607 ( -11.447 -1.464 -7.210) 13.607 8.796 ( -2.197 11.755 7.697) 14.221 8.993 ( 1.271 -5.280 -9.351) 10.814 9.172 ( 1.197 -3.077 6.995) 7.735 9.605 ( -0.535 1.468 5.108) 5.341 9.739 ( 5.376 0.906 -3.271) 6.358 9.766 ( -2.885 -4.707 3.026) 6.296 9.953 ( -0.826 -2.945 5.115) 5.960 10.107 ( -1.174 -2.250 -3.037) 3.958 10.204 ( 1.569 -4.919 -2.548) 5.758 10.410 ( -3.228 -7.100 0.374) 7.808 10.429 ( 0.713 2.753 -1.411) 3.175 10.504 ( -6.075 1.291 -1.033) 6.296 10.782 ( 2.678 4.980 -1.640) 5.888 10.838 ( -1.811 -0.079 -0.251) 1.830 10.978 ( -2.268 4.829 -1.732) 5.609 11.075 ( -0.687 3.703 -10.672) 11.317 11.274 ( -12.035 -3.887 -4.257) 13.345 11.440 ( 2.339 0.344 4.155) 4.780 11.592 ( -0.246 2.065 6.225) 6.563 11.721 ( -1.290 6.091 3.468) 7.127 12.052 ( 6.883 0.214 -0.430) 6.899 12.234 ( 2.170 4.681 -7.052) 8.738 12.357 ( 7.831 -6.297 -1.630) 10.180 12.376 ( 0.938 -5.543 -0.626) 5.657 12.574 ( -1.463 -2.588 -5.751) 6.474 12.935 ( 2.509 -6.332 0.006) 6.811 12.990 ( 2.132 -7.679 -2.478) 8.346 13.089 ( -0.090 -5.475 0.013) 5.476 13.251 ( -1.417 -5.581 2.763) 6.387 13.324 ( 1.825 4.653 0.790) 5.060 13.578 ( -2.519 -4.453 -2.100) 5.530 13.669 ( -5.010 -1.580 2.939) 6.020 13.873 ( -2.811 1.480 -2.829) 4.254 13.913 ( -2.539 -8.028 -0.890) 8.467 14.151 ( 2.077 -5.451 -2.777) 6.461 14.667 ( 2.621 6.554 0.388) 7.069 14.795 ( 2.432 3.285 -1.979) 4.541 15.244 ( 11.454 10.858 11.980) 19.815 15.479 ( 16.956 0.222 5.089) 17.705 16.132 ( 6.483 -6.969 8.771) 12.943 16.357 ( 4.806 -7.874 -0.356) 9.232 16.768 ( -17.420 -5.315 5.939) 19.156 16.840 ( -12.962 5.656 -10.589) 17.667 16.986 ( -3.740 10.058 -7.502) 13.093 17.346 ( 0.174 2.210 10.052) 10.293 17.796 ( -6.743 -1.008 -10.906) 12.862 18.033 ( -11.861 4.791 15.510) 20.105 18.438 ( 10.324 4.402 -5.421) 12.464 18.619 ( -8.004 -8.448 -3.697) 12.211 19.100 ( -3.198 -8.320 3.641) 9.628 19.237 ( 1.351 1.725 0.826) 2.342 19.841 ( 8.538 1.747 -1.163) 8.792 20.027 ( -3.801 4.711 -0.785) 6.104 20.110 ( 4.786 -0.632 -4.965) 6.925 20.198 ( 0.354 6.320 1.995) 6.637 20.276 ( -2.034 1.726 -1.048) 2.866 20.611 ( -6.941 1.325 -7.691) 10.444 20.767 ( -1.411 -7.248 6.977) 10.159 20.862 ( 3.377 -5.083 14.225) 15.479 20.996 ( 0.115 3.951 1.132) 4.111 21.177 ( -7.811 0.948 -0.701) 7.900 21.289 ( -4.893 -0.557 -0.244) 4.931 21.458 ( 6.088 17.795 0.333) 18.810 21.656 ( -6.859 -2.555 -3.666) 8.186 22.148 ( 8.834 11.235 -9.651) 17.245 22.589 ( 11.106 -8.285 2.469) 14.074 22.980 ( 9.903 -10.662 -0.662) 14.567 26.963 ( 0.210 2.793 -0.658) 2.877 27.071 ( 2.787 10.136 -5.983) 12.096 27.308 ( -1.433 -4.682 2.781) 5.631 27.385 ( 0.550 -1.017 0.861) 1.441 27.688 ( -0.947 2.033 0.599) 2.321 27.774 ( -0.364 6.186 -2.284) 6.604 27.866 ( 1.344 -1.396 1.640) 2.539 27.936 ( 0.779 3.917 1.451) 4.249 28.342 ( -1.306 2.437 -0.406) 2.794 28.352 ( -1.066 3.097 0.526) 3.317 28.499 ( 0.592 2.712 5.586) 6.237 28.665 ( 5.778 -2.175 -1.348) 6.319 28.715 ( 4.919 -3.154 -3.364) 6.742 28.793 ( 5.036 2.275 -1.464) 5.717 28.829 ( 12.084 1.935 -1.044) 12.282 28.963 ( 0.178 -3.427 4.396) 5.577 29.026 ( -0.680 0.410 2.105) 2.250 29.129 ( -4.678 1.766 -1.776) 5.306 29.203 ( 0.509 1.121 2.653) 2.925 29.228 ( -4.936 -1.081 -0.344) 5.065 29.546 ( 0.686 3.421 2.275) 4.165 29.878 ( -7.225 -5.700 -6.163) 11.076 29.955 ( 2.154 -12.841 8.432) 15.512 30.101 ( -2.572 -1.534 -4.456) 5.369 30.260 ( -1.991 -1.055 -5.181) 5.650 30.506 ( -3.682 -4.125 -6.133) 8.258 30.812 ( 13.744 6.667 12.135) 19.509 31.056 ( 14.659 5.262 6.460) 16.861 31.697 ( -1.467 1.286 3.940) 4.396 31.838 ( -4.556 -1.749 2.489) 5.478 32.194 ( -11.372 -1.328 -3.636) 12.013 32.386 ( -20.087 -10.408 -16.412) 27.950 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.168 24.148 7.103) 25.370 1.536 ( -0.939 28.584 5.390) 29.102 1.882 ( 0.259 -10.088 3.571) 10.704 1.967 ( -0.357 2.673 4.204) 4.994 2.028 ( 0.706 -4.208 3.093) 5.270 2.083 ( -2.319 -20.741 1.381) 20.916 2.288 ( -1.863 5.836 -7.212) 9.462 2.375 ( -1.467 -0.407 -4.277) 4.539 2.435 ( 3.921 10.418 -3.710) 11.734 2.475 ( 0.794 7.829 -0.234) 7.873 2.560 ( 2.579 -0.984 -4.951) 5.668 2.620 ( 0.216 -5.875 -3.078) 6.636 2.768 ( -1.140 4.396 8.310) 9.470 2.851 ( -0.045 5.729 2.664) 6.318 2.915 ( -1.716 -5.285 3.100) 6.363 2.977 ( -0.296 -2.157 -5.770) 6.167 3.211 ( 0.447 3.861 2.628) 4.692 3.424 ( -0.556 -9.762 -1.570) 9.903 3.617 ( 1.795 3.322 3.903) 5.430 3.677 ( -6.554 2.623 -0.772) 7.101 3.693 ( 3.143 -2.524 3.109) 5.090 3.797 ( -4.768 -4.261 -1.742) 6.628 3.929 ( 2.329 2.235 -0.225) 3.236 3.965 ( 1.251 4.044 -7.691) 8.779 4.061 ( 3.261 -0.945 -9.445) 10.037 4.209 ( 1.138 -10.056 -6.337) 11.940 4.607 ( 0.817 11.689 1.620) 11.829 4.745 ( -4.522 6.919 5.965) 10.193 4.839 ( -0.005 -0.767 4.855) 4.915 4.894 ( 0.088 5.198 6.350) 8.207 4.991 ( 5.804 -6.188 2.507) 8.847 5.053 ( -1.627 -5.986 2.599) 6.725 5.235 ( -4.003 0.913 -2.187) 4.652 5.334 ( -6.379 0.600 -4.250) 7.689 5.523 ( 1.083 3.486 -0.479) 3.682 5.691 ( 5.181 -4.611 2.510) 7.376 5.720 ( 2.079 13.974 3.756) 14.619 5.870 ( 3.955 -1.812 5.693) 7.165 6.000 ( 11.465 -6.679 3.721) 13.780 6.073 ( 2.120 -15.963 3.615) 16.504 6.268 ( -7.197 2.514 1.592) 7.788 6.325 ( -0.659 -2.291 4.181) 4.813 6.432 ( 3.401 -5.031 1.924) 6.370 6.444 ( -2.107 -0.750 -3.196) 3.901 6.592 ( -8.476 6.751 2.116) 11.040 6.686 ( -9.208 -2.452 -0.409) 9.538 7.027 ( -1.487 7.746 4.035) 8.860 7.226 ( -5.367 -6.230 2.850) 8.703 7.416 ( -5.372 6.781 6.249) 10.672 7.649 ( -12.337 -0.853 -1.234) 12.428 7.673 ( 4.528 -7.763 -1.396) 9.095 7.770 ( 23.567 -7.682 0.038) 24.788 8.190 ( -1.575 3.000 -7.841) 8.541 8.273 ( 2.525 -3.854 -5.886) 7.475 8.428 ( 1.595 10.061 -7.634) 12.730 8.522 ( -0.908 4.831 -3.181) 5.855 8.765 ( 2.543 16.599 -8.967) 19.037 8.963 ( 4.949 0.844 -10.901) 12.002 9.144 ( -2.838 17.785 2.346) 18.162 9.163 ( 1.904 3.340 2.478) 4.574 9.513 ( 2.218 -18.119 4.801) 18.875 9.598 ( -3.000 -19.180 -0.145) 19.413 9.683 ( -1.577 5.570 -2.298) 6.229 9.790 ( -4.579 -2.756 -0.758) 5.398 10.049 ( 3.513 0.782 1.740) 3.997 10.107 ( -1.869 -4.756 1.737) 5.397 10.322 ( 5.158 1.072 2.698) 5.919 10.376 ( -3.466 -2.689 1.564) 4.657 10.584 ( -2.124 4.961 -0.137) 5.399 10.702 ( -3.661 -4.816 -0.263) 6.055 10.987 ( 0.590 2.098 0.919) 2.366 11.012 ( -0.455 2.663 0.243) 2.713 11.071 ( 2.923 1.225 -8.505) 9.076 11.143 ( 4.013 -2.511 -9.209) 10.354 11.514 ( -1.463 6.553 4.187) 7.912 11.618 ( -0.947 -0.930 6.983) 7.108 11.935 ( 5.132 8.437 -5.549) 11.328 12.096 ( 5.082 -5.899 -5.895) 9.766 12.257 ( -7.795 1.885 0.764) 8.056 12.315 ( -3.871 1.201 0.798) 4.131 12.377 ( -5.352 -4.604 -6.948) 9.906 12.408 ( 7.568 -5.444 -3.595) 9.992 12.784 ( -5.372 0.209 3.807) 6.587 12.866 ( -4.362 -5.576 4.951) 8.638 13.009 ( 0.675 -4.310 -1.697) 4.681 13.048 ( 4.844 -5.585 0.072) 7.394 13.467 ( 1.121 4.863 0.134) 4.992 13.534 ( 1.628 -1.408 -2.577) 3.358 13.629 ( -0.445 2.603 3.511) 4.394 13.731 ( 1.772 -7.717 5.081) 9.408 13.940 ( -1.219 4.611 -8.737) 9.954 14.039 ( -1.032 -5.297 -6.752) 8.644 14.787 ( -2.029 3.252 3.192) 4.987 14.832 ( -1.512 -1.154 3.345) 3.848 15.772 ( 4.977 11.861 3.292) 13.278 15.851 ( -0.388 12.303 5.927) 13.662 16.068 ( 0.944 -7.127 15.702) 17.269 16.282 ( 2.830 2.067 1.319) 3.745 16.345 ( -8.732 -4.399 0.114) 9.778 16.405 ( 2.105 -20.061 -0.486) 20.177 17.138 ( 0.972 8.454 -9.670) 12.881 17.311 ( 0.975 -7.982 -9.379) 12.354 18.009 ( 2.698 21.023 2.863) 21.388 18.023 ( -3.890 12.380 8.079) 15.286 18.281 ( -5.188 -11.634 -1.889) 12.877 18.480 ( 7.600 -21.298 -0.271) 22.615 19.080 ( 0.445 11.355 -1.799) 11.505 19.263 ( 1.004 -4.707 -1.959) 5.196 19.930 ( 2.089 -0.539 0.373) 2.189 19.960 ( 2.008 -3.627 -0.363) 4.161 20.182 ( -5.107 4.647 -4.349) 8.160 20.231 ( -4.413 -0.280 -4.523) 6.325 20.425 ( 1.364 10.850 0.383) 10.942 20.551 ( 0.482 -1.468 0.504) 1.625 20.687 ( 1.383 -0.390 12.035) 12.120 20.780 ( 1.840 -6.892 12.540) 14.426 21.092 ( 0.584 5.287 -0.071) 5.320 21.187 ( -0.905 -2.728 -1.068) 3.066 21.285 ( 0.432 7.033 0.877) 7.100 21.446 ( -0.692 -7.576 -2.247) 7.932 21.999 ( 0.177 21.899 -2.088) 21.999 22.357 ( -0.596 -8.148 -6.264) 10.295 22.579 ( 1.456 3.204 1.904) 4.001 22.804 ( -0.385 -13.905 -1.331) 13.974 27.042 ( -0.248 4.950 0.739) 5.011 27.159 ( -0.354 -5.739 0.918) 5.823 27.279 ( 0.823 5.352 -4.205) 6.856 27.373 ( 1.740 -3.736 -1.669) 4.447 27.753 ( 0.808 3.941 0.590) 4.066 27.832 ( 1.126 -3.449 0.847) 3.726 27.904 ( 0.299 4.856 -3.648) 6.081 27.982 ( -0.156 -1.943 -1.081) 2.229 28.336 ( -5.344 3.610 3.594) 7.383 28.372 ( -2.248 0.596 3.737) 4.402 28.533 ( -0.685 4.023 1.666) 4.408 28.646 ( 0.597 -5.960 -0.954) 6.066 28.833 ( 2.090 3.639 -2.928) 5.117 28.891 ( -1.771 -1.821 -0.775) 2.656 28.951 ( 1.505 1.781 0.416) 2.369 28.971 ( -2.413 -0.441 -0.144) 2.457 29.070 ( 3.510 2.127 -1.896) 4.521 29.100 ( 0.676 0.035 -1.166) 1.348 29.121 ( -1.380 -0.337 1.052) 1.768 29.159 ( -3.811 -3.062 1.081) 5.007 29.551 ( -4.221 6.691 -0.675) 7.940 29.689 ( -2.293 -3.046 -0.674) 3.871 29.853 ( 5.925 0.994 4.519) 7.518 30.011 ( 3.454 -9.855 0.854) 10.477 30.217 ( -3.125 3.451 -7.153) 8.535 30.309 ( -3.968 -5.341 -6.034) 8.982 31.177 ( 5.668 7.372 8.209) 12.404 31.328 ( 6.064 -6.825 5.315) 10.564 31.774 ( -0.213 0.166 -0.171) 0.320 31.787 ( -1.928 -1.071 0.748) 2.329 31.921 ( -1.414 3.275 -2.690) 4.467 31.994 ( -0.970 -3.546 -2.948) 4.712 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 5.393 23.090 3.709) 23.999 1.644 ( 10.338 19.942 7.446) 23.665 1.917 ( 0.224 -7.377 1.987) 7.643 1.949 ( -2.421 -1.003 1.411) 2.976 1.992 ( 0.834 -3.934 1.722) 4.375 2.106 ( 2.759 -14.081 -2.772) 14.614 2.226 ( -3.264 5.348 -4.658) 7.807 2.330 ( -3.015 -3.002 -2.120) 4.754 2.491 ( 3.412 5.268 -3.098) 7.000 2.539 ( 0.297 5.261 -2.323) 5.759 2.608 ( 0.962 -2.397 -0.994) 2.768 2.663 ( 6.666 4.676 -0.422) 8.154 2.739 ( -0.872 4.618 1.391) 4.901 2.851 ( -0.079 -5.751 3.251) 6.607 2.948 ( 5.088 5.403 5.166) 9.042 2.995 ( 1.468 0.890 -2.978) 3.438 3.269 ( 4.517 2.996 -0.024) 5.421 3.419 ( 0.782 -7.080 -4.327) 8.334 3.570 ( -5.442 5.347 0.452) 7.643 3.663 ( 1.707 1.476 -0.862) 2.415 3.718 ( -3.005 -1.700 1.140) 3.636 3.766 ( 4.123 -4.056 3.023) 6.525 3.934 ( -1.211 4.064 -8.690) 9.669 3.977 ( 1.391 0.154 0.719) 1.574 4.109 ( 1.597 -1.801 -10.883) 11.146 4.173 ( -1.826 -8.018 0.617) 8.247 4.523 ( -13.596 5.676 11.970) 18.983 4.590 ( -5.226 5.302 1.395) 7.575 4.716 ( -8.247 -2.093 9.814) 12.989 4.869 ( -5.401 -4.386 -3.802) 7.929 5.052 ( -0.435 1.144 7.555) 7.654 5.115 ( 4.520 -2.598 1.352) 5.386 5.194 ( 1.028 1.317 0.225) 1.686 5.212 ( -5.758 4.029 1.466) 7.179 5.516 ( -1.711 6.833 2.460) 7.461 5.668 ( -3.996 -8.109 2.307) 9.330 5.706 ( -4.054 6.272 6.371) 9.817 5.840 ( -10.046 -3.787 -1.254) 10.809 5.958 ( 0.305 6.578 1.395) 6.731 6.195 ( -5.748 7.086 -2.585) 9.483 6.238 ( 3.737 -8.197 -0.247) 9.011 6.327 ( 1.615 -4.144 1.751) 4.780 6.400 ( -0.061 -6.792 0.293) 6.799 6.478 ( -2.479 -4.929 0.167) 5.520 6.586 ( 10.996 4.338 -4.628) 12.694 6.727 ( 8.618 -7.930 4.776) 12.648 6.874 ( -16.381 5.321 -4.896) 17.906 7.004 ( -14.774 -5.574 -0.163) 15.791 7.401 ( 2.871 -2.216 9.919) 10.561 7.422 ( 9.565 -4.212 2.141) 10.668 7.894 ( 4.077 6.122 4.243) 8.492 8.029 ( -0.184 -3.991 2.806) 4.882 8.219 ( 4.682 6.325 -10.523) 13.140 8.376 ( -2.637 -2.021 -6.033) 6.887 8.447 ( 10.707 2.948 -5.633) 12.452 8.558 ( 5.337 0.235 -2.737) 6.003 8.854 ( 4.883 18.835 -5.747) 20.289 9.001 ( -1.855 13.387 -1.765) 13.630 9.134 ( 4.399 -2.212 -7.255) 8.768 9.224 ( 1.485 6.513 -0.116) 6.681 9.487 ( -5.521 -9.357 4.802) 11.878 9.571 ( -0.450 -14.510 4.855) 15.308 9.664 ( -0.261 1.758 -1.859) 2.572 9.773 ( 7.851 -9.174 -3.680) 12.623 10.028 ( -3.431 1.145 3.941) 5.349 10.081 ( -2.062 -1.959 2.382) 3.710 10.355 ( 1.460 4.084 0.354) 4.352 10.485 ( 6.773 -7.018 -0.208) 9.756 10.595 ( 3.169 4.267 0.512) 5.340 10.695 ( 4.194 -3.866 -1.757) 5.969 10.954 ( -2.052 2.439 0.581) 3.240 10.999 ( -1.070 -0.422 -0.696) 1.345 11.208 ( 8.569 3.643 -7.837) 12.170 11.244 ( 4.539 0.511 -8.220) 9.404 11.468 ( -3.002 4.948 3.781) 6.913 11.590 ( -1.506 -4.568 5.969) 7.666 12.003 ( -0.351 11.727 -1.734) 11.860 12.125 ( -5.558 -0.472 -4.601) 7.231 12.157 ( -2.116 -2.851 -4.882) 6.037 12.210 ( -2.961 0.464 2.835) 4.126 12.328 ( 3.020 -3.410 -9.381) 10.429 12.457 ( -2.301 -9.640 -2.075) 10.126 12.679 ( -5.214 -0.594 2.680) 5.893 12.747 ( -6.785 -6.545 2.141) 9.667 13.058 ( 3.409 -0.949 1.437) 3.819 13.127 ( 3.160 -5.844 2.306) 7.032 13.479 ( 0.072 5.712 -0.118) 5.713 13.570 ( 1.482 -3.063 -1.065) 3.566 13.639 ( 1.412 3.781 3.780) 5.530 13.769 ( 1.838 -8.020 5.002) 9.629 13.919 ( -0.454 4.249 -8.364) 9.393 14.013 ( -1.339 -5.518 -5.601) 7.976 14.714 ( -4.203 2.938 2.377) 5.652 14.767 ( -4.239 -2.150 3.474) 5.887 15.455 ( -24.003 10.949 0.439) 26.386 15.575 ( -20.845 -2.627 2.510) 21.159 16.055 ( 0.976 2.132 14.377) 14.567 16.203 ( -1.162 -9.132 8.692) 12.660 16.739 ( 29.259 2.664 2.416) 29.480 16.814 ( 24.615 -2.435 -5.124) 25.260 17.197 ( 4.028 7.306 -8.055) 11.597 17.356 ( 2.759 -6.654 -6.647) 9.802 17.945 ( -0.528 8.886 0.525) 8.917 18.037 ( -1.542 10.479 3.284) 11.089 18.314 ( 7.243 -1.151 -0.950) 7.395 18.631 ( 6.972 -21.766 2.887) 23.037 19.075 ( -1.237 11.087 -2.109) 11.353 19.242 ( -3.383 -4.719 -1.050) 5.900 19.937 ( 0.237 2.916 0.489) 2.966 20.023 ( 2.097 -5.398 -0.968) 5.872 20.090 ( -4.578 4.202 -5.803) 8.502 20.157 ( -1.845 -1.868 -4.229) 4.977 20.433 ( -0.730 12.129 1.516) 12.245 20.575 ( 0.689 -2.415 1.745) 3.058 20.708 ( 0.440 0.278 12.405) 12.416 20.808 ( 0.910 -6.661 9.931) 11.992 21.137 ( 3.785 5.540 0.409) 6.722 21.206 ( 3.373 -0.163 -1.255) 3.603 21.329 ( 5.524 2.903 1.686) 6.464 21.456 ( 1.862 -7.392 -3.100) 8.229 21.935 ( -6.139 20.412 -2.185) 21.427 22.254 ( -9.316 -5.457 -5.898) 12.303 22.498 ( -9.014 0.097 2.516) 9.359 22.689 ( -10.736 -13.188 -2.583) 17.201 27.041 ( 0.145 5.115 0.429) 5.135 27.163 ( 0.736 -5.927 0.149) 5.975 27.276 ( -0.994 6.301 -2.946) 7.027 27.391 ( -0.166 -4.700 -0.265) 4.710 27.775 ( 1.201 4.006 1.062) 4.315 27.849 ( 0.391 -2.765 1.042) 2.980 27.917 ( 0.880 2.928 -3.599) 4.722 27.979 ( 0.050 -2.843 -1.981) 3.466 28.203 ( -6.837 8.277 3.436) 11.272 28.319 ( -2.917 -2.435 2.336) 4.461 28.538 ( 0.870 5.773 0.174) 5.841 28.651 ( -1.582 -3.695 -0.886) 4.115 28.749 ( -8.808 0.426 -0.382) 8.827 28.775 ( -5.905 -1.004 -0.905) 6.058 28.862 ( -5.530 2.511 0.382) 6.085 28.911 ( -3.620 -1.127 1.440) 4.055 29.109 ( 0.359 1.076 2.541) 2.782 29.133 ( 1.861 -0.984 0.275) 2.124 29.160 ( 2.724 0.769 -1.061) 3.023 29.167 ( 4.741 -0.011 -1.160) 4.881 29.558 ( 2.853 8.725 -1.651) 9.327 29.680 ( 0.573 -1.550 2.270) 2.807 29.997 ( 7.464 -3.784 0.863) 8.413 30.050 ( 0.382 -6.989 -3.107) 7.658 30.210 ( 2.844 0.873 -2.854) 4.122 30.254 ( -0.878 -3.443 -5.354) 6.426 31.131 ( -9.752 5.729 6.649) 13.120 31.232 ( -12.866 -3.517 6.832) 14.985 31.690 ( 0.680 3.623 1.969) 4.179 31.773 ( 2.176 -4.078 2.470) 5.241 32.146 ( 12.797 1.724 -5.428) 14.007 32.231 ( 18.723 -6.953 -6.813) 21.102 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 4.481 12.664 1.107) 13.479 1.833 ( 6.237 8.972 8.480) 13.831 1.874 ( -3.147 -4.291 -1.167) 5.448 1.929 ( 3.104 -0.618 0.721) 3.246 2.033 ( 0.030 -0.209 -7.618) 7.621 2.135 ( -1.392 -5.779 -7.393) 9.486 2.202 ( 1.355 2.132 0.366) 2.553 2.260 ( -2.240 -1.955 -0.901) 3.107 2.521 ( -0.285 8.371 0.736) 8.408 2.567 ( 2.043 6.145 2.123) 6.815 2.627 ( 3.032 -1.988 -0.348) 3.642 2.721 ( -1.007 -4.663 -1.424) 4.979 2.748 ( 1.694 2.810 0.042) 3.281 2.876 ( 1.287 -7.444 3.230) 8.216 3.002 ( -1.335 5.680 -1.525) 6.031 3.066 ( 2.107 1.333 1.110) 2.729 3.355 ( 4.741 11.316 -1.016) 12.311 3.441 ( 0.117 -0.629 -6.926) 6.955 3.454 ( -2.535 4.425 -6.005) 7.878 3.662 ( -4.010 -4.876 1.360) 6.458 3.722 ( 4.641 3.617 3.319) 6.755 3.869 ( 5.549 -6.672 1.261) 8.769 3.944 ( -2.068 -0.488 -3.325) 3.946 3.974 ( 4.334 -0.864 -1.384) 4.631 4.091 ( -1.963 11.765 5.381) 13.085 4.226 ( 6.803 -1.347 5.233) 8.688 4.384 ( -1.084 0.704 9.494) 9.581 4.451 ( -6.906 -3.554 1.492) 7.909 4.571 ( -3.681 -4.012 6.838) 8.741 4.716 ( -8.980 -10.234 0.075) 13.616 5.010 ( -6.173 9.225 3.794) 11.731 5.037 ( -9.280 7.368 6.941) 13.732 5.143 ( -0.861 0.994 0.473) 1.398 5.262 ( 3.289 -3.034 3.206) 5.505 5.514 ( 1.387 8.420 2.346) 8.850 5.587 ( -4.208 -3.644 -0.973) 5.650 5.611 ( -10.243 3.716 -1.001) 10.942 5.695 ( 1.218 -1.720 -3.591) 4.164 5.878 ( -6.471 -0.654 1.172) 6.608 6.018 ( -16.808 -8.103 -4.899) 19.291 6.218 ( 4.777 5.646 -0.229) 7.399 6.359 ( -1.522 1.092 -2.833) 3.396 6.408 ( 1.507 -6.520 3.894) 7.742 6.497 ( -0.464 -3.409 4.115) 5.364 6.531 ( -8.599 0.381 1.088) 8.676 6.733 ( -10.177 -9.379 7.706) 15.840 6.896 ( 17.924 0.754 -9.517) 20.308 7.018 ( 17.204 -9.139 -5.343) 20.200 7.584 ( 5.358 0.592 1.627) 5.631 7.623 ( 9.212 -2.998 3.250) 10.218 7.820 ( -8.734 11.715 4.117) 15.181 8.001 ( 0.074 -2.478 1.579) 2.939 8.270 ( 1.188 1.429 -3.373) 3.851 8.307 ( -2.316 -0.825 -8.375) 8.729 8.628 ( 3.867 2.963 0.340) 4.884 8.686 ( 6.235 -1.387 -1.876) 6.657 8.869 ( -1.181 18.159 -0.479) 18.203 8.942 ( -3.037 6.091 -6.004) 9.076 9.201 ( 0.199 -4.332 -3.753) 5.735 9.291 ( 6.176 1.081 -6.590) 9.096 9.382 ( -3.841 -1.998 0.372) 4.346 9.528 ( -5.252 -7.239 6.089) 10.820 9.717 ( 5.391 5.555 3.671) 8.567 9.937 ( 0.756 -10.199 3.482) 10.804 10.008 ( 0.997 -1.573 2.075) 2.788 10.074 ( 6.851 -5.958 -0.904) 9.124 10.400 ( 2.529 7.481 0.512) 7.913 10.549 ( 0.834 -6.401 0.035) 6.456 10.663 ( 4.553 7.870 -2.500) 9.430 10.821 ( 5.552 -5.852 -1.129) 8.146 10.936 ( 0.198 5.095 0.061) 5.099 11.016 ( 4.413 -1.068 -3.004) 5.445 11.256 ( -3.224 4.733 -3.861) 6.907 11.355 ( 1.591 -3.857 -2.970) 5.121 11.393 ( -1.170 6.474 -1.816) 6.825 11.549 ( -2.959 -7.880 0.161) 8.419 11.967 ( -2.322 8.926 2.091) 9.457 12.035 ( -0.901 -1.321 -3.650) 3.985 12.119 ( -2.771 1.724 2.742) 4.263 12.175 ( -0.266 3.971 -2.232) 4.563 12.322 ( -6.398 -5.503 -2.529) 8.810 12.456 ( 3.156 -8.149 -7.498) 11.515 12.599 ( -3.565 -1.803 -1.728) 4.353 12.636 ( -2.094 -4.718 -3.038) 5.989 13.117 ( 2.317 -1.934 4.809) 5.678 13.171 ( 1.230 -5.001 3.947) 6.489 13.476 ( -0.170 3.151 1.438) 3.467 13.569 ( -1.831 -4.700 -0.180) 5.047 13.678 ( 2.406 4.200 4.667) 6.724 13.808 ( 2.235 -7.135 3.813) 8.393 13.925 ( 0.666 2.860 -5.113) 5.896 13.993 ( -0.614 -4.617 -2.857) 5.464 14.675 ( 1.289 1.152 0.287) 1.752 14.711 ( -0.594 -2.195 2.100) 3.095 15.045 ( -17.220 7.158 0.117) 18.649 15.180 ( -18.383 -6.122 0.281) 19.377 16.101 ( 3.094 3.930 13.179) 14.096 16.203 ( 0.363 -5.076 12.013) 13.047 17.078 ( 4.848 10.833 -4.745) 12.781 17.216 ( 1.481 0.553 -8.126) 8.278 17.366 ( 25.202 6.378 0.366) 25.999 17.489 ( 13.459 -2.899 -0.822) 13.792 17.957 ( -0.986 1.866 -1.931) 2.860 18.007 ( -2.371 2.567 -2.369) 4.221 18.462 ( 6.553 3.541 0.873) 7.499 18.716 ( 0.961 -15.627 5.096) 16.465 19.032 ( -2.600 5.593 -2.360) 6.604 19.166 ( -2.582 -5.857 -3.429) 7.261 19.935 ( -3.263 2.574 -6.874) 8.033 19.967 ( -3.447 3.980 -5.326) 7.489 20.057 ( 0.932 2.351 0.739) 2.635 20.185 ( 3.416 -5.490 0.061) 6.467 20.399 ( -2.184 11.673 4.197) 12.596 20.550 ( -2.892 -2.511 4.133) 5.635 20.702 ( -1.001 2.521 11.590) 11.903 20.810 ( -0.503 -5.990 7.578) 9.672 21.219 ( 5.211 9.068 -0.498) 10.470 21.364 ( 11.993 -1.981 -0.475) 12.165 21.482 ( 5.512 1.647 2.913) 6.448 21.521 ( 5.680 -5.243 -2.860) 8.242 21.812 ( -4.071 11.506 -4.581) 13.036 22.042 ( -10.486 -5.451 -4.155) 12.527 22.267 ( -13.576 -0.789 1.427) 13.674 22.429 ( -14.445 -11.810 -4.504) 19.195 27.047 ( 0.386 5.759 0.092) 5.773 27.179 ( 0.493 -4.551 -1.480) 4.811 27.251 ( -1.123 4.920 -0.061) 5.047 27.369 ( -1.697 -4.649 0.939) 5.037 27.787 ( -0.117 3.485 1.404) 3.759 27.845 ( -0.666 -1.737 0.990) 2.107 27.930 ( 0.589 3.326 -1.808) 3.831 27.988 ( 0.433 -1.159 -1.549) 1.983 28.136 ( 0.495 6.632 1.351) 6.787 28.275 ( -1.185 -5.151 1.182) 5.416 28.532 ( -2.803 3.204 -1.761) 4.606 28.557 ( -5.063 0.899 -0.703) 5.190 28.631 ( -1.278 4.231 0.937) 4.518 28.750 ( -0.396 -2.501 -1.229) 2.815 28.769 ( -2.509 0.280 2.620) 3.638 28.845 ( -3.111 -2.926 2.105) 4.761 29.132 ( 1.735 2.419 3.025) 4.244 29.164 ( 0.920 0.425 -0.507) 1.134 29.199 ( 1.803 1.779 -0.374) 2.561 29.250 ( 3.059 -2.399 0.101) 3.889 29.597 ( 0.894 5.974 -0.431) 6.056 29.695 ( 0.655 -3.079 2.501) 4.021 30.032 ( -0.126 -0.339 -6.226) 6.236 30.099 ( 0.841 -6.255 -7.701) 9.956 30.304 ( 7.304 0.471 -0.243) 7.323 30.322 ( 7.143 -1.415 0.817) 7.327 30.889 ( -13.215 3.343 5.371) 14.651 30.962 ( -13.729 -2.927 5.134) 14.947 31.744 ( 3.183 4.063 4.833) 7.071 31.840 ( 3.513 -4.858 4.668) 7.598 32.381 ( 10.052 3.304 -8.100) 13.326 32.498 ( 7.999 -7.930 -8.685) 14.223 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.736 3.692 -1.746) 4.150 1.785 ( -2.208 2.251 0.192) 3.159 1.915 ( 3.212 5.433 -2.229) 6.694 1.980 ( -3.510 2.251 -4.314) 6.000 2.038 ( 5.135 -3.300 0.991) 6.183 2.053 ( -4.981 -2.750 0.082) 5.690 2.212 ( -2.443 1.511 -3.635) 4.633 2.265 ( 0.714 -1.606 -3.070) 3.537 2.509 ( -1.087 8.593 3.907) 9.502 2.612 ( 3.127 3.847 2.599) 5.597 2.649 ( -5.142 -0.281 1.037) 5.253 2.704 ( 3.319 -1.197 -1.289) 3.757 2.835 ( 5.430 2.495 -0.105) 5.977 2.905 ( 1.108 -3.323 -0.173) 3.507 2.918 ( -6.420 3.699 1.436) 7.547 3.005 ( -0.560 -1.991 3.314) 3.906 3.384 ( -3.150 5.284 -4.310) 7.511 3.473 ( 2.678 7.194 -5.880) 9.669 3.486 ( 2.506 -3.018 -5.850) 7.044 3.575 ( -1.136 -2.940 -4.034) 5.119 3.810 ( 3.163 3.560 3.822) 6.107 3.899 ( -2.267 0.215 0.922) 2.457 3.948 ( 1.309 -2.891 9.898) 10.394 4.019 ( 0.529 -5.628 5.666) 8.003 4.205 ( -0.554 10.352 1.478) 10.472 4.243 ( 0.008 7.571 1.920) 7.811 4.348 ( -1.647 -1.461 2.492) 3.325 4.422 ( 6.724 -7.853 1.508) 10.448 4.663 ( 6.048 -5.453 2.721) 8.585 4.691 ( 10.969 -5.899 3.609) 12.967 4.780 ( -14.082 7.915 6.741) 17.504 4.814 ( -11.088 7.055 7.470) 15.116 5.193 ( -1.144 11.467 0.491) 11.534 5.206 ( 1.064 8.296 -0.563) 8.383 5.499 ( 4.326 -0.815 -2.453) 5.039 5.519 ( -3.299 -2.108 -1.106) 4.069 5.614 ( -9.734 -10.506 -1.750) 14.429 5.722 ( 7.532 1.336 1.175) 7.739 5.776 ( 7.601 -10.837 -1.605) 13.334 5.887 ( 0.173 -5.373 0.252) 5.381 6.235 ( -6.442 8.074 -0.340) 10.335 6.314 ( 1.227 4.608 3.075) 5.674 6.385 ( -0.254 2.202 2.337) 3.221 6.462 ( -2.257 -3.646 3.111) 5.298 6.521 ( 1.065 -8.276 -0.974) 8.401 6.605 ( -2.755 -12.073 6.286) 13.888 7.244 ( 13.556 -0.077 -8.617) 16.063 7.351 ( 12.883 -7.931 -6.882) 16.620 7.463 ( -11.204 7.217 0.694) 13.345 7.616 ( -5.257 -1.434 1.186) 5.577 7.823 ( 5.574 8.157 1.761) 10.036 8.003 ( -1.797 -3.650 0.514) 4.100 8.293 ( 3.050 0.273 -5.924) 6.668 8.322 ( 2.153 -1.378 -0.938) 2.723 8.531 ( -11.109 8.826 3.735) 14.672 8.683 ( -6.488 -2.751 -2.006) 7.327 8.883 ( 2.059 9.133 2.683) 9.739 8.951 ( -1.431 -0.317 -6.444) 6.609 9.195 ( -0.763 4.337 -6.000) 7.442 9.312 ( -6.228 0.659 -3.604) 7.225 9.349 ( 4.298 4.781 2.076) 6.756 9.507 ( 6.798 -10.725 -6.611) 14.316 9.796 ( -0.263 -0.186 4.908) 4.918 9.925 ( -0.561 -10.450 3.588) 11.063 10.003 ( -1.873 3.711 5.817) 7.150 10.113 ( -4.661 -6.165 4.491) 8.939 10.440 ( 2.028 5.569 0.181) 5.929 10.571 ( 1.895 -6.649 -2.676) 7.414 10.806 ( 7.985 11.934 -4.608) 15.080 10.869 ( -4.392 5.835 1.384) 7.433 10.959 ( 3.626 1.652 0.068) 3.985 11.112 ( 1.005 -2.282 -2.391) 3.454 11.171 ( 1.456 2.899 -4.523) 5.566 11.263 ( -4.501 -1.143 -0.524) 4.674 11.450 ( 1.087 -3.698 -3.706) 5.347 11.490 ( -2.862 -7.503 -1.320) 8.138 11.921 ( -1.945 8.166 -0.206) 8.397 12.027 ( -1.547 3.892 -0.296) 4.198 12.116 ( -4.048 -4.919 0.867) 6.430 12.125 ( 0.281 -6.742 0.516) 6.768 12.251 ( 2.520 7.668 -3.730) 8.892 12.482 ( -0.697 -9.852 -0.600) 9.895 12.575 ( 4.285 4.401 -7.141) 9.419 12.684 ( 4.370 -5.943 -7.213) 10.317 13.141 ( -0.064 -1.899 5.828) 6.130 13.178 ( -0.539 -4.610 5.296) 7.042 13.449 ( -3.183 2.313 2.820) 4.840 13.533 ( -0.526 -4.572 0.182) 4.606 13.720 ( 1.231 1.746 4.703) 5.166 13.824 ( -1.909 -7.876 2.756) 8.560 13.939 ( 1.451 2.192 -2.042) 3.329 13.996 ( 0.895 -2.527 -1.873) 3.270 14.755 ( 1.799 3.191 -0.484) 3.695 14.788 ( 9.603 -0.878 -1.640) 9.781 14.824 ( -1.761 0.460 1.611) 2.431 14.897 ( -9.045 -5.792 0.403) 10.749 16.143 ( 0.226 3.075 12.852) 13.216 16.200 ( -0.939 -2.057 12.977) 13.172 17.112 ( 1.595 10.231 -5.725) 11.832 17.184 ( -1.849 3.838 -6.906) 8.115 17.683 ( -1.904 7.804 1.102) 8.108 17.793 ( 1.358 8.913 -0.906) 9.061 17.857 ( 4.959 -8.294 -0.250) 9.667 17.925 ( -1.879 -3.566 -5.300) 6.658 18.519 ( -1.752 1.121 2.794) 3.483 18.666 ( -5.057 -8.862 2.080) 10.414 19.014 ( 1.401 4.662 -1.670) 5.146 19.182 ( 3.287 -9.488 -4.630) 11.057 19.820 ( -5.545 7.150 -7.098) 11.499 19.926 ( -1.601 -3.248 -7.894) 8.685 20.130 ( 5.722 7.459 2.596) 9.753 20.243 ( 2.052 -0.282 -0.328) 2.098 20.381 ( 0.700 6.099 5.419) 8.189 20.508 ( -0.421 -2.618 6.335) 6.867 20.674 ( -1.759 3.354 11.385) 11.998 20.799 ( -0.810 -6.781 6.757) 9.607 21.341 ( 5.025 11.017 -0.230) 12.111 21.426 ( -5.433 12.646 1.804) 13.881 21.540 ( -1.555 -4.451 -0.356) 4.729 21.615 ( -0.489 -4.162 -2.461) 4.859 21.813 ( 6.934 -2.131 -4.313) 8.440 21.945 ( -3.349 -11.531 -1.147) 12.062 22.055 ( -3.995 5.677 -2.959) 7.546 22.252 ( 2.164 -11.157 -4.824) 12.346 27.054 ( 0.211 6.195 0.031) 6.199 27.175 ( -0.488 0.449 -2.542) 2.627 27.242 ( -0.108 -0.393 1.951) 1.993 27.341 ( -0.940 -4.598 0.444) 4.714 27.776 ( -0.891 3.002 0.958) 3.275 27.826 ( -1.142 -1.582 1.096) 2.238 27.938 ( -0.091 4.395 -1.340) 4.596 27.990 ( -0.035 0.927 -0.703) 1.164 28.203 ( 5.657 2.025 2.035) 6.344 28.287 ( 2.616 -4.377 1.394) 5.286 28.488 ( -0.235 1.962 -1.918) 2.754 28.510 ( 0.571 -0.072 -1.237) 1.364 28.642 ( 0.421 5.622 0.528) 5.662 28.697 ( -2.302 4.371 -0.805) 5.005 28.764 ( -1.381 -3.485 2.801) 4.680 28.812 ( 0.512 -5.115 1.589) 5.381 29.158 ( -0.528 3.078 2.810) 4.200 29.177 ( 1.633 2.195 1.145) 2.965 29.227 ( 0.875 0.484 -1.005) 1.417 29.276 ( -0.420 -3.832 0.849) 3.947 29.606 ( 0.467 4.929 0.586) 4.986 29.709 ( 1.126 -4.807 2.683) 5.619 30.025 ( -1.372 0.739 -8.509) 8.651 30.083 ( -1.693 -4.593 -7.707) 9.130 30.447 ( 3.898 3.590 -0.943) 5.383 30.476 ( 7.517 0.343 -1.047) 7.597 30.692 ( -3.505 -0.937 6.571) 7.506 30.727 ( -9.475 -3.596 4.919) 11.265 31.785 ( 0.722 4.115 5.818) 7.163 31.882 ( 0.436 -4.930 5.709) 7.556 32.503 ( 1.946 0.267 -9.552) 9.751 32.547 ( -2.191 -3.900 -8.449) 9.560 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -6.878 13.684 1.768) 15.417 1.804 ( -4.854 4.801 9.180) 11.441 1.889 ( -2.450 0.130 -2.020) 3.178 1.947 ( -1.562 2.608 1.089) 3.229 2.017 ( 2.954 0.742 -8.699) 9.217 2.121 ( 2.239 0.511 -3.626) 4.292 2.220 ( 4.202 -6.726 -1.051) 8.001 2.239 ( -0.144 -5.869 -2.109) 6.238 2.453 ( -4.402 5.352 -1.479) 7.086 2.541 ( -4.460 -1.731 0.423) 4.803 2.669 ( 0.476 5.321 1.134) 5.461 2.709 ( -3.593 -0.452 -5.140) 6.288 2.794 ( -2.789 5.631 7.897) 10.092 2.901 ( 2.091 -2.936 -1.423) 3.876 2.975 ( 2.976 1.252 -3.108) 4.481 3.084 ( 2.148 -5.429 2.136) 6.217 3.299 ( -3.667 14.342 -0.924) 14.833 3.408 ( -2.875 1.678 -4.278) 5.420 3.581 ( 1.643 -0.399 -2.392) 2.929 3.624 ( 2.898 -2.086 -1.032) 3.717 3.783 ( -2.005 3.662 -1.313) 4.376 3.838 ( -0.834 -1.349 -3.168) 3.543 3.934 ( -1.311 -3.007 0.274) 3.292 3.958 ( -3.964 -3.591 4.847) 7.218 4.153 ( -11.669 9.872 4.899) 16.050 4.280 ( 3.519 5.177 7.834) 10.028 4.340 ( -3.898 -4.702 5.304) 8.089 4.482 ( 11.587 -7.117 3.778) 14.114 4.645 ( 2.265 7.367 2.399) 8.072 4.783 ( 7.873 -6.220 7.889) 12.764 4.858 ( 7.118 0.318 3.618) 7.992 4.921 ( 10.744 -3.705 1.341) 11.444 5.163 ( 1.791 14.283 -0.842) 14.420 5.252 ( 0.468 2.683 1.787) 3.257 5.442 ( -4.350 -0.456 1.169) 4.527 5.537 ( 0.887 -3.259 -1.742) 3.800 5.658 ( 8.428 -0.907 -5.030) 9.856 5.812 ( -0.825 -1.401 0.511) 1.704 5.851 ( 6.232 1.645 4.331) 7.765 6.034 ( -0.007 -7.048 -0.763) 7.089 6.206 ( 11.487 -1.955 -2.535) 11.924 6.343 ( -0.772 -0.514 2.507) 2.673 6.391 ( 2.328 4.795 1.098) 5.442 6.439 ( 0.718 -3.959 -0.773) 4.097 6.574 ( 0.718 -10.088 -0.589) 10.131 6.607 ( 11.207 -5.986 -0.972) 12.742 7.136 ( -11.375 7.521 8.139) 15.880 7.329 ( -8.173 -8.024 5.875) 12.873 7.493 ( -4.954 4.152 -8.420) 10.615 7.592 ( -2.372 -3.384 -4.378) 6.021 7.909 ( 2.766 4.743 2.618) 6.083 7.969 ( 0.651 1.766 5.770) 6.069 8.305 ( -7.454 4.345 -0.112) 8.628 8.347 ( -3.230 1.562 -4.367) 5.652 8.353 ( 1.716 4.044 -0.741) 4.455 8.559 ( -1.918 -8.682 -7.127) 11.395 8.826 ( -7.873 6.670 -10.325) 14.598 8.923 ( -0.082 2.586 -5.667) 6.230 9.131 ( -3.037 6.334 -0.922) 7.085 9.244 ( -0.582 4.949 4.502) 6.716 9.513 ( 7.281 3.538 -1.062) 8.164 9.644 ( 4.017 -5.525 -3.629) 7.735 9.684 ( -5.966 -3.568 1.773) 7.174 9.843 ( -6.547 -15.829 6.933) 18.479 9.998 ( -0.002 -1.353 1.799) 2.252 10.037 ( -0.691 -4.256 -0.619) 4.356 10.480 ( 0.797 4.573 -0.432) 4.662 10.568 ( -4.107 -3.394 0.421) 5.345 10.734 ( -5.290 11.536 0.126) 12.692 10.875 ( -5.761 -2.224 1.235) 6.298 10.915 ( 0.476 13.610 0.795) 13.641 11.144 ( -2.004 -0.123 -2.974) 3.588 11.175 ( -4.161 2.367 -4.555) 6.608 11.279 ( 0.712 -9.577 -4.467) 10.591 11.413 ( 0.858 1.363 -0.671) 1.745 11.497 ( 3.707 -5.466 -1.140) 6.702 11.913 ( -0.011 5.488 -2.936) 6.224 11.997 ( -0.329 4.292 0.396) 4.323 12.061 ( 2.574 -4.277 -2.433) 5.553 12.173 ( 3.569 -6.790 -0.522) 7.688 12.340 ( 3.893 6.233 -1.598) 7.520 12.489 ( 1.159 -6.238 -1.288) 6.475 12.709 ( 8.234 0.151 -3.607) 8.991 12.775 ( 4.903 -5.782 -4.869) 9.010 13.095 ( -5.374 -1.796 4.865) 7.468 13.144 ( -2.637 -5.870 6.235) 8.960 13.412 ( 0.192 5.798 0.408) 5.816 13.534 ( -0.088 -5.320 -1.773) 5.608 13.702 ( -2.940 -0.319 4.256) 5.183 13.763 ( -3.061 -5.547 3.201) 7.098 13.961 ( 0.267 1.817 -3.746) 4.172 14.023 ( 1.725 -3.201 -1.513) 3.939 14.728 ( 0.547 3.712 1.838) 4.178 14.782 ( -0.421 -1.182 2.279) 2.602 15.035 ( 17.129 1.186 0.561) 17.179 15.086 ( 18.235 -3.640 -2.005) 18.703 16.101 ( -3.644 3.378 14.010) 14.865 16.183 ( -0.590 -3.781 11.321) 11.950 17.131 ( -4.057 7.151 -4.844) 9.543 17.161 ( -1.348 5.354 -8.725) 10.325 17.377 ( -21.224 5.767 0.043) 21.994 17.481 ( -18.802 -2.907 2.305) 19.165 17.939 ( -0.049 5.874 -4.886) 7.640 18.118 ( 8.655 -9.400 -2.104) 12.950 18.404 ( -7.530 5.925 3.550) 10.219 18.571 ( -5.064 -8.599 -0.990) 10.028 19.052 ( 1.517 5.371 -0.355) 5.592 19.229 ( 0.826 -8.726 -2.096) 9.012 19.776 ( 1.581 7.062 -4.412) 8.476 19.921 ( 1.029 -6.702 -6.215) 9.198 20.244 ( 5.232 6.029 -0.322) 7.989 20.273 ( 1.326 6.102 -1.516) 6.426 20.399 ( -0.026 4.480 3.060) 5.425 20.542 ( 3.253 -4.593 5.275) 7.714 20.650 ( -0.437 0.780 11.899) 11.933 20.769 ( -2.521 -7.315 7.463) 10.750 21.247 ( -7.626 10.581 0.754) 13.064 21.367 ( -7.935 -0.265 1.007) 8.003 21.422 ( -8.742 1.879 -1.301) 9.036 21.536 ( -1.402 -2.679 -1.532) 3.390 21.836 ( 0.006 7.229 -4.389) 8.457 22.077 ( 12.648 -12.780 -2.925) 18.216 22.171 ( 13.308 11.703 -1.806) 17.813 22.463 ( 14.110 -14.664 -2.282) 20.478 27.054 ( -0.138 5.989 0.308) 5.998 27.173 ( 0.204 -0.760 -2.121) 2.262 27.240 ( 0.007 0.754 0.993) 1.246 27.331 ( -0.104 -4.200 -0.359) 4.217 27.757 ( -0.885 2.785 0.733) 3.012 27.809 ( -0.401 -1.957 0.881) 2.184 27.925 ( -1.005 5.138 -1.803) 5.538 27.988 ( -0.200 0.233 -0.874) 0.927 28.330 ( 6.140 0.863 4.166) 7.470 28.360 ( 3.748 -1.358 2.099) 4.506 28.530 ( 5.017 3.956 -1.843) 6.649 28.578 ( 4.371 -0.215 -1.885) 4.765 28.637 ( 0.940 1.893 2.284) 3.112 28.657 ( -1.048 0.490 -0.679) 1.341 28.768 ( 2.290 1.216 0.337) 2.615 28.837 ( 1.825 -5.090 1.691) 5.666 29.125 ( -2.496 4.060 2.713) 5.484 29.205 ( 0.763 -0.216 0.561) 0.971 29.223 ( -1.607 0.367 -1.003) 1.930 29.243 ( -2.438 -2.969 1.032) 3.978 29.626 ( 1.646 5.785 1.586) 6.221 29.742 ( 1.837 -5.366 4.039) 6.963 29.955 ( -5.716 0.485 -8.278) 10.071 30.032 ( -3.793 -6.402 -7.115) 10.295 30.387 ( -5.323 4.625 -1.235) 7.159 30.496 ( -5.590 -5.416 -3.179) 8.408 30.733 ( 10.130 5.123 6.469) 13.066 30.818 ( 11.910 -2.639 5.498) 13.380 31.773 ( -1.721 3.392 5.065) 6.334 31.854 ( -3.060 -4.238 4.961) 7.207 32.411 ( -10.016 0.275 -6.811) 12.115 32.462 ( -7.559 -4.781 -10.174) 13.547 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -5.364 21.956 5.596) 23.284 1.635 ( -8.567 19.866 8.053) 23.085 1.894 ( 0.475 -6.357 0.774) 6.422 1.961 ( 2.297 -2.026 3.200) 4.429 2.010 ( -2.626 -2.479 -0.097) 3.613 2.148 ( -1.867 -9.294 -2.917) 9.918 2.247 ( 4.234 1.512 -2.115) 4.968 2.346 ( 4.369 -2.693 -2.750) 5.822 2.409 ( -0.476 3.561 -4.367) 5.655 2.484 ( -0.754 -1.002 -3.353) 3.579 2.595 ( -5.180 5.343 -6.111) 9.630 2.636 ( -3.385 -0.647 -1.593) 3.796 2.777 ( -0.319 2.355 8.592) 8.915 2.897 ( -3.044 3.834 2.788) 5.633 2.964 ( -3.104 0.167 -1.352) 3.390 3.017 ( -3.642 -3.049 -0.181) 4.754 3.246 ( -3.180 5.168 1.644) 6.286 3.430 ( 0.903 -4.836 -3.832) 6.236 3.591 ( 0.570 3.182 3.943) 5.099 3.626 ( 2.830 0.442 0.062) 2.865 3.835 ( -2.483 6.020 -6.869) 9.465 3.870 ( 2.356 3.267 1.206) 4.205 3.896 ( -0.221 2.858 0.520) 2.913 3.909 ( -6.670 -0.446 -2.594) 7.171 3.999 ( 3.895 -3.726 -11.178) 12.410 4.155 ( -0.569 -16.078 6.885) 17.499 4.531 ( 8.290 10.026 8.552) 15.569 4.682 ( 8.871 -3.365 4.902) 10.680 4.736 ( 4.778 5.323 -3.143) 7.813 4.880 ( 3.013 -6.261 4.206) 8.122 4.959 ( 1.055 7.482 5.535) 9.367 5.082 ( 2.402 -1.011 4.346) 5.067 5.260 ( 5.890 8.493 2.298) 10.588 5.322 ( 5.019 0.804 -0.706) 5.132 5.429 ( 7.041 -5.113 5.412) 10.247 5.549 ( 1.804 -6.765 -2.528) 7.444 5.715 ( -0.237 6.242 -3.586) 7.203 5.787 ( -0.931 7.172 -2.251) 7.575 5.902 ( 1.227 -8.788 5.850) 10.628 6.047 ( 0.005 -10.815 0.836) 10.847 6.329 ( 0.194 -1.690 2.610) 3.115 6.348 ( 1.234 -4.147 -1.094) 4.462 6.408 ( -0.469 -3.711 -2.093) 4.286 6.437 ( 0.636 -1.023 1.959) 2.299 6.702 ( 6.455 10.096 -0.646) 12.001 6.920 ( -5.934 -3.076 6.241) 9.144 7.115 ( 24.140 0.879 4.983) 24.665 7.177 ( -7.890 5.173 -3.400) 10.028 7.235 ( -5.238 -1.790 1.319) 5.691 7.426 ( -9.137 -11.192 6.495) 15.842 7.885 ( -11.431 2.541 6.434) 13.361 7.932 ( -5.559 -0.238 -0.859) 5.630 8.225 ( -1.879 2.309 -7.126) 7.722 8.265 ( -1.929 -0.638 -4.935) 5.337 8.390 ( 2.049 10.090 -6.091) 11.963 8.553 ( -2.499 -3.636 -4.666) 6.422 8.736 ( 0.588 11.139 -12.181) 16.517 8.896 ( 0.227 -2.223 -12.871) 13.064 9.119 ( 0.527 12.157 2.690) 12.462 9.241 ( -2.460 15.687 6.946) 17.332 9.483 ( -1.758 -17.530 2.831) 17.844 9.661 ( -1.461 -10.322 -3.275) 10.927 9.695 ( -0.382 0.153 -2.538) 2.571 9.801 ( 2.983 -6.804 6.063) 9.589 10.013 ( 0.670 -2.614 -0.233) 2.709 10.051 ( 3.093 -6.847 -1.230) 7.614 10.398 ( -8.624 5.093 3.223) 10.521 10.456 ( -4.561 -0.334 0.645) 4.619 10.657 ( -4.333 8.428 0.792) 9.509 10.794 ( -4.328 -3.438 2.188) 5.945 10.922 ( 2.449 6.482 -0.644) 6.959 11.046 ( -3.471 -1.993 -0.461) 4.029 11.105 ( -4.035 1.100 -8.846) 9.785 11.169 ( -6.218 -4.321 -6.921) 10.259 11.496 ( 3.481 5.228 1.879) 6.556 11.591 ( 4.059 -1.819 2.837) 5.276 11.890 ( -0.733 7.826 -1.653) 8.032 12.029 ( 2.310 -4.110 -2.169) 5.190 12.208 ( 11.010 -1.627 -3.708) 11.731 12.275 ( 5.681 -4.494 -2.501) 7.663 12.364 ( -1.694 5.094 -0.883) 5.441 12.478 ( -3.254 -5.686 -3.433) 7.396 12.843 ( 2.770 -1.943 1.473) 3.691 12.868 ( 4.090 -3.841 0.087) 5.612 12.982 ( -3.093 -1.706 0.817) 3.626 13.071 ( -4.740 -8.914 3.747) 10.769 13.438 ( 1.800 5.422 -0.210) 5.717 13.522 ( -0.477 -2.194 -3.333) 4.018 13.652 ( -1.832 0.404 3.017) 3.553 13.719 ( -0.984 -6.519 4.762) 8.133 13.957 ( -0.475 3.909 -6.287) 7.418 14.046 ( 0.433 -4.627 -4.437) 6.426 14.773 ( 2.817 3.518 3.874) 5.943 14.817 ( 2.452 -0.713 2.849) 3.826 15.434 ( 22.677 5.390 0.492) 23.314 15.493 ( 23.034 -0.132 0.774) 23.047 16.051 ( -0.882 2.791 15.652) 15.923 16.198 ( 2.764 -8.222 8.257) 11.976 16.749 ( -29.213 3.676 2.215) 29.526 16.862 ( -25.971 -4.891 -4.358) 26.784 17.173 ( -3.981 8.099 -8.488) 12.390 17.320 ( -0.983 -5.161 -5.407) 7.539 17.931 ( 1.320 14.076 -0.405) 14.144 18.139 ( -4.890 3.287 4.195) 7.233 18.363 ( 3.233 -9.058 0.427) 9.628 18.438 ( -8.329 -9.195 -1.941) 12.557 19.069 ( 0.561 7.492 -0.920) 7.570 19.237 ( 0.855 -5.339 -1.876) 5.723 19.850 ( 4.846 2.659 -1.278) 5.673 19.945 ( 0.967 -5.640 -3.032) 6.476 20.268 ( -2.301 4.776 -2.155) 5.723 20.300 ( -1.449 1.423 -4.366) 4.816 20.391 ( 1.095 10.535 2.089) 10.796 20.575 ( -1.504 -5.442 -0.649) 5.684 20.657 ( 1.206 -0.799 12.207) 12.292 20.741 ( 1.136 -6.509 12.152) 13.832 21.124 ( -4.202 7.071 0.172) 8.227 21.244 ( -4.871 -3.966 -0.397) 6.294 21.293 ( -2.408 8.849 0.616) 9.192 21.482 ( -3.016 -8.249 -1.491) 8.909 21.929 ( 6.215 20.178 -2.950) 21.318 22.279 ( 7.952 -9.111 -5.995) 13.498 22.441 ( 11.921 6.030 1.449) 13.437 22.706 ( 9.737 -14.694 -1.176) 17.667 27.049 ( -0.363 5.399 0.685) 5.454 27.171 ( -0.560 -5.058 0.182) 5.092 27.253 ( 1.403 4.520 -2.682) 5.440 27.341 ( 1.176 -3.225 -1.365) 3.694 27.746 ( -0.142 3.289 0.559) 3.340 27.813 ( 0.679 -2.893 0.748) 3.065 27.907 ( -0.603 5.585 -2.611) 6.194 27.984 ( -0.087 -0.834 -0.969) 1.281 28.391 ( -0.091 1.644 2.390) 2.902 28.395 ( -0.057 1.017 5.055) 5.157 28.563 ( -2.231 3.064 2.507) 4.544 28.640 ( 0.115 -3.946 -2.087) 4.465 28.696 ( 10.320 5.129 -2.703) 11.837 28.812 ( 10.304 -4.295 0.206) 11.165 28.845 ( 5.917 2.390 -0.390) 6.394 28.892 ( 4.217 -2.393 0.876) 4.927 29.073 ( -2.555 4.184 1.281) 5.067 29.160 ( -4.130 -1.238 -0.187) 4.316 29.184 ( -3.269 -0.736 0.232) 3.359 29.209 ( -1.326 -0.990 0.130) 1.659 29.645 ( -1.650 5.177 1.223) 5.570 29.758 ( -0.616 -6.544 3.188) 7.305 29.824 ( -6.076 2.443 -3.124) 7.256 29.970 ( -0.627 -9.047 -3.638) 9.771 30.297 ( -4.336 3.741 -4.699) 7.408 30.392 ( -4.632 -5.313 -4.115) 8.162 30.973 ( 13.125 7.203 6.988) 16.522 31.081 ( 14.798 -2.599 5.322) 15.939 31.738 ( -1.053 2.569 2.920) 4.029 31.793 ( -2.027 -2.504 2.597) 4.138 32.174 ( -13.241 -0.024 -4.370) 13.943 32.220 ( -16.673 -4.990 -7.427) 18.922 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -3.197 0.000 27.474) 27.659 1.416 ( -4.591 0.000 25.410) 25.822 1.692 ( 3.063 0.000 -22.147) 22.358 1.765 ( 0.294 0.000 10.390) 10.395 2.030 ( -0.844 0.000 -7.015) 7.065 2.042 ( 0.833 0.000 1.625) 1.825 2.205 ( 0.196 0.000 1.433) 1.446 2.313 ( 0.081 0.000 -2.607) 2.608 2.540 ( 0.279 0.000 4.941) 4.949 2.594 ( -3.660 0.000 -2.110) 4.225 2.618 ( 2.825 0.000 8.701) 9.148 2.720 ( 0.409 0.000 23.332) 23.336 2.763 ( 1.908 0.000 -0.980) 2.145 2.999 ( -3.787 0.000 6.680) 7.679 3.207 ( -0.434 0.000 4.191) 4.214 3.236 ( 10.051 0.000 -14.676) 17.788 3.258 ( 1.973 0.000 3.508) 4.025 3.326 ( 0.314 0.000 4.565) 4.576 3.346 ( -3.846 0.000 -25.179) 25.471 3.388 ( -3.303 0.000 -10.947) 11.434 3.472 ( -1.641 0.000 -7.438) 7.617 3.571 ( 2.455 0.000 -22.170) 22.305 3.726 ( -2.571 0.000 -2.532) 3.609 3.733 ( 1.537 0.000 -1.825) 2.386 4.123 ( 1.696 0.000 25.812) 25.868 4.431 ( -2.693 0.000 2.141) 3.440 4.527 ( 1.400 0.000 6.262) 6.416 4.675 ( 1.373 0.000 -3.173) 3.457 4.792 ( -4.983 0.000 -2.025) 5.379 4.860 ( 3.614 0.000 -12.183) 12.707 5.148 ( -2.191 0.000 5.108) 5.558 5.153 ( 6.359 0.000 5.628) 8.492 5.232 ( -3.362 0.000 7.404) 8.131 5.243 ( -3.919 0.000 3.194) 5.056 5.464 ( 0.896 0.000 -1.857) 2.061 5.548 ( 7.587 0.000 -11.479) 13.760 5.856 ( -13.489 0.000 6.295) 14.886 5.884 ( 7.637 0.000 -0.777) 7.677 6.145 ( -7.084 0.000 -2.168) 7.408 6.198 ( 0.218 0.000 -3.720) 3.726 6.386 ( 10.269 0.000 9.607) 14.062 6.410 ( -14.966 0.000 2.509) 15.175 6.488 ( 0.922 0.000 2.584) 2.744 6.554 ( 5.431 0.000 1.494) 5.633 6.678 ( 2.789 0.000 -0.946) 2.946 6.892 ( 6.384 0.000 -16.323) 17.527 7.187 ( 2.156 0.000 2.628) 3.399 7.248 ( 2.297 0.000 -2.658) 3.513 7.425 ( -13.393 0.000 15.706) 20.641 7.567 ( -17.553 0.000 5.562) 18.413 7.777 ( 2.684 0.000 3.096) 4.098 7.793 ( -5.375 0.000 -1.828) 5.677 7.826 ( 30.189 0.000 -6.126) 30.805 8.010 ( -6.933 0.000 -14.631) 16.190 8.313 ( 7.028 0.000 0.149) 7.030 8.324 ( -2.089 0.000 -0.484) 2.144 8.541 ( -3.604 0.000 13.615) 14.084 8.843 ( 2.172 0.000 -0.084) 2.174 8.916 ( 6.503 0.000 -2.281) 6.891 9.167 ( -8.041 0.000 -10.233) 13.014 9.583 ( -2.240 0.000 1.673) 2.795 9.690 ( 1.950 0.000 -4.132) 4.569 9.771 ( -1.897 0.000 9.498) 9.686 10.032 ( 1.834 0.000 -12.001) 12.141 10.217 ( -7.028 0.000 17.450) 18.812 10.333 ( -4.868 0.000 2.576) 5.508 10.391 ( 2.411 0.000 -2.986) 3.838 10.515 ( 11.730 0.000 10.490) 15.736 10.605 ( 2.973 0.000 4.370) 5.286 10.606 ( 8.319 0.000 -15.577) 17.659 10.680 ( -4.034 0.000 -2.637) 4.819 10.741 ( -10.650 0.000 -9.495) 14.268 10.983 ( 3.127 0.000 0.714) 3.207 11.045 ( 0.104 0.000 -5.170) 5.171 11.588 ( -3.832 0.000 6.861) 7.859 11.669 ( 3.759 0.000 0.764) 3.836 11.928 ( 0.799 0.000 13.084) 13.108 12.108 ( -1.035 0.000 3.193) 3.357 12.135 ( 3.092 0.000 -3.283) 4.510 12.260 ( -7.310 0.000 -11.833) 13.909 12.439 ( -4.910 0.000 2.923) 5.714 12.562 ( 12.339 0.000 -6.895) 14.135 13.009 ( -2.400 0.000 -1.279) 2.720 13.019 ( -1.108 0.000 -2.195) 2.459 13.214 ( 3.239 0.000 4.446) 5.500 13.312 ( -1.595 0.000 -3.937) 4.248 13.337 ( 2.453 0.000 4.589) 5.204 13.458 ( -5.814 0.000 -6.191) 8.494 13.651 ( -3.868 0.000 2.516) 4.614 13.693 ( 3.329 0.000 -0.756) 3.414 14.078 ( -4.448 0.000 5.134) 6.793 14.193 ( 4.656 0.000 -4.932) 6.783 14.601 ( 1.961 0.000 -0.464) 2.015 14.613 ( -1.744 0.000 -1.670) 2.414 15.567 ( -5.390 0.000 18.555) 19.322 15.917 ( 10.703 0.000 -6.967) 12.770 16.262 ( -0.814 0.000 2.272) 2.413 16.287 ( 6.171 0.000 1.149) 6.277 16.393 ( -14.824 0.000 -1.978) 14.955 16.670 ( 3.260 0.000 -19.247) 19.521 16.972 ( 3.203 0.000 10.626) 11.099 17.257 ( -5.918 0.000 -14.324) 15.499 17.795 ( 4.088 0.000 18.156) 18.610 18.173 ( -4.477 0.000 -15.508) 16.142 18.254 ( 0.833 0.000 17.923) 17.943 18.594 ( 3.643 0.000 -10.874) 11.468 19.236 ( -0.648 0.000 8.585) 8.610 19.429 ( 0.470 0.000 -9.410) 9.422 19.764 ( 9.152 0.000 9.144) 12.937 19.877 ( -10.857 0.000 -2.157) 11.069 20.128 ( -8.414 0.000 5.836) 10.240 20.161 ( -2.706 0.000 1.117) 2.927 20.224 ( 2.083 0.000 -3.296) 3.899 20.301 ( 9.992 0.000 -8.346) 13.020 21.012 ( -0.242 0.000 2.126) 2.139 21.056 ( 0.478 0.000 -2.324) 2.373 21.073 ( 2.470 0.000 8.489) 8.841 21.201 ( -2.686 0.000 -3.195) 4.174 21.294 ( 5.141 0.000 8.028) 9.533 21.478 ( -2.868 0.000 -8.190) 8.678 21.495 ( -0.886 0.000 14.625) 14.652 21.801 ( 0.588 0.000 -12.495) 12.509 22.937 ( 2.976 0.000 6.926) 7.538 23.096 ( -2.616 0.000 -7.195) 7.656 26.907 ( -0.097 0.000 0.004) 0.098 26.916 ( 0.220 0.000 -0.900) 0.927 27.382 ( -2.308 0.000 2.573) 3.456 27.439 ( 4.317 0.000 -2.431) 4.955 27.667 ( 0.218 0.000 0.651) 0.686 27.676 ( -0.559 0.000 -0.208) 0.597 27.965 ( 1.514 0.000 2.642) 3.045 27.974 ( 0.785 0.000 1.671) 1.846 28.219 ( -5.345 0.000 -1.057) 5.449 28.239 ( 2.573 0.000 -2.762) 3.775 28.599 ( -8.121 0.000 6.959) 10.694 28.721 ( 2.132 0.000 6.075) 6.438 28.747 ( 5.018 0.000 -6.011) 7.831 28.866 ( -0.370 0.000 -6.189) 6.200 28.914 ( -6.591 0.000 -0.063) 6.592 28.927 ( 6.313 0.000 -0.661) 6.348 29.000 ( -1.879 0.000 0.502) 1.945 29.034 ( 0.327 0.000 -2.413) 2.435 29.207 ( 0.763 0.000 2.406) 2.524 29.232 ( -0.314 0.000 0.261) 0.408 29.544 ( -11.712 0.000 8.783) 14.639 29.779 ( 7.857 0.000 -11.598) 14.009 29.854 ( -1.386 0.000 9.461) 9.562 30.055 ( -1.855 0.000 -8.596) 8.794 30.387 ( -0.225 0.000 1.640) 1.656 30.441 ( 0.290 0.000 -2.789) 2.804 31.279 ( -4.295 0.000 11.796) 12.553 31.511 ( 18.531 0.000 -9.120) 20.653 31.681 ( -4.029 0.000 3.305) 5.212 31.769 ( -3.560 0.000 -4.577) 5.798 31.881 ( 2.675 0.000 4.230) 5.005 31.986 ( -3.229 0.000 -4.994) 5.947 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 4.029 0.000 21.753) 22.123 1.413 ( 3.755 0.000 11.757) 12.342 1.741 ( 3.206 0.000 -7.323) 7.994 1.921 ( 9.616 0.000 -0.718) 9.643 2.061 ( 4.426 0.000 -5.442) 7.015 2.106 ( 5.409 0.000 3.170) 6.270 2.157 ( -4.642 0.000 0.457) 4.665 2.262 ( -2.239 0.000 -2.130) 3.091 2.495 ( -6.605 0.000 -2.219) 6.968 2.570 ( 1.592 0.000 6.180) 6.382 2.627 ( -1.754 0.000 9.057) 9.226 2.767 ( -1.345 0.000 -1.992) 2.404 2.816 ( 2.843 0.000 23.730) 23.900 2.833 ( -4.704 0.000 7.657) 8.986 3.160 ( -10.907 0.000 -12.325) 16.458 3.222 ( 1.218 0.000 4.544) 4.704 3.284 ( -1.305 0.000 3.360) 3.604 3.308 ( -2.977 0.000 -1.889) 3.525 3.349 ( -0.824 0.000 -3.919) 4.005 3.421 ( 7.568 0.000 -19.464) 20.883 3.469 ( 2.948 0.000 -7.800) 8.338 3.639 ( 4.043 0.000 -20.618) 21.011 3.754 ( 4.529 0.000 -2.827) 5.339 3.796 ( 5.402 0.000 -0.820) 5.464 4.219 ( 6.115 0.000 26.409) 27.107 4.445 ( 3.603 0.000 -0.426) 3.628 4.519 ( -4.452 0.000 6.138) 7.582 4.638 ( -5.666 0.000 -4.321) 7.126 4.750 ( 2.706 0.000 -7.615) 8.081 4.952 ( -0.159 0.000 -3.223) 3.227 5.075 ( -8.063 0.000 6.472) 10.339 5.083 ( -9.839 0.000 9.685) 13.806 5.108 ( -2.659 0.000 -2.854) 3.901 5.194 ( -6.882 0.000 1.289) 7.002 5.312 ( -8.120 0.000 -7.038) 10.745 5.512 ( -12.693 0.000 -10.601) 16.537 5.684 ( 4.394 0.000 0.120) 4.396 5.893 ( -7.753 0.000 10.322) 12.910 6.094 ( 0.109 0.000 7.624) 7.624 6.114 ( -4.397 0.000 -0.106) 4.398 6.405 ( -4.247 0.000 10.883) 11.682 6.454 ( 8.981 0.000 -9.001) 12.715 6.553 ( 0.985 0.000 -1.728) 1.989 6.608 ( -1.447 0.000 -3.621) 3.899 6.744 ( 2.221 0.000 2.697) 3.494 6.945 ( -12.800 0.000 8.630) 15.437 7.060 ( 5.770 0.000 -18.806) 19.671 7.155 ( -17.760 0.000 3.515) 18.105 7.326 ( 7.751 0.000 3.781) 8.624 7.431 ( 8.768 0.000 -8.144) 11.966 7.732 ( 1.679 0.000 3.423) 3.813 7.856 ( 3.246 0.000 5.479) 6.368 8.105 ( 14.380 0.000 -0.411) 14.386 8.285 ( -8.316 0.000 1.203) 8.402 8.303 ( 3.813 0.000 -2.133) 4.370 8.430 ( -0.129 0.000 10.514) 10.515 8.549 ( 22.072 0.000 -9.607) 24.072 8.883 ( 2.147 0.000 -7.850) 8.139 9.089 ( 9.858 0.000 7.112) 12.156 9.114 ( 2.133 0.000 -1.512) 2.615 9.584 ( 4.158 0.000 -7.749) 8.794 9.607 ( -7.433 0.000 9.614) 12.152 9.778 ( -0.020 0.000 1.197) 1.197 10.037 ( -1.271 0.000 -11.223) 11.295 10.086 ( -5.376 0.000 11.315) 12.527 10.233 ( -5.148 0.000 5.718) 7.694 10.363 ( -4.727 0.000 -1.377) 4.924 10.474 ( -7.996 0.000 -10.200) 12.960 10.620 ( 5.773 0.000 9.657) 11.251 10.703 ( 2.470 0.000 -10.612) 10.896 10.852 ( 11.226 0.000 -6.340) 12.892 10.900 ( 17.864 0.000 7.861) 19.517 11.013 ( 0.029 0.000 -0.639) 0.640 11.061 ( 1.019 0.000 -10.226) 10.276 11.513 ( -3.547 0.000 5.971) 6.945 11.718 ( 0.240 0.000 1.639) 1.656 11.864 ( -3.317 0.000 7.302) 8.021 12.056 ( -8.215 0.000 -5.976) 10.158 12.121 ( -7.487 0.000 -3.894) 8.439 12.165 ( 3.832 0.000 3.204) 4.995 12.396 ( 0.556 0.000 -1.865) 1.946 12.731 ( -2.844 0.000 -4.605) 5.413 12.874 ( -10.637 0.000 2.755) 10.988 12.992 ( 0.083 0.000 -3.525) 3.526 13.202 ( -2.205 0.000 2.954) 3.686 13.245 ( 2.887 0.000 -3.275) 4.366 13.414 ( -0.639 0.000 -3.469) 3.527 13.525 ( 14.395 0.000 5.267) 15.328 13.661 ( 3.328 0.000 -2.722) 4.299 13.769 ( 3.863 0.000 3.705) 5.352 13.985 ( -5.445 0.000 4.230) 6.895 14.265 ( 1.868 0.000 -4.731) 5.086 14.586 ( -0.399 0.000 -0.823) 0.914 14.653 ( 3.794 0.000 -1.450) 4.062 15.321 ( -17.071 0.000 15.449) 23.024 15.770 ( -18.324 0.000 -4.075) 18.772 16.222 ( -2.179 0.000 -1.706) 2.767 16.281 ( 1.513 0.000 -7.422) 7.574 16.568 ( 14.879 0.000 3.926) 15.388 16.785 ( 1.456 0.000 -2.696) 3.064 17.075 ( 11.421 0.000 8.148) 14.029 17.113 ( -4.845 0.000 -8.459) 9.748 17.919 ( 6.464 0.000 16.051) 17.304 18.118 ( -1.984 0.000 -15.565) 15.691 18.368 ( 10.469 0.000 10.798) 15.040 18.715 ( 9.994 0.000 -9.817) 14.009 19.239 ( 0.540 0.000 8.421) 8.439 19.430 ( -1.390 0.000 -8.112) 8.231 19.723 ( -6.550 0.000 -7.956) 10.305 19.859 ( -4.929 0.000 16.136) 16.872 20.039 ( 3.277 0.000 1.036) 3.437 20.100 ( -2.288 0.000 1.191) 2.580 20.229 ( -1.047 0.000 -2.834) 3.022 20.464 ( 5.004 0.000 -6.585) 8.270 20.956 ( -4.925 0.000 1.616) 5.184 21.022 ( -3.668 0.000 -1.569) 3.990 21.151 ( 4.162 0.000 6.829) 7.997 21.187 ( 2.360 0.000 -2.958) 3.784 21.377 ( 0.275 0.000 12.275) 12.278 21.455 ( 0.923 0.000 -11.409) 11.446 21.526 ( 9.495 0.000 7.748) 12.255 21.778 ( -2.766 0.000 -11.290) 11.624 22.878 ( -8.688 0.000 6.700) 10.972 22.919 ( -14.922 0.000 -7.854) 16.862 26.902 ( -0.316 0.000 -0.149) 0.349 26.915 ( -0.337 0.000 -0.870) 0.933 27.370 ( 1.183 0.000 1.146) 1.647 27.537 ( 4.692 0.000 -3.746) 6.004 27.672 ( 0.157 0.000 0.051) 0.165 27.682 ( 1.092 0.000 0.649) 1.271 27.981 ( 0.044 0.000 0.449) 0.452 27.995 ( 1.143 0.000 -0.470) 1.236 28.097 ( -6.417 0.000 4.640) 7.919 28.303 ( 3.640 0.000 -0.681) 3.703 28.429 ( -7.083 0.000 7.975) 10.666 28.668 ( -5.904 0.000 4.782) 7.597 28.678 ( -11.478 0.000 -3.580) 12.024 28.787 ( -5.308 0.000 -3.215) 6.206 28.851 ( 0.900 0.000 -4.066) 4.164 28.980 ( 0.436 0.000 3.310) 3.338 29.052 ( 4.296 0.000 -1.179) 4.455 29.130 ( 7.058 0.000 -1.119) 7.147 29.210 ( -0.896 0.000 2.662) 2.809 29.215 ( 0.016 0.000 0.502) 0.502 29.418 ( 0.255 0.000 11.226) 11.229 29.888 ( 3.302 0.000 10.292) 10.809 29.899 ( 1.127 0.000 -12.527) 12.578 30.089 ( 6.666 0.000 -3.950) 7.748 30.365 ( -1.784 0.000 1.412) 2.276 30.402 ( -3.847 0.000 -2.204) 4.434 31.050 ( -13.794 0.000 0.569) 13.806 31.337 ( -15.294 0.000 -2.379) 15.478 31.748 ( 6.748 0.000 9.990) 12.056 31.980 ( 6.691 0.000 5.867) 8.899 31.983 ( 4.858 0.000 -8.139) 9.479 32.186 ( 20.770 0.000 -14.744) 25.471 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 15.971 0.000 4.271) 16.532 1.519 ( 5.971 0.000 -4.545) 7.504 1.840 ( 5.143 0.000 3.195) 6.054 1.920 ( -9.001 0.000 -1.634) 9.148 2.043 ( -4.242 0.000 -0.156) 4.245 2.141 ( 4.453 0.000 -4.967) 6.671 2.247 ( 7.490 0.000 5.336) 9.196 2.359 ( -6.060 0.000 0.918) 6.129 2.409 ( 12.566 0.000 -4.636) 13.394 2.466 ( -9.212 0.000 -4.421) 10.218 2.633 ( -6.367 0.000 2.643) 6.894 2.669 ( 5.723 0.000 16.218) 17.199 2.705 ( -5.112 0.000 1.014) 5.212 2.994 ( -4.385 0.000 -8.834) 9.863 3.028 ( 5.659 0.000 19.530) 20.333 3.186 ( -9.473 0.000 3.564) 10.121 3.192 ( -1.093 0.000 10.319) 10.377 3.292 ( -0.028 0.000 -0.239) 0.241 3.341 ( 0.657 0.000 -6.155) 6.190 3.549 ( 2.641 0.000 -13.202) 13.464 3.607 ( 13.447 0.000 1.557) 13.536 3.739 ( 8.340 0.000 -9.881) 12.931 3.861 ( 6.242 0.000 -4.223) 7.537 3.937 ( 8.333 0.000 -3.659) 9.101 4.249 ( -8.738 0.000 12.346) 15.125 4.386 ( -3.414 0.000 11.611) 12.103 4.422 ( -10.150 0.000 -0.719) 10.176 4.546 ( 0.077 0.000 6.139) 6.140 4.779 ( -7.697 0.000 -16.652) 18.344 4.795 ( -18.127 0.000 -1.239) 18.169 4.857 ( 0.358 0.000 5.795) 5.806 4.982 ( -1.714 0.000 0.884) 1.928 5.028 ( 2.217 0.000 -1.093) 2.472 5.100 ( -5.601 0.000 0.258) 5.607 5.264 ( 0.901 0.000 -8.551) 8.598 5.372 ( -7.326 0.000 -11.685) 13.791 5.754 ( -1.775 0.000 12.243) 12.371 5.787 ( 5.952 0.000 6.200) 8.595 6.065 ( -2.522 0.000 2.020) 3.231 6.065 ( -2.553 0.000 2.032) 3.263 6.312 ( -4.386 0.000 6.831) 8.118 6.355 ( -11.846 0.000 -3.925) 12.479 6.416 ( -8.540 0.000 -5.347) 10.075 6.592 ( -0.214 0.000 -6.759) 6.763 6.896 ( 10.039 0.000 13.881) 17.131 6.969 ( -3.360 0.000 5.369) 6.334 7.032 ( 12.201 0.000 -11.366) 16.675 7.071 ( -1.732 0.000 -11.696) 11.824 7.425 ( -4.380 0.000 5.018) 6.661 7.510 ( 10.406 0.000 -0.291) 10.410 7.904 ( 11.395 0.000 0.456) 11.404 8.037 ( -14.182 0.000 0.260) 14.185 8.082 ( 10.949 0.000 -0.096) 10.949 8.134 ( -5.160 0.000 -8.739) 10.148 8.352 ( -1.377 0.000 15.272) 15.334 8.499 ( 9.964 0.000 -4.778) 11.050 8.890 ( 8.589 0.000 -4.885) 9.881 8.959 ( 4.759 0.000 -3.033) 5.643 9.149 ( 0.343 0.000 7.424) 7.431 9.225 ( 1.939 0.000 4.346) 4.759 9.497 ( -2.220 0.000 14.272) 14.444 9.741 ( 7.840 0.000 -17.418) 19.101 9.755 ( -0.616 0.000 6.649) 6.677 10.017 ( -1.638 0.000 6.141) 6.355 10.046 ( 4.436 0.000 -11.789) 12.596 10.156 ( -2.592 0.000 8.870) 9.242 10.279 ( -2.207 0.000 -7.255) 7.583 10.389 ( -2.165 0.000 -10.668) 10.886 10.705 ( 0.220 0.000 -6.164) 6.168 10.724 ( 2.560 0.000 10.656) 10.959 10.978 ( -3.928 0.000 1.127) 4.086 11.034 ( -2.642 0.000 -7.529) 7.979 11.110 ( 12.692 0.000 -9.110) 15.623 11.170 ( 7.309 0.000 7.595) 10.540 11.460 ( -1.310 0.000 3.772) 3.993 11.664 ( -5.266 0.000 0.820) 5.329 11.856 ( 1.643 0.000 3.470) 3.840 11.942 ( -4.610 0.000 2.310) 5.156 12.008 ( 2.219 0.000 -7.928) 8.232 12.197 ( -0.109 0.000 -0.772) 0.780 12.448 ( 2.161 0.000 -3.001) 3.697 12.524 ( -13.703 0.000 1.184) 13.754 12.659 ( -8.377 0.000 0.960) 8.432 12.874 ( -10.119 0.000 -0.515) 10.132 13.189 ( 1.272 0.000 3.075) 3.328 13.394 ( -1.572 0.000 -3.690) 4.011 13.522 ( 18.446 0.000 -6.664) 19.612 13.752 ( 5.867 0.000 -5.448) 8.006 13.765 ( 1.805 0.000 8.159) 8.356 13.838 ( 7.460 0.000 5.593) 9.324 13.874 ( -4.097 0.000 3.788) 5.579 14.242 ( -4.103 0.000 -3.922) 5.676 14.628 ( 5.139 0.000 -1.615) 5.387 14.758 ( 6.594 0.000 -0.866) 6.650 14.992 ( -14.893 0.000 11.443) 18.782 15.399 ( -18.793 0.000 -2.263) 18.929 16.217 ( 2.165 0.000 -0.135) 2.169 16.351 ( 5.194 0.000 -8.193) 9.701 16.622 ( -6.768 0.000 -0.263) 6.773 16.678 ( -9.413 0.000 4.085) 10.261 17.251 ( 16.228 0.000 1.624) 16.309 17.405 ( 18.900 0.000 6.173) 19.883 17.974 ( -1.755 0.000 8.511) 8.690 18.042 ( -6.674 0.000 -13.244) 14.831 18.653 ( 17.759 0.000 7.497) 19.276 18.989 ( 17.486 0.000 -6.156) 18.538 19.240 ( -0.653 0.000 7.572) 7.600 19.381 ( -3.093 0.000 -6.949) 7.606 19.534 ( -12.821 0.000 -10.211) 16.391 19.632 ( -16.754 0.000 10.270) 19.651 20.080 ( -1.331 0.000 3.404) 3.655 20.112 ( 2.806 0.000 -3.029) 4.129 20.259 ( 4.265 0.000 2.441) 4.914 20.466 ( -3.409 0.000 -2.744) 4.376 20.897 ( -0.334 0.000 0.893) 0.953 20.948 ( -3.234 0.000 0.184) 3.239 21.210 ( 1.759 0.000 9.878) 10.033 21.300 ( 8.194 0.000 -3.144) 8.776 21.320 ( -3.733 0.000 13.745) 14.243 21.530 ( 5.804 0.000 -12.169) 13.483 21.717 ( -0.947 0.000 -8.693) 8.744 21.850 ( 19.557 0.000 -2.076) 19.667 22.554 ( -20.969 0.000 -8.508) 22.629 22.625 ( -16.465 0.000 5.469) 17.349 26.897 ( -0.172 0.000 -0.257) 0.309 26.907 ( -0.405 0.000 -0.769) 0.869 27.423 ( 3.939 0.000 0.093) 3.940 27.567 ( -2.314 0.000 0.088) 2.316 27.681 ( 0.652 0.000 0.324) 0.728 27.704 ( 1.007 0.000 -0.530) 1.138 27.966 ( -2.227 0.000 0.802) 2.367 27.976 ( -0.683 0.000 0.582) 0.897 28.082 ( 4.374 0.000 5.065) 6.692 28.370 ( 0.574 0.000 4.112) 4.152 28.374 ( 3.572 0.000 0.213) 3.579 28.461 ( -9.962 0.000 -3.633) 10.604 28.557 ( -4.895 0.000 1.765) 5.204 28.642 ( -7.711 0.000 -2.868) 8.227 28.904 ( 3.335 0.000 -3.245) 4.653 28.960 ( -2.469 0.000 3.460) 4.250 29.113 ( 2.126 0.000 0.953) 2.330 29.189 ( -0.652 0.000 0.360) 0.744 29.229 ( 2.279 0.000 5.830) 6.260 29.277 ( 5.471 0.000 -2.448) 5.994 29.475 ( 3.648 0.000 8.910) 9.628 29.859 ( -3.578 0.000 -12.413) 12.918 29.967 ( 4.728 0.000 9.908) 10.978 30.223 ( 5.315 0.000 -2.955) 6.081 30.318 ( -4.076 0.000 -0.851) 4.164 30.320 ( -3.002 0.000 -1.304) 3.273 30.859 ( -4.752 0.000 -2.719) 5.475 31.063 ( -12.624 0.000 0.663) 12.641 31.861 ( 4.019 0.000 12.969) 13.577 32.104 ( 6.967 0.000 -11.904) 13.793 32.112 ( 6.096 0.000 8.218) 10.232 32.442 ( 5.833 0.000 -15.798) 16.841 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -1.405 0.000 -1.716) 2.217 1.596 ( -0.873 0.000 -7.943) 7.991 1.761 ( 3.368 0.000 0.555) 3.413 1.812 ( -0.670 0.000 -5.038) 5.082 2.160 ( 11.110 0.000 3.901) 11.775 2.173 ( -8.889 0.000 4.821) 10.112 2.237 ( 4.276 0.000 -2.369) 4.889 2.261 ( -7.597 0.000 -3.606) 8.409 2.436 ( 5.929 0.000 6.533) 8.822 2.518 ( -4.646 0.000 2.644) 5.346 2.550 ( -8.867 0.000 5.006) 10.183 2.624 ( 6.944 0.000 2.016) 7.231 2.910 ( -13.964 0.000 4.956) 14.817 2.922 ( 15.536 0.000 5.024) 16.328 2.978 ( -6.889 0.000 0.404) 6.901 3.059 ( 6.954 0.000 -1.764) 7.174 3.230 ( 2.358 0.000 9.523) 9.811 3.253 ( -2.497 0.000 4.148) 4.841 3.365 ( 1.769 0.000 -7.761) 7.960 3.523 ( -2.562 0.000 -11.558) 11.839 3.882 ( -9.181 0.000 2.197) 9.441 3.882 ( -1.237 0.000 1.753) 2.145 3.979 ( 7.315 0.000 1.271) 7.425 3.989 ( 6.298 0.000 8.823) 10.840 4.128 ( 0.570 0.000 1.660) 1.755 4.281 ( 2.204 0.000 -0.904) 2.382 4.338 ( -0.024 0.000 -6.053) 6.053 4.411 ( -5.167 0.000 -12.411) 13.444 4.645 ( 2.139 0.000 14.774) 14.928 4.765 ( -5.625 0.000 13.436) 14.566 4.800 ( 5.663 0.000 3.943) 6.900 4.953 ( -1.484 0.000 -7.518) 7.663 4.982 ( -2.813 0.000 0.244) 2.824 5.119 ( -4.647 0.000 -12.880) 13.693 5.251 ( -1.787 0.000 -7.343) 7.557 5.278 ( 5.747 0.000 -9.290) 10.924 5.843 ( 7.998 0.000 7.985) 11.301 5.909 ( 6.107 0.000 8.118) 10.158 5.984 ( -2.195 0.000 0.036) 2.195 6.051 ( -0.311 0.000 5.658) 5.667 6.155 ( -8.483 0.000 -8.056) 11.699 6.251 ( -2.030 0.000 4.284) 4.740 6.356 ( 1.570 0.000 -2.447) 2.907 6.612 ( 3.106 0.000 -10.695) 11.137 6.883 ( -3.898 0.000 5.006) 6.345 6.992 ( -1.475 0.000 -6.672) 6.833 7.005 ( -3.857 0.000 10.967) 11.626 7.271 ( 6.434 0.000 -11.460) 13.143 7.424 ( 4.713 0.000 15.465) 16.167 7.708 ( 5.818 0.000 -10.449) 11.959 7.819 ( -5.354 0.000 0.749) 5.406 7.917 ( -6.623 0.000 -6.907) 9.570 8.083 ( 1.499 0.000 2.330) 2.770 8.123 ( -3.674 0.000 -0.781) 3.756 8.395 ( 0.411 0.000 12.617) 12.624 8.697 ( 7.984 0.000 -14.678) 16.709 8.938 ( -6.940 0.000 3.031) 7.573 8.978 ( 2.357 0.000 -0.196) 2.365 9.132 ( -0.298 0.000 7.531) 7.537 9.233 ( 2.250 0.000 1.463) 2.684 9.447 ( -5.363 0.000 15.681) 16.573 9.819 ( 5.175 0.000 9.908) 11.178 9.825 ( 2.016 0.000 -16.284) 16.408 10.007 ( -0.994 0.000 5.819) 5.904 10.127 ( 1.673 0.000 -10.220) 10.356 10.147 ( 2.740 0.000 10.403) 10.758 10.211 ( -5.466 0.000 -16.733) 17.603 10.379 ( -0.229 0.000 -10.950) 10.952 10.654 ( -7.481 0.000 11.376) 13.616 10.824 ( 9.799 0.000 -7.224) 12.174 10.903 ( -2.728 0.000 2.077) 3.429 10.945 ( -2.869 0.000 -0.697) 2.953 11.141 ( -8.694 0.000 5.571) 10.326 11.352 ( 10.469 0.000 -8.828) 13.695 11.511 ( 6.055 0.000 3.098) 6.801 11.533 ( -6.836 0.000 -0.749) 6.877 11.893 ( 1.177 0.000 3.568) 3.757 11.900 ( 0.172 0.000 1.251) 1.263 12.121 ( -9.901 0.000 -1.046) 9.956 12.184 ( 5.782 0.000 -3.616) 6.820 12.337 ( 2.857 0.000 0.750) 2.954 12.412 ( 1.481 0.000 -4.325) 4.571 12.674 ( -8.999 0.000 0.970) 9.052 12.698 ( 8.498 0.000 -1.927) 8.714 13.242 ( 3.473 0.000 4.283) 5.514 13.336 ( -3.967 0.000 -4.103) 5.707 13.641 ( -10.255 0.000 7.234) 12.550 13.768 ( -6.360 0.000 6.240) 8.910 13.819 ( 10.108 0.000 -8.017) 12.901 13.883 ( 7.298 0.000 -4.248) 8.444 14.032 ( 7.983 0.000 4.844) 9.338 14.120 ( -7.964 0.000 -3.309) 8.624 14.703 ( -9.056 0.000 5.136) 10.411 14.783 ( 9.283 0.000 -2.637) 9.650 14.988 ( 11.446 0.000 5.032) 12.503 15.071 ( -12.677 0.000 -1.767) 12.800 16.283 ( 2.269 0.000 2.365) 3.278 16.371 ( -5.708 0.000 -5.220) 7.735 16.514 ( -4.237 0.000 2.900) 5.134 16.584 ( 6.919 0.000 -2.904) 7.504 17.550 ( 12.327 0.000 6.687) 14.024 17.643 ( -3.543 0.000 0.070) 3.544 17.847 ( -11.109 0.000 1.075) 11.160 17.932 ( 3.782 0.000 -5.896) 7.005 18.990 ( 12.313 0.000 10.464) 16.158 19.172 ( -16.902 0.000 -5.360) 17.731 19.203 ( -7.651 0.000 10.682) 13.140 19.282 ( -9.740 0.000 1.601) 9.871 19.315 ( 9.456 0.000 -3.136) 9.962 19.463 ( 10.910 0.000 -12.459) 16.560 20.063 ( 0.138 0.000 3.573) 3.575 20.147 ( -0.205 0.000 -3.972) 3.977 20.331 ( 2.887 0.000 3.230) 4.333 20.420 ( -0.081 0.000 -4.255) 4.256 20.904 ( -1.243 0.000 1.035) 1.618 20.917 ( 1.661 0.000 0.129) 1.666 21.185 ( -3.869 0.000 14.516) 15.023 21.308 ( 2.137 0.000 11.694) 11.887 21.448 ( 4.529 0.000 -8.213) 9.379 21.521 ( -2.621 0.000 -7.151) 7.616 21.907 ( 14.988 0.000 -3.048) 15.295 21.946 ( -19.511 0.000 -6.532) 20.575 22.295 ( -14.136 0.000 3.087) 14.469 22.401 ( 14.988 0.000 -6.346) 16.276 26.896 ( 0.092 0.000 -0.226) 0.244 26.901 ( -0.164 0.000 -0.744) 0.762 27.486 ( -4.690 0.000 2.431) 5.283 27.504 ( 3.559 0.000 0.461) 3.589 27.694 ( 0.560 0.000 0.383) 0.679 27.711 ( -0.337 0.000 -1.226) 1.271 27.943 ( -0.671 0.000 3.831) 3.890 27.948 ( -2.130 0.000 1.957) 2.893 28.215 ( 8.714 0.000 0.905) 8.761 28.305 ( -5.228 0.000 -5.477) 7.572 28.418 ( 2.425 0.000 2.273) 3.324 28.453 ( 4.033 0.000 -0.338) 4.048 28.494 ( -0.239 0.000 -0.297) 0.381 28.522 ( -3.479 0.000 -3.411) 4.873 28.895 ( -3.989 0.000 4.106) 5.725 28.966 ( 2.916 0.000 -1.935) 3.499 29.148 ( 1.702 0.000 1.781) 2.463 29.171 ( -1.164 0.000 -1.090) 1.594 29.261 ( -0.084 0.000 5.726) 5.726 29.342 ( 0.718 0.000 -2.142) 2.259 29.536 ( 2.898 0.000 8.690) 9.161 29.789 ( -3.076 0.000 -12.377) 12.753 30.077 ( 6.558 0.000 9.122) 11.235 30.245 ( -3.826 0.000 -4.061) 5.580 30.258 ( -2.290 0.000 0.223) 2.300 30.291 ( 1.797 0.000 -4.837) 5.160 30.856 ( -8.266 0.000 1.694) 8.438 30.867 ( 4.735 0.000 0.994) 4.838 31.897 ( -0.312 0.000 12.152) 12.156 32.191 ( 1.316 0.000 10.345) 10.428 32.215 ( 3.692 0.000 -16.115) 16.532 32.446 ( -4.264 0.000 -12.292) 13.011 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -12.216 0.000 9.418) 15.425 1.529 ( -1.442 0.000 -15.600) 15.667 1.819 ( -7.409 0.000 8.650) 11.389 1.969 ( 8.783 0.000 -3.707) 9.533 2.024 ( 0.527 0.000 2.884) 2.932 2.125 ( -4.699 0.000 -5.973) 7.600 2.288 ( -10.644 0.000 4.851) 11.698 2.354 ( 5.996 0.000 -4.285) 7.370 2.411 ( -8.081 0.000 -4.156) 9.088 2.418 ( 13.396 0.000 0.808) 13.420 2.618 ( 6.059 0.000 1.148) 6.167 2.640 ( -8.768 0.000 12.387) 15.176 2.742 ( 5.192 0.000 10.091) 11.348 2.896 ( 0.361 0.000 -2.985) 3.007 3.038 ( -4.565 0.000 18.498) 19.053 3.214 ( 5.611 0.000 2.554) 6.165 3.232 ( 0.035 0.000 2.107) 2.108 3.291 ( 1.903 0.000 4.136) 4.552 3.418 ( 2.928 0.000 -12.669) 13.003 3.491 ( -0.863 0.000 -12.402) 12.432 3.596 ( -10.435 0.000 -0.580) 10.451 3.737 ( -10.358 0.000 -5.459) 11.708 3.860 ( -8.771 0.000 -2.676) 9.170 3.945 ( -9.369 0.000 -5.066) 10.651 4.259 ( 2.133 0.000 22.271) 22.373 4.372 ( 10.357 0.000 -4.163) 11.163 4.467 ( 2.294 0.000 1.411) 2.693 4.613 ( 14.245 0.000 2.037) 14.390 4.706 ( 13.044 0.000 -0.553) 13.056 4.785 ( -3.935 0.000 -2.910) 4.894 4.851 ( 10.700 0.000 6.248) 12.391 4.927 ( -0.866 0.000 -10.701) 10.736 5.004 ( -2.580 0.000 2.847) 3.842 5.099 ( 9.410 0.000 7.153) 11.820 5.220 ( 0.086 0.000 -6.395) 6.395 5.382 ( 1.273 0.000 -11.861) 11.930 5.958 ( 3.342 0.000 0.498) 3.379 5.971 ( -1.086 0.000 -3.516) 3.679 6.044 ( 2.645 0.000 0.430) 2.679 6.087 ( 5.674 0.000 7.065) 9.061 6.101 ( 8.487 0.000 -5.013) 9.857 6.227 ( -0.754 0.000 11.789) 11.813 6.418 ( 3.318 0.000 2.142) 3.949 6.705 ( 5.665 0.000 -12.495) 13.719 6.819 ( -0.097 0.000 5.010) 5.011 6.894 ( -3.713 0.000 5.155) 6.353 7.021 ( 2.872 0.000 -4.177) 5.069 7.233 ( -8.836 0.000 -11.799) 14.741 7.472 ( -0.293 0.000 7.547) 7.552 7.552 ( -12.418 0.000 -7.250) 14.379 7.856 ( 2.089 0.000 2.952) 3.616 7.975 ( -6.667 0.000 3.925) 7.736 8.012 ( -5.366 0.000 3.185) 6.240 8.059 ( 8.913 0.000 -0.964) 8.965 8.385 ( 0.209 0.000 5.643) 5.647 8.727 ( -7.249 0.000 -5.066) 8.844 8.765 ( -6.278 0.000 -5.096) 8.085 8.879 ( -11.195 0.000 2.076) 11.386 9.209 ( -14.880 0.000 8.638) 17.205 9.251 ( 8.773 0.000 3.674) 9.512 9.402 ( 8.720 0.000 5.826) 10.488 9.786 ( -6.470 0.000 -12.073) 13.697 9.813 ( -2.744 0.000 7.701) 8.175 10.034 ( -5.656 0.000 -17.408) 18.304 10.066 ( 6.840 0.000 8.634) 11.015 10.220 ( 3.360 0.000 9.555) 10.129 10.243 ( 6.045 0.000 -10.712) 12.300 10.357 ( -1.055 0.000 -10.685) 10.737 10.609 ( 1.862 0.000 4.451) 4.825 10.811 ( -7.521 0.000 9.316) 11.973 10.857 ( -0.803 0.000 -2.722) 2.838 10.949 ( -8.376 0.000 3.257) 8.987 10.982 ( -1.681 0.000 -1.122) 2.021 11.431 ( -6.420 0.000 -12.504) 14.056 11.497 ( 4.444 0.000 1.011) 4.557 11.620 ( 3.781 0.000 5.998) 7.090 11.840 ( -4.326 0.000 6.889) 8.135 11.906 ( 1.286 0.000 -1.676) 2.113 12.012 ( 2.844 0.000 -4.457) 5.287 12.213 ( 3.898 0.000 -1.921) 4.346 12.480 ( -1.697 0.000 -4.419) 4.733 12.522 ( 6.506 0.000 2.150) 6.852 12.686 ( 14.630 0.000 -1.340) 14.692 12.875 ( 8.568 0.000 -1.850) 8.765 13.263 ( -2.673 0.000 -3.722) 4.583 13.299 ( 1.870 0.000 4.870) 5.216 13.391 ( -14.390 0.000 4.437) 15.058 13.661 ( -3.366 0.000 2.693) 4.311 13.877 ( -10.578 0.000 -0.729) 10.603 13.926 ( 0.388 0.000 -4.632) 4.648 14.030 ( 1.817 0.000 -8.715) 8.903 14.145 ( 3.439 0.000 4.977) 6.049 14.584 ( -3.174 0.000 2.486) 4.032 14.748 ( -7.787 0.000 -0.070) 7.787 15.169 ( 17.777 0.000 -3.805) 18.180 15.243 ( 13.861 0.000 10.976) 17.681 16.239 ( -3.502 0.000 2.560) 4.338 16.262 ( -3.866 0.000 -5.026) 6.341 16.592 ( 8.872 0.000 1.510) 9.000 16.750 ( 7.132 0.000 -1.908) 7.383 17.332 ( -21.266 0.000 -4.196) 21.676 17.558 ( -15.674 0.000 -7.953) 17.576 17.720 ( 4.048 0.000 13.744) 14.327 18.129 ( 10.213 0.000 -4.156) 11.026 18.732 ( -21.927 0.000 15.496) 26.850 18.833 ( -16.407 0.000 -8.351) 18.410 19.243 ( 2.046 0.000 7.735) 8.001 19.373 ( 12.085 0.000 3.546) 12.594 19.399 ( 2.673 0.000 -7.108) 7.594 19.786 ( 16.626 0.000 -5.090) 17.388 20.087 ( 2.463 0.000 0.493) 2.512 20.126 ( -0.776 0.000 -1.295) 1.510 20.362 ( -0.539 0.000 5.743) 5.768 20.421 ( -2.181 0.000 -10.501) 10.725 20.912 ( 2.580 0.000 -0.764) 2.691 20.953 ( 1.951 0.000 -0.176) 1.959 21.131 ( -0.566 0.000 14.175) 14.186 21.306 ( -7.393 0.000 8.028) 10.913 21.374 ( -5.803 0.000 -4.880) 7.582 21.542 ( -12.495 0.000 3.186) 12.895 21.606 ( 5.074 0.000 -11.018) 12.130 21.855 ( -12.815 0.000 -1.850) 12.947 22.421 ( 19.387 0.000 3.121) 19.637 22.752 ( 17.348 0.000 -5.521) 18.205 26.900 ( 0.272 0.000 -0.114) 0.294 26.901 ( 0.201 0.000 -0.738) 0.765 27.411 ( -2.690 0.000 1.399) 3.033 27.524 ( -1.966 0.000 3.017) 3.601 27.696 ( -1.059 0.000 -1.012) 1.465 27.700 ( 0.042 0.000 0.040) 0.058 27.920 ( 0.006 0.000 2.216) 2.216 27.935 ( -0.132 0.000 4.274) 4.276 28.239 ( -2.147 0.000 -6.231) 6.590 28.363 ( 1.053 0.000 1.689) 1.991 28.434 ( 5.851 0.000 -1.543) 6.051 28.499 ( 3.514 0.000 -6.869) 7.716 28.580 ( 7.150 0.000 -0.603) 7.175 28.589 ( 7.800 0.000 1.895) 8.027 28.814 ( -4.149 0.000 4.325) 5.993 29.015 ( 2.109 0.000 -0.967) 2.321 29.134 ( -2.910 0.000 -1.508) 3.278 29.177 ( 0.001 0.000 3.261) 3.261 29.217 ( -2.860 0.000 1.945) 3.458 29.308 ( -3.614 0.000 -2.042) 4.151 29.600 ( 3.433 0.000 9.838) 10.420 29.737 ( -2.502 0.000 -12.924) 13.164 30.171 ( -3.103 0.000 1.568) 3.477 30.173 ( -3.438 0.000 -7.598) 8.339 30.252 ( 6.530 0.000 5.740) 8.694 30.324 ( 2.013 0.000 -2.651) 3.328 30.777 ( 1.562 0.000 3.727) 4.041 31.008 ( 9.036 0.000 5.564) 10.612 31.864 ( -2.657 0.000 9.414) 9.781 32.146 ( -6.350 0.000 10.836) 12.560 32.212 ( -4.702 0.000 -17.811) 18.421 32.312 ( -8.559 0.000 -10.163) 13.287 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -4.600 0.000 20.809) 21.311 1.557 ( -3.731 0.000 3.068) 4.830 1.620 ( -2.095 0.000 -3.258) 3.874 1.921 ( -10.850 0.000 -2.819) 11.210 2.073 ( -1.787 0.000 -0.332) 1.818 2.086 ( -4.111 0.000 -1.380) 4.336 2.165 ( 1.021 0.000 1.992) 2.239 2.269 ( 1.024 0.000 -1.616) 1.913 2.495 ( 5.795 0.000 -4.659) 7.436 2.584 ( -0.209 0.000 15.281) 15.282 2.630 ( 3.661 0.000 -2.484) 4.424 2.679 ( 4.030 0.000 1.756) 4.396 2.767 ( -3.537 0.000 22.609) 22.884 2.980 ( 2.108 0.000 10.649) 10.856 3.014 ( 10.742 0.000 -8.139) 13.477 3.198 ( -0.966 0.000 2.072) 2.286 3.291 ( 2.966 0.000 2.763) 4.053 3.298 ( -1.918 0.000 6.617) 6.889 3.422 ( -2.781 0.000 -12.117) 12.432 3.447 ( -3.503 0.000 -20.187) 20.489 3.500 ( -1.959 0.000 -8.390) 8.616 3.578 ( -3.766 0.000 -19.185) 19.551 3.744 ( -3.212 0.000 -0.646) 3.277 3.808 ( -4.904 0.000 -2.288) 5.412 4.177 ( -6.447 0.000 25.089) 25.904 4.494 ( 1.786 0.000 2.196) 2.831 4.530 ( -2.066 0.000 4.561) 5.007 4.606 ( 1.096 0.000 -2.875) 3.076 4.848 ( -0.543 0.000 -19.005) 19.013 4.887 ( -3.458 0.000 4.650) 5.795 4.984 ( 11.529 0.000 2.825) 11.870 5.115 ( 16.369 0.000 1.833) 16.471 5.168 ( 10.147 0.000 6.520) 12.062 5.180 ( 5.472 0.000 14.051) 15.079 5.281 ( 3.699 0.000 -3.183) 4.880 5.401 ( 4.809 0.000 -14.530) 15.305 5.869 ( -4.865 0.000 -12.546) 13.456 6.030 ( -2.978 0.000 4.852) 5.693 6.138 ( 4.627 0.000 1.824) 4.974 6.155 ( 4.482 0.000 1.587) 4.755 6.262 ( 1.339 0.000 -1.442) 1.968 6.316 ( 15.279 0.000 10.437) 18.504 6.465 ( 1.863 0.000 6.545) 6.804 6.743 ( -6.798 0.000 7.435) 10.074 6.797 ( 2.228 0.000 -13.960) 14.137 6.844 ( -18.304 0.000 -2.969) 18.543 7.153 ( 26.101 0.000 -7.314) 27.107 7.223 ( 1.778 0.000 0.170) 1.786 7.329 ( -2.888 0.000 -3.771) 4.750 7.381 ( -7.323 0.000 0.089) 7.324 7.742 ( -4.299 0.000 2.908) 5.191 7.859 ( -5.093 0.000 3.115) 5.970 8.084 ( 8.908 0.000 2.633) 9.289 8.216 ( -10.742 0.000 9.910) 14.616 8.330 ( -9.529 0.000 -4.913) 10.721 8.334 ( -12.222 0.000 -0.461) 12.230 8.637 ( -9.507 0.000 8.653) 12.855 8.817 ( 4.107 0.000 -15.626) 16.156 8.907 ( -10.615 0.000 13.292) 17.011 9.324 ( -3.757 0.000 -6.029) 7.104 9.581 ( 7.930 0.000 -4.980) 9.364 9.644 ( -5.207 0.000 -2.485) 5.769 9.800 ( -0.139 0.000 9.513) 9.514 9.994 ( 1.127 0.000 -14.045) 14.090 10.228 ( 9.071 0.000 9.453) 13.101 10.281 ( 3.444 0.000 12.158) 12.637 10.332 ( 2.369 0.000 -4.325) 4.931 10.421 ( 8.772 0.000 -15.015) 17.390 10.508 ( -10.699 0.000 3.415) 11.231 10.693 ( -6.690 0.000 8.109) 10.512 10.784 ( -6.960 0.000 -7.462) 10.205 10.902 ( 3.855 0.000 2.586) 4.642 10.937 ( -2.279 0.000 3.409) 4.100 11.164 ( -15.331 0.000 -11.011) 18.875 11.592 ( 4.304 0.000 0.112) 4.306 11.642 ( -1.291 0.000 7.495) 7.606 11.856 ( 3.855 0.000 8.924) 9.721 12.000 ( 7.952 0.000 -4.418) 9.097 12.107 ( 3.870 0.000 -0.276) 3.880 12.308 ( 4.012 0.000 -7.672) 8.657 12.440 ( -0.641 0.000 -5.429) 5.467 12.561 ( -4.250 0.000 8.433) 9.443 12.950 ( 9.320 0.000 -4.029) 10.154 12.993 ( 3.057 0.000 -3.439) 4.601 13.180 ( -3.377 0.000 2.584) 4.252 13.262 ( 2.950 0.000 -2.413) 3.811 13.328 ( 0.489 0.000 4.266) 4.294 13.641 ( -11.781 0.000 -4.645) 12.664 13.646 ( 1.335 0.000 -1.073) 1.713 13.810 ( -9.940 0.000 -0.340) 9.946 14.103 ( 4.568 0.000 -6.134) 7.648 14.153 ( -2.556 0.000 5.200) 5.794 14.569 ( 1.054 0.000 0.815) 1.332 14.651 ( -2.620 0.000 -1.332) 2.939 15.494 ( 10.546 0.000 16.921) 19.938 15.558 ( 21.045 0.000 -3.462) 21.328 16.230 ( 2.399 0.000 0.242) 2.411 16.232 ( 0.608 0.000 -5.339) 5.373 16.725 ( 0.217 0.000 -6.291) 6.295 16.726 ( -12.367 0.000 0.780) 12.391 16.969 ( -10.139 0.000 1.427) 10.239 17.329 ( -5.023 0.000 -12.589) 13.554 17.762 ( 0.776 0.000 14.585) 14.606 18.247 ( 0.418 0.000 -12.301) 12.308 18.372 ( -13.506 0.000 19.334) 23.584 18.592 ( -6.103 0.000 -8.084) 10.129 19.255 ( -0.715 0.000 8.307) 8.337 19.429 ( 0.349 0.000 -9.154) 9.161 19.583 ( 9.525 0.000 5.854) 11.180 20.026 ( 4.861 0.000 -0.590) 4.896 20.133 ( 2.319 0.000 -1.639) 2.840 20.156 ( 4.208 0.000 -2.219) 4.757 20.272 ( -10.307 0.000 -12.150) 15.933 20.287 ( -6.914 0.000 7.861) 10.469 20.994 ( 2.198 0.000 1.102) 2.458 20.998 ( 5.053 0.000 -2.326) 5.562 21.095 ( -6.853 0.000 7.575) 10.215 21.185 ( 5.373 0.000 10.529) 11.821 21.273 ( -4.560 0.000 -3.456) 5.722 21.493 ( 0.752 0.000 13.875) 13.896 21.573 ( -6.768 0.000 -6.846) 9.627 21.763 ( 2.495 0.000 -11.385) 11.655 22.764 ( 14.206 0.000 5.752) 15.326 23.022 ( 9.652 0.000 -5.856) 11.289 26.905 ( 0.224 0.000 0.004) 0.224 26.908 ( 0.501 0.000 -0.772) 0.920 27.390 ( 0.643 0.000 -0.331) 0.723 27.451 ( -4.460 0.000 3.723) 5.810 27.675 ( -0.885 0.000 -0.116) 0.892 27.692 ( -0.843 0.000 -0.175) 0.861 27.941 ( 0.818 0.000 3.648) 3.738 27.946 ( 1.949 0.000 2.516) 3.182 28.215 ( -0.124 0.000 -5.081) 5.082 28.309 ( -4.031 0.000 -0.699) 4.091 28.599 ( 8.160 0.000 3.849) 9.022 28.617 ( 7.547 0.000 -8.096) 11.068 28.715 ( -2.037 0.000 3.238) 3.825 28.744 ( 8.894 0.000 -2.186) 9.158 28.777 ( 6.736 0.000 1.289) 6.858 29.044 ( -0.507 0.000 -2.541) 2.591 29.053 ( -4.416 0.000 -0.647) 4.463 29.090 ( -5.989 0.000 2.753) 6.591 29.224 ( 0.982 0.000 -0.020) 0.982 29.229 ( -3.586 0.000 -0.050) 3.586 29.651 ( 0.773 0.000 9.540) 9.571 29.702 ( 0.049 0.000 -13.297) 13.297 30.013 ( -11.563 0.000 1.831) 11.707 30.109 ( -3.137 0.000 -9.079) 9.606 30.368 ( 2.017 0.000 0.165) 2.023 30.389 ( 5.132 0.000 -0.011) 5.132 30.992 ( 21.691 0.000 5.981) 22.500 31.192 ( 8.994 0.000 10.062) 13.496 31.811 ( -3.210 0.000 6.990) 7.692 31.957 ( -11.358 0.000 6.873) 13.275 32.033 ( -12.933 0.000 -14.808) 19.660 32.127 ( -9.955 0.000 -8.223) 12.912 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -2.808 17.395 21.679) 27.936 1.500 ( 0.270 8.425 23.187) 24.672 1.792 ( 1.841 9.083 -19.730) 21.798 1.878 ( -0.966 6.989 -3.031) 7.679 2.056 ( 0.458 2.094 2.500) 3.293 2.092 ( 0.152 -0.052 -2.575) 2.580 2.196 ( -2.427 2.452 -0.845) 3.552 2.298 ( 0.812 -0.558 -4.484) 4.591 2.484 ( 0.706 -5.120 6.815) 8.553 2.504 ( -1.536 -6.153 0.831) 6.396 2.590 ( 2.206 -2.528 2.640) 4.270 2.637 ( 1.645 -6.143 2.456) 6.818 2.863 ( 0.873 5.403 15.576) 16.510 2.969 ( -3.639 -2.765 5.221) 6.939 3.080 ( 2.537 -8.939 3.660) 9.987 3.109 ( -0.856 -5.477 0.142) 5.545 3.247 ( -1.456 -4.670 -2.654) 5.565 3.348 ( -0.725 -0.684 -9.503) 9.555 3.401 ( -0.338 6.413 -6.223) 8.942 3.462 ( 3.694 5.830 -7.198) 9.972 3.571 ( -3.007 9.663 -12.573) 16.140 3.592 ( 2.619 2.474 -17.868) 18.227 3.796 ( -2.135 5.269 -0.455) 5.703 3.826 ( 1.929 6.771 -2.730) 7.551 4.076 ( 1.473 -2.839 23.809) 24.023 4.475 ( -1.385 -1.517 -5.054) 5.456 4.571 ( -0.109 4.153 1.753) 4.509 4.670 ( -4.064 -1.505 -3.228) 5.404 4.788 ( 4.154 0.920 11.141) 11.926 4.899 ( -0.235 4.614 -1.822) 4.967 4.997 ( 0.320 -3.300 -3.731) 4.991 5.166 ( 0.859 -1.492 -9.298) 9.456 5.207 ( 4.090 0.392 7.849) 8.860 5.341 ( -6.097 0.489 -6.059) 8.609 5.539 ( -0.494 10.730 12.998) 16.862 5.690 ( -4.417 -0.340 7.178) 8.435 5.812 ( 10.417 1.870 5.213) 11.797 5.943 ( 2.649 1.712 -9.167) 9.694 6.038 ( -4.767 -6.319 -0.426) 7.927 6.173 ( -4.777 2.813 -6.357) 8.435 6.388 ( 7.573 -3.623 1.007) 8.455 6.405 ( -6.819 -1.628 0.494) 7.028 6.448 ( 7.234 -2.062 3.993) 8.516 6.519 ( -13.733 -3.694 -0.044) 14.221 6.637 ( 3.196 -1.711 6.672) 7.593 6.789 ( 5.179 -7.923 -6.042) 11.230 7.106 ( -2.894 -3.437 7.658) 8.878 7.258 ( 5.266 0.532 -2.777) 5.976 7.455 ( -13.854 4.347 5.734) 15.612 7.631 ( -17.467 1.964 -0.845) 17.598 7.735 ( 10.197 -2.562 -6.357) 12.286 7.811 ( 22.036 -2.048 -4.461) 22.576 8.036 ( -0.858 10.635 4.315) 11.509 8.121 ( -5.489 11.800 -4.457) 13.756 8.287 ( 5.560 -0.733 2.821) 6.278 8.302 ( -3.645 -1.175 -1.976) 4.309 8.473 ( 0.437 -1.022 5.649) 5.757 8.741 ( 2.472 -9.509 -14.407) 17.439 8.992 ( 1.560 10.319 11.045) 15.196 9.211 ( -1.507 3.249 -4.573) 5.809 9.557 ( -2.137 -2.481 -0.661) 3.340 9.668 ( 1.902 -5.365 -8.535) 10.259 9.838 ( -6.515 3.687 7.145) 10.348 9.969 ( 4.931 -7.861 -4.405) 10.272 10.131 ( -3.689 -4.666 10.205) 11.812 10.259 ( -5.098 -6.159 1.115) 8.073 10.360 ( 1.758 -1.743 -0.109) 2.478 10.448 ( 7.637 -4.001 -2.618) 9.010 10.542 ( 5.799 1.962 5.592) 8.291 10.706 ( -11.879 -0.731 -4.902) 12.871 10.783 ( 3.020 6.611 -3.147) 7.921 10.813 ( 2.204 8.189 -6.951) 10.965 10.995 ( 1.738 1.226 0.611) 2.213 11.038 ( -0.807 -0.586 -3.646) 3.780 11.574 ( -1.559 -0.758 6.115) 6.355 11.674 ( 1.779 0.596 -1.378) 2.327 11.928 ( 2.795 -0.101 11.515) 11.850 12.105 ( -2.673 -1.019 -0.377) 2.885 12.178 ( 3.300 2.736 -2.187) 4.813 12.244 ( -6.965 -0.836 -7.890) 10.558 12.388 ( -5.567 -3.933 1.605) 7.003 12.477 ( 10.098 -6.973 -5.255) 13.350 12.903 ( -1.364 -6.195 0.796) 6.393 12.935 ( -0.654 -4.526 -2.155) 5.055 13.195 ( 6.345 -4.472 2.206) 8.069 13.230 ( -7.795 -9.104 -0.199) 11.987 13.383 ( -0.523 4.432 2.335) 5.037 13.467 ( 2.316 0.892 -4.665) 5.284 13.656 ( -1.951 1.307 2.868) 3.707 13.718 ( 0.133 2.889 -2.968) 4.143 13.987 ( -1.398 -6.820 4.165) 8.113 14.078 ( 1.745 -8.219 -4.255) 9.418 14.707 ( -1.572 8.497 2.149) 8.905 14.763 ( 1.094 8.209 -2.759) 8.729 15.667 ( -4.999 8.224 14.666) 17.542 15.924 ( 10.139 -0.240 -3.098) 10.604 16.279 ( -1.090 1.490 2.327) 2.971 16.325 ( 2.958 2.288 -2.245) 4.361 16.376 ( -11.343 -1.565 -0.736) 11.475 16.543 ( 3.840 -8.084 -9.286) 12.897 16.970 ( 2.160 0.295 6.571) 6.924 17.201 ( -2.417 -4.914 -13.304) 14.387 17.905 ( 4.774 9.088 14.201) 17.523 18.101 ( -8.046 -1.712 2.276) 8.535 18.372 ( -0.249 0.448 -2.410) 2.464 18.479 ( 5.176 -3.442 -6.890) 9.280 19.192 ( -0.573 -8.834 4.653) 10.001 19.267 ( 2.387 -4.254 -2.543) 5.501 19.958 ( -5.491 5.848 3.308) 8.678 19.990 ( 7.907 8.276 0.695) 11.467 20.051 ( -7.136 -2.317 -1.451) 7.641 20.103 ( 1.945 -3.647 -5.465) 6.852 20.269 ( -3.621 7.489 6.360) 10.471 20.416 ( 3.992 6.865 -6.043) 9.979 21.006 ( 1.968 -3.717 7.731) 8.801 21.048 ( 1.857 2.026 3.222) 4.235 21.070 ( -2.174 0.970 1.427) 2.776 21.160 ( -1.529 -2.681 -2.962) 4.278 21.281 ( 3.963 -1.039 6.085) 7.336 21.441 ( -2.896 -3.065 -7.242) 8.380 21.667 ( 0.213 14.697 11.445) 18.629 21.960 ( 0.142 11.999 -13.815) 18.299 22.846 ( 2.740 -8.306 6.449) 10.867 22.988 ( -2.340 -9.695 -5.978) 11.628 26.962 ( -0.017 4.299 0.546) 4.334 26.996 ( 0.163 7.058 -2.795) 7.593 27.342 ( -1.706 -3.613 2.983) 4.986 27.405 ( 3.088 -3.127 -2.525) 5.069 27.698 ( 0.417 2.846 0.955) 3.031 27.723 ( -0.302 4.061 -1.499) 4.339 27.945 ( 1.020 -2.576 2.544) 3.761 27.982 ( 0.659 0.045 -0.199) 0.690 28.265 ( -4.655 4.867 0.679) 6.770 28.309 ( 1.854 6.128 -2.664) 6.935 28.588 ( -6.601 -0.862 5.431) 8.592 28.686 ( 3.076 -2.595 -2.132) 4.554 28.771 ( 4.678 1.677 2.659) 5.636 28.867 ( -2.469 0.325 -4.121) 4.815 28.935 ( -5.308 1.901 0.793) 5.694 28.962 ( 4.979 2.555 -1.721) 5.855 28.996 ( -0.341 -0.257 0.905) 1.001 29.042 ( 0.184 0.631 -2.853) 2.928 29.186 ( -0.006 -1.867 2.420) 3.056 29.220 ( -0.415 -1.499 -0.446) 1.618 29.545 ( -9.835 0.345 7.470) 12.355 29.729 ( 5.492 -3.422 -6.033) 8.847 29.888 ( 0.784 2.053 3.853) 4.435 30.043 ( -2.054 -0.958 -7.702) 8.028 30.268 ( 3.634 -9.107 3.778) 10.508 30.351 ( -2.842 -7.789 -3.824) 9.130 31.293 ( -0.536 1.460 10.109) 10.228 31.464 ( 8.934 -3.234 -4.553) 10.535 31.728 ( -0.476 2.996 0.854) 3.152 31.791 ( -2.634 1.951 -3.962) 5.142 31.867 ( 1.900 -1.319 3.868) 4.506 31.966 ( -2.484 -1.928 -4.748) 5.695 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.457 17.184 15.749) 23.438 1.597 ( 6.823 13.770 12.673) 19.919 1.758 ( -1.005 3.516 -8.507) 9.260 1.959 ( 4.710 2.000 -8.406) 9.841 2.074 ( 0.866 0.459 1.805) 2.054 2.099 ( -3.255 -3.793 0.415) 5.016 2.163 ( 2.557 2.200 -1.662) 3.760 2.316 ( 3.992 4.858 -3.959) 7.431 2.448 ( -3.665 -1.665 0.227) 4.032 2.523 ( -0.893 -7.950 4.829) 9.345 2.586 ( -0.112 -1.029 -0.540) 1.167 2.680 ( 0.713 -2.201 2.336) 3.288 2.821 ( -3.904 -1.903 11.380) 12.181 2.973 ( 5.429 6.375 13.409) 15.809 3.083 ( -2.794 -4.658 -0.650) 5.470 3.140 ( 2.178 -6.344 6.797) 9.549 3.224 ( -0.396 -3.672 -5.413) 6.553 3.303 ( -5.099 4.358 -3.360) 7.502 3.348 ( -2.504 -0.843 -8.007) 8.432 3.500 ( 3.030 7.596 -5.086) 9.631 3.604 ( 5.906 5.847 -8.963) 12.223 3.656 ( 1.817 2.787 -17.552) 17.864 3.794 ( 2.918 3.302 -1.116) 4.546 3.875 ( 2.747 4.892 -1.470) 5.799 4.166 ( 5.774 -3.454 20.034) 21.134 4.464 ( -1.624 -3.883 1.474) 4.460 4.550 ( -1.983 4.646 -2.589) 5.676 4.586 ( -3.701 -0.138 -0.068) 3.704 4.811 ( -4.766 -4.622 9.177) 11.327 4.903 ( 1.727 6.844 -2.591) 7.519 4.966 ( -3.842 -4.278 -10.746) 12.187 5.108 ( -1.371 -0.033 -3.247) 3.524 5.181 ( -6.459 2.867 4.310) 8.277 5.267 ( -1.434 3.002 3.220) 4.630 5.411 ( -13.446 14.617 4.910) 20.459 5.664 ( 1.385 1.244 6.323) 6.591 5.730 ( -10.419 8.253 -10.057) 16.667 5.918 ( -9.598 2.802 7.286) 12.371 6.027 ( 0.633 -3.484 4.331) 5.594 6.075 ( 0.892 -2.121 -1.429) 2.708 6.278 ( -9.488 -14.379 -4.726) 17.863 6.443 ( 2.098 -2.368 -6.687) 7.398 6.467 ( 2.286 -2.599 6.614) 7.465 6.541 ( 3.981 -3.033 0.858) 5.078 6.718 ( 3.959 -7.281 3.394) 8.956 6.814 ( -17.111 -4.540 4.669) 18.309 7.027 ( 8.853 -6.118 -5.391) 12.036 7.158 ( -10.806 -4.203 3.781) 12.196 7.319 ( 0.150 6.571 -2.395) 6.995 7.550 ( 15.361 5.722 -5.731) 17.365 7.857 ( -5.237 8.340 9.087) 13.400 7.979 ( 4.672 7.484 -5.541) 10.419 8.067 ( -1.303 1.185 3.344) 3.780 8.239 ( -3.955 -7.290 6.157) 10.329 8.368 ( 12.410 7.946 -0.452) 14.743 8.457 ( 20.197 -8.367 -10.439) 24.226 8.519 ( 2.345 8.908 0.456) 9.223 8.791 ( 4.476 -3.787 -8.761) 10.542 9.024 ( 3.432 -2.078 1.310) 4.221 9.259 ( 3.238 7.634 5.640) 10.029 9.537 ( 1.210 -3.979 -5.701) 7.057 9.677 ( -3.616 0.832 0.499) 3.744 9.746 ( 1.185 -1.893 0.990) 2.442 10.000 ( -3.194 -9.409 7.755) 12.604 10.054 ( -1.892 2.565 -4.660) 5.645 10.171 ( -3.810 -3.931 4.269) 6.943 10.334 ( -3.293 -1.441 -0.971) 3.723 10.490 ( -3.547 -0.170 -2.637) 4.423 10.562 ( 1.645 -0.172 -4.715) 4.997 10.782 ( 11.806 0.075 4.131) 12.508 10.898 ( 5.934 2.971 1.103) 6.727 10.919 ( 8.504 5.412 -4.924) 11.219 10.993 ( 0.778 0.111 -3.169) 3.265 11.069 ( 2.791 -0.457 -4.831) 5.598 11.511 ( -4.337 0.054 4.525) 6.268 11.695 ( -0.820 -1.797 -0.633) 2.074 11.932 ( -0.941 4.803 7.223) 8.725 12.021 ( -6.522 -2.817 -5.596) 9.044 12.122 ( -4.923 -0.130 -3.842) 6.246 12.191 ( -0.841 3.032 3.389) 4.625 12.315 ( -0.897 -7.212 -2.405) 7.655 12.600 ( -1.003 -8.684 -2.992) 9.240 12.838 ( -5.800 -5.451 2.847) 8.454 12.912 ( -4.520 -4.575 -0.752) 6.475 13.142 ( 4.957 -6.550 -1.995) 8.453 13.261 ( -0.831 0.808 1.690) 2.049 13.412 ( 2.601 0.255 0.567) 2.675 13.541 ( 7.181 0.737 -1.917) 7.469 13.673 ( 3.481 0.953 1.319) 3.843 13.738 ( 1.845 -0.605 0.029) 1.942 13.929 ( -4.087 -3.672 2.120) 5.889 14.135 ( 2.736 -9.643 -2.723) 10.387 14.657 ( -2.706 5.737 1.490) 6.515 14.770 ( 0.003 6.260 -1.395) 6.414 15.370 ( -20.418 3.980 9.993) 23.078 15.702 ( -20.792 -5.828 -2.689) 21.760 16.236 ( -0.461 1.869 2.476) 3.136 16.362 ( 2.856 4.367 -4.367) 6.804 16.611 ( 17.501 5.356 2.803) 18.515 16.817 ( 14.852 2.208 -3.954) 15.528 17.007 ( 3.944 -1.501 8.509) 9.498 17.183 ( 2.785 1.120 -12.386) 12.745 17.961 ( 1.578 -2.037 3.932) 4.701 18.034 ( -0.689 4.559 8.403) 9.585 18.410 ( 6.030 -7.235 -0.923) 9.464 18.633 ( 9.510 1.425 -9.331) 13.399 19.191 ( 0.307 -7.971 3.914) 8.885 19.296 ( -0.690 -7.005 -2.810) 7.579 19.843 ( -6.361 9.989 -0.607) 11.858 19.898 ( -7.776 -0.598 0.445) 7.812 20.097 ( -0.322 0.818 -1.850) 2.048 20.168 ( 7.047 -0.238 1.959) 7.318 20.221 ( -1.365 10.061 5.090) 11.358 20.501 ( 3.381 3.518 -5.444) 7.310 20.972 ( -4.673 0.438 4.017) 6.178 21.025 ( -2.535 0.653 1.707) 3.125 21.119 ( 4.528 -1.113 5.547) 7.246 21.172 ( 3.674 -1.323 -2.589) 4.685 21.396 ( 5.750 -1.604 0.180) 5.972 21.424 ( 4.091 -2.488 -3.659) 6.026 21.625 ( -3.666 12.470 10.054) 16.433 21.906 ( -4.774 9.499 -12.811) 16.647 22.783 ( -9.143 -8.705 5.875) 13.924 22.823 ( -13.810 -8.692 -6.522) 17.573 26.958 ( -0.341 4.109 0.425) 4.145 26.990 ( -0.636 7.135 -2.594) 7.618 27.334 ( 0.956 -3.377 1.784) 3.937 27.473 ( 3.036 -4.967 -2.621) 6.384 27.717 ( 1.300 3.119 0.761) 3.464 27.730 ( 0.891 4.174 -1.967) 4.700 27.957 ( 0.221 -2.162 1.412) 2.592 27.985 ( -0.412 -1.735 -2.361) 2.959 28.163 ( -5.079 6.337 6.019) 10.109 28.351 ( 2.098 3.820 -0.127) 4.360 28.457 ( -5.164 2.789 5.263) 7.883 28.654 ( -7.932 -0.153 -0.404) 7.944 28.713 ( -8.159 1.485 -0.293) 8.298 28.773 ( -3.793 -0.816 -1.252) 4.077 28.854 ( -1.612 0.401 -2.067) 2.652 28.979 ( -0.277 -0.747 2.767) 2.879 29.070 ( 3.772 1.742 -1.788) 4.523 29.133 ( 6.041 0.179 -0.901) 6.111 29.176 ( 0.762 -1.786 1.617) 2.527 29.216 ( -0.030 -1.054 1.909) 2.181 29.456 ( 1.043 3.726 8.098) 8.975 29.834 ( 4.289 -4.173 3.738) 7.055 29.904 ( -1.456 -0.027 -7.843) 7.977 30.092 ( 6.967 -0.592 -1.452) 7.141 30.260 ( -4.175 -8.056 -2.737) 9.477 30.333 ( 1.909 -5.482 1.548) 6.008 31.105 ( -13.174 4.411 0.631) 13.907 31.336 ( -14.764 -0.493 -1.995) 14.906 31.752 ( 6.674 0.606 8.572) 10.881 31.940 ( 5.989 -3.221 4.043) 7.911 31.989 ( 6.478 0.349 -6.051) 8.871 32.143 ( 17.821 -3.466 -11.081) 21.269 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 10.312 10.654 2.594) 15.053 1.662 ( 1.246 9.890 -7.854) 12.690 1.834 ( 3.600 -0.021 2.465) 4.363 1.937 ( -7.705 0.229 -2.819) 8.207 2.018 ( -0.607 -1.158 2.685) 2.986 2.114 ( 4.736 -1.536 -2.399) 5.527 2.242 ( 3.450 -1.224 2.036) 4.189 2.324 ( -9.408 -4.427 1.391) 10.491 2.454 ( 1.663 2.269 -0.451) 2.849 2.494 ( 8.281 5.981 -3.454) 10.783 2.625 ( -0.647 1.703 -0.829) 2.002 2.663 ( 2.058 0.878 7.237) 7.575 2.804 ( 0.856 2.050 6.466) 6.837 2.963 ( -2.838 0.779 1.476) 3.292 3.091 ( -3.362 0.403 0.713) 3.460 3.159 ( 0.548 3.590 8.439) 9.187 3.199 ( -3.164 -0.211 10.793) 11.250 3.238 ( 1.951 -3.237 -4.309) 5.732 3.332 ( -0.322 -2.150 -7.473) 7.783 3.584 ( -2.850 2.794 -13.509) 14.086 3.679 ( 10.056 5.669 2.313) 11.774 3.767 ( 9.713 1.150 -4.641) 10.826 3.886 ( 6.622 3.000 -1.065) 7.348 3.962 ( 6.060 1.047 -1.515) 6.333 4.198 ( -2.645 -3.239 6.109) 7.403 4.379 ( -8.216 -0.765 3.623) 9.011 4.446 ( -4.149 -2.012 4.815) 6.667 4.594 ( -5.112 3.599 6.202) 8.806 4.658 ( -0.794 1.098 -3.040) 3.328 4.859 ( -6.663 -3.529 -5.406) 9.278 4.959 ( -3.760 11.143 3.498) 12.269 5.012 ( -8.649 -0.488 0.253) 8.666 5.111 ( 0.945 7.792 1.403) 7.974 5.168 ( -4.831 6.571 -2.377) 8.495 5.252 ( -0.629 2.967 1.842) 3.549 5.500 ( -10.489 9.542 -11.574) 18.303 5.732 ( -3.877 0.882 6.986) 8.039 5.803 ( 5.741 -4.742 7.648) 10.674 5.909 ( -7.879 -4.543 1.305) 9.188 6.105 ( -4.629 -8.936 3.149) 10.545 6.171 ( 0.907 -2.790 -5.985) 6.665 6.296 ( -8.848 -5.810 -7.937) 13.230 6.452 ( -5.982 3.508 6.524) 9.521 6.565 ( 0.498 -1.165 -5.076) 5.232 6.751 ( 6.360 -9.579 11.398) 16.191 6.925 ( 15.035 -9.733 -8.104) 19.659 6.967 ( -2.284 -2.693 0.575) 3.578 7.225 ( 3.127 -9.778 4.924) 11.386 7.293 ( -1.630 13.738 -7.135) 15.566 7.767 ( -3.473 14.905 1.467) 15.374 7.857 ( 3.972 -5.205 -0.427) 6.561 7.939 ( 0.426 -1.341 3.396) 3.676 8.135 ( -0.746 -1.005 -2.588) 2.875 8.145 ( 3.612 2.480 1.198) 4.543 8.465 ( -1.161 10.338 1.016) 10.453 8.566 ( 4.959 3.655 -4.224) 7.469 8.787 ( 11.659 -4.832 -1.135) 12.671 8.913 ( 4.134 -5.132 -1.586) 6.778 9.129 ( 5.690 -2.239 -3.981) 7.297 9.283 ( 0.637 2.190 7.545) 7.882 9.528 ( -5.738 -8.567 4.668) 11.318 9.580 ( -3.192 4.840 3.088) 6.569 9.875 ( 6.508 -0.241 -3.238) 7.273 9.972 ( 0.504 0.182 2.024) 2.094 10.039 ( 4.209 -2.733 -8.037) 9.475 10.116 ( -1.315 -2.789 3.292) 4.510 10.293 ( 0.799 1.951 -2.442) 3.226 10.445 ( -1.674 5.044 -6.969) 8.764 10.632 ( 4.295 -1.090 0.809) 4.505 10.820 ( -3.018 2.419 0.756) 3.941 10.964 ( -2.472 0.031 2.869) 3.787 11.060 ( 2.314 0.886 -3.474) 4.267 11.093 ( 6.082 -0.963 -0.434) 6.174 11.183 ( 10.437 2.391 -2.692) 11.040 11.429 ( -3.217 -2.441 4.062) 5.728 11.618 ( -6.257 -4.275 -2.620) 8.018 11.908 ( -0.897 3.170 0.284) 3.307 11.982 ( 3.622 1.916 -0.323) 4.110 12.026 ( -3.595 3.405 -2.417) 5.511 12.163 ( -1.692 -2.227 0.961) 2.957 12.331 ( -0.102 -7.931 -4.634) 9.186 12.505 ( -5.885 -2.920 1.401) 6.717 12.659 ( -9.101 -1.075 1.145) 9.236 12.786 ( -7.484 -7.475 0.168) 10.579 13.231 ( -0.017 2.753 2.272) 3.570 13.330 ( 4.502 -8.032 -0.421) 9.218 13.470 ( 8.536 -0.520 -5.049) 9.931 13.704 ( 3.188 -8.306 2.129) 9.148 13.765 ( 3.579 0.003 5.598) 6.644 13.781 ( 2.959 -0.232 -1.774) 3.458 13.861 ( 1.450 0.141 0.678) 1.607 14.147 ( -1.993 -8.067 -1.909) 8.526 14.643 ( 2.308 1.663 -0.386) 2.871 14.794 ( 3.382 1.160 0.054) 3.576 14.989 ( -17.510 0.484 6.620) 18.726 15.309 ( -18.904 -7.188 -2.307) 20.355 16.268 ( 3.669 5.423 6.702) 9.369 16.438 ( 4.440 5.051 0.791) 6.771 16.729 ( -3.838 10.315 -2.353) 11.254 16.841 ( -5.628 10.943 -4.874) 13.235 17.295 ( 19.092 3.859 0.777) 19.494 17.423 ( 18.966 1.342 2.843) 19.225 17.961 ( -3.385 -4.819 -7.502) 9.537 18.002 ( -3.576 2.379 7.259) 8.435 18.593 ( 11.821 -7.904 4.897) 15.039 18.843 ( 11.705 -5.667 -8.618) 15.601 19.176 ( -2.786 -8.898 4.247) 10.246 19.225 ( -5.992 -9.001 -2.463) 11.090 19.689 ( -8.498 10.636 -2.258) 13.800 19.751 ( -7.500 6.291 -1.717) 9.939 20.085 ( 0.308 0.269 1.064) 1.140 20.188 ( -1.121 5.644 0.777) 5.807 20.311 ( 5.720 5.667 5.380) 9.683 20.512 ( -1.830 4.011 -3.360) 5.543 20.899 ( -1.912 0.628 4.538) 4.965 20.974 ( -2.412 1.314 1.344) 3.058 21.203 ( 4.348 -0.257 6.861) 8.127 21.306 ( 8.431 1.762 -1.279) 8.707 21.409 ( -2.203 4.809 2.828) 5.998 21.554 ( 3.945 3.242 -6.495) 8.262 21.649 ( 4.539 -4.199 0.488) 6.203 21.871 ( 6.817 1.497 -7.377) 10.155 22.469 ( -19.879 -7.485 -6.404) 22.186 22.538 ( -16.197 -8.117 3.702) 18.492 26.951 ( -0.303 4.133 0.297) 4.155 26.977 ( -0.582 6.857 -2.021) 7.172 27.375 ( 3.018 -4.312 1.051) 5.367 27.493 ( -1.221 -5.553 -0.297) 5.694 27.733 ( 0.034 3.593 0.867) 3.696 27.750 ( 1.083 3.766 -2.026) 4.411 27.951 ( -0.420 -1.464 0.290) 1.551 27.975 ( -0.527 -0.540 -0.730) 1.050 28.125 ( 1.893 4.215 6.967) 8.360 28.370 ( -0.267 -0.373 2.317) 2.362 28.426 ( 1.039 4.344 0.587) 4.505 28.477 ( -7.532 2.014 -2.451) 8.173 28.586 ( -4.786 2.369 0.957) 5.425 28.655 ( -6.560 1.526 -2.231) 7.095 28.881 ( 2.750 -2.283 -1.647) 3.935 28.949 ( -2.615 -1.552 2.756) 4.104 29.127 ( 2.040 1.281 0.350) 2.434 29.178 ( 0.600 -0.343 0.747) 1.017 29.226 ( 1.715 -0.633 4.691) 5.034 29.271 ( 5.078 -0.631 -1.743) 5.406 29.513 ( 3.285 3.739 6.727) 8.368 29.844 ( -3.685 -1.455 -8.460) 9.342 29.909 ( 3.493 -4.392 4.333) 7.090 30.145 ( -2.894 -9.520 -3.890) 10.683 30.268 ( 5.629 2.530 -0.499) 6.192 30.375 ( 2.022 0.191 1.040) 2.282 30.884 ( -8.090 2.312 -1.470) 8.541 31.054 ( -13.379 -1.039 0.054) 13.420 31.871 ( 4.519 1.054 11.892) 12.765 32.072 ( 6.353 -3.201 6.629) 9.724 32.119 ( 6.570 1.133 -9.663) 11.740 32.383 ( 6.330 -5.043 -13.974) 16.149 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 1.269 4.074 -2.215) 4.807 1.666 ( -3.549 5.628 -7.241) 9.834 1.772 ( -0.363 0.166 -0.601) 0.722 1.826 ( 1.775 0.683 -5.240) 5.575 2.136 ( -3.543 -2.505 4.604) 6.327 2.150 ( 2.788 -0.399 4.404) 5.227 2.213 ( 4.702 -1.864 -0.781) 5.118 2.234 ( -3.497 -0.178 -1.693) 3.889 2.518 ( -4.261 3.815 6.197) 8.433 2.536 ( 5.536 5.370 2.727) 8.181 2.646 ( -5.767 4.003 -0.845) 7.071 2.666 ( 4.248 2.637 -0.501) 5.025 2.890 ( -5.939 -0.814 8.212) 10.167 2.922 ( 3.914 1.180 6.614) 7.775 3.023 ( -5.548 3.587 1.658) 6.812 3.091 ( 7.559 3.077 -1.334) 8.270 3.218 ( -0.267 -0.737 2.989) 3.090 3.260 ( -0.624 0.762 1.918) 2.156 3.344 ( 3.699 -1.066 -7.998) 8.876 3.477 ( -3.753 -3.239 -10.793) 11.877 3.836 ( -2.020 -0.785 3.305) 3.953 3.911 ( 4.810 -2.174 -0.901) 5.354 4.044 ( 1.542 2.842 0.553) 3.281 4.083 ( 2.426 6.508 1.620) 7.132 4.184 ( -3.285 1.898 1.624) 4.126 4.212 ( -1.600 -0.989 0.472) 1.939 4.352 ( -0.825 2.383 0.067) 2.523 4.457 ( 2.295 2.416 -6.673) 7.459 4.706 ( 4.272 5.493 10.192) 12.341 4.781 ( -7.577 4.261 10.381) 13.540 4.875 ( 7.787 1.557 2.956) 8.474 4.907 ( -4.845 -1.168 0.531) 5.012 5.016 ( -5.705 6.599 6.077) 10.631 5.254 ( -4.694 10.601 -11.301) 16.190 5.260 ( 1.479 -0.212 -4.902) 5.125 5.333 ( 4.789 3.917 -8.321) 10.369 5.753 ( 4.066 -2.893 4.687) 6.846 5.798 ( 0.069 -8.142 3.992) 9.068 5.952 ( 4.939 -8.443 5.392) 11.169 6.006 ( -1.931 -5.125 -0.161) 5.480 6.175 ( -1.364 1.734 -7.603) 7.917 6.198 ( -2.422 -1.508 -7.945) 8.442 6.374 ( -1.483 3.410 8.206) 9.009 6.577 ( 1.181 -1.838 -6.939) 7.275 6.807 ( -1.806 -10.777 11.585) 15.925 6.956 ( 0.118 -1.944 2.509) 3.176 7.123 ( -2.835 -0.919 0.660) 3.052 7.211 ( 5.235 -3.096 -11.070) 12.631 7.433 ( 11.141 7.297 3.405) 13.747 7.536 ( -11.698 -8.201 -4.854) 15.089 7.941 ( 5.663 4.848 0.787) 7.496 8.033 ( -1.467 0.663 2.683) 3.129 8.039 ( 0.163 1.672 -1.298) 2.122 8.155 ( -3.887 6.922 -4.248) 9.003 8.480 ( -1.912 7.451 6.622) 10.150 8.662 ( 3.026 -2.859 -7.660) 8.718 8.872 ( -3.467 -4.561 2.164) 6.124 8.949 ( 1.327 -3.427 -1.461) 3.955 9.181 ( -2.949 0.591 4.951) 5.793 9.276 ( 1.890 1.438 -0.824) 2.514 9.409 ( -3.036 -1.400 10.460) 10.981 9.588 ( 3.963 -9.379 -3.094) 10.641 9.966 ( 0.028 -3.279 5.335) 6.262 9.995 ( 3.655 4.142 -3.033) 6.302 10.068 ( -0.180 -3.090 2.465) 3.957 10.140 ( -0.434 0.002 -7.607) 7.619 10.314 ( -2.227 6.431 -5.451) 8.720 10.408 ( -1.261 4.965 -8.167) 9.641 10.668 ( -4.196 1.019 8.529) 9.560 10.835 ( 7.187 -0.234 -5.799) 9.238 10.921 ( 1.375 2.891 3.114) 4.466 10.977 ( -5.819 3.227 -1.902) 6.920 11.148 ( -4.062 0.198 5.248) 6.639 11.360 ( 7.454 0.118 -9.174) 11.821 11.402 ( -0.837 -6.251 5.822) 8.583 11.540 ( 0.557 -2.380 -4.805) 5.390 11.914 ( -1.811 1.306 5.135) 5.600 11.952 ( -3.324 3.240 0.401) 4.659 12.078 ( 0.182 -1.556 -1.536) 2.194 12.142 ( 3.046 -2.791 -4.888) 6.400 12.313 ( -6.015 -2.886 2.834) 7.248 12.404 ( 7.770 -1.065 -4.619) 9.102 12.630 ( -4.773 -3.627 1.013) 6.080 12.673 ( 5.036 -3.260 -3.161) 6.781 13.261 ( 2.616 0.962 3.519) 4.489 13.315 ( -2.701 -2.440 -1.288) 3.861 13.584 ( -10.906 -4.807 5.328) 13.055 13.666 ( 5.062 -8.561 0.493) 9.958 13.779 ( 1.694 -0.726 0.561) 1.926 13.860 ( 3.467 -1.014 -4.747) 5.965 14.001 ( 7.077 -3.263 3.051) 8.370 14.056 ( -7.037 -5.405 -1.601) 9.016 14.723 ( -8.951 1.407 2.578) 9.420 14.770 ( 10.089 -0.886 -1.942) 10.312 14.925 ( 8.079 -4.277 3.934) 9.952 15.000 ( -9.369 -5.701 -2.454) 11.239 16.340 ( 1.450 6.653 11.076) 13.001 16.470 ( -3.184 5.497 7.586) 9.895 16.646 ( -0.845 12.780 -6.786) 14.494 16.777 ( 1.662 11.826 -10.453) 15.871 17.604 ( 10.350 5.121 5.093) 12.621 17.673 ( -3.643 3.449 0.282) 5.024 17.843 ( -11.903 0.114 0.120) 11.904 17.908 ( 6.746 -2.094 -4.650) 8.457 18.803 ( 5.057 -14.601 6.722) 16.851 18.972 ( -3.507 -14.137 -7.705) 16.478 19.009 ( -9.388 -5.054 10.677) 15.088 19.210 ( 5.775 -7.263 -8.034) 12.274 19.560 ( -2.654 13.024 3.080) 13.644 19.685 ( 2.628 10.510 -7.634) 13.253 20.115 ( 2.449 3.341 3.333) 5.317 20.157 ( -2.462 3.300 -0.487) 4.146 20.382 ( 1.487 4.353 4.165) 6.206 20.490 ( 0.855 5.655 -4.301) 7.156 20.887 ( -0.009 -0.322 5.567) 5.576 20.948 ( 0.157 1.152 0.006) 1.162 21.268 ( -3.732 7.607 9.062) 12.406 21.318 ( 3.466 1.050 9.115) 9.808 21.473 ( 1.116 2.546 -5.976) 6.591 21.523 ( -2.872 0.106 -6.959) 7.529 21.850 ( 14.221 -4.888 -1.358) 15.098 21.917 ( -14.363 -2.166 -6.433) 15.886 22.210 ( -12.775 -7.790 3.360) 15.335 22.317 ( 12.400 -7.394 -6.184) 15.705 26.948 ( -0.037 4.405 0.302) 4.415 26.970 ( -0.075 6.401 -1.690) 6.621 27.428 ( -0.087 -5.585 2.207) 6.005 27.447 ( -0.821 -4.310 0.376) 4.404 27.731 ( -0.196 3.138 1.009) 3.302 27.761 ( 0.048 3.769 -1.825) 4.188 27.938 ( -1.593 -0.723 2.354) 2.933 27.962 ( -0.346 1.085 1.032) 1.537 28.226 ( 7.611 1.169 2.384) 8.061 28.315 ( -3.547 0.584 -4.293) 5.599 28.427 ( 1.238 0.910 1.629) 2.239 28.468 ( 1.831 0.891 -1.393) 2.467 28.538 ( 0.522 4.113 0.026) 4.146 28.560 ( -2.222 3.950 -2.163) 5.021 28.885 ( -3.730 -1.235 3.503) 5.264 28.935 ( 2.609 -3.108 -0.623) 4.106 29.157 ( 1.226 0.885 1.163) 1.908 29.176 ( -0.511 0.788 -1.092) 1.440 29.255 ( 0.090 -0.577 5.032) 5.066 29.328 ( 0.522 -1.468 -1.727) 2.326 29.565 ( 2.383 2.947 7.067) 8.019 29.780 ( -2.549 -0.629 -10.433) 10.759 29.976 ( 3.375 -7.128 5.318) 9.512 30.092 ( -2.267 -8.439 -4.839) 9.989 30.352 ( 0.715 5.087 0.699) 5.184 30.388 ( 0.576 4.654 -2.490) 5.310 30.831 ( -1.698 -1.897 2.450) 3.533 30.849 ( -2.188 -1.720 0.902) 2.925 31.914 ( -0.176 1.722 11.695) 11.823 32.151 ( 1.099 -3.517 9.745) 10.418 32.217 ( 2.900 0.326 -14.548) 14.838 32.404 ( -3.388 -3.756 -11.979) 13.004 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -8.186 10.306 7.054) 14.932 1.604 ( 0.472 6.904 -12.399) 14.199 1.837 ( -6.357 1.652 5.879) 8.815 1.942 ( 7.684 -2.420 -4.661) 9.307 2.005 ( 0.160 -1.005 3.992) 4.120 2.128 ( -3.811 0.589 -2.384) 4.534 2.291 ( 2.106 -3.203 -0.635) 3.886 2.304 ( 3.807 -2.788 0.038) 4.718 2.405 ( -2.690 2.948 3.460) 5.282 2.493 ( -9.583 5.616 -3.902) 11.772 2.618 ( 1.843 1.503 2.105) 3.176 2.687 ( -3.827 -1.608 2.271) 4.732 2.805 ( 4.943 6.807 8.179) 11.733 2.923 ( -0.386 -0.505 3.350) 3.410 3.035 ( 1.899 0.725 4.915) 5.319 3.146 ( -4.844 -0.905 6.022) 7.781 3.254 ( 2.307 0.301 9.466) 9.747 3.277 ( 4.186 -0.228 -7.087) 8.234 3.451 ( 2.277 -2.796 -12.927) 13.420 3.471 ( 4.202 2.853 -9.320) 10.614 3.680 ( -14.231 6.127 1.584) 15.575 3.773 ( -7.558 2.242 -2.132) 8.166 3.913 ( -10.649 3.805 -2.157) 11.512 3.967 ( -7.629 1.364 -3.176) 8.376 4.212 ( 2.794 -0.451 12.738) 13.049 4.291 ( 8.752 -3.652 -2.953) 9.932 4.549 ( 10.158 -1.825 4.071) 11.094 4.619 ( -0.880 0.886 0.938) 1.562 4.731 ( 13.604 -0.132 -7.349) 15.462 4.799 ( 1.010 -0.497 3.861) 4.022 4.830 ( -2.257 6.730 5.828) 9.184 4.972 ( 3.786 5.148 2.600) 6.899 5.092 ( 5.845 6.028 6.284) 10.488 5.162 ( 3.772 7.706 -1.289) 8.676 5.296 ( 4.841 6.612 -0.207) 8.197 5.460 ( 2.985 3.112 -9.688) 10.604 5.819 ( 3.633 -7.765 6.919) 11.017 5.901 ( 7.635 -5.444 -5.166) 10.706 5.996 ( 2.946 -3.672 -4.772) 6.703 6.074 ( 3.601 -3.851 4.685) 7.053 6.139 ( -1.667 -5.769 0.430) 6.020 6.187 ( 3.101 5.571 -3.296) 7.177 6.399 ( 3.363 0.458 5.177) 6.191 6.606 ( 1.953 -5.753 -3.469) 6.996 6.756 ( 1.457 -8.566 3.989) 9.561 6.926 ( -5.902 -13.557 -1.290) 14.843 7.068 ( -2.891 14.477 -0.989) 14.796 7.176 ( -2.465 -1.359 -7.490) 8.001 7.366 ( -5.535 -5.226 -4.562) 8.875 7.695 ( 7.154 6.749 7.535) 12.390 7.860 ( -8.146 -3.376 -0.793) 8.854 8.013 ( -2.014 13.623 -3.991) 14.338 8.051 ( -2.710 1.552 3.609) 4.772 8.194 ( 8.077 5.668 -1.183) 9.938 8.400 ( -2.746 2.864 6.846) 7.913 8.619 ( -6.914 -10.533 -4.158) 13.268 8.720 ( -10.620 -1.166 0.257) 10.687 8.851 ( -10.084 -2.354 -0.282) 10.359 9.114 ( -5.460 -5.218 1.253) 7.656 9.369 ( -3.026 5.574 11.836) 13.428 9.403 ( 9.166 0.735 -0.847) 9.234 9.677 ( 3.071 -5.427 -4.118) 7.473 9.882 ( -3.456 -1.928 4.376) 5.900 9.995 ( -7.500 -1.201 -11.000) 13.368 10.079 ( 3.244 -3.250 -3.593) 5.831 10.120 ( 1.611 -5.514 3.839) 6.909 10.294 ( 2.052 4.504 -5.041) 7.064 10.404 ( 0.335 8.563 -2.777) 9.008 10.619 ( -2.480 -0.603 0.568) 2.615 10.834 ( -1.637 2.577 4.290) 5.265 10.898 ( -3.577 2.870 4.355) 6.324 10.978 ( -2.631 3.268 -0.471) 4.222 11.038 ( -4.762 4.284 -0.047) 6.406 11.366 ( -6.989 -5.792 -10.914) 14.195 11.458 ( 4.951 -2.530 3.233) 6.431 11.595 ( 3.504 -4.542 -1.003) 5.823 11.825 ( -1.861 0.746 5.408) 5.768 11.957 ( 3.035 3.843 1.592) 5.149 12.033 ( -0.822 1.508 -3.985) 4.340 12.213 ( 4.458 0.198 -1.846) 4.829 12.317 ( 2.734 -9.816 -1.716) 10.333 12.550 ( 0.051 -1.470 -1.796) 2.321 12.684 ( 14.711 -1.110 -1.326) 14.812 12.813 ( 6.824 -5.725 -2.800) 9.337 13.263 ( -4.926 -1.723 1.211) 5.357 13.280 ( -3.257 -3.429 1.819) 5.067 13.369 ( -4.552 2.512 3.524) 6.280 13.646 ( -3.945 -3.055 3.159) 5.906 13.817 ( -2.817 -6.405 -0.464) 7.012 13.883 ( -8.214 -4.578 -5.055) 10.676 13.907 ( 2.423 -2.774 -2.886) 4.679 14.098 ( 2.346 -4.985 2.111) 5.900 14.638 ( -0.129 4.100 0.236) 4.109 14.787 ( -4.141 2.558 0.489) 4.892 15.097 ( 18.487 -4.975 -2.341) 19.287 15.208 ( 16.308 -4.109 5.939) 17.836 16.297 ( -3.968 6.348 8.075) 11.011 16.367 ( -5.012 6.147 1.857) 8.146 16.726 ( 6.437 11.757 -2.650) 13.663 16.858 ( 3.564 7.667 -4.934) 9.789 17.327 ( -23.164 0.429 -1.374) 23.209 17.537 ( -17.623 -2.377 -6.015) 18.773 17.760 ( 4.031 4.329 7.711) 9.719 18.135 ( 10.897 0.314 -3.868) 11.568 18.631 ( -17.589 -8.456 9.724) 21.804 18.718 ( -11.011 -8.653 -3.935) 14.546 19.111 ( 6.646 -8.508 3.185) 11.256 19.260 ( -0.301 -1.951 -1.817) 2.683 19.648 ( 9.019 5.392 0.909) 10.547 19.823 ( 9.776 5.855 -6.361) 13.050 20.098 ( -3.030 0.987 0.127) 3.189 20.169 ( 2.883 5.176 1.603) 6.137 20.384 ( -1.275 3.327 3.674) 5.118 20.509 ( -0.790 5.678 -7.047) 9.084 20.898 ( 1.522 -0.729 4.572) 4.874 20.979 ( 2.477 0.780 1.112) 2.825 21.174 ( -3.426 4.137 10.002) 11.353 21.340 ( -11.147 0.911 -2.807) 11.531 21.383 ( -8.658 0.269 -2.677) 9.066 21.454 ( 3.960 0.524 6.626) 7.736 21.760 ( -2.721 6.903 -5.919) 9.491 21.814 ( -6.092 -1.325 -4.517) 7.699 22.342 ( 19.087 -7.161 3.599) 20.701 22.648 ( 16.879 -9.470 -4.913) 19.968 26.951 ( 0.313 4.621 0.369) 4.646 26.974 ( 0.446 6.267 -1.745) 6.521 27.379 ( -2.173 -3.141 1.032) 3.957 27.454 ( -1.211 -5.761 2.450) 6.376 27.720 ( -0.936 2.540 0.814) 2.827 27.756 ( -0.533 4.019 -1.279) 4.252 27.908 ( -0.700 -0.982 2.563) 2.832 27.961 ( 0.083 1.500 1.536) 2.149 28.280 ( -0.398 3.469 -5.773) 6.747 28.374 ( 3.728 0.677 1.228) 3.983 28.446 ( 4.118 1.766 -0.460) 4.505 28.508 ( 3.123 0.869 -4.798) 5.790 28.596 ( 5.186 1.597 -0.103) 5.427 28.619 ( 7.166 2.578 0.921) 7.671 28.814 ( -3.329 -0.221 3.794) 5.052 28.981 ( 2.114 -3.531 0.240) 4.123 29.139 ( -2.969 0.851 -0.450) 3.121 29.186 ( 0.539 0.675 1.215) 1.491 29.215 ( -3.404 -0.176 1.581) 3.758 29.297 ( -3.235 -1.273 -1.637) 3.842 29.622 ( 3.218 2.277 8.454) 9.328 29.733 ( -2.693 -0.008 -11.440) 11.752 30.028 ( -0.751 -8.661 -0.667) 8.719 30.067 ( 2.385 -9.690 0.268) 9.983 30.276 ( -6.122 3.881 -1.262) 7.358 30.416 ( -0.032 2.313 -3.243) 3.983 30.806 ( 5.388 2.866 5.098) 7.952 30.994 ( 10.643 -1.327 5.432) 12.023 31.877 ( -3.253 1.315 8.989) 9.650 32.099 ( -6.685 -3.916 8.801) 11.725 32.204 ( -4.590 -0.750 -14.946) 15.653 32.282 ( -8.294 -2.545 -9.389) 12.784 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -3.244 16.025 17.047) 23.620 1.621 ( -10.823 5.666 18.252) 21.963 1.690 ( 6.576 8.011 -17.082) 19.981 1.965 ( -4.440 2.387 -7.893) 9.366 2.064 ( 1.637 -2.105 1.467) 3.043 2.095 ( -1.536 0.245 1.098) 1.904 2.230 ( -0.798 3.784 -0.307) 3.879 2.298 ( -4.139 3.459 -7.379) 9.140 2.434 ( 4.493 -2.844 -0.193) 5.321 2.492 ( 5.387 -5.748 5.559) 9.641 2.586 ( -4.699 -8.050 3.600) 9.992 2.640 ( -0.801 -0.913 0.906) 1.515 2.872 ( -0.913 5.932 12.272) 13.661 2.947 ( 3.044 -1.915 8.560) 9.285 3.082 ( -1.575 -7.777 3.163) 8.542 3.092 ( 4.219 5.742 0.913) 7.184 3.284 ( -0.942 -1.144 4.431) 4.672 3.304 ( 1.986 -2.607 -4.702) 5.731 3.425 ( -3.493 -0.069 -13.035) 13.495 3.466 ( -3.516 7.468 -2.255) 8.557 3.565 ( 0.860 2.842 -17.040) 17.297 3.642 ( -4.530 7.312 -10.135) 13.293 3.796 ( -1.757 3.961 -0.700) 4.389 3.869 ( -3.145 4.044 -0.923) 5.206 4.136 ( -6.783 -1.743 21.791) 22.889 4.449 ( 5.176 -3.066 -0.912) 6.085 4.607 ( 0.869 -1.293 -3.581) 3.906 4.697 ( -2.343 4.117 -9.874) 10.951 4.753 ( 0.234 -0.691 9.955) 9.982 4.842 ( 5.086 -3.397 2.168) 6.489 4.945 ( 6.602 -1.566 -2.296) 7.163 5.097 ( 5.046 4.554 5.575) 8.791 5.120 ( 2.496 3.410 -1.994) 4.673 5.362 ( 7.802 6.841 0.844) 10.411 5.439 ( 9.590 11.263 8.647) 17.135 5.521 ( 7.353 6.015 -4.843) 10.663 5.856 ( -6.958 -4.720 0.259) 8.412 5.958 ( -3.771 -9.135 -2.655) 10.233 5.989 ( 8.126 -4.866 3.531) 10.109 6.188 ( 6.263 -2.427 -3.206) 7.442 6.223 ( 5.662 4.097 -1.629) 7.176 6.273 ( 6.488 -4.193 2.111) 8.008 6.480 ( 3.785 1.340 6.289) 7.461 6.620 ( -0.500 -8.621 -0.437) 8.647 6.731 ( -8.628 -8.993 -2.918) 12.800 6.940 ( -13.006 6.281 -2.258) 14.619 7.025 ( 18.464 -5.536 -6.378) 20.304 7.217 ( -6.286 -0.592 3.959) 7.452 7.266 ( 12.546 -3.319 -3.887) 13.547 7.528 ( -9.090 8.209 -2.826) 12.570 7.843 ( -4.083 3.280 5.961) 7.935 7.987 ( -0.845 10.147 -0.197) 10.184 8.097 ( 8.451 5.581 -0.651) 10.148 8.215 ( -18.193 -2.244 9.452) 20.624 8.308 ( -10.256 -1.398 0.566) 10.366 8.396 ( -1.714 4.985 -2.152) 5.694 8.552 ( -11.064 -5.919 4.215) 13.236 8.698 ( 0.219 -8.033 -12.254) 14.654 8.994 ( -3.804 7.801 6.552) 10.874 9.295 ( -4.758 0.261 3.053) 5.659 9.545 ( 4.436 -1.743 -5.715) 7.441 9.668 ( -2.150 -1.580 -3.238) 4.196 9.884 ( 2.724 -9.450 -3.290) 10.370 9.923 ( -1.651 5.329 0.969) 5.663 10.141 ( 1.416 -6.567 6.118) 9.086 10.182 ( 7.467 -8.059 -2.337) 11.232 10.362 ( 3.149 1.276 -3.907) 5.178 10.405 ( -1.427 3.421 1.685) 4.072 10.511 ( -4.846 0.868 0.244) 4.929 10.780 ( -3.284 6.102 3.125) 7.602 10.860 ( -6.820 4.713 -0.842) 8.332 10.911 ( 1.914 0.964 0.588) 2.222 10.964 ( -4.207 2.639 -1.014) 5.069 11.129 ( -11.201 -3.064 -8.425) 14.347 11.552 ( 3.430 -2.075 3.674) 5.437 11.650 ( 1.528 -0.777 0.776) 1.881 11.854 ( 3.430 0.785 7.735) 8.498 12.053 ( 6.977 3.967 -1.388) 8.145 12.100 ( 4.370 -1.808 -3.416) 5.834 12.298 ( 3.800 0.011 -3.871) 5.424 12.348 ( 0.794 -7.395 -4.339) 8.611 12.514 ( -5.034 -3.956 2.925) 7.039 12.903 ( 1.945 -6.448 -2.892) 7.329 12.917 ( 5.759 -2.263 -1.878) 6.466 13.105 ( -1.618 -6.166 1.302) 6.507 13.285 ( 1.583 -0.615 -0.158) 1.706 13.379 ( 1.222 3.901 3.433) 5.338 13.528 ( -7.945 -5.989 -1.456) 10.056 13.717 ( -3.545 0.349 0.065) 3.563 13.756 ( -5.082 0.023 -3.655) 6.260 13.965 ( 2.586 -7.709 0.516) 8.148 14.096 ( -1.917 -6.102 -0.410) 6.409 14.684 ( 3.459 7.918 -0.057) 8.640 14.752 ( -0.322 6.471 -0.587) 6.506 15.491 ( 19.384 -2.055 5.056) 20.138 15.553 ( 19.353 0.039 4.269) 19.818 16.253 ( 0.191 3.351 3.303) 4.709 16.311 ( -0.748 4.141 -2.864) 5.090 16.716 ( -13.130 3.336 0.179) 13.548 16.793 ( -18.101 2.017 -7.272) 19.611 16.940 ( -3.768 -0.141 6.847) 7.817 17.276 ( -6.862 -5.171 -12.483) 15.154 17.819 ( 3.193 4.992 10.064) 11.679 18.299 ( 5.561 3.786 -9.660) 11.772 18.322 ( -12.853 -4.574 9.947) 16.884 18.523 ( -7.852 -4.871 -1.876) 9.428 19.188 ( 1.618 -10.545 3.688) 11.288 19.249 ( -0.449 -1.834 0.194) 1.898 19.826 ( 8.798 6.323 0.157) 10.835 19.995 ( 7.083 -0.069 -5.681) 9.080 20.043 ( -3.091 -0.274 2.233) 3.823 20.197 ( -2.425 1.663 -1.596) 3.346 20.335 ( -2.791 4.940 4.134) 7.020 20.422 ( -5.960 8.994 -6.769) 12.737 20.948 ( 3.260 -2.501 6.012) 7.282 21.022 ( 1.481 0.623 2.464) 2.942 21.130 ( -5.808 2.060 2.243) 6.558 21.166 ( 1.711 -0.196 4.894) 5.188 21.265 ( -3.596 -0.866 -0.589) 3.745 21.520 ( -2.962 -2.068 -3.514) 5.039 21.629 ( 0.532 10.082 9.319) 13.739 21.899 ( 5.557 11.019 -12.712) 17.717 22.679 ( 13.898 -7.802 5.565) 16.882 22.913 ( 9.532 -9.887 -5.006) 14.617 26.958 ( 0.376 4.541 0.482) 4.582 26.986 ( 0.729 6.651 -2.249) 7.058 27.359 ( 0.178 -3.015 0.214) 3.027 27.404 ( -3.089 -4.069 2.525) 5.698 27.702 ( -0.719 2.534 0.738) 2.736 27.739 ( -1.085 4.042 -1.135) 4.336 27.919 ( 1.399 -2.204 2.926) 3.921 27.968 ( 0.618 1.103 0.891) 1.547 28.283 ( 0.680 5.980 -4.627) 7.592 28.344 ( -3.427 3.631 -0.083) 4.993 28.595 ( 5.373 -0.680 -3.737) 6.580 28.617 ( 9.738 0.648 0.131) 9.761 28.671 ( -0.592 -2.314 2.828) 3.702 28.793 ( 8.211 2.429 -1.537) 8.700 28.802 ( 5.578 2.175 1.515) 6.176 29.017 ( 1.165 -3.292 0.052) 3.492 29.056 ( -5.062 0.986 0.005) 5.157 29.107 ( -5.902 1.463 0.783) 6.131 29.204 ( -0.984 -1.118 -1.058) 1.827 29.232 ( -2.000 -0.541 0.014) 2.072 29.662 ( -0.627 0.651 5.427) 5.502 29.686 ( -0.819 -0.579 -8.154) 8.215 29.955 ( -5.699 -5.037 -1.849) 7.827 30.129 ( -4.879 -1.066 -5.327) 7.302 30.175 ( 3.807 -8.836 4.644) 10.683 30.392 ( -1.686 -3.664 -3.644) 5.435 31.043 ( 17.648 4.232 6.681) 19.339 31.219 ( 11.995 1.514 7.477) 14.215 31.805 ( -4.503 -0.306 5.700) 7.270 31.922 ( -9.123 -2.538 4.232) 10.372 32.037 ( -12.177 -0.099 -10.839) 16.302 32.101 ( -9.575 -2.124 -6.705) 11.881 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 1.035 17.731 12.663) 21.813 1.733 ( -2.745 15.382 12.339) 19.910 1.949 ( 0.788 -4.223 -0.029) 4.296 2.005 ( 3.537 5.039 -9.257) 11.118 2.014 ( -1.617 1.639 -2.518) 3.412 2.067 ( -0.282 -2.357 -1.137) 2.632 2.201 ( -5.296 -7.958 1.296) 9.646 2.278 ( 2.784 -4.799 -4.471) 7.125 2.374 ( 1.866 2.640 -0.366) 3.254 2.425 ( 0.149 -0.152 -3.079) 3.087 2.516 ( 4.769 -2.864 1.967) 5.900 2.562 ( -1.090 -3.682 -1.963) 4.313 2.860 ( -2.378 -2.487 1.055) 3.599 2.882 ( -1.248 -4.972 -1.926) 5.476 2.950 ( 0.187 -0.850 6.098) 6.160 3.000 ( 0.722 -4.877 2.185) 5.392 3.257 ( -0.971 3.007 -0.190) 3.166 3.309 ( -0.794 -2.184 -5.752) 6.203 3.575 ( 1.766 5.469 -7.759) 9.655 3.605 ( -0.259 6.898 -2.839) 7.464 3.656 ( 1.349 5.460 -3.129) 6.436 3.747 ( -1.729 3.440 -1.929) 4.307 3.879 ( -0.351 2.400 0.449) 2.466 3.914 ( -0.656 0.579 -1.265) 1.539 4.079 ( 0.874 4.641 13.950) 14.728 4.284 ( -0.378 -13.606 0.005) 13.611 4.653 ( -1.512 9.550 3.525) 10.291 4.754 ( 1.159 4.668 -4.032) 6.276 4.881 ( 6.063 3.970 1.056) 7.324 4.939 ( -6.334 1.925 -4.049) 7.760 5.026 ( 0.138 1.846 2.815) 3.370 5.099 ( 5.386 -8.879 1.876) 10.553 5.198 ( -5.800 -7.340 -1.986) 9.563 5.236 ( -1.467 -0.578 -2.474) 2.934 5.640 ( -3.317 4.011 9.357) 10.707 5.748 ( -1.662 4.557 5.741) 7.516 5.806 ( 5.634 -5.450 -1.792) 8.041 5.892 ( 5.992 -2.453 -7.105) 9.613 6.069 ( 6.686 7.326 9.286) 13.587 6.244 ( 5.985 -8.097 4.432) 11.001 6.309 ( 1.851 7.351 -0.605) 7.605 6.391 ( -7.176 0.187 -0.398) 7.189 6.424 ( 1.895 -0.484 1.953) 2.764 6.456 ( -7.713 -3.209 1.728) 8.531 6.587 ( 0.227 -1.620 0.145) 1.642 6.644 ( -9.604 -5.072 -2.940) 11.251 7.141 ( -8.445 6.138 5.705) 11.898 7.254 ( 1.547 -2.260 -2.459) 3.681 7.552 ( -4.685 4.786 6.061) 9.033 7.627 ( -1.843 -1.472 -0.247) 2.371 7.662 ( -1.499 -4.079 -0.115) 4.347 7.707 ( 17.320 -6.123 -5.812) 19.268 8.120 ( -1.500 2.047 1.534) 2.966 8.177 ( -0.553 -3.407 -2.073) 4.026 8.274 ( 1.755 2.173 -2.594) 3.812 8.377 ( 0.717 -3.396 -8.700) 9.367 8.661 ( 0.635 14.384 -0.942) 14.429 8.730 ( 4.402 9.550 -7.407) 12.863 9.217 ( 5.095 -1.177 3.148) 6.104 9.248 ( -8.253 7.972 3.481) 11.991 9.472 ( 2.773 -7.963 -2.327) 8.747 9.565 ( -1.171 3.877 -6.035) 7.268 9.684 ( 0.555 -13.147 4.797) 14.005 9.781 ( -4.760 -9.769 -2.667) 11.189 10.120 ( 2.053 1.379 4.009) 4.711 10.155 ( 3.045 -2.295 1.459) 4.083 10.365 ( -2.646 1.194 1.460) 3.249 10.395 ( 0.662 -1.875 -0.497) 2.050 10.603 ( 0.077 4.015 2.552) 4.758 10.679 ( -5.708 -2.309 -2.502) 6.646 10.901 ( 3.059 3.705 -4.228) 6.400 10.924 ( 3.276 1.957 -5.848) 6.983 11.029 ( -0.451 1.244 0.446) 1.396 11.032 ( -0.924 0.345 -0.067) 0.989 11.593 ( 0.309 3.194 3.135) 4.486 11.670 ( 1.296 -2.234 -2.862) 3.855 11.945 ( 1.398 2.610 6.192) 6.863 12.031 ( -0.684 -4.965 -0.059) 5.012 12.190 ( -0.580 -0.857 -4.829) 4.939 12.219 ( -3.309 -3.104 -6.210) 7.691 12.347 ( -2.530 0.661 1.584) 3.057 12.372 ( 3.722 -1.676 -0.741) 4.148 12.857 ( -6.099 2.592 2.941) 7.250 12.909 ( 4.025 2.394 -1.386) 4.884 13.011 ( -7.013 -9.840 2.002) 12.249 13.045 ( 7.465 -8.218 -0.711) 11.125 13.469 ( 0.165 3.032 0.396) 3.063 13.490 ( 1.557 0.805 -1.489) 2.300 13.713 ( 0.964 4.121 3.648) 5.588 13.797 ( -1.875 4.086 -4.535) 6.385 13.835 ( 1.680 -6.706 3.981) 7.977 13.916 ( -1.752 -6.817 -4.072) 8.131 14.851 ( -1.882 4.386 2.305) 5.301 14.874 ( 0.097 2.201 0.386) 2.237 15.813 ( 0.612 4.649 2.639) 5.381 15.892 ( 3.556 -3.050 -3.196) 5.672 16.311 ( 0.463 0.976 1.776) 2.078 16.338 ( -6.370 -1.489 -0.448) 6.557 16.352 ( 0.282 3.611 8.985) 9.688 16.451 ( 1.983 -3.608 0.814) 4.197 17.001 ( 0.958 2.869 -1.454) 3.356 17.087 ( 0.041 -5.232 -8.583) 10.052 18.059 ( -1.921 4.371 2.684) 5.477 18.132 ( 3.937 0.367 -3.170) 5.068 18.294 ( -7.641 3.194 8.426) 11.815 18.457 ( 6.935 -5.953 -4.298) 10.099 19.078 ( -0.177 1.037 2.480) 2.694 19.176 ( 0.900 -5.821 -5.325) 7.940 19.932 ( 0.821 -1.908 0.242) 2.091 19.948 ( 2.298 -3.420 -0.927) 4.224 20.139 ( -4.399 4.747 0.555) 6.496 20.172 ( -1.622 1.773 -1.808) 3.007 20.463 ( 0.350 8.678 3.094) 9.219 20.532 ( 1.034 2.531 -2.347) 3.603 20.957 ( 1.285 0.056 10.783) 10.860 21.022 ( 0.507 -5.019 6.867) 8.520 21.103 ( 0.433 2.966 1.038) 3.172 21.147 ( -1.174 -0.184 -2.795) 3.038 21.279 ( 1.336 1.952 -0.208) 2.375 21.358 ( -1.698 -4.542 -5.472) 7.311 22.021 ( 0.578 16.705 4.656) 17.352 22.179 ( -0.500 5.271 -8.708) 10.192 22.650 ( 1.685 -6.671 4.097) 8.008 22.743 ( -1.291 -12.038 -3.908) 12.723 27.074 ( -0.373 5.886 2.166) 6.283 27.134 ( 0.230 3.823 -2.982) 4.854 27.257 ( -0.472 -2.568 2.087) 3.343 27.318 ( 1.594 -4.983 -2.944) 6.004 27.775 ( 0.785 4.231 1.502) 4.558 27.821 ( -0.358 4.134 -2.523) 4.856 27.877 ( 0.827 -2.936 2.081) 3.693 27.936 ( -0.660 -4.120 -2.863) 5.060 28.405 ( -2.820 6.865 2.844) 7.948 28.439 ( -0.538 4.420 0.726) 4.511 28.569 ( -2.691 -0.591 1.778) 3.279 28.615 ( 1.922 -4.175 -1.885) 4.968 28.820 ( 3.415 2.899 1.707) 4.794 28.865 ( -3.203 -0.965 -1.776) 3.788 28.975 ( -2.050 1.356 1.608) 2.937 28.991 ( 0.954 -0.276 2.086) 2.310 29.020 ( 3.063 2.827 -2.362) 4.791 29.052 ( -0.358 0.081 -2.876) 2.899 29.145 ( -0.929 -1.375 1.117) 2.001 29.165 ( -1.099 -3.122 -0.524) 3.351 29.575 ( -3.897 2.748 2.818) 5.539 29.651 ( 1.811 -4.078 -3.193) 5.487 29.934 ( 3.288 2.900 3.555) 5.645 30.013 ( -0.523 -3.179 -2.450) 4.048 30.120 ( 2.500 -2.191 0.063) 3.325 30.184 ( -4.771 -6.721 -4.645) 9.461 31.337 ( 2.385 2.641 5.483) 6.536 31.398 ( 3.967 -3.114 0.289) 5.051 31.782 ( -1.601 2.300 1.559) 3.207 31.828 ( -0.933 -1.750 2.536) 3.219 31.847 ( 0.283 2.689 -3.222) 4.206 31.912 ( -0.940 -3.082 -4.171) 5.271 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -2.001 16.746 5.446) 17.723 1.796 ( 2.380 4.949 4.881) 7.348 1.928 ( -4.467 8.177 -3.385) 9.913 1.972 ( 1.239 -0.810 -1.225) 1.921 2.009 ( -3.294 -4.905 -0.627) 5.941 2.054 ( -0.863 -2.659 0.121) 2.798 2.177 ( 2.469 2.353 1.214) 3.620 2.327 ( -0.575 -7.821 0.917) 7.896 2.421 ( 2.057 1.458 -5.869) 6.388 2.432 ( 4.546 -0.770 -1.490) 4.845 2.591 ( 3.566 0.175 -0.986) 3.704 2.609 ( 3.350 -2.589 -3.245) 5.334 2.821 ( 0.709 2.385 5.338) 5.890 2.907 ( 3.920 -6.408 1.937) 7.758 3.009 ( 3.758 -0.315 1.007) 3.903 3.074 ( 5.000 -4.205 2.789) 7.104 3.238 ( -0.801 3.342 0.923) 3.558 3.295 ( -0.846 -2.190 -4.360) 4.953 3.527 ( -7.475 11.408 -2.906) 13.945 3.628 ( 3.161 3.625 -10.331) 11.396 3.690 ( 1.107 1.090 -1.868) 2.430 3.719 ( 0.646 2.426 1.500) 2.924 3.852 ( -0.568 2.532 -0.552) 2.653 3.911 ( 0.325 -1.402 0.356) 1.483 4.141 ( 4.502 2.218 9.217) 10.495 4.284 ( 1.172 -10.493 2.191) 10.783 4.579 ( -7.025 4.409 2.235) 8.590 4.720 ( -8.323 -8.012 -0.748) 11.577 4.782 ( -0.320 10.163 -4.560) 11.144 4.875 ( -5.339 3.482 5.504) 8.422 5.085 ( -0.102 0.973 1.439) 1.740 5.153 ( 4.761 7.095 1.736) 8.719 5.196 ( -0.058 -2.672 -2.698) 3.797 5.280 ( 5.320 -4.421 4.160) 8.072 5.604 ( -0.436 0.572 5.600) 5.646 5.663 ( -5.398 4.121 -2.141) 7.121 5.882 ( -15.516 4.615 5.678) 17.155 5.965 ( -18.522 -5.556 9.661) 21.617 5.980 ( 4.780 2.010 -3.420) 6.212 6.059 ( 4.065 -1.435 -10.454) 11.308 6.153 ( -7.237 9.277 -2.289) 11.987 6.343 ( -1.337 -7.726 1.372) 7.960 6.369 ( -3.422 -2.182 -2.981) 5.036 6.474 ( -3.948 -10.386 0.583) 11.127 6.584 ( 3.334 6.027 3.887) 7.908 6.793 ( -3.637 -8.882 1.302) 9.686 6.888 ( -2.455 2.471 5.044) 6.130 7.024 ( -8.636 -7.721 2.559) 11.864 7.497 ( 4.670 8.436 4.254) 10.539 7.619 ( 7.383 -0.922 2.710) 7.918 7.890 ( 6.511 3.099 -1.312) 7.329 8.064 ( 1.181 -7.025 0.083) 7.124 8.099 ( 0.851 2.300 -0.470) 2.497 8.222 ( 4.410 -8.795 -5.791) 11.417 8.314 ( 6.063 12.426 -2.844) 14.116 8.480 ( 12.285 -1.174 -3.575) 12.849 8.716 ( 5.225 8.467 -5.376) 11.309 8.809 ( 4.111 3.252 -13.639) 14.612 9.102 ( -6.586 8.317 1.926) 10.782 9.266 ( -2.894 -6.465 5.047) 8.698 9.525 ( -0.777 1.511 0.705) 1.840 9.593 ( 8.683 1.022 -5.678) 10.425 9.681 ( 1.918 -9.883 4.175) 10.899 9.736 ( 1.639 -10.595 0.917) 10.760 10.120 ( -3.729 2.039 -0.413) 4.270 10.133 ( -4.208 0.216 2.969) 5.155 10.350 ( 0.718 3.358 0.192) 3.439 10.449 ( 4.042 -4.362 -0.716) 5.990 10.614 ( 1.729 5.120 0.004) 5.404 10.727 ( 9.799 -4.232 5.047) 11.807 10.969 ( -2.835 2.706 1.320) 4.135 10.999 ( -1.466 0.565 -0.261) 1.592 11.043 ( 8.190 2.705 -6.577) 10.847 11.057 ( 7.700 0.439 -6.407) 10.027 11.542 ( -5.725 3.728 2.309) 7.211 11.644 ( -4.767 -4.167 -1.561) 6.521 11.958 ( -0.521 0.866 -0.553) 1.152 12.016 ( 0.539 -0.819 -4.774) 4.874 12.113 ( -5.154 -1.000 1.533) 5.469 12.156 ( -0.575 -3.491 -3.318) 4.850 12.301 ( -3.367 5.260 2.444) 6.706 12.430 ( 0.344 -7.294 -0.728) 7.338 12.740 ( -5.874 -1.092 2.757) 6.580 12.809 ( -9.790 -5.754 2.672) 11.665 13.066 ( 7.593 1.232 -0.744) 7.728 13.172 ( 5.095 -7.164 1.223) 8.876 13.467 ( 0.017 3.718 -0.580) 3.763 13.526 ( 2.206 -1.858 -2.758) 3.991 13.740 ( 1.811 5.920 4.157) 7.457 13.779 ( 0.569 3.621 -3.530) 5.089 13.852 ( -0.183 -3.921 0.849) 4.016 13.922 ( 2.008 -10.019 -0.970) 10.264 14.774 ( -5.167 4.775 2.671) 7.525 14.832 ( -3.786 -0.284 2.005) 4.294 15.458 ( -24.268 4.444 0.047) 24.672 15.568 ( -23.314 -6.264 -2.605) 24.281 16.305 ( 3.311 4.235 7.004) 8.829 16.379 ( 4.255 -2.102 4.210) 6.344 16.762 ( 24.254 6.585 2.155) 25.224 16.836 ( 27.899 -0.884 4.496) 28.272 17.034 ( 1.306 3.656 -4.294) 5.789 17.134 ( 5.526 -4.844 -11.157) 13.360 17.963 ( -3.601 4.449 0.522) 5.747 18.115 ( -5.430 -7.381 2.046) 9.388 18.331 ( 8.498 11.071 3.535) 14.397 18.600 ( 6.547 -9.690 -5.876) 13.088 19.071 ( -0.866 0.984 2.603) 2.914 19.169 ( -2.303 -6.127 -5.098) 8.297 19.889 ( -4.180 0.961 -3.147) 5.319 19.946 ( -3.448 -3.038 -3.152) 5.572 20.097 ( 0.460 4.899 3.675) 6.141 20.169 ( 1.548 -1.141 3.051) 3.606 20.483 ( 1.481 10.259 2.510) 10.665 20.570 ( 2.044 1.388 -2.130) 3.261 20.960 ( -1.305 -0.000 8.605) 8.703 21.007 ( -1.569 -3.172 5.649) 6.666 21.150 ( 2.427 2.604 0.032) 3.560 21.165 ( 5.183 0.866 -1.251) 5.402 21.343 ( 4.275 -1.828 -2.172) 5.132 21.362 ( 3.960 -3.089 -2.370) 5.554 21.954 ( -6.989 15.709 4.372) 17.741 22.086 ( -8.287 5.120 -8.381) 12.850 22.571 ( -9.476 -8.657 3.783) 13.381 22.605 ( -12.205 -10.125 -4.571) 16.504 27.066 ( -0.334 5.762 1.875) 6.069 27.131 ( -0.375 3.412 -2.632) 4.325 27.260 ( 0.644 -1.169 1.159) 1.768 27.352 ( 1.436 -6.402 -2.828) 7.144 27.797 ( 1.234 4.107 1.104) 4.428 27.817 ( 0.057 3.658 -2.767) 4.587 27.899 ( 1.267 -2.917 1.593) 3.557 27.923 ( -0.275 -3.769 -2.773) 4.688 28.318 ( -5.507 7.001 5.681) 10.565 28.398 ( -3.364 -0.354 3.686) 5.003 28.540 ( -0.400 4.594 0.305) 4.621 28.633 ( -1.375 -3.518 -0.764) 3.854 28.726 ( -7.821 2.519 -1.508) 8.354 28.782 ( -5.391 -0.652 1.191) 5.560 28.870 ( -4.857 1.939 -0.099) 5.230 28.933 ( -3.172 -3.249 0.311) 4.551 29.118 ( 3.698 2.405 -1.178) 4.566 29.139 ( 3.728 0.773 0.065) 3.808 29.151 ( 4.023 -0.930 0.375) 4.146 29.177 ( 1.162 -2.303 1.739) 3.110 29.571 ( 2.651 7.101 2.897) 8.115 29.723 ( 3.966 -6.608 0.892) 7.759 29.913 ( -3.279 1.558 -5.241) 6.375 30.000 ( -2.351 -6.734 -1.994) 7.406 30.174 ( 5.311 0.352 -1.194) 5.455 30.224 ( 6.271 -4.170 2.181) 7.840 31.206 ( -12.465 4.975 0.077) 13.421 31.297 ( -13.135 -3.384 -0.980) 13.599 31.785 ( 5.776 2.672 5.828) 8.630 31.859 ( 5.520 -4.144 4.512) 8.247 32.011 ( 8.907 1.957 -5.518) 10.659 32.068 ( 12.631 -3.402 -6.528) 14.620 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.741 10.097 -1.690) 10.264 1.779 ( -1.625 -0.122 -7.058) 7.244 1.843 ( -5.621 0.988 -2.465) 6.216 1.896 ( -6.625 -3.267 -4.286) 8.540 2.044 ( 4.918 2.857 7.362) 9.303 2.087 ( 4.041 -1.350 1.183) 4.422 2.225 ( 0.719 0.790 1.500) 1.841 2.263 ( -2.930 -1.788 0.318) 3.447 2.513 ( 5.316 2.596 0.235) 5.921 2.571 ( 8.424 -0.988 -3.125) 9.039 2.618 ( -0.259 1.026 0.461) 1.154 2.663 ( 2.346 -2.838 -1.619) 4.022 2.877 ( 3.385 7.051 8.710) 11.706 3.014 ( 4.465 -5.821 4.891) 8.817 3.046 ( 1.472 5.655 2.093) 6.207 3.159 ( 3.278 -4.325 -1.566) 5.649 3.222 ( -1.742 2.151 1.036) 2.956 3.272 ( -1.862 -2.143 -6.098) 6.726 3.362 ( -6.223 11.600 -1.341) 13.232 3.572 ( -8.368 -5.802 -9.891) 14.196 3.767 ( 4.922 -0.028 -1.653) 5.192 3.776 ( 5.256 0.959 -0.336) 5.354 3.925 ( 6.231 1.390 0.214) 6.387 3.964 ( 6.836 -1.765 0.263) 7.065 4.202 ( 1.244 5.780 3.155) 6.702 4.352 ( 4.475 -6.341 3.508) 8.517 4.423 ( -6.971 5.919 0.064) 9.145 4.575 ( -7.831 -5.667 2.002) 9.872 4.760 ( -2.383 0.559 6.025) 6.503 4.786 ( -1.254 0.910 6.940) 7.110 5.047 ( -2.910 6.631 2.736) 7.741 5.170 ( -3.438 -0.254 -2.486) 4.250 5.245 ( -5.680 9.704 8.306) 13.980 5.281 ( 2.576 4.148 -1.938) 5.253 5.459 ( -10.608 9.852 -3.524) 14.900 5.597 ( -3.857 -0.106 1.398) 4.104 5.659 ( -5.307 -6.324 3.504) 8.969 5.746 ( -2.402 -3.022 6.566) 7.617 5.867 ( -16.331 1.240 -8.058) 18.253 5.908 ( -5.919 -5.772 1.516) 8.405 6.233 ( 2.801 8.033 2.356) 8.827 6.260 ( 1.788 4.786 -5.976) 7.862 6.410 ( 1.985 -7.597 -1.298) 7.959 6.494 ( 1.255 -9.031 -2.546) 9.467 6.601 ( 2.437 -2.720 0.028) 3.652 6.728 ( 4.457 -9.700 -8.557) 13.681 6.874 ( 1.726 1.526 8.850) 9.145 7.014 ( -0.259 -9.176 8.563) 12.554 7.592 ( 3.478 12.330 -2.051) 12.975 7.785 ( 4.826 -4.503 2.738) 7.146 7.841 ( -8.978 1.750 1.389) 9.252 8.006 ( -4.066 -6.955 -3.290) 8.702 8.168 ( 2.152 13.167 4.303) 14.018 8.255 ( 9.013 3.412 -1.436) 9.744 8.548 ( 11.194 -1.424 -6.112) 12.833 8.625 ( 2.356 -1.917 -0.012) 3.038 8.776 ( 0.298 4.903 -7.592) 9.043 8.863 ( -2.500 0.839 -5.028) 5.678 9.061 ( 4.950 -1.263 -6.441) 8.222 9.182 ( -3.858 -11.213 1.286) 11.928 9.487 ( -2.882 7.173 6.059) 9.822 9.647 ( -5.647 -4.335 2.992) 7.722 9.807 ( 8.792 0.885 2.921) 9.307 9.911 ( 10.890 -7.262 -6.056) 14.422 10.032 ( -0.891 2.075 -0.040) 2.259 10.066 ( -0.115 -1.768 1.581) 2.375 10.398 ( 4.712 7.718 -0.674) 9.068 10.535 ( 3.575 -1.942 -0.783) 4.143 10.667 ( 2.210 7.285 1.794) 7.821 10.822 ( -4.057 -3.553 2.372) 5.891 10.965 ( 0.182 0.551 0.984) 1.143 10.999 ( 8.471 -3.107 3.032) 9.518 11.165 ( 1.256 4.706 -4.045) 6.332 11.231 ( 7.776 -0.247 -5.896) 9.762 11.395 ( -7.257 1.511 1.140) 7.499 11.505 ( -7.072 -6.618 -3.423) 10.273 11.943 ( 0.474 2.640 -3.874) 4.712 12.030 ( -2.311 -3.025 -0.056) 3.808 12.075 ( 3.241 5.188 -0.706) 6.158 12.198 ( -1.301 -0.821 -0.742) 1.708 12.211 ( 0.085 2.956 -2.933) 4.165 12.381 ( -4.830 -8.486 1.651) 9.903 12.613 ( -7.700 -2.520 1.042) 8.169 12.627 ( -6.815 -5.398 1.522) 8.826 13.196 ( 4.747 -1.811 1.961) 5.446 13.234 ( 1.623 -3.145 1.671) 3.913 13.495 ( 3.154 2.737 -0.428) 4.198 13.566 ( 1.100 -4.030 -0.464) 4.203 13.781 ( 1.376 2.755 3.192) 4.435 13.809 ( 1.831 1.272 -2.603) 3.428 13.863 ( 2.503 0.270 -0.218) 2.527 13.955 ( 0.948 -8.886 0.242) 8.939 14.697 ( -1.440 3.304 1.431) 3.878 14.767 ( -1.769 -3.039 2.596) 4.371 15.039 ( -17.531 4.291 -0.566) 18.057 15.156 ( -18.142 -6.787 -2.164) 19.490 16.402 ( 6.057 6.024 11.616) 14.419 16.481 ( 5.627 -1.115 9.845) 11.395 16.944 ( -2.640 7.907 -6.654) 10.666 17.003 ( -3.893 2.866 -8.770) 10.015 17.383 ( 25.357 3.899 0.774) 25.667 17.434 ( 22.231 -0.767 -1.633) 22.304 17.931 ( -1.789 2.945 -1.175) 3.641 18.027 ( -4.953 -2.922 2.821) 6.405 18.489 ( 7.412 3.452 1.776) 8.368 18.693 ( 3.167 -11.433 -6.811) 13.680 19.026 ( -3.871 -1.490 3.113) 5.187 19.082 ( -5.645 -5.477 -3.823) 8.745 19.807 ( -3.355 3.496 -4.348) 6.511 19.853 ( -5.153 0.447 -2.924) 5.942 20.131 ( 2.628 4.371 3.873) 6.404 20.211 ( 1.828 -2.354 1.720) 3.441 20.507 ( 0.749 9.309 4.615) 10.418 20.589 ( -0.108 1.493 -0.951) 1.774 20.922 ( -1.936 1.639 6.478) 6.957 20.968 ( -2.263 -2.040 4.467) 5.406 21.232 ( 6.127 3.517 2.220) 7.405 21.326 ( 10.187 -3.067 -2.007) 10.826 21.433 ( 6.678 2.220 -4.310) 8.252 21.522 ( 8.481 -4.683 -0.510) 9.701 21.788 ( -8.518 12.366 3.746) 15.476 21.911 ( -7.123 1.234 -6.788) 9.917 22.297 ( -16.927 -6.812 -2.929) 18.480 22.328 ( -15.185 -9.694 0.261) 18.018 27.064 ( 0.080 6.107 1.487) 6.286 27.122 ( -0.484 4.397 -2.719) 5.193 27.277 ( 1.098 -2.675 1.587) 3.298 27.360 ( -0.645 -6.907 -1.661) 7.133 27.809 ( -0.220 3.063 0.658) 3.141 27.822 ( 0.424 2.367 -2.069) 3.172 27.919 ( 1.136 -0.987 0.307) 1.536 27.942 ( 1.579 -2.316 -1.555) 3.205 28.237 ( -1.782 5.679 6.060) 8.494 28.333 ( -2.716 -3.278 3.200) 5.326 28.508 ( -3.826 2.875 -0.295) 4.795 28.534 ( -5.463 1.282 -1.257) 5.750 28.646 ( -1.023 4.608 0.349) 4.733 28.716 ( -2.144 2.268 -1.499) 3.462 28.816 ( -0.352 -2.257 0.882) 2.449 28.880 ( -2.491 -4.818 0.719) 5.471 29.165 ( 1.682 2.001 0.639) 2.691 29.193 ( 1.275 1.320 0.089) 1.837 29.203 ( 2.586 -0.794 2.550) 3.718 29.244 ( 3.694 -2.030 -0.671) 4.268 29.626 ( 2.165 6.784 3.611) 7.984 29.768 ( 0.259 -6.060 3.856) 7.187 29.863 ( -1.144 1.009 -7.942) 8.087 29.953 ( -1.724 -7.653 -5.284) 9.458 30.317 ( 7.918 1.993 1.007) 8.227 30.354 ( 6.943 -1.652 1.765) 7.351 30.947 ( -12.556 3.456 -0.260) 13.026 31.015 ( -14.156 -2.769 -0.289) 14.427 31.911 ( 5.565 2.893 9.647) 11.507 31.989 ( 6.141 -4.332 8.183) 11.111 32.167 ( 6.517 3.573 -10.032) 12.485 32.265 ( 6.618 -5.659 -11.094) 14.103 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.900 3.845 -1.317) 4.163 1.748 ( -2.139 -2.475 -0.649) 3.335 1.769 ( 0.118 3.527 -8.442) 9.150 1.818 ( 1.960 -1.406 -6.884) 7.294 2.122 ( 0.804 1.541 4.408) 4.738 2.170 ( 2.897 -2.086 0.647) 3.628 2.181 ( -1.283 2.567 3.530) 4.549 2.230 ( -2.539 -1.238 -0.690) 2.907 2.600 ( 1.360 3.665 3.040) 4.952 2.622 ( 1.085 2.279 0.532) 2.580 2.657 ( -1.896 -1.219 -1.856) 2.920 2.672 ( 0.263 -2.592 -1.165) 2.854 2.926 ( -1.468 4.166 10.376) 11.277 2.982 ( -5.401 1.271 6.989) 8.924 3.099 ( -0.041 4.020 8.660) 9.548 3.154 ( 4.697 1.042 3.844) 6.158 3.226 ( -1.144 1.923 -6.683) 7.047 3.265 ( 4.567 -1.064 -6.916) 8.356 3.358 ( 1.031 2.560 -6.355) 6.928 3.419 ( -3.620 -2.583 -8.821) 9.879 3.816 ( -0.466 0.041 -1.107) 1.202 3.856 ( 0.918 -3.143 -4.333) 5.431 4.012 ( 2.561 -1.150 0.496) 2.850 4.066 ( -1.061 -5.247 -3.634) 6.470 4.283 ( 5.774 6.752 4.961) 10.175 4.312 ( -6.336 6.291 3.439) 9.568 4.383 ( 0.422 -0.948 1.254) 1.628 4.445 ( 0.923 -4.119 -1.933) 4.643 4.811 ( 7.439 2.182 7.864) 11.043 4.843 ( 3.749 -0.070 7.329) 8.233 4.947 ( -2.948 4.109 3.619) 6.218 4.957 ( -12.608 5.251 5.507) 14.726 5.245 ( -3.229 11.037 3.846) 12.126 5.245 ( 3.435 3.647 3.657) 6.202 5.427 ( 3.197 4.602 -2.661) 6.204 5.459 ( -5.418 3.748 -3.850) 7.631 5.621 ( 0.053 -8.506 2.228) 8.793 5.736 ( 6.505 -4.204 -4.537) 8.977 5.796 ( 4.133 0.580 3.555) 5.482 5.837 ( -3.619 -6.854 -2.103) 8.031 6.222 ( -2.429 6.873 0.585) 7.313 6.294 ( 1.074 6.040 -4.726) 7.744 6.413 ( -0.935 -2.228 2.243) 3.297 6.479 ( -1.406 -10.230 -2.807) 10.701 6.615 ( -3.326 -2.800 9.231) 10.203 6.736 ( -5.474 -11.997 2.230) 13.374 7.035 ( 8.207 -2.394 -5.809) 10.336 7.106 ( 12.686 -6.656 -10.319) 17.656 7.568 ( -9.757 9.218 6.220) 14.793 7.697 ( 2.359 12.145 -2.282) 12.581 7.807 ( -1.414 -8.622 3.556) 9.433 7.965 ( 0.843 -8.622 -6.680) 10.939 8.236 ( 3.906 12.563 6.295) 14.584 8.356 ( -0.363 5.743 -0.810) 5.812 8.626 ( -3.554 0.209 2.152) 4.160 8.638 ( -4.278 4.958 0.691) 6.585 8.766 ( -0.601 -2.867 -5.667) 6.379 8.854 ( 0.619 -6.152 -6.619) 9.058 9.088 ( -4.405 -3.804 -0.370) 5.832 9.170 ( 4.610 -9.085 -6.955) 12.335 9.464 ( 2.169 4.609 6.804) 8.500 9.523 ( -1.581 -0.219 2.489) 2.957 9.905 ( -0.343 -0.908 4.006) 4.122 9.951 ( -1.584 -4.165 -0.791) 4.526 10.085 ( 0.961 1.736 1.010) 2.226 10.120 ( -0.764 -1.572 -2.816) 3.314 10.461 ( -2.737 7.478 2.896) 8.474 10.560 ( 1.090 2.331 -1.617) 3.039 10.696 ( 1.468 5.671 0.143) 5.859 10.825 ( 6.925 -2.200 -6.539) 9.775 11.005 ( 1.155 4.694 2.988) 5.683 11.076 ( -3.912 6.660 -3.521) 8.488 11.112 ( 0.249 -4.256 4.845) 6.453 11.242 ( -0.641 -8.169 -3.664) 8.976 11.378 ( 1.152 0.821 -0.301) 1.447 11.440 ( -1.674 -5.708 -3.673) 6.991 11.950 ( -5.172 3.980 2.054) 6.842 11.992 ( 2.499 0.874 -1.912) 3.266 12.112 ( -0.965 -0.195 0.195) 1.003 12.149 ( 2.632 3.208 -2.037) 4.622 12.217 ( -7.233 -1.541 3.964) 8.391 12.356 ( 7.339 -5.063 -7.616) 11.726 12.532 ( -1.570 -3.469 0.788) 3.888 12.572 ( 3.596 -5.363 -3.108) 7.166 13.240 ( 0.105 -1.817 2.620) 3.190 13.252 ( 0.209 -2.485 1.421) 2.870 13.532 ( -3.641 0.477 3.573) 5.124 13.559 ( 0.882 -1.748 1.189) 2.291 13.789 ( 0.051 0.925 1.336) 1.626 13.827 ( -0.214 -2.310 -2.115) 3.140 13.928 ( 1.356 -1.765 1.080) 2.474 13.955 ( 0.222 -3.430 -1.362) 3.698 14.750 ( -3.335 1.025 0.062) 3.490 14.760 ( 7.805 -0.118 -0.872) 7.854 14.861 ( 3.084 -1.218 1.659) 3.707 14.891 ( -7.316 -3.892 -0.910) 8.336 16.489 ( 0.754 5.852 16.901) 17.902 16.545 ( -1.043 0.740 16.331) 16.381 16.884 ( -0.015 7.859 -13.673) 15.770 16.939 ( -0.285 2.708 -14.389) 14.644 17.736 ( 4.581 6.688 3.428) 8.801 17.788 ( -3.675 6.135 -0.630) 7.179 17.843 ( 1.128 -2.379 -0.063) 2.634 17.864 ( -0.734 -1.292 -1.483) 2.099 18.588 ( 1.183 -3.882 4.291) 5.906 18.678 ( -6.265 -11.180 -2.171) 12.999 18.969 ( 0.120 0.374 -0.412) 0.569 19.047 ( 3.995 -6.890 -6.499) 10.280 19.746 ( -3.241 5.322 0.262) 6.237 19.797 ( 0.418 0.680 -3.926) 4.006 20.185 ( 2.345 3.731 2.431) 5.033 20.229 ( 0.535 0.584 -1.295) 1.518 20.512 ( -0.294 7.251 5.755) 9.262 20.586 ( 0.255 1.511 -0.028) 1.533 20.896 ( -0.886 1.322 7.199) 7.372 20.938 ( -0.377 -2.007 3.631) 4.166 21.372 ( 5.325 4.571 3.423) 7.808 21.434 ( -0.551 3.966 -0.682) 4.062 21.515 ( -7.015 0.466 -2.972) 7.633 21.532 ( -1.158 1.142 -4.038) 4.353 21.771 ( 8.269 0.609 2.382) 8.626 21.877 ( -2.435 -3.473 -5.378) 6.849 22.036 ( -8.179 -4.321 2.460) 9.572 22.132 ( 5.629 -9.223 -5.470) 12.111 27.068 ( 0.293 6.479 1.387) 6.633 27.113 ( -0.370 5.236 -2.623) 5.868 27.297 ( 0.520 -5.043 2.468) 5.639 27.337 ( -1.229 -5.922 -1.007) 6.132 27.799 ( -0.746 2.873 1.116) 3.171 27.825 ( -0.157 1.184 -1.057) 1.595 27.930 ( -0.564 0.640 0.821) 1.184 27.962 ( 0.408 -1.338 -1.674) 2.181 28.267 ( 4.504 2.549 3.249) 6.111 28.311 ( 0.504 -1.248 -0.090) 1.349 28.454 ( -0.076 1.416 -0.506) 1.506 28.474 ( -0.326 -0.359 -1.779) 1.844 28.655 ( 1.128 6.373 0.676) 6.507 28.674 ( -1.899 5.819 -1.075) 6.214 28.825 ( -1.118 -4.386 2.118) 4.997 28.842 ( 0.401 -5.239 0.641) 5.293 29.188 ( 0.615 1.932 0.728) 2.154 29.205 ( 0.306 1.417 -0.754) 1.634 29.239 ( 0.136 -0.413 2.825) 2.858 29.280 ( -0.068 -2.948 -0.720) 3.035 29.658 ( 1.613 5.609 4.455) 7.342 29.763 ( 0.277 -2.585 -0.643) 2.678 29.854 ( -0.732 -2.059 -3.471) 4.101 29.925 ( -1.508 -6.891 -6.056) 9.297 30.438 ( 1.295 2.730 0.176) 3.027 30.453 ( 2.130 1.375 -1.040) 2.740 30.798 ( -0.857 -0.837 2.750) 2.999 30.808 ( -3.859 -1.707 1.811) 4.591 31.970 ( 0.197 3.679 10.805) 11.416 32.061 ( 0.657 -4.737 10.177) 11.245 32.242 ( 0.942 2.281 -12.965) 13.198 32.313 ( -1.381 -4.348 -11.886) 12.731 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.682 7.894 -0.497) 7.938 1.759 ( 3.923 2.941 -6.851) 8.425 1.835 ( 3.632 -0.213 -2.198) 4.251 1.903 ( 5.210 -2.139 -4.273) 7.069 2.029 ( -6.667 4.766 6.589) 10.516 2.133 ( -4.079 -2.025 0.876) 4.638 2.222 ( 3.284 -1.490 1.630) 3.958 2.250 ( 2.883 -2.151 1.310) 3.828 2.481 ( -9.899 3.669 3.871) 11.245 2.556 ( -7.174 -2.263 -2.105) 7.811 2.630 ( -5.390 0.837 1.153) 5.575 2.650 ( -0.990 -0.373 -2.117) 2.367 2.884 ( -0.257 0.259 3.422) 3.441 2.935 ( 1.249 -1.969 4.138) 4.749 3.045 ( -5.085 7.774 4.795) 10.454 3.201 ( -2.067 -2.247 -2.411) 3.891 3.279 ( 3.891 3.082 6.061) 7.834 3.295 ( -2.240 2.329 -4.473) 5.518 3.405 ( 7.057 0.084 -7.893) 10.588 3.473 ( 5.760 -3.413 -8.523) 10.839 3.771 ( -5.258 2.034 -1.348) 5.797 3.787 ( -3.505 -0.122 -1.289) 3.737 3.944 ( -6.977 0.519 -0.415) 7.009 3.984 ( -4.924 -1.246 -1.193) 5.217 4.241 ( -1.641 3.499 -0.040) 3.865 4.334 ( -5.324 1.686 2.021) 5.939 4.449 ( 10.804 -0.559 1.438) 10.913 4.567 ( 6.795 -8.116 1.365) 10.672 4.744 ( -4.880 8.584 5.683) 11.393 4.864 ( 0.827 0.124 1.794) 1.979 5.001 ( 9.375 6.328 7.764) 13.719 5.084 ( 8.162 2.654 4.948) 9.906 5.218 ( 3.933 4.379 5.140) 7.814 5.301 ( -0.443 1.031 1.724) 2.057 5.410 ( 3.873 7.486 -0.517) 8.444 5.582 ( 6.342 11.406 2.987) 13.388 5.626 ( 1.111 -14.253 4.175) 14.894 5.774 ( -1.644 -4.367 -3.156) 5.634 5.949 ( 11.796 -0.562 -1.920) 11.965 5.976 ( 14.191 -2.505 -6.144) 15.665 6.131 ( -5.087 5.675 2.703) 8.086 6.321 ( 1.496 6.121 -2.945) 6.955 6.382 ( -3.463 -8.583 -1.545) 9.384 6.463 ( 0.573 -6.358 0.268) 6.389 6.555 ( -0.153 -6.567 2.842) 7.157 6.626 ( 0.062 -9.336 1.299) 9.426 7.137 ( 1.160 1.901 -12.564) 12.760 7.236 ( -3.242 -6.108 -10.047) 12.197 7.430 ( -2.351 15.624 9.265) 18.316 7.722 ( -3.048 -10.438 9.467) 14.418 7.858 ( 6.200 7.677 -3.738) 10.552 8.029 ( 3.749 -5.472 -1.983) 6.923 8.235 ( -4.111 4.579 -2.174) 6.526 8.316 ( -3.614 5.268 -3.949) 7.510 8.456 ( -11.520 1.102 4.068) 12.267 8.536 ( -1.738 5.283 8.134) 9.853 8.674 ( -9.292 -1.173 0.182) 9.368 8.791 ( -5.842 -5.415 -5.057) 9.435 9.059 ( 1.841 3.187 -3.864) 5.336 9.263 ( 5.012 -12.350 -4.013) 13.919 9.526 ( 3.440 7.683 2.881) 8.898 9.637 ( 6.154 0.661 2.177) 6.561 9.776 ( -11.388 -3.538 5.363) 13.075 9.884 ( -4.798 -9.412 -3.575) 11.153 10.027 ( -3.698 0.899 0.016) 3.806 10.056 ( -1.585 -1.919 3.075) 3.956 10.420 ( -0.367 6.906 -3.119) 7.587 10.550 ( -1.706 -4.349 -1.556) 4.924 10.714 ( -3.778 15.482 -2.423) 16.119 10.883 ( 1.193 -0.201 -1.760) 2.136 10.950 ( -2.465 3.773 2.108) 4.975 11.076 ( -4.752 1.157 -0.506) 4.917 11.097 ( -1.129 1.704 -1.281) 2.412 11.205 ( -8.565 -8.103 -3.493) 12.297 11.419 ( 5.938 -0.968 0.816) 6.071 11.457 ( 7.247 -5.385 -1.274) 9.118 11.888 ( -0.567 4.222 0.757) 4.327 11.983 ( -2.019 -3.007 0.694) 3.688 12.080 ( -0.488 3.226 2.417) 4.060 12.144 ( 1.585 -4.736 -1.420) 5.192 12.275 ( 6.276 6.109 -3.580) 9.462 12.445 ( 1.369 -8.270 -3.014) 8.908 12.643 ( 10.903 -1.502 -2.029) 11.191 12.680 ( 6.429 -5.350 -3.279) 8.983 13.189 ( -6.322 -0.751 2.713) 6.921 13.236 ( -1.900 -3.722 1.856) 4.572 13.454 ( -2.164 4.316 2.708) 5.535 13.535 ( -3.206 -4.323 1.700) 5.644 13.762 ( -3.022 0.705 1.254) 3.346 13.819 ( -0.190 -3.817 1.083) 3.972 13.887 ( -3.005 2.453 -2.583) 4.660 13.980 ( 0.366 -5.649 -1.792) 5.937 14.730 ( 2.711 4.540 -1.288) 5.442 14.805 ( 0.548 -1.691 -0.372) 1.816 15.034 ( 18.284 0.127 -0.368) 18.288 15.099 ( 17.455 -5.214 2.624) 18.405 16.425 ( -5.623 4.257 11.909) 13.841 16.452 ( -6.374 1.555 10.203) 12.130 16.953 ( 4.470 7.109 -7.884) 11.518 16.985 ( 2.429 3.356 -7.013) 8.146 17.381 ( -25.747 4.451 0.190) 26.130 17.470 ( -22.779 -3.704 -3.006) 23.273 17.893 ( 2.447 8.305 1.309) 8.757 18.080 ( 6.963 -7.328 -1.747) 10.258 18.498 ( -7.955 -1.246 3.469) 8.768 18.561 ( -4.138 -5.731 1.589) 7.245 19.032 ( 4.011 1.002 -0.441) 4.158 19.138 ( 2.933 -7.667 -5.432) 9.843 19.740 ( 3.289 4.887 1.172) 6.006 19.839 ( 3.417 -3.787 -1.244) 5.250 20.203 ( -0.033 5.577 -2.669) 6.183 20.250 ( 0.885 1.279 -1.440) 2.120 20.497 ( -1.310 6.883 4.907) 8.554 20.589 ( -0.601 0.148 -0.682) 0.921 20.892 ( 0.602 0.939 8.446) 8.520 20.949 ( 1.088 -3.252 6.042) 6.947 21.274 ( -7.745 3.947 1.082) 8.760 21.340 ( -8.695 -2.723 -3.351) 9.708 21.386 ( -8.596 5.784 -1.214) 10.431 21.514 ( -1.795 -2.775 -0.276) 3.317 21.790 ( 2.615 7.106 1.825) 7.789 21.939 ( 8.617 1.152 -7.729) 11.633 22.199 ( 17.245 -0.613 3.469) 17.601 22.396 ( 15.613 -13.499 -3.537) 20.940 27.074 ( 0.251 6.418 1.535) 6.604 27.112 ( 0.285 5.170 -2.671) 5.826 27.288 ( -0.974 -4.367 1.849) 4.842 27.323 ( -0.615 -6.011 0.181) 6.045 27.782 ( -0.927 2.981 1.443) 3.439 27.821 ( 0.010 0.395 -0.154) 0.424 27.902 ( -1.853 1.843 0.291) 2.630 27.959 ( -0.566 -2.003 -1.599) 2.625 28.349 ( 3.184 2.446 -3.138) 5.096 28.377 ( 5.462 -0.438 -0.299) 5.488 28.509 ( 5.428 2.870 0.466) 6.158 28.528 ( 4.651 0.621 -2.063) 5.126 28.650 ( -0.356 3.754 -0.120) 3.773 28.683 ( 2.421 2.439 1.638) 3.807 28.801 ( 0.107 -0.335 1.907) 1.939 28.872 ( 1.919 -6.138 1.259) 6.553 29.177 ( -2.542 2.667 0.653) 3.742 29.201 ( -0.722 0.844 -0.621) 1.272 29.209 ( -2.207 -0.429 0.627) 2.334 29.249 ( -2.743 -3.108 -0.611) 4.190 29.701 ( 2.201 5.194 4.839) 7.433 29.763 ( -1.965 3.574 -7.137) 8.220 29.838 ( 0.051 -8.123 2.824) 8.600 29.890 ( -1.067 -7.734 -4.414) 8.968 30.347 ( -7.210 3.172 -1.763) 8.072 30.407 ( -5.817 -2.300 -3.385) 7.112 30.883 ( 10.905 3.925 5.385) 12.780 30.953 ( 12.463 -2.672 5.169) 13.754 31.922 ( -4.774 3.162 8.211) 10.011 32.006 ( -6.200 -4.616 8.158) 11.238 32.196 ( -5.538 0.357 -11.900) 13.130 32.226 ( -7.028 -2.392 -9.387) 11.968 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.115 14.236 8.248) 16.588 1.815 ( -3.580 10.970 6.022) 13.017 1.885 ( 6.402 7.949 -8.208) 13.097 1.949 ( -0.584 -3.738 3.626) 5.240 2.003 ( 3.326 -2.303 -3.925) 5.636 2.081 ( -1.281 -3.281 0.165) 3.526 2.237 ( -1.357 -2.317 -2.593) 3.733 2.318 ( 2.768 -6.596 1.249) 7.261 2.355 ( -3.396 -0.021 -0.728) 3.473 2.414 ( -3.677 -3.361 0.783) 5.043 2.517 ( -4.627 4.860 0.836) 6.762 2.607 ( -2.890 -2.900 -1.088) 4.236 2.882 ( -0.665 -0.812 -0.211) 1.070 2.919 ( -2.845 -4.990 -0.607) 5.776 2.979 ( -1.718 3.058 4.764) 5.916 3.097 ( -7.734 -7.232 2.261) 10.827 3.269 ( -0.374 4.415 -0.769) 4.497 3.325 ( -0.087 -0.774 -4.030) 4.105 3.496 ( 5.103 6.612 -4.881) 9.674 3.593 ( 3.272 -1.026 -10.279) 10.836 3.674 ( -3.407 9.617 2.592) 10.527 3.761 ( -0.413 1.156 -1.943) 2.298 3.868 ( -0.216 3.803 -1.339) 4.037 3.924 ( -0.973 0.328 -0.740) 1.266 4.140 ( -6.709 2.107 12.012) 13.919 4.281 ( 0.264 -11.538 0.278) 11.545 4.640 ( 5.748 5.614 0.913) 8.086 4.697 ( 5.797 4.366 -0.218) 7.261 4.719 ( 3.955 -0.790 -1.701) 4.377 4.894 ( 2.966 -2.400 1.724) 4.186 5.083 ( -0.593 9.235 4.907) 10.475 5.125 ( -3.197 3.991 0.592) 5.148 5.262 ( -1.142 2.317 -5.236) 5.838 5.320 ( -3.022 -10.843 -1.334) 11.335 5.590 ( 14.353 4.674 6.244) 16.335 5.674 ( 2.813 -6.054 12.287) 13.983 5.705 ( 7.085 9.937 7.364) 14.254 5.811 ( 4.662 -3.230 -0.001) 5.672 5.948 ( -1.205 -0.135 1.017) 1.582 6.109 ( -1.068 -11.508 1.693) 11.681 6.235 ( 6.716 5.360 -5.600) 10.256 6.333 ( 2.302 6.456 -1.976) 7.133 6.402 ( 4.711 -10.257 -1.397) 11.374 6.478 ( 0.578 -6.346 1.077) 6.463 6.663 ( 9.257 8.753 -2.898) 13.066 6.899 ( 17.031 -9.723 -6.454) 20.646 7.013 ( -10.658 3.436 -6.199) 12.799 7.123 ( -0.480 -6.520 -6.417) 9.160 7.376 ( -2.800 12.386 12.238) 17.636 7.611 ( -5.326 -4.636 4.135) 8.183 7.893 ( -5.397 4.563 -0.940) 7.130 8.014 ( -10.395 -5.683 3.944) 12.486 8.160 ( -7.653 0.104 -3.685) 8.495 8.210 ( -1.008 -4.131 -1.788) 4.612 8.306 ( -3.902 5.822 0.410) 7.021 8.411 ( -9.400 -5.617 -1.512) 11.054 8.593 ( 3.398 11.540 0.603) 12.045 8.711 ( -0.828 4.625 -3.779) 6.030 9.128 ( 3.938 6.010 -0.984) 7.252 9.376 ( 4.793 -1.769 1.806) 5.419 9.458 ( -9.326 -3.784 -1.279) 10.145 9.591 ( -2.355 1.108 -1.648) 3.080 9.683 ( -1.625 -5.724 0.554) 5.976 9.837 ( -0.845 -13.073 -4.639) 13.897 10.055 ( 4.589 0.073 3.611) 5.840 10.076 ( 3.135 -1.648 5.515) 6.554 10.410 ( -1.256 2.885 -3.495) 4.703 10.463 ( -6.170 -1.148 0.380) 6.287 10.634 ( -3.104 11.104 -2.405) 11.777 10.825 ( -6.384 -4.862 -1.408) 8.147 10.926 ( -4.632 4.144 2.811) 6.821 10.964 ( -5.844 1.536 -1.776) 6.298 11.016 ( -1.508 1.796 -2.266) 3.262 11.061 ( -2.363 -2.766 -3.246) 4.875 11.543 ( 4.757 1.817 2.377) 5.620 11.608 ( 5.643 -3.057 -0.170) 6.420 11.907 ( 1.974 3.816 2.768) 5.111 12.005 ( 3.341 -5.520 -1.169) 6.557 12.125 ( 4.459 2.311 -1.570) 5.262 12.200 ( 3.577 -5.117 -4.437) 7.660 12.348 ( 0.826 3.457 -1.732) 3.954 12.422 ( -3.560 -4.080 -0.549) 5.442 12.802 ( 5.907 -1.598 -2.915) 6.778 12.854 ( 9.614 -4.829 -1.332) 10.840 13.028 ( -8.358 1.811 2.460) 8.898 13.159 ( -6.419 -8.961 2.643) 11.335 13.454 ( 1.186 2.782 1.294) 3.289 13.480 ( -1.206 0.072 -0.085) 1.211 13.713 ( -1.299 2.196 2.376) 3.487 13.814 ( -0.092 -6.741 3.261) 7.489 13.839 ( -1.955 5.278 -4.455) 7.178 13.961 ( -2.078 -6.358 -3.052) 7.353 14.817 ( 4.729 4.322 -0.623) 6.436 14.846 ( 2.373 1.817 0.613) 3.050 15.456 ( 24.092 0.151 0.745) 24.104 15.508 ( 23.829 -3.836 1.560) 24.186 16.332 ( -3.055 2.881 7.425) 8.530 16.355 ( -3.242 0.402 3.647) 4.896 16.816 ( -23.900 3.291 2.006) 24.208 16.823 ( -29.150 2.067 2.187) 29.305 17.003 ( -0.253 5.147 -3.902) 6.463 17.136 ( -6.146 -7.367 -9.689) 13.635 17.953 ( 5.331 7.991 1.366) 9.702 18.149 ( 0.917 -10.040 -1.866) 10.253 18.397 ( -2.134 3.830 1.087) 4.517 18.454 ( -7.062 -1.924 3.691) 8.197 19.076 ( 0.652 0.225 2.293) 2.394 19.161 ( 0.507 -5.959 -4.603) 7.547 19.844 ( 6.033 1.021 0.848) 6.177 19.909 ( 3.112 -4.745 0.117) 5.675 20.194 ( -1.087 5.614 -4.444) 7.242 20.232 ( -3.030 0.910 -2.475) 4.017 20.469 ( -1.086 7.339 4.287) 8.568 20.551 ( -2.576 1.510 -1.392) 3.295 20.921 ( 2.031 0.652 10.280) 10.499 20.983 ( 2.482 -3.985 7.370) 8.738 21.149 ( -4.682 2.220 1.885) 5.514 21.203 ( -4.861 -1.481 -3.438) 6.136 21.285 ( -2.161 5.459 -0.759) 5.920 21.419 ( -4.700 -6.343 -4.044) 8.870 21.932 ( 7.818 15.776 4.087) 18.075 22.107 ( 7.290 4.225 -8.374) 11.879 22.506 ( 12.618 -4.220 3.972) 13.886 22.655 ( 9.817 -13.426 -3.377) 16.971 27.077 ( 0.047 6.190 1.905) 6.477 27.123 ( 0.772 4.654 -3.040) 5.613 27.272 ( -0.783 -3.955 2.219) 4.601 27.307 ( -0.582 -4.894 -0.995) 5.028 27.770 ( -0.205 3.654 1.528) 3.966 27.825 ( 0.117 1.365 -0.751) 1.563 27.874 ( -0.752 0.400 0.747) 1.133 27.947 ( -0.528 -3.194 -2.255) 3.945 28.409 ( 2.231 4.891 -1.566) 5.599 28.439 ( 0.815 3.130 -0.249) 3.245 28.576 ( 1.651 0.011 -2.622) 3.098 28.617 ( -0.635 -2.741 0.821) 2.931 28.685 ( 7.926 5.862 1.860) 10.032 28.805 ( 8.482 -2.741 -0.676) 8.940 28.854 ( 5.495 2.580 1.001) 6.153 28.919 ( 3.085 -4.738 1.320) 5.806 29.099 ( -4.750 3.023 0.923) 5.706 29.143 ( -5.097 1.264 -0.828) 5.316 29.175 ( -1.971 -1.463 -1.105) 2.692 29.203 ( -1.862 -2.100 -0.636) 2.878 29.666 ( -4.408 1.166 -3.628) 5.826 29.702 ( -5.074 -0.187 0.593) 5.112 29.855 ( 3.281 -1.500 1.038) 3.754 29.943 ( 5.135 -8.098 2.096) 9.816 30.201 ( -7.491 3.445 -3.313) 8.886 30.290 ( -5.785 -5.089 -3.972) 8.668 31.140 ( 13.894 4.571 6.068) 15.835 31.215 ( 13.231 -2.207 5.722) 14.584 31.816 ( -5.280 1.609 3.620) 6.601 31.866 ( -5.849 -2.808 3.568) 7.404 32.034 ( -10.600 0.322 -7.508) 12.994 32.057 ( -9.689 -1.798 -5.465) 11.269 =================== 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 3/23400 10.0 627.096 612.225 341.996 0.000 -15.535 0.000 3/23400 20.0 83.469 108.034 58.603 0.000 -5.041 0.000 3/23400 30.0 31.292 41.553 23.186 0.000 -2.081 0.000 3/23400 40.0 17.524 23.158 13.555 0.000 -1.170 0.000 3/23400 50.0 11.909 15.575 9.528 0.000 -0.783 0.000 3/23400 60.0 9.027 11.667 7.387 0.000 -0.584 0.000 3/23400 70.0 7.319 9.350 6.072 0.000 -0.469 0.000 3/23400 80.0 6.202 7.836 5.183 0.000 -0.396 0.000 3/23400 90.0 5.416 6.773 4.541 0.000 -0.346 0.000 3/23400 100.0 4.830 5.987 4.055 0.000 -0.310 0.000 3/23400 110.0 4.376 5.380 3.672 0.000 -0.283 0.000 3/23400 120.0 4.012 4.896 3.362 0.000 -0.261 0.000 3/23400 130.0 3.712 4.500 3.106 0.000 -0.243 0.000 3/23400 140.0 3.460 4.169 2.889 0.000 -0.228 0.000 3/23400 150.0 3.245 3.888 2.703 0.000 -0.215 0.000 3/23400 160.0 3.059 3.646 2.541 0.000 -0.204 0.000 3/23400 170.0 2.896 3.434 2.400 0.000 -0.193 0.000 3/23400 180.0 2.751 3.248 2.274 0.000 -0.184 0.000 3/23400 190.0 2.622 3.082 2.162 0.000 -0.176 0.000 3/23400 200.0 2.506 2.934 2.061 0.000 -0.168 0.000 3/23400 210.0 2.400 2.800 1.970 0.000 -0.161 0.000 3/23400 220.0 2.304 2.679 1.887 0.000 -0.155 0.000 3/23400 230.0 2.217 2.568 1.811 0.000 -0.149 0.000 3/23400 240.0 2.136 2.467 1.742 0.000 -0.143 0.000 3/23400 250.0 2.061 2.374 1.678 0.000 -0.138 0.000 3/23400 260.0 1.992 2.287 1.619 0.000 -0.133 0.000 3/23400 270.0 1.928 2.208 1.564 0.000 -0.128 0.000 3/23400 280.0 1.868 2.134 1.513 0.000 -0.124 0.000 3/23400 290.0 1.812 2.065 1.465 0.000 -0.120 0.000 3/23400 300.0 1.759 2.000 1.420 0.000 -0.116 0.000 3/23400 310.0 1.710 1.939 1.378 0.000 -0.113 0.000 3/23400 320.0 1.663 1.883 1.339 0.000 -0.109 0.000 3/23400 330.0 1.619 1.829 1.302 0.000 -0.106 0.000 3/23400 340.0 1.577 1.779 1.267 0.000 -0.103 0.000 3/23400 350.0 1.538 1.731 1.234 0.000 -0.100 0.000 3/23400 360.0 1.500 1.686 1.203 0.000 -0.098 0.000 3/23400 370.0 1.464 1.643 1.173 0.000 -0.095 0.000 3/23400 380.0 1.431 1.602 1.145 0.000 -0.093 0.000 3/23400 390.0 1.398 1.564 1.118 0.000 -0.090 0.000 3/23400 400.0 1.367 1.527 1.092 0.000 -0.088 0.000 3/23400 410.0 1.338 1.492 1.068 0.000 -0.086 0.000 3/23400 420.0 1.309 1.458 1.044 0.000 -0.084 0.000 3/23400 430.0 1.282 1.426 1.022 0.000 -0.082 0.000 3/23400 440.0 1.256 1.395 1.001 0.000 -0.080 0.000 3/23400 450.0 1.231 1.366 0.980 0.000 -0.078 0.000 3/23400 460.0 1.207 1.338 0.960 0.000 -0.077 0.000 3/23400 470.0 1.184 1.311 0.941 0.000 -0.075 0.000 3/23400 480.0 1.162 1.285 0.923 0.000 -0.074 0.000 3/23400 490.0 1.140 1.260 0.906 0.000 -0.072 0.000 3/23400 500.0 1.120 1.236 0.889 0.000 -0.071 0.000 3/23400 510.0 1.100 1.213 0.873 0.000 -0.069 0.000 3/23400 520.0 1.081 1.191 0.857 0.000 -0.068 0.000 3/23400 530.0 1.062 1.169 0.842 0.000 -0.067 0.000 3/23400 540.0 1.044 1.149 0.828 0.000 -0.065 0.000 3/23400 550.0 1.027 1.129 0.814 0.000 -0.064 0.000 3/23400 560.0 1.010 1.110 0.800 0.000 -0.063 0.000 3/23400 570.0 0.994 1.091 0.787 0.000 -0.062 0.000 3/23400 580.0 0.978 1.073 0.774 0.000 -0.061 0.000 3/23400 590.0 0.963 1.055 0.762 0.000 -0.060 0.000 3/23400 600.0 0.948 1.039 0.750 0.000 -0.059 0.000 3/23400 610.0 0.934 1.022 0.738 0.000 -0.058 0.000 3/23400 620.0 0.920 1.006 0.727 0.000 -0.057 0.000 3/23400 630.0 0.906 0.991 0.716 0.000 -0.056 0.000 3/23400 640.0 0.893 0.976 0.706 0.000 -0.055 0.000 3/23400 650.0 0.880 0.962 0.696 0.000 -0.054 0.000 3/23400 660.0 0.868 0.948 0.686 0.000 -0.053 0.000 3/23400 670.0 0.856 0.934 0.676 0.000 -0.053 0.000 3/23400 680.0 0.844 0.921 0.666 0.000 -0.052 0.000 3/23400 690.0 0.832 0.908 0.657 0.000 -0.051 0.000 3/23400 700.0 0.821 0.895 0.648 0.000 -0.050 0.000 3/23400 710.0 0.811 0.883 0.640 0.000 -0.050 0.000 3/23400 720.0 0.800 0.871 0.631 0.000 -0.049 0.000 3/23400 730.0 0.790 0.860 0.623 0.000 -0.048 0.000 3/23400 740.0 0.780 0.848 0.615 0.000 -0.048 0.000 3/23400 750.0 0.770 0.837 0.607 0.000 -0.047 0.000 3/23400 760.0 0.760 0.827 0.600 0.000 -0.046 0.000 3/23400 770.0 0.751 0.816 0.592 0.000 -0.046 0.000 3/23400 780.0 0.742 0.806 0.585 0.000 -0.045 0.000 3/23400 790.0 0.733 0.796 0.578 0.000 -0.045 0.000 3/23400 800.0 0.724 0.787 0.571 0.000 -0.044 0.000 3/23400 810.0 0.716 0.777 0.564 0.000 -0.044 0.000 3/23400 820.0 0.707 0.768 0.557 0.000 -0.043 0.000 3/23400 830.0 0.699 0.759 0.551 0.000 -0.042 0.000 3/23400 840.0 0.691 0.750 0.545 0.000 -0.042 0.000 3/23400 850.0 0.684 0.741 0.539 0.000 -0.041 0.000 3/23400 860.0 0.676 0.733 0.533 0.000 -0.041 0.000 3/23400 870.0 0.669 0.725 0.527 0.000 -0.040 0.000 3/23400 880.0 0.661 0.717 0.521 0.000 -0.040 0.000 3/23400 890.0 0.654 0.709 0.515 0.000 -0.040 0.000 3/23400 900.0 0.647 0.701 0.510 0.000 -0.039 0.000 3/23400 910.0 0.641 0.694 0.504 0.000 -0.039 0.000 3/23400 920.0 0.634 0.686 0.499 0.000 -0.038 0.000 3/23400 930.0 0.627 0.679 0.494 0.000 -0.038 0.000 3/23400 940.0 0.621 0.672 0.489 0.000 -0.037 0.000 3/23400 950.0 0.615 0.665 0.484 0.000 -0.037 0.000 3/23400 960.0 0.609 0.658 0.479 0.000 -0.037 0.000 3/23400 970.0 0.603 0.652 0.474 0.000 -0.036 0.000 3/23400 980.0 0.597 0.645 0.469 0.000 -0.036 0.000 3/23400 990.0 0.591 0.639 0.465 0.000 -0.036 0.000 3/23400 1000.0 0.585 0.633 0.460 0.000 -0.035 0.000 3/23400 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:33:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|