----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:08:19]------------------------- 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 6.515455060296992 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): *1 Na 0.63988788815355 0.77779000582278 0.36236795205513 22.990 *2 Na 0.83341560326534 0.06785268550521 0.60901646350807 22.990 3 Na 0.36011211184645 0.27779000582278 0.13763204794487 22.990 4 Na 0.16658439673466 0.56785268550521 0.89098353649193 22.990 *5 Na 0.35088734335653 0.61271276800094 0.57877888287056 22.990 6 Na 0.64911265664347 0.38728723199906 0.42122111712944 22.990 7 Na 0.36011211184645 0.22220999417722 0.63763204794488 22.990 8 Na 0.63988788815355 0.72220999417722 0.86236795205512 22.990 9 Na 0.83341560326534 0.43214731449479 0.10901646350807 22.990 10 Na 0.35088734335653 0.88728723199906 0.07877888287056 22.990 11 Na 0.16658439673466 0.93214731449479 0.39098353649193 22.990 12 Na 0.64911265664347 0.11271276800094 0.92122111712944 22.990 *13 Li 0.05036778715733 0.87305832893755 0.80372888543555 6.941 14 Li 0.05036778715733 0.62694167106245 0.30372888543555 6.941 15 Li 0.94963221284267 0.12694167106245 0.19627111456445 6.941 16 Li 0.94963221284267 0.37305832893755 0.69627111456445 6.941 *17 Be 0.62291790477066 0.42005857462314 0.84092832614813 9.012 18 Be 0.62291790477066 0.07994142537686 0.34092832614813 9.012 *19 Be 0.10363238923695 0.16466485977174 0.91132544498046 9.012 20 Be 0.37708209522934 0.92005857462314 0.65907167385187 9.012 21 Be 0.89636761076305 0.83533514022826 0.08867455501954 9.012 22 Be 0.37708209522934 0.57994142537686 0.15907167385187 9.012 23 Be 0.89636761076305 0.66466485977174 0.58867455501954 9.012 24 Be 0.10363238923695 0.33533514022826 0.41132544498046 9.012 *25 F 0.85319491324527 0.78413196738631 0.68942110101061 18.998 *26 F 0.31874388057082 0.81258755641549 0.77061735475953 18.998 *27 F 0.30625744474784 0.09780574124942 0.97210643781476 18.998 28 F 0.30625744474784 0.40219425875058 0.47210643781476 18.998 *29 F 0.96154078238774 0.05397537931076 0.83730627700215 18.998 *30 F 0.01617228223712 0.72206948586919 0.46788693148654 18.998 *31 F 0.54222083108340 0.47863295864627 0.21936808382275 18.998 32 F 0.54222083108340 0.02136704135373 0.71936808382274 18.998 33 F 0.69374255525216 0.90219425875058 0.02789356218524 18.998 34 F 0.01617228223712 0.77793051413081 0.96788693148654 18.998 35 F 0.68125611942918 0.31258755641549 0.72938264524047 18.998 36 F 0.98382771776288 0.22206948586920 0.03211306851346 18.998 37 F 0.31874388057082 0.68741244358451 0.27061735475953 18.998 38 F 0.96154078238774 0.44602462068924 0.33730627700215 18.998 *39 F 0.81942937482062 0.50649326547919 0.88584818008676 18.998 40 F 0.81942937482062 0.99350673452081 0.38584818008675 18.998 *41 F 0.55946464471264 0.33809569720730 0.96501836810421 18.998 42 F 0.68125611942918 0.18741244358451 0.22938264524047 18.998 43 F 0.44053535528736 0.83809569720730 0.53498163189579 18.998 44 F 0.03845921761226 0.55397537931076 0.66269372299785 18.998 45 F 0.55946464471264 0.16190430279270 0.46501836810421 18.998 46 F 0.45777916891660 0.52136704135373 0.78063191617726 18.998 47 F 0.18057062517938 0.00649326547919 0.61415181991324 18.998 48 F 0.18057062517938 0.49350673452081 0.11415181991324 18.998 49 F 0.44053535528736 0.66190430279270 0.03498163189579 18.998 50 F 0.85319491324527 0.71586803261369 0.18942110101061 18.998 51 F 0.45777916891660 0.97863295864627 0.28063191617726 18.998 52 F 0.69374255525216 0.59780574124942 0.52789356218524 18.998 53 F 0.14680508675473 0.21586803261369 0.31057889898939 18.998 54 F 0.14680508675473 0.28413196738631 0.81057889898939 18.998 55 F 0.98382771776288 0.27793051413080 0.53211306851346 18.998 56 F 0.03845921761226 0.94602462068924 0.16269372299785 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.515455060296992 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): *1 Na 0.63988788815355 0.77779000582278 0.36236795205513 22.990 > 1 *2 Na 0.83341560326534 0.06785268550521 0.60901646350807 22.990 > 2 3 Na 0.36011211184645 0.27779000582278 0.13763204794487 22.990 > 3 4 Na 0.16658439673466 0.56785268550521 0.89098353649193 22.990 > 4 *5 Na 0.35088734335653 0.61271276800094 0.57877888287056 22.990 > 5 6 Na 0.64911265664347 0.38728723199906 0.42122111712944 22.990 > 6 7 Na 0.36011211184645 0.22220999417722 0.63763204794488 22.990 > 7 8 Na 0.63988788815355 0.72220999417722 0.86236795205512 22.990 > 8 9 Na 0.83341560326534 0.43214731449479 0.10901646350807 22.990 > 9 10 Na 0.35088734335653 0.88728723199906 0.07877888287056 22.990 > 10 11 Na 0.16658439673466 0.93214731449479 0.39098353649193 22.990 > 11 12 Na 0.64911265664347 0.11271276800094 0.92122111712944 22.990 > 12 *13 Li 0.05036778715733 0.87305832893755 0.80372888543555 6.941 > 13 14 Li 0.05036778715733 0.62694167106245 0.30372888543555 6.941 > 14 15 Li 0.94963221284267 0.12694167106245 0.19627111456445 6.941 > 15 16 Li 0.94963221284267 0.37305832893755 0.69627111456445 6.941 > 16 *17 Be 0.62291790477066 0.42005857462314 0.84092832614813 9.012 > 17 18 Be 0.62291790477066 0.07994142537686 0.34092832614813 9.012 > 18 *19 Be 0.10363238923695 0.16466485977174 0.91132544498046 9.012 > 19 20 Be 0.37708209522934 0.92005857462314 0.65907167385187 9.012 > 20 21 Be 0.89636761076305 0.83533514022826 0.08867455501954 9.012 > 21 22 Be 0.37708209522934 0.57994142537686 0.15907167385187 9.012 > 22 23 Be 0.89636761076305 0.66466485977174 0.58867455501954 9.012 > 23 24 Be 0.10363238923695 0.33533514022826 0.41132544498046 9.012 > 24 *25 F 0.85319491324527 0.78413196738631 0.68942110101061 18.998 > 25 *26 F 0.31874388057082 0.81258755641549 0.77061735475953 18.998 > 26 *27 F 0.30625744474784 0.09780574124942 0.97210643781476 18.998 > 27 28 F 0.30625744474784 0.40219425875058 0.47210643781476 18.998 > 28 *29 F 0.96154078238774 0.05397537931076 0.83730627700215 18.998 > 29 *30 F 0.01617228223712 0.72206948586919 0.46788693148654 18.998 > 30 *31 F 0.54222083108340 0.47863295864627 0.21936808382275 18.998 > 31 32 F 0.54222083108340 0.02136704135373 0.71936808382274 18.998 > 32 33 F 0.69374255525216 0.90219425875058 0.02789356218524 18.998 > 33 34 F 0.01617228223712 0.77793051413081 0.96788693148654 18.998 > 34 35 F 0.68125611942918 0.31258755641549 0.72938264524047 18.998 > 35 36 F 0.98382771776288 0.22206948586920 0.03211306851346 18.998 > 36 37 F 0.31874388057082 0.68741244358451 0.27061735475953 18.998 > 37 38 F 0.96154078238774 0.44602462068924 0.33730627700215 18.998 > 38 *39 F 0.81942937482062 0.50649326547919 0.88584818008676 18.998 > 39 40 F 0.81942937482062 0.99350673452081 0.38584818008675 18.998 > 40 *41 F 0.55946464471264 0.33809569720730 0.96501836810421 18.998 > 41 42 F 0.68125611942918 0.18741244358451 0.22938264524047 18.998 > 42 43 F 0.44053535528736 0.83809569720730 0.53498163189579 18.998 > 43 44 F 0.03845921761226 0.55397537931076 0.66269372299785 18.998 > 44 45 F 0.55946464471264 0.16190430279270 0.46501836810421 18.998 > 45 46 F 0.45777916891660 0.52136704135373 0.78063191617726 18.998 > 46 47 F 0.18057062517938 0.00649326547919 0.61415181991324 18.998 > 47 48 F 0.18057062517938 0.49350673452081 0.11415181991324 18.998 > 48 49 F 0.44053535528736 0.66190430279270 0.03498163189579 18.998 > 49 50 F 0.85319491324527 0.71586803261369 0.18942110101061 18.998 > 50 51 F 0.45777916891660 0.97863295864627 0.28063191617726 18.998 > 51 52 F 0.69374255525216 0.59780574124942 0.52789356218524 18.998 > 52 53 F 0.14680508675473 0.21586803261369 0.31057889898939 18.998 > 53 54 F 0.14680508675473 0.28413196738631 0.81057889898939 18.998 > 54 55 F 0.98382771776288 0.27793051413080 0.53211306851346 18.998 > 55 56 F 0.03845921761226 0.94602462068924 0.16269372299785 18.998 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.030910120593983 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): *1 Na 0.31994394407678 0.77779000582278 0.36236795205513 22.990 > 1 2 Na 0.81994394407678 0.77779000582278 0.36236795205513 22.990 > 1 *3 Na 0.41670780163267 0.06785268550521 0.60901646350807 22.990 > 2 4 Na 0.91670780163267 0.06785268550521 0.60901646350807 22.990 > 2 5 Na 0.18005605592322 0.27779000582278 0.13763204794487 22.990 > 3 6 Na 0.68005605592322 0.27779000582278 0.13763204794487 22.990 > 3 7 Na 0.08329219836733 0.56785268550521 0.89098353649193 22.990 > 4 8 Na 0.58329219836733 0.56785268550521 0.89098353649193 22.990 > 4 *9 Na 0.17544367167827 0.61271276800094 0.57877888287056 22.990 > 5 10 Na 0.67544367167827 0.61271276800094 0.57877888287056 22.990 > 5 11 Na 0.32455632832173 0.38728723199906 0.42122111712944 22.990 > 6 12 Na 0.82455632832173 0.38728723199906 0.42122111712944 22.990 > 6 13 Na 0.18005605592322 0.22220999417722 0.63763204794488 22.990 > 7 14 Na 0.68005605592322 0.22220999417722 0.63763204794488 22.990 > 7 15 Na 0.31994394407678 0.72220999417722 0.86236795205512 22.990 > 8 16 Na 0.81994394407678 0.72220999417722 0.86236795205512 22.990 > 8 17 Na 0.41670780163267 0.43214731449479 0.10901646350807 22.990 > 9 18 Na 0.91670780163267 0.43214731449479 0.10901646350807 22.990 > 9 19 Na 0.17544367167827 0.88728723199906 0.07877888287056 22.990 > 10 20 Na 0.67544367167827 0.88728723199906 0.07877888287056 22.990 > 10 21 Na 0.08329219836733 0.93214731449479 0.39098353649193 22.990 > 11 22 Na 0.58329219836733 0.93214731449479 0.39098353649193 22.990 > 11 23 Na 0.32455632832173 0.11271276800094 0.92122111712944 22.990 > 12 24 Na 0.82455632832173 0.11271276800094 0.92122111712944 22.990 > 12 *25 Li 0.02518389357867 0.87305832893755 0.80372888543555 6.941 > 13 26 Li 0.52518389357867 0.87305832893755 0.80372888543555 6.941 > 13 27 Li 0.02518389357867 0.62694167106245 0.30372888543555 6.941 > 14 28 Li 0.52518389357867 0.62694167106245 0.30372888543555 6.941 > 14 29 Li 0.47481610642133 0.12694167106245 0.19627111456445 6.941 > 15 30 Li 0.97481610642133 0.12694167106245 0.19627111456445 6.941 > 15 31 Li 0.47481610642133 0.37305832893755 0.69627111456445 6.941 > 16 32 Li 0.97481610642133 0.37305832893755 0.69627111456445 6.941 > 16 *33 Be 0.31145895238533 0.42005857462314 0.84092832614813 9.012 > 17 34 Be 0.81145895238533 0.42005857462314 0.84092832614813 9.012 > 17 35 Be 0.31145895238533 0.07994142537686 0.34092832614813 9.012 > 18 36 Be 0.81145895238533 0.07994142537686 0.34092832614813 9.012 > 18 *37 Be 0.05181619461848 0.16466485977174 0.91132544498046 9.012 > 19 38 Be 0.55181619461848 0.16466485977174 0.91132544498046 9.012 > 19 39 Be 0.18854104761467 0.92005857462314 0.65907167385187 9.012 > 20 40 Be 0.68854104761467 0.92005857462314 0.65907167385187 9.012 > 20 41 Be 0.44818380538152 0.83533514022826 0.08867455501954 9.012 > 21 42 Be 0.94818380538152 0.83533514022826 0.08867455501954 9.012 > 21 43 Be 0.18854104761467 0.57994142537686 0.15907167385187 9.012 > 22 44 Be 0.68854104761467 0.57994142537686 0.15907167385187 9.012 > 22 45 Be 0.44818380538152 0.66466485977174 0.58867455501954 9.012 > 23 46 Be 0.94818380538152 0.66466485977174 0.58867455501954 9.012 > 23 47 Be 0.05181619461848 0.33533514022826 0.41132544498046 9.012 > 24 48 Be 0.55181619461848 0.33533514022826 0.41132544498046 9.012 > 24 *49 F 0.42659745662263 0.78413196738631 0.68942110101061 18.998 > 25 50 F 0.92659745662263 0.78413196738631 0.68942110101061 18.998 > 25 *51 F 0.15937194028541 0.81258755641549 0.77061735475953 18.998 > 26 52 F 0.65937194028541 0.81258755641549 0.77061735475953 18.998 > 26 *53 F 0.15312872237392 0.09780574124942 0.97210643781476 18.998 > 27 54 F 0.65312872237392 0.09780574124942 0.97210643781476 18.998 > 27 55 F 0.15312872237392 0.40219425875058 0.47210643781476 18.998 > 28 56 F 0.65312872237392 0.40219425875058 0.47210643781476 18.998 > 28 *57 F 0.48077039119387 0.05397537931076 0.83730627700215 18.998 > 29 58 F 0.98077039119387 0.05397537931076 0.83730627700215 18.998 > 29 *59 F 0.00808614111856 0.72206948586919 0.46788693148654 18.998 > 30 60 F 0.50808614111856 0.72206948586919 0.46788693148654 18.998 > 30 *61 F 0.27111041554170 0.47863295864627 0.21936808382275 18.998 > 31 62 F 0.77111041554170 0.47863295864627 0.21936808382275 18.998 > 31 63 F 0.27111041554170 0.02136704135373 0.71936808382274 18.998 > 32 64 F 0.77111041554170 0.02136704135373 0.71936808382274 18.998 > 32 65 F 0.34687127762608 0.90219425875058 0.02789356218524 18.998 > 33 66 F 0.84687127762608 0.90219425875058 0.02789356218524 18.998 > 33 67 F 0.00808614111856 0.77793051413081 0.96788693148654 18.998 > 34 68 F 0.50808614111856 0.77793051413081 0.96788693148654 18.998 > 34 69 F 0.34062805971459 0.31258755641549 0.72938264524047 18.998 > 35 70 F 0.84062805971459 0.31258755641549 0.72938264524047 18.998 > 35 71 F 0.49191385888144 0.22206948586920 0.03211306851346 18.998 > 36 72 F 0.99191385888144 0.22206948586920 0.03211306851346 18.998 > 36 73 F 0.15937194028541 0.68741244358451 0.27061735475953 18.998 > 37 74 F 0.65937194028541 0.68741244358451 0.27061735475953 18.998 > 37 75 F 0.48077039119387 0.44602462068924 0.33730627700215 18.998 > 38 76 F 0.98077039119387 0.44602462068924 0.33730627700215 18.998 > 38 *77 F 0.40971468741031 0.50649326547919 0.88584818008676 18.998 > 39 78 F 0.90971468741031 0.50649326547919 0.88584818008676 18.998 > 39 79 F 0.40971468741031 0.99350673452081 0.38584818008675 18.998 > 40 80 F 0.90971468741031 0.99350673452081 0.38584818008675 18.998 > 40 *81 F 0.27973232235632 0.33809569720730 0.96501836810421 18.998 > 41 82 F 0.77973232235632 0.33809569720730 0.96501836810421 18.998 > 41 83 F 0.34062805971459 0.18741244358451 0.22938264524047 18.998 > 42 84 F 0.84062805971459 0.18741244358451 0.22938264524047 18.998 > 42 85 F 0.22026767764368 0.83809569720730 0.53498163189579 18.998 > 43 86 F 0.72026767764368 0.83809569720730 0.53498163189579 18.998 > 43 87 F 0.01922960880613 0.55397537931076 0.66269372299785 18.998 > 44 88 F 0.51922960880613 0.55397537931076 0.66269372299785 18.998 > 44 89 F 0.27973232235632 0.16190430279270 0.46501836810421 18.998 > 45 90 F 0.77973232235632 0.16190430279270 0.46501836810421 18.998 > 45 91 F 0.22888958445830 0.52136704135373 0.78063191617726 18.998 > 46 92 F 0.72888958445830 0.52136704135373 0.78063191617726 18.998 > 46 93 F 0.09028531258969 0.00649326547919 0.61415181991324 18.998 > 47 94 F 0.59028531258969 0.00649326547919 0.61415181991324 18.998 > 47 95 F 0.09028531258969 0.49350673452081 0.11415181991324 18.998 > 48 96 F 0.59028531258969 0.49350673452081 0.11415181991324 18.998 > 48 97 F 0.22026767764368 0.66190430279270 0.03498163189579 18.998 > 49 98 F 0.72026767764368 0.66190430279270 0.03498163189579 18.998 > 49 99 F 0.42659745662263 0.71586803261369 0.18942110101061 18.998 > 50 100 F 0.92659745662263 0.71586803261369 0.18942110101061 18.998 > 50 101 F 0.22888958445830 0.97863295864627 0.28063191617726 18.998 > 51 102 F 0.72888958445830 0.97863295864627 0.28063191617726 18.998 > 51 103 F 0.34687127762608 0.59780574124942 0.52789356218524 18.998 > 52 104 F 0.84687127762608 0.59780574124942 0.52789356218524 18.998 > 52 105 F 0.07340254337737 0.21586803261369 0.31057889898939 18.998 > 53 106 F 0.57340254337737 0.21586803261369 0.31057889898939 18.998 > 53 107 F 0.07340254337737 0.28413196738631 0.81057889898939 18.998 > 54 108 F 0.57340254337737 0.28413196738631 0.81057889898939 18.998 > 54 109 F 0.49191385888144 0.27793051413080 0.53211306851346 18.998 > 55 110 F 0.99191385888144 0.27793051413080 0.53211306851346 18.998 > 55 111 F 0.01922960880613 0.94602462068924 0.16269372299785 18.998 > 56 112 F 0.51922960880613 0.94602462068924 0.16269372299785 18.998 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.8748836 0.0000000 -0.0013206 0.0000000 1.8780489 0.0000000 -0.0013206 0.0000000 1.8809850 -------------------------- Born effective charges -------------------------- 1 Na 1.0679028 -0.0189422 -0.0002699 -0.0111567 1.0719866 -0.0038968 -0.0033479 -0.0038212 1.0736960 2 Na 1.0970321 0.0030751 0.0279439 0.0017389 1.0548108 -0.0162894 0.0311240 -0.0187613 1.0922827 3 Na 1.0679028 0.0189422 -0.0002699 0.0111567 1.0719866 0.0038968 -0.0033479 0.0038212 1.0736960 4 Na 1.0970321 -0.0030751 0.0279439 -0.0017389 1.0548108 0.0162894 0.0311240 0.0187613 1.0922827 5 Na 1.1014763 0.0091592 0.0188896 0.0086430 1.0683759 0.0042435 0.0189905 0.0144671 1.0274237 6 Na 1.1014763 0.0091592 0.0188896 0.0086430 1.0683759 0.0042435 0.0189905 0.0144671 1.0274237 7 Na 1.0679028 -0.0189422 -0.0002699 -0.0111567 1.0719866 -0.0038968 -0.0033479 -0.0038212 1.0736960 8 Na 1.0679028 0.0189422 -0.0002699 0.0111567 1.0719866 0.0038968 -0.0033479 0.0038212 1.0736960 9 Na 1.0970321 -0.0030751 0.0279439 -0.0017389 1.0548108 0.0162894 0.0311240 0.0187613 1.0922827 10 Na 1.1014763 -0.0091592 0.0188896 -0.0086430 1.0683759 -0.0042435 0.0189905 -0.0144671 1.0274237 11 Na 1.0970321 0.0030751 0.0279439 0.0017389 1.0548108 -0.0162894 0.0311240 -0.0187613 1.0922827 12 Na 1.1014763 -0.0091592 0.0188896 -0.0086430 1.0683759 -0.0042435 0.0189905 -0.0144671 1.0274237 13 Li 0.9730480 0.0269333 -0.0624911 0.0247534 1.0120571 0.0208037 -0.0520712 0.0077731 1.0394109 14 Li 0.9730480 -0.0269333 -0.0624911 -0.0247534 1.0120571 -0.0208037 -0.0520712 -0.0077731 1.0394109 15 Li 0.9730480 0.0269333 -0.0624911 0.0247534 1.0120571 0.0208037 -0.0520712 0.0077731 1.0394109 16 Li 0.9730480 -0.0269333 -0.0624911 -0.0247534 1.0120571 -0.0208037 -0.0520712 -0.0077731 1.0394109 17 Be 1.6609965 -0.0256517 -0.0193705 -0.0238944 1.6764425 -0.0192211 -0.0145671 -0.0176078 1.6711012 18 Be 1.6609965 0.0256517 -0.0193705 0.0238944 1.6764425 0.0192211 -0.0145671 0.0176078 1.6711012 19 Be 1.6667462 -0.0096628 -0.0039070 0.0138546 1.6855989 -0.0359831 -0.0148593 -0.0331442 1.7269634 20 Be 1.6609965 0.0256517 -0.0193705 0.0238944 1.6764425 0.0192211 -0.0145671 0.0176078 1.6711012 21 Be 1.6667462 -0.0096628 -0.0039070 0.0138546 1.6855989 -0.0359831 -0.0148593 -0.0331442 1.7269634 22 Be 1.6609965 -0.0256517 -0.0193705 -0.0238944 1.6764425 -0.0192211 -0.0145671 -0.0176078 1.6711012 23 Be 1.6667462 0.0096628 -0.0039070 -0.0138546 1.6855989 0.0359831 -0.0148593 0.0331442 1.7269634 24 Be 1.6667462 0.0096628 -0.0039070 -0.0138546 1.6855989 0.0359831 -0.0148593 0.0331442 1.7269634 25 F -0.8300744 0.0182975 0.0333028 0.0170492 -1.0238656 -0.2320773 0.0306782 -0.2287217 -0.9969487 26 F -0.9057882 -0.0422420 0.1053727 -0.0357515 -0.9705744 0.1913315 0.0965736 0.1921926 -0.9995907 27 F -1.1006650 0.1363490 -0.1340573 0.1289670 -0.8858178 0.0571610 -0.1250543 0.0597997 -0.8547432 28 F -1.1006650 -0.1363490 -0.1340573 -0.1289670 -0.8858178 -0.0571610 -0.1250543 -0.0597997 -0.8547432 29 F -0.8960125 -0.1049310 -0.0853487 -0.1196788 -1.0421201 -0.1544431 -0.0923403 -0.1549655 -0.8921009 30 F -0.9200724 -0.0683148 0.1753107 -0.0722968 -0.8458840 0.0893643 0.1785604 0.0839333 -1.1062309 31 F -0.9971162 0.1850180 -0.1169126 0.1818753 -0.9671550 0.1065661 -0.1136179 0.0993144 -0.8595516 32 F -0.9971162 -0.1850180 -0.1169126 -0.1818753 -0.9671550 -0.1065661 -0.1136179 -0.0993144 -0.8595516 33 F -1.1006650 0.1363490 -0.1340573 0.1289670 -0.8858178 0.0571610 -0.1250543 0.0597997 -0.8547432 34 F -0.9200724 0.0683148 0.1753107 0.0722968 -0.8458840 -0.0893643 0.1785604 -0.0839333 -1.1062309 35 F -0.9057882 0.0422420 0.1053727 0.0357515 -0.9705744 -0.1913315 0.0965736 -0.1921926 -0.9995907 36 F -0.9200724 0.0683148 0.1753107 0.0722968 -0.8458840 -0.0893643 0.1785604 -0.0839333 -1.1062309 37 F -0.9057882 0.0422420 0.1053727 0.0357515 -0.9705744 -0.1913315 0.0965736 -0.1921926 -0.9995907 38 F -0.8960125 0.1049310 -0.0853487 0.1196788 -1.0421201 0.1544431 -0.0923403 0.1549655 -0.8921009 39 F -1.0713830 -0.1583304 -0.0752550 -0.1639218 -0.9236273 -0.0696575 -0.0685126 -0.0714082 -0.8556874 40 F -1.0713830 0.1583304 -0.0752550 0.1639218 -0.9236273 0.0696575 -0.0685126 0.0714082 -0.8556874 41 F -0.8460901 -0.0816382 0.1367926 -0.0714375 -0.9102274 0.1563366 0.1284441 0.1528154 -1.0660245 42 F -0.9057882 -0.0422420 0.1053727 -0.0357515 -0.9705744 0.1913315 0.0965736 0.1921926 -0.9995907 43 F -0.8460901 0.0816382 0.1367926 0.0714375 -0.9102274 -0.1563366 0.1284441 -0.1528154 -1.0660245 44 F -0.8960125 0.1049310 -0.0853487 0.1196788 -1.0421201 0.1544431 -0.0923403 0.1549655 -0.8921009 45 F -0.8460901 0.0816382 0.1367926 0.0714375 -0.9102274 -0.1563366 0.1284441 -0.1528154 -1.0660245 46 F -0.9971162 0.1850180 -0.1169126 0.1818753 -0.9671550 0.1065661 -0.1136179 0.0993144 -0.8595516 47 F -1.0713830 0.1583304 -0.0752550 0.1639218 -0.9236273 0.0696575 -0.0685126 0.0714082 -0.8556874 48 F -1.0713830 -0.1583304 -0.0752550 -0.1639218 -0.9236273 -0.0696575 -0.0685126 -0.0714082 -0.8556874 49 F -0.8460901 -0.0816382 0.1367926 -0.0714375 -0.9102274 0.1563366 0.1284441 0.1528154 -1.0660245 50 F -0.8300744 -0.0182975 0.0333028 -0.0170492 -1.0238656 0.2320773 0.0306782 0.2287217 -0.9969487 51 F -0.9971162 -0.1850180 -0.1169126 -0.1818753 -0.9671550 -0.1065661 -0.1136179 -0.0993144 -0.8595516 52 F -1.1006650 -0.1363490 -0.1340573 -0.1289670 -0.8858178 -0.0571610 -0.1250543 -0.0597997 -0.8547432 53 F -0.8300744 0.0182975 0.0333028 0.0170492 -1.0238656 -0.2320773 0.0306782 -0.2287217 -0.9969487 54 F -0.8300744 -0.0182975 0.0333028 -0.0170492 -1.0238656 0.2320773 0.0306782 0.2287217 -0.9969487 55 F -0.9200724 -0.0683148 0.1753107 -0.0722968 -0.8458840 0.0893643 0.1785604 0.0839333 -1.1062309 56 F -0.8960125 -0.1049310 -0.0853487 -0.1196788 -1.0421201 -0.1544431 -0.0923403 -0.1549655 -0.8921009 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 26), data: (568, 52) @ (52, 26) |-- (68, 60), data: True |-- (250, 232), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 229), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 26), data: (568, 52) @ (52, 26) |-- (68, 60), data: True |-- (250, 232), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 229), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.955 Solver_block: 200 / 1680 - Time: 1.691 Solver_block: 300 / 1680 - Time: 1.689 Solver_block: 400 / 1680 - Time: 1.686 Solver_block: 500 / 1680 - Time: 1.689 Solver_block: 600 / 1680 - Time: 1.687 Solver_block: 700 / 1680 - Time: 1.684 Solver_block: 800 / 1680 - Time: 1.684 Solver_block: 900 / 1680 - Time: 1.686 Solver_block: 1000 / 1680 - Time: 1.682 Solver_block: 1100 / 1680 - Time: 1.682 Solver_block: 1200 / 1680 - Time: 1.688 Solver_block: 1300 / 1680 - Time: 1.687 Solver_block: 1400 / 1680 - Time: 1.686 Solver_block: 1500 / 1680 - Time: 1.684 Solver_block: 1600 / 1680 - Time: 1.687 Solver_block: 1680 / 1680 - Time: 1.404 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.475 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 49 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 224 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 542 eigenvectors found. (1) Complementary block size: 82 (1) Compute compressed projector. (1) Use standard solver. (1) 54 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 26), data: (568, 52) @ (52, 26) |-- (68, 60), data: True |-- (250, 232), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 229), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 54), data: (1568, 82) @ (82, 54) |-- (568, 542), data: False |-- (568, 26), data: (568, 52) @ (52, 26) |-- (68, 60), data: True |-- (250, 232), data: True |-- (250, 224), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 224), data: True |-- (250, 223), data: True |-- (500, 472), data: False |-- (500, 21), data: (500, 49) @ (49, 21) |-- (250, 229), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:10:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:10:01]------------------------- 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 6.515455060296992 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): 1 Na 0.63988788815355 0.77779000582278 0.36236795205513 22.990 2 Na 0.83341560326534 0.06785268550521 0.60901646350807 22.990 3 Na 0.36011211184645 0.27779000582278 0.13763204794487 22.990 4 Na 0.16658439673466 0.56785268550521 0.89098353649193 22.990 5 Na 0.35088734335653 0.61271276800094 0.57877888287056 22.990 6 Na 0.64911265664347 0.38728723199906 0.42122111712944 22.990 7 Na 0.36011211184645 0.22220999417722 0.63763204794488 22.990 8 Na 0.63988788815355 0.72220999417722 0.86236795205512 22.990 9 Na 0.83341560326534 0.43214731449479 0.10901646350807 22.990 10 Na 0.35088734335653 0.88728723199906 0.07877888287056 22.990 11 Na 0.16658439673466 0.93214731449479 0.39098353649193 22.990 12 Na 0.64911265664347 0.11271276800094 0.92122111712944 22.990 13 Li 0.05036778715733 0.87305832893755 0.80372888543555 6.941 14 Li 0.05036778715733 0.62694167106245 0.30372888543555 6.941 15 Li 0.94963221284267 0.12694167106245 0.19627111456445 6.941 16 Li 0.94963221284267 0.37305832893755 0.69627111456445 6.941 17 Be 0.62291790477066 0.42005857462314 0.84092832614813 9.012 18 Be 0.62291790477066 0.07994142537686 0.34092832614813 9.012 19 Be 0.10363238923695 0.16466485977174 0.91132544498046 9.012 20 Be 0.37708209522934 0.92005857462314 0.65907167385187 9.012 21 Be 0.89636761076305 0.83533514022826 0.08867455501954 9.012 22 Be 0.37708209522934 0.57994142537686 0.15907167385187 9.012 23 Be 0.89636761076305 0.66466485977174 0.58867455501954 9.012 24 Be 0.10363238923695 0.33533514022826 0.41132544498046 9.012 25 F 0.85319491324527 0.78413196738631 0.68942110101061 18.998 26 F 0.31874388057082 0.81258755641549 0.77061735475953 18.998 27 F 0.30625744474784 0.09780574124942 0.97210643781476 18.998 28 F 0.30625744474784 0.40219425875058 0.47210643781476 18.998 29 F 0.96154078238774 0.05397537931076 0.83730627700215 18.998 30 F 0.01617228223712 0.72206948586919 0.46788693148654 18.998 31 F 0.54222083108340 0.47863295864627 0.21936808382275 18.998 32 F 0.54222083108340 0.02136704135373 0.71936808382274 18.998 33 F 0.69374255525216 0.90219425875058 0.02789356218524 18.998 34 F 0.01617228223712 0.77793051413081 0.96788693148654 18.998 35 F 0.68125611942918 0.31258755641549 0.72938264524047 18.998 36 F 0.98382771776288 0.22206948586920 0.03211306851346 18.998 37 F 0.31874388057082 0.68741244358451 0.27061735475953 18.998 38 F 0.96154078238774 0.44602462068924 0.33730627700215 18.998 39 F 0.81942937482062 0.50649326547919 0.88584818008676 18.998 40 F 0.81942937482062 0.99350673452081 0.38584818008675 18.998 41 F 0.55946464471264 0.33809569720730 0.96501836810421 18.998 42 F 0.68125611942918 0.18741244358451 0.22938264524047 18.998 43 F 0.44053535528736 0.83809569720730 0.53498163189579 18.998 44 F 0.03845921761226 0.55397537931076 0.66269372299785 18.998 45 F 0.55946464471264 0.16190430279270 0.46501836810421 18.998 46 F 0.45777916891660 0.52136704135373 0.78063191617726 18.998 47 F 0.18057062517938 0.00649326547919 0.61415181991324 18.998 48 F 0.18057062517938 0.49350673452081 0.11415181991324 18.998 49 F 0.44053535528736 0.66190430279270 0.03498163189579 18.998 50 F 0.85319491324527 0.71586803261369 0.18942110101061 18.998 51 F 0.45777916891660 0.97863295864627 0.28063191617726 18.998 52 F 0.69374255525216 0.59780574124942 0.52789356218524 18.998 53 F 0.14680508675473 0.21586803261369 0.31057889898939 18.998 54 F 0.14680508675473 0.28413196738631 0.81057889898939 18.998 55 F 0.98382771776288 0.27793051413080 0.53211306851346 18.998 56 F 0.03845921761226 0.94602462068924 0.16269372299785 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.030910120593983 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): 1 Na 0.31994394407678 0.77779000582278 0.36236795205513 22.990 > 1 2 Na 0.81994394407678 0.77779000582278 0.36236795205513 22.990 > 1 3 Na 0.41670780163267 0.06785268550521 0.60901646350807 22.990 > 3 4 Na 0.91670780163267 0.06785268550521 0.60901646350807 22.990 > 3 5 Na 0.18005605592322 0.27779000582278 0.13763204794487 22.990 > 5 6 Na 0.68005605592322 0.27779000582278 0.13763204794487 22.990 > 5 7 Na 0.08329219836733 0.56785268550521 0.89098353649193 22.990 > 7 8 Na 0.58329219836733 0.56785268550521 0.89098353649193 22.990 > 7 9 Na 0.17544367167827 0.61271276800094 0.57877888287056 22.990 > 9 10 Na 0.67544367167827 0.61271276800094 0.57877888287056 22.990 > 9 11 Na 0.32455632832173 0.38728723199906 0.42122111712944 22.990 > 11 12 Na 0.82455632832173 0.38728723199906 0.42122111712944 22.990 > 11 13 Na 0.18005605592322 0.22220999417722 0.63763204794488 22.990 > 13 14 Na 0.68005605592322 0.22220999417722 0.63763204794488 22.990 > 13 15 Na 0.31994394407678 0.72220999417722 0.86236795205512 22.990 > 15 16 Na 0.81994394407678 0.72220999417722 0.86236795205512 22.990 > 15 17 Na 0.41670780163267 0.43214731449479 0.10901646350807 22.990 > 17 18 Na 0.91670780163267 0.43214731449479 0.10901646350807 22.990 > 17 19 Na 0.17544367167827 0.88728723199906 0.07877888287056 22.990 > 19 20 Na 0.67544367167827 0.88728723199906 0.07877888287056 22.990 > 19 21 Na 0.08329219836733 0.93214731449479 0.39098353649193 22.990 > 21 22 Na 0.58329219836733 0.93214731449479 0.39098353649193 22.990 > 21 23 Na 0.32455632832173 0.11271276800094 0.92122111712944 22.990 > 23 24 Na 0.82455632832173 0.11271276800094 0.92122111712944 22.990 > 23 25 Li 0.02518389357867 0.87305832893755 0.80372888543555 6.941 > 25 26 Li 0.52518389357867 0.87305832893755 0.80372888543555 6.941 > 25 27 Li 0.02518389357867 0.62694167106245 0.30372888543555 6.941 > 27 28 Li 0.52518389357867 0.62694167106245 0.30372888543555 6.941 > 27 29 Li 0.47481610642133 0.12694167106245 0.19627111456445 6.941 > 29 30 Li 0.97481610642133 0.12694167106245 0.19627111456445 6.941 > 29 31 Li 0.47481610642133 0.37305832893755 0.69627111456445 6.941 > 31 32 Li 0.97481610642133 0.37305832893755 0.69627111456445 6.941 > 31 33 Be 0.31145895238533 0.42005857462314 0.84092832614813 9.012 > 33 34 Be 0.81145895238533 0.42005857462314 0.84092832614813 9.012 > 33 35 Be 0.31145895238533 0.07994142537686 0.34092832614813 9.012 > 35 36 Be 0.81145895238533 0.07994142537686 0.34092832614813 9.012 > 35 37 Be 0.05181619461848 0.16466485977174 0.91132544498046 9.012 > 37 38 Be 0.55181619461848 0.16466485977174 0.91132544498046 9.012 > 37 39 Be 0.18854104761467 0.92005857462314 0.65907167385187 9.012 > 39 40 Be 0.68854104761467 0.92005857462314 0.65907167385187 9.012 > 39 41 Be 0.44818380538152 0.83533514022826 0.08867455501954 9.012 > 41 42 Be 0.94818380538152 0.83533514022826 0.08867455501954 9.012 > 41 43 Be 0.18854104761467 0.57994142537686 0.15907167385187 9.012 > 43 44 Be 0.68854104761467 0.57994142537686 0.15907167385187 9.012 > 43 45 Be 0.44818380538152 0.66466485977174 0.58867455501954 9.012 > 45 46 Be 0.94818380538152 0.66466485977174 0.58867455501954 9.012 > 45 47 Be 0.05181619461848 0.33533514022826 0.41132544498046 9.012 > 47 48 Be 0.55181619461848 0.33533514022826 0.41132544498046 9.012 > 47 49 F 0.42659745662263 0.78413196738631 0.68942110101061 18.998 > 49 50 F 0.92659745662263 0.78413196738631 0.68942110101061 18.998 > 49 51 F 0.15937194028541 0.81258755641549 0.77061735475953 18.998 > 51 52 F 0.65937194028541 0.81258755641549 0.77061735475953 18.998 > 51 53 F 0.15312872237392 0.09780574124942 0.97210643781476 18.998 > 53 54 F 0.65312872237392 0.09780574124942 0.97210643781476 18.998 > 53 55 F 0.15312872237392 0.40219425875058 0.47210643781476 18.998 > 55 56 F 0.65312872237392 0.40219425875058 0.47210643781476 18.998 > 55 57 F 0.48077039119387 0.05397537931076 0.83730627700215 18.998 > 57 58 F 0.98077039119387 0.05397537931076 0.83730627700215 18.998 > 57 59 F 0.00808614111856 0.72206948586919 0.46788693148654 18.998 > 59 60 F 0.50808614111856 0.72206948586919 0.46788693148654 18.998 > 59 61 F 0.27111041554170 0.47863295864627 0.21936808382275 18.998 > 61 62 F 0.77111041554170 0.47863295864627 0.21936808382275 18.998 > 61 63 F 0.27111041554170 0.02136704135373 0.71936808382274 18.998 > 63 64 F 0.77111041554170 0.02136704135373 0.71936808382274 18.998 > 63 65 F 0.34687127762608 0.90219425875058 0.02789356218524 18.998 > 65 66 F 0.84687127762608 0.90219425875058 0.02789356218524 18.998 > 65 67 F 0.00808614111856 0.77793051413081 0.96788693148654 18.998 > 67 68 F 0.50808614111856 0.77793051413081 0.96788693148654 18.998 > 67 69 F 0.34062805971459 0.31258755641549 0.72938264524047 18.998 > 69 70 F 0.84062805971459 0.31258755641549 0.72938264524047 18.998 > 69 71 F 0.49191385888144 0.22206948586920 0.03211306851346 18.998 > 71 72 F 0.99191385888144 0.22206948586920 0.03211306851346 18.998 > 71 73 F 0.15937194028541 0.68741244358451 0.27061735475953 18.998 > 73 74 F 0.65937194028541 0.68741244358451 0.27061735475953 18.998 > 73 75 F 0.48077039119387 0.44602462068924 0.33730627700215 18.998 > 75 76 F 0.98077039119387 0.44602462068924 0.33730627700215 18.998 > 75 77 F 0.40971468741031 0.50649326547919 0.88584818008676 18.998 > 77 78 F 0.90971468741031 0.50649326547919 0.88584818008676 18.998 > 77 79 F 0.40971468741031 0.99350673452081 0.38584818008675 18.998 > 79 80 F 0.90971468741031 0.99350673452081 0.38584818008675 18.998 > 79 81 F 0.27973232235632 0.33809569720730 0.96501836810421 18.998 > 81 82 F 0.77973232235632 0.33809569720730 0.96501836810421 18.998 > 81 83 F 0.34062805971459 0.18741244358451 0.22938264524047 18.998 > 83 84 F 0.84062805971459 0.18741244358451 0.22938264524047 18.998 > 83 85 F 0.22026767764368 0.83809569720730 0.53498163189579 18.998 > 85 86 F 0.72026767764368 0.83809569720730 0.53498163189579 18.998 > 85 87 F 0.01922960880613 0.55397537931076 0.66269372299785 18.998 > 87 88 F 0.51922960880613 0.55397537931076 0.66269372299785 18.998 > 87 89 F 0.27973232235632 0.16190430279270 0.46501836810421 18.998 > 89 90 F 0.77973232235632 0.16190430279270 0.46501836810421 18.998 > 89 91 F 0.22888958445830 0.52136704135373 0.78063191617726 18.998 > 91 92 F 0.72888958445830 0.52136704135373 0.78063191617726 18.998 > 91 93 F 0.09028531258969 0.00649326547919 0.61415181991324 18.998 > 93 94 F 0.59028531258969 0.00649326547919 0.61415181991324 18.998 > 93 95 F 0.09028531258969 0.49350673452081 0.11415181991324 18.998 > 95 96 F 0.59028531258969 0.49350673452081 0.11415181991324 18.998 > 95 97 F 0.22026767764368 0.66190430279270 0.03498163189579 18.998 > 97 98 F 0.72026767764368 0.66190430279270 0.03498163189579 18.998 > 97 99 F 0.42659745662263 0.71586803261369 0.18942110101061 18.998 > 99 100 F 0.92659745662263 0.71586803261369 0.18942110101061 18.998 > 99 101 F 0.22888958445830 0.97863295864627 0.28063191617726 18.998 > 101 102 F 0.72888958445830 0.97863295864627 0.28063191617726 18.998 > 101 103 F 0.34687127762608 0.59780574124942 0.52789356218524 18.998 > 103 104 F 0.84687127762608 0.59780574124942 0.52789356218524 18.998 > 103 105 F 0.07340254337737 0.21586803261369 0.31057889898939 18.998 > 105 106 F 0.57340254337737 0.21586803261369 0.31057889898939 18.998 > 105 107 F 0.07340254337737 0.28413196738631 0.81057889898939 18.998 > 107 108 F 0.57340254337737 0.28413196738631 0.81057889898939 18.998 > 107 109 F 0.49191385888144 0.27793051413080 0.53211306851346 18.998 > 109 110 F 0.99191385888144 0.27793051413080 0.53211306851346 18.998 > 109 111 F 0.01922960880613 0.94602462068924 0.16269372299785 18.998 > 111 112 F 0.51922960880613 0.94602462068924 0.16269372299785 18.998 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.8748836 0.0000000 -0.0013206 0.0000000 1.8780489 0.0000000 -0.0013206 0.0000000 1.8809850 -------------------------- Born effective charges -------------------------- 1 Na 1.0679028 -0.0189422 -0.0002699 -0.0111567 1.0719866 -0.0038968 -0.0033479 -0.0038212 1.0736960 2 Na 1.0970321 0.0030751 0.0279439 0.0017389 1.0548108 -0.0162894 0.0311240 -0.0187613 1.0922827 3 Na 1.0679028 0.0189422 -0.0002699 0.0111567 1.0719866 0.0038968 -0.0033479 0.0038212 1.0736960 4 Na 1.0970321 -0.0030751 0.0279439 -0.0017389 1.0548108 0.0162894 0.0311240 0.0187613 1.0922827 5 Na 1.1014763 0.0091592 0.0188896 0.0086430 1.0683759 0.0042435 0.0189905 0.0144671 1.0274237 6 Na 1.1014763 0.0091592 0.0188896 0.0086430 1.0683759 0.0042435 0.0189905 0.0144671 1.0274237 7 Na 1.0679028 -0.0189422 -0.0002699 -0.0111567 1.0719866 -0.0038968 -0.0033479 -0.0038212 1.0736960 8 Na 1.0679028 0.0189422 -0.0002699 0.0111567 1.0719866 0.0038968 -0.0033479 0.0038212 1.0736960 9 Na 1.0970321 -0.0030751 0.0279439 -0.0017389 1.0548108 0.0162894 0.0311240 0.0187613 1.0922827 10 Na 1.1014763 -0.0091592 0.0188896 -0.0086430 1.0683759 -0.0042435 0.0189905 -0.0144671 1.0274237 11 Na 1.0970321 0.0030751 0.0279439 0.0017389 1.0548108 -0.0162894 0.0311240 -0.0187613 1.0922827 12 Na 1.1014763 -0.0091592 0.0188896 -0.0086430 1.0683759 -0.0042435 0.0189905 -0.0144671 1.0274237 13 Li 0.9730480 0.0269333 -0.0624911 0.0247534 1.0120571 0.0208037 -0.0520712 0.0077731 1.0394109 14 Li 0.9730480 -0.0269333 -0.0624911 -0.0247534 1.0120571 -0.0208037 -0.0520712 -0.0077731 1.0394109 15 Li 0.9730480 0.0269333 -0.0624911 0.0247534 1.0120571 0.0208037 -0.0520712 0.0077731 1.0394109 16 Li 0.9730480 -0.0269333 -0.0624911 -0.0247534 1.0120571 -0.0208037 -0.0520712 -0.0077731 1.0394109 17 Be 1.6609965 -0.0256517 -0.0193705 -0.0238944 1.6764425 -0.0192211 -0.0145671 -0.0176078 1.6711012 18 Be 1.6609965 0.0256517 -0.0193705 0.0238944 1.6764425 0.0192211 -0.0145671 0.0176078 1.6711012 19 Be 1.6667462 -0.0096628 -0.0039070 0.0138546 1.6855989 -0.0359831 -0.0148593 -0.0331442 1.7269634 20 Be 1.6609965 0.0256517 -0.0193705 0.0238944 1.6764425 0.0192211 -0.0145671 0.0176078 1.6711012 21 Be 1.6667462 -0.0096628 -0.0039070 0.0138546 1.6855989 -0.0359831 -0.0148593 -0.0331442 1.7269634 22 Be 1.6609965 -0.0256517 -0.0193705 -0.0238944 1.6764425 -0.0192211 -0.0145671 -0.0176078 1.6711012 23 Be 1.6667462 0.0096628 -0.0039070 -0.0138546 1.6855989 0.0359831 -0.0148593 0.0331442 1.7269634 24 Be 1.6667462 0.0096628 -0.0039070 -0.0138546 1.6855989 0.0359831 -0.0148593 0.0331442 1.7269634 25 F -0.8300744 0.0182975 0.0333028 0.0170492 -1.0238656 -0.2320773 0.0306782 -0.2287217 -0.9969487 26 F -0.9057882 -0.0422420 0.1053727 -0.0357515 -0.9705744 0.1913315 0.0965736 0.1921926 -0.9995907 27 F -1.1006650 0.1363490 -0.1340573 0.1289670 -0.8858178 0.0571610 -0.1250543 0.0597997 -0.8547432 28 F -1.1006650 -0.1363490 -0.1340573 -0.1289670 -0.8858178 -0.0571610 -0.1250543 -0.0597997 -0.8547432 29 F -0.8960125 -0.1049310 -0.0853487 -0.1196788 -1.0421201 -0.1544431 -0.0923403 -0.1549655 -0.8921009 30 F -0.9200724 -0.0683148 0.1753107 -0.0722968 -0.8458840 0.0893643 0.1785604 0.0839333 -1.1062309 31 F -0.9971162 0.1850180 -0.1169126 0.1818753 -0.9671550 0.1065661 -0.1136179 0.0993144 -0.8595516 32 F -0.9971162 -0.1850180 -0.1169126 -0.1818753 -0.9671550 -0.1065661 -0.1136179 -0.0993144 -0.8595516 33 F -1.1006650 0.1363490 -0.1340573 0.1289670 -0.8858178 0.0571610 -0.1250543 0.0597997 -0.8547432 34 F -0.9200724 0.0683148 0.1753107 0.0722968 -0.8458840 -0.0893643 0.1785604 -0.0839333 -1.1062309 35 F -0.9057882 0.0422420 0.1053727 0.0357515 -0.9705744 -0.1913315 0.0965736 -0.1921926 -0.9995907 36 F -0.9200724 0.0683148 0.1753107 0.0722968 -0.8458840 -0.0893643 0.1785604 -0.0839333 -1.1062309 37 F -0.9057882 0.0422420 0.1053727 0.0357515 -0.9705744 -0.1913315 0.0965736 -0.1921926 -0.9995907 38 F -0.8960125 0.1049310 -0.0853487 0.1196788 -1.0421201 0.1544431 -0.0923403 0.1549655 -0.8921009 39 F -1.0713830 -0.1583304 -0.0752550 -0.1639218 -0.9236273 -0.0696575 -0.0685126 -0.0714082 -0.8556874 40 F -1.0713830 0.1583304 -0.0752550 0.1639218 -0.9236273 0.0696575 -0.0685126 0.0714082 -0.8556874 41 F -0.8460901 -0.0816382 0.1367926 -0.0714375 -0.9102274 0.1563366 0.1284441 0.1528154 -1.0660245 42 F -0.9057882 -0.0422420 0.1053727 -0.0357515 -0.9705744 0.1913315 0.0965736 0.1921926 -0.9995907 43 F -0.8460901 0.0816382 0.1367926 0.0714375 -0.9102274 -0.1563366 0.1284441 -0.1528154 -1.0660245 44 F -0.8960125 0.1049310 -0.0853487 0.1196788 -1.0421201 0.1544431 -0.0923403 0.1549655 -0.8921009 45 F -0.8460901 0.0816382 0.1367926 0.0714375 -0.9102274 -0.1563366 0.1284441 -0.1528154 -1.0660245 46 F -0.9971162 0.1850180 -0.1169126 0.1818753 -0.9671550 0.1065661 -0.1136179 0.0993144 -0.8595516 47 F -1.0713830 0.1583304 -0.0752550 0.1639218 -0.9236273 0.0696575 -0.0685126 0.0714082 -0.8556874 48 F -1.0713830 -0.1583304 -0.0752550 -0.1639218 -0.9236273 -0.0696575 -0.0685126 -0.0714082 -0.8556874 49 F -0.8460901 -0.0816382 0.1367926 -0.0714375 -0.9102274 0.1563366 0.1284441 0.1528154 -1.0660245 50 F -0.8300744 -0.0182975 0.0333028 -0.0170492 -1.0238656 0.2320773 0.0306782 0.2287217 -0.9969487 51 F -0.9971162 -0.1850180 -0.1169126 -0.1818753 -0.9671550 -0.1065661 -0.1136179 -0.0993144 -0.8595516 52 F -1.1006650 -0.1363490 -0.1340573 -0.1289670 -0.8858178 -0.0571610 -0.1250543 -0.0597997 -0.8547432 53 F -0.8300744 0.0182975 0.0333028 0.0170492 -1.0238656 -0.2320773 0.0306782 -0.2287217 -0.9969487 54 F -0.8300744 -0.0182975 0.0333028 -0.0170492 -1.0238656 0.2320773 0.0306782 0.2287217 -0.9969487 55 F -0.9200724 -0.0683148 0.1753107 -0.0722968 -0.8458840 0.0893643 0.1785604 0.0839333 -1.1062309 56 F -0.8960125 -0.1049310 -0.0853487 -0.1196788 -1.0421201 -0.1544431 -0.0923403 -0.1549655 -0.8921009 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 53, 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 59, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 61, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 77, 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:11:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:11:06]------------------------- 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 6.515455060296992 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): 1 Na 0.63988788815355 0.77779000582278 0.36236795205513 22.990 2 Na 0.83341560326534 0.06785268550521 0.60901646350807 22.990 3 Na 0.36011211184645 0.27779000582278 0.13763204794487 22.990 4 Na 0.16658439673466 0.56785268550521 0.89098353649193 22.990 5 Na 0.35088734335653 0.61271276800094 0.57877888287056 22.990 6 Na 0.64911265664347 0.38728723199906 0.42122111712944 22.990 7 Na 0.36011211184645 0.22220999417722 0.63763204794488 22.990 8 Na 0.63988788815355 0.72220999417722 0.86236795205512 22.990 9 Na 0.83341560326534 0.43214731449479 0.10901646350807 22.990 10 Na 0.35088734335653 0.88728723199906 0.07877888287056 22.990 11 Na 0.16658439673466 0.93214731449479 0.39098353649193 22.990 12 Na 0.64911265664347 0.11271276800094 0.92122111712944 22.990 13 Li 0.05036778715733 0.87305832893755 0.80372888543555 6.941 14 Li 0.05036778715733 0.62694167106245 0.30372888543555 6.941 15 Li 0.94963221284267 0.12694167106245 0.19627111456445 6.941 16 Li 0.94963221284267 0.37305832893755 0.69627111456445 6.941 17 Be 0.62291790477066 0.42005857462314 0.84092832614813 9.012 18 Be 0.62291790477066 0.07994142537686 0.34092832614813 9.012 19 Be 0.10363238923695 0.16466485977174 0.91132544498046 9.012 20 Be 0.37708209522934 0.92005857462314 0.65907167385187 9.012 21 Be 0.89636761076305 0.83533514022826 0.08867455501954 9.012 22 Be 0.37708209522934 0.57994142537686 0.15907167385187 9.012 23 Be 0.89636761076305 0.66466485977174 0.58867455501954 9.012 24 Be 0.10363238923695 0.33533514022826 0.41132544498046 9.012 25 F 0.85319491324527 0.78413196738631 0.68942110101061 18.998 26 F 0.31874388057082 0.81258755641549 0.77061735475953 18.998 27 F 0.30625744474784 0.09780574124942 0.97210643781476 18.998 28 F 0.30625744474784 0.40219425875058 0.47210643781476 18.998 29 F 0.96154078238774 0.05397537931076 0.83730627700215 18.998 30 F 0.01617228223712 0.72206948586919 0.46788693148654 18.998 31 F 0.54222083108340 0.47863295864627 0.21936808382275 18.998 32 F 0.54222083108340 0.02136704135373 0.71936808382274 18.998 33 F 0.69374255525216 0.90219425875058 0.02789356218524 18.998 34 F 0.01617228223712 0.77793051413081 0.96788693148654 18.998 35 F 0.68125611942918 0.31258755641549 0.72938264524047 18.998 36 F 0.98382771776288 0.22206948586920 0.03211306851346 18.998 37 F 0.31874388057082 0.68741244358451 0.27061735475953 18.998 38 F 0.96154078238774 0.44602462068924 0.33730627700215 18.998 39 F 0.81942937482062 0.50649326547919 0.88584818008676 18.998 40 F 0.81942937482062 0.99350673452081 0.38584818008675 18.998 41 F 0.55946464471264 0.33809569720730 0.96501836810421 18.998 42 F 0.68125611942918 0.18741244358451 0.22938264524047 18.998 43 F 0.44053535528736 0.83809569720730 0.53498163189579 18.998 44 F 0.03845921761226 0.55397537931076 0.66269372299785 18.998 45 F 0.55946464471264 0.16190430279270 0.46501836810421 18.998 46 F 0.45777916891660 0.52136704135373 0.78063191617726 18.998 47 F 0.18057062517938 0.00649326547919 0.61415181991324 18.998 48 F 0.18057062517938 0.49350673452081 0.11415181991324 18.998 49 F 0.44053535528736 0.66190430279270 0.03498163189579 18.998 50 F 0.85319491324527 0.71586803261369 0.18942110101061 18.998 51 F 0.45777916891660 0.97863295864627 0.28063191617726 18.998 52 F 0.69374255525216 0.59780574124942 0.52789356218524 18.998 53 F 0.14680508675473 0.21586803261369 0.31057889898939 18.998 54 F 0.14680508675473 0.28413196738631 0.81057889898939 18.998 55 F 0.98382771776288 0.27793051413080 0.53211306851346 18.998 56 F 0.03845921761226 0.94602462068924 0.16269372299785 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.030910120593983 0.000000000000000 0.000000000000000 b 0.000000000000000 9.571461660000001 0.000000000000000 c -0.645586347218208 0.000000000000000 9.923180366350772 Atomic positions (fractional): 1 Na 0.31994394407678 0.77779000582278 0.36236795205513 22.990 > 1 2 Na 0.81994394407678 0.77779000582278 0.36236795205513 22.990 > 1 3 Na 0.41670780163267 0.06785268550521 0.60901646350807 22.990 > 3 4 Na 0.91670780163267 0.06785268550521 0.60901646350807 22.990 > 3 5 Na 0.18005605592322 0.27779000582278 0.13763204794487 22.990 > 5 6 Na 0.68005605592322 0.27779000582278 0.13763204794487 22.990 > 5 7 Na 0.08329219836733 0.56785268550521 0.89098353649193 22.990 > 7 8 Na 0.58329219836733 0.56785268550521 0.89098353649193 22.990 > 7 9 Na 0.17544367167827 0.61271276800094 0.57877888287056 22.990 > 9 10 Na 0.67544367167827 0.61271276800094 0.57877888287056 22.990 > 9 11 Na 0.32455632832173 0.38728723199906 0.42122111712944 22.990 > 11 12 Na 0.82455632832173 0.38728723199906 0.42122111712944 22.990 > 11 13 Na 0.18005605592322 0.22220999417722 0.63763204794488 22.990 > 13 14 Na 0.68005605592322 0.22220999417722 0.63763204794488 22.990 > 13 15 Na 0.31994394407678 0.72220999417722 0.86236795205512 22.990 > 15 16 Na 0.81994394407678 0.72220999417722 0.86236795205512 22.990 > 15 17 Na 0.41670780163267 0.43214731449479 0.10901646350807 22.990 > 17 18 Na 0.91670780163267 0.43214731449479 0.10901646350807 22.990 > 17 19 Na 0.17544367167827 0.88728723199906 0.07877888287056 22.990 > 19 20 Na 0.67544367167827 0.88728723199906 0.07877888287056 22.990 > 19 21 Na 0.08329219836733 0.93214731449479 0.39098353649193 22.990 > 21 22 Na 0.58329219836733 0.93214731449479 0.39098353649193 22.990 > 21 23 Na 0.32455632832173 0.11271276800094 0.92122111712944 22.990 > 23 24 Na 0.82455632832173 0.11271276800094 0.92122111712944 22.990 > 23 25 Li 0.02518389357867 0.87305832893755 0.80372888543555 6.941 > 25 26 Li 0.52518389357867 0.87305832893755 0.80372888543555 6.941 > 25 27 Li 0.02518389357867 0.62694167106245 0.30372888543555 6.941 > 27 28 Li 0.52518389357867 0.62694167106245 0.30372888543555 6.941 > 27 29 Li 0.47481610642133 0.12694167106245 0.19627111456445 6.941 > 29 30 Li 0.97481610642133 0.12694167106245 0.19627111456445 6.941 > 29 31 Li 0.47481610642133 0.37305832893755 0.69627111456445 6.941 > 31 32 Li 0.97481610642133 0.37305832893755 0.69627111456445 6.941 > 31 33 Be 0.31145895238533 0.42005857462314 0.84092832614813 9.012 > 33 34 Be 0.81145895238533 0.42005857462314 0.84092832614813 9.012 > 33 35 Be 0.31145895238533 0.07994142537686 0.34092832614813 9.012 > 35 36 Be 0.81145895238533 0.07994142537686 0.34092832614813 9.012 > 35 37 Be 0.05181619461848 0.16466485977174 0.91132544498046 9.012 > 37 38 Be 0.55181619461848 0.16466485977174 0.91132544498046 9.012 > 37 39 Be 0.18854104761467 0.92005857462314 0.65907167385187 9.012 > 39 40 Be 0.68854104761467 0.92005857462314 0.65907167385187 9.012 > 39 41 Be 0.44818380538152 0.83533514022826 0.08867455501954 9.012 > 41 42 Be 0.94818380538152 0.83533514022826 0.08867455501954 9.012 > 41 43 Be 0.18854104761467 0.57994142537686 0.15907167385187 9.012 > 43 44 Be 0.68854104761467 0.57994142537686 0.15907167385187 9.012 > 43 45 Be 0.44818380538152 0.66466485977174 0.58867455501954 9.012 > 45 46 Be 0.94818380538152 0.66466485977174 0.58867455501954 9.012 > 45 47 Be 0.05181619461848 0.33533514022826 0.41132544498046 9.012 > 47 48 Be 0.55181619461848 0.33533514022826 0.41132544498046 9.012 > 47 49 F 0.42659745662263 0.78413196738631 0.68942110101061 18.998 > 49 50 F 0.92659745662263 0.78413196738631 0.68942110101061 18.998 > 49 51 F 0.15937194028541 0.81258755641549 0.77061735475953 18.998 > 51 52 F 0.65937194028541 0.81258755641549 0.77061735475953 18.998 > 51 53 F 0.15312872237392 0.09780574124942 0.97210643781476 18.998 > 53 54 F 0.65312872237392 0.09780574124942 0.97210643781476 18.998 > 53 55 F 0.15312872237392 0.40219425875058 0.47210643781476 18.998 > 55 56 F 0.65312872237392 0.40219425875058 0.47210643781476 18.998 > 55 57 F 0.48077039119387 0.05397537931076 0.83730627700215 18.998 > 57 58 F 0.98077039119387 0.05397537931076 0.83730627700215 18.998 > 57 59 F 0.00808614111856 0.72206948586919 0.46788693148654 18.998 > 59 60 F 0.50808614111856 0.72206948586919 0.46788693148654 18.998 > 59 61 F 0.27111041554170 0.47863295864627 0.21936808382275 18.998 > 61 62 F 0.77111041554170 0.47863295864627 0.21936808382275 18.998 > 61 63 F 0.27111041554170 0.02136704135373 0.71936808382274 18.998 > 63 64 F 0.77111041554170 0.02136704135373 0.71936808382274 18.998 > 63 65 F 0.34687127762608 0.90219425875058 0.02789356218524 18.998 > 65 66 F 0.84687127762608 0.90219425875058 0.02789356218524 18.998 > 65 67 F 0.00808614111856 0.77793051413081 0.96788693148654 18.998 > 67 68 F 0.50808614111856 0.77793051413081 0.96788693148654 18.998 > 67 69 F 0.34062805971459 0.31258755641549 0.72938264524047 18.998 > 69 70 F 0.84062805971459 0.31258755641549 0.72938264524047 18.998 > 69 71 F 0.49191385888144 0.22206948586920 0.03211306851346 18.998 > 71 72 F 0.99191385888144 0.22206948586920 0.03211306851346 18.998 > 71 73 F 0.15937194028541 0.68741244358451 0.27061735475953 18.998 > 73 74 F 0.65937194028541 0.68741244358451 0.27061735475953 18.998 > 73 75 F 0.48077039119387 0.44602462068924 0.33730627700215 18.998 > 75 76 F 0.98077039119387 0.44602462068924 0.33730627700215 18.998 > 75 77 F 0.40971468741031 0.50649326547919 0.88584818008676 18.998 > 77 78 F 0.90971468741031 0.50649326547919 0.88584818008676 18.998 > 77 79 F 0.40971468741031 0.99350673452081 0.38584818008675 18.998 > 79 80 F 0.90971468741031 0.99350673452081 0.38584818008675 18.998 > 79 81 F 0.27973232235632 0.33809569720730 0.96501836810421 18.998 > 81 82 F 0.77973232235632 0.33809569720730 0.96501836810421 18.998 > 81 83 F 0.34062805971459 0.18741244358451 0.22938264524047 18.998 > 83 84 F 0.84062805971459 0.18741244358451 0.22938264524047 18.998 > 83 85 F 0.22026767764368 0.83809569720730 0.53498163189579 18.998 > 85 86 F 0.72026767764368 0.83809569720730 0.53498163189579 18.998 > 85 87 F 0.01922960880613 0.55397537931076 0.66269372299785 18.998 > 87 88 F 0.51922960880613 0.55397537931076 0.66269372299785 18.998 > 87 89 F 0.27973232235632 0.16190430279270 0.46501836810421 18.998 > 89 90 F 0.77973232235632 0.16190430279270 0.46501836810421 18.998 > 89 91 F 0.22888958445830 0.52136704135373 0.78063191617726 18.998 > 91 92 F 0.72888958445830 0.52136704135373 0.78063191617726 18.998 > 91 93 F 0.09028531258969 0.00649326547919 0.61415181991324 18.998 > 93 94 F 0.59028531258969 0.00649326547919 0.61415181991324 18.998 > 93 95 F 0.09028531258969 0.49350673452081 0.11415181991324 18.998 > 95 96 F 0.59028531258969 0.49350673452081 0.11415181991324 18.998 > 95 97 F 0.22026767764368 0.66190430279270 0.03498163189579 18.998 > 97 98 F 0.72026767764368 0.66190430279270 0.03498163189579 18.998 > 97 99 F 0.42659745662263 0.71586803261369 0.18942110101061 18.998 > 99 100 F 0.92659745662263 0.71586803261369 0.18942110101061 18.998 > 99 101 F 0.22888958445830 0.97863295864627 0.28063191617726 18.998 > 101 102 F 0.72888958445830 0.97863295864627 0.28063191617726 18.998 > 101 103 F 0.34687127762608 0.59780574124942 0.52789356218524 18.998 > 103 104 F 0.84687127762608 0.59780574124942 0.52789356218524 18.998 > 103 105 F 0.07340254337737 0.21586803261369 0.31057889898939 18.998 > 105 106 F 0.57340254337737 0.21586803261369 0.31057889898939 18.998 > 105 107 F 0.07340254337737 0.28413196738631 0.81057889898939 18.998 > 107 108 F 0.57340254337737 0.28413196738631 0.81057889898939 18.998 > 107 109 F 0.49191385888144 0.27793051413080 0.53211306851346 18.998 > 109 110 F 0.99191385888144 0.27793051413080 0.53211306851346 18.998 > 109 111 F 0.01922960880613 0.94602462068924 0.16269372299785 18.998 > 111 112 F 0.51922960880613 0.94602462068924 0.16269372299785 18.998 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.8748836 0.0000000 -0.0013206 0.0000000 1.8780489 0.0000000 -0.0013206 0.0000000 1.8809850 -------------------------- Born effective charges -------------------------- 1 Na 1.0679028 -0.0189422 -0.0002699 -0.0111567 1.0719866 -0.0038968 -0.0033479 -0.0038212 1.0736960 2 Na 1.0970321 0.0030751 0.0279439 0.0017389 1.0548108 -0.0162894 0.0311240 -0.0187613 1.0922827 3 Na 1.0679028 0.0189422 -0.0002699 0.0111567 1.0719866 0.0038968 -0.0033479 0.0038212 1.0736960 4 Na 1.0970321 -0.0030751 0.0279439 -0.0017389 1.0548108 0.0162894 0.0311240 0.0187613 1.0922827 5 Na 1.1014763 0.0091592 0.0188896 0.0086430 1.0683759 0.0042435 0.0189905 0.0144671 1.0274237 6 Na 1.1014763 0.0091592 0.0188896 0.0086430 1.0683759 0.0042435 0.0189905 0.0144671 1.0274237 7 Na 1.0679028 -0.0189422 -0.0002699 -0.0111567 1.0719866 -0.0038968 -0.0033479 -0.0038212 1.0736960 8 Na 1.0679028 0.0189422 -0.0002699 0.0111567 1.0719866 0.0038968 -0.0033479 0.0038212 1.0736960 9 Na 1.0970321 -0.0030751 0.0279439 -0.0017389 1.0548108 0.0162894 0.0311240 0.0187613 1.0922827 10 Na 1.1014763 -0.0091592 0.0188896 -0.0086430 1.0683759 -0.0042435 0.0189905 -0.0144671 1.0274237 11 Na 1.0970321 0.0030751 0.0279439 0.0017389 1.0548108 -0.0162894 0.0311240 -0.0187613 1.0922827 12 Na 1.1014763 -0.0091592 0.0188896 -0.0086430 1.0683759 -0.0042435 0.0189905 -0.0144671 1.0274237 13 Li 0.9730480 0.0269333 -0.0624911 0.0247534 1.0120571 0.0208037 -0.0520712 0.0077731 1.0394109 14 Li 0.9730480 -0.0269333 -0.0624911 -0.0247534 1.0120571 -0.0208037 -0.0520712 -0.0077731 1.0394109 15 Li 0.9730480 0.0269333 -0.0624911 0.0247534 1.0120571 0.0208037 -0.0520712 0.0077731 1.0394109 16 Li 0.9730480 -0.0269333 -0.0624911 -0.0247534 1.0120571 -0.0208037 -0.0520712 -0.0077731 1.0394109 17 Be 1.6609965 -0.0256517 -0.0193705 -0.0238944 1.6764425 -0.0192211 -0.0145671 -0.0176078 1.6711012 18 Be 1.6609965 0.0256517 -0.0193705 0.0238944 1.6764425 0.0192211 -0.0145671 0.0176078 1.6711012 19 Be 1.6667462 -0.0096628 -0.0039070 0.0138546 1.6855989 -0.0359831 -0.0148593 -0.0331442 1.7269634 20 Be 1.6609965 0.0256517 -0.0193705 0.0238944 1.6764425 0.0192211 -0.0145671 0.0176078 1.6711012 21 Be 1.6667462 -0.0096628 -0.0039070 0.0138546 1.6855989 -0.0359831 -0.0148593 -0.0331442 1.7269634 22 Be 1.6609965 -0.0256517 -0.0193705 -0.0238944 1.6764425 -0.0192211 -0.0145671 -0.0176078 1.6711012 23 Be 1.6667462 0.0096628 -0.0039070 -0.0138546 1.6855989 0.0359831 -0.0148593 0.0331442 1.7269634 24 Be 1.6667462 0.0096628 -0.0039070 -0.0138546 1.6855989 0.0359831 -0.0148593 0.0331442 1.7269634 25 F -0.8300744 0.0182975 0.0333028 0.0170492 -1.0238656 -0.2320773 0.0306782 -0.2287217 -0.9969487 26 F -0.9057882 -0.0422420 0.1053727 -0.0357515 -0.9705744 0.1913315 0.0965736 0.1921926 -0.9995907 27 F -1.1006650 0.1363490 -0.1340573 0.1289670 -0.8858178 0.0571610 -0.1250543 0.0597997 -0.8547432 28 F -1.1006650 -0.1363490 -0.1340573 -0.1289670 -0.8858178 -0.0571610 -0.1250543 -0.0597997 -0.8547432 29 F -0.8960125 -0.1049310 -0.0853487 -0.1196788 -1.0421201 -0.1544431 -0.0923403 -0.1549655 -0.8921009 30 F -0.9200724 -0.0683148 0.1753107 -0.0722968 -0.8458840 0.0893643 0.1785604 0.0839333 -1.1062309 31 F -0.9971162 0.1850180 -0.1169126 0.1818753 -0.9671550 0.1065661 -0.1136179 0.0993144 -0.8595516 32 F -0.9971162 -0.1850180 -0.1169126 -0.1818753 -0.9671550 -0.1065661 -0.1136179 -0.0993144 -0.8595516 33 F -1.1006650 0.1363490 -0.1340573 0.1289670 -0.8858178 0.0571610 -0.1250543 0.0597997 -0.8547432 34 F -0.9200724 0.0683148 0.1753107 0.0722968 -0.8458840 -0.0893643 0.1785604 -0.0839333 -1.1062309 35 F -0.9057882 0.0422420 0.1053727 0.0357515 -0.9705744 -0.1913315 0.0965736 -0.1921926 -0.9995907 36 F -0.9200724 0.0683148 0.1753107 0.0722968 -0.8458840 -0.0893643 0.1785604 -0.0839333 -1.1062309 37 F -0.9057882 0.0422420 0.1053727 0.0357515 -0.9705744 -0.1913315 0.0965736 -0.1921926 -0.9995907 38 F -0.8960125 0.1049310 -0.0853487 0.1196788 -1.0421201 0.1544431 -0.0923403 0.1549655 -0.8921009 39 F -1.0713830 -0.1583304 -0.0752550 -0.1639218 -0.9236273 -0.0696575 -0.0685126 -0.0714082 -0.8556874 40 F -1.0713830 0.1583304 -0.0752550 0.1639218 -0.9236273 0.0696575 -0.0685126 0.0714082 -0.8556874 41 F -0.8460901 -0.0816382 0.1367926 -0.0714375 -0.9102274 0.1563366 0.1284441 0.1528154 -1.0660245 42 F -0.9057882 -0.0422420 0.1053727 -0.0357515 -0.9705744 0.1913315 0.0965736 0.1921926 -0.9995907 43 F -0.8460901 0.0816382 0.1367926 0.0714375 -0.9102274 -0.1563366 0.1284441 -0.1528154 -1.0660245 44 F -0.8960125 0.1049310 -0.0853487 0.1196788 -1.0421201 0.1544431 -0.0923403 0.1549655 -0.8921009 45 F -0.8460901 0.0816382 0.1367926 0.0714375 -0.9102274 -0.1563366 0.1284441 -0.1528154 -1.0660245 46 F -0.9971162 0.1850180 -0.1169126 0.1818753 -0.9671550 0.1065661 -0.1136179 0.0993144 -0.8595516 47 F -1.0713830 0.1583304 -0.0752550 0.1639218 -0.9236273 0.0696575 -0.0685126 0.0714082 -0.8556874 48 F -1.0713830 -0.1583304 -0.0752550 -0.1639218 -0.9236273 -0.0696575 -0.0685126 -0.0714082 -0.8556874 49 F -0.8460901 -0.0816382 0.1367926 -0.0714375 -0.9102274 0.1563366 0.1284441 0.1528154 -1.0660245 50 F -0.8300744 -0.0182975 0.0333028 -0.0170492 -1.0238656 0.2320773 0.0306782 0.2287217 -0.9969487 51 F -0.9971162 -0.1850180 -0.1169126 -0.1818753 -0.9671550 -0.1065661 -0.1136179 -0.0993144 -0.8595516 52 F -1.1006650 -0.1363490 -0.1340573 -0.1289670 -0.8858178 -0.0571610 -0.1250543 -0.0597997 -0.8547432 53 F -0.8300744 0.0182975 0.0333028 0.0170492 -1.0238656 -0.2320773 0.0306782 -0.2287217 -0.9969487 54 F -0.8300744 -0.0182975 0.0333028 -0.0170492 -1.0238656 0.2320773 0.0306782 0.2287217 -0.9969487 55 F -0.9200724 -0.0683148 0.1753107 -0.0722968 -0.8458840 0.0893643 0.1785604 0.0839333 -1.1062309 56 F -0.8960125 -0.1049310 -0.0853487 -0.1196788 -1.0421201 -0.1544431 -0.0923403 -0.1549655 -0.8921009 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 8 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: 0.49, Number of G-points: 295, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 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 1.713 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.178 ( 0.000 0.000 0.000) 0.000 10.233 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 11.420 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 12.014 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.615 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.939 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 0.000) 0.000 14.818 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 14.978 ( 0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.543 ( 0.000 0.000 0.000) 0.000 16.604 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 16.664 ( 0.000 0.000 0.000) 0.000 16.746 ( 0.000 0.000 0.000) 0.000 17.069 ( 0.000 0.000 0.000) 0.000 17.401 ( 0.000 0.000 0.000) 0.000 22.877 ( 0.000 0.000 0.000) 0.000 23.014 ( 0.000 0.000 0.000) 0.000 23.065 ( 0.000 0.000 0.000) 0.000 23.312 ( 0.000 0.000 0.000) 0.000 23.362 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 0.000 0.000) 0.000 23.671 ( 0.000 0.000 0.000) 0.000 24.012 ( 0.000 0.000 0.000) 0.000 24.129 ( 0.000 0.000 0.000) 0.000 24.175 ( 0.000 0.000 0.000) 0.000 24.217 ( 0.000 0.000 0.000) 0.000 24.335 ( 0.000 0.000 0.000) 0.000 24.436 ( 0.000 0.000 0.000) 0.000 24.522 ( 0.000 0.000 0.000) 0.000 24.771 ( 0.000 0.000 0.000) 0.000 25.100 ( 0.000 0.000 0.000) 0.000 25.183 ( 0.000 0.000 0.000) 0.000 25.297 ( 0.000 0.000 0.000) 0.000 25.367 ( 0.000 0.000 0.000) 0.000 25.585 ( 0.000 0.000 0.000) 0.000 25.847 ( 0.000 0.000 0.000) 0.000 26.679 ( 0.000 0.000 0.000) 0.000 26.989 ( 0.000 0.000 0.000) 0.000 27.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 23.571 0.000 13.728) 27.278 0.632 ( 31.960 0.000 6.896) 32.695 1.049 ( 52.964 0.000 -2.472) 53.022 1.750 ( 4.015 0.000 -4.105) 5.742 1.756 ( -0.193 0.000 -11.372) 11.374 1.918 ( 1.508 0.000 0.516) 1.594 2.030 ( -3.275 0.000 0.828) 3.378 2.188 ( -0.606 0.000 1.403) 1.528 2.222 ( 2.967 0.000 -5.887) 6.592 2.488 ( 1.218 0.000 -2.663) 2.928 2.575 ( -0.890 0.000 2.820) 2.957 2.603 ( -1.189 0.000 2.962) 3.192 2.737 ( 7.976 0.000 4.777) 9.297 2.804 ( -4.373 0.000 -10.487) 11.362 2.854 ( 3.518 0.000 2.537) 4.337 2.885 ( 2.659 0.000 -6.015) 6.577 2.969 ( -4.594 0.000 2.190) 5.089 3.047 ( -6.416 0.000 0.577) 6.442 3.157 ( -1.531 0.000 4.431) 4.688 3.285 ( 2.542 0.000 -0.296) 2.559 3.313 ( 5.007 0.000 4.488) 6.724 3.382 ( -5.070 0.000 -4.921) 7.065 3.464 ( 5.477 0.000 11.803) 13.012 3.511 ( 2.002 0.000 -10.817) 11.001 3.580 ( 5.399 0.000 1.094) 5.509 3.593 ( -0.770 0.000 -2.182) 2.314 3.619 ( 2.018 0.000 1.116) 2.306 3.672 ( -0.917 0.000 2.782) 2.929 3.791 ( 4.765 0.000 -2.518) 5.389 3.832 ( -4.071 0.000 -2.800) 4.941 3.893 ( -2.494 0.000 8.600) 8.954 3.894 ( -6.597 0.000 -3.827) 7.627 4.004 ( 2.767 0.000 -6.477) 7.044 4.009 ( 1.920 0.000 0.164) 1.927 4.080 ( 4.403 0.000 -0.331) 4.416 4.104 ( -5.803 0.000 -0.875) 5.869 4.246 ( -5.714 0.000 3.482) 6.691 4.252 ( 0.204 0.000 -2.061) 2.071 4.379 ( 2.396 0.000 5.084) 5.620 4.461 ( 10.044 0.000 -4.611) 11.052 4.521 ( -3.507 0.000 1.340) 3.754 4.681 ( -1.125 0.000 9.524) 9.591 4.748 ( -1.984 0.000 -4.006) 4.470 4.847 ( -1.686 0.000 10.302) 10.439 4.871 ( -3.217 0.000 5.028) 5.969 4.883 ( -0.357 0.000 2.018) 2.049 4.900 ( 0.268 0.000 -0.728) 0.775 4.972 ( 1.604 0.000 -3.243) 3.618 5.097 ( 0.058 0.000 6.479) 6.479 5.166 ( 6.038 0.000 3.532) 6.996 5.243 ( 4.670 0.000 -2.352) 5.229 5.250 ( -4.963 0.000 -4.092) 6.432 5.298 ( -1.556 0.000 2.849) 3.246 5.401 ( 0.263 0.000 6.983) 6.988 5.439 ( 1.970 0.000 -2.456) 3.149 5.511 ( -2.629 0.000 5.287) 5.904 5.535 ( 4.135 0.000 -1.107) 4.280 5.599 ( 0.600 0.000 -3.625) 3.675 5.622 ( 3.780 0.000 -3.795) 5.356 5.629 ( 1.857 0.000 -6.787) 7.037 5.812 ( 0.509 0.000 1.954) 2.019 5.905 ( 0.772 0.000 -0.682) 1.030 5.923 ( -0.547 0.000 3.993) 4.030 6.034 ( -2.109 0.000 10.431) 10.642 6.082 ( -5.404 0.000 -6.526) 8.473 6.098 ( -5.367 0.000 -3.089) 6.192 6.131 ( -0.930 0.000 -2.010) 2.215 6.234 ( -2.686 0.000 0.846) 2.816 6.308 ( -3.677 0.000 -6.880) 7.801 6.372 ( -3.418 0.000 0.938) 3.545 6.432 ( -2.336 0.000 1.353) 2.700 6.497 ( 1.360 0.000 1.731) 2.201 6.507 ( 1.768 0.000 -2.456) 3.027 6.619 ( -2.716 0.000 7.656) 8.124 6.681 ( 4.667 0.000 -2.064) 5.103 6.745 ( -4.416 0.000 -1.243) 4.588 6.842 ( -5.008 0.000 -1.902) 5.357 6.859 ( -0.563 0.000 -9.868) 9.884 6.967 ( 1.814 0.000 6.289) 6.545 6.994 ( 5.924 0.000 -10.713) 12.242 7.181 ( -5.557 0.000 3.147) 6.386 7.325 ( -0.727 0.000 -0.679) 0.994 7.411 ( -2.647 0.000 -0.391) 2.676 7.511 ( 3.181 0.000 5.276) 6.161 7.729 ( -1.117 0.000 4.949) 5.073 7.761 ( -2.991 0.000 39.821) 39.933 7.848 ( 1.156 0.000 -7.016) 7.110 7.975 ( 1.671 0.000 -2.206) 2.768 7.976 ( 6.555 0.000 -1.105) 6.647 8.197 ( 0.114 0.000 -0.653) 0.663 8.353 ( -4.280 0.000 2.081) 4.759 8.397 ( -1.666 0.000 -0.033) 1.667 8.459 ( 3.418 0.000 -0.114) 3.420 8.477 ( -2.083 0.000 2.754) 3.453 8.542 ( -2.934 0.000 -0.772) 3.034 8.750 ( -1.712 0.000 1.456) 2.248 8.860 ( -1.521 0.000 0.323) 1.554 8.902 ( -1.698 0.000 -5.636) 5.886 9.026 ( 2.149 0.000 3.838) 4.398 9.315 ( -0.175 0.000 -0.561) 0.588 9.888 ( 0.872 0.000 -1.308) 1.572 10.178 ( -0.035 0.000 2.126) 2.126 10.253 ( -0.152 0.000 2.557) 2.562 10.413 ( 0.950 0.000 -14.523) 14.554 10.426 ( 1.903 0.000 -9.279) 9.472 10.451 ( 3.698 0.000 -5.986) 7.036 10.551 ( 1.875 0.000 -4.209) 4.607 10.966 ( -0.551 0.000 1.077) 1.210 11.099 ( 1.277 0.000 0.782) 1.497 11.106 ( -3.821 0.000 2.725) 4.693 11.161 ( -1.211 0.000 1.236) 1.731 11.198 ( 0.804 0.000 -3.059) 3.163 11.304 ( 0.329 0.000 0.268) 0.424 11.346 ( 2.638 0.000 -5.685) 6.267 11.390 ( -1.876 0.000 1.276) 2.268 11.452 ( -1.791 0.000 5.275) 5.571 11.495 ( 1.440 0.000 1.206) 1.878 11.620 ( 0.202 0.000 -2.177) 2.187 11.676 ( -1.917 0.000 3.580) 4.061 11.706 ( -1.788 0.000 0.630) 1.896 11.749 ( -0.469 0.000 0.557) 0.728 11.808 ( -0.197 0.000 -1.950) 1.960 12.000 ( -2.994 0.000 0.768) 3.092 12.006 ( -0.757 0.000 0.415) 0.863 12.745 ( -0.020 0.000 -7.407) 7.408 12.811 ( 2.977 0.000 -18.850) 19.084 13.076 ( -5.596 0.000 -3.148) 6.421 13.260 ( 0.935 0.000 6.788) 6.853 13.941 ( 0.211 0.000 -1.317) 1.334 14.209 ( 0.086 0.000 15.910) 15.910 14.243 ( 2.180 0.000 -0.276) 2.198 14.270 ( 3.787 0.000 0.528) 3.824 14.756 ( -0.347 0.000 -0.234) 0.419 14.856 ( 3.249 0.000 0.525) 3.291 14.911 ( 0.065 0.000 0.041) 0.077 15.363 ( 0.462 0.000 -9.101) 9.113 16.545 ( 0.219 0.000 0.492) 0.538 16.568 ( -0.089 0.000 -2.391) 2.392 16.615 ( 1.139 0.000 -0.401) 1.207 16.642 ( 0.384 0.000 0.031) 0.385 16.673 ( 0.868 0.000 -1.155) 1.445 16.744 ( -0.235 0.000 0.200) 0.309 17.093 ( 0.558 0.000 1.629) 1.722 17.399 ( -0.310 0.000 0.372) 0.485 22.880 ( 0.455 0.000 -1.316) 1.393 23.015 ( -0.024 0.000 2.291) 2.291 23.227 ( 1.918 0.000 -26.985) 27.053 23.339 ( 2.739 0.000 -3.289) 4.280 23.386 ( 2.292 0.000 0.620) 2.375 23.560 ( -3.149 0.000 -0.720) 3.231 23.680 ( 0.981 0.000 -8.321) 8.379 23.975 ( -4.490 0.000 3.132) 5.475 24.053 ( -6.980 0.000 1.182) 7.080 24.095 ( -9.741 0.000 1.667) 9.883 24.315 ( -1.794 0.000 0.488) 1.859 24.361 ( -2.322 0.000 -11.372) 11.607 24.585 ( 6.650 0.000 -2.203) 7.005 24.738 ( -8.619 0.000 1.828) 8.811 24.808 ( 2.009 0.000 -1.943) 2.795 25.308 ( 9.954 0.000 -9.413) 13.699 25.348 ( 5.966 0.000 -0.835) 6.024 25.368 ( -1.490 0.000 -4.890) 5.112 25.641 ( 5.543 0.000 8.064) 9.785 25.843 ( -0.408 0.000 0.060) 0.413 26.671 ( 0.977 0.000 -11.410) 11.452 26.672 ( -1.277 0.000 7.439) 7.547 26.950 ( -3.135 0.000 -9.909) 10.393 27.296 ( -4.783 0.000 58.982) 59.176 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 20.662 0.000 13.171) 24.503 1.228 ( 28.734 0.000 5.616) 29.278 1.698 ( -3.450 0.000 -15.355) 15.737 1.816 ( 7.976 0.000 -4.218) 9.023 1.896 ( 11.175 0.000 5.096) 12.282 1.955 ( 7.696 0.000 -1.092) 7.773 2.123 ( 24.735 0.000 -4.756) 25.188 2.257 ( 6.624 0.000 1.053) 6.707 2.287 ( 4.651 0.000 -8.084) 9.326 2.480 ( -1.857 0.000 -0.538) 1.933 2.565 ( 0.343 0.000 7.563) 7.571 2.623 ( -2.231 0.000 -1.638) 2.767 2.716 ( 1.448 0.000 -3.322) 3.624 2.811 ( -6.530 0.000 -4.198) 7.763 2.862 ( -2.429 0.000 0.334) 2.452 2.934 ( 8.288 0.000 2.368) 8.620 2.947 ( 4.305 0.000 -0.869) 4.392 3.008 ( 4.421 0.000 -6.855) 8.157 3.159 ( -0.628 0.000 -3.265) 3.325 3.270 ( -1.328 0.000 1.737) 2.187 3.274 ( -5.260 0.000 -1.966) 5.615 3.425 ( -0.962 0.000 7.057) 7.123 3.496 ( -7.339 0.000 -3.320) 8.055 3.522 ( -9.947 0.000 -4.387) 10.871 3.530 ( 3.753 0.000 -0.878) 3.854 3.550 ( -4.843 0.000 5.041) 6.991 3.587 ( -2.468 0.000 0.926) 2.636 3.760 ( 7.347 0.000 -3.152) 7.995 3.770 ( -6.312 0.000 -4.126) 7.541 3.799 ( -1.717 0.000 4.721) 5.024 3.820 ( 4.572 0.000 1.208) 4.728 3.905 ( 0.918 0.000 4.010) 4.114 3.968 ( -2.945 0.000 -3.270) 4.400 4.036 ( 1.381 0.000 0.144) 1.389 4.123 ( 3.961 0.000 -4.016) 5.640 4.203 ( 6.138 0.000 5.828) 8.464 4.218 ( 5.369 0.000 3.795) 6.575 4.329 ( 10.788 0.000 -5.897) 12.295 4.436 ( -4.562 0.000 1.540) 4.815 4.485 ( 5.691 0.000 4.220) 7.085 4.591 ( 2.039 0.000 1.642) 2.618 4.658 ( -3.647 0.000 13.917) 14.387 4.757 ( 4.559 0.000 -4.661) 6.520 4.822 ( -0.902 0.000 -2.130) 2.313 4.827 ( -1.906 0.000 5.013) 5.363 4.864 ( -3.253 0.000 6.751) 7.494 4.896 ( -1.305 0.000 1.233) 1.796 4.975 ( 2.050 0.000 -1.542) 2.565 5.103 ( -8.987 0.000 1.070) 9.051 5.136 ( 1.404 0.000 4.605) 4.814 5.214 ( -2.215 0.000 0.185) 2.222 5.277 ( 0.465 0.000 -5.649) 5.668 5.311 ( 1.921 0.000 -0.349) 1.952 5.434 ( -0.497 0.000 -2.759) 2.804 5.466 ( 4.952 0.000 2.881) 5.729 5.508 ( 0.223 0.000 5.348) 5.352 5.547 ( -1.802 0.000 -8.066) 8.265 5.616 ( -7.007 0.000 -1.490) 7.164 5.631 ( 2.976 0.000 2.199) 3.701 5.712 ( 4.333 0.000 -1.896) 4.729 5.850 ( -7.070 0.000 0.885) 7.125 5.864 ( 6.161 0.000 1.541) 6.351 5.945 ( -0.330 0.000 3.270) 3.287 5.978 ( -1.891 0.000 -0.279) 1.911 6.014 ( 3.143 0.000 -4.828) 5.761 6.044 ( 0.491 0.000 3.023) 3.063 6.111 ( -0.213 0.000 -6.990) 6.994 6.121 ( -6.587 0.000 1.385) 6.731 6.294 ( -3.749 0.000 -1.093) 3.905 6.295 ( 1.664 0.000 -3.930) 4.268 6.396 ( -1.776 0.000 0.918) 1.999 6.469 ( -3.166 0.000 4.319) 5.355 6.543 ( 1.182 0.000 -0.732) 1.390 6.649 ( 0.446 0.000 5.623) 5.640 6.671 ( 0.304 0.000 -0.372) 0.480 6.707 ( -7.832 0.000 -0.394) 7.842 6.770 ( 3.145 0.000 -3.036) 4.372 6.818 ( -2.777 0.000 -5.147) 5.849 6.908 ( -5.917 0.000 4.614) 7.503 7.065 ( 2.168 0.000 -4.966) 5.419 7.155 ( 1.200 0.000 5.741) 5.865 7.320 ( -0.296 0.000 0.455) 0.543 7.325 ( -5.977 0.000 -1.559) 6.177 7.547 ( -0.432 0.000 2.879) 2.912 7.672 ( -5.949 0.000 11.165) 12.651 7.778 ( 1.941 0.000 3.828) 4.292 7.871 ( 2.175 0.000 -4.937) 5.395 8.021 ( 3.667 0.000 -6.483) 7.448 8.116 ( 7.271 0.000 -2.182) 7.591 8.211 ( 1.692 0.000 -2.281) 2.840 8.252 ( -6.143 0.000 1.630) 6.356 8.350 ( -3.124 0.000 0.125) 3.126 8.426 ( -3.456 0.000 3.639) 5.019 8.483 ( -2.503 0.000 -1.353) 2.845 8.540 ( 4.514 0.000 3.194) 5.529 8.708 ( -2.712 0.000 0.941) 2.870 8.818 ( -2.730 0.000 0.761) 2.834 8.884 ( 0.511 0.000 -4.296) 4.327 9.056 ( 0.469 0.000 3.790) 3.819 9.302 ( -1.218 0.000 -0.330) 1.262 9.910 ( 1.595 0.000 -2.118) 2.651 10.185 ( 0.351 0.000 2.448) 2.473 10.258 ( 0.347 0.000 3.076) 3.096 10.417 ( 1.080 0.000 -8.328) 8.397 10.465 ( 2.456 0.000 0.146) 2.460 10.513 ( 3.027 0.000 -6.684) 7.338 10.583 ( 1.867 0.000 -5.996) 6.280 10.964 ( -0.068 0.000 -0.589) 0.593 11.037 ( -3.467 0.000 1.647) 3.838 11.085 ( -1.962 0.000 8.550) 8.772 11.178 ( 2.319 0.000 -4.032) 4.651 11.197 ( -0.461 0.000 -2.332) 2.377 11.314 ( 1.072 0.000 -1.045) 1.497 11.370 ( -0.531 0.000 2.401) 2.459 11.377 ( 0.951 0.000 -6.688) 6.755 11.431 ( -0.784 0.000 6.347) 6.395 11.520 ( 0.895 0.000 1.899) 2.099 11.590 ( -2.998 0.000 0.663) 3.070 11.657 ( -0.951 0.000 1.390) 1.684 11.662 ( -2.783 0.000 0.755) 2.883 11.747 ( 0.674 0.000 0.036) 0.675 11.796 ( -0.572 0.000 -2.685) 2.745 11.928 ( -4.338 0.000 1.433) 4.569 11.994 ( -0.445 0.000 1.393) 1.462 12.739 ( 0.077 0.000 -4.439) 4.440 12.843 ( 1.856 0.000 -5.610) 5.909 12.988 ( -2.842 0.000 -1.900) 3.418 13.239 ( -3.669 0.000 5.988) 7.022 13.942 ( 0.048 0.000 -1.396) 1.397 14.236 ( 1.134 0.000 6.514) 6.612 14.290 ( 2.529 0.000 -0.282) 2.545 14.361 ( 5.133 0.000 0.409) 5.150 14.757 ( 0.460 0.000 -0.288) 0.543 14.914 ( 0.195 0.000 0.052) 0.202 14.927 ( 3.733 0.000 0.776) 3.812 15.359 ( -0.025 0.000 -3.724) 3.724 16.552 ( 0.427 0.000 0.613) 0.747 16.564 ( -0.067 0.000 -0.418) 0.423 16.642 ( 1.534 0.000 -0.599) 1.646 16.652 ( 0.600 0.000 0.108) 0.610 16.690 ( 0.905 0.000 -1.402) 1.669 16.739 ( -0.235 0.000 0.362) 0.431 17.109 ( 0.906 0.000 0.631) 1.104 17.391 ( -0.489 0.000 0.504) 0.702 22.896 ( 1.508 0.000 -2.336) 2.780 23.018 ( -0.164 0.000 3.765) 3.768 23.230 ( 1.083 0.000 -17.008) 17.043 23.397 ( 3.280 0.000 -3.789) 5.011 23.434 ( 1.971 0.000 -0.068) 1.972 23.494 ( -3.586 0.000 4.900) 6.072 23.678 ( -0.434 0.000 -4.769) 4.789 23.838 ( -8.491 0.000 2.478) 8.845 23.911 ( -6.831 0.000 -1.044) 6.910 23.949 ( -5.407 0.000 3.759) 6.586 24.295 ( -0.028 0.000 2.379) 2.379 24.306 ( -2.663 0.000 -6.778) 7.282 24.552 ( -6.243 0.000 1.230) 6.363 24.743 ( 5.501 0.000 3.121) 6.325 24.814 ( -0.526 0.000 -3.494) 3.533 25.266 ( -7.913 0.000 -2.159) 8.202 25.474 ( 8.007 0.000 -7.759) 11.150 25.515 ( 10.197 0.000 -1.671) 10.333 25.788 ( 7.475 0.000 7.502) 10.590 25.830 ( -1.099 0.000 -0.527) 1.219 26.638 ( -4.085 0.000 12.826) 13.461 26.682 ( 1.235 0.000 -4.055) 4.239 26.874 ( -2.028 0.000 -16.354) 16.480 27.271 ( -3.257 0.000 25.588) 25.795 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 15.536 0.000 12.116) 19.702 1.618 ( -2.746 0.000 -13.550) 13.826 1.689 ( 16.266 0.000 0.087) 16.266 1.879 ( 1.914 0.000 -7.347) 7.592 1.985 ( 5.770 0.000 2.341) 6.226 2.128 ( 8.425 0.000 16.269) 18.321 2.316 ( -1.984 0.000 -4.026) 4.488 2.321 ( 1.353 0.000 -2.584) 2.917 2.414 ( -8.940 0.000 5.559) 10.528 2.492 ( 4.912 0.000 -5.947) 7.713 2.564 ( 5.428 0.000 2.635) 6.034 2.726 ( 9.529 0.000 -0.679) 9.553 2.750 ( 2.290 0.000 -8.441) 8.746 2.875 ( 5.486 0.000 1.401) 5.662 2.891 ( 11.903 0.000 -8.964) 14.901 2.997 ( 0.593 0.000 -3.014) 3.072 3.060 ( -0.690 0.000 3.011) 3.089 3.106 ( 1.703 0.000 -11.782) 11.904 3.122 ( -2.951 0.000 -3.253) 4.392 3.186 ( -0.009 0.000 -1.346) 1.346 3.219 ( -4.670 0.000 8.239) 9.471 3.271 ( -11.590 0.000 -8.744) 14.518 3.311 ( -6.281 0.000 -0.421) 6.295 3.378 ( -6.830 0.000 9.382) 11.605 3.451 ( -3.582 0.000 -6.285) 7.234 3.535 ( -2.890 0.000 2.852) 4.060 3.594 ( 0.808 0.000 -0.067) 0.810 3.666 ( 7.322 0.000 0.648) 7.351 3.812 ( 1.540 0.000 1.226) 1.969 3.893 ( 2.986 0.000 11.543) 11.923 3.929 ( 1.035 0.000 -6.627) 6.708 3.932 ( 5.250 0.000 -2.068) 5.643 4.048 ( 9.035 0.000 7.610) 11.813 4.067 ( 6.003 0.000 8.184) 10.150 4.170 ( 3.327 0.000 -7.842) 8.519 4.304 ( 3.068 0.000 3.930) 4.986 4.352 ( -3.523 0.000 0.534) 3.564 4.365 ( 6.037 0.000 -0.449) 6.053 4.423 ( -2.865 0.000 -2.372) 3.720 4.545 ( -6.617 0.000 7.435) 9.953 4.560 ( -7.617 0.000 5.857) 9.609 4.683 ( 9.720 0.000 -2.863) 10.133 4.711 ( -11.396 0.000 7.372) 13.573 4.816 ( 2.195 0.000 -0.763) 2.324 4.846 ( 2.239 0.000 -3.856) 4.459 4.872 ( 3.034 0.000 -6.972) 7.603 4.919 ( 1.741 0.000 3.247) 3.684 4.981 ( -0.327 0.000 3.366) 3.382 5.009 ( 0.522 0.000 3.141) 3.184 5.105 ( -6.088 0.000 1.633) 6.303 5.178 ( 2.768 0.000 0.323) 2.787 5.295 ( 2.642 0.000 -4.486) 5.206 5.306 ( -2.802 0.000 -1.784) 3.321 5.365 ( -7.500 0.000 -0.227) 7.504 5.439 ( 0.397 0.000 0.349) 0.529 5.489 ( -1.586 0.000 -8.944) 9.084 5.507 ( -1.392 0.000 1.784) 2.263 5.612 ( -5.972 0.000 1.812) 6.241 5.629 ( 5.246 0.000 -1.150) 5.370 5.703 ( -8.982 0.000 0.426) 8.992 5.789 ( 4.094 0.000 2.165) 4.631 5.920 ( -0.775 0.000 3.066) 3.163 5.967 ( 2.480 0.000 -0.672) 2.569 6.021 ( -0.541 0.000 -0.923) 1.070 6.023 ( 4.411 0.000 0.593) 4.450 6.102 ( 3.954 0.000 -3.790) 5.477 6.116 ( 3.856 0.000 6.014) 7.144 6.142 ( 3.896 0.000 -2.637) 4.705 6.235 ( -2.038 0.000 -4.007) 4.495 6.330 ( 2.001 0.000 -3.206) 3.779 6.367 ( -1.572 0.000 0.600) 1.683 6.424 ( -1.721 0.000 1.799) 2.490 6.530 ( -2.204 0.000 0.127) 2.208 6.554 ( -6.720 0.000 0.055) 6.721 6.597 ( -2.489 0.000 6.973) 7.404 6.735 ( -4.962 0.000 -2.401) 5.513 6.772 ( -0.531 0.000 1.910) 1.982 6.781 ( 6.526 0.000 0.062) 6.526 6.874 ( 0.199 0.000 -0.735) 0.762 7.068 ( -0.914 0.000 -2.896) 3.037 7.194 ( 2.357 0.000 3.268) 4.030 7.201 ( -5.797 0.000 -2.259) 6.222 7.304 ( -1.671 0.000 2.139) 2.715 7.506 ( -3.148 0.000 -1.409) 3.449 7.545 ( -7.280 0.000 5.068) 8.871 7.835 ( 3.371 0.000 -0.084) 3.372 7.911 ( 1.854 0.000 -0.589) 1.946 8.096 ( 4.920 0.000 -8.239) 9.596 8.137 ( -5.490 0.000 2.547) 6.052 8.222 ( 3.527 0.000 0.022) 3.527 8.247 ( 1.855 0.000 -3.635) 4.081 8.284 ( -3.802 0.000 1.649) 4.144 8.378 ( -0.885 0.000 -0.841) 1.221 8.448 ( -1.441 0.000 1.772) 2.284 8.620 ( 2.082 0.000 6.499) 6.824 8.660 ( -1.157 0.000 -2.812) 3.041 8.770 ( -2.018 0.000 0.587) 2.101 8.901 ( 1.362 0.000 -2.881) 3.187 9.057 ( -0.632 0.000 2.603) 2.678 9.271 ( -1.690 0.000 0.107) 1.693 9.939 ( 1.487 0.000 -1.810) 2.342 10.192 ( 0.045 0.000 1.863) 1.864 10.270 ( 0.445 0.000 1.930) 1.981 10.434 ( 1.439 0.000 -4.258) 4.495 10.507 ( 1.270 0.000 2.975) 3.234 10.543 ( 0.962 0.000 -3.685) 3.809 10.606 ( 1.409 0.000 -5.774) 5.943 10.947 ( -1.352 0.000 -0.339) 1.394 10.984 ( -2.185 0.000 1.218) 2.501 11.095 ( 1.737 0.000 8.039) 8.225 11.182 ( -0.575 0.000 -1.018) 1.169 11.199 ( -0.006 0.000 -6.063) 6.063 11.346 ( 2.119 0.000 -1.798) 2.779 11.365 ( -1.208 0.000 -3.226) 3.445 11.375 ( 0.796 0.000 2.192) 2.332 11.440 ( 0.906 0.000 4.060) 4.159 11.533 ( 0.157 0.000 2.280) 2.285 11.537 ( -2.001 0.000 -1.678) 2.612 11.607 ( -2.817 0.000 0.163) 2.822 11.624 ( -2.288 0.000 1.893) 2.970 11.775 ( 1.698 0.000 -0.777) 1.868 11.786 ( 0.034 0.000 -2.221) 2.221 11.851 ( -3.576 0.000 1.648) 3.937 11.993 ( 0.059 0.000 1.599) 1.600 12.735 ( -0.045 0.000 -2.121) 2.121 12.865 ( 0.917 0.000 -1.750) 1.975 12.968 ( 0.828 0.000 -1.348) 1.582 13.153 ( -5.301 0.000 3.664) 6.444 13.939 ( -0.199 0.000 -0.730) 0.756 14.263 ( 0.895 0.000 2.703) 2.847 14.330 ( 1.469 0.000 -0.140) 1.476 14.448 ( 3.441 0.000 0.216) 3.448 14.768 ( 0.597 0.000 -0.218) 0.636 14.919 ( 0.259 0.000 0.032) 0.261 14.989 ( 2.397 0.000 0.595) 2.469 15.354 ( -0.170 0.000 -1.498) 1.507 16.561 ( 0.373 0.000 0.406) 0.552 16.564 ( 0.039 0.000 -0.018) 0.043 16.663 ( 0.475 0.000 0.148) 0.497 16.666 ( 0.954 0.000 -0.514) 1.084 16.702 ( 0.486 0.000 -0.953) 1.070 16.737 ( -0.017 0.000 0.348) 0.349 17.126 ( 0.656 0.000 0.246) 0.701 17.383 ( -0.377 0.000 0.344) 0.510 22.929 ( 2.049 0.000 -2.307) 3.085 23.019 ( -0.178 0.000 3.160) 3.165 23.224 ( 0.069 0.000 -9.523) 9.523 23.394 ( -3.298 0.000 2.996) 4.456 23.448 ( -1.522 0.000 2.559) 2.977 23.492 ( 4.842 0.000 -7.483) 8.913 23.650 ( -1.888 0.000 -0.523) 1.959 23.707 ( -5.977 0.000 5.031) 7.812 23.814 ( -2.852 0.000 -2.174) 3.586 23.897 ( -0.341 0.000 1.268) 1.313 24.243 ( -2.836 0.000 -2.536) 3.805 24.313 ( 1.069 0.000 2.941) 3.129 24.473 ( -2.305 0.000 0.936) 2.488 24.813 ( 1.720 0.000 -2.992) 3.451 24.833 ( 3.249 0.000 1.544) 3.597 25.083 ( -10.154 0.000 -1.241) 10.229 25.595 ( 5.467 0.000 -3.715) 6.610 25.701 ( 8.563 0.000 -1.277) 8.658 25.795 ( -2.435 0.000 -1.047) 2.651 25.906 ( 3.296 0.000 5.428) 6.350 26.553 ( -5.028 0.000 6.478) 8.201 26.706 ( 1.405 0.000 -1.708) 2.212 26.847 ( 0.449 0.000 -9.390) 9.401 27.240 ( -2.119 0.000 11.318) 11.515 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 0.000 -0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.865 ( -0.000 0.000 -0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 -0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.481 ( -0.000 0.000 -0.000) 0.000 2.629 ( 0.000 0.000 -0.000) 0.000 2.841 ( -0.000 0.000 -0.000) 0.000 2.867 ( -0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 -0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.070 ( -0.000 0.000 -0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 -0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 -0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 -0.000) 0.000 3.900 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 -0.000) 0.000 3.926 ( 0.000 0.000 -0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.116 ( -0.000 0.000 -0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 -0.000) 0.000 4.338 ( -0.000 0.000 -0.000) 0.000 4.341 ( 0.000 0.000 -0.000) 0.000 4.359 ( -0.000 0.000 -0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 -0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.886 ( -0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 -0.000) 0.000 5.003 ( 0.000 0.000 -0.000) 0.000 5.043 ( 0.000 0.000 -0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.275 ( -0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 -0.000) 0.000 5.306 ( 0.000 0.000 -0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 -0.000) 0.000 5.447 ( -0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 -0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 -0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 -0.000) 0.000 6.119 ( 0.000 0.000 -0.000) 0.000 6.145 ( -0.000 0.000 0.000) 0.000 6.155 ( -0.000 0.000 -0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.337 ( -0.000 0.000 -0.000) 0.000 6.357 ( 0.000 0.000 -0.000) 0.000 6.405 ( 0.000 0.000 -0.000) 0.000 6.491 ( -0.000 0.000 -0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.658 ( -0.000 0.000 -0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 -0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 -0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 -0.000) 0.000 7.878 ( 0.000 0.000 -0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 -0.000) 0.000 8.167 ( 0.000 0.000 -0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 -0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 -0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 -0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 -0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 -0.000) 0.000 10.518 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 -0.000) 0.000 10.931 ( 0.000 0.000 -0.000) 0.000 10.962 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.176 ( -0.000 0.000 -0.000) 0.000 11.177 ( 0.000 0.000 -0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 -0.000) 0.000 11.390 ( 0.000 0.000 0.000) 0.000 11.459 ( 0.000 0.000 -0.000) 0.000 11.515 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 -0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.794 ( -0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 -0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 -0.000) 0.000 12.873 ( 0.000 0.000 -0.000) 0.000 12.991 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 0.000 -0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 0.000 -0.000) 0.000 14.344 ( 0.000 0.000 -0.000) 0.000 14.482 ( 0.000 0.000 0.000) 0.000 14.775 ( 0.000 0.000 0.000) 0.000 14.922 ( 0.000 0.000 -0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 16.565 ( 0.000 0.000 -0.000) 0.000 16.565 ( 0.000 0.000 -0.000) 0.000 16.668 ( 0.000 0.000 -0.000) 0.000 16.675 ( 0.000 0.000 -0.000) 0.000 16.706 ( 0.000 0.000 -0.000) 0.000 16.738 ( 0.000 0.000 -0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 17.379 ( 0.000 0.000 -0.000) 0.000 22.952 ( 0.000 0.000 0.000) 0.000 23.019 ( 0.000 0.000 -0.000) 0.000 23.216 ( 0.000 0.000 -0.000) 0.000 23.351 ( 0.000 0.000 0.000) 0.000 23.437 ( 0.000 0.000 0.000) 0.000 23.563 ( 0.000 0.000 0.000) 0.000 23.625 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 -0.000) 0.000 23.788 ( 0.000 0.000 0.000) 0.000 23.904 ( 0.000 0.000 0.000) 0.000 24.211 ( 0.000 0.000 -0.000) 0.000 24.327 ( 0.000 0.000 0.000) 0.000 24.453 ( 0.000 0.000 0.000) 0.000 24.866 ( 0.000 0.000 0.000) 0.000 24.880 ( -0.000 0.000 0.000) 0.000 24.924 ( 0.000 0.000 -0.000) 0.000 25.659 ( 0.000 0.000 0.000) 0.000 25.755 ( 0.000 0.000 0.000) 0.000 25.798 ( 0.000 0.000 0.000) 0.000 25.930 ( -0.000 0.000 0.000) 0.000 26.502 ( 0.000 0.000 -0.000) 0.000 26.721 ( 0.000 0.000 -0.000) 0.000 26.848 ( 0.000 0.000 0.000) 0.000 27.226 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 17.366 0.000) 17.366 0.626 ( 0.000 29.067 0.000) 29.067 0.920 ( 0.000 35.726 0.000) 35.726 1.681 ( 0.000 -7.274 0.000) 7.274 1.846 ( 0.000 -1.283 0.000) 1.283 1.885 ( 0.000 -0.788 0.000) 0.788 2.041 ( 0.000 0.431 0.000) 0.431 2.187 ( 0.000 -0.014 0.000) 0.014 2.393 ( 0.000 2.604 0.000) 2.604 2.444 ( 0.000 -5.166 0.000) 5.166 2.514 ( 0.000 -1.331 0.000) 1.331 2.622 ( 0.000 -1.287 0.000) 1.287 2.689 ( 0.000 1.598 0.000) 1.598 2.760 ( 0.000 -1.667 0.000) 1.667 2.904 ( 0.000 3.417 0.000) 3.417 2.953 ( 0.000 1.030 0.000) 1.030 2.986 ( 0.000 -4.512 0.000) 4.512 3.053 ( 0.000 4.584 0.000) 4.584 3.122 ( 0.000 -9.664 0.000) 9.664 3.243 ( 0.000 4.562 0.000) 4.562 3.291 ( 0.000 0.517 0.000) 0.517 3.363 ( 0.000 -0.451 0.000) 0.451 3.413 ( 0.000 2.089 0.000) 2.089 3.420 ( 0.000 -7.628 0.000) 7.628 3.510 ( 0.000 -1.458 0.000) 1.458 3.654 ( 0.000 3.185 0.000) 3.185 3.707 ( 0.000 8.853 0.000) 8.853 3.720 ( 0.000 4.087 0.000) 4.087 3.721 ( 0.000 -7.712 0.000) 7.712 3.794 ( 0.000 -5.032 0.000) 5.032 3.876 ( 0.000 7.206 0.000) 7.206 3.963 ( 0.000 -5.400 0.000) 5.400 4.037 ( 0.000 -1.663 0.000) 1.663 4.071 ( 0.000 2.633 0.000) 2.633 4.090 ( 0.000 9.099 0.000) 9.099 4.182 ( 0.000 1.818 0.000) 1.818 4.268 ( 0.000 -4.012 0.000) 4.012 4.351 ( 0.000 1.408 0.000) 1.408 4.358 ( 0.000 -0.832 0.000) 0.832 4.473 ( 0.000 1.155 0.000) 1.155 4.556 ( 0.000 -13.117 0.000) 13.117 4.609 ( 0.000 2.882 0.000) 2.882 4.709 ( 0.000 -8.402 0.000) 8.402 4.718 ( 0.000 -0.744 0.000) 0.744 4.766 ( 0.000 5.203 0.000) 5.203 4.905 ( 0.000 -0.352 0.000) 0.352 4.958 ( 0.000 -9.508 0.000) 9.508 4.991 ( 0.000 2.557 0.000) 2.557 5.059 ( 0.000 6.641 0.000) 6.641 5.090 ( 0.000 4.712 0.000) 4.712 5.239 ( 0.000 -3.326 0.000) 3.326 5.342 ( 0.000 0.035 0.000) 0.035 5.360 ( 0.000 3.430 0.000) 3.430 5.381 ( 0.000 4.836 0.000) 4.836 5.431 ( 0.000 0.973 0.000) 0.973 5.475 ( 0.000 -12.176 0.000) 12.176 5.516 ( 0.000 5.204 0.000) 5.204 5.578 ( 0.000 0.969 0.000) 0.969 5.627 ( 0.000 1.715 0.000) 1.715 5.680 ( 0.000 -4.399 0.000) 4.399 5.824 ( 0.000 -0.203 0.000) 0.203 5.842 ( 0.000 -3.731 0.000) 3.731 5.986 ( 0.000 -0.768 0.000) 0.768 6.033 ( 0.000 -5.814 0.000) 5.814 6.081 ( 0.000 0.278 0.000) 0.278 6.113 ( 0.000 4.858 0.000) 4.858 6.160 ( 0.000 -1.431 0.000) 1.431 6.269 ( 0.000 2.604 0.000) 2.604 6.299 ( 0.000 2.385 0.000) 2.385 6.432 ( 0.000 0.141 0.000) 0.141 6.471 ( 0.000 1.099 0.000) 1.099 6.479 ( 0.000 5.003 0.000) 5.003 6.546 ( 0.000 6.255 0.000) 6.255 6.610 ( 0.000 -2.115 0.000) 2.115 6.658 ( 0.000 -0.309 0.000) 0.309 6.807 ( 0.000 0.095 0.000) 0.095 6.838 ( 0.000 0.196 0.000) 0.196 6.854 ( 0.000 3.020 0.000) 3.020 6.974 ( 0.000 1.097 0.000) 1.097 7.136 ( 0.000 4.844 0.000) 4.844 7.162 ( 0.000 -9.400 0.000) 9.400 7.272 ( 0.000 1.947 0.000) 1.947 7.390 ( 0.000 2.893 0.000) 2.893 7.393 ( 0.000 -3.604 0.000) 3.604 7.649 ( 0.000 -6.475 0.000) 6.475 7.747 ( 0.000 -2.463 0.000) 2.463 7.786 ( 0.000 -4.201 0.000) 4.201 7.862 ( 0.000 -7.929 0.000) 7.929 8.084 ( 0.000 2.798 0.000) 2.798 8.203 ( 0.000 -1.085 0.000) 1.085 8.247 ( 0.000 3.714 0.000) 3.714 8.397 ( 0.000 0.331 0.000) 0.331 8.444 ( 0.000 1.686 0.000) 1.686 8.522 ( 0.000 -1.996 0.000) 1.996 8.610 ( 0.000 6.564 0.000) 6.564 8.770 ( 0.000 2.450 0.000) 2.450 8.869 ( 0.000 -1.074 0.000) 1.074 8.964 ( 0.000 -1.962 0.000) 1.962 8.974 ( 0.000 3.407 0.000) 3.407 9.292 ( 0.000 -3.200 0.000) 3.200 9.976 ( 0.000 1.463 0.000) 1.463 10.140 ( 0.000 -2.505 0.000) 2.505 10.270 ( 0.000 1.273 0.000) 1.273 10.279 ( 0.000 3.081 0.000) 3.081 10.415 ( 0.000 0.613 0.000) 0.613 10.507 ( 0.000 -2.289 0.000) 2.289 10.758 ( 0.000 4.842 0.000) 4.842 10.875 ( 0.000 -8.130 0.000) 8.130 10.978 ( 0.000 -7.163 0.000) 7.163 11.124 ( 0.000 -1.619 0.000) 1.619 11.137 ( 0.000 -3.484 0.000) 3.484 11.228 ( 0.000 -4.296 0.000) 4.296 11.304 ( 0.000 5.490 0.000) 5.490 11.385 ( 0.000 3.125 0.000) 3.125 11.452 ( 0.000 1.852 0.000) 1.852 11.468 ( 0.000 0.243 0.000) 0.243 11.534 ( 0.000 4.499 0.000) 4.499 11.598 ( 0.000 -0.325 0.000) 0.325 11.689 ( 0.000 -0.929 0.000) 0.929 11.734 ( 0.000 0.335 0.000) 0.335 11.768 ( 0.000 1.137 0.000) 1.137 11.827 ( 0.000 -1.325 0.000) 1.325 12.017 ( 0.000 0.205 0.000) 0.205 12.026 ( 0.000 -0.256 0.000) 0.256 12.628 ( 0.000 1.268 0.000) 1.268 12.747 ( 0.000 -0.860 0.000) 0.860 13.215 ( 0.000 2.034 0.000) 2.034 13.261 ( 0.000 0.127 0.000) 0.127 13.966 ( 0.000 2.574 0.000) 2.574 13.990 ( 0.000 3.018 0.000) 3.018 14.209 ( 0.000 -2.014 0.000) 2.014 14.238 ( 0.000 -3.043 0.000) 3.043 14.826 ( 0.000 0.869 0.000) 0.869 14.908 ( 0.000 -0.387 0.000) 0.387 14.997 ( 0.000 1.729 0.000) 1.729 15.233 ( 0.000 -4.196 0.000) 4.196 16.538 ( 0.000 -0.015 0.000) 0.015 16.543 ( 0.000 -0.071 0.000) 0.071 16.610 ( 0.000 0.554 0.000) 0.554 16.652 ( 0.000 -0.183 0.000) 0.183 16.706 ( 0.000 4.846 0.000) 4.846 16.823 ( 0.000 6.239 0.000) 6.239 17.039 ( 0.000 -2.847 0.000) 2.847 17.347 ( 0.000 -5.068 0.000) 5.068 22.913 ( 0.000 3.357 0.000) 3.357 23.027 ( 0.000 1.174 0.000) 1.174 23.070 ( 0.000 0.342 0.000) 0.342 23.263 ( 0.000 -4.536 0.000) 4.536 23.501 ( 0.000 3.147 0.000) 3.147 23.685 ( 0.000 0.932 0.000) 0.932 23.969 ( 0.000 -2.828 0.000) 2.828 24.102 ( 0.000 0.295 0.000) 0.295 24.150 ( 0.000 -2.883 0.000) 2.883 24.288 ( 0.000 8.057 0.000) 8.057 24.293 ( 0.000 -4.298 0.000) 4.298 24.483 ( 0.000 3.729 0.000) 3.729 24.485 ( 0.000 -0.525 0.000) 0.525 24.792 ( 0.000 -0.585 0.000) 0.585 25.048 ( 0.000 -3.605 0.000) 3.605 25.052 ( 0.000 -3.480 0.000) 3.480 25.192 ( 0.000 0.463 0.000) 0.463 25.277 ( 0.000 -1.919 0.000) 1.919 25.633 ( 0.000 4.062 0.000) 4.062 25.835 ( 0.000 -0.801 0.000) 0.801 25.928 ( 0.000 4.193 0.000) 4.193 26.504 ( 0.000 -12.099 0.000) 12.099 27.170 ( 0.000 10.497 0.000) 10.497 27.638 ( 0.000 -3.384 0.000) 3.384 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 11.126 21.368 -3.030) 24.281 0.847 ( 32.716 8.548 -13.571) 36.436 1.331 ( 32.040 19.045 11.815) 39.101 1.695 ( 0.696 -3.256 -11.690) 12.155 1.812 ( 2.656 4.500 -2.528) 5.805 1.907 ( 1.561 -0.783 -0.366) 1.784 2.038 ( 0.905 2.086 1.597) 2.778 2.186 ( 0.688 -0.138 0.914) 1.152 2.320 ( -4.299 2.884 -3.597) 6.304 2.427 ( -1.651 -6.321 -2.782) 7.101 2.536 ( 1.169 -1.449 4.618) 4.979 2.673 ( 5.158 2.680 -1.859) 6.103 2.724 ( -3.488 -0.624 3.073) 4.690 2.754 ( 4.171 -2.576 0.039) 4.903 2.869 ( -3.833 1.047 1.683) 4.316 2.915 ( -3.431 3.049 -4.829) 6.662 2.971 ( 2.495 -0.177 3.056) 3.949 3.092 ( -0.005 3.671 -2.092) 4.225 3.159 ( 3.806 -6.910 5.935) 9.872 3.213 ( -3.789 1.261 -3.529) 5.329 3.305 ( -4.498 -1.501 4.958) 6.860 3.367 ( 7.222 -2.634 0.633) 7.713 3.394 ( 1.349 -0.254 -0.430) 1.438 3.488 ( 2.505 -0.684 -7.794) 8.215 3.559 ( 1.586 -0.536 -1.931) 2.556 3.628 ( -3.272 0.243 0.791) 3.375 3.670 ( 2.518 4.013 2.067) 5.169 3.739 ( -2.066 -2.781 -2.444) 4.240 3.765 ( 3.696 2.592 2.914) 5.373 3.835 ( 2.012 -0.378 -1.825) 2.742 3.869 ( 1.482 2.568 0.502) 3.008 3.920 ( -2.008 -2.761 -0.190) 3.419 3.989 ( 0.817 0.922 -1.946) 2.303 4.042 ( -3.798 4.049 -4.843) 7.367 4.134 ( -2.097 2.277 3.737) 4.852 4.175 ( -1.320 1.626 0.464) 2.145 4.214 ( 1.649 1.135 0.449) 2.051 4.285 ( -3.546 3.871 -3.393) 6.251 4.361 ( -0.656 -0.231 5.153) 5.199 4.513 ( 3.214 0.775 -9.590) 10.144 4.558 ( -1.779 -0.566 2.695) 3.278 4.586 ( 2.664 -7.492 0.879) 8.000 4.714 ( 1.148 -7.554 2.218) 7.956 4.775 ( 1.928 4.825 7.625) 9.227 4.819 ( 1.959 -5.629 0.152) 5.962 4.858 ( -2.669 -4.000 1.396) 5.007 4.942 ( -3.412 5.503 7.420) 9.848 4.976 ( 0.353 -3.851 -0.507) 3.900 5.086 ( 0.294 3.834 1.060) 3.988 5.117 ( 2.821 1.292 2.360) 3.898 5.234 ( -1.309 -0.976 0.287) 1.658 5.334 ( -2.146 1.222 -1.697) 2.997 5.366 ( 0.254 3.155 -1.932) 3.708 5.396 ( 1.680 -0.799 -0.225) 1.874 5.439 ( 0.078 1.255 3.824) 4.025 5.485 ( 0.744 -9.891 1.062) 9.976 5.521 ( 1.667 0.468 -4.546) 4.865 5.559 ( -0.673 1.699 3.546) 3.989 5.637 ( 1.894 1.116 -2.117) 3.052 5.659 ( -1.293 0.425 2.018) 2.434 5.810 ( -0.737 0.848 2.448) 2.693 5.871 ( 2.152 -3.151 -0.473) 3.844 5.897 ( -0.945 0.197 0.246) 0.996 6.021 ( -1.612 -4.479 -9.268) 10.419 6.057 ( -3.238 -3.850 -0.308) 5.040 6.094 ( -3.915 -2.080 3.067) 5.391 6.134 ( -2.093 8.305 6.239) 10.597 6.254 ( -0.835 0.672 1.352) 1.726 6.330 ( -1.873 1.285 -1.409) 2.673 6.401 ( -3.537 0.084 -0.757) 3.618 6.453 ( -3.603 5.608 -2.938) 7.284 6.496 ( 0.923 1.479 -1.375) 2.220 6.549 ( 0.597 2.382 -0.653) 2.541 6.599 ( 0.259 -0.846 3.329) 3.445 6.679 ( 2.303 -0.279 1.598) 2.817 6.742 ( -3.446 0.079 -1.412) 3.725 6.798 ( -1.331 0.504 -6.758) 6.906 6.963 ( 4.762 1.310 3.094) 5.828 6.984 ( -0.370 1.897 0.835) 2.105 7.056 ( -3.953 6.272 -8.392) 11.198 7.140 ( -2.763 -5.592 5.105) 8.060 7.294 ( 1.117 -1.698 -1.045) 2.285 7.380 ( -1.058 1.582 3.255) 3.771 7.456 ( 2.660 -5.104 5.733) 8.123 7.619 ( -1.143 -7.550 4.979) 9.116 7.748 ( 0.519 -0.691 6.665) 6.721 7.854 ( 4.597 -5.540 -0.317) 7.206 7.885 ( 0.180 -4.366 -0.663) 4.420 8.045 ( 0.584 3.693 -1.402) 3.993 8.222 ( -0.651 3.385 -0.784) 3.535 8.273 ( 2.710 -5.373 -4.693) 7.631 8.386 ( -2.149 1.570 3.114) 4.096 8.429 ( -0.794 0.433 -3.011) 3.144 8.508 ( -1.750 -2.514 -0.302) 3.078 8.605 ( -0.520 6.861 3.395) 7.672 8.759 ( -1.382 1.526 0.975) 2.278 8.853 ( -1.412 -0.603 -0.377) 1.581 8.913 ( -1.868 0.875 -2.845) 3.514 9.022 ( 1.821 0.161 3.846) 4.258 9.282 ( -0.887 -3.296 -0.196) 3.419 9.949 ( -0.939 3.469 -0.879) 3.700 10.194 ( 2.468 -1.739 -3.534) 4.648 10.232 ( -0.164 0.333 4.925) 4.939 10.355 ( 4.585 1.492 -8.948) 10.164 10.422 ( 0.687 0.522 0.401) 0.952 10.524 ( 1.678 -2.337 -2.229) 3.640 10.669 ( -4.276 8.807 -7.253) 12.184 10.884 ( 0.880 -7.362 1.229) 7.516 10.982 ( 0.291 -6.640 -1.717) 6.864 11.085 ( -2.417 -2.160 -0.567) 3.291 11.142 ( -2.248 -0.135 3.620) 4.264 11.197 ( -0.225 -2.280 0.087) 2.293 11.342 ( 1.428 0.598 -3.744) 4.052 11.381 ( -1.343 1.248 1.673) 2.482 11.403 ( 0.780 3.451 -1.118) 3.710 11.493 ( -1.200 1.811 1.528) 2.656 11.525 ( 0.267 2.892 2.976) 4.159 11.603 ( -0.854 -0.850 -0.300) 1.242 11.650 ( -1.787 0.208 0.926) 2.024 11.724 ( -0.922 -0.055 -0.345) 0.986 11.769 ( -0.633 1.823 1.104) 2.223 11.821 ( -0.160 -0.099 -0.273) 0.332 12.003 ( -1.104 -0.149 0.977) 1.481 12.011 ( -2.126 0.437 1.103) 2.434 12.709 ( 3.696 -1.517 -7.524) 8.519 12.777 ( 3.438 -1.479 -5.157) 6.372 13.126 ( -5.452 3.723 -1.946) 6.883 13.277 ( -0.624 0.308 4.951) 5.000 13.968 ( 0.227 2.644 -1.384) 2.993 14.091 ( 6.329 -1.868 5.701) 8.720 14.245 ( 3.521 -2.026 -0.010) 4.062 14.258 ( 1.684 -2.415 1.306) 3.221 14.850 ( 1.901 1.107 0.730) 2.318 14.896 ( -1.826 2.603 0.566) 3.229 14.936 ( -1.622 4.083 0.642) 4.440 15.280 ( 2.434 -6.136 -3.878) 7.656 16.543 ( 0.333 -0.093 0.326) 0.475 16.552 ( 0.645 -0.553 -0.743) 1.129 16.620 ( 0.993 0.473 -0.190) 1.116 16.656 ( 0.515 0.072 0.059) 0.524 16.705 ( 0.203 4.268 -1.397) 4.495 16.818 ( -0.391 6.471 0.304) 6.490 17.051 ( 0.861 -3.413 0.354) 3.538 17.345 ( -0.321 -5.079 0.386) 5.103 22.925 ( 0.449 3.200 -2.031) 3.817 23.012 ( -0.936 0.368 1.416) 1.737 23.109 ( 3.740 -2.306 -4.616) 6.372 23.289 ( 2.773 -4.242 -2.978) 5.878 23.473 ( -1.862 3.906 -0.803) 4.401 23.684 ( -0.464 0.904 -2.054) 2.292 23.869 ( -14.136 12.361 -7.970) 20.400 23.909 ( -6.442 -3.442 1.848) 7.534 24.070 ( -4.199 0.924 1.333) 4.501 24.137 ( -9.613 3.775 0.222) 10.330 24.278 ( -1.702 -3.009 0.285) 3.469 24.443 ( -3.531 2.623 -1.124) 4.540 24.534 ( 4.953 0.383 -8.181) 9.571 24.760 ( -8.909 2.324 -0.324) 9.213 24.843 ( 2.327 0.697 -1.377) 2.792 25.240 ( 4.283 -6.603 -1.238) 7.967 25.314 ( 5.749 -2.849 -1.436) 6.574 25.375 ( 8.044 0.245 -6.336) 10.243 25.651 ( 1.838 1.882 4.798) 5.471 25.919 ( 2.822 5.825 1.388) 6.619 26.077 ( 8.834 -19.123 11.669) 24.081 26.588 ( 6.601 -12.942 1.429) 14.598 27.143 ( -2.562 11.479 -2.859) 12.104 27.497 ( -10.675 4.486 15.420) 19.283 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 18.028 10.123 2.916) 20.880 1.408 ( 26.125 8.587 -6.513) 28.261 1.618 ( -0.432 -1.921 -9.130) 9.340 1.844 ( 9.005 0.729 -6.173) 10.942 1.945 ( 2.984 -0.398 -2.739) 4.070 2.008 ( 7.478 6.431 8.329) 12.909 2.182 ( 21.110 3.100 -3.060) 21.555 2.258 ( -1.025 -2.375 -4.359) 5.068 2.266 ( 7.295 0.779 2.000) 7.604 2.415 ( 1.536 -4.151 -1.127) 4.567 2.536 ( -1.411 -2.645 1.941) 3.571 2.633 ( -4.013 3.096 9.353) 10.638 2.761 ( 2.054 3.283 -6.167) 7.282 2.809 ( 1.576 -3.038 4.588) 5.723 2.858 ( 2.279 -0.853 -3.573) 4.323 2.922 ( 5.995 0.932 -4.697) 7.673 2.993 ( -2.561 -1.637 -0.169) 3.044 3.039 ( 1.152 6.721 -8.699) 11.053 3.131 ( -3.857 1.418 2.107) 4.618 3.231 ( -2.985 -4.702 2.064) 5.940 3.246 ( -0.509 0.543 6.362) 6.406 3.364 ( -2.610 -1.372 -9.394) 9.846 3.460 ( -3.797 -1.273 -6.303) 7.468 3.493 ( 0.032 -3.166 2.288) 3.906 3.554 ( 0.087 1.175 3.396) 3.594 3.585 ( 1.918 0.487 2.686) 3.337 3.718 ( -1.300 4.059 2.825) 5.113 3.731 ( 1.236 5.933 3.450) 6.973 3.781 ( -3.037 0.533 -0.658) 3.153 3.859 ( -2.506 4.131 3.958) 6.246 3.878 ( 1.476 2.440 -7.011) 7.569 3.921 ( -1.626 0.190 -2.761) 3.209 4.003 ( 4.211 -2.454 2.793) 5.617 4.058 ( 3.656 -4.858 -3.708) 7.121 4.089 ( 0.419 3.966 1.549) 4.278 4.158 ( 1.743 0.608 5.386) 5.694 4.257 ( 4.308 0.878 2.355) 4.988 4.335 ( 7.844 3.438 -5.305) 10.074 4.376 ( 1.256 -3.315 4.695) 5.883 4.465 ( -1.873 1.922 -0.905) 2.832 4.610 ( 1.147 -3.592 -4.703) 6.028 4.680 ( 3.271 -5.430 -1.433) 6.499 4.713 ( -1.478 -0.499 7.112) 7.281 4.779 ( 0.030 -6.311 1.060) 6.399 4.810 ( -0.992 -0.281 4.008) 4.139 4.860 ( 1.734 1.184 1.430) 2.541 4.919 ( -0.021 5.002 4.469) 6.708 4.973 ( -0.862 -2.099 2.051) 3.059 5.087 ( 0.086 3.060 1.387) 3.361 5.125 ( -1.974 -1.617 4.636) 5.292 5.193 ( -2.803 -0.058 1.849) 3.358 5.271 ( -3.426 -2.138 -2.535) 4.768 5.346 ( -1.340 3.599 -2.844) 4.779 5.408 ( -2.734 -4.544 -4.420) 6.903 5.454 ( 2.097 -2.146 -2.209) 3.726 5.493 ( 3.757 0.745 1.475) 4.104 5.522 ( -3.502 -2.151 0.668) 4.163 5.619 ( 2.629 -1.371 6.799) 7.418 5.671 ( -0.092 3.189 -0.986) 3.339 5.691 ( 5.086 -1.335 -1.443) 5.452 5.820 ( 1.780 -0.403 0.598) 1.921 5.871 ( -2.729 -2.788 -1.877) 4.329 5.910 ( -0.541 -3.340 -0.337) 3.401 5.942 ( -4.225 -1.470 2.699) 5.224 5.995 ( 0.523 1.204 -3.947) 4.160 6.074 ( 1.791 -1.487 -0.662) 2.420 6.103 ( -1.648 3.780 3.894) 5.672 6.210 ( -2.670 1.008 -2.181) 3.592 6.284 ( -4.134 6.056 -1.888) 7.572 6.320 ( -2.244 0.930 -0.682) 2.523 6.386 ( -1.594 -1.642 -0.963) 2.483 6.476 ( -4.518 0.529 1.947) 4.948 6.512 ( -0.280 -1.884 -1.197) 2.250 6.663 ( 1.255 1.667 0.411) 2.127 6.672 ( -2.530 0.877 1.918) 3.294 6.719 ( 0.233 0.082 -2.193) 2.207 6.765 ( -0.932 0.612 -0.933) 1.454 6.901 ( -6.743 1.111 4.078) 7.958 6.965 ( -0.694 8.267 -2.622) 8.700 7.051 ( 1.686 -0.830 -2.949) 3.497 7.150 ( 1.526 -1.249 3.496) 4.014 7.293 ( -1.627 -1.584 -0.681) 2.371 7.351 ( -2.101 2.561 2.030) 3.886 7.462 ( -1.882 -5.993 2.544) 6.777 7.630 ( 0.718 -9.363 4.965) 10.623 7.717 ( -5.319 0.157 2.787) 6.007 7.895 ( 2.822 -0.548 -2.629) 3.895 7.952 ( 5.624 -4.205 -2.944) 7.614 8.103 ( 3.202 -1.018 -1.344) 3.619 8.208 ( 0.317 1.834 -3.836) 4.264 8.308 ( 0.670 -2.915 0.734) 3.080 8.334 ( -2.309 3.584 0.217) 4.269 8.403 ( -1.708 -0.400 -0.059) 1.755 8.456 ( -2.633 -1.543 -2.934) 4.233 8.613 ( 0.532 4.481 6.010) 7.516 8.718 ( -2.899 0.966 1.025) 3.223 8.821 ( -1.655 0.556 -0.284) 1.769 8.897 ( 0.502 1.070 -3.266) 3.474 9.045 ( 0.144 -0.716 3.926) 3.994 9.258 ( -1.565 -3.896 -0.102) 4.200 9.949 ( 0.889 3.568 -2.221) 4.296 10.198 ( -0.365 1.326 1.023) 1.714 10.269 ( 1.917 -1.182 0.693) 2.356 10.420 ( 3.124 1.629 -5.711) 6.710 10.443 ( 1.390 -0.400 1.036) 1.779 10.553 ( 1.404 -2.203 -4.180) 4.929 10.632 ( 0.644 7.242 -6.600) 9.819 10.909 ( 0.823 -8.589 2.262) 8.920 10.968 ( -1.253 -2.376 -1.257) 2.966 11.049 ( -0.972 -2.183 -0.436) 2.430 11.095 ( -2.272 -1.135 3.192) 4.079 11.209 ( 1.152 -0.801 0.321) 1.439 11.320 ( -1.631 -2.304 -0.642) 2.894 11.403 ( 1.876 0.818 -3.002) 3.633 11.412 ( -0.697 2.204 1.788) 2.923 11.475 ( 0.037 3.083 0.812) 3.188 11.537 ( -1.957 -1.345 1.093) 2.614 11.551 ( -1.268 0.498 2.180) 2.571 11.633 ( -1.198 2.369 0.633) 2.729 11.713 ( -0.342 1.130 0.046) 1.182 11.755 ( -0.262 1.321 -0.123) 1.352 11.814 ( -0.665 0.298 -0.694) 1.006 11.955 ( -3.563 1.840 1.941) 4.455 11.985 ( -0.789 -0.646 1.384) 1.719 12.739 ( 0.920 0.271 -3.538) 3.665 12.824 ( 1.777 -1.430 -5.017) 5.511 13.044 ( -2.723 4.469 -0.853) 5.302 13.239 ( -3.817 -0.319 5.026) 6.319 13.969 ( 0.007 2.644 -1.413) 2.998 14.195 ( 4.004 -1.692 3.389) 5.511 14.293 ( 1.481 -1.476 1.187) 2.404 14.330 ( 4.876 -2.344 0.111) 5.411 14.853 ( -0.696 6.879 0.429) 6.928 14.905 ( 1.726 -0.067 0.510) 1.801 14.943 ( 1.740 1.054 0.282) 2.054 15.302 ( 0.532 -5.146 -2.472) 5.734 16.552 ( 0.470 -0.001 0.522) 0.702 16.560 ( 0.321 -0.291 -0.303) 0.529 16.643 ( 1.355 0.408 -0.215) 1.431 16.671 ( 0.981 0.484 0.270) 1.127 16.709 ( 0.361 3.199 -1.838) 3.707 16.812 ( -0.249 6.493 0.531) 6.519 17.068 ( 0.836 -3.758 0.074) 3.851 17.337 ( -0.497 -5.086 0.523) 5.137 22.918 ( -0.547 1.622 -1.475) 2.259 23.001 ( -0.588 -1.624 2.353) 2.919 23.183 ( 4.362 -1.066 -6.600) 7.983 23.352 ( 4.076 -3.034 -5.640) 7.591 23.455 ( 0.188 2.888 -2.866) 4.073 23.632 ( -5.122 5.612 3.940) 8.559 23.714 ( -3.389 3.740 -3.871) 6.361 23.765 ( -6.455 -3.661 -0.424) 7.434 23.963 ( -8.211 3.595 0.690) 8.990 23.982 ( -5.013 2.593 1.651) 5.880 24.260 ( 0.001 -3.084 2.504) 3.973 24.383 ( -2.392 3.725 -2.085) 4.893 24.563 ( -3.139 0.787 -1.325) 3.497 24.641 ( -1.720 -1.248 -1.582) 2.649 24.878 ( 1.561 0.723 -1.826) 2.509 25.230 ( -4.836 -4.734 1.061) 6.849 25.440 ( 8.018 -0.869 -6.734) 10.507 25.540 ( 8.854 -0.082 -4.689) 10.019 25.707 ( 2.763 -1.899 6.959) 7.725 25.970 ( 2.000 8.090 0.441) 8.345 26.184 ( 2.650 -19.500 8.689) 21.512 26.685 ( 3.236 -11.681 -2.892) 12.461 27.073 ( -3.855 13.680 -3.342) 14.601 27.356 ( -5.966 4.342 13.772) 15.624 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 14.898 5.597 5.159) 16.730 1.575 ( -0.387 -0.497 -8.868) 8.890 1.802 ( 10.705 6.153 -4.204) 13.043 1.917 ( 2.203 2.761 -8.133) 8.867 2.016 ( 4.641 -0.729 -0.712) 4.751 2.150 ( 2.033 0.681 11.224) 11.427 2.235 ( 6.296 -1.785 1.122) 6.639 2.309 ( -1.531 -4.366 -3.440) 5.765 2.411 ( -0.698 -0.365 4.586) 4.653 2.482 ( 7.376 -4.371 0.450) 8.585 2.593 ( -1.126 3.404 7.575) 8.380 2.658 ( 5.136 -2.295 -8.812) 10.455 2.760 ( 2.038 -3.998 -4.835) 6.597 2.854 ( 3.303 4.066 -1.916) 5.578 2.931 ( 3.300 2.101 -0.052) 3.913 2.981 ( 1.168 -3.674 -4.788) 6.147 3.017 ( 1.998 -2.753 0.284) 3.414 3.076 ( -7.630 -5.217 -2.447) 9.561 3.121 ( 7.166 5.136 -10.922) 14.037 3.155 ( 0.928 0.563 5.528) 5.634 3.222 ( 0.405 1.837 1.389) 2.338 3.281 ( -3.964 4.564 -4.111) 7.311 3.356 ( -5.650 3.352 -2.244) 6.943 3.491 ( -4.791 2.430 5.873) 7.959 3.506 ( -5.700 1.957 -0.173) 6.029 3.560 ( -7.332 7.343 -3.616) 10.989 3.639 ( -3.668 3.199 0.284) 4.876 3.725 ( 7.119 -2.870 8.295) 11.301 3.794 ( 5.944 2.913 4.427) 7.963 3.891 ( 3.941 -1.928 -5.108) 6.734 3.902 ( 1.021 -0.369 6.427) 6.518 3.945 ( 1.868 1.323 -4.274) 4.849 4.042 ( 5.317 -2.040 6.436) 8.594 4.148 ( 5.815 3.613 0.349) 6.855 4.180 ( 3.248 2.455 -1.569) 4.363 4.226 ( 3.923 -3.034 4.593) 6.759 4.354 ( 1.651 0.347 -2.591) 3.091 4.379 ( -1.303 -1.040 -0.152) 1.674 4.421 ( 3.861 0.442 -0.281) 3.896 4.508 ( -2.030 1.315 3.296) 4.088 4.569 ( -3.445 -2.773 3.820) 5.844 4.622 ( 2.115 -3.038 -1.099) 3.862 4.729 ( -7.103 -2.339 1.971) 7.734 4.764 ( 0.183 -3.067 -1.322) 3.345 4.824 ( -2.545 -4.052 -3.161) 5.735 4.889 ( 3.860 3.278 -2.536) 5.663 4.954 ( -0.275 4.263 5.740) 7.155 4.965 ( 2.621 2.439 0.480) 3.612 5.096 ( -2.841 -1.705 1.512) 3.642 5.111 ( 1.591 3.408 4.966) 6.229 5.143 ( 0.777 -1.834 -1.597) 2.553 5.235 ( 0.185 -3.594 1.056) 3.750 5.335 ( 0.721 1.204 -0.472) 1.481 5.342 ( -2.830 -3.579 -4.677) 6.534 5.399 ( -4.634 0.403 -1.780) 4.981 5.484 ( -0.931 -1.496 -3.926) 4.304 5.517 ( -0.635 1.354 2.599) 2.999 5.641 ( -2.543 1.363 1.824) 3.413 5.672 ( 2.579 3.375 -1.454) 4.490 5.735 ( -7.392 2.101 0.474) 7.699 5.800 ( 2.125 0.676 -1.589) 2.738 5.856 ( -0.191 -5.084 2.650) 5.736 5.910 ( 2.043 -4.908 1.940) 5.659 5.941 ( 2.837 -4.711 -3.366) 6.448 6.040 ( 3.056 -1.204 3.232) 4.608 6.099 ( 0.330 -0.455 3.979) 4.019 6.115 ( 1.536 1.011 -5.755) 6.041 6.178 ( -0.403 0.733 -0.825) 1.175 6.205 ( -1.682 1.287 1.192) 2.430 6.322 ( 0.709 -1.021 -2.480) 2.774 6.358 ( -1.621 -0.907 -1.499) 2.386 6.413 ( -1.626 -0.627 -0.480) 1.808 6.491 ( -1.212 -2.357 -1.459) 3.025 6.612 ( -3.796 4.152 1.214) 5.755 6.626 ( -1.847 2.233 5.655) 6.354 6.698 ( -2.763 -2.434 -0.892) 3.789 6.788 ( 1.499 1.213 1.387) 2.375 6.831 ( -0.998 3.693 -0.504) 3.858 6.973 ( 1.531 6.789 0.780) 7.003 7.060 ( 0.203 -0.430 -2.743) 2.784 7.176 ( 0.444 -0.850 -0.642) 1.154 7.237 ( -2.718 2.267 2.653) 4.423 7.313 ( -2.256 1.052 -0.143) 2.493 7.410 ( -3.285 -5.777 1.406) 6.793 7.571 ( -7.148 -1.209 2.913) 7.813 7.664 ( 0.844 -10.265 -2.016) 10.495 7.962 ( 3.676 0.712 -0.374) 3.763 8.047 ( 3.634 -3.300 -5.676) 7.504 8.116 ( -0.409 -0.561 2.747) 2.833 8.228 ( 0.755 0.351 -1.799) 1.983 8.274 ( -1.958 0.358 -0.186) 1.999 8.333 ( 0.204 4.075 -0.586) 4.122 8.385 ( 0.714 0.536 -0.677) 1.120 8.429 ( -0.128 -0.957 -1.563) 1.837 8.622 ( -0.587 0.259 6.810) 6.840 8.660 ( -2.715 0.047 -0.911) 2.864 8.802 ( -0.092 2.833 -0.375) 2.859 8.916 ( 1.543 1.323 -2.964) 3.593 9.040 ( -0.990 -1.446 3.043) 3.512 9.224 ( -1.757 -4.201 0.218) 4.559 9.969 ( 1.152 3.374 -1.836) 4.010 10.193 ( -0.219 0.512 0.483) 0.737 10.296 ( 0.801 0.683 1.068) 1.500 10.457 ( 1.323 2.408 -1.592) 3.176 10.479 ( 1.862 -1.898 0.558) 2.716 10.566 ( 0.694 -2.790 -3.528) 4.551 10.645 ( 0.891 6.688 -4.137) 7.915 10.884 ( -2.445 -7.524 2.211) 8.215 10.977 ( 0.998 -0.605 0.493) 1.267 11.038 ( 0.210 -0.014 -0.468) 0.513 11.075 ( -0.389 -4.677 1.087) 4.818 11.239 ( 1.611 0.195 -0.855) 1.834 11.294 ( -0.895 -3.149 -0.764) 3.362 11.395 ( -0.865 -0.630 2.224) 2.468 11.424 ( 0.590 1.190 -2.195) 2.565 11.450 ( -3.314 -4.937 3.458) 6.879 11.508 ( 1.303 5.002 -4.088) 6.590 11.553 ( -0.683 2.510 2.426) 3.557 11.615 ( -0.239 3.272 0.920) 3.407 11.695 ( -1.243 3.153 0.446) 3.418 11.765 ( 0.779 -0.923 -0.572) 1.337 11.798 ( -0.691 0.204 -0.900) 1.153 11.892 ( -2.850 3.278 1.568) 4.618 11.980 ( -0.058 -1.098 1.442) 1.813 12.745 ( 0.207 0.958 -1.824) 2.070 12.842 ( 0.732 -1.568 -2.089) 2.713 13.020 ( 0.129 3.887 -0.609) 3.936 13.158 ( -4.627 0.257 3.116) 5.584 13.964 ( -0.267 2.600 -0.728) 2.713 14.260 ( 2.553 -0.629 1.558) 3.056 14.311 ( 0.250 -1.628 0.486) 1.717 14.412 ( 3.197 -2.678 0.174) 4.175 14.850 ( 0.246 6.664 -0.021) 6.668 14.926 ( 0.621 0.837 0.228) 1.067 14.986 ( 2.003 -0.264 0.432) 2.066 15.303 ( -0.052 -4.652 -1.128) 4.788 16.561 ( 0.379 0.018 0.375) 0.534 16.565 ( 0.193 -0.010 -0.067) 0.204 16.666 ( 0.889 0.484 -0.078) 1.016 16.690 ( 0.905 0.938 0.625) 1.446 16.711 ( 0.021 2.399 -1.705) 2.943 16.810 ( -0.040 6.453 0.400) 6.466 17.081 ( 0.527 -4.102 -0.044) 4.136 17.329 ( -0.364 -5.068 0.360) 5.094 22.909 ( -0.211 -1.284 -0.901) 1.583 22.992 ( -0.603 -2.625 1.765) 3.220 23.254 ( 3.814 3.291 -5.398) 7.384 23.416 ( 2.329 0.988 -5.590) 6.136 23.467 ( 2.095 -0.313 -4.357) 4.844 23.525 ( -5.949 5.701 6.341) 10.397 23.627 ( -4.639 -0.959 2.747) 5.476 23.734 ( 1.385 -1.644 -3.422) 4.042 23.838 ( -4.611 4.259 0.554) 6.301 23.897 ( -3.601 1.100 1.344) 3.998 24.274 ( 0.566 -3.598 2.889) 4.649 24.342 ( -1.631 6.074 -1.184) 6.400 24.489 ( -2.804 1.944 1.894) 3.902 24.641 ( 1.123 -6.406 -2.350) 6.915 24.881 ( -1.654 -1.796 -3.258) 4.071 25.131 ( -4.072 1.691 1.365) 4.616 25.565 ( 5.575 -1.749 -4.399) 7.313 25.664 ( 2.924 -3.436 -2.438) 5.128 25.779 ( 4.963 -0.291 5.154) 7.161 25.977 ( -1.704 3.204 0.779) 3.712 26.232 ( 1.563 -12.712 4.634) 13.620 26.719 ( 1.195 -10.164 -4.125) 11.034 27.008 ( -2.286 14.060 -1.047) 14.283 27.289 ( -2.624 2.860 7.101) 8.093 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.000 2.966 -0.000) 2.966 1.539 ( 0.000 2.253 0.000) 2.253 1.874 ( 0.000 0.016 -0.000) 0.016 1.936 ( 0.000 7.460 -0.000) 7.460 2.094 ( -0.000 -5.104 -0.000) 5.104 2.095 ( 0.000 -3.780 0.000) 3.780 2.257 ( 0.000 -2.796 0.000) 2.796 2.397 ( 0.000 1.159 0.000) 1.159 2.510 ( -0.000 0.507 -0.000) 0.507 2.511 ( 0.000 11.405 0.000) 11.405 2.583 ( 0.000 -13.307 0.000) 13.307 2.622 ( 0.000 1.320 -0.000) 1.320 2.836 ( 0.000 -3.948 -0.000) 3.948 2.885 ( 0.000 -11.328 -0.000) 11.328 2.934 ( -0.000 2.747 0.000) 2.747 2.974 ( 0.000 0.135 0.000) 0.135 3.008 ( 0.000 -1.540 0.000) 1.540 3.074 ( 0.000 0.187 -0.000) 0.187 3.127 ( 0.000 6.083 -0.000) 6.083 3.168 ( -0.000 2.295 -0.000) 2.295 3.227 ( 0.000 8.338 0.000) 8.338 3.304 ( 0.000 8.296 -0.000) 8.296 3.318 ( -0.000 4.275 0.000) 4.275 3.340 ( 0.000 -5.131 0.000) 5.131 3.368 ( -0.000 2.271 0.000) 2.271 3.544 ( 0.000 7.822 0.000) 7.822 3.607 ( 0.000 0.420 0.000) 0.420 3.796 ( 0.000 -6.074 -0.000) 6.074 3.869 ( 0.000 -3.053 0.000) 3.053 3.934 ( 0.000 1.551 -0.000) 1.551 3.936 ( -0.000 -0.346 0.000) 0.346 4.077 ( 0.000 -7.743 0.000) 7.743 4.161 ( 0.000 2.246 0.000) 2.246 4.198 ( -0.000 -1.713 -0.000) 1.713 4.241 ( 0.000 1.398 -0.000) 1.398 4.274 ( -0.000 -0.580 0.000) 0.580 4.314 ( -0.000 -1.147 0.000) 1.147 4.352 ( 0.000 8.754 0.000) 8.754 4.444 ( 0.000 1.217 -0.000) 1.217 4.484 ( 0.000 3.031 -0.000) 3.031 4.495 ( 0.000 4.118 0.000) 4.118 4.560 ( 0.000 4.083 0.000) 4.083 4.701 ( 0.000 -1.351 0.000) 1.351 4.761 ( 0.000 -6.955 0.000) 6.955 4.802 ( 0.000 -5.500 0.000) 5.500 4.903 ( 0.000 0.509 0.000) 0.509 4.920 ( 0.000 1.221 -0.000) 1.221 4.981 ( 0.000 -1.041 0.000) 1.041 5.046 ( 0.000 2.198 -0.000) 2.198 5.142 ( 0.000 3.741 0.000) 3.741 5.200 ( 0.000 -3.256 0.000) 3.256 5.274 ( 0.000 -0.990 0.000) 0.990 5.325 ( 0.000 -5.923 0.000) 5.923 5.369 ( 0.000 2.478 0.000) 2.478 5.430 ( 0.000 -5.190 0.000) 5.190 5.452 ( 0.000 -0.197 -0.000) 0.197 5.464 ( -0.000 5.588 0.000) 5.588 5.572 ( 0.000 4.964 0.000) 4.964 5.604 ( 0.000 3.682 -0.000) 3.682 5.695 ( 0.000 1.945 0.000) 1.945 5.845 ( 0.000 -1.437 0.000) 1.437 5.861 ( 0.000 -4.903 0.000) 4.903 5.942 ( 0.000 -5.953 0.000) 5.953 5.961 ( 0.000 -1.283 -0.000) 1.283 6.075 ( 0.000 -4.285 0.000) 4.285 6.095 ( 0.000 -5.742 -0.000) 5.742 6.146 ( 0.000 -0.824 -0.000) 0.824 6.166 ( -0.000 2.865 0.000) 2.865 6.216 ( 0.000 1.500 0.000) 1.500 6.295 ( -0.000 -2.783 -0.000) 2.783 6.364 ( 0.000 -3.019 -0.000) 3.019 6.391 ( 0.000 0.659 0.000) 0.659 6.490 ( 0.000 0.067 0.000) 0.067 6.570 ( 0.000 5.516 -0.000) 5.516 6.619 ( 0.000 2.307 0.000) 2.307 6.654 ( -0.000 -1.764 -0.000) 1.764 6.806 ( 0.000 0.317 0.000) 0.317 6.811 ( -0.000 2.788 -0.000) 2.788 7.015 ( 0.000 6.535 0.000) 6.535 7.061 ( 0.000 0.382 -0.000) 0.382 7.146 ( 0.000 2.174 -0.000) 2.174 7.259 ( -2.957 0.217 -1.896) 3.519 7.259 ( 2.957 0.459 1.896) 3.542 7.371 ( 0.000 -4.845 0.000) 4.845 7.490 ( 0.000 -1.187 0.000) 1.187 7.673 ( 0.000 -11.558 0.000) 11.558 8.020 ( 0.000 1.050 -0.000) 1.050 8.037 ( 0.000 -2.088 -0.000) 2.088 8.143 ( 0.000 -0.939 -0.000) 0.939 8.220 ( 0.000 1.647 -0.000) 1.647 8.256 ( 0.000 -1.150 0.000) 1.150 8.334 ( 0.000 5.006 0.000) 5.006 8.412 ( 0.000 2.155 -0.000) 2.155 8.419 ( 0.000 -1.119 0.000) 1.119 8.617 ( 0.000 -0.302 0.000) 0.302 8.630 ( 0.000 -2.087 -0.000) 2.087 8.805 ( 0.000 3.775 0.000) 3.775 8.933 ( 0.000 1.746 0.000) 1.746 9.028 ( 0.000 -2.038 0.000) 2.038 9.205 ( 0.000 -4.267 0.000) 4.267 9.980 ( 0.000 3.284 0.000) 3.284 10.191 ( 0.000 0.137 -0.000) 0.137 10.304 ( 0.000 1.315 0.000) 1.315 10.470 ( 0.000 1.252 -0.000) 1.252 10.498 ( 0.000 -0.190 -0.000) 0.190 10.573 ( 0.000 -4.581 -0.000) 4.581 10.649 ( 0.000 7.316 -0.000) 7.316 10.860 ( 0.000 -6.679 0.000) 6.679 10.982 ( 0.000 0.992 0.000) 0.992 11.052 ( 0.000 -1.793 0.000) 1.793 11.069 ( 0.000 -4.496 0.000) 4.496 11.255 ( 0.000 0.526 0.000) 0.526 11.285 ( 0.000 -2.990 0.000) 2.990 11.388 ( 0.000 -3.486 0.000) 3.486 11.417 ( 0.000 -4.357 -0.000) 4.357 11.426 ( 0.000 1.649 0.000) 1.649 11.527 ( -0.000 4.558 0.000) 4.558 11.538 ( 0.000 3.203 -0.000) 3.203 11.618 ( 0.000 4.389 0.000) 4.389 11.681 ( 0.000 3.313 -0.000) 3.313 11.772 ( 0.000 -1.792 0.000) 1.792 11.790 ( 0.000 -0.160 0.000) 0.160 11.863 ( 0.000 4.102 -0.000) 4.102 11.981 ( 0.000 -1.234 0.000) 1.234 12.746 ( 0.000 1.121 -0.000) 1.121 12.848 ( 0.000 -1.780 0.000) 1.780 13.030 ( 0.000 2.945 0.000) 2.945 13.102 ( 0.000 1.240 -0.000) 1.240 13.961 ( 0.000 2.575 0.000) 2.575 14.292 ( 0.000 1.640 0.000) 1.640 14.307 ( 0.000 -3.696 -0.000) 3.696 14.444 ( 0.000 -2.850 0.000) 2.850 14.854 ( 0.000 6.503 0.000) 6.503 14.933 ( 0.000 1.115 0.000) 1.115 15.007 ( 0.000 -0.554 0.000) 0.554 15.301 ( 0.000 -4.550 0.000) 4.550 16.565 ( 0.000 0.007 -0.000) 0.007 16.566 ( 0.000 0.088 -0.000) 0.088 16.675 ( 0.000 0.567 -0.000) 0.567 16.704 ( -0.000 -0.135 -0.000) 0.135 16.706 ( 0.000 3.356 0.000) 3.356 16.810 ( 0.000 6.413 -0.000) 6.413 17.087 ( 0.000 -4.265 0.000) 4.265 17.325 ( 0.000 -5.051 -0.000) 5.051 22.907 ( 0.000 -2.666 -0.000) 2.666 22.987 ( 0.000 -2.853 -0.000) 2.853 23.301 ( 0.000 5.872 -0.000) 5.872 23.409 ( 0.000 4.906 0.000) 4.906 23.473 ( 0.000 3.613 0.000) 3.613 23.526 ( 0.000 -3.019 -0.000) 3.019 23.552 ( 0.000 -0.650 0.000) 0.650 23.752 ( 0.000 -1.166 -0.000) 1.166 23.794 ( 0.000 6.730 0.000) 6.730 23.861 ( 0.000 -2.507 -0.000) 2.507 24.281 ( 0.000 -4.310 -0.000) 4.310 24.324 ( 0.000 7.491 0.000) 7.491 24.466 ( 0.000 1.308 0.000) 1.308 24.663 ( 0.000 -8.274 -0.000) 8.274 24.840 ( 0.000 -3.007 0.000) 3.007 25.097 ( 0.000 5.163 0.000) 5.163 25.636 ( 0.000 -1.728 -0.000) 1.728 25.660 ( -0.000 -4.623 0.000) 4.623 25.880 ( 0.000 1.729 0.000) 1.729 25.920 ( 0.000 -1.234 -0.000) 1.234 26.251 ( 0.000 -9.067 -0.000) 9.067 26.728 ( 0.000 -9.720 0.000) 9.720 26.986 ( 0.000 13.629 -0.000) 13.629 27.268 ( 0.000 2.530 0.000) 2.530 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 17.645 0.000) 17.645 1.084 ( 0.000 -14.358 0.000) 14.358 1.195 ( 0.000 24.792 0.000) 24.792 1.612 ( 0.000 -12.380 0.000) 12.380 1.900 ( 0.000 2.899 0.000) 2.899 1.957 ( 0.000 18.037 0.000) 18.037 2.004 ( 0.000 -4.416 0.000) 4.416 2.295 ( 0.000 -10.555 0.000) 10.555 2.338 ( 0.000 13.235 0.000) 13.235 2.380 ( 0.000 -0.009 0.000) 0.009 2.432 ( 0.000 -5.222 0.000) 5.222 2.605 ( 0.000 -9.820 0.000) 9.820 2.661 ( 0.000 8.526 0.000) 8.526 2.867 ( 0.000 6.912 0.000) 6.912 2.880 ( 0.000 -8.727 0.000) 8.727 2.977 ( 0.000 -3.473 0.000) 3.473 2.997 ( 0.000 5.801 0.000) 5.801 3.023 ( 0.000 5.479 0.000) 5.479 3.125 ( 0.000 -0.024 0.000) 0.024 3.171 ( 0.000 -9.458 0.000) 9.458 3.311 ( 0.000 0.508 0.000) 0.508 3.324 ( 0.000 0.657 0.000) 0.657 3.382 ( 0.000 -0.354 0.000) 0.354 3.394 ( 0.000 -1.050 0.000) 1.050 3.557 ( 0.000 4.819 0.000) 4.819 3.634 ( 0.000 -2.396 0.000) 2.396 3.648 ( 0.000 1.917 0.000) 1.917 3.712 ( 0.000 -0.331 0.000) 0.331 3.740 ( 0.000 -2.443 0.000) 2.443 3.834 ( 0.000 -9.790 0.000) 9.790 3.938 ( 0.000 3.352 0.000) 3.352 3.944 ( 0.000 0.468 0.000) 0.468 4.070 ( 0.000 5.629 0.000) 5.629 4.135 ( 0.000 -3.629 0.000) 3.629 4.156 ( 0.000 5.325 0.000) 5.325 4.206 ( 0.000 0.002 0.000) 0.002 4.255 ( 0.000 4.746 0.000) 4.746 4.313 ( 0.000 -4.480 0.000) 4.480 4.337 ( 0.000 0.034 0.000) 0.034 4.378 ( 0.000 -0.545 0.000) 0.545 4.486 ( 0.000 0.469 0.000) 0.469 4.612 ( 0.000 -10.003 0.000) 10.003 4.626 ( 0.000 1.726 0.000) 1.726 4.673 ( 0.000 0.803 0.000) 0.803 4.847 ( 0.000 1.242 0.000) 1.242 4.847 ( 0.000 -0.236 0.000) 0.236 4.905 ( 0.000 2.270 0.000) 2.270 5.049 ( 0.000 -11.042 0.000) 11.042 5.088 ( 0.000 4.989 0.000) 4.989 5.162 ( 0.000 -2.202 0.000) 2.202 5.208 ( 0.000 6.155 0.000) 6.155 5.297 ( 0.000 -0.284 0.000) 0.284 5.316 ( 0.000 -2.942 0.000) 2.942 5.327 ( 0.000 -1.873 0.000) 1.873 5.476 ( 0.000 3.183 0.000) 3.183 5.511 ( 0.000 4.443 0.000) 4.443 5.564 ( 0.000 -3.173 0.000) 3.173 5.589 ( 0.000 -0.824 0.000) 0.824 5.684 ( 0.000 3.271 0.000) 3.271 5.692 ( 0.000 5.506 0.000) 5.506 5.770 ( 0.000 -2.604 0.000) 2.604 5.775 ( 0.000 -4.289 0.000) 4.289 5.899 ( 0.000 -2.201 0.000) 2.201 5.945 ( 0.000 -6.282 0.000) 6.282 6.048 ( 0.000 3.443 0.000) 3.443 6.123 ( 0.000 -2.742 0.000) 2.742 6.301 ( 0.000 5.063 0.000) 5.063 6.325 ( 0.000 1.924 0.000) 1.924 6.391 ( 0.000 4.894 0.000) 4.894 6.427 ( 0.000 -0.578 0.000) 0.578 6.496 ( 0.000 2.065 0.000) 2.065 6.531 ( 0.000 -0.068 0.000) 0.068 6.585 ( 0.000 1.113 0.000) 1.113 6.641 ( 0.000 -1.909 0.000) 1.909 6.675 ( 0.000 6.409 0.000) 6.409 6.807 ( 0.000 -1.864 0.000) 1.864 6.860 ( 0.000 1.156 0.000) 1.156 6.905 ( 0.000 -2.007 0.000) 2.007 6.950 ( 0.000 -4.742 0.000) 4.742 6.965 ( 0.000 -1.235 0.000) 1.235 7.243 ( 0.000 4.037 0.000) 4.037 7.312 ( 0.000 -3.490 0.000) 3.490 7.342 ( 0.000 5.107 0.000) 5.107 7.487 ( 0.000 -8.280 0.000) 8.280 7.490 ( 0.000 6.877 0.000) 6.877 7.658 ( 0.000 -7.848 0.000) 7.848 7.709 ( 0.000 -2.237 0.000) 2.237 7.713 ( 0.000 -3.063 0.000) 3.063 8.133 ( 0.000 1.933 0.000) 1.933 8.171 ( 0.000 -1.767 0.000) 1.767 8.341 ( 0.000 4.529 0.000) 4.529 8.405 ( 0.000 -0.740 0.000) 0.740 8.462 ( 0.000 0.119 0.000) 0.119 8.471 ( 0.000 -1.726 0.000) 1.726 8.766 ( 0.000 7.159 0.000) 7.159 8.816 ( 0.000 1.977 0.000) 1.977 8.844 ( 0.000 -1.317 0.000) 1.317 8.896 ( 0.000 -4.594 0.000) 4.594 9.074 ( 0.000 5.838 0.000) 5.838 9.198 ( 0.000 -5.577 0.000) 5.577 10.025 ( 0.000 2.940 0.000) 2.940 10.085 ( 0.000 -2.741 0.000) 2.741 10.310 ( 0.000 2.775 0.000) 2.775 10.340 ( 0.000 2.010 0.000) 2.010 10.413 ( 0.000 -1.176 0.000) 1.176 10.445 ( 0.000 -3.360 0.000) 3.360 10.752 ( 0.000 -1.238 0.000) 1.238 10.815 ( 0.000 -4.858 0.000) 4.858 10.918 ( 0.000 6.703 0.000) 6.703 11.068 ( 0.000 -5.296 0.000) 5.296 11.091 ( 0.000 -0.410 0.000) 0.410 11.123 ( 0.000 -3.940 0.000) 3.940 11.380 ( 0.000 2.082 0.000) 2.082 11.407 ( 0.000 -0.533 0.000) 0.533 11.498 ( 0.000 1.997 0.000) 1.997 11.502 ( 0.000 1.871 0.000) 1.871 11.605 ( 0.000 1.038 0.000) 1.038 11.628 ( 0.000 3.657 0.000) 3.657 11.652 ( 0.000 -1.777 0.000) 1.777 11.712 ( 0.000 -2.682 0.000) 2.682 11.791 ( 0.000 0.917 0.000) 0.917 11.805 ( 0.000 -0.663 0.000) 0.663 12.021 ( 0.000 0.168 0.000) 0.168 12.023 ( 0.000 -0.054 0.000) 0.054 12.666 ( 0.000 2.315 0.000) 2.315 12.715 ( 0.000 -2.107 0.000) 2.107 13.253 ( 0.000 1.213 0.000) 1.213 13.263 ( 0.000 0.016 0.000) 0.016 14.045 ( 0.000 4.796 0.000) 4.796 14.069 ( 0.000 4.143 0.000) 4.143 14.150 ( 0.000 -3.978 0.000) 3.978 14.152 ( 0.000 -4.498 0.000) 4.498 14.854 ( 0.000 1.673 0.000) 1.673 14.889 ( 0.000 -1.464 0.000) 1.464 15.049 ( 0.000 3.313 0.000) 3.313 15.134 ( 0.000 -4.706 0.000) 4.706 16.539 ( 0.000 0.074 0.000) 0.074 16.541 ( 0.000 -0.135 0.000) 0.135 16.625 ( 0.000 0.801 0.000) 0.801 16.641 ( 0.000 -0.708 0.000) 0.708 16.829 ( 0.000 6.358 0.000) 6.358 16.953 ( 0.000 -5.240 0.000) 5.240 16.998 ( 0.000 9.719 0.000) 9.719 17.199 ( 0.000 -8.847 0.000) 8.847 23.011 ( 0.000 5.749 0.000) 5.749 23.055 ( 0.000 1.255 0.000) 1.255 23.073 ( 0.000 -0.259 0.000) 0.259 23.143 ( 0.000 -6.445 0.000) 6.445 23.589 ( 0.000 4.845 0.000) 4.845 23.676 ( 0.000 -2.569 0.000) 2.569 23.943 ( 0.000 1.667 0.000) 1.667 24.040 ( 0.000 -6.523 0.000) 6.523 24.147 ( 0.000 3.295 0.000) 3.295 24.214 ( 0.000 -3.012 0.000) 3.012 24.452 ( 0.000 6.206 0.000) 6.206 24.502 ( 0.000 0.629 0.000) 0.629 24.570 ( 0.000 4.828 0.000) 4.828 24.703 ( 0.000 -6.867 0.000) 6.867 24.990 ( 0.000 -1.712 0.000) 1.712 24.992 ( 0.000 -1.632 0.000) 1.632 25.202 ( 0.000 0.780 0.000) 0.780 25.231 ( 0.000 -2.009 0.000) 2.009 25.728 ( 0.000 4.474 0.000) 4.474 25.803 ( 0.000 -2.507 0.000) 2.507 26.054 ( 0.000 7.910 0.000) 7.910 26.255 ( 0.000 -11.137 0.000) 11.137 27.377 ( 0.000 8.902 0.000) 8.902 27.536 ( 0.000 -6.295 0.000) 6.295 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 24.876 7.823 -17.273) 31.279 1.090 ( 6.189 8.395 -13.725) 17.238 1.412 ( 16.141 3.871 -1.276) 16.648 1.660 ( 5.086 -9.835 -0.796) 11.101 1.906 ( 0.836 2.520 -0.666) 2.737 2.002 ( 0.018 -4.938 2.324) 5.458 2.069 ( 9.150 15.306 3.877) 18.249 2.263 ( -3.843 4.115 -0.274) 5.637 2.293 ( -2.219 -5.978 -2.992) 7.043 2.364 ( -0.010 1.639 -2.148) 2.702 2.516 ( 4.887 -0.089 3.143) 5.811 2.617 ( 0.459 2.443 -1.949) 3.158 2.696 ( 5.525 -3.867 5.171) 8.498 2.809 ( -4.972 -4.093 11.494) 13.175 2.851 ( -2.774 3.611 1.592) 4.824 2.937 ( -3.462 -2.650 -5.682) 7.162 2.988 ( 1.684 4.394 -1.384) 4.904 3.099 ( 2.879 -2.164 0.981) 3.733 3.145 ( 3.825 1.267 1.593) 4.333 3.225 ( 4.351 -2.768 -0.926) 5.240 3.279 ( 0.540 6.131 1.093) 6.251 3.385 ( 1.293 1.929 1.080) 2.561 3.397 ( -0.025 1.021 -1.672) 1.960 3.446 ( 1.150 -5.793 3.221) 6.727 3.559 ( 2.157 0.812 -5.719) 6.166 3.639 ( 0.868 5.958 -3.331) 6.881 3.665 ( 0.119 -5.938 -2.991) 6.650 3.719 ( 0.907 0.261 -4.299) 4.401 3.743 ( 3.408 -1.239 -0.700) 3.694 3.815 ( -1.121 -5.537 -1.797) 5.928 3.888 ( -1.682 2.161 0.686) 2.823 3.943 ( -0.231 -1.979 0.897) 2.185 4.081 ( 1.771 4.338 1.165) 4.828 4.095 ( -2.468 -0.105 1.297) 2.790 4.116 ( -4.907 3.369 -3.665) 6.990 4.171 ( -3.436 -0.249 2.994) 4.564 4.243 ( -1.350 -1.706 3.229) 3.893 4.314 ( 0.472 -4.042 -1.294) 4.270 4.367 ( 3.082 2.760 0.961) 4.247 4.421 ( 2.114 0.046 2.452) 3.238 4.547 ( 4.132 -0.669 -3.901) 5.721 4.583 ( -2.340 4.196 2.816) 5.569 4.631 ( -0.381 -6.289 -0.124) 6.301 4.673 ( 0.942 -1.186 2.599) 3.008 4.836 ( 1.795 2.370 -2.391) 3.815 4.879 ( 0.759 0.923 -0.058) 1.196 4.928 ( 2.333 0.085 0.782) 2.462 5.040 ( -1.609 -4.485 -0.780) 4.828 5.078 ( -0.827 1.648 5.402) 5.708 5.157 ( -0.172 -6.226 -0.901) 6.293 5.201 ( -1.126 4.947 1.470) 5.282 5.281 ( -1.207 1.571 0.862) 2.161 5.317 ( -0.726 -3.386 2.415) 4.222 5.352 ( 1.165 -2.817 0.054) 3.049 5.469 ( -0.217 1.736 5.263) 5.546 5.475 ( -1.719 3.413 2.497) 4.565 5.540 ( -2.255 -0.671 -1.163) 2.624 5.576 ( -1.079 -1.631 0.126) 1.960 5.663 ( -1.437 1.801 5.399) 5.870 5.701 ( -0.691 1.582 -1.664) 2.398 5.778 ( 2.054 -0.369 -2.693) 3.407 5.821 ( 3.799 -2.300 -7.598) 8.801 5.922 ( 1.739 -0.033 -4.664) 4.978 5.952 ( -0.660 -2.869 1.350) 3.239 5.967 ( -2.974 0.839 0.011) 3.090 6.041 ( -6.635 -3.430 3.519) 8.256 6.288 ( -2.043 2.566 0.739) 3.363 6.324 ( -0.352 3.162 2.305) 3.929 6.335 ( -3.861 2.697 0.867) 4.789 6.402 ( -3.523 -0.744 -1.367) 3.851 6.526 ( 0.208 1.268 -1.021) 1.641 6.547 ( -1.730 -0.376 2.088) 2.738 6.588 ( -2.499 4.604 0.262) 5.246 6.661 ( 1.171 1.440 2.357) 3.000 6.665 ( 2.039 3.484 0.707) 4.098 6.751 ( -2.796 0.204 -0.939) 2.957 6.812 ( -2.304 0.661 -8.077) 8.426 6.917 ( -0.867 -9.242 -0.337) 9.289 6.991 ( 4.077 1.147 1.477) 4.485 7.015 ( 3.535 -1.776 2.764) 4.826 7.207 ( -3.325 6.236 -3.449) 7.864 7.313 ( -1.598 -1.254 -2.092) 2.915 7.339 ( 0.579 -0.298 3.043) 3.112 7.448 ( -2.212 -4.463 -0.656) 5.024 7.485 ( -0.410 3.372 5.542) 6.500 7.643 ( 0.014 -8.233 5.422) 9.858 7.780 ( 5.627 -1.340 -0.475) 5.804 7.790 ( 4.911 -2.684 -3.235) 6.464 8.121 ( -0.311 3.259 -1.560) 3.626 8.187 ( 1.382 -3.319 -2.134) 4.181 8.316 ( -2.052 4.735 -1.840) 5.479 8.394 ( -1.443 -1.669 -0.101) 2.209 8.444 ( -1.280 0.441 -2.286) 2.657 8.457 ( -1.393 -1.439 0.586) 2.087 8.747 ( -2.139 5.805 4.019) 7.377 8.793 ( -2.463 1.116 2.067) 3.404 8.843 ( -0.001 -0.055 -0.953) 0.955 8.891 ( -0.090 -3.170 -1.152) 3.374 9.073 ( -0.331 4.727 1.665) 5.023 9.186 ( -1.175 -5.460 0.354) 5.596 10.030 ( 0.807 4.256 -1.820) 4.699 10.118 ( 2.951 -4.069 -3.129) 5.921 10.294 ( -0.937 4.088 3.272) 5.320 10.365 ( 1.481 -1.322 -4.025) 4.488 10.435 ( 2.411 0.269 -1.890) 3.076 10.466 ( 1.985 -2.754 -0.524) 3.435 10.744 ( -0.591 -0.228 -2.705) 2.779 10.807 ( -0.632 -3.505 -1.955) 4.063 10.909 ( -0.113 5.020 0.320) 5.031 11.040 ( -1.812 -3.549 0.642) 4.036 11.111 ( -0.019 -3.000 -0.882) 3.127 11.121 ( 0.813 -2.047 0.650) 2.297 11.372 ( -1.446 2.075 1.171) 2.787 11.412 ( 0.015 -1.201 0.505) 1.303 11.450 ( -2.329 3.506 -0.042) 4.210 11.502 ( -1.607 -0.996 0.945) 2.114 11.585 ( -0.902 2.212 2.686) 3.594 11.609 ( -2.715 0.155 -0.670) 2.801 11.666 ( 2.188 1.562 -0.533) 2.740 11.708 ( -0.196 -1.686 -1.691) 2.395 11.797 ( -0.019 0.892 1.187) 1.485 11.811 ( 0.184 -0.557 0.745) 0.949 12.004 ( -1.468 0.288 1.412) 2.057 12.012 ( -1.388 -0.277 1.038) 1.755 12.710 ( 3.470 1.232 -3.503) 5.082 12.745 ( 2.834 -1.741 -2.835) 4.371 13.206 ( -3.410 3.457 0.492) 4.881 13.261 ( -1.583 -1.751 2.900) 3.739 14.048 ( 0.345 4.789 -1.205) 4.950 14.108 ( 3.171 1.601 1.049) 3.704 14.176 ( 2.812 -3.745 0.458) 4.706 14.194 ( 3.866 -3.063 1.159) 5.067 14.873 ( 1.815 1.344 0.580) 2.332 14.899 ( 1.018 -0.919 0.357) 1.417 15.038 ( -0.913 4.873 0.214) 4.962 15.149 ( 1.256 -5.936 -0.831) 6.124 16.543 ( 0.409 0.055 0.104) 0.426 16.545 ( 0.437 -0.172 -0.087) 0.478 16.633 ( 0.884 0.733 -0.123) 1.155 16.648 ( 0.739 -0.611 -0.079) 0.962 16.826 ( -0.239 6.481 -0.828) 6.538 16.953 ( -0.065 -4.585 0.245) 4.592 16.998 ( -0.026 8.725 -0.226) 8.728 17.196 ( -0.319 -8.834 0.379) 8.847 22.991 ( -1.717 2.838 -1.280) 3.556 23.026 ( -3.286 -0.109 0.803) 3.384 23.106 ( 4.218 1.986 -0.646) 4.707 23.186 ( 4.095 -5.006 -2.460) 6.920 23.571 ( -1.496 5.174 -0.927) 5.465 23.665 ( -1.142 -3.093 -2.063) 3.889 23.880 ( -6.403 1.795 1.824) 6.896 23.954 ( -8.255 -3.006 3.510) 9.461 24.115 ( -3.274 2.447 -0.688) 4.145 24.152 ( -5.520 -1.408 -4.138) 7.041 24.302 ( -7.301 5.388 -1.215) 9.155 24.406 ( -5.198 -3.711 -1.464) 6.553 24.652 ( 3.380 7.267 -4.674) 9.278 24.787 ( 4.280 -4.564 -0.483) 6.276 24.855 ( -6.447 5.948 -1.751) 8.945 25.037 ( 0.668 -10.595 1.061) 10.669 25.305 ( 8.143 1.337 -0.520) 8.268 25.349 ( 8.710 -2.286 -1.886) 9.200 25.721 ( -0.353 4.414 3.247) 5.491 25.829 ( 1.976 -6.373 6.215) 9.118 26.098 ( 3.897 9.434 1.107) 10.267 26.323 ( 5.672 -11.950 1.430) 13.305 27.350 ( -2.587 8.234 -0.141) 8.632 27.483 ( -5.066 -4.231 3.415) 7.432 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 14.149 13.996 -10.732) 22.611 1.461 ( 21.040 -2.714 -17.314) 27.383 1.673 ( 9.583 6.647 -6.418) 13.312 1.821 ( 10.781 -3.021 -3.294) 11.671 1.930 ( 2.529 -1.051 -2.952) 4.027 2.008 ( 0.095 -8.105 2.401) 8.454 2.170 ( 0.950 1.108 4.968) 5.178 2.222 ( -1.852 -0.192 -4.376) 4.756 2.300 ( 6.416 2.887 5.455) 8.903 2.386 ( 2.489 -4.938 0.061) 5.531 2.515 ( -4.960 3.749 3.814) 7.295 2.683 ( -1.282 -6.720 4.943) 8.440 2.761 ( 4.703 6.147 -1.009) 7.805 2.821 ( 3.113 3.500 -0.452) 4.706 2.881 ( 8.553 0.296 7.749) 11.545 2.896 ( 0.952 -2.267 -6.131) 6.606 2.999 ( -1.185 3.184 -1.474) 3.703 3.088 ( -4.620 -5.537 -2.179) 7.533 3.204 ( 2.565 8.454 0.408) 8.844 3.287 ( -0.016 8.616 -4.837) 9.881 3.321 ( 0.769 4.029 3.841) 5.619 3.381 ( -0.174 -1.311 1.162) 1.761 3.409 ( -0.742 -0.370 -4.374) 4.452 3.432 ( 4.030 -1.088 2.762) 5.005 3.540 ( -1.911 -2.900 -3.851) 5.186 3.614 ( -1.426 -6.375 0.359) 6.543 3.681 ( 0.858 2.915 2.116) 3.703 3.802 ( 0.158 -0.912 -1.014) 1.373 3.818 ( 7.033 -0.448 2.346) 7.427 3.872 ( 0.258 0.548 3.852) 3.899 3.906 ( 3.241 0.959 -1.085) 3.550 3.922 ( -0.346 -0.318 -2.814) 2.853 3.995 ( -1.501 0.950 -6.352) 6.596 4.014 ( -5.262 2.275 1.461) 5.915 4.137 ( 1.036 -1.673 5.016) 5.388 4.167 ( 3.872 2.125 4.674) 6.431 4.247 ( 3.873 -4.724 -0.365) 6.120 4.338 ( 1.453 -3.230 3.383) 4.898 4.408 ( -0.868 -0.831 3.259) 3.474 4.446 ( 1.393 0.359 -2.598) 2.969 4.533 ( -1.369 0.556 2.015) 2.499 4.614 ( 4.145 2.157 -4.897) 6.768 4.640 ( -0.410 -2.396 -2.297) 3.344 4.736 ( 6.497 0.739 0.117) 6.540 4.831 ( -1.447 0.910 -1.174) 2.074 4.870 ( -3.475 -2.172 -1.804) 4.477 4.993 ( 3.648 3.183 0.849) 4.915 5.014 ( 0.739 2.373 2.532) 3.548 5.079 ( -1.004 -0.492 1.149) 1.604 5.111 ( -3.678 -2.106 -0.431) 4.260 5.202 ( -1.678 -1.567 4.961) 5.466 5.251 ( -1.814 -6.017 3.701) 7.294 5.268 ( -2.622 4.040 5.867) 7.590 5.350 ( -1.203 -3.285 -0.198) 3.504 5.478 ( 0.748 2.215 -1.381) 2.715 5.502 ( 2.717 -0.140 0.262) 2.733 5.517 ( 0.218 2.107 1.568) 2.635 5.580 ( 1.809 -1.612 -0.387) 2.454 5.644 ( -0.919 -1.188 0.755) 1.681 5.698 ( 0.824 -3.906 1.504) 4.266 5.804 ( 0.850 1.803 1.048) 2.252 5.852 ( 0.204 -1.508 -6.286) 6.467 5.883 ( -3.970 1.579 1.351) 4.481 5.931 ( -1.583 0.957 2.874) 3.417 5.971 ( 1.595 -1.868 -3.443) 4.230 6.018 ( 2.892 -3.097 -1.950) 4.665 6.220 ( -4.834 5.185 2.188) 7.419 6.249 ( -4.233 3.514 -0.257) 5.508 6.308 ( -2.352 -2.252 1.601) 3.629 6.325 ( -3.869 -3.380 -3.917) 6.460 6.461 ( -4.103 5.142 -0.123) 6.580 6.475 ( -4.805 0.284 2.186) 5.287 6.517 ( -3.221 3.964 -3.236) 6.046 6.652 ( -2.368 -4.884 -0.064) 5.428 6.707 ( -0.381 1.711 -1.105) 2.072 6.714 ( -1.208 0.795 0.212) 1.462 6.802 ( 1.576 3.124 0.401) 3.522 6.880 ( -2.255 -3.131 4.663) 6.053 7.052 ( 1.813 1.213 -1.325) 2.553 7.095 ( 3.428 -2.939 1.372) 4.719 7.143 ( -1.813 7.597 -2.349) 8.156 7.276 ( -1.341 -3.166 -2.293) 4.133 7.340 ( -0.923 -1.340 2.672) 3.129 7.412 ( -1.854 -2.746 -0.603) 3.367 7.483 ( -1.170 1.724 4.160) 4.653 7.624 ( -3.788 -7.621 1.065) 8.577 7.879 ( 5.113 -0.321 -0.679) 5.168 7.890 ( 5.871 -1.595 -0.925) 6.154 8.130 ( 0.891 3.256 -0.765) 3.461 8.209 ( 0.845 -3.566 -2.802) 4.613 8.283 ( -0.494 2.794 -0.313) 2.854 8.350 ( -2.298 -2.535 -0.191) 3.427 8.420 ( -0.623 1.511 -3.498) 3.861 8.438 ( -0.212 -0.258 -2.255) 2.280 8.697 ( -3.495 3.226 5.678) 7.408 8.734 ( -3.908 -0.127 2.821) 4.822 8.849 ( 0.901 2.239 -1.120) 2.660 8.899 ( 1.220 -1.611 -1.998) 2.841 9.061 ( -1.287 3.014 2.568) 4.163 9.157 ( -1.953 -5.340 0.596) 5.717 10.052 ( 1.773 5.937 -2.744) 6.776 10.169 ( 2.458 -4.504 -3.235) 6.065 10.288 ( -0.013 3.715 2.222) 4.329 10.377 ( 0.524 -3.974 -2.987) 4.999 10.481 ( 2.036 1.218 -1.406) 2.758 10.504 ( 1.541 -1.781 0.368) 2.384 10.734 ( 0.360 1.602 -4.134) 4.448 10.796 ( -0.258 -2.951 -1.692) 3.412 10.925 ( 1.611 2.614 -0.632) 3.135 11.013 ( -0.814 -2.049 0.507) 2.262 11.099 ( -0.813 0.295 1.145) 1.435 11.144 ( 1.341 -4.275 -0.965) 4.583 11.323 ( -3.311 2.377 2.610) 4.840 11.386 ( -3.415 -3.154 3.146) 5.614 11.429 ( 0.151 1.732 -1.650) 2.397 11.461 ( -2.222 -1.169 2.090) 3.267 11.576 ( 0.322 2.031 -1.651) 2.637 11.590 ( 0.260 0.976 -0.457) 1.108 11.685 ( 0.056 2.305 0.367) 2.335 11.720 ( 1.413 -0.703 -1.632) 2.270 11.783 ( -1.517 1.255 1.104) 2.257 11.806 ( -0.790 -0.829 0.886) 1.448 11.977 ( -1.538 0.128 2.902) 3.287 11.979 ( -1.889 0.204 1.102) 2.196 12.757 ( 1.747 1.419 -2.902) 3.673 12.791 ( 1.936 -1.678 -3.625) 4.439 13.142 ( -2.999 4.386 0.995) 5.406 13.213 ( -3.462 -2.300 3.062) 5.163 14.053 ( 0.208 5.208 -1.252) 5.360 14.159 ( 1.938 -3.599 -0.421) 4.110 14.250 ( 3.934 -0.337 2.103) 4.473 14.282 ( 4.616 -2.305 0.970) 5.250 14.915 ( 2.117 0.838 0.704) 2.383 14.928 ( 2.000 0.002 0.664) 2.108 15.023 ( -0.570 6.663 -0.187) 6.690 15.168 ( 0.688 -7.034 -0.848) 7.118 16.553 ( 0.514 0.068 0.264) 0.581 16.555 ( 0.504 -0.170 -0.042) 0.534 16.656 ( 1.332 0.647 -0.143) 1.488 16.668 ( 1.234 -0.470 -0.083) 1.323 16.820 ( -0.163 6.580 -1.113) 6.676 16.953 ( 0.124 -3.790 0.679) 3.852 16.995 ( -0.212 7.194 -0.680) 7.229 17.188 ( -0.464 -8.783 0.515) 8.810 22.945 ( -2.911 0.915 0.479) 3.089 22.966 ( -2.603 -1.345 1.499) 3.291 23.212 ( 6.756 2.991 -3.883) 8.347 23.283 ( 6.172 -3.479 -4.987) 8.664 23.542 ( -1.112 4.712 -3.136) 5.769 23.630 ( -1.844 -3.517 -2.326) 4.602 23.739 ( -7.442 2.681 2.988) 8.456 23.799 ( -7.109 -0.412 2.848) 7.670 24.007 ( -7.229 1.871 -2.100) 7.757 24.040 ( -5.319 0.064 -0.397) 5.334 24.236 ( -0.829 3.214 2.137) 3.947 24.343 ( -1.527 -5.158 1.334) 5.542 24.660 ( -1.152 6.125 -6.948) 9.334 24.715 ( -7.193 4.405 -1.360) 8.543 24.854 ( 1.799 0.552 -1.264) 2.267 25.039 ( -0.721 -12.189 2.273) 12.420 25.454 ( 7.292 1.882 -4.503) 8.775 25.505 ( 7.425 -2.562 -4.084) 8.853 25.737 ( 1.365 4.234 7.155) 8.425 25.873 ( 1.234 -9.223 8.308) 12.474 26.183 ( 4.436 10.599 0.189) 11.491 26.425 ( 4.308 -12.372 -0.720) 13.120 27.288 ( -3.551 7.261 -0.126) 8.084 27.383 ( -5.159 -1.774 4.487) 7.064 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 12.760 14.043 -5.753) 19.827 1.669 ( 3.082 8.576 -5.374) 10.580 1.804 ( 6.015 -5.462 -7.936) 11.357 1.951 ( 0.803 -9.782 0.666) 9.837 1.972 ( 1.500 -1.929 -4.605) 5.213 2.030 ( 3.645 -1.238 -1.128) 4.011 2.175 ( 0.203 -0.204 2.512) 2.529 2.305 ( 4.602 -6.021 0.809) 7.622 2.402 ( -3.650 4.349 1.043) 5.773 2.440 ( 6.398 3.467 5.184) 8.935 2.501 ( 9.565 -4.309 1.483) 10.595 2.641 ( -0.862 -7.236 2.052) 7.570 2.814 ( 3.126 5.430 -4.178) 7.531 2.840 ( -1.551 -0.076 -8.637) 8.776 2.924 ( -7.890 -3.420 -0.813) 8.637 2.940 ( 1.125 -1.999 -1.494) 2.737 3.022 ( 4.495 4.531 -1.229) 6.500 3.061 ( 4.718 1.322 4.065) 6.366 3.248 ( -3.534 8.887 -4.755) 10.680 3.261 ( 1.199 5.213 2.095) 5.744 3.303 ( 1.291 2.124 1.486) 2.896 3.361 ( -1.941 0.481 -0.364) 2.032 3.394 ( 0.463 2.615 -1.864) 3.245 3.464 ( -6.827 -4.400 5.439) 9.775 3.575 ( 3.888 2.521 -0.069) 4.634 3.621 ( 2.572 -0.107 2.770) 3.781 3.681 ( -8.583 -0.304 0.388) 8.598 3.723 ( -0.601 -4.710 4.342) 6.434 3.756 ( -4.015 5.184 -0.627) 6.587 3.852 ( -2.804 -4.848 -5.298) 7.710 3.922 ( 3.118 1.243 -1.348) 3.617 3.933 ( 1.767 1.921 -1.220) 2.881 4.084 ( 8.079 2.689 3.449) 9.187 4.131 ( 6.810 -1.209 11.007) 12.999 4.177 ( 2.807 1.490 2.932) 4.324 4.265 ( 3.857 -2.690 -0.959) 4.799 4.332 ( -0.856 -1.457 0.185) 1.700 4.358 ( 4.552 -3.024 -0.545) 5.492 4.409 ( 3.350 1.185 0.438) 3.581 4.468 ( 2.141 -4.410 -0.095) 4.903 4.555 ( 2.139 0.004 -0.075) 2.141 4.624 ( 0.032 -1.318 -3.233) 3.492 4.678 ( 0.843 3.189 -2.726) 4.279 4.744 ( -1.636 4.571 -1.209) 5.003 4.798 ( -2.860 0.776 -1.638) 3.386 4.950 ( 9.375 -2.501 -0.899) 9.745 4.969 ( -3.684 -0.757 -0.775) 3.840 5.016 ( -5.764 0.624 3.769) 6.915 5.084 ( 1.987 2.852 -2.619) 4.352 5.110 ( 6.024 -3.460 0.049) 6.948 5.149 ( -4.937 1.043 7.338) 8.905 5.178 ( -1.937 -0.660 4.842) 5.257 5.281 ( 0.671 -0.319 1.202) 1.413 5.321 ( -1.457 -2.771 0.548) 3.179 5.441 ( -4.883 2.250 -3.062) 6.188 5.464 ( -4.108 0.055 -0.839) 4.193 5.573 ( 2.811 3.612 -1.291) 4.756 5.641 ( 3.208 -1.104 2.175) 4.030 5.666 ( 3.437 -3.504 -3.723) 6.161 5.716 ( 1.130 -3.754 -1.503) 4.199 5.810 ( -3.968 1.782 0.727) 4.410 5.830 ( -3.235 0.307 5.489) 6.379 5.840 ( 0.788 -0.246 2.337) 2.479 5.889 ( 0.184 -1.095 -0.497) 1.217 5.977 ( -1.110 -0.812 -3.818) 4.058 6.043 ( -2.030 -4.133 0.378) 4.621 6.162 ( -1.319 2.762 -3.647) 4.761 6.196 ( 0.509 0.919 1.181) 1.581 6.243 ( -3.030 -0.238 3.506) 4.640 6.274 ( 0.022 -3.296 -2.678) 4.247 6.396 ( -2.200 4.509 -1.054) 5.126 6.444 ( -3.155 4.073 -2.186) 5.596 6.459 ( 1.298 -0.741 -2.634) 3.029 6.592 ( -3.087 -6.267 0.635) 7.015 6.674 ( -1.875 2.135 3.437) 4.460 6.692 ( -1.519 0.948 -0.656) 1.907 6.824 ( -0.189 2.004 3.228) 3.804 6.860 ( -0.576 -0.836 3.251) 3.406 7.079 ( 1.936 2.387 -3.911) 4.975 7.105 ( -0.805 3.218 0.850) 3.424 7.159 ( 2.142 1.069 -0.208) 2.403 7.254 ( -1.225 -3.867 -0.066) 4.057 7.318 ( -1.660 0.691 3.084) 3.570 7.358 ( -3.306 1.674 -2.393) 4.412 7.459 ( -1.388 -4.527 3.925) 6.150 7.517 ( -5.713 -5.287 -3.933) 8.721 7.968 ( 3.710 0.466 -0.235) 3.746 7.991 ( 3.832 -1.898 -2.350) 4.879 8.133 ( -0.033 2.530 1.727) 3.063 8.205 ( -0.800 -3.439 -0.017) 3.531 8.289 ( 0.653 2.488 0.033) 2.573 8.349 ( 1.964 -2.805 -1.176) 3.621 8.415 ( 0.445 2.657 -2.899) 3.957 8.440 ( 0.584 0.413 -3.213) 3.291 8.637 ( -3.093 1.166 5.079) 6.060 8.658 ( -3.921 -0.527 2.021) 4.443 8.872 ( 1.380 3.499 -0.895) 3.866 8.931 ( 2.309 -1.246 -2.888) 3.902 9.029 ( -2.336 1.979 3.065) 4.332 9.117 ( -2.015 -5.401 0.737) 5.812 10.084 ( 1.673 7.061 -2.196) 7.582 10.196 ( 0.616 -1.806 -1.770) 2.602 10.300 ( 0.779 1.014 1.326) 1.842 10.384 ( 0.573 -6.471 -2.495) 6.959 10.503 ( 0.490 1.227 0.079) 1.323 10.519 ( 0.015 -0.897 1.474) 1.726 10.749 ( 1.404 1.235 -3.442) 3.917 10.787 ( -0.617 -1.405 -0.275) 1.559 10.956 ( 1.268 2.177 -0.776) 2.636 11.018 ( 1.301 -0.878 -0.068) 1.571 11.084 ( -0.886 2.132 1.109) 2.561 11.172 ( 1.654 -6.329 -1.397) 6.689 11.270 ( -2.242 0.772 1.449) 2.779 11.306 ( -4.534 -3.125 2.894) 6.221 11.435 ( -0.552 0.720 1.105) 1.430 11.440 ( 0.770 0.311 -1.106) 1.383 11.589 ( 0.923 1.803 -3.390) 3.949 11.597 ( 0.251 0.861 1.163) 1.469 11.685 ( -0.078 3.114 0.229) 3.123 11.735 ( 0.004 -1.527 -0.350) 1.566 11.753 ( -1.301 2.076 0.819) 2.583 11.791 ( -0.599 -1.077 0.217) 1.251 11.946 ( -1.418 1.454 1.734) 2.670 11.960 ( -0.588 -0.509 1.454) 1.649 12.774 ( 0.432 1.647 -1.619) 2.349 12.809 ( 0.470 -1.617 -1.934) 2.564 13.100 ( -1.355 3.404 0.543) 3.704 13.150 ( -3.039 -1.259 1.851) 3.775 14.052 ( -0.099 5.734 -0.660) 5.773 14.185 ( 0.836 -6.103 -0.456) 6.176 14.313 ( 2.199 1.656 1.370) 3.074 14.357 ( 2.858 -2.430 0.568) 3.794 14.947 ( 1.201 1.422 0.362) 1.896 14.970 ( 1.828 -0.350 0.700) 1.988 15.016 ( -0.163 7.267 -0.370) 7.278 15.174 ( 0.103 -7.238 -0.519) 7.257 16.562 ( 0.372 0.051 0.207) 0.429 16.563 ( 0.334 -0.086 0.018) 0.346 16.679 ( 0.947 0.630 -0.072) 1.139 16.690 ( 0.922 -0.395 -0.001) 1.003 16.817 ( -0.086 6.667 -0.793) 6.714 16.959 ( 0.342 -4.348 0.954) 4.464 16.988 ( -0.371 7.061 -0.974) 7.138 17.181 ( -0.321 -8.724 0.353) 8.737 22.897 ( -1.846 0.435 0.571) 1.981 22.931 ( -1.340 -2.651 1.295) 3.240 23.336 ( 5.974 3.694 -4.578) 8.384 23.396 ( 5.883 -2.109 -5.439) 8.285 23.523 ( -0.445 4.109 -3.146) 5.194 23.606 ( -0.567 -2.741 -1.062) 2.994 23.626 ( -4.450 4.342 3.531) 7.150 23.701 ( -3.441 -1.148 2.678) 4.509 23.879 ( -5.163 1.728 -1.404) 5.622 23.937 ( -5.167 -1.435 2.104) 5.761 24.237 ( 0.156 2.952 2.065) 3.606 24.344 ( 1.054 -4.659 2.066) 5.204 24.586 ( -5.312 3.958 -1.145) 6.723 24.609 ( -3.042 1.602 -3.858) 5.168 24.855 ( -0.904 3.025 -2.118) 3.802 25.036 ( 0.332 -10.134 1.301) 10.222 25.561 ( 4.289 1.331 -4.414) 6.296 25.602 ( 2.699 -2.318 -2.252) 4.211 25.790 ( 3.090 2.316 6.092) 7.213 25.889 ( -0.571 -6.788 5.602) 8.819 26.255 ( 2.816 9.356 -0.455) 9.781 26.482 ( 1.956 -11.681 -1.969) 12.006 27.227 ( -2.476 7.020 0.288) 7.449 27.311 ( -2.719 -1.219 2.867) 4.135 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.000 9.644 -0.000) 9.644 1.686 ( 0.000 11.752 0.000) 11.752 1.906 ( 0.000 5.302 -0.000) 5.302 1.912 ( -0.000 -9.726 0.000) 9.726 1.970 ( 0.000 -9.280 0.000) 9.280 2.085 ( 0.000 -1.262 0.000) 1.262 2.184 ( 0.000 -3.245 0.000) 3.245 2.269 ( 0.000 -7.465 -0.000) 7.465 2.387 ( 0.000 2.705 -0.000) 2.705 2.563 ( 0.000 0.953 0.000) 0.953 2.636 ( 0.000 -8.268 0.000) 8.268 2.710 ( 0.000 -5.593 0.000) 5.593 2.722 ( -0.000 4.257 -0.000) 4.257 2.793 ( 0.000 6.173 0.000) 6.173 2.887 ( 0.000 0.047 0.000) 0.047 2.977 ( 0.000 -0.039 -0.000) 0.039 3.073 ( 0.000 4.715 -0.000) 4.715 3.172 ( 0.000 1.357 0.000) 1.357 3.191 ( 0.000 1.747 -0.000) 1.747 3.235 ( -0.000 1.895 -0.000) 1.895 3.274 ( 0.000 1.259 0.000) 1.259 3.336 ( 0.000 0.010 0.000) 0.010 3.359 ( 0.000 3.215 0.000) 3.215 3.438 ( 0.000 0.422 -0.000) 0.422 3.497 ( -0.000 8.776 0.000) 8.776 3.634 ( 0.000 -0.227 0.000) 0.227 3.676 ( 0.000 -0.835 -0.000) 0.835 3.694 ( 0.000 5.579 -0.000) 5.579 3.774 ( 0.000 -5.605 0.000) 5.605 3.827 ( 0.000 -9.244 -0.000) 9.244 3.942 ( 0.000 1.795 0.000) 1.795 3.974 ( 0.000 -1.643 -0.000) 1.643 4.141 ( 0.000 -1.478 0.000) 1.478 4.153 ( 0.000 -1.798 0.000) 1.798 4.259 ( 0.000 -0.710 -0.000) 0.710 4.278 ( 0.000 -0.607 0.000) 0.607 4.374 ( 0.000 5.739 -0.000) 5.739 4.443 ( 0.000 0.089 -0.000) 0.089 4.488 ( 0.000 1.058 -0.000) 1.058 4.505 ( 0.000 -0.372 0.000) 0.372 4.541 ( 0.000 -2.788 0.000) 2.788 4.580 ( 0.000 -6.315 0.000) 6.315 4.699 ( 0.000 3.409 0.000) 3.409 4.728 ( -0.000 2.313 -0.000) 2.313 4.786 ( 0.000 11.211 0.000) 11.211 4.923 ( 0.000 0.583 0.000) 0.583 4.946 ( 0.000 0.505 0.000) 0.505 5.004 ( 0.000 1.558 0.000) 1.558 5.067 ( 0.000 0.734 0.000) 0.734 5.130 ( 0.000 -8.689 0.000) 8.689 5.180 ( 0.000 0.732 0.000) 0.732 5.205 ( 0.000 -0.260 -0.000) 0.260 5.299 ( 0.000 -2.506 0.000) 2.506 5.332 ( 0.000 3.075 0.000) 3.075 5.355 ( 0.000 -4.095 0.000) 4.095 5.411 ( 0.000 -3.340 -0.000) 3.340 5.592 ( -0.000 5.469 0.000) 5.469 5.672 ( 0.000 4.344 0.000) 4.344 5.674 ( 0.000 0.264 -0.000) 0.264 5.728 ( -0.000 -3.260 0.000) 3.260 5.761 ( 0.000 2.747 0.000) 2.747 5.807 ( 0.000 -1.649 -0.000) 1.649 5.862 ( 0.000 -1.503 0.000) 1.503 5.914 ( 0.000 -4.056 -0.000) 4.056 5.955 ( 0.000 -4.069 0.000) 4.069 5.975 ( 0.000 -4.339 -0.000) 4.339 6.145 ( 0.000 0.928 -0.000) 0.928 6.187 ( 0.000 -2.535 -0.000) 2.535 6.268 ( -0.000 2.808 0.000) 2.808 6.309 ( 0.000 0.065 0.000) 0.065 6.349 ( 0.000 5.426 0.000) 5.426 6.405 ( 0.000 0.691 0.000) 0.691 6.480 ( 0.000 -0.360 0.000) 0.360 6.559 ( 0.000 -6.199 0.000) 6.199 6.664 ( -0.000 2.235 -0.000) 2.235 6.664 ( 0.000 1.715 0.000) 1.715 6.829 ( 0.000 0.940 0.000) 0.940 6.843 ( 0.000 -0.441 0.000) 0.441 7.099 ( 0.000 3.352 0.000) 3.352 7.111 ( 0.000 2.619 -0.000) 2.619 7.185 ( 0.000 0.473 0.000) 0.473 7.234 ( 0.000 -4.010 0.000) 4.010 7.291 ( 0.000 3.722 0.000) 3.722 7.320 ( 0.000 0.612 0.000) 0.612 7.435 ( 0.000 -3.131 -0.000) 3.131 7.463 ( 0.000 -7.213 0.000) 7.213 8.010 ( 0.000 -0.438 -0.000) 0.438 8.014 ( -0.000 -0.501 -0.000) 0.501 8.143 ( 0.000 1.348 0.000) 1.348 8.197 ( 0.000 -3.182 0.000) 3.182 8.297 ( 0.000 3.943 0.000) 3.943 8.373 ( 0.000 -3.045 -0.000) 3.045 8.420 ( 0.000 2.740 -0.000) 2.740 8.445 ( 0.000 0.434 0.000) 0.434 8.610 ( -0.000 -0.058 -0.000) 0.058 8.612 ( 0.000 -0.170 0.000) 0.170 8.887 ( 0.000 3.993 -0.000) 3.993 8.968 ( 0.000 -3.570 0.000) 3.570 8.992 ( 0.000 3.965 -0.000) 3.965 9.095 ( 0.000 -5.617 0.000) 5.617 10.101 ( 0.000 7.565 0.000) 7.565 10.198 ( 0.000 -0.358 -0.000) 0.358 10.310 ( 0.000 -0.063 0.000) 0.063 10.390 ( 0.000 -8.324 -0.000) 8.324 10.508 ( 0.000 0.802 -0.000) 0.802 10.517 ( 0.000 0.060 0.000) 0.060 10.768 ( 0.000 -0.994 -0.000) 0.994 10.774 ( 0.000 1.604 0.000) 1.604 10.967 ( 0.000 2.386 0.000) 2.386 11.040 ( 0.000 -1.279 0.000) 1.279 11.074 ( 0.000 3.208 0.000) 3.208 11.193 ( 0.000 -8.460 0.000) 8.460 11.248 ( -0.000 -0.700 0.000) 0.700 11.253 ( 0.000 -1.273 -0.000) 1.273 11.433 ( 0.000 1.527 -0.000) 1.527 11.448 ( 0.000 0.327 0.000) 0.327 11.595 ( -0.000 1.536 0.000) 1.536 11.600 ( 0.000 1.398 -0.000) 1.398 11.685 ( 0.000 2.246 0.000) 2.246 11.726 ( 0.000 -1.701 0.000) 1.701 11.745 ( 0.000 2.367 -0.000) 2.367 11.786 ( 0.000 -0.829 0.000) 0.829 11.933 ( 0.000 2.063 -0.000) 2.063 11.956 ( 0.000 -0.862 0.000) 0.862 12.776 ( 0.000 1.652 -0.000) 1.652 12.811 ( 0.000 -1.716 0.000) 1.716 13.090 ( 0.000 2.371 0.000) 2.371 13.118 ( 0.000 -0.152 -0.000) 0.152 14.050 ( 0.000 5.965 0.000) 5.965 14.192 ( 0.000 -6.860 0.000) 6.860 14.335 ( 0.000 2.309 0.000) 2.309 14.386 ( 0.000 -2.580 0.000) 2.580 14.960 ( 0.000 1.761 0.000) 1.761 14.990 ( 0.000 -1.119 0.000) 1.119 15.014 ( 0.000 7.782 0.000) 7.782 15.174 ( 0.000 -7.204 0.000) 7.204 16.566 ( 0.000 0.034 -0.000) 0.034 16.567 ( 0.000 -0.042 -0.000) 0.042 16.688 ( 0.000 0.636 -0.000) 0.636 16.699 ( 0.000 -0.393 -0.000) 0.393 16.815 ( 0.000 6.739 0.000) 6.739 16.965 ( 0.000 -6.995 -0.000) 6.995 16.982 ( 0.000 9.426 0.000) 9.426 17.178 ( 0.000 -8.699 0.000) 8.699 22.880 ( 0.000 0.327 -0.000) 0.327 22.918 ( 0.000 -3.071 -0.000) 3.071 23.398 ( 0.000 3.256 -0.000) 3.256 23.459 ( 0.000 -2.912 -0.000) 2.912 23.529 ( 0.000 5.692 0.000) 5.692 23.581 ( 0.000 5.670 -0.000) 5.670 23.582 ( 0.000 1.659 0.000) 1.659 23.679 ( 0.000 -4.482 0.000) 4.482 23.828 ( 0.000 -0.070 0.000) 0.070 23.877 ( 0.000 -2.036 0.000) 2.036 24.240 ( 0.000 3.777 0.000) 3.777 24.364 ( 0.000 -4.411 0.000) 4.411 24.531 ( 0.000 3.080 0.000) 3.080 24.567 ( 0.000 -1.850 -0.000) 1.850 24.842 ( 0.000 5.852 0.000) 5.852 25.043 ( 0.000 -9.556 0.000) 9.556 25.610 ( 1.341 -0.376 -1.503) 2.049 25.610 ( -1.341 -0.371 1.503) 2.048 25.842 ( 0.000 -1.312 -0.000) 1.312 25.873 ( 0.000 -2.932 -0.000) 2.932 26.283 ( 0.000 8.504 0.000) 8.504 26.500 ( 0.000 -11.323 0.000) 11.323 27.203 ( 0.000 7.044 -0.000) 7.044 27.287 ( 0.000 -1.261 0.000) 1.261 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 11.361 0.000 24.720) 27.205 0.653 ( -10.430 0.000 31.772) 33.440 1.051 ( 3.822 0.000 48.796) 48.946 1.682 ( -2.828 0.000 -11.082) 11.438 1.764 ( -11.021 0.000 1.401) 11.109 1.874 ( -2.636 0.000 7.242) 7.707 2.096 ( 0.701 0.000 3.627) 3.694 2.104 ( 2.878 0.000 -11.226) 11.589 2.409 ( 1.569 0.000 5.463) 5.684 2.431 ( -3.728 0.000 -4.839) 6.108 2.541 ( 2.015 0.000 -5.180) 5.558 2.651 ( -5.070 0.000 -9.943) 11.161 2.704 ( 10.894 0.000 0.601) 10.911 2.766 ( 3.064 0.000 11.829) 12.219 2.820 ( -3.260 0.000 2.401) 4.049 2.843 ( -7.536 0.000 4.250) 8.652 2.973 ( 0.300 0.000 -1.638) 1.665 3.132 ( -4.958 0.000 -0.774) 5.018 3.178 ( -1.325 0.000 -4.449) 4.642 3.240 ( -1.235 0.000 -2.070) 2.411 3.275 ( 2.243 0.000 1.112) 2.504 3.303 ( -1.337 0.000 -2.193) 2.569 3.449 ( 8.873 0.000 4.982) 10.176 3.510 ( 1.788 0.000 -2.145) 2.792 3.554 ( 0.198 0.000 -5.697) 5.701 3.557 ( 0.797 0.000 1.812) 1.980 3.639 ( 3.731 0.000 0.103) 3.733 3.679 ( -3.717 0.000 -0.012) 3.717 3.713 ( 3.151 0.000 0.339) 3.169 3.819 ( -4.787 0.000 -7.639) 9.014 3.859 ( -0.601 0.000 1.150) 1.298 3.958 ( -4.819 0.000 -2.826) 5.587 3.966 ( 2.021 0.000 0.036) 2.021 4.015 ( -5.268 0.000 1.017) 5.365 4.044 ( 1.667 0.000 1.405) 2.180 4.117 ( -0.411 0.000 -3.613) 3.636 4.221 ( -0.487 0.000 -1.362) 1.447 4.266 ( -0.734 0.000 -1.126) 1.344 4.475 ( 4.176 0.000 6.987) 8.140 4.526 ( -1.712 0.000 9.788) 9.937 4.545 ( 0.330 0.000 -3.270) 3.286 4.629 ( 0.515 0.000 -7.318) 7.336 4.639 ( 7.053 0.000 -7.775) 10.497 4.734 ( 0.896 0.000 -1.432) 1.689 4.859 ( 4.416 0.000 0.280) 4.425 4.906 ( 0.462 0.000 -0.908) 1.019 4.911 ( 1.578 0.000 -12.116) 12.218 4.939 ( 1.183 0.000 5.500) 5.626 5.017 ( 4.583 0.000 2.123) 5.051 5.095 ( 3.630 0.000 0.883) 3.736 5.208 ( 3.096 0.000 -5.425) 6.246 5.246 ( -1.028 0.000 4.841) 4.949 5.288 ( -1.895 0.000 -2.552) 3.179 5.335 ( -0.693 0.000 -2.319) 2.420 5.443 ( 4.866 0.000 -1.521) 5.098 5.536 ( 0.244 0.000 -5.516) 5.521 5.565 ( 1.650 0.000 5.863) 6.091 5.585 ( -8.037 0.000 -0.789) 8.076 5.638 ( 0.571 0.000 3.883) 3.925 5.731 ( -1.513 0.000 -0.315) 1.546 5.802 ( 5.242 0.000 0.239) 5.247 5.867 ( 0.815 0.000 0.855) 1.181 5.975 ( 7.431 0.000 -4.674) 8.778 6.010 ( 1.253 0.000 0.318) 1.293 6.155 ( -4.859 0.000 5.478) 7.322 6.186 ( -0.839 0.000 -5.206) 5.273 6.242 ( -4.584 0.000 5.035) 6.809 6.275 ( -3.400 0.000 -3.875) 5.155 6.338 ( -0.634 0.000 1.068) 1.242 6.341 ( -2.700 0.000 4.906) 5.600 6.397 ( 5.790 0.000 -2.671) 6.377 6.453 ( -5.009 0.000 1.398) 5.200 6.530 ( -5.582 0.000 0.689) 5.625 6.562 ( 6.185 0.000 -1.283) 6.317 6.704 ( 2.909 0.000 1.572) 3.307 6.773 ( -1.590 0.000 -0.309) 1.620 6.827 ( -7.486 0.000 1.857) 7.713 6.829 ( -0.575 0.000 0.945) 1.106 6.933 ( -5.968 0.000 3.342) 6.840 6.980 ( 6.472 0.000 3.931) 7.572 7.256 ( 3.464 0.000 0.832) 3.562 7.338 ( -0.652 0.000 -1.637) 1.762 7.406 ( -1.197 0.000 -2.868) 3.108 7.454 ( 4.789 0.000 3.393) 5.869 7.643 ( 7.778 0.000 -6.705) 10.269 7.816 ( 4.302 0.000 -0.681) 4.356 7.864 ( -6.100 0.000 0.666) 6.136 7.968 ( 13.082 0.000 -0.012) 13.082 7.970 ( -2.160 0.000 6.611) 6.955 8.247 ( -1.245 0.000 4.474) 4.644 8.289 ( -0.763 0.000 -4.721) 4.782 8.407 ( 2.745 0.000 -3.067) 4.116 8.476 ( 3.157 0.000 -2.984) 4.344 8.499 ( 1.930 0.000 2.967) 3.539 8.578 ( -1.076 0.000 1.419) 1.781 8.695 ( 1.154 0.000 -3.490) 3.676 8.870 ( 0.325 0.000 -0.309) 0.448 8.934 ( -0.288 0.000 -2.955) 2.969 9.123 ( 3.308 0.000 4.302) 5.427 9.303 ( -0.751 0.000 -1.269) 1.474 9.900 ( -0.942 0.000 1.420) 1.704 10.132 ( 0.516 0.000 -7.838) 7.855 10.166 ( 1.128 0.000 0.217) 1.148 10.414 ( 0.933 0.000 -1.722) 1.959 10.515 ( -6.175 0.000 8.498) 10.505 10.577 ( -2.197 0.000 5.584) 6.001 10.759 ( -16.964 0.000 1.893) 17.069 10.929 ( 2.182 0.000 -3.758) 4.346 11.070 ( -0.368 0.000 -0.754) 0.839 11.131 ( 5.240 0.000 -2.724) 5.906 11.207 ( 2.049 0.000 1.529) 2.556 11.226 ( -3.006 0.000 0.660) 3.078 11.281 ( -5.325 0.000 -1.175) 5.453 11.303 ( 0.537 0.000 0.498) 0.732 11.429 ( 2.321 0.000 0.277) 2.337 11.473 ( -0.511 0.000 1.412) 1.501 11.506 ( 1.636 0.000 2.945) 3.369 11.609 ( -0.040 0.000 -1.219) 1.220 11.689 ( 2.144 0.000 -0.593) 2.224 11.717 ( 0.853 0.000 -0.726) 1.121 11.776 ( 1.092 0.000 1.031) 1.502 11.815 ( -1.959 0.000 0.418) 2.003 11.992 ( 0.056 0.000 -2.006) 2.007 12.011 ( 0.925 0.000 -1.782) 2.008 12.752 ( -1.302 0.000 0.611) 1.439 13.064 ( -2.998 0.000 -6.977) 7.594 13.114 ( -37.688 0.000 4.204) 37.921 13.263 ( 8.184 0.000 1.813) 8.382 13.971 ( -2.117 0.000 3.076) 3.734 14.219 ( 3.407 0.000 -1.341) 3.661 14.223 ( -0.356 0.000 0.319) 0.478 14.288 ( 23.595 0.000 -2.503) 23.728 14.780 ( -0.598 0.000 1.444) 1.563 14.833 ( 0.791 0.000 1.567) 1.755 14.896 ( 0.801 0.000 -1.357) 1.576 15.003 ( -13.542 0.000 -2.306) 13.737 16.543 ( 0.494 0.000 0.008) 0.494 16.555 ( -1.787 0.000 -0.459) 1.845 16.607 ( -0.419 0.000 0.350) 0.546 16.639 ( 0.075 0.000 -0.191) 0.205 16.680 ( -1.748 0.000 1.542) 2.331 16.745 ( 0.302 0.000 -0.193) 0.358 17.125 ( 0.831 0.000 3.249) 3.354 17.377 ( 0.558 0.000 -2.404) 2.468 22.886 ( -1.426 0.000 0.877) 1.674 22.994 ( 3.103 0.000 -1.781) 3.577 23.332 ( -3.497 0.000 1.824) 3.944 23.411 ( 0.246 0.000 4.653) 4.660 23.459 ( 1.668 0.000 -0.900) 1.895 23.723 ( -22.465 0.000 3.918) 22.804 23.750 ( -32.034 0.000 1.403) 32.065 23.992 ( 4.171 0.000 -2.040) 4.643 24.018 ( -1.737 0.000 -5.789) 6.044 24.203 ( 2.140 0.000 -1.596) 2.670 24.310 ( -2.942 0.000 4.842) 5.666 24.311 ( 0.811 0.000 -2.083) 2.235 24.416 ( 8.690 0.000 -0.736) 8.721 24.733 ( -1.892 0.000 -3.796) 4.241 24.848 ( 0.299 0.000 1.182) 1.220 25.171 ( -5.106 0.000 -9.275) 10.587 25.273 ( -7.618 0.000 7.183) 10.470 25.355 ( 2.877 0.000 0.726) 2.967 25.727 ( 4.058 0.000 9.257) 10.107 25.845 ( 1.330 0.000 0.425) 1.396 26.086 ( 18.489 0.000 -1.448) 18.546 26.485 ( 3.515 0.000 -14.089) 14.521 27.159 ( -6.515 0.000 11.797) 13.477 27.726 ( 29.186 0.000 -4.767) 29.573 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 22.395 0.000 15.455) 27.210 0.858 ( 19.180 0.000 20.305) 27.931 1.519 ( 30.505 0.000 34.263) 45.875 1.563 ( -9.062 0.000 -6.301) 11.037 1.633 ( 0.235 0.000 -11.642) 11.644 1.873 ( 1.392 0.000 4.289) 4.510 2.069 ( -2.545 0.000 5.071) 5.674 2.116 ( 1.139 0.000 -9.075) 9.146 2.372 ( -4.090 0.000 11.524) 12.229 2.374 ( -2.044 0.000 -4.404) 4.855 2.547 ( -3.520 0.000 -13.134) 13.598 2.661 ( 8.329 0.000 1.544) 8.471 2.730 ( -0.799 0.000 7.012) 7.057 2.741 ( -2.282 0.000 -3.142) 3.883 2.869 ( 6.508 0.000 11.090) 12.859 2.886 ( -2.691 0.000 2.387) 3.597 2.963 ( 1.120 0.000 -6.367) 6.465 3.100 ( -4.160 0.000 1.801) 4.533 3.161 ( -7.829 0.000 -4.460) 9.010 3.231 ( -3.043 0.000 -6.193) 6.900 3.237 ( 16.125 0.000 -5.244) 16.956 3.392 ( 1.750 0.000 2.736) 3.248 3.501 ( 3.438 0.000 7.861) 8.580 3.529 ( -1.772 0.000 -4.415) 4.758 3.548 ( -2.172 0.000 -6.069) 6.446 3.596 ( 3.922 0.000 -0.408) 3.944 3.663 ( 2.944 0.000 0.157) 2.948 3.665 ( -10.956 0.000 -6.807) 12.898 3.735 ( 2.083 0.000 -1.861) 2.793 3.789 ( 0.348 0.000 4.510) 4.524 3.841 ( -4.395 0.000 -1.007) 4.509 3.854 ( 1.939 0.000 -3.634) 4.119 3.938 ( 2.062 0.000 1.548) 2.578 4.003 ( -6.342 0.000 -3.556) 7.271 4.013 ( 1.044 0.000 -2.566) 2.770 4.112 ( 1.909 0.000 2.459) 3.113 4.228 ( 5.753 0.000 2.740) 6.373 4.360 ( 7.619 0.000 -3.635) 8.442 4.478 ( -4.658 0.000 8.177) 9.411 4.510 ( 1.471 0.000 6.115) 6.289 4.592 ( -0.656 0.000 0.816) 1.047 4.658 ( 4.829 0.000 -2.014) 5.233 4.704 ( 0.148 0.000 -7.287) 7.289 4.770 ( 6.270 0.000 -7.537) 9.804 4.885 ( -1.810 0.000 -4.245) 4.615 4.922 ( -0.395 0.000 4.166) 4.184 4.956 ( 2.370 0.000 1.561) 2.838 5.015 ( 4.069 0.000 2.381) 4.714 5.098 ( 1.246 0.000 -7.466) 7.569 5.161 ( 2.786 0.000 0.360) 2.809 5.217 ( -1.527 0.000 -0.541) 1.620 5.281 ( 3.629 0.000 5.859) 6.892 5.288 ( -1.231 0.000 -4.078) 4.259 5.308 ( 0.814 0.000 -4.673) 4.744 5.503 ( 0.250 0.000 -6.334) 6.339 5.506 ( 0.027 0.000 1.932) 1.932 5.541 ( 2.217 0.000 -6.110) 6.500 5.604 ( 4.443 0.000 5.824) 7.326 5.649 ( 1.765 0.000 6.455) 6.692 5.658 ( -6.275 0.000 7.063) 9.448 5.849 ( -0.305 0.000 3.049) 3.064 5.910 ( 2.349 0.000 2.749) 3.616 5.989 ( -3.742 0.000 -2.298) 4.391 6.024 ( -7.850 0.000 2.260) 8.169 6.032 ( -2.913 0.000 -3.225) 4.346 6.093 ( -3.066 0.000 -9.934) 10.396 6.166 ( -3.641 0.000 6.481) 7.434 6.196 ( -5.244 0.000 6.436) 8.302 6.328 ( 4.448 0.000 -1.478) 4.687 6.329 ( 0.533 0.000 -2.335) 2.395 6.380 ( -8.082 0.000 -2.394) 8.429 6.418 ( -2.630 0.000 -4.220) 4.972 6.491 ( 3.574 0.000 -0.640) 3.630 6.614 ( -0.937 0.000 -0.063) 0.939 6.731 ( 1.463 0.000 -0.243) 1.483 6.767 ( -3.111 0.000 -5.851) 6.626 6.771 ( -3.244 0.000 1.560) 3.600 6.817 ( 1.950 0.000 9.498) 9.696 6.932 ( 5.198 0.000 -0.204) 5.202 7.065 ( -0.944 0.000 1.886) 2.109 7.275 ( 0.441 0.000 7.374) 7.387 7.330 ( 0.099 0.000 1.539) 1.542 7.359 ( -3.524 0.000 -4.571) 5.772 7.542 ( 1.451 0.000 -1.938) 2.421 7.673 ( 0.134 0.000 -6.346) 6.348 7.805 ( 0.896 0.000 2.936) 3.069 7.818 ( -0.076 0.000 -8.769) 8.769 7.974 ( 2.425 0.000 1.711) 2.968 8.201 ( -7.923 0.000 -2.765) 8.392 8.233 ( -0.596 0.000 3.358) 3.411 8.239 ( 5.769 0.000 -5.191) 7.761 8.454 ( 3.341 0.000 -0.006) 3.341 8.504 ( -0.411 0.000 -1.496) 1.551 8.508 ( -2.880 0.000 4.205) 5.097 8.537 ( -2.823 0.000 1.452) 3.174 8.730 ( 0.980 0.000 -2.350) 2.546 8.868 ( -0.665 0.000 0.484) 0.823 8.903 ( -4.186 0.000 -0.278) 4.196 9.133 ( -0.887 0.000 5.798) 5.866 9.290 ( -0.311 0.000 -1.965) 1.990 9.887 ( -0.533 0.000 1.207) 1.319 10.121 ( 0.592 0.000 -7.955) 7.977 10.201 ( 2.261 0.000 0.126) 2.264 10.349 ( -7.360 0.000 9.764) 12.228 10.428 ( -3.102 0.000 4.061) 5.110 10.478 ( -0.591 0.000 0.441) 0.738 10.556 ( -0.699 0.000 4.397) 4.452 10.960 ( 0.987 0.000 -1.572) 1.857 11.066 ( 0.531 0.000 -1.814) 1.890 11.152 ( -3.948 0.000 0.677) 4.006 11.161 ( -0.879 0.000 0.037) 0.879 11.234 ( 0.494 0.000 3.060) 3.099 11.236 ( 0.786 0.000 -3.744) 3.826 11.321 ( 0.458 0.000 1.440) 1.511 11.426 ( -1.137 0.000 2.386) 2.643 11.505 ( 2.299 0.000 -0.610) 2.378 11.555 ( 2.034 0.000 3.112) 3.718 11.581 ( -1.317 0.000 -1.074) 1.699 11.715 ( -0.293 0.000 0.942) 0.987 11.716 ( -1.037 0.000 0.337) 1.091 11.769 ( -1.015 0.000 1.028) 1.444 11.774 ( -2.010 0.000 -1.066) 2.275 11.993 ( 0.350 0.000 -2.185) 2.213 11.999 ( -1.794 0.000 -0.751) 1.944 12.687 ( -2.055 0.000 6.379) 6.701 12.792 ( -0.658 0.000 3.702) 3.760 12.989 ( -3.564 0.000 -5.059) 6.188 13.375 ( 1.946 0.000 4.476) 4.880 13.939 ( -1.025 0.000 0.916) 1.375 14.243 ( 2.223 0.000 0.318) 2.246 14.256 ( 2.818 0.000 -0.845) 2.942 14.409 ( -3.273 0.000 0.995) 3.421 14.766 ( -0.559 0.000 1.184) 1.310 14.886 ( 3.779 0.000 2.584) 4.578 14.895 ( 0.057 0.000 -1.477) 1.478 15.086 ( 10.891 0.000 -10.417) 15.071 16.542 ( 0.465 0.000 -0.087) 0.473 16.555 ( 0.688 0.000 0.377) 0.785 16.609 ( 0.565 0.000 -0.106) 0.575 16.645 ( 0.540 0.000 0.206) 0.578 16.665 ( -0.173 0.000 0.231) 0.288 16.748 ( 0.003 0.000 0.184) 0.184 17.132 ( -0.047 0.000 2.593) 2.594 17.381 ( 0.096 0.000 -2.165) 2.167 22.863 ( -0.876 0.000 -0.266) 0.916 23.012 ( -3.443 0.000 2.137) 4.052 23.161 ( -4.437 0.000 9.548) 10.528 23.294 ( -0.587 0.000 -1.109) 1.255 23.440 ( 2.287 0.000 4.620) 5.156 23.514 ( 2.834 0.000 -0.220) 2.842 23.706 ( -3.644 0.000 4.196) 5.557 24.030 ( -1.877 0.000 1.994) 2.739 24.033 ( -1.316 0.000 -4.550) 4.736 24.116 ( -8.273 0.000 0.639) 8.298 24.171 ( -4.972 0.000 -4.201) 6.510 24.312 ( 0.872 0.000 -0.357) 0.942 24.603 ( 5.602 0.000 2.007) 5.950 24.737 ( 0.308 0.000 -5.008) 5.017 24.862 ( -2.081 0.000 7.324) 7.614 25.129 ( 1.767 0.000 -11.927) 12.057 25.232 ( 4.320 0.000 1.022) 4.439 25.421 ( 3.943 0.000 3.177) 5.063 25.831 ( 5.102 0.000 8.810) 10.181 25.850 ( -0.420 0.000 0.765) 0.873 26.351 ( 9.255 0.000 -13.620) 16.467 26.537 ( 3.677 0.000 -14.743) 15.194 27.010 ( -9.659 0.000 9.754) 13.727 27.854 ( -8.451 0.000 1.390) 8.565 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 17.969 0.000 16.069) 24.106 1.305 ( 24.985 0.000 4.248) 25.344 1.428 ( -3.420 0.000 -9.806) 10.385 1.646 ( 2.231 0.000 -10.065) 10.309 1.896 ( 2.255 0.000 -2.950) 3.713 2.062 ( 8.961 0.000 -1.398) 9.070 2.145 ( 17.505 0.000 12.991) 21.799 2.168 ( 6.138 0.000 -12.198) 13.656 2.318 ( -3.883 0.000 -5.815) 6.992 2.363 ( 3.423 0.000 14.063) 14.474 2.514 ( 2.380 0.000 -10.209) 10.483 2.711 ( -9.211 0.000 -0.785) 9.244 2.757 ( -1.920 0.000 7.607) 7.845 2.770 ( 6.705 0.000 -0.488) 6.723 2.810 ( 5.814 0.000 13.723) 14.904 2.959 ( -3.018 0.000 2.771) 4.097 3.002 ( -0.820 0.000 -11.455) 11.484 3.070 ( 3.390 0.000 -1.939) 3.905 3.089 ( 5.758 0.000 7.237) 9.249 3.136 ( -4.502 0.000 -7.090) 8.399 3.309 ( -6.841 0.000 8.137) 10.630 3.385 ( -11.952 0.000 -6.542) 13.625 3.442 ( 1.731 0.000 -0.536) 1.812 3.462 ( -8.128 0.000 -2.251) 8.434 3.550 ( 3.387 0.000 -3.950) 5.203 3.579 ( -2.224 0.000 -4.116) 4.678 3.645 ( -4.494 0.000 0.174) 4.498 3.708 ( 3.797 0.000 -4.478) 5.871 3.710 ( -5.392 0.000 -2.353) 5.883 3.777 ( 4.020 0.000 5.375) 6.712 3.786 ( 2.762 0.000 -0.562) 2.819 3.959 ( 10.585 0.000 -7.441) 12.938 4.025 ( 6.977 0.000 6.146) 9.298 4.063 ( 4.972 0.000 -0.282) 4.980 4.068 ( 7.012 0.000 4.772) 8.482 4.143 ( 3.539 0.000 -1.118) 3.711 4.356 ( -3.241 0.000 3.304) 4.628 4.377 ( 5.161 0.000 8.468) 9.917 4.528 ( -2.816 0.000 -2.813) 3.981 4.537 ( 7.756 0.000 -4.918) 9.184 4.552 ( -0.861 0.000 2.804) 2.934 4.724 ( 1.148 0.000 -7.922) 8.005 4.763 ( 5.660 0.000 7.176) 9.139 4.834 ( -3.032 0.000 1.489) 3.378 4.873 ( 1.134 0.000 -1.651) 2.002 4.903 ( 1.558 0.000 1.380) 2.082 4.969 ( 0.571 0.000 2.162) 2.236 5.050 ( -1.430 0.000 8.062) 8.188 5.083 ( -1.977 0.000 -2.933) 3.537 5.130 ( -2.905 0.000 -4.647) 5.480 5.193 ( 0.228 0.000 0.145) 0.270 5.226 ( -4.229 0.000 -1.185) 4.392 5.345 ( 1.848 0.000 -2.298) 2.949 5.364 ( 3.410 0.000 4.684) 5.794 5.450 ( -5.645 0.000 0.770) 5.697 5.530 ( 2.338 0.000 -6.565) 6.968 5.557 ( -2.660 0.000 7.632) 8.082 5.642 ( 8.518 0.000 -5.498) 10.138 5.699 ( 0.514 0.000 1.141) 1.251 5.705 ( -1.585 0.000 7.082) 7.257 5.830 ( -10.089 0.000 -1.177) 10.158 5.862 ( 1.097 0.000 -1.710) 2.032 5.896 ( -3.859 0.000 -3.056) 4.923 5.946 ( 0.765 0.000 2.395) 2.514 5.986 ( 4.008 0.000 -1.059) 4.145 6.090 ( -1.467 0.000 -1.518) 2.111 6.094 ( -5.302 0.000 4.715) 7.096 6.156 ( 2.415 0.000 0.392) 2.446 6.253 ( -3.445 0.000 -2.046) 4.006 6.281 ( -3.816 0.000 4.831) 6.156 6.362 ( 1.978 0.000 -1.436) 2.444 6.432 ( 0.879 0.000 -9.731) 9.771 6.532 ( 0.686 0.000 -0.969) 1.187 6.621 ( 3.073 0.000 -2.620) 4.038 6.667 ( -5.780 0.000 -4.269) 7.186 6.720 ( -1.841 0.000 0.580) 1.930 6.754 ( 0.507 0.000 1.603) 1.681 6.858 ( -0.718 0.000 9.569) 9.596 6.964 ( -6.653 0.000 0.126) 6.654 6.999 ( 0.984 0.000 -1.922) 2.159 7.257 ( -6.183 0.000 -5.209) 8.085 7.275 ( -1.671 0.000 7.200) 7.391 7.361 ( 1.598 0.000 3.041) 3.435 7.502 ( -3.476 0.000 -6.529) 7.397 7.661 ( -1.185 0.000 -6.243) 6.355 7.826 ( 1.947 0.000 -10.026) 10.214 7.871 ( 3.803 0.000 4.908) 6.209 7.993 ( -11.037 0.000 5.956) 12.541 8.064 ( 5.854 0.000 -1.437) 6.028 8.242 ( 1.410 0.000 2.634) 2.988 8.257 ( -1.563 0.000 -1.843) 2.416 8.408 ( -6.211 0.000 6.313) 8.856 8.444 ( -4.345 0.000 0.234) 4.352 8.509 ( -0.857 0.000 1.964) 2.143 8.546 ( 4.699 0.000 -1.827) 5.041 8.721 ( -0.642 0.000 -0.192) 0.670 8.844 ( -1.944 0.000 1.742) 2.610 8.847 ( -0.726 0.000 -0.051) 0.728 9.140 ( -0.093 0.000 4.165) 4.166 9.283 ( -0.356 0.000 -1.638) 1.677 9.884 ( 0.192 0.000 0.149) 0.243 10.157 ( 3.261 0.000 -11.598) 12.048 10.241 ( 1.456 0.000 2.226) 2.660 10.314 ( 0.776 0.000 2.462) 2.581 10.413 ( 1.179 0.000 -1.805) 2.155 10.499 ( 1.651 0.000 -0.685) 1.788 10.569 ( 1.256 0.000 4.234) 4.416 10.960 ( -0.783 0.000 0.364) 0.863 11.076 ( -3.756 0.000 1.679) 4.115 11.084 ( 1.421 0.000 -4.712) 4.921 11.158 ( 0.388 0.000 -0.783) 0.874 11.241 ( -0.126 0.000 4.510) 4.511 11.244 ( 0.450 0.000 -5.474) 5.493 11.308 ( -1.554 0.000 1.499) 2.159 11.425 ( 0.439 0.000 2.808) 2.842 11.536 ( -1.973 0.000 2.738) 3.375 11.541 ( 1.681 0.000 -0.886) 1.900 11.603 ( 0.295 0.000 1.101) 1.139 11.676 ( -2.424 0.000 1.477) 2.838 11.679 ( -2.732 0.000 1.194) 2.982 11.744 ( -0.867 0.000 -1.964) 2.147 11.761 ( -0.248 0.000 0.575) 0.626 11.950 ( -3.096 0.000 0.876) 3.217 12.005 ( 1.044 0.000 -1.150) 1.553 12.707 ( 1.598 0.000 2.546) 3.006 12.818 ( 2.139 0.000 1.152) 2.429 12.931 ( -1.613 0.000 -3.392) 3.756 13.337 ( -5.741 0.000 3.497) 6.723 13.939 ( 0.636 0.000 0.827) 1.044 14.292 ( 0.111 0.000 -1.000) 1.006 14.297 ( 2.893 0.000 0.831) 3.010 14.394 ( 2.192 0.000 1.896) 2.898 14.765 ( 0.286 0.000 1.089) 1.126 14.897 ( 0.305 0.000 -1.621) 1.649 14.966 ( 3.767 0.000 3.224) 4.958 15.219 ( 4.907 0.000 -8.393) 9.722 16.555 ( 0.633 0.000 -0.315) 0.708 16.568 ( 0.499 0.000 0.751) 0.901 16.626 ( 1.209 0.000 -0.788) 1.443 16.655 ( 0.305 0.000 0.385) 0.491 16.673 ( 1.062 0.000 -0.493) 1.171 16.746 ( -0.159 0.000 0.403) 0.433 17.138 ( 0.334 0.000 2.263) 2.287 17.375 ( -0.341 0.000 -2.110) 2.138 22.857 ( 0.446 0.000 -1.296) 1.371 22.969 ( -0.454 0.000 -2.487) 2.528 23.173 ( 0.701 0.000 5.655) 5.699 23.302 ( 1.675 0.000 -3.991) 4.328 23.499 ( 2.388 0.000 4.901) 5.452 23.534 ( -1.729 0.000 0.616) 1.835 23.663 ( 0.341 0.000 1.864) 1.895 23.889 ( -8.795 0.000 2.429) 9.124 23.931 ( -6.400 0.000 2.980) 7.060 24.012 ( -4.446 0.000 2.151) 4.939 24.156 ( 1.783 0.000 -7.574) 7.781 24.355 ( 2.215 0.000 4.056) 4.622 24.589 ( -5.800 0.000 2.192) 6.200 24.713 ( -0.737 0.000 -6.072) 6.116 24.871 ( 2.397 0.000 8.237) 8.579 25.118 ( -3.269 0.000 -10.759) 11.244 25.379 ( 9.173 0.000 -1.819) 9.351 25.544 ( 8.338 0.000 3.337) 8.981 25.833 ( -1.428 0.000 1.069) 1.784 25.931 ( 4.118 0.000 5.608) 6.958 26.453 ( 4.107 0.000 -14.005) 14.595 26.544 ( -3.030 0.000 -16.069) 16.352 26.880 ( -2.761 0.000 10.849) 11.195 27.657 ( -10.800 0.000 8.750) 13.900 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.828 0.000 -7.371) 7.417 1.578 ( 13.960 0.000 13.845) 19.662 1.672 ( 10.641 0.000 -2.648) 10.965 1.687 ( 4.500 0.000 -8.532) 9.646 1.966 ( 6.775 0.000 -5.141) 8.505 2.204 ( 3.859 0.000 -0.379) 3.877 2.214 ( -5.553 0.000 -6.315) 8.409 2.308 ( 8.587 0.000 -19.047) 20.893 2.383 ( 9.827 0.000 -1.485) 9.938 2.430 ( -0.819 0.000 6.246) 6.299 2.484 ( -5.133 0.000 -2.913) 5.902 2.633 ( 4.595 0.000 -4.052) 6.126 2.763 ( 1.163 0.000 4.901) 5.037 2.804 ( -6.589 0.000 -9.437) 11.510 2.895 ( 4.566 0.000 13.202) 13.969 2.948 ( -1.462 0.000 -11.812) 11.902 2.991 ( 4.023 0.000 0.797) 4.101 3.073 ( -9.610 0.000 -5.390) 11.018 3.176 ( -6.995 0.000 11.069) 13.094 3.179 ( 4.039 0.000 8.427) 9.345 3.195 ( 4.772 0.000 -8.663) 9.890 3.238 ( 6.083 0.000 9.032) 10.890 3.345 ( -4.426 0.000 -1.253) 4.600 3.354 ( -6.412 0.000 -0.443) 6.428 3.574 ( -1.905 0.000 2.401) 3.065 3.600 ( 1.241 0.000 -1.023) 1.608 3.615 ( -3.569 0.000 0.726) 3.642 3.658 ( 9.084 0.000 0.108) 9.085 3.730 ( 3.190 0.000 -3.980) 5.101 3.812 ( -2.429 0.000 -0.594) 2.500 3.893 ( 8.225 0.000 1.520) 8.364 4.034 ( -2.470 0.000 -3.918) 4.632 4.070 ( -0.462 0.000 0.986) 1.088 4.182 ( 6.840 0.000 4.319) 8.089 4.241 ( 5.710 0.000 4.131) 7.047 4.275 ( 5.192 0.000 -8.239) 9.739 4.395 ( -1.732 0.000 9.249) 9.410 4.396 ( 4.116 0.000 1.420) 4.354 4.462 ( -2.179 0.000 1.997) 2.956 4.615 ( -4.982 0.000 -0.930) 5.068 4.640 ( 11.461 0.000 2.943) 11.833 4.671 ( -1.311 0.000 -1.395) 1.915 4.769 ( -1.771 0.000 -1.005) 2.037 4.811 ( -3.552 0.000 1.898) 4.028 4.874 ( -6.365 0.000 7.138) 9.564 4.903 ( 1.410 0.000 4.242) 4.470 4.978 ( -6.515 0.000 8.916) 11.042 5.044 ( 4.789 0.000 -0.544) 4.820 5.060 ( 2.070 0.000 2.706) 3.407 5.144 ( 3.277 0.000 -2.585) 4.174 5.183 ( 0.068 0.000 -1.141) 1.143 5.193 ( 3.482 0.000 -2.087) 4.059 5.301 ( -12.530 0.000 8.355) 15.060 5.383 ( -4.147 0.000 0.885) 4.241 5.392 ( 3.565 0.000 -3.005) 4.663 5.519 ( 0.074 0.000 9.438) 9.439 5.552 ( -0.997 0.000 0.837) 1.301 5.600 ( -11.696 0.000 -2.427) 11.945 5.605 ( 1.014 0.000 0.199) 1.033 5.690 ( -0.372 0.000 -9.853) 9.860 5.812 ( 7.897 0.000 -0.906) 7.949 5.850 ( -0.713 0.000 -7.516) 7.550 5.898 ( -6.771 0.000 1.941) 7.044 5.967 ( 5.196 0.000 -3.192) 6.098 6.017 ( -1.852 0.000 -0.681) 1.973 6.101 ( 3.167 0.000 3.623) 4.812 6.118 ( 7.081 0.000 -1.007) 7.152 6.221 ( 2.944 0.000 -1.200) 3.180 6.250 ( 3.496 0.000 4.306) 5.546 6.274 ( 1.287 0.000 3.128) 3.382 6.386 ( 0.394 0.000 0.120) 0.412 6.393 ( -2.333 0.000 -5.634) 6.098 6.510 ( -2.682 0.000 -1.923) 3.300 6.543 ( -6.720 0.000 -1.699) 6.931 6.645 ( -5.191 0.000 -3.170) 6.083 6.722 ( 2.465 0.000 -1.591) 2.934 6.773 ( 3.508 0.000 3.071) 4.663 6.803 ( -2.777 0.000 3.311) 4.321 6.890 ( -2.582 0.000 0.450) 2.621 6.982 ( -1.145 0.000 -5.121) 5.247 7.133 ( -5.282 0.000 -4.232) 6.769 7.250 ( -1.678 0.000 1.768) 2.437 7.343 ( -3.543 0.000 1.278) 3.767 7.454 ( -0.067 0.000 -1.412) 1.414 7.562 ( -8.064 0.000 -3.881) 8.949 7.824 ( -0.153 0.000 -3.847) 3.850 7.929 ( 1.464 0.000 2.020) 2.495 7.935 ( 4.023 0.000 -3.050) 5.048 8.155 ( 3.843 0.000 -2.918) 4.825 8.199 ( -4.227 0.000 1.668) 4.544 8.289 ( 2.257 0.000 2.591) 3.436 8.326 ( -2.534 0.000 3.079) 3.988 8.374 ( -2.547 0.000 2.062) 3.277 8.514 ( 1.166 0.000 3.724) 3.903 8.584 ( -0.820 0.000 -3.639) 3.730 8.736 ( 1.926 0.000 3.569) 4.055 8.802 ( -2.445 0.000 2.382) 3.414 8.852 ( 0.951 0.000 -1.785) 2.022 9.129 ( -1.415 0.000 3.911) 4.159 9.267 ( -1.065 0.000 -0.611) 1.228 9.895 ( 0.993 0.000 -1.473) 1.776 10.190 ( 1.428 0.000 -9.956) 10.058 10.258 ( -0.051 0.000 3.957) 3.957 10.350 ( 2.579 0.000 -1.316) 2.895 10.451 ( 2.750 0.000 -4.301) 5.105 10.525 ( 1.037 0.000 -2.835) 3.018 10.608 ( 1.979 0.000 6.368) 6.669 10.938 ( -1.348 0.000 0.042) 1.349 11.022 ( -2.013 0.000 1.932) 2.791 11.093 ( -0.196 0.000 -5.098) 5.102 11.169 ( 0.838 0.000 0.152) 0.852 11.242 ( 0.291 0.000 -6.803) 6.809 11.248 ( 0.701 0.000 2.971) 3.052 11.289 ( -0.163 0.000 0.079) 0.181 11.436 ( 0.107 0.000 3.780) 3.781 11.508 ( -1.100 0.000 1.524) 1.879 11.561 ( -3.651 0.000 3.757) 5.239 11.566 ( 0.464 0.000 -0.563) 0.729 11.625 ( -2.390 0.000 1.965) 3.094 11.658 ( -0.540 0.000 1.274) 1.384 11.738 ( 0.605 0.000 -2.219) 2.300 11.765 ( 0.750 0.000 -0.439) 0.869 11.891 ( -3.142 0.000 2.619) 4.090 12.020 ( 0.268 0.000 0.193) 0.331 12.737 ( 1.345 0.000 2.315) 2.677 12.860 ( 1.842 0.000 0.907) 2.053 12.923 ( 1.150 0.000 -2.712) 2.946 13.202 ( -7.638 0.000 0.979) 7.700 13.954 ( 0.651 0.000 2.066) 2.166 14.275 ( -1.320 0.000 -1.662) 2.122 14.345 ( 1.748 0.000 1.477) 2.288 14.452 ( 2.644 0.000 0.084) 2.645 14.776 ( 0.587 0.000 1.000) 1.159 14.901 ( 0.333 0.000 -1.632) 1.666 15.025 ( 1.756 0.000 3.047) 3.516 15.277 ( 2.467 0.000 -5.483) 6.012 16.563 ( 0.245 0.000 -0.018) 0.246 16.575 ( 0.095 0.000 0.797) 0.802 16.649 ( 1.165 0.000 -1.100) 1.602 16.659 ( 0.145 0.000 -0.274) 0.310 16.698 ( 1.357 0.000 0.210) 1.373 16.743 ( -0.274 0.000 0.291) 0.400 17.147 ( 0.253 0.000 1.934) 1.950 17.364 ( -0.437 0.000 -2.173) 2.217 22.880 ( 2.118 0.000 -2.172) 3.034 22.967 ( 0.203 0.000 -5.002) 5.006 23.176 ( -0.653 0.000 3.841) 3.896 23.347 ( 3.789 0.000 -6.374) 7.415 23.493 ( -4.170 0.000 6.099) 7.389 23.499 ( -0.504 0.000 0.798) 0.944 23.698 ( 1.529 0.000 4.618) 4.865 23.795 ( -1.689 0.000 3.806) 4.164 23.845 ( -2.719 0.000 5.165) 5.837 23.936 ( -2.935 0.000 2.153) 3.640 24.183 ( 1.704 0.000 -4.033) 4.378 24.360 ( -2.360 0.000 1.093) 2.601 24.476 ( -4.988 0.000 0.536) 5.016 24.749 ( 5.491 0.000 -1.851) 5.794 24.921 ( 1.116 0.000 6.303) 6.401 24.992 ( -7.404 0.000 -7.857) 10.796 25.547 ( 8.149 0.000 -1.191) 8.235 25.710 ( 7.662 0.000 2.192) 7.970 25.801 ( -1.803 0.000 1.937) 2.647 25.983 ( -0.113 0.000 1.905) 1.909 26.400 ( -7.108 0.000 -14.659) 16.291 26.492 ( 2.001 0.000 -14.995) 15.128 26.929 ( 4.443 0.000 10.580) 11.475 27.477 ( -9.114 0.000 7.984) 12.116 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -5.582 0.000 -4.151) 6.956 1.732 ( 2.979 0.000 -10.207) 10.633 1.798 ( 6.560 0.000 14.502) 15.917 1.811 ( 3.282 0.000 -7.357) 8.055 2.074 ( 2.359 0.000 -6.717) 7.120 2.126 ( -13.335 0.000 3.079) 13.686 2.136 ( 0.298 0.000 -9.476) 9.480 2.284 ( -2.921 0.000 2.098) 3.596 2.368 ( 3.420 0.000 -1.805) 3.867 2.530 ( 3.692 0.000 -14.053) 14.530 2.578 ( -0.278 0.000 -4.054) 4.064 2.658 ( 0.799 0.000 -8.298) 8.337 2.769 ( 2.521 0.000 -8.746) 9.102 2.856 ( 3.242 0.000 0.944) 3.377 2.914 ( 3.559 0.000 -5.098) 6.217 2.916 ( 2.122 0.000 2.058) 2.956 3.045 ( 3.570 0.000 -4.842) 6.016 3.051 ( 7.982 0.000 12.535) 14.861 3.065 ( -3.030 0.000 -4.294) 5.256 3.234 ( 0.374 0.000 -0.686) 0.781 3.281 ( 1.041 0.000 9.080) 9.139 3.297 ( -0.567 0.000 -3.523) 3.568 3.308 ( -2.697 0.000 6.803) 7.319 3.341 ( 6.529 0.000 3.772) 7.540 3.520 ( -2.886 0.000 7.176) 7.735 3.536 ( -2.934 0.000 8.242) 8.749 3.609 ( -0.094 0.000 -1.239) 1.243 3.691 ( -4.950 0.000 -6.794) 8.406 3.781 ( 2.339 0.000 -7.359) 7.722 3.857 ( 3.562 0.000 2.869) 4.574 3.963 ( -2.279 0.000 -6.407) 6.801 3.995 ( -3.952 0.000 -4.355) 5.881 4.174 ( -6.612 0.000 0.126) 6.613 4.194 ( 11.004 0.000 0.019) 11.004 4.298 ( 3.177 0.000 0.272) 3.189 4.310 ( -0.234 0.000 1.274) 1.296 4.329 ( -12.828 0.000 5.746) 14.057 4.404 ( -2.992 0.000 5.255) 6.047 4.492 ( 3.347 0.000 8.030) 8.700 4.515 ( 1.309 0.000 3.946) 4.157 4.595 ( -8.527 0.000 10.949) 13.878 4.670 ( -8.318 0.000 7.854) 11.440 4.688 ( -5.072 0.000 -0.529) 5.100 4.773 ( -0.949 0.000 -3.133) 3.274 4.854 ( 6.209 0.000 -0.684) 6.246 4.905 ( -0.385 0.000 -2.418) 2.448 4.963 ( 4.208 0.000 9.208) 10.124 5.028 ( -8.367 0.000 6.790) 10.776 5.118 ( 2.156 0.000 2.736) 3.484 5.122 ( 2.106 0.000 2.552) 3.309 5.225 ( 1.915 0.000 -6.351) 6.634 5.245 ( 3.705 0.000 -0.525) 3.742 5.283 ( -5.639 0.000 -4.102) 6.973 5.365 ( 0.474 0.000 4.791) 4.815 5.397 ( 6.958 0.000 -2.030) 7.248 5.467 ( -0.643 0.000 -3.344) 3.405 5.519 ( -1.268 0.000 4.852) 5.015 5.582 ( 2.651 0.000 -1.393) 2.995 5.612 ( -5.889 0.000 0.921) 5.961 5.668 ( 5.201 0.000 7.856) 9.422 5.833 ( 0.565 0.000 -9.594) 9.611 5.836 ( 0.292 0.000 -3.638) 3.650 5.862 ( -1.639 0.000 -0.999) 1.920 6.030 ( 0.818 0.000 -1.076) 1.352 6.051 ( 5.247 0.000 -2.139) 5.667 6.141 ( -2.420 0.000 3.200) 4.012 6.179 ( 0.132 0.000 -1.105) 1.113 6.227 ( -3.795 0.000 3.936) 5.467 6.288 ( 1.479 0.000 -5.904) 6.087 6.369 ( 1.286 0.000 2.536) 2.843 6.372 ( 1.163 0.000 6.234) 6.342 6.391 ( 1.741 0.000 -1.548) 2.329 6.446 ( -0.867 0.000 -2.601) 2.742 6.479 ( 1.951 0.000 -0.659) 2.059 6.489 ( -6.151 0.000 -5.010) 7.933 6.730 ( -0.696 0.000 1.744) 1.878 6.765 ( -3.950 0.000 0.216) 3.956 6.836 ( -1.572 0.000 -2.220) 2.720 6.862 ( 1.520 0.000 -1.759) 2.325 6.995 ( 4.611 0.000 -6.318) 7.822 7.097 ( 3.346 0.000 -1.519) 3.674 7.184 ( -4.512 0.000 -7.160) 8.464 7.305 ( -0.550 0.000 6.189) 6.213 7.434 ( -3.492 0.000 -2.513) 4.302 7.476 ( 1.871 0.000 0.799) 2.034 7.836 ( 1.003 0.000 -4.313) 4.428 7.934 ( -0.624 0.000 0.164) 0.646 8.024 ( 4.101 0.000 -3.835) 5.615 8.139 ( -0.526 0.000 0.176) 0.554 8.213 ( 2.464 0.000 -2.853) 3.770 8.304 ( -0.789 0.000 3.816) 3.896 8.317 ( 0.005 0.000 4.209) 4.209 8.362 ( 1.749 0.000 0.342) 1.782 8.531 ( -1.305 0.000 7.087) 7.206 8.541 ( -2.332 0.000 -3.844) 4.496 8.750 ( -1.702 0.000 3.749) 4.118 8.772 ( -0.644 0.000 1.772) 1.885 8.882 ( 2.510 0.000 -2.596) 3.611 9.101 ( -1.885 0.000 4.089) 4.502 9.251 ( -0.245 0.000 -0.223) 0.331 9.916 ( 1.265 0.000 -2.636) 2.924 10.189 ( -0.266 0.000 -7.799) 7.803 10.248 ( -1.571 0.000 4.634) 4.893 10.398 ( 2.329 0.000 -3.067) 3.851 10.501 ( 3.003 0.000 -4.003) 5.005 10.530 ( -0.028 0.000 -2.144) 2.144 10.656 ( 2.130 0.000 5.659) 6.047 10.916 ( -0.667 0.000 -1.075) 1.265 11.000 ( -0.652 0.000 2.671) 2.749 11.058 ( -2.633 0.000 -3.409) 4.307 11.190 ( 0.736 0.000 1.480) 1.653 11.247 ( 1.935 0.000 -7.143) 7.400 11.278 ( 2.017 0.000 -1.270) 2.384 11.304 ( 1.532 0.000 -0.639) 1.660 11.424 ( -2.475 0.000 5.109) 5.677 11.483 ( -2.646 0.000 1.008) 2.832 11.524 ( 0.601 0.000 1.992) 2.081 11.544 ( -1.160 0.000 -0.485) 1.257 11.619 ( 0.219 0.000 3.487) 3.494 11.647 ( -0.787 0.000 3.088) 3.186 11.761 ( 2.068 0.000 -2.415) 3.180 11.782 ( 0.828 0.000 -1.235) 1.487 11.841 ( -2.159 0.000 2.987) 3.685 12.009 ( -1.396 0.000 0.728) 1.574 12.768 ( 1.432 0.000 2.977) 3.303 12.893 ( 1.715 0.000 2.015) 2.646 12.956 ( 1.994 0.000 -2.937) 3.550 13.080 ( -4.196 0.000 -0.999) 4.313 13.970 ( 0.663 0.000 3.227) 3.295 14.239 ( -2.081 0.000 -3.194) 3.812 14.364 ( 0.028 0.000 1.842) 1.843 14.477 ( -0.264 0.000 -0.632) 0.685 14.786 ( 0.159 0.000 1.064) 1.076 14.903 ( 0.058 0.000 -1.697) 1.698 15.037 ( -0.877 0.000 2.391) 2.547 15.309 ( 1.543 0.000 -3.904) 4.198 16.565 ( -0.041 0.000 0.070) 0.081 16.572 ( -0.462 0.000 0.563) 0.728 16.659 ( -0.075 0.000 -0.530) 0.536 16.666 ( 0.711 0.000 -0.810) 1.078 16.721 ( 0.900 0.000 1.012) 1.354 16.735 ( -0.529 0.000 -0.186) 0.560 17.149 ( -0.277 0.000 1.806) 1.827 17.355 ( -0.184 0.000 -2.329) 2.337 22.926 ( 2.566 0.000 -2.074) 3.299 22.954 ( -0.887 0.000 -4.566) 4.651 23.186 ( 2.052 0.000 -0.843) 2.219 23.408 ( -3.946 0.000 4.799) 6.213 23.435 ( 6.377 0.000 -7.409) 9.775 23.528 ( 2.762 0.000 4.538) 5.312 23.707 ( -1.209 0.000 7.458) 7.556 23.751 ( -4.434 0.000 7.372) 8.603 23.845 ( 1.605 0.000 5.286) 5.524 23.919 ( -0.192 0.000 1.160) 1.176 24.219 ( 2.660 0.000 -0.141) 2.664 24.295 ( -3.399 0.000 -3.328) 4.757 24.416 ( -1.059 0.000 -2.026) 2.286 24.854 ( -3.009 0.000 -6.664) 7.312 24.904 ( 7.812 0.000 2.603) 8.235 24.922 ( -1.734 0.000 4.824) 5.126 25.668 ( 3.688 0.000 0.862) 3.787 25.790 ( 1.049 0.000 3.418) 3.576 25.821 ( 3.208 0.000 1.867) 3.712 25.898 ( -8.296 0.000 -2.834) 8.767 26.311 ( -0.289 0.000 -12.983) 12.986 26.490 ( -0.235 0.000 -17.695) 17.697 27.032 ( 4.386 0.000 12.393) 13.146 27.324 ( -7.801 0.000 5.450) 9.517 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -15.628 0.000 -1.502) 15.700 1.619 ( -20.481 0.000 -7.093) 21.674 1.777 ( 2.130 0.000 -10.786) 10.995 1.885 ( 2.094 0.000 9.459) 9.688 1.919 ( -7.398 0.000 0.788) 7.440 2.101 ( 3.582 0.000 1.575) 3.913 2.211 ( 7.122 0.000 -7.662) 10.461 2.296 ( 0.816 0.000 0.832) 1.165 2.398 ( -10.532 0.000 -4.103) 11.303 2.499 ( -4.202 0.000 -2.593) 4.938 2.506 ( 9.968 0.000 3.064) 10.429 2.764 ( 7.354 0.000 -16.817) 18.354 2.779 ( -1.496 0.000 -3.724) 4.013 2.860 ( -2.318 0.000 3.820) 4.469 2.916 ( -8.822 0.000 4.678) 9.986 2.973 ( -5.889 0.000 -7.115) 9.237 3.047 ( 6.581 0.000 -6.548) 9.284 3.091 ( -2.313 0.000 7.626) 7.969 3.121 ( 0.480 0.000 -0.927) 1.043 3.277 ( 2.224 0.000 -4.532) 5.048 3.285 ( 1.901 0.000 0.277) 1.921 3.300 ( 4.125 0.000 1.865) 4.527 3.427 ( 12.054 0.000 7.488) 14.190 3.453 ( 3.044 0.000 5.014) 5.866 3.514 ( 1.191 0.000 7.688) 7.779 3.544 ( -4.793 0.000 6.312) 7.926 3.593 ( -0.828 0.000 -3.634) 3.727 3.629 ( -2.988 0.000 -4.792) 5.647 3.689 ( -1.943 0.000 0.631) 2.043 3.784 ( -4.162 0.000 -4.345) 6.016 3.929 ( -8.523 0.000 3.003) 9.037 3.962 ( 0.365 0.000 2.181) 2.211 4.011 ( -1.325 0.000 2.599) 2.917 4.044 ( -4.345 0.000 4.518) 6.269 4.268 ( -6.246 0.000 1.306) 6.381 4.302 ( -1.083 0.000 -5.273) 5.383 4.383 ( -3.463 0.000 6.022) 6.947 4.395 ( 0.903 0.000 1.793) 2.007 4.456 ( -5.559 0.000 1.166) 5.680 4.466 ( -6.938 0.000 2.645) 7.426 4.543 ( 0.103 0.000 1.324) 1.328 4.603 ( 2.717 0.000 1.295) 3.010 4.662 ( 2.291 0.000 -1.143) 2.560 4.779 ( 2.112 0.000 -5.049) 5.473 4.907 ( -14.394 0.000 3.906) 14.914 4.910 ( 0.501 0.000 -5.564) 5.587 4.926 ( 1.052 0.000 -1.190) 1.589 4.971 ( 0.222 0.000 3.515) 3.522 5.081 ( -8.151 0.000 9.158) 12.260 5.163 ( 3.448 0.000 0.176) 3.452 5.178 ( 2.136 0.000 5.017) 5.453 5.238 ( -0.027 0.000 -6.091) 6.091 5.295 ( 0.642 0.000 -0.338) 0.726 5.380 ( -1.375 0.000 -0.372) 1.425 5.426 ( 7.009 0.000 3.835) 7.990 5.514 ( -2.111 0.000 -5.848) 6.217 5.585 ( -1.820 0.000 -3.960) 4.358 5.599 ( 1.888 0.000 4.470) 4.852 5.659 ( 12.419 0.000 -4.191) 13.107 5.795 ( 3.846 0.000 15.911) 16.369 5.800 ( 1.071 0.000 3.175) 3.351 5.836 ( -1.716 0.000 -12.116) 12.237 5.876 ( -0.111 0.000 1.338) 1.343 5.936 ( -7.352 0.000 -1.532) 7.510 6.047 ( -3.296 0.000 -2.069) 3.892 6.091 ( -0.014 0.000 -4.063) 4.063 6.145 ( -3.370 0.000 5.319) 6.296 6.227 ( 4.370 0.000 5.117) 6.729 6.310 ( -3.756 0.000 1.397) 4.008 6.340 ( 4.063 0.000 -5.858) 7.129 6.359 ( -2.005 0.000 -0.023) 2.005 6.393 ( -0.575 0.000 0.614) 0.841 6.489 ( 1.689 0.000 -3.069) 3.504 6.503 ( 4.301 0.000 -1.400) 4.523 6.587 ( 6.908 0.000 3.733) 7.852 6.691 ( -3.933 0.000 -5.726) 6.947 6.695 ( -0.382 0.000 -2.374) 2.404 6.811 ( 2.586 0.000 1.845) 3.176 6.906 ( 1.647 0.000 -0.277) 1.670 7.087 ( 4.354 0.000 -0.852) 4.436 7.093 ( -3.626 0.000 -6.635) 7.561 7.219 ( 7.305 0.000 -0.751) 7.344 7.316 ( 0.758 0.000 3.810) 3.884 7.422 ( 2.012 0.000 -5.382) 5.746 7.504 ( 0.303 0.000 -0.158) 0.341 7.825 ( -1.660 0.000 -2.439) 2.951 7.929 ( 0.553 0.000 0.361) 0.660 8.064 ( 1.441 0.000 -2.111) 2.556 8.195 ( 4.560 0.000 -3.074) 5.500 8.242 ( 0.690 0.000 -0.980) 1.199 8.292 ( -0.871 0.000 4.257) 4.346 8.293 ( -2.265 0.000 4.538) 5.072 8.437 ( 4.059 0.000 -0.052) 4.060 8.475 ( -4.239 0.000 8.102) 9.144 8.500 ( -1.485 0.000 -4.186) 4.442 8.701 ( -2.703 0.000 0.663) 2.783 8.778 ( 0.950 0.000 1.181) 1.516 8.925 ( 1.878 0.000 -1.061) 2.157 9.068 ( -2.022 0.000 3.964) 4.450 9.265 ( 1.622 0.000 -0.562) 1.717 9.932 ( 0.671 0.000 -2.260) 2.357 10.166 ( -1.010 0.000 -7.006) 7.079 10.215 ( -2.183 0.000 4.159) 4.697 10.421 ( 0.339 0.000 -3.579) 3.595 10.536 ( 1.111 0.000 1.811) 2.124 10.559 ( 3.429 0.000 -2.478) 4.231 10.700 ( 1.719 0.000 3.853) 4.219 10.912 ( 0.424 0.000 -3.793) 3.817 11.003 ( -2.268 0.000 -0.766) 2.394 11.007 ( 1.140 0.000 3.454) 3.638 11.186 ( -0.614 0.000 -0.767) 0.983 11.297 ( -0.788 0.000 -4.261) 4.333 11.314 ( 4.937 0.000 -4.683) 6.804 11.332 ( 0.985 0.000 -1.343) 1.665 11.367 ( -2.862 0.000 7.615) 8.135 11.432 ( -2.391 0.000 1.696) 2.931 11.532 ( -0.797 0.000 1.135) 1.387 11.563 ( 2.804 0.000 -1.007) 2.979 11.625 ( 0.466 0.000 2.532) 2.574 11.634 ( -1.148 0.000 3.601) 3.780 11.787 ( -0.432 0.000 -0.157) 0.460 11.812 ( 3.516 0.000 -2.448) 4.285 11.825 ( 0.078 0.000 1.888) 1.889 11.978 ( -1.377 0.000 0.110) 1.382 12.791 ( 0.406 0.000 2.487) 2.520 12.948 ( 4.037 0.000 6.462) 7.619 12.965 ( -0.022 0.000 -1.838) 1.838 13.067 ( 2.342 0.000 -4.465) 5.042 13.988 ( 0.719 0.000 4.115) 4.177 14.184 ( -3.235 0.000 -4.582) 5.609 14.350 ( -1.644 0.000 1.796) 2.435 14.440 ( -3.388 0.000 -0.712) 3.462 14.784 ( -0.447 0.000 1.264) 1.341 14.899 ( -0.183 0.000 -1.767) 1.776 15.001 ( -3.044 0.000 1.769) 3.521 15.329 ( 1.064 0.000 -3.687) 3.837 16.560 ( -0.786 0.000 0.233) 0.819 16.563 ( -0.074 0.000 -0.031) 0.081 16.655 ( -0.332 0.000 -0.519) 0.616 16.670 ( -0.406 0.000 -0.081) 0.414 16.725 ( -0.239 0.000 -0.835) 0.868 16.733 ( 0.135 0.000 1.695) 1.700 17.140 ( -0.882 0.000 1.930) 2.122 17.353 ( 0.237 0.000 -2.564) 2.574 22.934 ( -0.341 0.000 -4.090) 4.105 22.954 ( 0.260 0.000 0.005) 0.260 23.255 ( 5.234 0.000 -3.723) 6.423 23.380 ( 0.614 0.000 1.445) 1.570 23.577 ( 8.837 0.000 -5.399) 10.355 23.584 ( 0.646 0.000 10.814) 10.833 23.660 ( -5.289 0.000 6.538) 8.410 23.707 ( 2.115 0.000 4.655) 5.113 23.895 ( -2.175 0.000 1.033) 2.408 23.896 ( 2.644 0.000 5.099) 5.744 24.240 ( -1.478 0.000 -4.557) 4.791 24.290 ( 4.331 0.000 0.880) 4.419 24.436 ( 3.737 0.000 -0.368) 3.755 24.819 ( 0.559 0.000 -3.472) 3.517 24.869 ( -4.239 0.000 3.881) 5.747 25.086 ( 9.358 0.000 0.691) 9.383 25.697 ( -0.091 0.000 6.385) 6.385 25.702 ( -10.467 0.000 -4.496) 11.391 25.830 ( -2.618 0.000 1.528) 3.032 25.837 ( 2.005 0.000 3.043) 3.644 26.325 ( 2.822 0.000 -12.384) 12.701 26.434 ( -3.140 0.000 -22.799) 23.014 27.123 ( 3.378 0.000 14.388) 14.780 27.192 ( -6.429 0.000 2.792) 7.009 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -18.829 0.000 2.922) 19.054 1.172 ( -23.669 0.000 4.272) 24.051 1.787 ( -2.954 0.000 -5.481) 6.227 1.825 ( 0.185 0.000 -2.984) 2.989 1.931 ( 2.488 0.000 0.565) 2.551 2.088 ( -10.518 0.000 9.360) 14.080 2.184 ( -8.827 0.000 -1.388) 8.935 2.282 ( -4.309 0.000 -3.334) 5.448 2.362 ( 5.851 0.000 -4.498) 7.380 2.433 ( -26.030 0.000 16.247) 30.684 2.478 ( 2.784 0.000 -1.690) 3.257 2.696 ( -8.760 0.000 -2.374) 9.076 2.728 ( 11.199 0.000 4.625) 12.117 2.785 ( -3.736 0.000 -0.797) 3.820 2.876 ( -1.276 0.000 -13.720) 13.779 2.879 ( 2.279 0.000 3.840) 4.465 3.071 ( -0.325 0.000 5.623) 5.632 3.138 ( 2.893 0.000 -9.416) 9.851 3.139 ( 0.162 0.000 2.785) 2.790 3.268 ( -1.685 0.000 3.022) 3.460 3.302 ( -6.736 0.000 4.480) 8.090 3.365 ( 5.791 0.000 0.831) 5.850 3.375 ( -3.627 0.000 -3.167) 4.816 3.528 ( 0.604 0.000 -1.505) 1.622 3.549 ( 0.596 0.000 -2.902) 2.963 3.574 ( -0.183 0.000 -0.247) 0.308 3.622 ( 3.891 0.000 -2.170) 4.455 3.636 ( 5.312 0.000 2.214) 5.755 3.758 ( 0.576 0.000 -2.821) 2.879 3.787 ( 6.832 0.000 2.440) 7.255 3.860 ( 2.744 0.000 4.305) 5.106 3.943 ( -5.059 0.000 1.705) 5.339 4.012 ( -0.249 0.000 1.014) 1.044 4.091 ( -10.070 0.000 -0.379) 10.077 4.125 ( 6.893 0.000 10.973) 12.958 4.188 ( -3.758 0.000 1.661) 4.109 4.281 ( -10.461 0.000 0.068) 10.461 4.339 ( -5.624 0.000 -6.084) 8.285 4.363 ( -3.895 0.000 0.016) 3.895 4.387 ( 2.962 0.000 -2.434) 3.834 4.576 ( 2.681 0.000 -1.062) 2.883 4.640 ( 1.238 0.000 -10.004) 10.080 4.671 ( -6.353 0.000 12.673) 14.176 4.700 ( -2.367 0.000 -4.395) 4.992 4.836 ( 3.269 0.000 -3.900) 5.089 4.906 ( -1.651 0.000 6.996) 7.188 4.917 ( -1.687 0.000 1.521) 2.272 4.967 ( -0.653 0.000 -17.947) 17.959 4.987 ( 0.614 0.000 2.225) 2.308 5.142 ( -5.720 0.000 4.587) 7.332 5.172 ( -0.247 0.000 -4.423) 4.430 5.223 ( -1.009 0.000 1.024) 1.438 5.324 ( 2.228 0.000 -0.453) 2.274 5.428 ( -9.145 0.000 -0.580) 9.163 5.443 ( 5.102 0.000 2.099) 5.517 5.465 ( -2.084 0.000 -5.855) 6.215 5.597 ( 2.137 0.000 0.580) 2.214 5.603 ( -1.169 0.000 1.529) 1.925 5.733 ( -0.536 0.000 -14.073) 14.083 5.826 ( -0.861 0.000 8.741) 8.783 5.827 ( 5.416 0.000 -1.500) 5.620 5.852 ( 1.561 0.000 6.353) 6.542 5.873 ( -5.103 0.000 3.720) 6.315 5.916 ( 3.536 0.000 3.799) 5.190 6.044 ( 5.982 0.000 -2.791) 6.601 6.071 ( -1.892 0.000 -1.275) 2.282 6.165 ( 2.648 0.000 5.616) 6.209 6.232 ( -1.169 0.000 0.970) 1.519 6.308 ( 2.577 0.000 5.687) 6.244 6.351 ( 1.360 0.000 1.169) 1.793 6.382 ( -0.756 0.000 0.317) 0.820 6.417 ( 4.769 0.000 -0.765) 4.830 6.496 ( -1.074 0.000 -7.362) 7.439 6.574 ( 1.790 0.000 2.010) 2.691 6.618 ( -1.216 0.000 -5.055) 5.200 6.710 ( 6.881 0.000 -2.277) 7.248 6.781 ( 6.352 0.000 -0.825) 6.406 6.898 ( 4.608 0.000 2.498) 5.241 6.900 ( -1.753 0.000 2.119) 2.750 7.046 ( 0.046 0.000 -4.845) 4.845 7.141 ( 1.028 0.000 1.758) 2.037 7.335 ( 0.725 0.000 1.764) 1.907 7.337 ( 4.776 0.000 0.170) 4.779 7.453 ( 0.789 0.000 -6.501) 6.548 7.476 ( -2.809 0.000 -1.376) 3.128 7.787 ( -1.669 0.000 -0.175) 1.678 7.956 ( 1.459 0.000 1.519) 2.106 8.055 ( -3.097 0.000 -1.100) 3.286 8.181 ( -6.509 0.000 6.219) 9.002 8.249 ( 1.438 0.000 -0.293) 1.468 8.301 ( 1.241 0.000 0.601) 1.379 8.311 ( 2.895 0.000 -3.876) 4.838 8.381 ( -3.374 0.000 3.884) 5.144 8.471 ( -0.857 0.000 -1.735) 1.935 8.526 ( 3.199 0.000 2.550) 4.091 8.677 ( 0.316 0.000 -2.368) 2.389 8.812 ( 2.360 0.000 0.096) 2.362 8.951 ( 1.046 0.000 -0.761) 1.294 9.037 ( -1.501 0.000 4.167) 4.429 9.298 ( 1.540 0.000 -0.734) 1.706 9.933 ( -0.426 0.000 -0.518) 0.670 10.140 ( -0.653 0.000 -7.011) 7.041 10.181 ( -1.724 0.000 2.812) 3.298 10.410 ( -0.557 0.000 -3.773) 3.813 10.577 ( 2.151 0.000 6.272) 6.631 10.617 ( 2.075 0.000 1.848) 2.778 10.736 ( 2.083 0.000 4.443) 4.907 10.910 ( -0.118 0.000 -6.774) 6.775 10.992 ( 1.466 0.000 1.138) 1.856 11.044 ( 1.513 0.000 3.725) 4.020 11.188 ( 1.660 0.000 -3.994) 4.325 11.235 ( -3.898 0.000 -0.297) 3.910 11.324 ( -1.072 0.000 -1.349) 1.723 11.359 ( 0.192 0.000 4.157) 4.161 11.361 ( -1.114 0.000 0.406) 1.186 11.438 ( 3.934 0.000 -1.957) 4.394 11.513 ( -1.160 0.000 1.636) 2.006 11.607 ( -1.995 0.000 2.667) 3.331 11.615 ( 2.434 0.000 -1.208) 2.717 11.651 ( 1.914 0.000 -0.101) 1.917 11.766 ( -1.353 0.000 1.221) 1.823 11.837 ( 0.606 0.000 1.332) 1.464 11.888 ( 4.573 0.000 -2.515) 5.219 11.971 ( 0.635 0.000 -0.881) 1.086 12.789 ( -0.739 0.000 1.422) 1.602 12.994 ( 3.582 0.000 -1.622) 3.932 13.082 ( 9.117 0.000 14.043) 16.743 13.107 ( 1.911 0.000 -6.776) 7.040 14.003 ( 0.097 0.000 4.648) 4.649 14.100 ( -5.079 0.000 -5.895) 7.781 14.308 ( -2.846 0.000 1.393) 3.169 14.355 ( -4.954 0.000 -0.456) 4.975 14.776 ( -0.443 0.000 1.472) 1.537 14.894 ( -0.088 0.000 -1.799) 1.802 14.933 ( -3.980 0.000 1.362) 4.206 15.335 ( -0.144 0.000 -5.392) 5.394 16.546 ( -0.620 0.000 -0.036) 0.621 16.564 ( 0.247 0.000 -0.305) 0.393 16.647 ( -0.400 0.000 -0.426) 0.585 16.650 ( -1.460 0.000 0.308) 1.492 16.727 ( 0.470 0.000 -0.917) 1.031 16.731 ( -0.607 0.000 2.184) 2.267 17.123 ( -1.137 0.000 2.399) 2.655 17.358 ( 0.591 0.000 -2.734) 2.797 22.933 ( 0.736 0.000 -3.688) 3.761 22.941 ( -1.448 0.000 1.914) 2.400 23.363 ( 5.990 0.000 -5.819) 8.351 23.407 ( 1.102 0.000 0.353) 1.157 23.540 ( -6.652 0.000 6.554) 9.339 23.582 ( -0.493 0.000 11.815) 11.826 23.783 ( 11.110 0.000 -3.583) 11.674 23.815 ( 7.291 0.000 7.205) 10.251 23.878 ( 1.911 0.000 -2.537) 3.176 23.952 ( 2.883 0.000 2.585) 3.873 24.236 ( 1.618 0.000 -3.913) 4.235 24.365 ( 3.276 0.000 -0.577) 3.327 24.570 ( 8.899 0.000 3.096) 9.422 24.780 ( -4.491 0.000 4.228) 6.168 24.836 ( 0.648 0.000 -1.752) 1.868 25.238 ( 5.909 0.000 -2.493) 6.413 25.505 ( -9.111 0.000 -5.698) 10.746 25.684 ( -3.352 0.000 12.550) 12.990 25.742 ( -5.920 0.000 4.897) 7.683 25.847 ( -1.027 0.000 0.547) 1.164 26.298 ( -8.580 0.000 -30.196) 31.392 26.375 ( 3.811 0.000 -12.822) 13.377 27.099 ( -2.594 0.000 3.685) 4.506 27.194 ( 1.855 0.000 15.158) 15.271 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -12.188 0.000 14.648) 19.055 0.799 ( -14.475 0.000 24.375) 28.349 1.473 ( -38.418 0.000 28.300) 47.717 1.728 ( -1.834 0.000 -5.385) 5.688 1.929 ( -0.305 0.000 -3.563) 3.576 1.950 ( -5.652 0.000 4.970) 7.527 2.051 ( 0.206 0.000 -11.555) 11.557 2.073 ( -4.636 0.000 12.982) 13.785 2.354 ( 2.211 0.000 -2.765) 3.541 2.456 ( 4.946 0.000 -1.375) 5.133 2.543 ( 1.592 0.000 -2.113) 2.646 2.574 ( -3.139 0.000 -1.677) 3.559 2.722 ( -1.371 0.000 5.668) 5.831 2.747 ( -3.741 0.000 -8.273) 9.080 2.935 ( 1.689 0.000 1.889) 2.534 2.979 ( -3.157 0.000 -0.607) 3.214 2.994 ( -8.231 0.000 8.236) 11.644 3.084 ( 4.909 0.000 2.696) 5.601 3.164 ( 1.257 0.000 3.960) 4.155 3.241 ( 1.547 0.000 -2.718) 3.127 3.280 ( 3.201 0.000 -3.163) 4.500 3.355 ( -1.138 0.000 0.180) 1.152 3.406 ( -6.425 0.000 5.712) 8.597 3.492 ( -2.010 0.000 -5.351) 5.716 3.515 ( 1.470 0.000 -7.545) 7.687 3.576 ( -1.417 0.000 -1.653) 2.177 3.638 ( -2.333 0.000 -0.280) 2.350 3.699 ( 3.055 0.000 -5.815) 6.569 3.702 ( -2.936 0.000 -0.905) 3.072 3.880 ( -1.906 0.000 5.407) 5.733 3.904 ( 1.205 0.000 3.529) 3.729 3.965 ( 3.533 0.000 2.445) 4.297 3.971 ( -1.719 0.000 -1.306) 2.159 4.037 ( 0.601 0.000 -0.317) 0.679 4.063 ( -1.549 0.000 -0.846) 1.765 4.101 ( -4.797 0.000 1.289) 4.967 4.233 ( -2.967 0.000 -4.028) 5.003 4.298 ( 1.505 0.000 -0.140) 1.512 4.362 ( 4.230 0.000 3.392) 5.422 4.480 ( 6.031 0.000 -2.089) 6.382 4.590 ( -0.923 0.000 3.159) 3.291 4.596 ( -3.434 0.000 3.984) 5.260 4.646 ( -1.942 0.000 -6.831) 7.102 4.691 ( 4.301 0.000 -4.443) 6.183 4.839 ( -1.311 0.000 -4.700) 4.879 4.879 ( 1.215 0.000 -12.351) 12.411 4.891 ( -1.027 0.000 2.389) 2.600 4.969 ( 0.973 0.000 -0.628) 1.158 5.005 ( -2.092 0.000 0.226) 2.104 5.041 ( -1.041 0.000 2.994) 3.169 5.183 ( 0.204 0.000 -5.924) 5.928 5.250 ( 4.569 0.000 -1.049) 4.688 5.290 ( -3.770 0.000 1.116) 3.932 5.364 ( 2.060 0.000 0.240) 2.074 5.403 ( -4.191 0.000 -2.498) 4.880 5.527 ( 2.292 0.000 -0.271) 2.308 5.550 ( -3.060 0.000 0.420) 3.089 5.587 ( 1.336 0.000 1.457) 1.977 5.718 ( 0.217 0.000 -8.121) 8.124 5.782 ( -10.280 0.000 4.885) 11.382 5.792 ( -2.121 0.000 1.725) 2.733 5.872 ( -0.910 0.000 0.096) 0.915 5.881 ( 3.207 0.000 4.903) 5.858 5.952 ( 4.455 0.000 0.903) 4.546 6.146 ( 5.916 0.000 3.137) 6.696 6.168 ( 2.793 0.000 2.778) 3.939 6.231 ( 6.860 0.000 -0.208) 6.863 6.262 ( 1.784 0.000 3.725) 4.130 6.333 ( -0.282 0.000 3.125) 3.138 6.361 ( -1.258 0.000 -1.087) 1.663 6.392 ( -3.972 0.000 -7.039) 8.083 6.427 ( 2.848 0.000 2.570) 3.836 6.526 ( 3.904 0.000 -0.466) 3.932 6.582 ( -0.901 0.000 3.326) 3.446 6.638 ( 2.923 0.000 -6.016) 6.689 6.817 ( 1.771 0.000 -7.037) 7.257 6.820 ( 0.108 0.000 5.708) 5.709 6.892 ( 0.776 0.000 1.049) 1.305 6.948 ( -0.966 0.000 1.956) 2.182 7.106 ( -6.964 0.000 -2.114) 7.277 7.123 ( 8.145 0.000 -1.962) 8.378 7.345 ( 0.176 0.000 -0.888) 0.905 7.417 ( 5.178 0.000 5.088) 7.260 7.424 ( -1.560 0.000 1.303) 2.033 7.429 ( -0.708 0.000 0.408) 0.817 7.767 ( -0.423 0.000 1.958) 2.004 7.959 ( -2.003 0.000 0.389) 2.040 7.965 ( -4.499 0.000 -2.653) 5.223 8.048 ( -7.372 0.000 8.782) 11.466 8.275 ( -2.601 0.000 6.294) 6.811 8.277 ( 1.693 0.000 -3.995) 4.339 8.359 ( 2.608 0.000 -4.953) 5.598 8.406 ( 4.056 0.000 -4.025) 5.714 8.472 ( 0.743 0.000 2.036) 2.167 8.572 ( 1.324 0.000 2.366) 2.712 8.688 ( 0.783 0.000 -4.146) 4.219 8.853 ( 1.612 0.000 -0.330) 1.646 8.953 ( -0.836 0.000 -2.866) 2.986 9.047 ( 2.422 0.000 6.220) 6.675 9.313 ( 0.071 0.000 -0.758) 0.761 9.918 ( -1.012 0.000 0.907) 1.359 10.128 ( 0.458 0.000 -7.411) 7.425 10.160 ( -0.589 0.000 1.433) 1.549 10.402 ( 0.317 0.000 -3.329) 3.344 10.602 ( -0.766 0.000 6.500) 6.545 10.610 ( -3.804 0.000 8.062) 8.914 10.816 ( 4.771 0.000 6.045) 7.701 10.903 ( 0.709 0.000 -4.808) 4.860 11.049 ( 3.291 0.000 -2.179) 3.947 11.061 ( 0.936 0.000 -1.212) 1.531 11.183 ( -0.920 0.000 0.877) 1.271 11.235 ( 2.324 0.000 -1.202) 2.617 11.306 ( -0.627 0.000 0.165) 0.648 11.331 ( -1.249 0.000 -0.521) 1.353 11.378 ( 1.838 0.000 0.720) 1.974 11.493 ( -1.183 0.000 1.677) 2.052 11.496 ( 0.545 0.000 3.445) 3.488 11.588 ( 1.083 0.000 -3.207) 3.385 11.649 ( 1.507 0.000 0.376) 1.553 11.690 ( 1.991 0.000 -1.012) 2.234 11.756 ( 0.323 0.000 1.191) 1.234 11.840 ( -0.597 0.000 1.109) 1.259 11.968 ( 3.655 0.000 -2.341) 4.340 11.987 ( 0.815 0.000 -1.496) 1.703 12.772 ( -1.054 0.000 0.972) 1.434 13.094 ( 5.006 0.000 -3.792) 6.280 13.118 ( 1.910 0.000 -4.801) 5.167 13.347 ( 14.222 0.000 14.336) 20.194 13.977 ( -4.896 0.000 -3.092) 5.791 13.999 ( -1.147 0.000 4.516) 4.659 14.254 ( -2.615 0.000 0.792) 2.732 14.267 ( -3.642 0.000 -0.174) 3.646 14.775 ( 0.267 0.000 1.619) 1.640 14.862 ( -3.214 0.000 1.143) 3.411 14.892 ( 0.111 0.000 -1.753) 1.756 15.277 ( -6.735 0.000 -10.693) 12.637 16.538 ( -0.075 0.000 -0.129) 0.150 16.571 ( 0.327 0.000 -1.134) 1.180 16.623 ( -1.245 0.000 0.410) 1.311 16.640 ( -0.173 0.000 -0.332) 0.374 16.715 ( -1.424 0.000 2.060) 2.504 16.737 ( 0.545 0.000 -0.589) 0.802 17.109 ( -0.354 0.000 3.628) 3.645 17.367 ( 0.727 0.000 -2.674) 2.771 22.913 ( -1.572 0.000 1.941) 2.497 22.951 ( 1.638 0.000 -3.033) 3.447 23.411 ( -0.910 0.000 2.652) 2.804 23.422 ( -5.619 0.000 4.765) 7.367 23.432 ( 1.820 0.000 -3.976) 4.373 23.647 ( 5.579 0.000 7.274) 9.167 23.907 ( 4.593 0.000 -3.544) 5.801 23.939 ( 2.996 0.000 1.968) 3.585 24.044 ( 12.155 0.000 -3.491) 12.646 24.078 ( 12.071 0.000 7.117) 14.012 24.279 ( 2.682 0.000 -3.189) 4.167 24.399 ( -1.440 0.000 -2.267) 2.686 24.575 ( -9.348 0.000 -4.261) 10.274 24.810 ( -3.448 0.000 -1.909) 3.942 24.867 ( 8.864 0.000 -0.781) 8.898 25.284 ( -1.528 0.000 -4.290) 4.554 25.349 ( -4.931 0.000 -5.944) 7.723 25.536 ( -16.067 0.000 3.879) 16.529 25.676 ( -0.724 0.000 8.727) 8.757 25.818 ( -1.985 0.000 -2.733) 3.378 26.006 ( -13.454 0.000 -12.593) 18.429 26.433 ( 3.774 0.000 -13.357) 13.880 27.188 ( 14.505 0.000 11.925) 18.778 27.219 ( -1.531 0.000 14.197) 14.279 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -12.067 18.877 16.713) 27.951 0.857 ( -10.559 13.077 27.018) 31.819 1.309 ( 11.389 16.981 30.172) 36.447 1.690 ( -9.977 -3.067 -1.172) 10.503 1.749 ( -4.273 6.248 -3.768) 8.455 1.913 ( 0.291 -3.278 2.701) 4.257 2.046 ( -1.071 4.961 0.653) 5.118 2.136 ( 3.017 -4.041 -1.922) 5.397 2.367 ( -0.220 -0.340 -4.549) 4.567 2.473 ( -0.810 -0.618 -3.549) 3.692 2.539 ( 4.757 4.225 -7.703) 9.991 2.568 ( 4.781 -10.307 5.043) 12.431 2.672 ( -5.035 -1.735 -9.406) 10.809 2.768 ( -2.873 -1.606 5.585) 6.483 2.812 ( 2.335 5.156 4.981) 7.540 2.887 ( 1.567 2.080 1.685) 3.102 3.027 ( -0.182 -0.913 -2.832) 2.981 3.129 ( 3.967 -4.089 5.664) 8.033 3.163 ( -3.051 2.944 -2.318) 4.832 3.196 ( -5.232 -1.582 -1.222) 5.601 3.308 ( -3.709 2.009 -1.157) 4.374 3.346 ( 3.332 0.214 -1.824) 3.805 3.398 ( 1.076 -4.314 -1.498) 4.691 3.465 ( 4.092 -1.242 2.521) 4.964 3.523 ( -4.510 -4.469 3.547) 7.273 3.609 ( 0.663 0.092 -0.675) 0.950 3.668 ( -4.106 -0.025 -4.448) 6.053 3.678 ( 2.646 8.560 -3.302) 9.548 3.750 ( 4.013 -2.414 -4.342) 6.386 3.802 ( -0.872 -0.354 -5.636) 5.714 3.850 ( -0.522 -2.226 2.518) 3.401 3.898 ( -0.067 4.754 2.512) 5.377 3.966 ( -2.141 1.603 -2.123) 3.415 4.096 ( -0.942 -1.532 -2.370) 2.975 4.111 ( -3.814 3.201 2.952) 5.789 4.179 ( 1.329 7.561 0.922) 7.732 4.234 ( -3.125 2.251 -3.084) 4.934 4.327 ( 1.025 5.055 -0.867) 5.231 4.406 ( 0.173 -3.864 -0.745) 3.939 4.484 ( 2.350 -5.868 2.288) 6.722 4.555 ( 3.083 -1.044 2.884) 4.349 4.587 ( -3.252 1.841 -2.827) 4.685 4.646 ( 3.116 1.526 -4.263) 5.497 4.729 ( -2.243 -7.154 -3.564) 8.302 4.821 ( 2.441 3.778 3.035) 5.427 4.856 ( 3.536 -4.085 -1.955) 5.746 4.938 ( 3.642 -4.127 3.550) 6.550 5.005 ( 3.663 6.583 -1.939) 7.779 5.055 ( 2.288 1.856 0.400) 2.973 5.122 ( 0.935 2.074 -0.035) 2.276 5.175 ( -4.165 -0.987 -4.138) 5.953 5.222 ( 3.962 1.731 -6.158) 7.525 5.336 ( 1.543 -0.650 -3.551) 3.926 5.344 ( 0.442 -1.120 -1.687) 2.073 5.418 ( 1.020 1.145 0.832) 1.745 5.493 ( 0.381 -2.206 1.297) 2.587 5.521 ( 0.761 -3.999 0.287) 4.081 5.575 ( -4.444 -1.427 -0.723) 4.723 5.612 ( 1.377 -5.344 -1.498) 5.718 5.730 ( 0.351 0.197 -0.484) 0.630 5.811 ( 0.255 -2.193 -1.991) 2.973 5.884 ( 1.998 0.700 1.794) 2.775 5.941 ( 1.821 2.051 -0.158) 2.747 6.046 ( -2.172 -4.462 4.811) 6.912 6.099 ( 0.077 -7.166 -0.091) 7.167 6.125 ( 3.988 4.098 -2.462) 6.226 6.272 ( -1.646 1.542 7.004) 7.358 6.291 ( 2.022 3.496 -0.049) 4.039 6.337 ( -4.842 5.427 -4.492) 8.548 6.345 ( -0.206 1.251 3.458) 3.683 6.397 ( -3.540 2.201 0.591) 4.210 6.502 ( -0.570 0.597 -0.578) 1.008 6.533 ( -1.941 0.748 0.729) 2.204 6.613 ( 3.425 -0.809 -4.900) 6.032 6.696 ( 1.203 -0.795 2.747) 3.102 6.787 ( -3.381 2.687 -3.763) 5.728 6.816 ( -3.284 -0.238 0.587) 3.344 6.883 ( 0.679 1.468 4.068) 4.378 6.983 ( -1.794 1.843 -0.817) 2.699 7.018 ( 3.043 3.504 1.465) 4.867 7.257 ( 3.767 -2.995 1.667) 5.093 7.293 ( -2.716 -0.222 0.812) 2.843 7.387 ( 1.529 0.740 0.818) 1.885 7.470 ( 3.461 -0.202 3.750) 5.107 7.619 ( 0.221 -2.718 -6.155) 6.732 7.756 ( 9.851 -6.919 6.209) 13.545 7.791 ( -1.718 -2.751 0.913) 3.369 7.908 ( -6.217 -0.321 1.213) 6.342 8.091 ( 3.162 2.873 0.242) 4.279 8.211 ( 0.329 -2.815 1.602) 3.256 8.303 ( -2.550 -0.016 -1.982) 3.229 8.366 ( 2.219 -1.272 0.257) 2.571 8.459 ( -1.651 -1.057 1.822) 2.676 8.551 ( -0.553 0.200 -1.029) 1.185 8.571 ( 2.940 4.912 -0.492) 5.745 8.734 ( 1.212 2.470 -3.213) 4.230 8.854 ( -0.075 -0.975 -0.828) 1.282 8.916 ( -1.126 -1.043 -2.622) 3.038 9.060 ( 2.290 -2.083 5.131) 5.993 9.271 ( -0.322 -3.185 -1.766) 3.656 9.968 ( -0.685 4.814 0.593) 4.899 10.143 ( -0.293 0.797 -3.227) 3.337 10.192 ( -1.300 0.720 0.422) 1.544 10.397 ( -1.036 -0.635 1.140) 1.666 10.438 ( -1.406 -0.744 2.633) 3.076 10.546 ( -4.829 -4.441 6.402) 9.167 10.752 ( -5.203 0.130 -0.829) 5.270 10.861 ( -0.035 -5.089 -1.503) 5.306 11.000 ( -1.376 -4.775 2.506) 5.566 11.108 ( 0.036 -4.011 -1.309) 4.220 11.151 ( -0.011 -4.767 -0.575) 4.801 11.177 ( 4.487 -0.749 -3.640) 5.826 11.336 ( -5.179 3.667 1.859) 6.612 11.365 ( -0.379 1.907 -1.634) 2.539 11.435 ( 3.597 1.428 -0.631) 3.921 11.485 ( -2.266 1.412 2.305) 3.527 11.545 ( 2.732 2.557 1.725) 4.120 11.631 ( -0.151 2.092 0.814) 2.250 11.681 ( 1.740 -0.823 -0.743) 2.064 11.726 ( 0.137 0.562 -0.636) 0.859 11.790 ( 0.766 1.017 0.936) 1.580 11.835 ( -0.586 0.840 1.781) 2.054 11.987 ( 0.087 0.047 -2.463) 2.465 12.021 ( 1.842 0.272 -1.076) 2.151 12.741 ( -2.897 -0.788 3.085) 4.304 12.888 ( -12.974 -7.623 12.563) 19.603 13.135 ( -4.106 2.583 -5.805) 7.565 13.266 ( 6.632 -0.654 -0.522) 6.684 13.992 ( -1.803 2.073 2.514) 3.724 14.064 ( 7.294 -2.873 4.606) 9.093 14.205 ( 0.288 -1.873 -0.420) 1.941 14.230 ( 1.037 -2.987 -0.797) 3.261 14.842 ( 0.576 0.882 1.546) 1.871 14.905 ( 0.288 0.457 -0.234) 0.588 14.966 ( 4.144 3.298 -2.632) 5.914 15.098 ( -6.414 4.485 -8.150) 11.299 16.541 ( 0.168 -0.082 0.121) 0.223 16.550 ( -0.564 -0.216 0.242) 0.650 16.613 ( -0.279 0.497 0.372) 0.681 16.647 ( 0.089 -0.008 -0.406) 0.416 16.727 ( -1.630 4.769 1.794) 5.350 16.815 ( 0.368 6.197 -0.736) 6.252 17.078 ( 0.036 -3.597 3.462) 4.992 17.325 ( 0.565 -4.897 -2.243) 5.416 22.930 ( -2.612 3.678 1.072) 4.636 23.016 ( 3.169 1.970 -1.054) 3.877 23.189 ( -4.300 -6.242 8.728) 11.560 23.289 ( -2.791 -4.388 2.578) 5.805 23.492 ( 1.209 2.723 -0.592) 3.038 23.726 ( -6.056 -0.801 3.269) 6.928 23.913 ( 3.804 -1.621 -5.872) 7.182 24.035 ( -7.161 6.196 -6.326) 11.388 24.108 ( -3.309 2.710 -2.555) 4.982 24.185 ( 0.027 -1.824 -5.595) 5.885 24.348 ( -6.660 3.933 2.787) 8.221 24.357 ( -2.982 4.579 -4.166) 6.871 24.471 ( 3.679 3.995 -0.488) 5.453 24.754 ( -1.304 1.721 -3.658) 4.248 24.862 ( -0.440 0.453 -1.226) 1.380 25.128 ( -5.998 -4.411 -8.086) 10.992 25.226 ( 0.893 -3.434 5.343) 6.414 25.277 ( 3.156 -4.970 3.078) 6.643 25.746 ( 2.118 2.734 8.412) 9.095 25.872 ( 3.350 2.086 0.614) 3.994 26.043 ( 6.753 -1.738 5.040) 8.604 26.385 ( 3.616 -8.068 -9.774) 13.179 27.237 ( -3.333 6.513 6.621) 9.867 27.644 ( 12.712 -5.325 -1.765) 13.894 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 18.919 3.702 11.412) 22.402 0.932 ( 10.901 6.932 21.565) 25.138 1.465 ( -4.525 -6.084 -2.081) 7.862 1.675 ( 3.645 4.292 -1.570) 5.846 1.764 ( 10.190 8.460 2.752) 13.527 1.930 ( 7.766 7.720 9.443) 14.460 2.036 ( 0.335 4.185 -3.707) 5.601 2.166 ( -0.079 -2.288 2.787) 3.607 2.363 ( -4.075 -0.387 4.926) 6.404 2.382 ( 1.481 2.887 0.673) 3.313 2.574 ( -3.541 -5.997 -4.938) 8.537 2.632 ( -1.713 -0.302 -10.072) 10.221 2.665 ( 5.984 0.082 1.152) 6.095 2.760 ( 1.980 0.353 3.305) 3.869 2.868 ( 1.843 4.600 8.948) 10.228 2.942 ( 3.446 1.213 -2.044) 4.186 3.033 ( -4.323 6.864 3.551) 8.855 3.060 ( -3.269 -2.130 -4.124) 5.677 3.186 ( 6.683 -4.013 -3.765) 8.657 3.204 ( 0.025 -1.992 -0.687) 2.107 3.249 ( -1.862 2.205 -5.109) 5.867 3.377 ( -2.996 -4.309 0.491) 5.272 3.430 ( 4.995 -1.036 -1.351) 5.278 3.445 ( 1.862 -1.424 4.308) 4.904 3.543 ( -2.149 -3.014 -0.056) 3.702 3.611 ( -1.082 -4.034 1.053) 4.307 3.663 ( 4.542 -1.317 -3.737) 6.027 3.700 ( 1.701 3.112 -3.912) 5.280 3.734 ( -4.127 2.180 -4.720) 6.638 3.774 ( -1.858 2.088 0.667) 2.873 3.854 ( 3.413 0.094 -1.498) 3.728 3.935 ( 0.840 5.796 2.940) 6.553 3.969 ( -2.829 1.730 -0.289) 3.329 4.011 ( 2.754 1.491 2.943) 4.297 4.116 ( -1.660 5.831 -2.916) 6.728 4.173 ( 1.878 -0.247 -0.702) 2.020 4.215 ( 1.653 5.341 -0.833) 5.653 4.364 ( 2.610 0.890 1.012) 2.937 4.426 ( 0.009 -3.488 1.968) 4.005 4.481 ( -0.825 -4.647 0.906) 4.806 4.503 ( -2.984 -1.299 0.100) 3.257 4.636 ( 1.861 -0.715 0.305) 2.017 4.710 ( 3.902 -1.459 -1.391) 4.392 4.757 ( 5.568 -0.802 -2.216) 6.046 4.846 ( 0.915 -1.343 -3.456) 3.819 4.931 ( 2.914 -5.317 4.160) 7.353 4.971 ( -2.838 -4.764 3.251) 6.428 5.051 ( 3.483 0.396 -0.631) 3.562 5.070 ( -2.177 5.163 0.653) 5.641 5.138 ( 1.388 -1.632 -5.730) 6.117 5.183 ( 3.950 1.504 -0.957) 4.334 5.260 ( -1.129 1.737 -2.217) 3.035 5.341 ( 0.422 1.387 -3.536) 3.822 5.366 ( 0.636 -0.411 0.200) 0.783 5.422 ( -0.239 -2.239 -2.304) 3.221 5.505 ( 3.346 -1.162 -1.012) 3.684 5.529 ( 0.664 -1.285 -4.206) 4.448 5.570 ( 0.912 -0.505 7.022) 7.099 5.617 ( 0.062 -1.302 -0.253) 1.327 5.743 ( 0.354 1.827 4.099) 4.502 5.831 ( 1.224 -2.308 0.109) 2.614 5.869 ( -2.279 -5.002 -0.000) 5.497 5.908 ( -0.615 -4.999 0.355) 5.049 5.959 ( -4.738 0.863 2.573) 5.460 6.069 ( -3.269 -5.991 0.793) 6.871 6.105 ( -5.837 1.485 -4.536) 7.540 6.188 ( -3.250 4.628 -0.057) 5.656 6.262 ( -3.360 5.789 -0.048) 6.693 6.339 ( -3.493 0.269 0.387) 3.525 6.359 ( 0.318 3.402 -1.737) 3.833 6.424 ( -4.507 2.953 3.808) 6.598 6.455 ( -0.474 3.325 -4.941) 5.975 6.487 ( 5.267 1.554 -1.870) 5.801 6.628 ( -1.948 -1.327 -2.207) 3.229 6.661 ( -3.592 0.256 -1.515) 3.907 6.727 ( 0.838 -1.605 3.679) 4.100 6.796 ( -0.063 -0.792 3.135) 3.234 6.917 ( -2.069 5.945 -3.908) 7.409 7.009 ( 5.218 3.467 2.873) 6.892 7.067 ( -1.125 1.089 2.212) 2.710 7.225 ( -2.301 -5.003 2.320) 5.975 7.307 ( 0.361 -0.064 3.459) 3.479 7.408 ( 0.129 1.836 -0.936) 2.065 7.511 ( -0.188 -1.996 1.651) 2.597 7.602 ( -0.440 -4.898 -3.855) 6.248 7.803 ( 2.799 -0.956 -2.529) 3.891 7.826 ( -1.164 0.614 -0.066) 1.318 7.932 ( 6.349 -5.593 -0.160) 8.463 8.128 ( -4.232 -5.164 0.086) 6.677 8.201 ( -1.788 -2.563 3.343) 4.576 8.250 ( 0.686 1.122 1.377) 1.904 8.391 ( -0.502 -5.538 1.149) 5.678 8.426 ( -1.419 0.236 0.585) 1.553 8.509 ( -3.562 -1.684 0.357) 3.956 8.628 ( 2.798 6.951 -0.808) 7.537 8.750 ( 0.439 2.160 -1.959) 2.949 8.840 ( -1.066 -1.185 0.120) 1.599 8.891 ( -1.442 -0.478 -1.019) 1.829 9.102 ( 1.460 -1.434 4.180) 4.654 9.259 ( -0.654 -3.037 -2.128) 3.766 9.947 ( -1.605 4.197 0.580) 4.531 10.114 ( -0.370 -0.799 -3.281) 3.398 10.206 ( 2.309 0.758 -1.552) 2.884 10.366 ( -1.783 2.558 4.547) 5.514 10.430 ( -0.655 0.611 1.423) 1.681 10.488 ( -0.350 -2.651 -0.892) 2.819 10.630 ( -4.600 5.742 2.068) 7.642 10.877 ( 1.573 -7.074 -1.634) 7.428 10.982 ( -0.856 -3.896 1.651) 4.318 11.078 ( -1.524 -3.339 0.183) 3.674 11.171 ( 0.952 -4.981 -2.705) 5.748 11.216 ( -2.256 -1.344 3.193) 4.134 11.279 ( 1.318 4.534 -2.455) 5.322 11.359 ( 0.335 1.614 -2.345) 2.866 11.427 ( -2.573 1.163 2.801) 3.977 11.494 ( 1.497 0.597 -0.947) 1.869 11.596 ( 1.573 1.384 1.038) 2.338 11.614 ( -1.440 2.529 2.497) 3.834 11.682 ( -1.300 0.016 2.193) 2.549 11.715 ( -1.128 -1.523 -0.408) 1.938 11.788 ( -0.709 1.768 -0.384) 1.943 11.825 ( -0.713 2.202 1.172) 2.595 11.978 ( -0.609 0.112 -2.177) 2.263 12.037 ( -0.318 1.291 -0.276) 1.358 12.689 ( -0.453 0.602 5.120) 5.176 12.784 ( -0.769 -0.778 3.801) 3.956 13.056 ( -3.286 5.407 -4.632) 7.841 13.352 ( 1.344 -2.268 2.399) 3.564 13.964 ( -0.865 2.412 0.729) 2.664 14.178 ( 3.666 -4.169 2.523) 6.098 14.242 ( 3.520 -1.632 -0.254) 3.888 14.282 ( 3.028 -5.033 0.292) 5.880 14.876 ( 2.265 0.863 1.574) 2.890 14.904 ( -1.323 2.200 0.394) 2.597 14.938 ( -2.028 4.581 -0.511) 5.035 15.118 ( 5.720 1.411 -8.913) 10.684 16.543 ( 0.419 0.094 0.076) 0.436 16.554 ( 0.599 -0.108 0.400) 0.728 16.617 ( 0.647 0.621 0.002) 0.896 16.653 ( 0.631 -0.121 -0.293) 0.706 16.704 ( -0.837 4.584 1.060) 4.779 16.817 ( 0.019 6.338 -0.314) 6.346 17.083 ( 0.125 -4.086 2.780) 4.944 17.329 ( 0.091 -4.879 -1.982) 5.267 22.890 ( -1.058 2.497 -0.621) 2.782 23.030 ( -2.826 1.504 1.678) 3.615 23.146 ( 0.596 -0.552 5.509) 5.569 23.259 ( -0.578 -3.254 0.504) 3.343 23.502 ( -3.193 2.861 3.774) 5.712 23.588 ( -0.657 3.920 -4.742) 6.187 23.807 ( -7.772 7.235 0.608) 10.636 23.935 ( -2.637 -1.028 0.328) 2.850 24.078 ( -3.913 0.143 -1.027) 4.048 24.150 ( -4.913 -1.230 -0.729) 5.117 24.230 ( -2.634 5.600 -2.563) 6.698 24.354 ( -0.046 5.549 -1.663) 5.793 24.520 ( 3.233 -6.321 1.776) 7.319 24.746 ( -2.712 1.383 -2.812) 4.145 24.872 ( -1.298 -0.871 3.691) 4.008 25.133 ( 6.695 0.377 -9.013) 11.233 25.238 ( 1.967 -0.505 -0.585) 2.113 25.354 ( 4.663 -5.231 2.164) 7.335 25.801 ( 2.280 0.272 6.734) 7.115 25.944 ( 3.077 5.895 1.947) 6.928 26.168 ( 5.430 -11.407 -1.819) 12.764 26.460 ( 3.826 -7.199 -10.980) 13.676 27.152 ( -5.484 10.043 3.676) 12.018 27.726 ( -3.535 -9.135 2.851) 10.202 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 15.503 -3.167 12.860) 20.390 1.286 ( 21.508 -2.137 -0.742) 21.627 1.439 ( 4.137 3.705 -4.617) 7.222 1.697 ( 1.807 3.868 -7.301) 8.458 1.851 ( 3.298 -1.877 -4.998) 6.276 2.052 ( 2.870 -1.350 -8.142) 8.738 2.176 ( 3.707 -0.280 -2.078) 4.259 2.247 ( 10.023 3.958 3.996) 11.493 2.360 ( -1.657 2.393 -0.815) 3.023 2.398 ( 4.522 4.322 8.060) 10.202 2.564 ( 0.710 1.735 -8.912) 9.107 2.585 ( -1.833 -8.652 0.854) 8.885 2.756 ( 0.641 -3.767 -0.012) 3.821 2.791 ( 6.664 4.028 7.156) 10.576 2.874 ( -1.775 5.076 -0.807) 5.437 2.958 ( -1.845 5.945 9.220) 11.125 3.008 ( 1.426 3.905 5.134) 6.606 3.067 ( 2.602 0.457 -3.191) 4.142 3.144 ( -3.229 -1.099 -3.808) 5.112 3.186 ( -1.494 -2.850 2.947) 4.363 3.250 ( 0.078 -1.464 -4.415) 4.652 3.332 ( -3.888 0.899 7.120) 8.162 3.370 ( -6.365 -0.602 -4.034) 7.560 3.471 ( 0.173 0.018 -3.035) 3.040 3.561 ( -0.009 -2.632 -0.883) 2.777 3.632 ( -0.191 -1.635 -7.721) 7.894 3.672 ( -0.670 3.871 -0.917) 4.034 3.769 ( -3.288 1.489 0.821) 3.701 3.778 ( 4.781 4.539 -3.183) 7.320 3.790 ( 5.415 4.282 1.530) 7.071 3.839 ( -0.600 4.949 1.252) 5.140 3.965 ( 10.790 2.127 -5.237) 12.181 4.003 ( 0.061 -2.613 -0.487) 2.659 4.025 ( 3.386 2.397 6.991) 8.129 4.146 ( 7.524 2.253 3.958) 8.795 4.233 ( 1.276 5.373 -0.546) 5.549 4.324 ( 3.904 -2.197 0.704) 4.535 4.364 ( 1.525 -4.156 0.911) 4.520 4.414 ( 0.473 -4.301 2.734) 5.118 4.489 ( -0.181 -3.804 -2.171) 4.383 4.518 ( 2.809 -0.164 3.390) 4.406 4.641 ( 0.704 -3.958 -1.051) 4.155 4.762 ( -1.783 -1.618 -0.378) 2.437 4.817 ( 1.379 -0.654 -0.917) 1.780 4.866 ( -1.957 -2.503 4.835) 5.786 4.936 ( 3.764 -0.276 -2.159) 4.348 4.972 ( -0.075 -4.781 6.017) 7.685 5.035 ( -0.596 3.277 0.599) 3.384 5.097 ( 1.502 -1.345 0.403) 2.056 5.158 ( -2.717 1.638 -4.520) 5.522 5.174 ( 0.136 -2.490 -1.360) 2.841 5.255 ( -0.988 3.494 2.906) 4.651 5.324 ( 0.541 1.261 -1.242) 1.850 5.357 ( -2.008 -2.361 4.134) 5.167 5.408 ( 0.310 -0.078 -2.798) 2.816 5.545 ( 0.493 -0.876 -5.720) 5.807 5.552 ( 0.885 -1.062 1.450) 2.003 5.618 ( -0.051 -0.735 3.388) 3.467 5.663 ( 5.258 -0.137 -1.695) 5.527 5.729 ( -0.605 1.191 2.497) 2.831 5.800 ( -5.411 -2.946 -0.324) 6.169 5.857 ( -0.136 -1.474 3.612) 3.903 5.911 ( -3.451 -0.732 -1.952) 4.032 5.933 ( -2.117 -0.694 -2.018) 3.006 5.961 ( 3.230 -1.598 1.583) 3.936 6.063 ( 0.232 -2.669 -1.943) 3.309 6.150 ( -4.110 3.762 -2.466) 6.093 6.190 ( 0.053 3.163 0.372) 3.185 6.264 ( -2.933 1.983 -2.473) 4.319 6.281 ( -5.334 -0.574 2.622) 5.972 6.380 ( 0.467 1.824 -1.207) 2.237 6.429 ( -2.276 -0.169 -3.576) 4.242 6.509 ( -3.180 -2.553 -1.063) 4.215 6.605 ( -0.240 1.652 -2.546) 3.045 6.665 ( 2.882 -0.031 -3.881) 4.834 6.753 ( -0.847 -0.404 3.293) 3.424 6.776 ( -1.075 2.302 2.746) 3.741 6.872 ( -2.272 2.783 -2.102) 4.162 6.979 ( -4.795 0.603 0.829) 4.903 7.070 ( -0.300 5.868 3.410) 6.793 7.191 ( -2.437 -4.049 -1.384) 4.924 7.308 ( -0.413 0.736 4.363) 4.444 7.396 ( -1.420 2.242 2.003) 3.325 7.465 ( -3.778 -2.236 -3.361) 5.529 7.595 ( -0.606 -5.378 -2.678) 6.038 7.800 ( -1.249 -1.253 -8.530) 8.712 7.900 ( 4.444 0.614 2.877) 5.329 7.939 ( -7.699 -5.707 7.852) 12.389 8.066 ( 5.523 0.177 -1.456) 5.714 8.186 ( -0.393 -2.250 1.008) 2.497 8.300 ( 2.342 0.496 -1.358) 2.753 8.353 ( -2.252 -1.931 2.999) 4.218 8.410 ( -1.477 -3.307 0.815) 3.712 8.427 ( -3.531 -1.536 -0.402) 3.871 8.670 ( 1.194 6.275 -0.654) 6.421 8.743 ( -0.462 1.986 0.808) 2.193 8.820 ( -1.113 -0.966 1.185) 1.891 8.867 ( -0.783 0.691 -0.504) 1.159 9.122 ( -0.022 -1.368 3.445) 3.707 9.244 ( -0.736 -3.477 -1.459) 3.842 9.925 ( -0.419 3.710 0.351) 3.750 10.135 ( 2.278 -1.503 -6.916) 7.435 10.248 ( 1.925 0.410 -1.819) 2.680 10.361 ( 1.035 3.596 3.538) 5.150 10.438 ( 1.771 1.694 -2.101) 3.228 10.506 ( 1.468 -1.760 -2.835) 3.645 10.593 ( -0.246 4.053 3.273) 5.215 10.914 ( 2.279 -8.285 -1.171) 8.672 10.966 ( -1.021 -1.606 0.938) 2.122 11.053 ( -1.319 -2.674 0.492) 3.021 11.145 ( -2.878 -1.265 1.664) 3.558 11.193 ( 0.343 -3.222 -2.689) 4.210 11.308 ( 0.503 2.272 0.233) 2.339 11.363 ( 0.176 3.648 -3.075) 4.774 11.394 ( -0.711 -1.416 1.707) 2.329 11.514 ( 0.505 0.428 -0.351) 0.749 11.569 ( -3.228 -2.792 1.859) 4.655 11.601 ( -1.165 0.489 2.577) 2.870 11.652 ( -1.520 2.998 1.291) 3.601 11.710 ( 0.652 -0.096 0.320) 0.733 11.773 ( -0.997 2.228 0.372) 2.469 11.807 ( -1.116 2.580 0.417) 2.841 11.957 ( -1.467 0.775 -0.469) 1.724 12.023 ( -0.672 1.290 0.590) 1.569 12.717 ( 1.696 0.959 2.329) 3.037 12.797 ( 1.302 -1.208 1.076) 2.077 13.004 ( -1.574 5.628 -2.792) 6.476 13.314 ( -5.131 -2.283 2.179) 6.024 13.965 ( 0.659 2.588 0.799) 2.787 14.238 ( 2.564 -3.135 1.268) 4.244 14.303 ( 1.640 -0.747 -0.969) 2.046 14.342 ( 3.964 -3.516 0.947) 5.383 14.864 ( -1.297 6.807 0.482) 6.946 14.909 ( 0.895 1.195 -0.471) 1.565 14.967 ( 2.868 -0.040 2.462) 3.780 15.197 ( 3.463 -2.258 -6.713) 7.884 16.555 ( 0.671 0.075 -0.050) 0.677 16.566 ( 0.541 -0.136 0.713) 0.905 16.636 ( 1.252 0.691 -0.475) 1.507 16.670 ( 1.108 -0.253 -0.409) 1.208 16.696 ( -0.103 4.074 0.560) 4.113 16.815 ( -0.205 6.276 -0.188) 6.282 17.091 ( 0.329 -4.265 2.216) 4.818 17.323 ( -0.351 -4.863 -1.891) 5.230 22.884 ( 0.174 2.268 -1.835) 2.923 22.979 ( -1.426 0.592 -1.310) 2.025 23.179 ( 0.919 0.441 4.676) 4.786 23.265 ( 1.346 -2.966 -2.794) 4.291 23.458 ( -0.370 0.925 2.501) 2.692 23.641 ( 3.815 2.671 -1.408) 4.865 23.698 ( -3.838 2.859 1.767) 5.102 23.817 ( -8.012 -0.151 4.339) 9.112 23.966 ( -6.588 -0.613 0.296) 6.623 24.057 ( -4.813 3.575 3.855) 7.127 24.224 ( 1.598 3.861 -6.552) 7.771 24.362 ( 0.147 2.189 3.184) 3.866 24.579 ( 2.454 -5.803 0.931) 6.369 24.630 ( -7.197 0.492 -0.578) 7.237 24.857 ( -0.431 -2.237 -0.050) 2.279 25.179 ( -2.322 3.446 -5.488) 6.884 25.342 ( 8.866 -3.888 -1.697) 9.829 25.494 ( 8.595 -3.679 -0.150) 9.351 25.846 ( 1.584 1.271 5.752) 6.100 25.984 ( 1.120 4.908 0.759) 5.091 26.238 ( 1.372 -12.688 -2.552) 13.015 26.482 ( 0.806 -6.204 -13.623) 14.991 27.072 ( -2.486 12.341 3.035) 12.950 27.605 ( -8.000 -4.602 6.860) 11.499 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 6.211 2.769 -2.203) 7.148 1.511 ( 11.835 -1.937 9.399) 15.237 1.651 ( 9.096 -2.148 -6.749) 11.529 1.743 ( 3.957 5.381 -7.738) 10.223 1.944 ( 6.959 -0.855 -6.218) 9.371 2.128 ( 3.747 -4.563 -2.807) 6.538 2.224 ( -2.817 -0.922 -5.471) 6.222 2.327 ( 8.951 0.713 -4.468) 10.030 2.400 ( 5.061 -1.074 -6.630) 8.410 2.473 ( 0.748 3.981 -2.841) 4.948 2.508 ( -5.241 -3.510 -0.481) 6.326 2.596 ( 4.135 -1.519 -4.953) 6.629 2.678 ( -6.511 -2.256 -0.758) 6.932 2.847 ( -0.729 5.158 -0.552) 5.238 2.886 ( 0.941 -2.819 -3.183) 4.354 2.984 ( 2.066 5.180 10.697) 12.064 3.008 ( -1.082 -5.529 -2.077) 6.004 3.093 ( 2.012 -1.455 6.480) 6.939 3.154 ( -2.919 3.574 -4.039) 6.133 3.170 ( -2.027 0.797 3.423) 4.057 3.262 ( -0.950 2.727 5.660) 6.354 3.273 ( 2.531 6.457 -0.197) 6.938 3.319 ( 2.639 3.321 2.774) 5.068 3.436 ( -4.479 4.848 -3.504) 7.473 3.548 ( -3.196 -2.258 0.658) 3.968 3.595 ( -1.778 -0.472 -2.609) 3.192 3.640 ( 0.079 3.005 -1.209) 3.240 3.751 ( -0.910 2.302 -2.985) 3.878 3.782 ( 2.846 -0.215 0.522) 2.902 3.819 ( 2.270 6.230 0.717) 6.669 3.953 ( 9.081 4.877 2.113) 10.522 4.039 ( 1.339 -2.946 3.877) 5.050 4.064 ( 2.509 -0.215 0.022) 2.518 4.171 ( 1.811 1.601 -1.138) 2.672 4.232 ( -3.393 1.973 -1.928) 4.373 4.304 ( 5.803 1.767 1.877) 6.350 4.367 ( -0.323 -5.848 5.912) 8.321 4.410 ( 4.274 0.108 -0.443) 4.298 4.442 ( 2.391 0.087 4.582) 5.169 4.521 ( 9.138 -2.518 0.643) 9.501 4.600 ( -0.541 -5.679 0.132) 5.706 4.639 ( 0.149 -2.069 2.494) 3.243 4.741 ( 0.459 -0.445 0.245) 0.685 4.774 ( -5.767 -4.725 0.255) 7.460 4.853 ( 2.973 -3.230 2.476) 5.040 4.911 ( -6.406 -0.739 7.901) 10.198 5.003 ( -0.978 3.263 3.936) 5.205 5.022 ( 0.076 1.314 3.972) 4.185 5.107 ( 0.544 -1.033 -1.383) 1.810 5.157 ( 3.805 -1.039 -5.788) 7.004 5.198 ( 0.519 0.733 1.754) 1.970 5.237 ( -0.874 5.204 1.905) 5.610 5.292 ( -4.380 0.764 5.899) 7.387 5.359 ( 0.612 -0.841 -1.433) 1.770 5.417 ( -5.389 1.522 1.905) 5.915 5.454 ( 1.318 -3.313 5.336) 6.418 5.564 ( -5.053 -0.738 2.144) 5.539 5.605 ( 1.141 0.993 -2.793) 3.176 5.637 ( -5.639 2.118 -5.216) 7.968 5.696 ( 0.932 0.084 -5.034) 5.120 5.804 ( 5.530 -0.876 -0.743) 5.648 5.855 ( -3.225 -0.929 1.885) 3.849 5.876 ( -0.117 -0.750 -1.266) 1.476 5.921 ( 0.728 -2.920 -4.329) 5.272 6.013 ( -0.304 -1.046 1.755) 2.066 6.076 ( 2.722 -0.770 -1.354) 3.137 6.139 ( 4.302 -2.426 -2.685) 5.621 6.214 ( -1.286 3.034 0.578) 3.345 6.237 ( 1.335 -3.008 2.371) 4.056 6.253 ( 2.480 0.335 0.259) 2.516 6.360 ( -2.786 -2.835 -0.434) 3.999 6.383 ( -1.579 -0.032 -2.749) 3.170 6.453 ( -1.629 -5.122 -1.698) 5.637 6.573 ( -3.134 3.844 -2.455) 5.534 6.686 ( -4.528 -0.309 0.377) 4.554 6.709 ( 1.685 -0.837 -2.237) 2.923 6.768 ( -1.412 3.835 0.381) 4.104 6.832 ( -0.945 2.102 0.711) 2.411 6.948 ( 1.487 0.598 -3.640) 3.977 7.025 ( -3.157 5.663 -0.580) 6.510 7.137 ( -2.294 0.691 -2.582) 3.522 7.308 ( -0.448 3.388 5.170) 6.198 7.327 ( -6.099 -0.198 -1.356) 6.251 7.404 ( -1.351 -3.625 -0.817) 3.954 7.523 ( -6.254 -4.088 -3.139) 8.105 7.729 ( -2.023 -6.497 1.615) 6.993 7.928 ( 3.723 -0.496 -2.468) 4.494 7.964 ( 1.992 0.887 0.248) 2.194 8.150 ( 1.750 -0.051 0.149) 1.757 8.202 ( 2.090 -1.549 -0.978) 2.779 8.270 ( -2.838 2.170 1.395) 3.835 8.352 ( -1.602 -1.035 -1.277) 2.295 8.370 ( 0.999 1.420 2.663) 3.179 8.435 ( 2.420 -4.694 1.005) 5.376 8.648 ( -2.835 3.528 -0.125) 4.527 8.751 ( -0.610 0.712 5.162) 5.247 8.806 ( 0.336 1.061 0.585) 1.257 8.863 ( 0.602 0.794 -2.183) 2.400 9.112 ( -1.356 -1.419 3.527) 4.036 9.223 ( -1.231 -3.863 -0.426) 4.077 9.931 ( 0.946 3.651 -0.983) 3.898 10.166 ( 1.705 -1.662 -5.931) 6.391 10.268 ( 0.192 0.662 -0.806) 1.060 10.401 ( 2.242 3.432 0.213) 4.105 10.485 ( 3.229 1.528 -3.659) 5.114 10.522 ( 0.501 -1.007 -2.478) 2.722 10.611 ( 1.337 2.123 3.787) 4.542 10.915 ( -2.136 -5.501 0.873) 5.965 10.989 ( 3.314 -1.883 -0.283) 3.822 11.032 ( -0.799 -0.999 0.302) 1.314 11.097 ( -2.238 -2.930 0.843) 3.782 11.202 ( 0.965 -3.049 -4.883) 5.837 11.300 ( -0.732 1.227 2.678) 3.035 11.359 ( -0.248 3.770 -3.804) 5.362 11.390 ( -0.872 -1.880 0.308) 2.095 11.486 ( -2.382 -3.584 1.286) 4.492 11.531 ( -1.306 -1.549 3.198) 3.786 11.588 ( 0.357 1.144 0.001) 1.198 11.644 ( 0.118 3.926 1.361) 4.157 11.710 ( -1.074 2.311 1.268) 2.846 11.762 ( 0.255 1.111 -0.331) 1.187 11.789 ( -0.637 1.743 0.294) 1.879 11.919 ( -2.509 2.477 1.775) 3.947 12.016 ( -0.394 -0.170 0.978) 1.068 12.748 ( 1.328 0.979 2.160) 2.718 12.828 ( 1.775 -1.628 0.524) 2.465 12.989 ( 0.219 4.548 -2.114) 5.020 13.194 ( -6.619 -0.900 0.288) 6.686 13.980 ( 0.637 2.621 2.105) 3.422 14.274 ( 0.786 -0.561 -0.467) 1.073 14.317 ( 0.385 -2.161 0.166) 2.202 14.412 ( 2.719 -2.936 -0.169) 4.005 14.856 ( 0.109 6.316 0.501) 6.337 14.920 ( 0.437 1.726 -0.787) 1.947 15.017 ( 1.587 -0.796 2.614) 3.160 15.240 ( 1.920 -3.453 -4.614) 6.075 16.565 ( 0.339 0.170 0.162) 0.412 16.574 ( 0.163 -0.058 0.795) 0.814 16.659 ( 1.078 0.689 -0.626) 1.424 16.683 ( 0.197 1.097 -0.970) 1.478 16.707 ( 1.123 2.398 0.930) 2.806 16.810 ( -0.322 6.029 -0.422) 6.053 17.100 ( 0.310 -4.331 1.929) 4.751 17.313 ( -0.458 -4.858 -1.963) 5.260 22.885 ( 0.190 0.533 -1.125) 1.259 22.968 ( 0.034 -0.279 -3.631) 3.641 23.183 ( -0.141 0.740 1.037) 1.282 23.313 ( 4.145 -2.043 -5.491) 7.176 23.472 ( 0.635 1.946 3.444) 4.007 23.650 ( -2.888 7.108 3.997) 8.651 23.695 ( -3.511 -2.334 4.838) 6.417 23.715 ( 3.377 -0.084 2.132) 3.994 23.868 ( -3.113 -1.172 2.432) 4.121 23.973 ( -4.391 3.945 4.784) 7.598 24.247 ( 1.065 1.989 -5.537) 5.979 24.333 ( -2.906 -0.300 0.284) 2.935 24.502 ( -5.132 2.559 0.852) 5.798 24.656 ( 4.564 -6.218 2.495) 8.106 24.835 ( -1.469 -3.498 -1.435) 4.056 25.114 ( -2.914 4.367 -2.268) 5.719 25.507 ( 7.957 -3.743 -1.281) 8.887 25.626 ( 4.522 -4.371 -1.071) 6.380 25.884 ( 1.912 3.218 5.379) 6.553 25.984 ( -1.870 1.145 -0.554) 2.262 26.196 ( -3.966 -9.706 -6.984) 12.598 26.496 ( 2.579 -4.291 -14.081) 14.944 27.070 ( 1.214 10.331 5.796) 11.908 27.463 ( -7.456 -1.564 6.624) 10.095 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -2.811 9.468 0.857) 9.913 1.709 ( 1.567 -0.682 3.102) 3.542 1.765 ( 9.409 -4.010 -1.544) 10.344 1.810 ( 3.400 -0.057 -9.231) 9.837 2.019 ( 1.157 -0.046 -2.977) 3.195 2.135 ( 0.379 -0.174 -8.996) 9.006 2.187 ( -5.341 0.892 2.381) 5.915 2.298 ( -7.628 4.488 -5.204) 10.267 2.451 ( 1.021 -3.855 -10.767) 11.482 2.490 ( -0.418 2.178 0.080) 2.219 2.530 ( 5.567 1.089 -6.602) 8.705 2.651 ( 2.739 -12.395 3.651) 13.209 2.683 ( 7.828 0.543 -10.191) 12.861 2.853 ( 1.868 -1.464 1.146) 2.635 2.890 ( -1.817 2.948 -7.037) 7.843 2.972 ( -1.879 0.112 -0.832) 2.058 3.016 ( 0.060 -4.184 2.102) 4.683 3.097 ( -3.492 1.680 1.931) 4.329 3.163 ( 4.062 4.847 2.577) 6.829 3.192 ( 7.625 6.256 2.930) 10.289 3.229 ( 1.022 3.750 -0.623) 3.937 3.293 ( -2.969 -0.811 -0.780) 3.175 3.358 ( 2.120 -1.256 5.185) 5.740 3.417 ( 3.473 2.552 4.338) 6.115 3.474 ( -4.332 -0.130 3.166) 5.367 3.609 ( -2.009 2.157 -7.410) 7.974 3.623 ( 0.687 1.612 1.176) 2.110 3.670 ( -4.157 4.614 7.744) 9.927 3.816 ( 5.192 -2.191 -1.917) 5.952 3.884 ( -2.954 4.723 -4.087) 6.909 3.966 ( -7.696 -0.415 -5.673) 9.570 4.062 ( -4.934 -3.071 1.998) 6.145 4.121 ( 7.850 0.185 1.005) 7.917 4.189 ( -1.476 -2.479 -0.209) 2.892 4.307 ( 4.528 2.988 0.960) 5.509 4.330 ( 3.390 -0.882 4.849) 5.982 4.370 ( -9.478 3.300 4.474) 10.988 4.389 ( -1.265 -0.735 3.956) 4.217 4.444 ( 1.160 4.327 0.421) 4.500 4.548 ( -1.593 0.610 3.950) 4.302 4.587 ( -3.940 -2.144 6.716) 8.077 4.665 ( -3.225 -1.853 -0.436) 3.744 4.696 ( -6.777 1.408 8.541) 10.994 4.761 ( 6.990 -7.763 0.057) 10.447 4.779 ( -2.371 0.933 0.173) 2.554 4.931 ( 1.072 0.035 -1.023) 1.483 4.984 ( -9.196 0.141 8.097) 12.254 5.034 ( 3.299 2.107 4.217) 5.754 5.046 ( 0.968 -1.138 4.071) 4.337 5.171 ( 3.062 0.418 0.079) 3.092 5.231 ( -0.608 0.119 1.611) 1.726 5.260 ( 4.838 -0.166 -3.662) 6.070 5.310 ( -1.717 4.702 -1.014) 5.107 5.372 ( -5.932 -2.010 -0.969) 6.338 5.397 ( 4.126 -0.227 -2.959) 5.082 5.433 ( 4.408 -2.666 3.571) 6.268 5.508 ( 1.154 -1.740 1.480) 2.560 5.568 ( -5.235 2.031 5.605) 7.934 5.618 ( -0.551 -0.377 -3.858) 3.916 5.670 ( -1.397 2.629 -1.056) 3.159 5.826 ( 3.072 -1.112 -7.167) 7.877 5.852 ( 0.874 -1.083 -2.759) 3.090 5.879 ( -0.206 -2.237 -0.112) 2.249 5.944 ( 1.154 -0.868 -0.412) 1.502 6.024 ( 0.642 -3.290 1.453) 3.653 6.136 ( 2.889 -3.401 0.985) 4.570 6.172 ( -4.815 1.685 2.791) 5.815 6.211 ( 0.734 -1.957 1.731) 2.714 6.258 ( 1.523 -2.257 -4.141) 4.956 6.300 ( -1.257 -3.954 1.088) 4.289 6.329 ( 3.399 -1.109 -0.771) 3.657 6.373 ( 0.673 -1.599 0.317) 1.763 6.444 ( 1.220 -1.743 -3.803) 4.358 6.495 ( -3.102 3.082 -4.889) 6.559 6.608 ( -1.893 5.690 0.575) 6.024 6.718 ( -3.301 -0.797 -0.106) 3.397 6.729 ( 0.766 -0.609 0.036) 0.979 6.829 ( -0.102 0.033 -1.138) 1.143 6.961 ( -1.759 2.864 -6.653) 7.454 7.025 ( 3.778 4.504 -2.412) 6.354 7.125 ( 2.707 2.074 -1.596) 3.765 7.203 ( -4.512 1.329 -4.529) 6.530 7.313 ( 0.171 1.550 2.748) 3.159 7.394 ( -1.195 -2.471 3.750) 4.647 7.447 ( 0.776 -3.448 -1.887) 4.007 7.724 ( 0.389 -7.167 1.739) 7.385 7.985 ( 0.462 1.353 -2.574) 2.944 7.997 ( 2.667 -1.838 -2.631) 4.172 8.151 ( -0.333 0.578 0.882) 1.106 8.221 ( 0.745 0.517 -2.179) 2.360 8.257 ( 0.063 -0.921 2.684) 2.838 8.366 ( 3.092 0.518 -1.702) 3.567 8.373 ( -0.787 2.542 2.618) 3.733 8.474 ( 0.557 -3.383 0.637) 3.487 8.588 ( -3.292 2.534 2.709) 4.959 8.721 ( -2.385 -1.460 4.560) 5.349 8.817 ( 0.032 2.844 0.663) 2.921 8.892 ( 2.604 0.961 -2.852) 3.980 9.083 ( -2.097 -1.608 3.977) 4.775 9.205 ( -0.343 -4.070 -0.085) 4.086 9.954 ( 1.444 4.016 -1.725) 4.603 10.188 ( 1.335 -0.982 -4.226) 4.539 10.255 ( -1.351 1.425 -0.267) 1.981 10.430 ( 0.725 2.282 -2.052) 3.153 10.511 ( -0.880 -0.665 -0.058) 1.104 10.552 ( 3.670 1.082 -5.011) 6.305 10.648 ( 1.917 0.880 3.589) 4.163 10.876 ( -1.681 -3.816 0.792) 4.244 11.011 ( -0.740 0.546 2.126) 2.317 11.041 ( -0.147 -0.119 -1.248) 1.262 11.078 ( 1.106 -5.783 1.147) 5.998 11.221 ( 1.974 -2.023 -5.790) 6.443 11.300 ( 0.156 -1.166 1.629) 2.010 11.337 ( -1.444 -0.268 -2.771) 3.136 11.359 ( -1.412 0.375 -1.063) 1.807 11.470 ( 0.171 -4.958 2.338) 5.484 11.520 ( -0.035 0.763 1.930) 2.076 11.603 ( 0.622 2.556 0.937) 2.793 11.639 ( -1.151 5.443 1.778) 5.841 11.694 ( -0.093 1.828 0.998) 2.084 11.780 ( 1.541 0.274 -0.760) 1.740 11.783 ( -0.234 0.482 0.543) 0.763 11.873 ( -2.179 3.123 2.033) 4.317 12.003 ( -1.198 -0.506 1.207) 1.775 12.776 ( 1.269 0.830 2.721) 3.115 12.866 ( 2.071 -1.710 1.664) 3.159 13.000 ( 0.975 3.084 -2.451) 4.058 13.090 ( -3.381 0.731 -1.449) 3.750 13.995 ( 0.637 2.606 3.284) 4.240 14.260 ( -1.842 1.834 -3.036) 3.997 14.326 ( 0.194 -3.693 1.720) 4.079 14.436 ( -0.252 -3.098 -0.794) 3.208 14.860 ( 0.081 6.073 0.591) 6.102 14.922 ( -0.150 1.720 -0.961) 1.976 15.028 ( -0.717 -0.816 2.086) 2.352 15.265 ( 1.232 -4.011 -3.367) 5.380 16.568 ( -0.092 0.226 0.284) 0.374 16.573 ( -0.318 0.084 0.604) 0.688 16.671 ( 0.091 0.689 -0.367) 0.786 16.683 ( 0.053 1.253 -1.009) 1.610 16.730 ( 1.045 2.009 1.241) 2.582 16.802 ( -0.382 5.775 -0.808) 5.843 17.105 ( -0.034 -4.071 1.926) 4.503 17.303 ( -0.226 -4.886 -2.167) 5.350 22.891 ( 0.497 -1.713 -1.162) 2.129 22.959 ( -0.357 -0.853 -2.507) 2.672 23.204 ( 2.655 2.045 -3.911) 5.151 23.403 ( 5.922 -1.946 -6.980) 9.359 23.468 ( -1.684 5.158 4.940) 7.338 23.613 ( 0.176 5.975 6.701) 8.980 23.656 ( -3.055 -2.817 6.681) 7.868 23.787 ( 3.139 2.518 3.232) 5.161 23.846 ( -0.430 -2.550 4.397) 5.101 23.914 ( -1.851 2.333 4.451) 5.356 24.227 ( -1.990 -3.580 -4.802) 6.311 24.305 ( 0.340 3.006 -2.546) 3.954 24.436 ( -1.495 2.842 -0.459) 3.244 24.703 ( 0.018 -6.582 1.426) 6.735 24.871 ( 5.617 -2.362 3.334) 6.946 25.066 ( -1.889 4.955 -2.234) 5.754 25.631 ( 4.474 -5.040 -0.178) 6.742 25.671 ( 0.902 -3.221 0.614) 3.401 25.883 ( -7.766 -0.705 -1.123) 7.878 25.929 ( 1.768 -0.004 2.260) 2.869 26.128 ( -2.081 -5.087 -9.734) 11.178 26.529 ( 2.390 -2.478 -14.904) 15.296 27.113 ( 1.933 7.035 9.318) 11.834 27.341 ( -5.784 1.009 4.439) 7.360 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -11.747 14.736 5.040) 19.507 1.715 ( -0.078 -1.541 -1.387) 2.075 1.750 ( -11.045 8.084 -13.036) 18.902 1.869 ( -3.485 -1.169 0.308) 3.689 1.989 ( -1.182 4.252 1.713) 4.734 2.070 ( 4.197 -1.020 1.231) 4.491 2.182 ( 4.585 -2.489 -9.513) 10.849 2.263 ( -1.532 -0.558 -2.324) 2.839 2.417 ( 0.292 -0.524 -5.466) 5.499 2.446 ( -6.904 -0.593 1.884) 7.180 2.556 ( -4.351 -5.507 7.569) 10.322 2.693 ( 3.934 -4.198 -6.509) 8.687 2.788 ( 0.488 -2.663 -7.557) 8.028 2.889 ( 2.392 2.026 -4.125) 5.181 2.908 ( 1.514 -2.776 2.338) 3.933 2.933 ( -1.457 1.193 2.921) 3.475 2.968 ( -3.852 -0.060 -5.481) 6.699 3.061 ( 0.361 1.076 -2.028) 2.324 3.161 ( -3.531 -3.385 5.062) 7.039 3.247 ( 1.167 5.124 -0.234) 5.261 3.328 ( 1.569 2.669 1.422) 3.407 3.400 ( 1.688 -1.375 3.813) 4.391 3.400 ( 8.736 1.411 -2.413) 9.172 3.452 ( 3.985 -3.169 0.018) 5.091 3.495 ( -0.990 0.066 -5.699) 5.785 3.524 ( 0.340 3.123 4.671) 5.629 3.628 ( -4.489 3.006 -0.173) 5.405 3.645 ( -1.177 5.250 8.017) 9.655 3.759 ( -0.050 3.346 -0.163) 3.350 3.813 ( -5.448 0.969 0.041) 5.534 3.904 ( 0.367 -3.615 -3.333) 4.931 4.038 ( 1.345 3.072 8.351) 8.999 4.082 ( -8.729 8.653 -3.390) 12.750 4.116 ( -4.389 4.263 5.874) 8.482 4.167 ( -2.285 -7.742 3.143) 8.663 4.322 ( -1.334 -6.161 4.937) 8.007 4.371 ( -2.101 4.583 0.453) 5.062 4.381 ( -2.472 2.111 -3.061) 4.466 4.422 ( -6.759 -1.871 3.886) 8.018 4.472 ( -3.229 1.094 0.133) 3.412 4.603 ( -3.220 0.236 4.452) 5.500 4.615 ( 0.663 1.012 2.001) 2.338 4.674 ( 4.427 0.127 -1.262) 4.605 4.761 ( 1.087 0.183 -7.742) 7.820 4.847 ( 0.066 -2.181 0.657) 2.278 4.876 ( -0.003 -3.022 2.218) 3.749 4.943 ( -4.446 2.014 -1.229) 5.033 5.013 ( -4.130 0.529 0.869) 4.253 5.065 ( -5.246 0.710 6.495) 8.380 5.127 ( 1.164 -2.570 1.601) 3.244 5.201 ( -5.036 0.865 2.972) 5.912 5.224 ( 0.303 -2.900 0.953) 3.068 5.333 ( -0.599 4.687 -4.529) 6.545 5.353 ( 1.700 -3.729 -1.532) 4.375 5.441 ( 2.765 0.830 1.907) 3.460 5.500 ( -0.881 -4.348 3.314) 5.537 5.530 ( 3.972 -2.538 -2.689) 5.427 5.612 ( 0.521 -3.458 1.800) 3.933 5.649 ( 6.423 1.659 -2.084) 6.953 5.669 ( 3.008 1.196 -5.275) 6.189 5.827 ( -3.160 -1.584 -0.689) 3.602 5.837 ( -1.016 -2.048 -0.593) 2.362 5.927 ( 1.532 3.568 3.497) 5.226 5.978 ( -3.074 -4.121 0.568) 5.173 5.994 ( -0.191 -0.967 -1.290) 1.624 6.027 ( -1.124 -0.101 0.542) 1.252 6.159 ( -0.356 2.086 -1.104) 2.387 6.202 ( -2.144 -4.514 0.443) 5.017 6.261 ( 1.212 -0.711 5.364) 5.546 6.335 ( 1.107 -1.264 -0.251) 1.699 6.383 ( 3.418 2.616 -2.533) 4.994 6.418 ( 3.467 -2.683 1.925) 4.788 6.467 ( 1.753 0.856 -4.531) 4.934 6.498 ( 2.109 0.356 -4.091) 4.616 6.615 ( 1.621 0.492 -0.937) 1.936 6.693 ( 2.889 2.419 1.862) 4.203 6.740 ( -0.750 2.161 -2.151) 3.140 6.804 ( -0.146 -1.809 -3.427) 3.878 6.956 ( 1.735 3.940 -2.476) 4.966 7.078 ( 1.072 2.072 0.215) 2.343 7.145 ( -0.387 0.259 -3.895) 3.923 7.214 ( 4.491 2.216 -0.404) 5.024 7.331 ( 1.319 0.720 0.905) 1.754 7.395 ( 1.517 -1.411 1.168) 2.378 7.498 ( 2.979 -1.713 -1.173) 3.631 7.732 ( 0.031 -5.744 1.309) 5.891 7.968 ( -1.465 0.269 -0.197) 1.503 8.036 ( 2.393 -1.461 -3.719) 4.657 8.138 ( -2.889 -3.244 2.973) 5.263 8.240 ( 0.336 -3.277 -1.486) 3.614 8.267 ( 2.184 1.305 0.292) 2.561 8.357 ( -0.477 4.425 1.315) 4.641 8.430 ( 0.893 -1.017 1.197) 1.807 8.468 ( 0.576 -0.217 0.801) 1.010 8.538 ( -1.798 2.768 2.024) 3.872 8.683 ( -1.481 -1.111 1.112) 2.159 8.815 ( -0.156 2.748 0.584) 2.813 8.935 ( 1.889 1.184 -1.644) 2.770 9.044 ( -2.415 -2.211 3.842) 5.048 9.217 ( 1.587 -4.188 -0.446) 4.501 9.977 ( 0.932 4.519 -1.003) 4.722 10.206 ( 0.930 0.822 -3.883) 4.076 10.220 ( -2.154 1.919 0.428) 2.917 10.427 ( -0.418 0.664 -3.452) 3.540 10.489 ( -1.196 -1.296 1.211) 2.139 10.621 ( 3.922 -1.026 -2.772) 4.911 10.688 ( 1.648 1.685 2.104) 3.160 10.855 ( -0.489 -4.059 -0.131) 4.090 11.005 ( -0.255 0.428 3.118) 3.157 11.026 ( -0.283 1.462 -0.405) 1.543 11.092 ( -0.167 -6.461 1.582) 6.654 11.256 ( -0.656 -2.883 -2.353) 3.778 11.283 ( 0.681 -0.889 -1.730) 2.061 11.326 ( -0.517 0.338 -2.997) 3.060 11.355 ( 2.207 -1.003 -1.450) 2.825 11.487 ( 0.797 -4.780 2.979) 5.688 11.527 ( 0.367 2.403 0.815) 2.564 11.603 ( -0.861 4.016 2.818) 4.981 11.621 ( -0.283 4.152 0.676) 4.216 11.703 ( 0.488 2.262 1.055) 2.543 11.772 ( -0.830 -0.019 0.681) 1.074 11.815 ( 1.850 -0.315 -0.065) 1.878 11.857 ( 0.641 2.451 -0.370) 2.560 11.979 ( -1.006 -0.030 0.803) 1.287 12.797 ( 0.381 0.740 2.649) 2.777 12.918 ( 3.271 -1.832 4.863) 6.141 13.007 ( 0.465 2.733 -1.404) 3.107 13.080 ( 2.037 0.926 -4.269) 4.820 14.013 ( 0.681 2.504 4.024) 4.788 14.202 ( -3.636 1.728 -3.880) 5.591 14.320 ( -1.094 -2.999 1.394) 3.484 14.402 ( -3.095 -3.044 -0.883) 4.430 14.858 ( -0.348 6.044 0.699) 6.094 14.912 ( -0.696 1.218 -1.068) 1.763 14.998 ( -2.480 -0.262 1.583) 2.953 15.280 ( 0.697 -4.465 -3.205) 5.540 16.561 ( -0.677 0.162 0.317) 0.765 16.567 ( -0.273 0.198 0.231) 0.408 16.664 ( -0.622 0.665 -0.253) 0.945 16.678 ( -0.572 0.625 -0.557) 1.014 16.748 ( 0.652 2.539 1.679) 3.113 16.794 ( -0.236 5.690 -1.085) 5.797 17.102 ( -0.546 -3.520 2.137) 4.154 17.300 ( 0.204 -4.937 -2.435) 5.508 22.901 ( 0.870 -1.683 -1.746) 2.577 22.955 ( 0.135 -1.337 -1.111) 1.744 23.256 ( 2.476 1.718 -3.449) 4.580 23.452 ( 0.266 5.099 0.706) 5.154 23.521 ( 6.556 -3.744 -4.496) 8.787 23.590 ( -3.650 -1.584 6.015) 7.211 23.650 ( 1.304 4.172 10.522) 11.394 23.822 ( -0.833 0.685 4.126) 4.264 23.851 ( 2.603 2.944 1.990) 4.404 23.936 ( 3.117 1.681 4.217) 5.507 24.191 ( -0.951 -3.310 -4.923) 6.008 24.321 ( 1.735 0.166 -3.301) 3.733 24.464 ( 4.651 3.849 1.333) 6.183 24.721 ( 1.640 -3.035 3.086) 4.629 24.947 ( -1.141 0.567 2.291) 2.621 25.076 ( 5.148 -0.708 -2.398) 5.723 25.625 ( -6.259 -5.155 -4.124) 9.097 25.685 ( 0.544 -2.301 4.063) 4.701 25.755 ( -4.171 -0.315 3.878) 5.704 25.953 ( 0.967 -6.510 -3.578) 7.492 26.060 ( -4.278 -1.217 -8.002) 9.155 26.539 ( 0.405 -1.561 -16.510) 16.588 27.152 ( 0.478 4.928 9.884) 11.055 27.268 ( -1.643 4.160 3.083) 5.432 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -11.204 20.524 11.601) 26.103 1.386 ( -21.075 18.962 -4.300) 28.675 1.731 ( 1.442 -2.579 -0.413) 2.984 1.810 ( -1.500 1.300 -5.325) 5.683 2.013 ( -1.187 0.140 5.644) 5.769 2.068 ( -5.757 0.394 2.634) 6.343 2.202 ( -16.483 -1.437 1.196) 16.588 2.261 ( 2.287 -2.171 -6.552) 7.271 2.299 ( 4.429 -4.299 -6.272) 8.800 2.406 ( -4.857 -2.778 2.354) 6.070 2.486 ( -5.958 -0.330 7.753) 9.783 2.573 ( -11.007 -1.628 5.617) 12.465 2.726 ( 0.699 -0.057 -1.231) 1.416 2.875 ( -3.679 -0.882 -2.315) 4.436 2.888 ( -2.533 -2.131 3.787) 5.030 2.932 ( 2.592 0.302 -8.732) 9.113 2.982 ( 4.370 -1.660 -3.938) 6.113 3.076 ( -1.006 -2.589 3.985) 4.858 3.147 ( 2.475 4.061 -3.793) 6.083 3.225 ( -1.196 1.725 2.829) 3.523 3.322 ( -3.881 0.286 5.772) 6.961 3.396 ( -0.133 2.425 1.296) 2.753 3.460 ( -2.250 -3.308 3.309) 5.192 3.482 ( 1.565 -3.458 -4.413) 5.820 3.519 ( 2.966 7.194 -2.467) 8.164 3.586 ( 4.641 0.159 -3.806) 6.004 3.642 ( 0.821 2.489 -2.955) 3.950 3.669 ( 5.222 -1.010 -0.545) 5.347 3.745 ( -0.574 3.998 0.309) 4.051 3.827 ( 2.077 0.836 2.368) 3.259 3.904 ( -0.353 -0.678 3.056) 3.150 3.946 ( -5.048 0.542 -1.285) 5.237 4.073 ( -5.981 -1.312 3.010) 6.823 4.079 ( 1.663 1.133 4.186) 4.645 4.131 ( -1.473 5.530 0.287) 5.730 4.196 ( -7.893 -3.165 6.404) 10.646 4.297 ( -2.712 -0.222 -0.479) 2.762 4.331 ( -0.068 2.046 5.017) 5.418 4.407 ( 0.935 2.707 -0.270) 2.877 4.450 ( 3.592 6.544 -6.503) 9.900 4.513 ( -4.841 -1.967 3.697) 6.401 4.635 ( -4.049 -4.781 -5.929) 8.626 4.727 ( 3.428 4.728 -9.705) 11.327 4.744 ( 1.630 -4.789 -1.956) 5.424 4.774 ( -5.016 3.813 4.592) 7.796 4.860 ( -5.021 0.240 2.585) 5.652 4.880 ( -3.566 -2.254 4.833) 6.415 4.970 ( 4.225 -0.462 -2.015) 4.704 5.043 ( -0.221 2.434 -0.104) 2.446 5.095 ( -2.914 -1.376 3.120) 4.485 5.168 ( 0.307 -2.931 -1.873) 3.491 5.250 ( 2.481 -5.534 -2.207) 6.454 5.283 ( -1.920 6.357 -9.395) 11.505 5.412 ( -1.102 -1.705 -1.600) 2.585 5.436 ( -2.607 -1.331 -3.682) 4.704 5.498 ( 1.850 -9.600 0.701) 9.802 5.524 ( -2.754 0.516 0.265) 2.815 5.604 ( -2.841 -6.831 4.814) 8.826 5.639 ( -0.055 2.788 -0.186) 2.794 5.748 ( -1.590 -0.181 -4.613) 4.883 5.798 ( 1.546 -3.478 -2.503) 4.555 5.845 ( 2.827 1.002 -2.869) 4.151 5.911 ( -2.057 -2.671 3.699) 5.005 5.949 ( 2.549 2.626 1.362) 3.905 6.029 ( 1.885 3.318 6.272) 7.342 6.087 ( 3.594 -4.394 4.191) 7.056 6.167 ( -1.980 -0.325 0.562) 2.084 6.241 ( 8.614 4.007 -4.722) 10.609 6.257 ( -0.184 -4.733 2.921) 5.565 6.344 ( 0.456 3.262 2.052) 3.881 6.434 ( 1.187 2.199 2.239) 3.355 6.468 ( 1.528 2.715 0.448) 3.148 6.515 ( 2.420 -2.735 0.812) 3.742 6.543 ( 4.437 1.408 -6.496) 7.992 6.648 ( -1.694 1.858 -4.183) 4.881 6.745 ( 4.729 2.521 -2.297) 5.831 6.790 ( 3.167 -0.818 3.136) 4.531 6.834 ( 4.423 -0.639 -1.116) 4.606 6.981 ( 1.112 2.586 -1.911) 3.402 7.070 ( -1.781 2.760 -0.906) 3.407 7.153 ( 1.196 -0.673 2.349) 2.721 7.279 ( 2.143 1.520 -1.256) 2.912 7.359 ( 1.134 -0.464 1.812) 2.188 7.425 ( 0.535 -1.463 1.259) 2.003 7.538 ( 1.548 1.308 -1.908) 2.783 7.719 ( -1.467 -4.126 -0.883) 4.467 7.939 ( -2.979 -3.140 1.815) 4.694 8.045 ( -2.446 -0.502 3.544) 4.336 8.089 ( 0.220 -5.370 0.181) 5.378 8.229 ( -1.710 -2.937 -3.341) 4.766 8.297 ( 0.895 0.407 0.403) 1.063 8.372 ( -1.528 2.336 2.694) 3.879 8.404 ( 2.337 4.242 -0.108) 4.844 8.502 ( 0.549 0.990 -1.405) 1.804 8.532 ( 0.884 1.263 3.103) 3.464 8.683 ( 1.417 0.324 -2.564) 2.947 8.821 ( 0.940 0.984 -0.034) 1.361 8.960 ( 0.842 1.247 -1.515) 2.136 9.005 ( -1.837 -2.668 3.851) 5.033 9.251 ( 1.692 -4.135 -0.751) 4.530 9.984 ( -0.094 4.853 0.619) 4.893 10.178 ( -1.868 2.396 -1.200) 3.267 10.214 ( 0.342 2.262 -2.713) 3.549 10.413 ( -0.486 0.452 -3.754) 3.812 10.477 ( -0.303 -3.257 3.511) 4.799 10.667 ( -0.471 -5.740 4.245) 7.155 10.730 ( 3.479 4.130 -2.215) 5.837 10.857 ( 0.501 -4.712 -0.215) 4.744 11.004 ( 0.268 0.731 2.017) 2.163 11.039 ( 1.242 0.659 -0.345) 1.448 11.091 ( -0.246 -7.219 2.355) 7.598 11.205 ( -2.288 -1.092 -0.139) 2.539 11.291 ( 0.099 0.273 -3.127) 3.141 11.343 ( 2.161 0.346 -1.976) 2.949 11.420 ( 4.350 -1.370 -3.384) 5.679 11.482 ( -1.817 -0.054 2.488) 3.081 11.537 ( 0.312 0.007 1.970) 1.995 11.583 ( -1.224 4.032 3.232) 5.311 11.634 ( 1.204 1.852 0.251) 2.223 11.705 ( -0.198 2.808 0.497) 2.859 11.770 ( 0.580 1.023 0.082) 1.179 11.835 ( 0.182 -0.434 1.696) 1.760 11.896 ( 3.227 0.655 -2.606) 4.199 11.977 ( 0.737 0.151 -0.290) 0.806 12.797 ( -0.707 0.975 2.486) 2.763 13.006 ( 5.061 -2.813 6.329) 8.578 13.036 ( 2.238 0.864 1.913) 3.068 13.125 ( 3.073 0.680 -5.375) 6.229 14.027 ( 0.034 2.287 4.205) 4.787 14.111 ( -5.332 1.555 -4.123) 6.917 14.286 ( -2.495 -2.296 0.356) 3.409 14.325 ( -4.401 -2.669 -0.360) 5.160 14.854 ( -0.022 5.859 0.548) 5.884 14.894 ( -1.140 0.297 -0.755) 1.400 14.949 ( -2.377 1.249 0.995) 2.863 15.278 ( -0.636 -5.034 -4.365) 6.693 16.548 ( -0.624 0.209 0.114) 0.668 16.563 ( -0.150 -0.090 0.045) 0.181 16.647 ( -1.112 0.316 0.175) 1.169 16.663 ( -0.808 0.537 -0.515) 1.098 16.757 ( -0.082 3.052 2.449) 3.914 16.793 ( 0.385 5.875 -1.319) 6.034 17.091 ( -0.901 -2.978 2.529) 4.009 17.305 ( 0.596 -4.953 -2.603) 5.627 22.923 ( 1.646 -0.369 -2.208) 2.778 22.959 ( 0.309 0.396 0.372) 0.625 23.272 ( -0.670 -2.473 1.038) 2.764 23.465 ( -1.808 -1.713 1.875) 3.117 23.491 ( -2.754 1.350 2.026) 3.676 23.664 ( 2.706 2.674 6.363) 7.414 23.718 ( 9.307 -1.021 -2.068) 9.589 23.813 ( 0.655 -2.892 1.660) 3.398 23.972 ( 8.935 8.136 3.041) 12.462 24.004 ( 3.145 3.153 1.715) 4.772 24.189 ( 1.671 -2.893 -3.830) 5.082 24.370 ( 3.556 -0.529 -1.269) 3.813 24.607 ( 8.622 3.649 2.457) 9.679 24.740 ( -0.835 -0.305 5.183) 5.258 24.890 ( -2.943 1.537 -1.915) 3.833 25.186 ( 4.812 -5.371 -1.909) 7.459 25.452 ( -9.529 -3.668 -5.653) 11.671 25.647 ( -8.612 -6.409 2.002) 10.921 25.710 ( 0.258 0.786 8.861) 8.900 25.932 ( -4.766 -10.734 -11.306) 16.302 25.975 ( -1.048 4.557 0.651) 4.721 26.491 ( -3.431 -3.053 -16.777) 17.394 27.171 ( 1.881 7.015 4.267) 8.424 27.288 ( 2.375 5.573 6.391) 8.806 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -5.615 29.353 10.273) 31.602 1.002 ( -14.605 17.659 13.923) 26.814 1.521 ( -31.229 3.841 26.307) 41.013 1.801 ( -3.218 5.392 -7.778) 9.997 1.844 ( 3.455 -3.300 0.973) 4.876 1.973 ( -14.702 -0.236 10.173) 17.880 2.064 ( -0.599 2.685 -3.311) 4.305 2.083 ( -0.482 -3.296 0.064) 3.332 2.355 ( 0.178 2.548 -10.446) 10.754 2.383 ( 6.046 -5.569 -2.444) 8.576 2.496 ( 4.201 -4.587 2.916) 6.870 2.576 ( -2.760 -0.135 -4.730) 5.478 2.724 ( 0.443 0.431 3.606) 3.658 2.805 ( -0.472 2.244 -3.757) 4.401 2.849 ( -5.786 -8.641 1.902) 10.571 2.918 ( -2.206 -2.689 0.057) 3.479 3.015 ( 0.641 -1.380 1.523) 2.153 3.056 ( 0.468 1.021 3.323) 3.507 3.207 ( 0.812 1.666 -2.652) 3.236 3.243 ( 1.210 -1.692 3.194) 3.812 3.288 ( 2.138 1.282 0.621) 2.569 3.368 ( -1.287 4.598 1.004) 4.880 3.381 ( -3.865 0.497 1.155) 4.065 3.469 ( -4.279 -4.115 -1.611) 6.152 3.563 ( 3.574 5.812 -2.094) 7.137 3.627 ( 1.544 4.076 -3.001) 5.292 3.669 ( -7.839 -0.380 0.451) 7.861 3.689 ( 3.158 -1.001 -1.896) 3.817 3.783 ( -1.793 -0.920 -4.292) 4.742 3.819 ( 1.328 1.245 2.520) 3.109 3.849 ( -2.972 0.096 -2.950) 4.189 3.882 ( -1.011 -3.489 0.253) 3.641 4.004 ( -0.243 -3.144 -3.899) 5.014 4.071 ( -2.666 1.469 2.406) 3.880 4.115 ( 3.391 1.215 1.980) 4.111 4.180 ( 3.788 9.266 1.938) 10.196 4.280 ( -0.720 0.257 0.990) 1.251 4.341 ( -4.970 8.338 0.313) 9.712 4.399 ( 0.614 1.468 3.287) 3.652 4.460 ( -0.613 -7.348 -1.730) 7.574 4.516 ( 0.478 -3.608 -3.120) 4.794 4.596 ( 3.946 3.563 -4.000) 6.653 4.683 ( -4.583 4.137 0.693) 6.213 4.735 ( -1.173 -0.204 1.547) 1.952 4.777 ( 1.544 -3.990 -4.782) 6.416 4.833 ( 1.948 -2.729 2.184) 4.001 4.890 ( 1.572 2.624 0.699) 3.137 4.948 ( -1.410 -1.642 0.938) 2.359 5.041 ( -0.179 0.994 -3.497) 3.640 5.110 ( 1.652 3.361 0.542) 3.784 5.170 ( 1.381 -0.439 -8.305) 8.430 5.263 ( -1.891 0.804 -3.135) 3.748 5.306 ( 3.398 -1.149 -3.800) 5.226 5.327 ( -1.475 -0.773 -3.766) 4.118 5.405 ( -0.674 -1.121 -0.296) 1.341 5.487 ( -0.753 -3.399 2.245) 4.143 5.522 ( -2.210 -5.397 0.522) 5.856 5.578 ( 2.178 -6.130 -1.355) 6.645 5.677 ( 1.177 1.908 2.272) 3.192 5.714 ( 2.132 1.965 -0.747) 2.994 5.762 ( -4.208 -2.351 0.619) 4.859 5.834 ( -1.534 0.553 -5.532) 5.768 5.919 ( 1.556 -0.846 0.893) 1.983 6.056 ( 5.044 -3.867 -0.109) 6.357 6.064 ( 1.050 2.140 3.689) 4.392 6.115 ( -0.740 0.294 5.518) 5.575 6.188 ( 3.345 -2.037 3.965) 5.574 6.275 ( 1.471 -3.078 2.268) 4.096 6.353 ( 0.977 1.162 2.692) 3.090 6.391 ( 3.541 7.138 -3.889) 8.866 6.467 ( 3.874 -0.183 -0.914) 3.984 6.470 ( -3.195 4.201 -1.720) 5.551 6.552 ( -2.360 4.484 1.040) 5.173 6.573 ( 1.760 -1.369 0.770) 2.359 6.629 ( 3.172 -0.976 -4.259) 5.399 6.795 ( 0.828 -1.073 2.620) 2.950 6.841 ( 1.620 1.306 -3.363) 3.955 6.915 ( 1.654 2.481 1.129) 3.188 6.986 ( -3.020 0.855 -0.123) 3.141 7.044 ( 1.338 -3.097 -1.962) 3.903 7.179 ( 1.235 1.961 0.456) 2.362 7.314 ( 1.863 2.296 1.297) 3.229 7.369 ( -0.117 -0.708 2.399) 2.504 7.415 ( -0.472 -1.142 4.094) 4.276 7.568 ( 2.658 3.704 -0.024) 4.559 7.688 ( -1.087 -6.088 -0.557) 6.209 7.853 ( -4.517 -4.277 1.650) 6.436 8.024 ( -3.937 -3.662 8.222) 9.824 8.062 ( -1.020 3.164 -1.753) 3.758 8.201 ( 0.240 -2.695 -2.588) 3.744 8.320 ( 1.213 -0.909 -1.769) 2.330 8.341 ( -0.777 2.722 1.413) 3.164 8.470 ( 1.565 1.253 1.181) 2.327 8.506 ( 2.050 5.134 -3.996) 6.821 8.555 ( 0.643 -1.033 2.645) 2.911 8.712 ( 1.650 1.427 -3.473) 4.101 8.844 ( 1.103 -0.585 -0.805) 1.485 8.948 ( -1.560 -0.536 -3.120) 3.529 9.010 ( 1.757 -1.533 5.428) 5.908 9.272 ( 0.534 -3.742 -1.051) 3.923 9.978 ( -0.533 5.005 1.322) 5.204 10.150 ( -0.759 1.879 -1.688) 2.638 10.212 ( -0.293 2.634 -2.683) 3.772 10.402 ( -0.083 0.357 -2.924) 2.947 10.471 ( -1.459 -4.078 5.769) 7.214 10.626 ( -3.982 -4.662 6.718) 9.095 10.779 ( 1.188 -1.012 -2.107) 2.622 10.867 ( 0.254 -4.060 1.424) 4.310 11.020 ( -0.128 -2.748 1.063) 2.949 11.076 ( 2.748 -1.046 -2.897) 4.128 11.089 ( 1.843 -4.121 0.516) 4.543 11.183 ( -0.994 -2.469 -0.835) 2.790 11.321 ( 3.727 2.693 -2.302) 5.142 11.382 ( 1.797 1.501 -2.064) 3.121 11.428 ( -3.659 1.067 2.477) 4.545 11.489 ( 2.065 0.056 1.014) 2.301 11.531 ( -1.251 1.320 2.690) 3.247 11.593 ( 2.701 2.527 -0.167) 3.702 11.653 ( 0.747 0.574 0.467) 1.052 11.712 ( 0.981 1.715 -1.070) 2.247 11.780 ( 0.240 1.827 1.144) 2.169 11.838 ( -0.046 -0.249 1.976) 1.992 11.958 ( 3.170 -0.404 -2.324) 3.951 11.996 ( 1.018 0.159 -1.439) 1.770 12.777 ( -1.622 0.607 2.563) 3.093 13.048 ( -2.962 -7.743 7.831) 11.404 13.127 ( 6.807 1.010 -1.784) 7.109 13.184 ( 2.067 -3.875 0.168) 4.395 14.002 ( -3.138 2.331 -1.392) 4.150 14.026 ( -1.374 2.613 3.600) 4.656 14.231 ( -2.716 -2.205 -0.837) 3.597 14.252 ( -2.770 -2.124 0.180) 3.495 14.850 ( -1.015 1.590 0.760) 2.034 14.885 ( 1.315 3.149 -0.509) 3.450 14.923 ( -0.238 3.224 -0.371) 3.254 15.229 ( -4.274 -4.232 -6.924) 9.172 16.540 ( -0.179 0.143 0.022) 0.230 16.560 ( -0.289 -0.569 -0.075) 0.642 16.626 ( -1.016 0.334 0.437) 1.156 16.650 ( -0.400 0.268 -0.469) 0.673 16.750 ( -0.950 3.854 2.431) 4.655 16.804 ( 0.759 6.006 -1.038) 6.142 17.078 ( -0.632 -2.842 3.214) 4.337 17.315 ( 0.738 -4.926 -2.529) 5.586 22.957 ( 1.439 1.856 -0.228) 2.359 22.964 ( 0.556 2.765 -0.616) 2.886 23.243 ( -2.441 -7.353 5.283) 9.377 23.367 ( -5.680 -4.269 4.480) 8.400 23.486 ( -0.207 3.039 -0.242) 3.056 23.734 ( 3.383 3.174 4.112) 6.199 23.847 ( 2.972 -2.947 -4.732) 6.317 23.932 ( 11.530 -2.502 -1.869) 11.946 24.050 ( 2.603 2.287 -1.311) 3.704 24.190 ( 10.765 4.779 1.726) 11.904 24.242 ( 4.638 0.666 -0.357) 4.699 24.431 ( 1.337 1.653 -0.067) 2.127 24.595 ( -8.509 2.143 -2.906) 9.243 24.799 ( -0.389 -1.027 -1.307) 1.707 24.887 ( 5.621 1.315 -1.495) 5.963 25.237 ( -0.273 -5.440 -0.211) 5.451 25.266 ( -7.329 -4.646 -2.803) 9.119 25.378 ( -17.845 -10.463 -6.816) 21.780 25.722 ( -0.372 3.695 9.911) 10.584 25.848 ( -1.590 1.617 -0.065) 2.269 25.967 ( 0.291 1.152 2.605) 2.863 26.393 ( -3.077 -5.980 -13.226) 14.838 27.241 ( 2.591 5.730 6.611) 9.124 27.386 ( 9.403 7.179 2.021) 12.001 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -19.386 11.027 24.752) 33.318 1.170 ( -13.895 7.969 11.295) 19.600 1.401 ( -0.840 3.438 14.739) 15.158 1.670 ( -2.520 -12.054 4.882) 13.247 1.820 ( 1.121 6.399 -6.340) 9.077 1.941 ( 0.268 -1.286 -3.759) 3.982 2.077 ( 4.135 8.412 7.292) 11.875 2.249 ( 1.835 4.402 -1.279) 4.937 2.314 ( -3.361 -0.831 -2.132) 4.066 2.386 ( -0.957 -3.045 0.290) 3.205 2.497 ( 8.455 1.308 0.693) 8.584 2.560 ( -1.272 -5.321 -1.394) 5.645 2.670 ( 5.796 4.800 -8.197) 11.128 2.799 ( 3.178 0.694 1.613) 3.631 2.820 ( 3.404 -3.207 -4.602) 6.561 2.921 ( -1.965 -5.991 -4.542) 7.771 2.987 ( -1.985 7.186 1.877) 7.688 3.081 ( 0.718 1.241 2.625) 2.991 3.137 ( 0.265 -2.948 0.895) 3.093 3.185 ( -2.029 -5.151 1.292) 5.685 3.296 ( 1.749 2.091 2.149) 3.472 3.371 ( -2.142 -2.999 1.836) 4.117 3.397 ( -3.143 2.604 3.384) 5.302 3.419 ( 0.122 2.510 0.495) 2.562 3.473 ( -1.523 -0.830 -7.575) 7.771 3.558 ( -3.905 -4.842 -8.741) 10.729 3.651 ( -2.595 0.993 -0.290) 2.794 3.684 ( 1.464 -2.545 1.353) 3.232 3.780 ( 0.173 0.002 4.987) 4.990 3.820 ( -0.343 0.948 -4.950) 5.051 3.865 ( 1.838 1.700 -4.849) 5.458 3.932 ( 0.580 -6.553 2.894) 7.187 4.060 ( -1.529 9.167 -1.497) 9.413 4.150 ( -3.144 6.690 -0.196) 7.395 4.162 ( 2.398 1.729 3.714) 4.747 4.205 ( 2.193 -1.374 -0.425) 2.623 4.305 ( 0.744 -0.760 1.951) 2.222 4.333 ( -5.060 -1.596 -1.381) 5.483 4.400 ( 0.967 2.167 -0.037) 2.373 4.466 ( -0.272 -0.964 5.807) 5.893 4.528 ( 3.804 0.039 8.149) 8.993 4.571 ( -0.395 2.921 -2.415) 3.811 4.639 ( 1.822 -6.724 1.116) 7.055 4.666 ( -0.806 -1.914 -0.704) 2.193 4.774 ( 0.456 4.859 -5.686) 7.493 4.861 ( -2.208 -0.635 0.259) 2.312 4.945 ( 0.978 2.444 2.322) 3.510 5.039 ( 0.736 -3.782 1.387) 4.095 5.086 ( 0.987 -2.180 -4.873) 5.429 5.115 ( 2.630 -5.056 -0.587) 5.729 5.187 ( 1.380 5.372 -5.441) 7.770 5.221 ( -0.130 0.647 -6.077) 6.113 5.289 ( 3.315 -0.003 -0.382) 3.337 5.316 ( 0.698 -2.173 0.677) 2.381 5.434 ( 2.254 2.020 -2.780) 4.110 5.455 ( 5.890 -1.213 -3.253) 6.837 5.496 ( 2.689 -1.749 -9.323) 9.859 5.536 ( -2.813 -2.682 -3.138) 4.996 5.591 ( 1.456 4.456 0.126) 4.690 5.695 ( 2.226 -4.024 -1.103) 4.729 5.801 ( -3.411 1.520 -0.071) 3.735 5.851 ( -3.903 -2.818 2.147) 5.271 5.888 ( -3.884 -1.586 1.973) 4.636 5.922 ( -1.690 -4.630 0.845) 5.000 6.131 ( 1.088 4.082 4.525) 6.190 6.192 ( 0.005 -0.118 1.676) 1.680 6.287 ( 0.883 2.306 0.067) 2.470 6.335 ( 1.413 -0.407 -0.435) 1.533 6.416 ( -1.930 1.308 0.486) 2.381 6.437 ( 2.088 1.236 1.334) 2.769 6.472 ( 4.268 4.909 0.451) 6.520 6.526 ( 1.316 -0.133 -2.029) 2.422 6.555 ( -3.507 5.036 -2.918) 6.796 6.617 ( 0.106 2.970 -4.519) 5.409 6.657 ( -0.605 -1.976 1.951) 2.842 6.793 ( 0.648 -5.463 2.096) 5.887 6.822 ( -1.986 0.915 -0.510) 2.245 6.852 ( -1.391 -2.639 -3.684) 4.740 7.013 ( -0.258 3.159 4.247) 5.299 7.070 ( 1.244 -0.794 4.516) 4.751 7.217 ( -0.723 1.682 0.510) 1.901 7.284 ( 0.643 -2.624 -2.618) 3.762 7.401 ( -0.436 1.380 3.581) 3.862 7.459 ( -0.200 -2.545 -0.868) 2.696 7.591 ( 1.549 2.070 4.281) 5.001 7.649 ( 5.267 -3.193 4.345) 7.538 7.761 ( -1.013 0.626 5.398) 5.527 7.838 ( -3.216 -5.459 6.868) 9.344 8.122 ( -0.203 1.032 -2.440) 2.657 8.153 ( -0.226 -2.158 -2.759) 3.510 8.317 ( -1.905 1.661 -1.003) 2.719 8.352 ( -1.281 -1.301 -1.405) 2.303 8.477 ( -0.857 2.228 1.241) 2.690 8.523 ( -1.146 -1.843 1.857) 2.857 8.706 ( 3.753 5.776 -4.605) 8.286 8.766 ( 2.393 0.113 -4.226) 4.858 8.842 ( -0.326 0.169 -0.478) 0.602 8.879 ( -0.783 -2.744 -1.305) 3.138 9.079 ( 1.350 3.644 0.548) 3.924 9.180 ( 0.247 -5.193 -1.650) 5.454 10.069 ( -1.821 4.132 3.928) 5.985 10.131 ( -2.970 -2.056 3.295) 4.890 10.235 ( 0.112 5.051 -2.003) 5.435 10.374 ( -0.273 -5.755 -2.515) 6.286 10.445 ( -0.675 0.697 2.905) 3.063 10.466 ( -2.439 -0.894 3.588) 4.429 10.723 ( -1.106 0.322 -2.858) 3.081 10.797 ( -1.767 -4.128 -1.756) 4.821 10.936 ( -0.839 1.933 1.768) 2.750 11.031 ( 0.824 -5.230 -2.829) 6.003 11.091 ( -0.793 0.320 -0.165) 0.871 11.129 ( 2.392 -2.779 -1.279) 3.884 11.370 ( -1.709 0.377 0.661) 1.871 11.377 ( -1.053 -0.243 -1.629) 1.955 11.502 ( 2.678 3.265 -0.240) 4.230 11.520 ( -0.768 1.222 1.684) 2.218 11.591 ( 2.149 2.026 0.673) 3.029 11.644 ( 1.674 -2.641 -0.501) 3.166 11.685 ( -0.888 2.677 1.395) 3.146 11.727 ( -1.197 -0.969 0.257) 1.562 11.813 ( 0.181 1.165 2.080) 2.390 11.835 ( 0.238 -0.738 3.360) 3.449 11.998 ( 0.907 0.906 -1.930) 2.317 12.016 ( 1.698 -0.651 -0.860) 2.011 12.745 ( -3.545 1.469 6.087) 7.195 12.794 ( -4.718 -2.959 8.021) 9.765 13.194 ( 0.544 2.724 -4.953) 5.679 13.241 ( 4.054 -1.690 -2.855) 5.239 14.057 ( -0.959 3.918 1.099) 4.181 14.081 ( 1.405 2.692 1.064) 3.218 14.150 ( 1.529 -3.574 -0.216) 3.893 14.153 ( -0.529 -3.715 0.143) 3.756 14.869 ( 0.511 1.579 1.488) 2.229 14.899 ( 0.274 -1.058 1.059) 1.522 15.027 ( 0.557 3.181 -2.024) 3.811 15.095 ( -0.840 -2.850 -3.520) 4.607 16.542 ( 0.011 0.155 0.276) 0.317 16.546 ( -0.100 -0.205 0.359) 0.425 16.626 ( -0.136 0.655 0.124) 0.680 16.639 ( -0.043 -0.581 -0.157) 0.603 16.852 ( -1.001 6.470 2.018) 6.851 16.965 ( 0.462 0.855 0.212) 0.995 17.003 ( -0.504 3.077 1.272) 3.367 17.181 ( 0.535 -8.488 -1.703) 8.673 23.024 ( -3.551 4.789 0.984) 6.042 23.064 ( 2.818 2.031 0.412) 3.498 23.118 ( -0.977 -1.542 4.485) 4.842 23.177 ( -1.725 -5.661 3.094) 6.678 23.569 ( 0.124 4.480 -1.613) 4.763 23.667 ( -2.313 -4.403 -1.428) 5.175 23.934 ( 2.292 3.473 -0.432) 4.184 24.038 ( 5.137 -5.854 -0.001) 7.788 24.123 ( -0.845 3.500 -2.578) 4.428 24.174 ( -3.648 -1.020 -3.191) 4.952 24.420 ( -7.580 2.619 -3.550) 8.770 24.439 ( -5.507 1.276 -4.727) 7.369 24.582 ( 1.795 7.079 2.126) 7.607 24.724 ( 2.569 -5.229 1.029) 5.917 24.894 ( -3.612 3.426 -4.745) 6.877 25.001 ( -2.852 -6.526 -5.045) 8.728 25.182 ( 3.471 -0.184 1.525) 3.796 25.207 ( 3.142 -2.202 1.440) 4.098 25.824 ( -0.030 4.055 6.080) 7.308 25.889 ( 2.303 -1.442 3.555) 4.474 26.064 ( 1.855 4.388 2.086) 5.201 26.205 ( 3.125 -8.338 -3.764) 9.667 27.387 ( -0.392 7.179 1.173) 7.285 27.526 ( 3.194 -6.105 -1.208) 6.995 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 6.316 6.665 9.781) 13.416 1.033 ( -0.409 -1.025 10.086) 10.146 1.460 ( 5.777 8.195 5.345) 11.362 1.672 ( 2.273 -7.691 0.819) 8.062 1.834 ( 1.744 6.350 -5.906) 8.846 1.983 ( 2.514 -6.383 -4.576) 8.246 2.143 ( -0.221 4.912 1.768) 5.226 2.259 ( 1.874 9.273 3.422) 10.060 2.296 ( -1.704 -9.476 2.087) 9.852 2.374 ( 0.578 -0.049 5.496) 5.526 2.549 ( 2.693 4.640 -1.371) 5.537 2.650 ( 6.255 -0.828 3.990) 7.465 2.700 ( -4.093 4.407 -10.059) 11.720 2.789 ( -1.294 -0.777 -0.017) 1.509 2.887 ( 2.077 -1.783 2.945) 4.021 2.958 ( 5.354 -3.232 -0.714) 6.295 3.026 ( 2.987 -0.294 2.190) 3.716 3.068 ( 3.137 0.555 -6.095) 6.878 3.176 ( -0.361 2.509 4.756) 5.390 3.182 ( 2.465 0.882 -0.927) 2.777 3.301 ( -2.881 -1.163 -4.271) 5.281 3.326 ( -0.352 1.412 -0.635) 1.588 3.419 ( 1.922 0.510 -0.710) 2.112 3.452 ( 5.816 2.084 0.207) 6.181 3.487 ( 1.234 -1.020 -3.444) 3.798 3.583 ( 5.667 -0.092 1.041) 5.763 3.598 ( 0.522 0.104 -2.237) 2.300 3.696 ( -1.575 -4.886 4.107) 6.574 3.750 ( -3.157 0.074 -4.399) 5.415 3.798 ( 1.032 -3.581 4.201) 5.616 3.858 ( -1.166 2.510 -3.477) 4.444 3.939 ( 0.721 -4.089 0.435) 4.175 4.075 ( 0.124 5.060 0.986) 5.157 4.085 ( 1.380 7.527 1.787) 7.858 4.162 ( -4.287 -0.490 4.380) 6.148 4.219 ( 1.726 -3.922 -2.159) 4.799 4.264 ( -1.005 4.915 -0.612) 5.054 4.358 ( 0.309 -3.622 1.879) 4.092 4.433 ( -2.778 0.306 1.453) 3.150 4.443 ( 3.122 0.271 -1.726) 3.578 4.514 ( 0.074 4.537 5.899) 7.442 4.641 ( -1.410 4.331 -1.072) 4.679 4.666 ( 1.680 -5.473 3.813) 6.878 4.718 ( 5.811 -3.016 1.424) 6.700 4.799 ( 2.707 2.688 -1.353) 4.047 4.857 ( 2.130 -0.477 -1.534) 2.668 4.944 ( -2.004 -0.091 0.766) 2.147 5.016 ( -2.655 -5.022 -2.280) 6.121 5.085 ( 0.811 -0.705 -3.876) 4.022 5.161 ( 2.779 -5.839 0.254) 6.472 5.181 ( -1.477 3.253 -3.082) 4.718 5.230 ( 0.281 -2.481 -3.652) 4.424 5.316 ( -0.161 0.624 -0.084) 0.650 5.342 ( 0.873 -1.483 1.820) 2.505 5.437 ( 0.385 3.261 -5.444) 6.357 5.505 ( 1.498 -1.860 -5.241) 5.760 5.573 ( 1.689 4.419 -3.484) 5.875 5.577 ( 5.303 1.049 2.353) 5.895 5.608 ( 2.532 1.050 -1.255) 3.014 5.719 ( -1.127 -6.106 0.016) 6.209 5.765 ( -1.064 0.234 3.449) 3.617 5.795 ( -0.892 -3.826 0.486) 3.959 5.838 ( 0.531 0.855 -0.834) 1.307 5.901 ( 0.778 -4.626 -0.098) 4.692 6.047 ( -6.555 2.962 1.789) 7.413 6.107 ( -7.462 -1.903 0.252) 7.705 6.261 ( -2.094 2.449 -1.746) 3.665 6.301 ( -2.101 -1.282 -1.951) 3.141 6.372 ( -5.307 2.976 0.734) 6.129 6.425 ( -7.298 -1.293 1.711) 7.607 6.483 ( -0.733 6.017 -2.915) 6.726 6.524 ( -0.958 4.067 -4.572) 6.194 6.566 ( -3.194 -2.790 -2.183) 4.770 6.607 ( 2.111 0.359 -6.539) 6.881 6.704 ( 2.224 3.550 3.828) 5.675 6.747 ( 0.677 5.906 4.099) 7.220 6.774 ( -1.380 -1.017 2.535) 3.060 6.943 ( 3.197 -7.409 1.121) 8.147 7.012 ( 1.380 2.745 1.391) 3.373 7.085 ( 0.575 -3.904 2.938) 4.920 7.183 ( -2.293 4.720 1.262) 5.397 7.285 ( -0.807 -3.471 -0.559) 3.607 7.406 ( 0.154 -0.135 2.887) 2.894 7.446 ( -0.740 -3.557 0.535) 3.672 7.606 ( -0.782 5.290 3.697) 6.501 7.751 ( 3.874 -7.352 3.573) 9.046 7.800 ( 2.617 -1.058 2.457) 3.743 7.812 ( 0.842 -1.518 4.454) 4.780 8.091 ( -2.394 0.904 -1.614) 3.025 8.137 ( -0.866 -3.091 -0.778) 3.303 8.283 ( -0.755 1.990 -0.485) 2.183 8.325 ( -0.916 -2.004 -3.109) 3.811 8.451 ( -2.032 1.634 0.300) 2.625 8.482 ( -3.289 -1.229 0.587) 3.560 8.763 ( 2.452 5.204 -2.790) 6.394 8.791 ( 0.559 1.410 -2.305) 2.759 8.827 ( -1.241 -0.165 0.549) 1.367 8.868 ( -0.232 -2.296 -0.987) 2.510 9.102 ( 0.747 1.868 0.997) 2.245 9.175 ( -0.492 -4.449 -1.550) 4.737 10.038 ( -1.670 3.829 2.497) 4.867 10.090 ( -0.930 -1.522 0.936) 2.015 10.250 ( 1.583 4.093 -3.098) 5.372 10.376 ( 0.521 -6.664 -1.432) 6.836 10.425 ( -0.753 2.439 4.104) 4.833 10.457 ( 0.729 0.107 -0.006) 0.737 10.697 ( -1.051 1.720 -2.046) 2.872 10.773 ( -0.342 -3.997 -1.501) 4.283 10.925 ( -0.466 1.710 0.745) 1.923 11.029 ( -0.570 -5.568 -1.975) 5.936 11.089 ( 0.406 1.172 0.092) 1.243 11.152 ( -0.037 -3.725 1.749) 4.116 11.351 ( 0.106 1.913 -2.732) 3.337 11.371 ( 0.848 -0.197 -3.537) 3.643 11.479 ( -3.221 3.163 2.720) 5.270 11.522 ( -0.375 0.260 0.901) 1.010 11.602 ( -1.890 0.943 0.417) 2.153 11.645 ( -2.051 -1.135 1.753) 2.928 11.683 ( 0.822 0.577 0.205) 1.025 11.702 ( -0.344 -0.182 1.910) 1.949 11.817 ( -0.220 1.485 0.425) 1.560 11.844 ( 0.024 -0.501 2.113) 2.171 12.001 ( -0.240 1.878 -1.016) 2.149 12.037 ( 0.328 -1.153 0.465) 1.286 12.717 ( 0.253 1.923 4.105) 4.540 12.758 ( -0.267 -1.704 3.903) 4.267 13.177 ( -1.683 5.642 -3.173) 6.688 13.282 ( 0.100 -4.295 -0.806) 4.371 14.039 ( -0.264 4.512 0.163) 4.523 14.124 ( 1.756 -2.505 0.649) 3.127 14.192 ( 4.507 -1.680 0.767) 4.871 14.210 ( 4.048 -2.288 0.161) 4.652 14.896 ( 1.881 1.148 1.612) 2.730 14.916 ( 1.323 -0.455 1.335) 1.934 15.023 ( -0.706 3.695 -1.672) 4.116 15.097 ( 1.377 -2.977 -3.903) 5.098 16.546 ( 0.455 0.190 0.261) 0.558 16.550 ( 0.491 -0.201 0.395) 0.661 16.631 ( 0.692 0.689 -0.041) 0.978 16.645 ( 0.644 -0.565 -0.192) 0.878 16.832 ( -1.075 6.964 1.398) 7.184 16.967 ( -0.237 -2.678 0.511) 2.737 16.998 ( -0.151 5.994 0.840) 6.054 17.186 ( 0.079 -8.493 -1.383) 8.605 22.963 ( -2.093 4.209 -0.782) 4.765 23.038 ( -3.453 -1.872 0.393) 3.948 23.147 ( 2.234 0.935 3.356) 4.138 23.187 ( 0.753 -2.881 2.879) 4.142 23.567 ( -1.425 3.228 0.686) 3.595 23.617 ( -1.184 -0.961 -2.578) 2.995 23.878 ( -7.482 3.549 -1.794) 8.473 23.986 ( -8.073 -4.136 -0.479) 9.083 24.057 ( -3.455 3.908 -3.319) 6.183 24.129 ( -1.204 -1.598 1.598) 2.561 24.314 ( -2.895 3.456 1.622) 4.792 24.395 ( 0.368 -4.511 0.177) 4.530 24.543 ( -2.626 9.864 -4.264) 11.062 24.723 ( -2.321 -6.010 -4.412) 7.808 24.885 ( -0.478 5.192 2.114) 5.626 25.051 ( 5.300 -8.786 -0.472) 10.272 25.234 ( 2.858 2.099 -3.132) 4.731 25.284 ( 5.809 -2.170 -1.805) 6.458 25.849 ( 1.941 4.040 6.046) 7.526 25.962 ( 3.983 -6.564 3.936) 8.628 26.103 ( 1.946 7.475 -0.056) 7.724 26.281 ( 3.710 -9.032 -4.653) 10.816 27.356 ( -2.617 9.194 0.700) 9.585 27.540 ( -1.749 -8.600 1.137) 8.850 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 13.334 1.039 0.506) 13.384 1.221 ( 17.431 -3.732 -3.029) 18.081 1.612 ( 8.616 11.067 0.051) 14.026 1.753 ( 6.468 -0.202 -4.655) 7.971 1.883 ( 3.461 3.709 -1.852) 5.400 1.981 ( -1.640 -5.987 -5.964) 8.609 2.161 ( 1.951 1.332 3.938) 4.593 2.251 ( 0.326 -1.468 1.896) 2.420 2.316 ( 4.055 -4.633 -4.043) 7.366 2.380 ( -1.814 -6.119 2.391) 6.815 2.568 ( -5.277 5.335 -9.659) 12.231 2.610 ( 1.635 4.070 -3.963) 5.912 2.685 ( -0.955 -1.438 1.049) 2.020 2.832 ( -1.517 -8.605 4.241) 9.713 2.943 ( 0.853 3.135 0.510) 3.289 2.983 ( -2.031 1.359 3.158) 3.993 3.044 ( 1.486 2.789 3.861) 4.989 3.111 ( 4.023 -1.496 6.532) 7.816 3.198 ( 0.772 5.114 -3.307) 6.139 3.265 ( 5.360 6.888 0.805) 8.765 3.304 ( 0.388 1.348 -0.740) 1.586 3.325 ( 2.594 1.805 -2.377) 3.955 3.422 ( -6.078 4.127 2.313) 7.702 3.485 ( 1.239 -2.263 -0.105) 2.582 3.514 ( 5.540 3.896 -2.464) 7.207 3.544 ( -3.482 -3.252 -6.589) 8.132 3.721 ( 2.245 -1.084 -0.592) 2.562 3.740 ( 2.824 -2.770 2.904) 4.908 3.807 ( 7.793 -0.966 -2.462) 8.229 3.858 ( 8.205 1.153 -0.444) 8.298 3.916 ( 4.667 -2.915 3.019) 6.276 3.973 ( -3.877 -0.045 2.808) 4.788 3.996 ( 0.314 4.395 3.080) 5.376 4.067 ( -1.780 -1.427 4.960) 5.460 4.207 ( 6.086 3.274 -0.913) 6.971 4.255 ( 1.570 -1.856 1.078) 2.659 4.288 ( 4.603 1.076 0.448) 4.748 4.338 ( 1.058 -0.446 -3.947) 4.110 4.404 ( -0.640 2.844 3.188) 4.319 4.471 ( -1.034 -1.198 2.155) 2.674 4.564 ( -4.210 3.504 0.271) 5.484 4.594 ( 5.716 2.975 5.598) 8.536 4.687 ( -4.015 -5.931 5.512) 9.038 4.754 ( 1.153 -2.442 0.344) 2.722 4.827 ( 1.714 -1.393 1.788) 2.842 4.843 ( -5.748 -4.876 -0.810) 7.581 4.953 ( 3.818 -0.197 -4.438) 5.858 4.985 ( 0.080 -2.756 -2.299) 3.590 5.115 ( -0.604 1.022 0.099) 1.191 5.150 ( -0.461 -0.085 1.243) 1.328 5.191 ( 0.909 1.906 -3.630) 4.199 5.270 ( 6.275 -4.405 1.133) 7.751 5.312 ( 0.629 1.368 -0.904) 1.756 5.346 ( 0.938 -1.040 -1.125) 1.796 5.448 ( 0.468 3.228 -2.822) 4.313 5.519 ( -1.636 -2.658 1.016) 3.282 5.569 ( -1.002 4.332 -0.519) 4.476 5.636 ( -1.734 2.001 2.115) 3.389 5.652 ( 0.898 -1.650 2.214) 2.903 5.706 ( -0.286 -4.375 1.209) 4.548 5.750 ( 1.590 0.587 0.824) 1.885 5.797 ( 1.140 -4.009 -0.563) 4.206 5.901 ( 2.639 1.795 -2.644) 4.144 5.927 ( -4.467 0.169 1.721) 4.790 5.957 ( 1.891 0.245 -2.523) 3.163 5.996 ( -0.214 -3.207 -1.272) 3.457 6.224 ( -6.374 3.168 -3.281) 7.838 6.232 ( -3.803 1.458 -1.150) 4.232 6.259 ( -5.658 -1.326 -0.248) 5.816 6.288 ( -0.835 -1.476 -5.020) 5.299 6.423 ( -4.770 0.999 -1.408) 5.073 6.458 ( -6.544 -1.413 -1.415) 6.843 6.489 ( -2.770 6.855 -0.485) 7.409 6.629 ( 0.346 -4.438 -4.219) 6.133 6.664 ( -0.926 2.789 -0.416) 2.968 6.718 ( -3.112 -2.228 1.374) 4.066 6.855 ( 3.032 5.449 4.069) 7.446 6.942 ( -0.527 -0.917 -1.224) 1.618 6.993 ( -4.452 4.033 -0.552) 6.032 7.099 ( -0.481 -4.601 -1.195) 4.778 7.187 ( 1.156 4.625 4.493) 6.551 7.278 ( 0.711 -3.892 2.302) 4.577 7.401 ( -1.303 -0.002 1.293) 1.836 7.433 ( -1.163 -2.775 3.399) 4.540 7.556 ( -4.733 4.092 1.934) 6.549 7.696 ( -7.690 -8.088 3.538) 11.708 7.869 ( 3.595 0.373 -0.780) 3.697 7.891 ( 4.554 -1.169 1.348) 4.891 8.086 ( 3.136 1.782 -2.502) 4.390 8.138 ( 1.325 -2.754 -0.476) 3.093 8.290 ( 1.354 0.323 -0.679) 1.549 8.321 ( 0.696 -1.886 -0.803) 2.165 8.401 ( -3.620 0.984 0.519) 3.788 8.413 ( -2.532 -0.113 -1.005) 2.726 8.764 ( -1.958 2.434 -0.114) 3.126 8.796 ( -2.275 0.117 3.657) 4.309 8.812 ( 1.912 2.715 -2.128) 3.944 8.867 ( 0.228 -1.134 -1.124) 1.613 9.106 ( -0.454 0.582 1.554) 1.721 9.158 ( -1.057 -4.004 -0.584) 4.182 10.022 ( 0.052 4.808 0.195) 4.812 10.098 ( 1.437 -2.371 -2.987) 4.075 10.277 ( 1.403 3.082 -2.005) 3.936 10.381 ( 0.194 -5.295 2.079) 5.692 10.448 ( 2.351 2.236 -0.297) 3.258 10.481 ( 1.789 -0.023 -1.781) 2.524 10.688 ( 0.388 3.710 -1.011) 3.864 10.779 ( 0.916 -4.787 -0.583) 4.909 10.926 ( 0.695 1.071 0.244) 1.299 11.016 ( -0.417 -3.824 -0.423) 3.870 11.095 ( 0.119 -0.079 -0.577) 0.595 11.141 ( -1.029 -2.632 1.166) 3.057 11.354 ( 0.220 2.408 -2.772) 3.678 11.387 ( 0.626 -0.346 -3.341) 3.416 11.416 ( -3.281 2.557 2.516) 4.861 11.489 ( -3.680 -3.843 2.206) 5.761 11.556 ( -1.352 2.566 -0.067) 2.902 11.601 ( -2.174 -1.272 1.647) 3.009 11.693 ( 0.784 1.678 -0.103) 1.855 11.722 ( 1.176 -0.391 1.119) 1.670 11.803 ( -1.215 1.735 0.303) 2.140 11.834 ( -1.220 -0.516 1.421) 1.942 11.992 ( -0.639 2.413 0.453) 2.537 12.032 ( -0.876 -0.864 1.600) 2.018 12.744 ( 1.572 1.520 2.001) 2.964 12.774 ( 1.176 -1.180 1.647) 2.342 13.131 ( -2.542 6.021 -2.000) 6.834 13.242 ( -3.793 -4.491 -0.259) 5.884 14.048 ( 0.935 5.152 0.621) 5.273 14.160 ( 1.972 -4.860 0.588) 5.278 14.277 ( 3.196 -0.622 0.172) 3.260 14.290 ( 4.336 -1.458 -0.021) 4.574 14.932 ( 1.538 1.374 0.853) 2.232 14.955 ( 2.297 -0.683 1.969) 3.101 15.008 ( -0.471 5.819 -1.302) 5.982 15.122 ( 1.418 -4.803 -3.419) 6.064 16.558 ( 0.651 0.182 0.313) 0.744 16.562 ( 0.595 -0.211 0.580) 0.857 16.651 ( 1.252 0.658 -0.302) 1.446 16.663 ( 1.180 -0.476 -0.348) 1.319 16.818 ( -0.520 7.085 0.875) 7.158 16.960 ( -0.438 -2.604 -0.369) 2.666 16.997 ( -0.029 5.141 1.275) 5.296 17.181 ( -0.352 -8.437 -1.242) 8.535 22.937 ( -1.074 2.486 -1.376) 3.037 22.977 ( -2.546 -1.064 -0.239) 2.769 23.188 ( 1.583 0.560 1.714) 2.399 23.211 ( 2.310 -1.821 -1.595) 3.346 23.526 ( -1.388 4.574 1.673) 5.064 23.615 ( -0.488 -3.537 1.403) 3.836 23.754 ( -3.622 3.690 -0.985) 5.264 23.842 ( -5.539 -3.127 0.584) 6.388 23.988 ( -4.560 5.349 0.750) 7.068 24.085 ( -3.417 -2.041 3.540) 5.327 24.282 ( -1.145 3.243 1.854) 3.907 24.370 ( -2.558 -4.463 1.018) 5.244 24.542 ( 1.705 5.503 -3.436) 6.708 24.657 ( -4.040 -2.611 -3.651) 6.039 24.853 ( -1.874 5.987 0.607) 6.302 25.076 ( -1.674 -12.039 1.163) 12.211 25.342 ( 7.824 3.987 -4.934) 10.072 25.424 ( 7.933 -3.433 -3.260) 9.238 25.897 ( 1.631 3.887 7.307) 8.435 26.011 ( -0.088 -6.716 4.766) 8.236 26.141 ( 2.351 7.361 -4.222) 8.805 26.319 ( 1.685 -8.736 -8.696) 12.441 27.305 ( -2.536 9.675 1.469) 10.109 27.480 ( -4.228 -7.214 3.481) 9.057 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 15.034 1.003 -3.354) 15.437 1.498 ( 10.883 -2.920 -8.277) 13.981 1.747 ( 4.824 11.158 1.443) 12.242 1.855 ( -0.368 4.731 -2.617) 5.419 1.955 ( 4.806 -0.895 -1.992) 5.279 1.995 ( 8.359 -8.500 -3.053) 12.306 2.184 ( -0.376 1.307 -1.352) 1.918 2.333 ( -1.159 -5.856 -10.499) 12.077 2.361 ( 7.510 -2.585 3.197) 8.562 2.382 ( 4.530 -2.712 -4.444) 6.901 2.479 ( -3.390 2.803 -5.561) 7.090 2.598 ( -3.990 -1.919 -4.721) 6.472 2.736 ( 5.049 1.300 -1.978) 5.577 2.758 ( -0.617 -0.493 7.013) 7.057 2.860 ( -2.871 -2.683 -4.463) 5.946 2.913 ( -3.162 -3.679 3.416) 5.933 3.115 ( -6.965 6.336 -5.663) 10.988 3.182 ( 2.704 2.443 4.815) 6.038 3.218 ( 4.547 6.341 5.820) 9.734 3.273 ( -5.985 1.234 -1.137) 6.216 3.302 ( -0.166 -1.076 -4.104) 4.246 3.327 ( -1.276 -1.710 1.113) 2.407 3.388 ( 5.286 6.327 1.450) 8.371 3.446 ( -2.753 1.443 -4.424) 5.407 3.573 ( 5.605 1.904 3.294) 6.774 3.662 ( -0.884 -2.540 0.445) 2.726 3.728 ( -3.323 9.318 -0.570) 9.909 3.778 ( -0.515 2.424 2.681) 3.651 3.797 ( -2.364 3.422 0.756) 4.227 3.868 ( 5.664 -2.029 2.329) 6.451 3.889 ( -1.499 -5.213 8.082) 9.734 3.976 ( 1.111 -8.445 -0.212) 8.520 4.114 ( 2.376 5.696 1.433) 6.336 4.214 ( -4.247 -1.759 -0.639) 4.641 4.268 ( 3.950 0.733 -2.517) 4.741 4.322 ( 4.248 1.070 4.364) 6.184 4.354 ( 7.030 -0.737 -3.137) 7.733 4.386 ( 7.294 3.609 4.804) 9.450 4.426 ( 2.078 0.637 5.475) 5.891 4.468 ( 3.619 -1.480 0.335) 3.925 4.528 ( -1.813 -2.898 0.308) 3.432 4.610 ( -2.177 -8.539 0.360) 8.819 4.697 ( 2.397 5.943 5.645) 8.539 4.742 ( 0.105 3.566 0.557) 3.611 4.792 ( -1.199 -3.617 0.862) 3.907 4.914 ( -2.391 0.131 -1.990) 3.113 4.941 ( 7.647 -4.744 2.852) 9.440 5.046 ( 2.892 -5.775 -1.167) 6.564 5.088 ( 0.442 2.878 1.558) 3.302 5.132 ( 0.694 -0.759 1.974) 2.226 5.254 ( -1.053 3.549 1.441) 3.973 5.279 ( -2.236 1.003 0.497) 2.501 5.345 ( -1.167 2.330 5.990) 6.532 5.381 ( -0.605 2.205 -0.136) 2.291 5.406 ( -6.131 -0.416 6.086) 8.649 5.491 ( -0.239 4.596 -3.644) 5.870 5.508 ( -2.475 -5.095 2.237) 6.090 5.597 ( -0.868 -4.472 -4.128) 6.148 5.647 ( 2.276 2.359 -1.248) 3.507 5.704 ( 1.417 -2.063 1.429) 2.882 5.758 ( -2.597 0.066 -1.941) 3.243 5.822 ( 0.572 -2.069 -1.197) 2.458 5.864 ( -3.480 1.093 -1.533) 3.956 5.918 ( 0.910 -0.983 0.049) 1.341 6.002 ( 1.300 1.185 3.147) 3.606 6.049 ( 3.276 -0.526 -3.589) 4.887 6.103 ( -3.418 -0.561 -1.279) 3.692 6.162 ( 0.433 -3.768 -3.648) 5.263 6.235 ( 0.428 1.181 -0.825) 1.503 6.285 ( -1.730 -3.355 -1.052) 3.919 6.335 ( -2.219 2.076 -3.870) 4.920 6.361 ( -1.909 -2.234 -3.523) 4.588 6.430 ( -2.284 6.295 0.371) 6.706 6.592 ( -3.328 -6.975 0.592) 7.751 6.661 ( -0.031 3.145 -1.987) 3.720 6.702 ( 0.672 -0.706 -1.414) 1.718 6.859 ( -3.188 3.361 0.280) 4.641 6.890 ( -4.879 1.338 0.049) 5.059 6.964 ( 2.511 3.148 -5.006) 6.424 7.061 ( -1.295 -3.682 -4.371) 5.860 7.200 ( -0.024 5.240 2.473) 5.794 7.287 ( -1.402 -2.433 1.066) 3.003 7.351 ( -3.484 -0.046 0.601) 3.535 7.397 ( -2.918 -1.849 3.190) 4.702 7.449 ( -5.170 3.065 1.048) 6.101 7.580 ( -3.210 -7.292 5.384) 9.616 7.930 ( 3.245 0.876 -2.526) 4.204 7.956 ( 2.358 -1.237 -0.945) 2.825 8.158 ( 1.775 0.673 1.028) 2.159 8.172 ( 2.524 -0.836 -1.277) 2.950 8.314 ( -1.601 0.090 1.146) 1.970 8.338 ( 3.610 -1.661 -1.418) 4.218 8.360 ( 0.265 1.330 -0.842) 1.596 8.393 ( 0.385 -0.404 -1.299) 1.413 8.710 ( -3.622 2.380 2.730) 5.122 8.746 ( -3.282 -1.030 5.047) 6.108 8.849 ( 2.030 2.297 -1.293) 3.327 8.875 ( 1.126 -0.002 -2.588) 2.822 9.089 ( -1.531 -0.012 2.442) 2.882 9.133 ( -1.578 -3.955 0.576) 4.297 10.038 ( 1.583 5.709 -1.743) 6.176 10.126 ( 1.930 -2.515 -4.557) 5.552 10.295 ( 0.551 2.596 -0.344) 2.676 10.394 ( 0.777 -5.773 2.633) 6.392 10.487 ( 1.306 1.805 -0.612) 2.310 10.512 ( 1.379 -0.262 -2.253) 2.655 10.705 ( 1.289 4.629 -0.956) 4.900 10.797 ( 0.811 -4.597 0.409) 4.685 10.954 ( 2.055 0.717 0.046) 2.177 11.019 ( 0.873 -2.040 -0.066) 2.220 11.086 ( -1.173 0.938 -0.449) 1.568 11.129 ( 0.187 -3.084 -1.911) 3.633 11.330 ( -2.903 1.725 3.130) 4.604 11.370 ( -3.344 -1.171 1.263) 3.762 11.376 ( -0.070 0.286 -2.405) 2.423 11.418 ( -2.369 -2.488 -1.177) 3.631 11.549 ( 0.251 2.277 -0.073) 2.292 11.589 ( 0.972 -1.144 -1.460) 2.095 11.712 ( 0.902 2.400 0.921) 2.724 11.742 ( 0.721 -0.103 0.457) 0.860 11.776 ( -1.489 1.299 0.957) 2.196 11.806 ( -1.695 -0.702 1.200) 2.192 11.976 ( -1.281 2.630 1.801) 3.435 12.012 ( -1.287 -0.659 2.194) 2.628 12.774 ( 1.274 1.353 1.718) 2.530 12.800 ( 1.398 -1.174 1.092) 2.127 13.085 ( -1.769 4.296 -1.912) 5.024 13.158 ( -4.250 -2.608 -1.060) 5.098 14.067 ( 0.792 5.561 1.935) 5.941 14.195 ( 1.426 -6.016 1.407) 6.341 14.315 ( 0.872 1.431 -1.220) 2.072 14.355 ( 2.225 -2.352 -0.716) 3.316 14.956 ( 0.845 2.142 0.518) 2.361 14.991 ( 0.855 -0.522 0.797) 1.280 15.007 ( 0.569 5.882 0.064) 5.910 15.140 ( 0.966 -5.862 -2.621) 6.493 16.569 ( 0.367 0.161 0.475) 0.621 16.572 ( 0.283 -0.141 0.703) 0.771 16.673 ( 1.010 0.622 -0.433) 1.263 16.684 ( 0.912 -0.353 -0.526) 1.111 16.816 ( 0.197 6.917 0.722) 6.957 16.949 ( -0.558 -0.023 -1.424) 1.530 17.002 ( 0.287 2.028 1.845) 2.757 17.171 ( -0.472 -8.345 -1.327) 8.463 22.905 ( -1.831 1.447 0.184) 2.341 22.943 ( -1.386 -1.935 -0.421) 2.417 23.219 ( 2.306 2.698 -4.189) 5.491 23.274 ( 4.260 -2.125 -5.550) 7.312 23.538 ( 1.960 3.614 3.560) 5.439 23.607 ( 0.546 -3.142 2.753) 4.213 23.728 ( -0.660 1.855 4.580) 4.985 23.783 ( -1.290 -1.959 3.682) 4.365 23.888 ( -5.269 7.030 1.936) 8.996 24.012 ( -4.555 -2.583 4.385) 6.830 24.251 ( -2.583 2.637 -0.983) 3.820 24.333 ( -1.039 -2.793 -3.095) 4.296 24.548 ( -1.516 1.136 -0.159) 1.901 24.586 ( -1.623 -1.281 0.333) 2.094 24.838 ( 0.505 6.294 0.242) 6.319 25.049 ( -0.834 -10.183 -0.014) 10.217 25.475 ( 6.216 2.172 -3.562) 7.487 25.548 ( 5.092 -3.740 -2.759) 6.895 25.907 ( -1.738 1.331 4.707) 5.191 25.966 ( -4.779 -3.731 2.014) 6.389 26.181 ( 2.580 6.989 -5.957) 9.538 26.353 ( 3.155 -8.326 -9.134) 12.756 27.270 ( -1.351 8.119 3.323) 8.876 27.402 ( -4.179 -4.516 4.342) 7.531 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 4.654 2.495 -6.786) 8.598 1.675 ( 8.292 -2.738 -9.807) 13.131 1.797 ( -1.554 6.800 5.886) 9.127 1.847 ( 4.425 5.652 1.809) 7.403 1.989 ( -3.486 -0.948 -0.722) 3.684 2.158 ( 4.373 -1.285 0.546) 4.590 2.190 ( 2.897 -2.689 -5.177) 6.513 2.259 ( -4.727 -10.867 -3.047) 12.236 2.384 ( 0.123 3.971 -1.864) 4.388 2.465 ( -2.177 1.692 -6.475) 7.037 2.518 ( 6.786 0.372 -5.606) 8.810 2.620 ( 10.657 -6.827 -3.472) 13.124 2.702 ( -5.342 9.629 -0.994) 11.057 2.771 ( -1.895 -2.580 -1.961) 3.755 2.866 ( -5.004 -4.414 -4.378) 7.980 2.925 ( 1.832 -2.453 -2.363) 3.868 3.039 ( 7.531 2.488 -0.888) 7.981 3.110 ( -9.656 -8.173 -10.122) 16.202 3.218 ( 1.266 2.564 -2.488) 3.790 3.255 ( 0.196 8.750 7.620) 11.605 3.280 ( 1.928 0.816 1.537) 2.597 3.348 ( 1.953 1.034 4.133) 4.687 3.443 ( 0.555 4.448 2.659) 5.212 3.461 ( 0.474 2.562 5.918) 6.466 3.551 ( -3.237 5.469 1.592) 6.552 3.627 ( -2.467 -0.434 1.146) 2.754 3.727 ( 4.547 5.533 2.444) 7.567 3.757 ( -0.952 3.484 -0.010) 3.612 3.808 ( 1.389 2.557 -0.251) 2.921 3.864 ( -6.740 -6.348 1.306) 9.350 3.952 ( -0.578 -0.658 4.892) 4.970 3.979 ( -3.512 -3.225 -0.633) 4.810 4.044 ( -3.209 -5.106 -2.026) 6.362 4.079 ( 1.312 -4.348 -0.895) 4.629 4.331 ( 0.835 2.165 4.748) 5.285 4.388 ( -1.442 1.275 4.781) 5.154 4.441 ( -5.287 -0.281 0.384) 5.308 4.460 ( -1.850 0.671 -2.502) 3.183 4.485 ( -0.596 -0.690 5.166) 5.246 4.527 ( 6.062 4.590 1.926) 7.844 4.585 ( 0.562 -5.982 3.538) 6.973 4.601 ( 5.686 -2.749 1.630) 6.522 4.665 ( -1.941 6.099 0.746) 6.444 4.752 ( -1.798 -2.236 2.666) 3.917 4.767 ( 1.773 4.636 -1.322) 5.137 4.909 ( 0.313 -2.916 -1.225) 3.179 5.013 ( -10.061 2.410 6.296) 12.111 5.021 ( 0.098 -0.040 2.897) 2.899 5.076 ( -1.952 0.496 2.847) 3.487 5.140 ( 1.204 -4.288 -0.178) 4.457 5.232 ( -3.707 0.377 0.967) 3.850 5.254 ( 1.413 -3.223 -3.923) 5.270 5.336 ( 4.334 4.451 6.164) 8.751 5.356 ( 0.211 -0.084 3.100) 3.109 5.387 ( 0.240 -0.792 0.632) 1.041 5.417 ( -0.062 -0.443 6.991) 7.005 5.523 ( -1.013 2.766 -5.174) 5.953 5.589 ( -1.214 -1.626 -2.950) 3.580 5.674 ( -2.698 4.772 -3.672) 6.598 5.713 ( 1.848 2.147 -3.272) 4.328 5.757 ( -1.722 -2.949 0.995) 3.557 5.804 ( 1.688 -4.684 -1.301) 5.146 5.819 ( 2.343 0.561 -1.129) 2.660 5.903 ( -0.928 -6.749 2.701) 7.329 6.020 ( -0.617 3.048 5.990) 6.749 6.079 ( 1.112 -0.561 -0.376) 1.301 6.114 ( 2.742 -3.067 -0.038) 4.114 6.161 ( -1.149 -3.185 -2.044) 3.955 6.273 ( 0.665 1.446 -0.191) 1.603 6.302 ( 6.050 1.573 -3.219) 7.032 6.323 ( -0.646 0.156 -1.981) 2.089 6.348 ( 1.603 -0.466 -3.121) 3.540 6.422 ( 1.317 2.441 -3.442) 4.420 6.527 ( -3.022 -3.085 -2.971) 5.242 6.638 ( -2.340 1.280 -0.737) 2.767 6.695 ( -1.302 -2.672 -2.704) 4.018 6.769 ( -3.068 3.243 -0.368) 4.479 6.816 ( -2.392 -1.404 -1.687) 3.246 7.009 ( 2.342 3.000 -6.897) 7.878 7.072 ( 1.798 -2.139 -6.028) 6.644 7.191 ( -1.421 5.454 1.771) 5.907 7.258 ( 1.181 3.158 -0.108) 3.374 7.309 ( -2.248 -3.344 2.107) 4.547 7.352 ( 0.834 -4.492 -1.754) 4.894 7.421 ( 0.666 5.835 6.559) 8.804 7.568 ( 0.517 -7.625 5.274) 9.285 7.975 ( 1.241 -0.001 -2.409) 2.710 7.986 ( 1.179 -0.649 -2.277) 2.645 8.158 ( -1.415 0.616 1.386) 2.075 8.189 ( -0.835 -2.147 -0.260) 2.318 8.308 ( 0.481 3.766 0.725) 3.865 8.380 ( 1.449 -0.930 -0.743) 1.875 8.399 ( 2.343 -0.783 -0.953) 2.648 8.410 ( 1.817 -0.495 -2.278) 2.956 8.644 ( -3.328 2.666 4.139) 5.943 8.691 ( -2.928 -1.688 5.009) 6.042 8.877 ( 0.997 2.780 -1.180) 3.180 8.912 ( 2.734 0.102 -2.981) 4.046 9.055 ( -2.396 -0.083 3.433) 4.187 9.107 ( -0.906 -4.487 0.990) 4.683 10.073 ( 2.082 6.218 -2.319) 6.956 10.159 ( 2.010 -2.011 -4.098) 4.987 10.296 ( -0.432 3.048 0.321) 3.095 10.412 ( 0.630 -6.645 1.309) 6.802 10.489 ( -0.975 1.271 0.099) 1.605 10.522 ( -0.040 -1.705 -0.710) 1.848 10.731 ( 1.584 4.613 -2.130) 5.323 10.810 ( 0.509 -2.806 0.921) 2.996 10.994 ( 1.674 1.077 1.799) 2.684 11.043 ( 0.950 -0.864 -0.333) 1.326 11.057 ( -1.467 2.217 -0.735) 2.758 11.142 ( 1.399 -5.588 -3.752) 6.874 11.282 ( -2.255 0.017 2.998) 3.752 11.304 ( -2.499 -2.082 3.704) 4.929 11.371 ( -0.240 1.221 -3.427) 3.646 11.404 ( 0.667 -1.660 -2.950) 3.450 11.563 ( 1.075 2.826 -0.844) 3.140 11.615 ( 1.465 -1.629 -1.792) 2.830 11.721 ( -0.611 2.617 2.748) 3.844 11.740 ( -0.356 2.276 -0.141) 2.308 11.765 ( -0.048 -0.977 2.228) 2.433 11.785 ( -0.039 -0.996 -0.055) 0.999 11.947 ( -1.852 3.166 2.011) 4.183 11.990 ( -1.364 -1.004 2.163) 2.747 12.801 ( 1.280 1.402 2.285) 2.971 12.832 ( 1.760 -1.549 1.960) 3.056 13.062 ( -0.342 2.507 -2.489) 3.550 13.095 ( -1.776 -0.568 -2.205) 2.888 14.083 ( 0.544 5.656 3.016) 6.433 14.215 ( 0.395 -6.422 2.180) 6.794 14.309 ( -1.175 2.743 -2.430) 3.848 14.370 ( -0.549 -3.051 -1.507) 3.447 14.962 ( -0.384 2.214 0.226) 2.259 14.992 ( -0.620 1.660 0.008) 1.772 15.019 ( 0.272 3.875 0.716) 3.950 15.153 ( 0.659 -6.347 -1.977) 6.680 16.572 ( -0.135 0.137 0.563) 0.595 16.574 ( -0.170 -0.044 0.644) 0.667 16.684 ( 0.108 0.560 -0.379) 0.685 16.692 ( 0.019 -0.161 -0.618) 0.639 16.826 ( 0.736 6.469 1.053) 6.595 16.937 ( -0.438 2.187 -1.865) 2.907 17.012 ( 0.422 -0.146 2.043) 2.091 17.162 ( -0.275 -8.246 -1.583) 8.401 22.879 ( -0.711 0.766 0.096) 1.049 22.918 ( -1.037 -2.536 -0.119) 2.743 23.271 ( 3.697 3.978 -6.972) 8.837 23.350 ( 4.522 -3.246 -7.267) 9.154 23.585 ( 1.598 4.923 4.390) 6.787 23.632 ( -0.144 0.095 4.393) 4.397 23.716 ( -1.137 2.644 8.208) 8.698 23.769 ( -1.537 -3.677 4.436) 5.963 23.844 ( 1.856 3.684 3.250) 5.252 23.934 ( -3.404 -2.996 4.103) 6.115 24.201 ( -1.643 3.764 -3.144) 5.172 24.303 ( -1.634 -3.418 -4.764) 6.087 24.529 ( 0.730 4.132 0.167) 4.200 24.602 ( 2.925 -3.669 1.937) 5.076 24.872 ( 2.478 4.471 2.941) 5.898 25.034 ( -1.093 -7.738 -0.786) 7.854 25.564 ( 3.191 0.518 -2.849) 4.309 25.616 ( 2.418 -3.106 -1.283) 4.140 25.843 ( -5.480 -1.991 -0.131) 5.832 25.855 ( -5.556 -1.991 -1.497) 6.089 26.220 ( 1.634 8.396 -4.537) 9.683 26.401 ( 2.459 -8.312 -8.171) 11.912 27.260 ( -0.315 5.807 4.817) 7.551 27.338 ( -2.713 -1.738 3.677) 4.889 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -3.867 12.491 0.798) 13.100 1.740 ( 1.327 1.203 -7.789) 7.992 1.786 ( -1.836 3.220 -0.954) 3.828 1.862 ( -1.238 -2.270 -1.270) 2.881 1.987 ( 5.132 -3.340 -0.780) 6.172 2.134 ( -2.913 3.023 -2.536) 4.904 2.171 ( -3.535 -8.819 8.241) 12.577 2.293 ( 0.099 0.134 -8.255) 8.257 2.327 ( -6.354 4.233 1.285) 7.742 2.392 ( -2.322 3.917 -1.395) 4.762 2.504 ( -11.513 -2.615 3.339) 12.269 2.646 ( 1.906 -0.905 0.570) 2.186 2.736 ( -2.861 -6.892 -4.455) 8.691 2.762 ( 4.032 -2.662 -5.128) 7.046 2.843 ( 6.208 -1.384 -5.994) 8.740 2.905 ( -0.110 -6.573 -11.315) 13.086 3.040 ( 3.945 6.180 -2.998) 7.921 3.182 ( 5.455 -2.458 -0.844) 6.042 3.205 ( -7.199 6.664 4.039) 10.609 3.277 ( 0.142 6.582 3.762) 7.582 3.344 ( -3.536 1.516 -0.118) 3.849 3.379 ( 3.860 -1.897 4.219) 6.024 3.428 ( 0.173 0.834 2.128) 2.292 3.470 ( 3.060 -3.125 2.820) 5.204 3.572 ( 2.256 8.505 -2.996) 9.295 3.598 ( -1.626 4.450 3.074) 5.647 3.656 ( -5.562 -0.959 1.066) 5.744 3.742 ( -3.112 0.412 0.381) 3.162 3.787 ( 3.259 -1.442 2.593) 4.407 3.847 ( 0.870 0.864 1.347) 1.821 3.911 ( 2.290 6.102 -3.041) 7.192 3.951 ( -8.018 -1.431 -4.081) 9.110 4.082 ( 6.152 -5.043 7.186) 10.720 4.106 ( -0.481 -7.021 7.163) 10.042 4.234 ( -7.209 4.483 0.620) 8.512 4.273 ( -6.174 4.827 2.616) 8.262 4.336 ( -5.940 -6.057 1.921) 8.699 4.383 ( -6.062 -0.190 1.811) 6.329 4.429 ( -8.083 -4.995 -0.511) 9.516 4.483 ( -3.532 -2.245 5.105) 6.602 4.550 ( -1.792 2.752 2.169) 3.936 4.694 ( 2.269 -1.654 1.379) 3.128 4.721 ( 5.774 5.262 -0.592) 7.834 4.759 ( -3.835 7.621 2.106) 8.788 4.833 ( 5.935 -1.166 0.888) 6.113 4.882 ( 0.667 1.167 -3.149) 3.424 4.971 ( 2.710 0.522 -2.839) 3.959 5.000 ( -6.001 -2.832 1.803) 6.877 5.042 ( 1.613 -3.354 0.229) 3.729 5.078 ( -4.295 -2.076 -0.202) 4.775 5.188 ( -1.791 -0.432 0.082) 1.844 5.214 ( -3.586 -1.289 -1.517) 4.101 5.248 ( -8.047 1.585 5.276) 9.751 5.356 ( -0.723 -5.399 6.451) 8.443 5.451 ( -2.005 1.604 -3.478) 4.323 5.478 ( -2.381 0.115 -2.684) 3.590 5.497 ( 3.205 3.587 -2.675) 5.504 5.603 ( 4.543 -5.127 -6.325) 9.324 5.662 ( 2.153 4.692 -0.978) 5.255 5.705 ( -1.431 1.201 0.028) 1.868 5.755 ( -3.276 -2.967 2.332) 4.997 5.784 ( 2.399 -5.989 0.595) 6.479 5.894 ( 2.305 3.464 2.157) 4.686 5.968 ( 3.296 -2.168 3.486) 5.265 6.019 ( 0.165 2.498 2.070) 3.248 6.074 ( 0.455 -0.135 -1.250) 1.337 6.146 ( 0.922 -0.483 -2.735) 2.926 6.168 ( 2.242 -1.068 -1.614) 2.962 6.223 ( -2.780 1.740 2.724) 4.264 6.314 ( 2.061 -5.596 0.829) 6.021 6.400 ( 1.744 4.701 -0.124) 5.015 6.440 ( 6.721 3.315 -2.213) 7.814 6.465 ( 1.648 -1.549 -1.912) 2.962 6.516 ( 3.833 -1.499 -7.428) 8.493 6.599 ( 0.666 1.337 -2.005) 2.501 6.689 ( 1.449 -5.826 -3.459) 6.929 6.771 ( 2.238 2.878 1.354) 3.889 6.793 ( 0.008 0.530 -1.946) 2.017 7.034 ( 0.863 3.111 -4.355) 5.421 7.091 ( 0.474 -2.603 -4.222) 4.982 7.170 ( -0.227 5.000 1.260) 5.161 7.279 ( -0.111 -4.750 -0.095) 4.753 7.321 ( 3.769 5.396 3.116) 7.282 7.418 ( 4.052 -2.734 0.446) 4.908 7.452 ( 1.279 4.237 6.109) 7.544 7.600 ( 1.955 -7.335 3.402) 8.319 7.962 ( -2.265 0.753 -1.008) 2.591 8.002 ( 0.128 -2.383 -2.365) 3.360 8.104 ( -3.780 0.741 0.849) 3.945 8.159 ( -1.325 -3.855 -2.210) 4.637 8.322 ( 0.746 3.450 1.520) 3.844 8.390 ( -0.385 -2.740 2.105) 3.477 8.438 ( 2.469 2.624 -1.562) 3.927 8.464 ( 3.264 -0.301 -2.020) 3.850 8.601 ( -1.619 3.080 2.957) 4.566 8.655 ( -0.931 -1.890 2.057) 2.944 8.879 ( -0.765 3.461 -0.340) 3.561 8.950 ( 0.735 -2.170 -2.105) 3.111 9.018 ( -1.105 2.342 2.992) 3.957 9.111 ( 1.259 -5.407 0.248) 5.557 10.104 ( 1.139 6.368 -0.645) 6.502 10.191 ( 1.622 -1.976 -2.540) 3.603 10.280 ( -1.213 4.373 0.317) 4.550 10.416 ( -0.171 -5.620 -1.746) 5.887 10.463 ( -1.418 0.816 0.550) 1.726 10.519 ( -0.034 -4.635 0.593) 4.673 10.754 ( 0.954 3.456 -3.190) 4.799 10.820 ( 0.470 -1.355 0.744) 1.616 11.013 ( -0.118 1.665 3.509) 3.885 11.033 ( -1.038 1.925 0.834) 2.341 11.047 ( 0.051 -0.062 -0.917) 0.921 11.154 ( -0.411 -7.399 -2.288) 7.756 11.275 ( 1.690 0.143 0.760) 1.859 11.296 ( 1.032 -2.322 2.403) 3.497 11.366 ( 0.503 2.865 -3.747) 4.744 11.421 ( 1.269 -2.162 -1.955) 3.180 11.579 ( 0.432 2.467 -0.304) 2.523 11.626 ( -0.461 -1.687 0.006) 1.749 11.705 ( -0.533 3.599 0.229) 3.645 11.742 ( 0.079 1.085 0.276) 1.122 11.777 ( 1.215 0.059 3.021) 3.257 11.799 ( 1.060 -1.277 0.787) 1.837 11.918 ( -0.967 3.149 0.320) 3.310 11.968 ( -1.001 -1.355 1.380) 2.178 12.826 ( 0.930 2.008 3.201) 3.891 12.874 ( 2.180 -2.359 4.123) 5.226 13.063 ( 0.809 2.247 -2.934) 3.783 13.090 ( 1.400 -0.283 -3.799) 4.059 14.095 ( 0.279 5.230 3.440) 6.266 14.212 ( -1.225 -4.692 1.987) 5.241 14.268 ( -2.623 2.048 -2.750) 4.317 14.333 ( -3.048 -3.380 -1.801) 4.894 14.943 ( -1.466 1.708 0.021) 2.251 14.967 ( -1.969 0.540 0.361) 2.073 15.020 ( -0.062 5.502 0.149) 5.504 15.159 ( 0.152 -6.640 -1.891) 6.906 16.565 ( -0.585 0.211 0.500) 0.798 16.568 ( -0.438 -0.088 0.487) 0.661 16.677 ( -0.789 0.503 -0.251) 0.969 16.684 ( -0.767 -0.125 -0.529) 0.940 16.843 ( 0.769 6.023 1.694) 6.304 16.930 ( 0.009 3.514 -1.807) 3.951 17.020 ( 0.155 -0.839 2.079) 2.247 17.158 ( 0.120 -8.209 -1.889) 8.425 22.883 ( 1.234 0.186 -0.692) 1.427 22.910 ( 0.470 -2.235 -0.435) 2.325 23.327 ( 2.022 4.402 -4.522) 6.627 23.422 ( 2.641 -4.570 -4.032) 6.642 23.579 ( -1.104 5.276 2.635) 6.000 23.600 ( -2.650 2.153 3.841) 5.139 23.715 ( -0.733 0.018 6.826) 6.866 23.747 ( -0.899 -3.410 4.465) 5.690 23.929 ( 4.804 0.843 1.271) 5.040 23.949 ( 5.723 -0.507 4.749) 7.454 24.188 ( 0.438 4.118 -2.208) 4.693 24.281 ( 0.541 -3.492 -3.418) 4.916 24.590 ( 5.599 7.020 0.117) 8.980 24.691 ( 5.447 -1.710 2.691) 6.312 24.918 ( 0.947 -0.330 3.680) 3.814 25.002 ( -1.654 -6.472 -1.915) 6.949 25.561 ( -4.207 0.230 -5.640) 7.040 25.624 ( -2.483 -4.555 -2.261) 5.659 25.738 ( -3.573 -0.019 2.170) 4.180 25.777 ( -1.407 -3.588 -2.044) 4.362 26.216 ( -1.683 9.236 -3.127) 9.895 26.409 ( -0.882 -8.772 -7.870) 11.818 27.269 ( 0.820 4.604 4.077) 6.204 27.317 ( 0.317 0.147 2.619) 2.642 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -9.104 16.957 9.483) 21.456 1.708 ( -3.467 -1.362 2.096) 4.275 1.748 ( -7.325 7.490 -5.496) 11.830 1.852 ( -2.971 -0.512 0.556) 3.066 1.938 ( -4.303 1.722 -2.760) 5.394 2.064 ( -10.379 -2.792 11.755) 15.929 2.156 ( -5.055 -0.062 -6.480) 8.219 2.185 ( -2.552 -0.906 0.499) 2.753 2.229 ( 2.322 -6.358 1.747) 6.991 2.335 ( -0.842 -8.744 -4.379) 9.816 2.430 ( 4.269 8.108 -1.188) 9.240 2.638 ( -2.468 -8.098 0.552) 8.484 2.755 ( 3.587 0.535 -2.087) 4.184 2.782 ( -5.825 -0.657 -0.738) 5.908 2.805 ( -12.655 5.215 3.979) 14.255 2.953 ( 0.521 -1.086 -4.309) 4.474 3.005 ( -0.450 2.872 -3.220) 4.338 3.076 ( -1.758 -0.407 -0.911) 2.021 3.221 ( 1.560 0.867 -8.503) 8.688 3.258 ( 0.883 -1.358 -3.381) 3.749 3.365 ( 1.887 0.930 3.877) 4.411 3.371 ( -2.595 0.764 11.938) 12.241 3.471 ( -2.115 4.905 3.679) 6.486 3.511 ( -4.276 1.472 1.252) 4.692 3.568 ( 5.367 0.260 -2.802) 6.060 3.610 ( 2.264 -1.135 -1.461) 2.924 3.657 ( 3.680 5.053 0.477) 6.269 3.735 ( 0.986 3.755 -4.612) 6.028 3.773 ( -5.717 -3.505 -5.649) 8.768 3.824 ( -1.576 -2.397 0.591) 2.929 3.875 ( -2.743 -3.763 2.627) 5.346 3.905 ( -1.226 1.246 0.940) 1.985 4.068 ( -2.328 3.189 1.400) 4.189 4.137 ( -2.619 -1.332 2.701) 3.991 4.167 ( -4.169 4.577 2.597) 6.714 4.182 ( 1.414 -0.508 9.363) 9.483 4.272 ( -3.700 -7.440 0.534) 8.326 4.308 ( 1.551 -3.565 0.714) 3.953 4.368 ( 4.119 0.996 4.562) 6.227 4.459 ( -0.286 -5.796 -0.294) 5.810 4.518 ( -1.124 3.642 0.014) 3.811 4.636 ( -5.354 -1.711 1.304) 5.770 4.747 ( -3.367 5.626 2.351) 6.966 4.799 ( 3.906 6.691 -3.831) 8.643 4.822 ( -7.472 0.149 4.122) 8.535 4.886 ( 1.955 0.745 -0.799) 2.240 4.947 ( 3.071 5.832 -2.663) 7.109 5.002 ( -1.264 1.382 -2.371) 3.021 5.047 ( -5.847 -0.342 4.610) 7.454 5.083 ( 4.155 -4.047 -4.635) 7.425 5.101 ( 0.892 -2.625 0.667) 2.852 5.170 ( 0.430 3.436 -3.580) 4.981 5.215 ( -0.614 -10.869 0.976) 10.930 5.321 ( -0.915 -6.621 -6.648) 9.427 5.385 ( -4.335 0.048 -4.898) 6.541 5.412 ( -3.450 -1.495 -5.211) 6.426 5.509 ( 0.751 4.433 -2.153) 4.986 5.622 ( -3.822 0.973 3.905) 5.550 5.646 ( 0.023 -4.801 -2.790) 5.553 5.703 ( -2.030 -3.687 1.228) 4.384 5.745 ( 3.343 4.493 -0.470) 5.620 5.856 ( 5.343 -4.244 -1.586) 7.005 5.921 ( -0.970 3.917 -1.042) 4.167 5.969 ( 0.110 -0.960 3.166) 3.310 6.012 ( -0.263 1.760 1.356) 2.238 6.087 ( -1.442 -3.235 3.128) 4.725 6.196 ( 2.016 3.889 1.228) 4.550 6.240 ( 3.277 3.490 -0.790) 4.852 6.266 ( 8.098 -0.100 -1.455) 8.229 6.382 ( 3.491 -5.914 1.284) 6.987 6.431 ( 3.480 1.454 -1.885) 4.217 6.465 ( 1.005 0.123 0.157) 1.024 6.534 ( 2.124 3.806 -0.286) 4.368 6.583 ( 2.899 0.358 -6.543) 7.165 6.673 ( 3.454 0.879 -2.013) 4.093 6.723 ( 1.969 -3.795 0.377) 4.292 6.807 ( 2.633 3.230 0.297) 4.177 6.852 ( 5.277 -0.256 1.381) 5.461 7.023 ( -1.361 1.753 -2.325) 3.214 7.058 ( -3.311 -2.034 -2.083) 4.409 7.202 ( 2.555 4.334 1.456) 5.237 7.300 ( 1.601 -4.618 -0.860) 4.963 7.383 ( 2.089 5.315 6.276) 8.486 7.457 ( -0.767 4.579 2.285) 5.174 7.485 ( 1.814 -3.239 5.774) 6.864 7.622 ( -0.794 -6.796 -0.354) 6.851 7.894 ( -4.457 0.304 1.379) 4.676 7.950 ( -3.903 -4.742 3.966) 7.311 8.084 ( 1.558 2.094 -4.254) 4.991 8.150 ( 0.570 -3.962 -5.480) 6.786 8.335 ( 0.271 2.524 1.834) 3.131 8.378 ( -0.797 -1.195 2.307) 2.718 8.486 ( 1.673 2.070 2.346) 3.548 8.506 ( 1.109 -0.214 2.019) 2.314 8.593 ( 1.098 4.324 -2.516) 5.121 8.669 ( 2.238 -2.160 -2.957) 4.291 8.858 ( -1.029 2.666 -0.041) 2.858 8.929 ( -1.810 -3.756 0.179) 4.173 9.029 ( 1.232 4.669 0.206) 4.833 9.143 ( 1.734 -5.792 -0.587) 6.074 10.110 ( -0.554 5.995 2.311) 6.449 10.203 ( -0.515 -2.829 -0.359) 2.897 10.258 ( -0.801 5.868 -0.222) 5.927 10.406 ( -0.458 -4.860 -3.159) 5.814 10.448 ( -0.081 1.213 0.407) 1.282 10.521 ( -0.149 -5.959 1.445) 6.134 10.757 ( -0.115 1.975 -3.559) 4.072 10.828 ( 0.341 -1.918 -0.461) 2.002 11.001 ( -2.082 1.370 5.797) 6.310 11.020 ( -0.287 0.885 1.327) 1.621 11.050 ( 0.642 -0.050 -2.584) 2.663 11.132 ( -1.140 -6.244 -1.887) 6.622 11.316 ( 2.469 1.658 1.384) 3.280 11.345 ( 3.220 -0.951 0.250) 3.367 11.399 ( 3.497 1.287 -3.741) 5.281 11.443 ( 0.928 -2.092 0.327) 2.312 11.576 ( -0.695 2.048 0.744) 2.287 11.610 ( -0.746 -0.985 0.763) 1.452 11.700 ( -0.097 3.310 -0.669) 3.378 11.740 ( -0.363 -0.042 -0.464) 0.590 11.807 ( 0.989 1.446 3.261) 3.702 11.821 ( 0.780 -0.552 3.214) 3.353 11.920 ( 1.421 1.896 -2.071) 3.147 11.963 ( 0.600 -1.622 -0.571) 1.821 12.837 ( -0.621 2.882 4.654) 5.509 12.914 ( 0.633 -4.382 7.482) 8.694 13.090 ( 2.565 2.589 -3.989) 5.403 13.126 ( 2.688 -0.756 -5.210) 5.912 14.098 ( -0.591 4.369 2.883) 5.268 14.161 ( -3.916 1.878 -0.789) 4.414 14.217 ( -2.432 -3.029 -0.448) 3.910 14.257 ( -4.266 -3.570 -1.159) 5.682 14.909 ( -1.986 1.175 0.221) 2.319 14.927 ( -1.906 0.117 0.561) 1.990 15.019 ( -0.037 5.881 -0.505) 5.903 15.151 ( -0.761 -6.526 -2.371) 6.985 16.553 ( -0.609 0.315 0.343) 0.767 16.560 ( -0.493 -0.259 0.370) 0.669 16.656 ( -1.183 0.475 -0.039) 1.276 16.665 ( -1.052 -0.256 -0.358) 1.140 16.857 ( 0.362 5.865 2.299) 6.310 16.934 ( 0.668 4.033 -1.342) 4.303 17.021 ( -0.351 -0.504 1.997) 2.090 17.162 ( 0.526 -8.287 -2.072) 8.558 22.922 ( 2.834 0.438 -1.494) 3.234 22.943 ( 3.147 -1.401 -0.361) 3.464 23.297 ( -5.122 3.775 3.056) 7.059 23.386 ( -5.629 -4.251 4.384) 8.305 23.571 ( 0.169 4.465 -1.500) 4.713 23.642 ( 5.618 -1.856 -2.203) 6.314 23.728 ( 3.141 -0.640 2.757) 4.228 23.757 ( 1.948 -2.425 0.509) 3.152 24.049 ( 6.049 2.124 1.351) 6.552 24.080 ( 6.640 0.078 2.176) 6.988 24.218 ( 3.666 6.081 0.623) 7.128 24.328 ( 4.572 -3.612 -0.113) 5.828 24.732 ( 8.208 8.104 1.129) 11.590 24.777 ( 1.374 2.885 3.466) 4.714 24.877 ( -4.559 -1.733 -0.864) 4.953 24.998 ( 1.450 -11.621 -0.948) 11.749 25.409 ( -9.462 0.409 -6.999) 11.776 25.481 ( -10.564 -6.535 -8.084) 14.820 25.741 ( 2.005 2.175 6.873) 7.483 25.794 ( 2.170 -2.959 3.126) 4.821 26.149 ( -4.591 9.050 -2.527) 10.458 26.342 ( -4.938 -9.085 -7.690) 12.887 27.307 ( 2.788 4.840 1.432) 5.766 27.356 ( 3.207 0.414 1.887) 3.744 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -6.120 16.735 12.901) 21.999 1.437 ( -19.406 12.607 14.785) 27.461 1.563 ( -19.458 -1.635 16.151) 25.341 1.724 ( -4.451 -10.280 5.023) 12.277 1.851 ( -4.820 2.684 -3.514) 6.541 1.950 ( 2.187 -5.691 -3.584) 7.072 2.091 ( -7.156 8.117 3.408) 11.345 2.187 ( 4.150 3.993 -5.816) 8.185 2.305 ( 5.819 -0.290 -5.069) 7.723 2.380 ( 4.713 -5.339 -1.115) 7.209 2.456 ( -10.083 6.738 -3.448) 12.608 2.573 ( 5.525 0.490 -4.339) 7.043 2.639 ( -1.818 -6.978 1.757) 7.422 2.670 ( -1.543 -7.159 0.998) 7.391 2.825 ( 1.440 4.426 -0.356) 4.668 2.959 ( 0.297 -4.739 -2.292) 5.273 2.995 ( -0.088 4.460 -2.032) 4.902 3.079 ( 0.147 0.491 0.518) 0.728 3.170 ( -6.283 -0.510 1.064) 6.393 3.253 ( -1.195 -1.351 -3.608) 4.033 3.319 ( -3.956 2.392 8.082) 9.311 3.384 ( 0.148 -2.495 6.326) 6.802 3.423 ( -2.075 2.752 0.846) 3.549 3.456 ( -1.664 0.695 4.031) 4.415 3.581 ( -5.586 -1.104 -9.048) 10.691 3.645 ( -0.557 1.945 -1.360) 2.437 3.664 ( -3.347 -5.285 -5.965) 8.644 3.700 ( 0.458 1.191 -2.779) 3.058 3.758 ( 1.268 0.260 2.990) 3.258 3.806 ( -0.460 0.505 -4.021) 4.079 3.826 ( 1.373 0.309 -6.245) 6.401 3.899 ( 2.120 -3.918 1.663) 4.755 4.077 ( 2.000 9.613 -2.691) 10.181 4.107 ( 1.369 0.417 3.945) 4.196 4.125 ( -0.923 0.911 6.200) 6.334 4.228 ( -2.181 -5.962 -0.753) 6.393 4.291 ( 4.751 1.712 1.989) 5.428 4.333 ( 2.452 3.761 5.134) 6.820 4.409 ( -0.232 -1.912 1.109) 2.222 4.483 ( -1.794 -2.831 8.563) 9.196 4.487 ( -2.850 2.020 -3.674) 5.070 4.574 ( 2.328 -3.956 -0.150) 4.593 4.665 ( -4.515 -1.130 2.445) 5.257 4.716 ( -4.312 -0.781 1.695) 4.698 4.823 ( -4.382 8.891 -2.143) 10.142 4.898 ( -0.743 3.754 -3.194) 4.984 4.923 ( 0.008 3.063 4.555) 5.489 5.012 ( 2.081 -4.304 -3.075) 5.684 5.026 ( 3.145 1.010 2.127) 3.928 5.093 ( 0.052 -4.791 -5.970) 7.655 5.165 ( 1.462 -1.138 -1.591) 2.442 5.200 ( 4.159 3.061 -4.332) 6.740 5.247 ( 3.547 -3.914 -4.485) 6.929 5.298 ( -2.421 -1.774 -2.337) 3.804 5.366 ( 2.028 -2.210 -5.007) 5.837 5.369 ( 4.011 -4.109 -9.003) 10.678 5.527 ( -1.573 5.027 -2.297) 5.746 5.559 ( -0.397 1.812 0.142) 1.860 5.623 ( -3.992 -4.372 0.743) 5.967 5.665 ( 0.461 -6.217 -2.016) 6.551 5.842 ( 4.146 3.237 -0.136) 5.262 5.879 ( -1.211 1.786 -0.901) 2.339 5.913 ( -0.471 2.177 -1.257) 2.557 5.976 ( -2.408 -2.937 3.111) 4.910 6.021 ( 2.440 1.400 2.676) 3.882 6.117 ( 6.800 -4.845 5.100) 9.783 6.261 ( 3.924 5.319 -0.743) 6.652 6.268 ( 0.263 1.974 -0.309) 2.016 6.361 ( 2.342 0.604 2.998) 3.852 6.436 ( 2.129 -3.224 1.010) 3.994 6.514 ( 1.146 0.620 -0.362) 1.352 6.527 ( -0.730 4.286 -3.043) 5.306 6.544 ( 4.093 -0.004 -1.127) 4.246 6.599 ( 1.721 -1.938 -4.595) 5.276 6.664 ( -2.744 5.448 0.094) 6.101 6.761 ( 1.462 -3.006 1.507) 3.667 6.858 ( 0.558 1.194 -1.694) 2.147 6.922 ( -1.328 -4.534 -1.307) 4.902 6.992 ( -0.152 3.295 1.299) 3.545 7.026 ( 2.158 0.310 2.712) 3.480 7.226 ( -0.374 2.774 -0.629) 2.869 7.302 ( -1.573 -3.788 -0.145) 4.105 7.417 ( -1.285 2.035 6.445) 6.879 7.439 ( 1.607 4.371 0.567) 4.691 7.537 ( 2.936 -3.112 7.512) 8.645 7.591 ( -0.550 -3.813 -0.014) 3.852 7.813 ( -4.059 1.019 3.200) 5.268 7.897 ( -3.157 -6.414 6.301) 9.530 8.112 ( 1.450 1.861 -3.615) 4.317 8.154 ( 0.453 -2.174 -5.273) 5.721 8.337 ( -0.233 1.892 0.043) 1.907 8.370 ( -0.496 -0.520 0.513) 0.882 8.489 ( -0.857 1.607 3.330) 3.795 8.526 ( 0.310 -1.522 3.743) 4.052 8.638 ( 3.736 5.814 -6.007) 9.157 8.718 ( 3.041 -1.476 -4.704) 5.793 8.846 ( -0.222 1.255 -0.439) 1.348 8.899 ( -1.227 -3.347 -0.435) 3.591 9.053 ( 1.291 4.777 0.070) 4.949 9.169 ( 1.037 -5.733 -1.178) 5.944 10.095 ( -1.349 5.181 3.949) 6.653 10.177 ( -2.027 -2.298 1.668) 3.489 10.245 ( -0.680 5.201 -0.811) 5.308 10.390 ( -0.832 -5.169 -2.536) 5.818 10.451 ( -0.095 1.381 1.218) 1.844 10.507 ( -1.736 -4.111 3.090) 5.428 10.744 ( -0.692 1.072 -3.464) 3.691 10.827 ( -0.708 -3.778 -1.323) 4.065 10.960 ( -2.240 1.255 4.912) 5.542 11.019 ( 0.282 -1.936 -0.514) 2.023 11.078 ( 2.660 -0.471 -3.424) 4.361 11.111 ( -0.879 -3.805 -2.154) 4.460 11.374 ( 1.993 1.297 2.280) 3.294 11.391 ( 1.039 -0.438 0.377) 1.189 11.449 ( 1.120 1.991 -0.859) 2.440 11.480 ( 4.133 -0.768 -1.072) 4.339 11.567 ( 0.024 2.286 1.280) 2.620 11.612 ( 1.112 -1.413 0.326) 1.827 11.696 ( -0.434 2.839 0.251) 2.883 11.734 ( 0.026 -0.329 -0.638) 0.718 11.815 ( -0.367 1.253 2.787) 3.077 11.831 ( -0.195 -0.400 4.159) 4.182 11.962 ( 2.777 0.881 -2.258) 3.686 11.986 ( 1.647 -1.022 -1.782) 2.633 12.807 ( -3.101 2.509 5.853) 7.083 12.890 ( -4.629 -5.606 9.942) 12.317 13.155 ( 4.614 1.343 -4.704) 6.725 13.171 ( 2.487 -0.123 -5.439) 5.982 14.070 ( -2.043 4.053 -0.304) 4.549 14.100 ( -1.952 3.944 1.665) 4.705 14.164 ( -2.551 -4.006 -1.073) 4.869 14.187 ( -2.752 -3.746 0.630) 4.691 14.876 ( -1.305 1.427 0.897) 2.131 14.902 ( -0.741 -0.729 0.765) 1.290 15.020 ( 0.306 4.922 -1.461) 5.143 15.125 ( -1.502 -5.218 -2.995) 6.201 16.544 ( -0.343 0.292 0.262) 0.521 16.551 ( -0.427 -0.358 0.343) 0.654 16.636 ( -0.877 0.546 0.123) 1.040 16.647 ( -0.703 -0.448 -0.203) 0.858 16.861 ( -0.280 6.024 2.418) 6.497 16.950 ( 0.967 3.426 -0.562) 3.604 17.013 ( -0.683 0.607 1.757) 1.980 17.171 ( 0.697 -8.411 -2.000) 8.674 22.988 ( 4.154 1.831 -1.074) 4.665 23.017 ( 3.755 0.152 0.192) 3.763 23.181 ( -6.387 1.703 5.174) 8.394 23.266 ( -6.635 -5.085 4.847) 9.663 23.573 ( -0.096 5.221 -1.317) 5.385 23.691 ( 0.038 -5.450 -0.509) 5.473 23.839 ( 6.322 1.120 -1.730) 6.650 23.875 ( 9.970 -2.386 -2.251) 10.496 24.117 ( 1.504 3.708 -0.906) 4.103 24.179 ( 2.868 -1.945 -0.805) 3.557 24.364 ( 10.160 5.836 2.989) 12.092 24.441 ( 5.757 -1.326 1.468) 6.087 24.674 ( -9.294 5.149 -2.219) 10.854 24.765 ( -5.810 -2.710 -2.467) 6.869 24.916 ( 6.743 2.524 0.184) 7.203 25.045 ( 1.612 -9.787 2.630) 10.261 25.215 ( -8.045 -0.276 -4.924) 9.436 25.247 ( -10.532 -3.216 -8.397) 13.849 25.797 ( 2.215 3.292 8.401) 9.291 25.849 ( 2.348 -1.403 5.980) 6.576 26.063 ( -2.888 6.895 -1.519) 7.628 26.229 ( -4.588 -8.558 -6.764) 11.834 27.365 ( 2.401 5.293 1.393) 5.977 27.439 ( 5.174 -1.291 -0.805) 5.392 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 9.228 0.000 21.527) 23.422 1.254 ( -11.425 0.000 23.194) 25.855 1.384 ( -3.586 0.000 -10.475) 11.072 1.777 ( 4.739 0.000 -18.982) 19.565 1.839 ( -10.250 0.000 3.636) 10.876 1.842 ( 5.278 0.000 16.217) 17.054 2.033 ( 4.625 0.000 7.272) 8.618 2.225 ( -5.920 0.000 -12.394) 13.735 2.310 ( -3.199 0.000 16.217) 16.529 2.441 ( 6.847 0.000 10.165) 12.256 2.490 ( 3.993 0.000 2.841) 4.900 2.506 ( -4.118 0.000 -3.361) 5.315 2.622 ( 6.525 0.000 -10.113) 12.035 2.881 ( -1.475 0.000 -13.955) 14.033 2.888 ( -4.663 0.000 7.259) 8.628 3.005 ( -1.886 0.000 7.003) 7.253 3.051 ( -7.052 0.000 2.251) 7.403 3.093 ( 0.757 0.000 -2.839) 2.938 3.123 ( 2.256 0.000 -14.366) 14.542 3.160 ( 0.776 0.000 2.661) 2.772 3.272 ( -3.535 0.000 13.433) 13.890 3.298 ( 2.852 0.000 1.151) 3.075 3.400 ( 3.762 0.000 -7.978) 8.820 3.458 ( -4.435 0.000 -0.559) 4.471 3.523 ( -0.498 0.000 -4.904) 4.929 3.541 ( -4.996 0.000 -2.250) 5.479 3.604 ( -0.064 0.000 3.218) 3.219 3.615 ( 2.614 0.000 1.840) 3.197 3.695 ( 0.469 0.000 -3.246) 3.280 3.751 ( 11.553 0.000 -2.174) 11.755 3.887 ( -3.063 0.000 0.710) 3.145 3.914 ( -6.494 0.000 0.931) 6.560 3.997 ( 2.321 0.000 -1.538) 2.784 3.999 ( -3.597 0.000 -6.571) 7.491 4.106 ( -4.494 0.000 5.813) 7.348 4.140 ( 1.033 0.000 6.275) 6.359 4.232 ( 0.702 0.000 -3.235) 3.310 4.263 ( 1.577 0.000 2.617) 3.056 4.308 ( 5.260 0.000 -7.765) 9.379 4.495 ( -0.161 0.000 -7.357) 7.358 4.588 ( -0.443 0.000 3.799) 3.825 4.593 ( -1.229 0.000 -4.421) 4.589 4.654 ( 1.167 0.000 0.080) 1.170 4.661 ( 6.332 0.000 -6.098) 8.791 4.697 ( -0.895 0.000 5.492) 5.564 4.823 ( 2.055 0.000 -5.197) 5.589 4.922 ( 3.051 0.000 3.445) 4.602 5.003 ( -0.902 0.000 -3.780) 3.886 5.109 ( -3.217 0.000 7.163) 7.852 5.149 ( 2.788 0.000 3.422) 4.414 5.153 ( 0.879 0.000 0.345) 0.944 5.225 ( -0.443 0.000 -3.920) 3.945 5.290 ( 2.067 0.000 -0.349) 2.096 5.306 ( -1.302 0.000 -1.398) 1.910 5.434 ( 9.684 0.000 0.417) 9.693 5.441 ( -7.616 0.000 -1.944) 7.860 5.582 ( -6.734 0.000 0.571) 6.758 5.637 ( 4.136 0.000 -4.833) 6.361 5.708 ( 5.001 0.000 5.405) 7.364 5.718 ( 0.481 0.000 3.594) 3.626 5.834 ( 3.118 0.000 2.824) 4.207 5.891 ( 0.274 0.000 -0.495) 0.565 5.913 ( -4.092 0.000 -2.075) 4.588 5.935 ( 1.862 0.000 -4.021) 4.431 6.151 ( -5.508 0.000 3.023) 6.283 6.221 ( -2.328 0.000 -0.994) 2.531 6.233 ( 0.279 0.000 -0.893) 0.935 6.263 ( -0.095 0.000 -3.854) 3.855 6.401 ( 1.306 0.000 2.811) 3.100 6.418 ( -1.579 0.000 2.155) 2.672 6.464 ( -0.910 0.000 6.365) 6.430 6.496 ( 3.097 0.000 1.858) 3.611 6.515 ( 2.908 0.000 -1.156) 3.129 6.527 ( -10.195 0.000 1.109) 10.255 6.644 ( -0.454 0.000 -5.808) 5.826 6.674 ( 7.187 0.000 -4.004) 8.227 6.884 ( -6.455 0.000 2.142) 6.801 6.890 ( 2.478 0.000 1.471) 2.882 7.004 ( -6.216 0.000 3.148) 6.968 7.034 ( 5.856 0.000 0.741) 5.902 7.269 ( 6.216 0.000 0.939) 6.286 7.326 ( -3.854 0.000 -4.385) 5.838 7.355 ( 2.644 0.000 4.397) 5.131 7.492 ( -0.699 0.000 -7.957) 7.987 7.616 ( 2.576 0.000 10.292) 10.610 7.772 ( -4.893 0.000 -4.186) 6.440 7.869 ( -5.919 0.000 0.552) 5.945 7.919 ( 10.162 0.000 -4.339) 11.050 8.135 ( -5.246 0.000 8.843) 10.283 8.260 ( -0.099 0.000 2.132) 2.135 8.302 ( 5.254 0.000 -7.148) 8.872 8.320 ( -1.407 0.000 -0.704) 1.574 8.427 ( 2.289 0.000 1.807) 2.916 8.507 ( 0.432 0.000 -2.894) 2.926 8.617 ( -1.921 0.000 1.615) 2.509 8.638 ( 2.636 0.000 -1.311) 2.944 8.867 ( 0.738 0.000 0.168) 0.757 8.885 ( -0.765 0.000 -1.736) 1.897 9.204 ( 2.140 0.000 3.592) 4.181 9.265 ( -1.486 0.000 -2.451) 2.866 9.928 ( -0.253 0.000 1.807) 1.824 9.996 ( 0.186 0.000 -5.175) 5.179 10.217 ( -0.806 0.000 4.607) 4.677 10.327 ( 2.042 0.000 -5.646) 6.004 10.693 ( -5.064 0.000 7.477) 9.031 10.707 ( -2.026 0.000 5.797) 6.141 10.795 ( -7.172 0.000 0.881) 7.226 10.843 ( 2.903 0.000 -4.513) 5.366 11.046 ( 1.230 0.000 -1.281) 1.776 11.061 ( 3.575 0.000 -3.279) 4.852 11.210 ( -2.579 0.000 -0.482) 2.623 11.214 ( 2.500 0.000 -0.508) 2.552 11.306 ( -3.413 0.000 1.660) 3.795 11.318 ( 1.326 0.000 0.528) 1.427 11.440 ( 0.814 0.000 1.912) 2.078 11.511 ( 1.807 0.000 -3.804) 4.211 11.542 ( -1.186 0.000 4.310) 4.470 11.595 ( 0.231 0.000 0.382) 0.447 11.667 ( 0.793 0.000 -0.677) 1.042 11.692 ( 1.382 0.000 -1.786) 2.258 11.809 ( 1.489 0.000 1.642) 2.217 11.822 ( -2.485 0.000 0.164) 2.490 11.953 ( -0.913 0.000 -1.070) 1.406 11.967 ( 1.636 0.000 -2.093) 2.657 12.803 ( -0.457 0.000 4.489) 4.512 12.922 ( -1.244 0.000 -6.821) 6.934 13.202 ( -19.130 0.000 4.044) 19.553 13.263 ( 12.471 0.000 -1.712) 12.588 14.056 ( -5.053 0.000 5.064) 7.154 14.159 ( 8.182 0.000 -4.634) 9.403 14.231 ( -0.706 0.000 0.499) 0.864 14.247 ( 3.193 0.000 -1.207) 3.414 14.817 ( -1.172 0.000 2.101) 2.406 14.860 ( 1.278 0.000 -2.084) 2.445 14.880 ( 2.193 0.000 2.934) 3.663 14.945 ( -4.977 0.000 -3.289) 5.966 16.544 ( 0.523 0.000 0.091) 0.531 16.547 ( -0.510 0.000 -0.280) 0.582 16.617 ( -0.489 0.000 0.605) 0.778 16.630 ( 0.343 0.000 -0.621) 0.709 16.714 ( -1.731 0.000 1.500) 2.290 16.736 ( 0.938 0.000 -0.727) 1.187 17.211 ( -0.495 0.000 4.921) 4.945 17.307 ( 0.829 0.000 -4.352) 4.430 22.912 ( -2.654 0.000 1.707) 3.155 22.952 ( 3.528 0.000 -2.161) 4.137 23.379 ( -5.578 0.000 2.633) 6.168 23.429 ( 4.983 0.000 -2.107) 5.411 23.538 ( 1.333 0.000 7.554) 7.671 23.688 ( -10.508 0.000 -6.185) 12.193 23.842 ( -6.205 0.000 5.070) 8.013 23.931 ( 7.861 0.000 -3.861) 8.758 23.996 ( -10.008 0.000 4.456) 10.956 24.126 ( 5.552 0.000 -6.328) 8.419 24.287 ( 2.870 0.000 0.367) 2.894 24.318 ( -6.692 0.000 -2.108) 7.016 24.489 ( 9.011 0.000 6.395) 11.050 24.624 ( -4.221 0.000 -6.585) 7.821 24.902 ( 5.623 0.000 4.067) 6.939 25.009 ( -6.698 0.000 -6.588) 9.395 25.384 ( 5.044 0.000 1.658) 5.310 25.387 ( -7.169 0.000 2.591) 7.622 25.887 ( 3.766 0.000 6.018) 7.100 25.903 ( -2.246 0.000 5.043) 5.521 26.050 ( 4.859 0.000 -0.811) 4.926 26.196 ( 1.470 0.000 -13.415) 13.495 27.393 ( -9.466 0.000 10.945) 14.470 27.591 ( 14.501 0.000 -8.485) 16.801 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 5.492 0.000 16.035) 16.949 1.242 ( 13.904 0.000 16.999) 21.961 1.325 ( 0.417 0.000 -11.506) 11.514 1.539 ( -14.720 0.000 3.384) 15.104 1.864 ( 2.249 0.000 -15.030) 15.198 1.977 ( 2.905 0.000 7.560) 8.098 2.118 ( 2.283 0.000 15.052) 15.224 2.221 ( 5.428 0.000 -13.064) 14.147 2.303 ( 0.694 0.000 15.084) 15.100 2.382 ( -7.101 0.000 0.849) 7.152 2.528 ( 1.970 0.000 5.243) 5.601 2.694 ( 2.263 0.000 -17.117) 17.266 2.699 ( 9.191 0.000 14.060) 16.798 2.791 ( 2.878 0.000 1.551) 3.270 2.906 ( -7.850 0.000 6.063) 9.919 2.984 ( 4.880 0.000 -2.778) 5.615 3.002 ( 6.898 0.000 -8.638) 11.054 3.064 ( -2.889 0.000 -6.207) 6.847 3.102 ( 0.730 0.000 0.481) 0.874 3.186 ( -2.149 0.000 1.301) 2.512 3.249 ( 1.173 0.000 20.940) 20.973 3.320 ( -1.779 0.000 -7.450) 7.659 3.421 ( -4.178 0.000 -4.474) 6.122 3.435 ( -2.868 0.000 -9.464) 9.889 3.460 ( 3.300 0.000 -0.231) 3.308 3.581 ( 7.061 0.000 2.141) 7.378 3.638 ( -0.188 0.000 2.291) 2.299 3.666 ( -1.798 0.000 -4.031) 4.414 3.667 ( 2.652 0.000 -0.127) 2.655 3.829 ( -5.279 0.000 -1.122) 5.397 3.854 ( -0.799 0.000 5.920) 5.973 3.931 ( 5.134 0.000 -2.912) 5.902 3.975 ( 5.014 0.000 2.099) 5.436 4.037 ( -0.357 0.000 4.385) 4.399 4.045 ( 1.579 0.000 7.773) 7.932 4.130 ( -3.106 0.000 0.133) 3.109 4.284 ( 4.894 0.000 -4.263) 6.490 4.297 ( 5.646 0.000 5.971) 8.218 4.424 ( -5.317 0.000 -10.079) 11.396 4.435 ( 6.407 0.000 -11.163) 12.871 4.546 ( -1.033 0.000 -5.907) 5.996 4.620 ( 2.911 0.000 -0.190) 2.917 4.659 ( 0.672 0.000 -3.156) 3.227 4.688 ( 2.932 0.000 -3.212) 4.349 4.776 ( 2.558 0.000 -2.601) 3.648 4.917 ( 6.257 0.000 -2.834) 6.869 4.985 ( -1.634 0.000 -0.324) 1.666 5.005 ( 3.420 0.000 0.576) 3.468 5.074 ( -0.984 0.000 4.902) 5.000 5.157 ( -4.375 0.000 -5.124) 6.738 5.178 ( 3.643 0.000 -1.756) 4.044 5.199 ( 2.201 0.000 2.209) 3.119 5.302 ( -1.297 0.000 1.092) 1.695 5.340 ( 2.879 0.000 -0.581) 2.937 5.363 ( 1.694 0.000 -7.806) 7.988 5.486 ( -3.783 0.000 0.950) 3.900 5.588 ( 4.532 0.000 3.289) 5.600 5.681 ( -4.617 0.000 1.335) 4.807 5.731 ( 3.491 0.000 0.362) 3.510 5.743 ( 7.265 0.000 2.243) 7.604 5.854 ( -0.494 0.000 -7.151) 7.168 5.886 ( -2.263 0.000 -4.084) 4.669 5.940 ( -0.289 0.000 4.047) 4.058 6.011 ( 4.504 0.000 0.749) 4.566 6.061 ( -3.492 0.000 0.976) 3.626 6.063 ( -10.499 0.000 4.185) 11.302 6.218 ( -2.283 0.000 0.868) 2.443 6.277 ( -3.767 0.000 1.272) 3.976 6.316 ( -3.947 0.000 4.708) 6.143 6.336 ( -3.349 0.000 -3.043) 4.525 6.367 ( -5.484 0.000 7.157) 9.016 6.474 ( 1.689 0.000 -0.328) 1.720 6.496 ( -2.533 0.000 4.953) 5.563 6.579 ( 1.437 0.000 -3.659) 3.931 6.625 ( -2.311 0.000 -6.817) 7.198 6.762 ( -3.752 0.000 3.262) 4.972 6.813 ( 1.192 0.000 0.805) 1.438 6.913 ( -0.145 0.000 -1.478) 1.485 6.954 ( 2.780 0.000 3.495) 4.466 7.089 ( -0.483 0.000 1.362) 1.445 7.234 ( -4.892 0.000 -7.047) 8.579 7.357 ( 3.438 0.000 1.384) 3.706 7.414 ( 2.108 0.000 3.907) 4.440 7.470 ( -0.077 0.000 -10.609) 10.609 7.571 ( -9.117 0.000 6.633) 11.274 7.703 ( -1.628 0.000 -4.790) 5.059 7.882 ( 7.721 0.000 3.635) 8.534 8.048 ( 2.339 0.000 -6.825) 7.214 8.065 ( -3.013 0.000 7.026) 7.644 8.245 ( -1.192 0.000 1.826) 2.180 8.279 ( -2.303 0.000 -0.411) 2.339 8.396 ( 5.289 0.000 -5.771) 7.828 8.478 ( 2.188 0.000 0.750) 2.313 8.528 ( 1.619 0.000 -1.968) 2.548 8.566 ( -3.213 0.000 0.981) 3.360 8.676 ( 0.947 0.000 -2.527) 2.699 8.870 ( -1.064 0.000 -1.753) 2.051 8.881 ( 0.535 0.000 0.915) 1.059 9.226 ( -0.326 0.000 3.636) 3.650 9.236 ( -0.794 0.000 -3.339) 3.432 9.926 ( -0.282 0.000 2.531) 2.546 9.985 ( -0.694 0.000 -5.020) 5.068 10.226 ( 1.268 0.000 2.939) 3.201 10.369 ( 2.806 0.000 -5.720) 6.371 10.570 ( -7.439 0.000 8.798) 11.522 10.579 ( -12.331 0.000 7.745) 14.561 10.681 ( -1.287 0.000 6.673) 6.796 10.893 ( 2.813 0.000 -4.823) 5.584 11.061 ( -0.292 0.000 0.951) 0.995 11.115 ( 0.435 0.000 -4.014) 4.037 11.158 ( -1.200 0.000 0.558) 1.323 11.242 ( -2.888 0.000 2.539) 3.845 11.253 ( 1.987 0.000 -1.091) 2.267 11.341 ( 0.422 0.000 0.733) 0.845 11.448 ( -0.374 0.000 -1.069) 1.133 11.528 ( -0.569 0.000 3.940) 3.981 11.536 ( 1.165 0.000 -2.928) 3.151 11.602 ( 0.754 0.000 0.491) 0.900 11.693 ( 2.004 0.000 -2.987) 3.597 11.711 ( 0.533 0.000 -1.266) 1.374 11.770 ( -2.634 0.000 0.553) 2.691 11.810 ( -1.993 0.000 3.111) 3.695 11.933 ( -0.445 0.000 -2.918) 2.951 11.976 ( -0.330 0.000 -1.362) 1.402 12.805 ( -0.222 0.000 5.996) 6.000 12.888 ( -1.353 0.000 -4.686) 4.877 12.927 ( -8.258 0.000 7.531) 11.176 13.438 ( 3.258 0.000 1.790) 3.718 13.966 ( -3.144 0.000 1.409) 3.445 14.222 ( 1.902 0.000 -3.132) 3.664 14.253 ( 2.635 0.000 0.548) 2.691 14.337 ( 3.573 0.000 -5.053) 6.189 14.800 ( -0.597 0.000 2.118) 2.201 14.860 ( -0.502 0.000 -1.970) 2.033 14.960 ( 5.574 0.000 -3.809) 6.751 14.962 ( 5.005 0.000 4.925) 7.022 16.542 ( 0.152 0.000 -0.075) 0.170 16.557 ( 0.813 0.000 -0.125) 0.822 16.614 ( 0.079 0.000 0.606) 0.612 16.642 ( 0.949 0.000 -0.442) 1.047 16.687 ( -1.217 0.000 1.609) 2.017 16.750 ( 0.538 0.000 0.002) 0.538 17.205 ( -0.597 0.000 4.397) 4.438 17.313 ( 0.254 0.000 -4.476) 4.483 22.870 ( -1.773 0.000 0.963) 2.018 23.005 ( 1.062 0.000 -2.026) 2.287 23.296 ( -3.338 0.000 1.335) 3.596 23.380 ( -11.501 0.000 8.901) 14.543 23.535 ( 5.733 0.000 0.834) 5.793 23.560 ( 0.963 0.000 6.847) 6.915 23.809 ( -8.395 0.000 6.254) 10.469 23.905 ( 3.160 0.000 -5.985) 6.768 24.035 ( 0.815 0.000 -1.854) 2.025 24.131 ( -7.366 0.000 0.933) 7.425 24.154 ( -7.965 0.000 0.992) 8.026 24.322 ( 7.489 0.000 1.965) 7.743 24.612 ( 0.128 0.000 -7.101) 7.102 24.656 ( 4.798 0.000 3.406) 5.884 24.919 ( -1.063 0.000 -8.260) 8.329 25.004 ( 3.073 0.000 6.968) 7.615 25.289 ( -0.916 0.000 2.645) 2.799 25.481 ( 5.303 0.000 2.680) 5.942 25.885 ( -0.411 0.000 2.406) 2.441 25.966 ( 2.645 0.000 4.330) 5.074 26.141 ( 4.363 0.000 -6.473) 7.807 26.227 ( 3.602 0.000 -15.218) 15.638 27.192 ( -11.085 0.000 7.490) 13.378 27.732 ( 1.397 0.000 -10.135) 10.231 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -4.674 0.000 2.925) 5.514 1.368 ( 6.823 0.000 -16.694) 18.035 1.463 ( 14.696 0.000 10.804) 18.240 1.512 ( 11.814 0.000 8.311) 14.444 1.889 ( 3.158 0.000 -12.735) 13.121 1.966 ( -3.801 0.000 9.923) 10.626 2.128 ( 0.554 0.000 6.796) 6.819 2.241 ( -4.044 0.000 -6.090) 7.310 2.355 ( 5.190 0.000 -2.105) 5.601 2.397 ( 5.908 0.000 9.980) 11.597 2.496 ( -2.582 0.000 6.142) 6.663 2.710 ( -1.874 0.000 -10.866) 11.026 2.750 ( -5.594 0.000 -0.583) 5.624 2.866 ( 5.086 0.000 5.634) 7.590 2.905 ( -2.939 0.000 1.408) 3.259 2.907 ( -0.209 0.000 -8.579) 8.581 2.981 ( -2.412 0.000 1.238) 2.711 3.068 ( -7.068 0.000 1.731) 7.277 3.157 ( 0.481 0.000 6.146) 6.165 3.295 ( -4.457 0.000 4.865) 6.599 3.313 ( 10.030 0.000 -13.969) 17.197 3.355 ( -3.418 0.000 -0.896) 3.533 3.366 ( 9.865 0.000 14.499) 17.537 3.399 ( 11.013 0.000 -2.586) 11.312 3.463 ( -0.401 0.000 -2.571) 2.602 3.607 ( -2.984 0.000 6.425) 7.084 3.636 ( -1.514 0.000 -1.042) 1.838 3.646 ( -7.875 0.000 1.707) 8.058 3.667 ( 0.309 0.000 -1.214) 1.252 3.817 ( 7.328 0.000 2.523) 7.751 3.884 ( -0.812 0.000 1.782) 1.958 3.903 ( 1.611 0.000 8.064) 8.224 4.092 ( 0.539 0.000 -0.402) 0.673 4.104 ( 1.950 0.000 -3.147) 3.702 4.121 ( 8.417 0.000 3.645) 9.173 4.169 ( 7.499 0.000 1.520) 7.652 4.330 ( -1.642 0.000 -2.643) 3.111 4.406 ( 8.189 0.000 -6.329) 10.350 4.418 ( 5.898 0.000 -2.268) 6.319 4.523 ( 1.218 0.000 -1.753) 2.135 4.533 ( 0.714 0.000 -10.606) 10.630 4.557 ( -0.817 0.000 0.510) 0.963 4.768 ( 5.142 0.000 -4.956) 7.141 4.791 ( 1.362 0.000 -3.887) 4.118 4.838 ( 10.897 0.000 -9.173) 14.244 4.958 ( -3.781 0.000 0.081) 3.782 5.029 ( 2.953 0.000 1.978) 3.554 5.033 ( 7.308 0.000 4.611) 8.641 5.070 ( -1.967 0.000 -2.682) 3.326 5.100 ( 1.094 0.000 2.329) 2.573 5.193 ( -2.773 0.000 1.088) 2.979 5.245 ( 1.701 0.000 2.655) 3.153 5.324 ( 2.435 0.000 -3.295) 4.097 5.385 ( 1.517 0.000 -0.756) 1.695 5.397 ( -0.861 0.000 -2.519) 2.662 5.480 ( 5.363 0.000 -7.356) 9.103 5.591 ( -4.334 0.000 8.952) 9.946 5.627 ( -0.063 0.000 -5.404) 5.404 5.685 ( -10.723 0.000 -2.782) 11.078 5.812 ( -3.454 0.000 7.750) 8.485 5.839 ( -5.381 0.000 2.046) 5.757 5.883 ( -1.596 0.000 1.625) 2.278 5.903 ( 2.895 0.000 -8.175) 8.673 5.943 ( 6.632 0.000 -0.474) 6.649 5.979 ( -2.618 0.000 6.456) 6.967 6.119 ( 3.045 0.000 6.937) 7.576 6.152 ( -6.843 0.000 2.827) 7.404 6.188 ( -0.221 0.000 -7.406) 7.409 6.273 ( -2.917 0.000 5.508) 6.233 6.288 ( -1.998 0.000 5.270) 5.636 6.363 ( 2.566 0.000 0.423) 2.600 6.412 ( -4.374 0.000 5.662) 7.155 6.480 ( -0.947 0.000 -3.515) 3.640 6.544 ( -4.622 0.000 -7.003) 8.390 6.571 ( -0.909 0.000 -2.683) 2.833 6.719 ( -0.710 0.000 1.616) 1.765 6.819 ( -0.005 0.000 1.499) 1.499 6.935 ( 0.004 0.000 -4.597) 4.597 6.941 ( -4.921 0.000 -0.801) 4.986 7.058 ( -2.520 0.000 8.453) 8.821 7.125 ( -5.276 0.000 -7.377) 9.070 7.342 ( -9.698 0.000 -5.333) 11.067 7.408 ( 1.430 0.000 0.660) 1.575 7.463 ( 0.422 0.000 -9.883) 9.892 7.479 ( 0.288 0.000 10.368) 10.372 7.691 ( 0.820 0.000 -5.344) 5.407 8.002 ( 0.009 0.000 6.823) 6.823 8.002 ( -4.853 0.000 -2.440) 5.432 8.071 ( 4.198 0.000 1.661) 4.514 8.228 ( -0.823 0.000 -0.376) 0.905 8.255 ( 0.954 0.000 -0.791) 1.239 8.485 ( 3.986 0.000 -4.488) 6.003 8.501 ( -1.983 0.000 4.487) 4.906 8.509 ( -4.729 0.000 2.372) 5.290 8.519 ( 0.928 0.000 -0.383) 1.004 8.684 ( 1.557 0.000 -3.498) 3.829 8.840 ( -1.071 0.000 -0.897) 1.397 8.882 ( -0.814 0.000 1.834) 2.007 9.217 ( -0.901 0.000 3.337) 3.457 9.232 ( 0.599 0.000 -3.510) 3.561 9.922 ( -0.597 0.000 3.353) 3.406 9.970 ( 0.287 0.000 -6.107) 6.114 10.269 ( 2.667 0.000 1.577) 3.099 10.406 ( -0.153 0.000 0.808) 0.822 10.434 ( -1.905 0.000 0.041) 1.906 10.461 ( -4.505 0.000 5.614) 7.198 10.687 ( 1.160 0.000 6.143) 6.251 10.938 ( 2.492 0.000 -4.879) 5.478 11.029 ( -3.033 0.000 1.636) 3.446 11.079 ( -2.357 0.000 -1.659) 2.882 11.160 ( 0.449 0.000 0.344) 0.566 11.203 ( -1.799 0.000 2.184) 2.830 11.278 ( -1.378 0.000 1.324) 1.911 11.318 ( -0.516 0.000 -3.499) 3.537 11.457 ( 1.490 0.000 -0.706) 1.649 11.530 ( 0.553 0.000 2.085) 2.157 11.542 ( -0.252 0.000 -1.061) 1.091 11.627 ( 1.483 0.000 0.019) 1.483 11.704 ( -1.196 0.000 0.037) 1.197 11.715 ( -0.438 0.000 -0.549) 0.702 11.730 ( -1.669 0.000 1.276) 2.102 11.757 ( -2.787 0.000 1.367) 3.104 11.943 ( 1.954 0.000 -4.350) 4.768 11.963 ( -0.723 0.000 0.252) 0.765 12.801 ( -0.590 0.000 5.781) 5.811 12.866 ( -0.290 0.000 -2.848) 2.862 12.876 ( 0.281 0.000 4.422) 4.431 13.370 ( -8.537 0.000 -0.535) 8.554 13.966 ( 2.025 0.000 1.754) 2.679 14.235 ( -0.320 0.000 -4.507) 4.518 14.319 ( 3.671 0.000 1.212) 3.866 14.389 ( 2.962 0.000 -1.987) 3.567 14.799 ( 0.117 0.000 2.165) 2.168 14.857 ( 0.270 0.000 -2.184) 2.201 15.057 ( 3.757 0.000 5.779) 6.893 15.072 ( 5.837 0.000 -5.843) 8.259 16.552 ( 0.738 0.000 -0.078) 0.742 16.572 ( 0.741 0.000 -0.405) 0.844 16.621 ( 0.507 0.000 0.398) 0.645 16.663 ( 0.774 0.000 -0.389) 0.867 16.672 ( 0.060 0.000 1.222) 1.223 16.756 ( -0.009 0.000 0.461) 0.461 17.202 ( -0.203 0.000 3.970) 3.975 17.307 ( -0.153 0.000 -4.507) 4.509 22.848 ( -0.557 0.000 0.477) 0.734 22.973 ( -3.158 0.000 0.720) 3.239 23.251 ( -1.422 0.000 -0.889) 1.677 23.302 ( -0.260 0.000 6.620) 6.625 23.580 ( -6.728 0.000 3.843) 7.748 23.610 ( 3.026 0.000 5.553) 6.324 23.692 ( 3.076 0.000 0.580) 3.130 23.926 ( -8.741 0.000 0.854) 8.783 23.979 ( 3.952 0.000 -3.864) 5.527 24.029 ( -2.870 0.000 -0.294) 2.885 24.038 ( -3.896 0.000 1.461) 4.161 24.441 ( -1.839 0.000 1.711) 2.512 24.619 ( 6.440 0.000 -0.061) 6.440 24.648 ( -5.104 0.000 4.012) 6.492 24.887 ( -2.940 0.000 -11.265) 11.642 25.044 ( 0.916 0.000 8.422) 8.472 25.374 ( 7.719 0.000 0.387) 7.729 25.620 ( 8.548 0.000 4.280) 9.560 25.883 ( -0.373 0.000 3.696) 3.715 25.996 ( 0.548 0.000 0.745) 0.925 26.192 ( 2.044 0.000 -10.527) 10.724 26.236 ( -2.584 0.000 -14.360) 14.590 27.061 ( -1.987 0.000 6.805) 7.089 27.665 ( -5.923 0.000 -5.947) 8.394 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 2.307 0.000 3.087) 3.854 1.464 ( 4.078 0.000 -11.687) 12.378 1.706 ( 8.150 0.000 3.607) 8.912 1.724 ( 11.432 0.000 -4.095) 12.143 1.913 ( -1.292 0.000 5.639) 5.785 1.980 ( 7.289 0.000 -5.580) 9.180 2.137 ( -6.468 0.000 -3.904) 7.555 2.247 ( 9.248 0.000 0.510) 9.262 2.404 ( -1.354 0.000 -1.937) 2.363 2.443 ( -4.468 0.000 6.564) 7.940 2.517 ( 3.214 0.000 5.917) 6.734 2.614 ( -1.687 0.000 -3.946) 4.291 2.713 ( -9.938 0.000 -1.824) 10.104 2.724 ( 1.300 0.000 -0.494) 1.391 2.914 ( -5.180 0.000 -4.346) 6.762 2.928 ( -0.754 0.000 -2.734) 2.836 2.952 ( 0.334 0.000 -8.710) 8.716 2.955 ( 5.236 0.000 4.327) 6.793 3.178 ( 0.362 0.000 10.146) 10.152 3.232 ( -0.648 0.000 -6.521) 6.553 3.304 ( -14.236 0.000 -1.217) 14.288 3.381 ( 3.407 0.000 8.907) 9.536 3.433 ( -6.194 0.000 7.828) 9.982 3.460 ( 2.509 0.000 -7.425) 7.837 3.530 ( -0.907 0.000 -1.811) 2.025 3.549 ( -1.230 0.000 -4.936) 5.087 3.567 ( 5.933 0.000 2.918) 6.612 3.695 ( 6.648 0.000 -5.920) 8.901 3.707 ( 4.508 0.000 18.351) 18.896 3.913 ( -1.119 0.000 2.828) 3.041 3.950 ( -0.837 0.000 -4.652) 4.727 3.996 ( -6.276 0.000 1.450) 6.442 4.038 ( 11.350 0.000 5.184) 12.477 4.134 ( 3.074 0.000 -2.901) 4.226 4.254 ( 4.602 0.000 3.799) 5.968 4.272 ( 3.636 0.000 -1.560) 3.956 4.404 ( 8.290 0.000 1.772) 8.478 4.485 ( 1.755 0.000 -1.009) 2.025 4.510 ( 0.702 0.000 -6.772) 6.808 4.570 ( 5.076 0.000 -6.109) 7.943 4.575 ( 2.681 0.000 6.031) 6.600 4.655 ( 12.005 0.000 -0.849) 12.035 4.766 ( -3.455 0.000 -0.746) 3.535 4.782 ( -3.310 0.000 -8.727) 9.334 4.948 ( 3.657 0.000 0.296) 3.669 4.971 ( 3.685 0.000 -0.112) 3.687 5.065 ( 0.866 0.000 5.695) 5.760 5.121 ( 0.695 0.000 4.671) 4.722 5.129 ( 3.317 0.000 -2.494) 4.150 5.178 ( 4.860 0.000 -1.591) 5.114 5.197 ( -9.261 0.000 8.263) 12.411 5.228 ( 8.254 0.000 5.926) 10.161 5.306 ( -4.689 0.000 -8.785) 9.958 5.345 ( 3.189 0.000 -7.297) 7.963 5.401 ( 0.122 0.000 0.762) 0.772 5.504 ( -5.546 0.000 8.220) 9.916 5.531 ( -6.505 0.000 -4.670) 8.008 5.555 ( 1.000 0.000 -3.716) 3.848 5.623 ( 0.193 0.000 -6.977) 6.980 5.681 ( -13.993 0.000 5.986) 15.220 5.759 ( -3.654 0.000 4.996) 6.190 5.806 ( 5.388 0.000 2.928) 6.132 5.963 ( 5.604 0.000 3.444) 6.578 5.966 ( -7.254 0.000 1.097) 7.336 6.040 ( 5.923 0.000 -7.481) 9.542 6.098 ( -2.257 0.000 6.901) 7.261 6.139 ( 1.321 0.000 3.753) 3.979 6.192 ( 0.969 0.000 -9.639) 9.688 6.267 ( 1.437 0.000 5.696) 5.875 6.339 ( 6.169 0.000 3.794) 7.242 6.389 ( 0.009 0.000 3.958) 3.958 6.402 ( 0.530 0.000 0.168) 0.556 6.446 ( -1.698 0.000 -5.565) 5.818 6.458 ( -2.078 0.000 -3.068) 3.706 6.538 ( -4.562 0.000 -6.113) 7.628 6.701 ( 0.175 0.000 0.802) 0.821 6.802 ( -1.464 0.000 -4.102) 4.355 6.825 ( -5.120 0.000 -0.577) 5.153 6.898 ( -2.904 0.000 -1.169) 3.130 6.979 ( -7.096 0.000 7.491) 10.318 7.038 ( -1.979 0.000 -5.020) 5.396 7.168 ( -6.996 0.000 -5.949) 9.183 7.419 ( -0.125 0.000 -0.458) 0.475 7.445 ( -1.629 0.000 -5.389) 5.630 7.505 ( 0.900 0.000 9.426) 9.469 7.706 ( 0.962 0.000 -6.526) 6.597 7.927 ( -1.187 0.000 -0.075) 1.189 7.979 ( -2.231 0.000 2.903) 3.661 8.121 ( 1.895 0.000 -0.914) 2.104 8.205 ( -1.904 0.000 -0.294) 1.927 8.302 ( 2.125 0.000 0.683) 2.232 8.394 ( -5.451 0.000 2.781) 6.119 8.463 ( -1.644 0.000 3.335) 3.718 8.518 ( -0.118 0.000 -3.362) 3.364 8.585 ( 5.010 0.000 4.062) 6.450 8.744 ( 4.643 0.000 -2.830) 5.437 8.827 ( -1.004 0.000 -0.868) 1.327 8.853 ( -2.416 0.000 2.370) 3.384 9.200 ( -1.155 0.000 2.948) 3.167 9.238 ( 0.236 0.000 -2.499) 2.510 9.911 ( -0.938 0.000 3.331) 3.461 9.984 ( 1.838 0.000 -8.217) 8.420 10.322 ( 2.379 0.000 1.632) 2.885 10.379 ( -1.136 0.000 3.411) 3.595 10.414 ( -0.983 0.000 1.648) 1.919 10.450 ( 1.249 0.000 -4.971) 5.126 10.736 ( 2.843 0.000 5.845) 6.499 10.961 ( -3.769 0.000 -0.315) 3.782 10.978 ( 2.153 0.000 -3.708) 4.288 11.040 ( -1.374 0.000 -0.862) 1.622 11.149 ( -1.537 0.000 -0.450) 1.601 11.199 ( 1.429 0.000 2.305) 2.712 11.215 ( -3.151 0.000 -1.966) 3.715 11.321 ( -0.500 0.000 -1.185) 1.287 11.486 ( 1.598 0.000 -0.456) 1.662 11.525 ( -1.387 0.000 0.491) 1.472 11.566 ( 2.768 0.000 1.399) 3.101 11.641 ( -1.381 0.000 2.521) 2.874 11.665 ( -2.680 0.000 2.342) 3.559 11.680 ( -0.835 0.000 1.676) 1.872 11.710 ( -0.459 0.000 -0.213) 0.506 11.731 ( -0.518 0.000 -3.211) 3.252 11.950 ( -0.945 0.000 2.673) 2.835 11.982 ( 2.086 0.000 -3.881) 4.406 12.810 ( 0.785 0.000 4.332) 4.403 12.871 ( 1.043 0.000 -2.336) 2.559 12.901 ( 1.558 0.000 3.202) 3.561 13.185 ( -9.290 0.000 -2.826) 9.710 14.013 ( 2.138 0.000 3.532) 4.128 14.206 ( -1.865 0.000 -4.846) 5.193 14.382 ( 2.394 0.000 1.983) 3.108 14.439 ( 2.033 0.000 -1.564) 2.565 14.808 ( 0.417 0.000 2.044) 2.086 14.860 ( 0.322 0.000 -2.230) 2.253 15.110 ( 0.931 0.000 5.207) 5.290 15.159 ( 3.970 0.000 -5.742) 6.981 16.565 ( 0.536 0.000 0.200) 0.572 16.582 ( 0.262 0.000 -0.370) 0.454 16.634 ( 0.789 0.000 -0.039) 0.790 16.657 ( -0.443 0.000 0.136) 0.464 16.701 ( 1.820 0.000 0.151) 1.826 16.751 ( -0.599 0.000 0.441) 0.744 17.205 ( -0.047 0.000 3.704) 3.705 17.298 ( -0.204 0.000 -4.243) 4.248 22.853 ( 1.128 0.000 -0.289) 1.164 22.922 ( -2.024 0.000 0.007) 2.024 23.243 ( 1.172 0.000 -3.671) 3.854 23.278 ( -4.398 0.000 6.074) 7.499 23.491 ( 0.538 0.000 -1.217) 1.330 23.618 ( -4.681 0.000 5.565) 7.272 23.792 ( 4.849 0.000 3.454) 5.953 23.855 ( 2.603 0.000 1.384) 2.948 23.970 ( -3.493 0.000 1.352) 3.745 23.977 ( -1.759 0.000 6.734) 6.960 24.070 ( 4.777 0.000 -6.427) 8.008 24.327 ( -7.081 0.000 -3.989) 8.128 24.532 ( -6.214 0.000 5.449) 8.264 24.756 ( -2.242 0.000 -5.712) 6.136 24.820 ( 5.838 0.000 -0.501) 5.859 25.054 ( -1.155 0.000 5.918) 6.029 25.536 ( 8.659 0.000 0.127) 8.659 25.785 ( 6.864 0.000 5.404) 8.735 25.881 ( -0.328 0.000 5.794) 5.803 25.980 ( -3.626 0.000 -2.105) 4.193 26.115 ( -5.019 0.000 -12.598) 13.561 26.196 ( -0.088 0.000 -12.795) 12.796 27.120 ( 5.676 0.000 7.499) 9.405 27.523 ( -7.900 0.000 -3.053) 8.469 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -2.524 0.000 3.577) 4.378 1.499 ( 1.815 0.000 -10.078) 10.240 1.746 ( -4.959 0.000 3.146) 5.873 1.917 ( 1.007 0.000 -11.304) 11.349 1.964 ( 5.213 0.000 -1.574) 5.445 2.052 ( 6.979 0.000 -0.027) 6.979 2.115 ( 5.826 0.000 -2.088) 6.189 2.224 ( -13.954 0.000 0.721) 13.973 2.345 ( 0.844 0.000 1.616) 1.823 2.389 ( 2.876 0.000 -3.536) 4.558 2.542 ( -1.866 0.000 0.206) 1.877 2.596 ( -0.668 0.000 -3.152) 3.222 2.679 ( 3.058 0.000 5.670) 6.442 2.811 ( 6.051 0.000 0.859) 6.112 2.907 ( -8.198 0.000 -11.241) 13.912 2.910 ( -1.762 0.000 -5.320) 5.604 2.968 ( 12.661 0.000 0.832) 12.688 2.989 ( -3.022 0.000 4.260) 5.223 3.114 ( 0.927 0.000 -2.365) 2.540 3.204 ( -0.317 0.000 -2.320) 2.342 3.277 ( 5.915 0.000 3.274) 6.761 3.353 ( -2.311 0.000 4.798) 5.326 3.417 ( -3.028 0.000 -8.321) 8.855 3.424 ( 0.323 0.000 1.951) 1.977 3.498 ( -1.373 0.000 -1.803) 2.267 3.521 ( -0.434 0.000 -3.717) 3.742 3.639 ( -3.890 0.000 12.843) 13.419 3.733 ( 2.006 0.000 1.467) 2.485 3.816 ( -0.580 0.000 -2.433) 2.501 3.834 ( -3.857 0.000 -3.072) 4.931 3.968 ( 6.629 0.000 5.502) 8.614 4.004 ( 4.241 0.000 7.454) 8.576 4.120 ( 0.052 0.000 -5.214) 5.214 4.124 ( -2.407 0.000 -3.723) 4.433 4.329 ( 1.428 0.000 0.292) 1.458 4.334 ( -1.439 0.000 0.883) 1.688 4.452 ( -3.804 0.000 5.749) 6.893 4.490 ( -2.445 0.000 1.758) 3.011 4.545 ( 4.185 0.000 0.804) 4.262 4.595 ( -1.709 0.000 2.458) 2.994 4.656 ( -6.303 0.000 -3.676) 7.297 4.670 ( 3.877 0.000 -1.858) 4.299 4.757 ( -0.437 0.000 6.398) 6.413 4.870 ( 0.427 0.000 -0.935) 1.028 4.943 ( -11.547 0.000 13.049) 17.424 4.952 ( -3.839 0.000 4.734) 6.095 5.002 ( 4.327 0.000 -2.997) 5.264 5.139 ( 2.791 0.000 1.867) 3.358 5.165 ( 7.046 0.000 -2.465) 7.464 5.206 ( 0.312 0.000 1.859) 1.884 5.207 ( -5.817 0.000 1.101) 5.920 5.234 ( -3.759 0.000 -6.388) 7.412 5.282 ( 1.438 0.000 0.198) 1.452 5.298 ( -8.083 0.000 10.936) 13.599 5.403 ( 2.075 0.000 3.188) 3.804 5.413 ( 0.290 0.000 -3.717) 3.728 5.521 ( -2.193 0.000 1.479) 2.645 5.553 ( 12.325 0.000 -8.323) 14.872 5.597 ( 1.745 0.000 0.614) 1.850 5.616 ( -1.829 0.000 -10.532) 10.689 5.797 ( -4.778 0.000 1.539) 5.020 5.813 ( 8.230 0.000 1.421) 8.352 5.968 ( -3.057 0.000 8.573) 9.102 6.008 ( 3.076 0.000 1.170) 3.290 6.072 ( 2.492 0.000 1.810) 3.080 6.125 ( -2.283 0.000 -1.839) 2.931 6.169 ( -1.196 0.000 0.044) 1.196 6.184 ( 3.709 0.000 -8.512) 9.285 6.261 ( -5.396 0.000 4.727) 7.173 6.360 ( -1.322 0.000 -3.078) 3.350 6.387 ( -0.345 0.000 -2.367) 2.392 6.393 ( 0.992 0.000 0.512) 1.116 6.401 ( -3.425 0.000 -2.261) 4.104 6.431 ( 0.764 0.000 -1.150) 1.380 6.550 ( 8.060 0.000 6.734) 10.503 6.692 ( -6.545 0.000 -5.679) 8.665 6.771 ( 1.693 0.000 -2.306) 2.861 6.780 ( -2.168 0.000 -1.073) 2.419 6.851 ( -3.510 0.000 2.841) 4.515 6.905 ( 5.847 0.000 -1.897) 6.147 7.053 ( -4.544 0.000 -3.917) 6.000 7.056 ( 4.001 0.000 -2.736) 4.847 7.400 ( -1.949 0.000 -0.166) 1.956 7.408 ( -1.005 0.000 0.886) 1.340 7.539 ( 1.429 0.000 7.541) 7.675 7.710 ( 0.602 0.000 -7.915) 7.938 7.937 ( -1.924 0.000 0.431) 1.971 7.963 ( 3.990 0.000 -2.196) 4.554 8.150 ( -3.112 0.000 0.679) 3.185 8.169 ( 2.946 0.000 -1.421) 3.271 8.336 ( 2.534 0.000 0.186) 2.541 8.342 ( -0.669 0.000 0.145) 0.684 8.445 ( -0.892 0.000 4.287) 4.379 8.495 ( -1.482 0.000 -1.271) 1.953 8.673 ( 1.577 0.000 6.502) 6.690 8.774 ( -4.198 0.000 -2.465) 4.868 8.808 ( -1.688 0.000 1.532) 2.280 8.832 ( 4.116 0.000 -1.506) 4.382 9.183 ( -1.039 0.000 3.589) 3.736 9.235 ( 0.011 0.000 -1.522) 1.523 9.899 ( -0.536 0.000 1.974) 2.046 10.009 ( 1.690 0.000 -8.467) 8.634 10.350 ( -0.199 0.000 4.667) 4.672 10.368 ( -0.439 0.000 0.275) 0.518 10.423 ( 1.838 0.000 -2.809) 3.357 10.460 ( 0.730 0.000 -4.130) 4.194 10.794 ( 2.033 0.000 6.846) 7.142 10.892 ( -3.163 0.000 -2.147) 3.823 11.003 ( 0.657 0.000 -1.360) 1.510 11.023 ( -0.326 0.000 -1.365) 1.403 11.140 ( 1.284 0.000 -1.411) 1.908 11.182 ( 0.390 0.000 -4.299) 4.317 11.239 ( 1.887 0.000 2.952) 3.504 11.294 ( -1.757 0.000 -2.128) 2.760 11.497 ( -1.489 0.000 0.815) 1.697 11.517 ( 1.549 0.000 -0.917) 1.800 11.591 ( -2.999 0.000 3.957) 4.965 11.592 ( -1.894 0.000 8.126) 8.343 11.653 ( 2.364 0.000 -0.868) 2.518 11.690 ( 0.328 0.000 1.135) 1.181 11.710 ( 0.673 0.000 -1.836) 1.956 11.727 ( 0.948 0.000 -4.644) 4.740 11.926 ( -2.124 0.000 4.712) 5.169 11.999 ( -0.016 0.000 -2.091) 2.091 12.831 ( 0.478 0.000 2.979) 3.017 12.892 ( 1.188 0.000 -3.207) 3.420 12.956 ( 4.326 0.000 4.043) 5.921 13.036 ( -5.343 0.000 -3.346) 6.304 14.055 ( 1.787 0.000 4.929) 5.243 14.156 ( -2.625 0.000 -4.818) 5.486 14.410 ( 0.200 0.000 2.455) 2.463 14.454 ( -0.419 0.000 -1.717) 1.768 14.816 ( 0.157 0.000 1.941) 1.947 14.861 ( -0.021 0.000 -2.325) 2.326 15.108 ( -1.716 0.000 4.481) 4.798 15.210 ( 2.127 0.000 -5.399) 5.803 16.571 ( -0.001 0.000 0.556) 0.556 16.580 ( -0.456 0.000 -0.037) 0.458 16.650 ( 0.897 0.000 -0.498) 1.026 16.650 ( -0.324 0.000 -0.363) 0.487 16.734 ( -1.181 0.000 0.049) 1.182 16.734 ( 1.435 0.000 0.190) 1.448 17.208 ( -0.207 0.000 3.816) 3.822 17.290 ( -0.099 0.000 -3.965) 3.966 22.890 ( 2.561 0.000 -1.153) 2.809 22.890 ( -1.323 0.000 -1.455) 1.967 23.206 ( -2.310 0.000 2.856) 3.673 23.297 ( 5.255 0.000 -5.993) 7.971 23.508 ( -5.759 0.000 4.406) 7.251 23.564 ( 5.856 0.000 -0.750) 5.904 23.855 ( 0.262 0.000 5.650) 5.656 23.892 ( -4.595 0.000 4.772) 6.625 23.938 ( 2.787 0.000 1.583) 3.205 23.964 ( -0.234 0.000 4.387) 4.393 24.160 ( 5.266 0.000 -3.907) 6.558 24.198 ( -5.269 0.000 -5.609) 7.695 24.469 ( -0.296 0.000 7.623) 7.629 24.669 ( -1.817 0.000 -10.762) 10.914 24.982 ( 7.827 0.000 4.047) 8.811 25.008 ( -4.131 0.000 2.217) 4.689 25.700 ( 8.198 0.000 2.678) 8.625 25.784 ( -9.264 0.000 -5.061) 10.556 25.889 ( 0.393 0.000 6.122) 6.135 25.919 ( 1.421 0.000 5.020) 5.217 26.080 ( 1.089 0.000 -8.755) 8.822 26.150 ( -3.259 0.000 -13.910) 14.286 27.253 ( 6.515 0.000 8.748) 10.908 27.364 ( -8.199 0.000 -1.873) 8.410 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -10.846 0.000 9.350) 14.320 1.520 ( 0.016 0.000 -12.665) 12.665 1.577 ( -8.740 0.000 4.123) 9.664 1.832 ( -4.611 0.000 -8.859) 9.987 1.958 ( -10.966 0.000 0.690) 10.988 2.077 ( 4.407 0.000 0.959) 4.510 2.188 ( 4.627 0.000 -16.112) 16.763 2.228 ( 2.819 0.000 2.192) 3.571 2.375 ( 1.297 0.000 2.546) 2.857 2.520 ( 8.915 0.000 -1.901) 9.116 2.535 ( -1.184 0.000 4.787) 4.931 2.594 ( 2.966 0.000 3.365) 4.485 2.721 ( 1.970 0.000 2.462) 3.153 2.734 ( -5.249 0.000 -10.768) 11.979 2.847 ( -2.567 0.000 -7.069) 7.521 2.918 ( 3.656 0.000 -3.792) 5.268 2.993 ( 2.899 0.000 -2.907) 4.105 3.101 ( -1.248 0.000 -0.278) 1.278 3.119 ( -5.666 0.000 -5.106) 7.627 3.235 ( 9.923 0.000 4.202) 10.776 3.319 ( -4.951 0.000 7.047) 8.612 3.376 ( 4.179 0.000 -5.036) 6.544 3.398 ( 1.037 0.000 2.162) 2.398 3.510 ( -0.153 0.000 -4.383) 4.386 3.512 ( -0.630 0.000 2.653) 2.727 3.545 ( 11.096 0.000 2.281) 11.328 3.582 ( 1.645 0.000 -2.690) 3.153 3.666 ( -6.704 0.000 -6.958) 9.663 3.725 ( -3.049 0.000 7.590) 8.179 3.867 ( 1.448 0.000 11.786) 11.874 4.043 ( -1.293 0.000 -5.394) 5.547 4.065 ( -3.345 0.000 1.791) 3.794 4.082 ( -2.711 0.000 1.353) 3.030 4.117 ( -3.522 0.000 8.929) 9.599 4.160 ( -2.062 0.000 -4.234) 4.709 4.316 ( -2.008 0.000 -4.031) 4.503 4.385 ( -9.534 0.000 5.160) 10.841 4.430 ( -1.541 0.000 3.413) 3.745 4.477 ( -9.552 0.000 1.246) 9.633 4.580 ( -8.797 0.000 5.792) 10.532 4.607 ( -0.503 0.000 -10.928) 10.940 4.608 ( -2.495 0.000 4.595) 5.229 4.681 ( -1.741 0.000 -1.080) 2.049 4.742 ( -5.515 0.000 -2.208) 5.940 4.813 ( -5.325 0.000 9.877) 11.221 4.947 ( -9.164 0.000 1.156) 9.236 4.986 ( -1.622 0.000 10.599) 10.723 5.065 ( -2.266 0.000 5.141) 5.618 5.085 ( -2.515 0.000 0.731) 2.619 5.203 ( -1.169 0.000 -5.625) 5.745 5.205 ( 4.659 0.000 -2.092) 5.107 5.272 ( 1.448 0.000 1.496) 2.082 5.352 ( -0.378 0.000 4.675) 4.691 5.375 ( 6.021 0.000 5.565) 8.199 5.447 ( 2.156 0.000 -8.601) 8.867 5.466 ( -4.248 0.000 0.729) 4.310 5.500 ( 3.709 0.000 3.183) 4.888 5.557 ( -5.401 0.000 -13.253) 14.311 5.595 ( 8.559 0.000 -1.016) 8.619 5.716 ( 2.091 0.000 6.277) 6.616 5.863 ( -2.488 0.000 2.322) 3.403 5.879 ( -5.671 0.000 -2.988) 6.410 5.887 ( 9.363 0.000 -4.869) 10.553 6.002 ( 1.712 0.000 -2.319) 2.883 6.040 ( -3.211 0.000 3.576) 4.806 6.121 ( 1.531 0.000 9.145) 9.273 6.154 ( 2.935 0.000 -8.885) 9.357 6.193 ( -3.120 0.000 -0.355) 3.140 6.274 ( 4.742 0.000 2.727) 5.470 6.365 ( 0.908 0.000 -2.385) 2.552 6.374 ( -0.866 0.000 1.791) 1.989 6.422 ( 2.012 0.000 -4.252) 4.704 6.425 ( 2.588 0.000 5.080) 5.701 6.452 ( 1.402 0.000 -2.375) 2.758 6.550 ( -5.910 0.000 -7.514) 9.560 6.671 ( 2.901 0.000 5.481) 6.202 6.724 ( 1.458 0.000 1.141) 1.851 6.823 ( 4.679 0.000 -0.252) 4.685 6.889 ( 3.512 0.000 0.130) 3.514 6.983 ( -2.271 0.000 -1.789) 2.891 7.072 ( 9.623 0.000 0.206) 9.626 7.147 ( 5.277 0.000 -5.524) 7.639 7.384 ( -1.581 0.000 1.708) 2.327 7.385 ( 0.328 0.000 1.317) 1.357 7.564 ( -0.073 0.000 6.543) 6.544 7.707 ( 0.025 0.000 -8.910) 8.910 7.926 ( 1.169 0.000 -0.222) 1.190 8.037 ( 3.373 0.000 -1.920) 3.881 8.121 ( 0.533 0.000 -2.021) 2.090 8.210 ( 1.603 0.000 -1.066) 1.925 8.329 ( -1.683 0.000 -1.021) 1.968 8.414 ( 1.127 0.000 3.913) 4.072 8.436 ( 2.733 0.000 1.544) 3.139 8.472 ( -0.525 0.000 0.873) 1.018 8.638 ( -4.504 0.000 7.218) 8.508 8.673 ( -4.942 0.000 -3.478) 6.043 8.806 ( 0.383 0.000 1.333) 1.387 8.893 ( 2.329 0.000 -1.733) 2.903 9.164 ( -1.535 0.000 4.646) 4.893 9.245 ( 1.222 0.000 -1.519) 1.949 9.899 ( 0.442 0.000 0.334) 0.554 10.021 ( 0.415 0.000 -6.936) 6.949 10.330 ( -2.343 0.000 6.432) 6.846 10.354 ( -1.051 0.000 -2.480) 2.694 10.471 ( 3.689 0.000 -5.174) 6.355 10.491 ( 3.586 0.000 -4.562) 5.803 10.822 ( -0.166 0.000 7.538) 7.540 10.835 ( -2.317 0.000 -4.049) 4.665 11.010 ( 0.573 0.000 1.139) 1.275 11.036 ( 2.379 0.000 -2.429) 3.400 11.183 ( 2.011 0.000 1.220) 2.352 11.203 ( 1.285 0.000 -4.487) 4.667 11.262 ( -0.667 0.000 -3.615) 3.676 11.271 ( 1.528 0.000 1.424) 2.089 11.469 ( -1.836 0.000 1.276) 2.236 11.525 ( -1.149 0.000 1.776) 2.115 11.558 ( -0.330 0.000 0.958) 1.014 11.573 ( -0.492 0.000 6.629) 6.648 11.681 ( -0.151 0.000 1.983) 1.989 11.687 ( -0.474 0.000 1.143) 1.238 11.749 ( 3.735 0.000 -3.732) 5.280 11.752 ( 1.642 0.000 -3.243) 3.635 11.886 ( -2.176 0.000 4.577) 5.068 11.981 ( -1.374 0.000 -0.370) 1.423 12.831 ( -0.582 0.000 1.733) 1.828 12.899 ( 0.346 0.000 -4.266) 4.280 12.980 ( -0.427 0.000 -4.257) 4.278 13.089 ( 8.799 0.000 6.450) 10.910 14.092 ( -3.457 0.000 -4.343) 5.551 14.093 ( 1.412 0.000 5.873) 6.040 14.395 ( -1.972 0.000 2.457) 3.150 14.418 ( -3.041 0.000 -1.484) 3.383 14.817 ( -0.312 0.000 1.966) 1.991 14.855 ( -0.236 0.000 -2.468) 2.479 15.059 ( -3.745 0.000 3.990) 5.473 15.226 ( 0.161 0.000 -5.946) 5.949 16.566 ( -0.927 0.000 0.214) 0.952 16.568 ( -0.309 0.000 0.600) 0.675 16.643 ( -0.384 0.000 -0.646) 0.752 16.664 ( 0.487 0.000 -0.435) 0.654 16.709 ( -1.168 0.000 -0.649) 1.336 16.754 ( 0.635 0.000 0.296) 0.701 17.206 ( -0.414 0.000 4.376) 4.396 17.285 ( 0.150 0.000 -3.932) 3.935 22.871 ( -0.307 0.000 -2.034) 2.057 22.939 ( 2.433 0.000 -1.168) 2.699 23.208 ( 2.150 0.000 -0.329) 2.175 23.398 ( 1.068 0.000 -3.322) 3.489 23.469 ( 6.549 0.000 -1.332) 6.683 23.686 ( 5.533 0.000 -0.337) 5.543 23.790 ( -6.551 0.000 4.331) 7.854 23.817 ( -2.340 0.000 4.842) 5.378 23.939 ( -2.753 0.000 3.967) 4.828 23.983 ( 1.247 0.000 1.781) 2.174 24.127 ( -1.109 0.000 -6.532) 6.626 24.267 ( 6.122 0.000 0.061) 6.122 24.544 ( 6.180 0.000 9.770) 11.561 24.683 ( 3.842 0.000 -8.521) 9.347 24.903 ( -6.779 0.000 -2.104) 7.098 25.113 ( 5.382 0.000 0.425) 5.398 25.581 ( -10.165 0.000 -4.966) 11.313 25.846 ( 4.746 0.000 6.874) 8.354 25.906 ( 0.890 0.000 3.189) 3.311 25.926 ( -1.866 0.000 5.250) 5.571 26.036 ( -5.977 0.000 -12.076) 13.475 26.106 ( 2.565 0.000 -7.520) 7.946 27.214 ( -6.704 0.000 -1.598) 6.892 27.380 ( 5.281 0.000 10.485) 11.740 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.741 0.000 16.014) 19.857 1.377 ( -6.669 0.000 9.831) 11.879 1.609 ( 6.213 0.000 -9.277) 11.165 1.719 ( -4.689 0.000 -14.049) 14.810 1.759 ( -9.845 0.000 -1.243) 9.923 2.150 ( -4.495 0.000 -5.076) 6.780 2.165 ( 2.885 0.000 -1.561) 3.280 2.325 ( 6.533 0.000 -9.616) 11.625 2.329 ( -8.989 0.000 8.749) 12.544 2.467 ( -1.570 0.000 4.141) 4.429 2.563 ( -2.606 0.000 -10.575) 10.891 2.671 ( 0.621 0.000 4.668) 4.709 2.750 ( 7.053 0.000 -6.496) 9.588 2.783 ( 0.982 0.000 0.756) 1.239 2.809 ( -6.847 0.000 12.953) 14.652 2.929 ( 0.353 0.000 -4.721) 4.734 3.021 ( -2.101 0.000 -1.466) 2.562 3.032 ( 1.096 0.000 7.768) 7.845 3.168 ( -4.407 0.000 -4.109) 6.026 3.209 ( 11.630 0.000 -8.141) 14.196 3.323 ( -1.868 0.000 8.681) 8.880 3.359 ( -5.116 0.000 0.273) 5.123 3.392 ( -5.954 0.000 -1.168) 6.068 3.471 ( 4.405 0.000 -7.438) 8.644 3.546 ( -4.202 0.000 -3.987) 5.793 3.569 ( 4.922 0.000 -0.744) 4.978 3.633 ( 3.367 0.000 0.200) 3.373 3.641 ( -1.871 0.000 7.116) 7.358 3.864 ( 10.894 0.000 1.516) 10.999 3.871 ( -14.308 0.000 -5.401) 15.293 3.928 ( 0.421 0.000 12.414) 12.421 3.995 ( -2.228 0.000 -9.024) 9.295 4.004 ( 0.795 0.000 9.807) 9.839 4.098 ( -6.427 0.000 -3.453) 7.296 4.169 ( 3.833 0.000 -8.300) 9.142 4.169 ( -10.856 0.000 -0.005) 10.856 4.305 ( -4.118 0.000 -2.919) 5.048 4.313 ( -1.057 0.000 7.477) 7.552 4.378 ( -7.266 0.000 7.183) 10.217 4.442 ( -3.500 0.000 2.713) 4.429 4.480 ( -3.840 0.000 2.785) 4.744 4.496 ( -5.917 0.000 -15.546) 16.634 4.686 ( -4.128 0.000 1.710) 4.468 4.688 ( -1.990 0.000 3.057) 3.648 4.780 ( 2.871 0.000 -0.503) 2.915 4.900 ( 0.403 0.000 6.593) 6.606 4.949 ( -2.515 0.000 5.781) 6.304 5.012 ( -2.520 0.000 2.466) 3.526 5.060 ( -0.307 0.000 3.172) 3.187 5.163 ( -2.808 0.000 -1.132) 3.027 5.253 ( -2.581 0.000 1.527) 2.999 5.260 ( -5.141 0.000 4.760) 7.006 5.304 ( 0.835 0.000 0.362) 0.910 5.363 ( -7.700 0.000 -9.366) 12.125 5.377 ( -2.683 0.000 -0.916) 2.835 5.470 ( 1.629 0.000 -4.593) 4.873 5.492 ( 4.814 0.000 4.353) 6.490 5.640 ( 6.977 0.000 1.321) 7.101 5.676 ( -3.797 0.000 5.730) 6.874 5.762 ( 7.002 0.000 -3.940) 8.034 5.860 ( -1.194 0.000 0.361) 1.247 5.912 ( 3.943 0.000 0.661) 3.998 5.955 ( -1.277 0.000 -1.676) 2.107 5.981 ( -2.708 0.000 -5.140) 5.809 6.013 ( 1.666 0.000 1.553) 2.278 6.099 ( -1.474 0.000 7.333) 7.479 6.191 ( 4.410 0.000 -4.019) 5.966 6.248 ( 4.592 0.000 -4.263) 6.266 6.314 ( -2.649 0.000 3.329) 4.254 6.374 ( -0.096 0.000 -2.637) 2.638 6.416 ( 6.296 0.000 -0.512) 6.317 6.442 ( -0.682 0.000 -0.288) 0.740 6.478 ( 1.796 0.000 6.879) 7.109 6.488 ( 1.751 0.000 -5.754) 6.014 6.523 ( 6.621 0.000 -5.382) 8.532 6.717 ( 1.195 0.000 5.311) 5.444 6.801 ( 4.865 0.000 -1.356) 5.051 6.899 ( -2.561 0.000 -0.632) 2.638 6.927 ( 5.032 0.000 0.803) 5.096 7.003 ( 4.553 0.000 2.882) 5.388 7.156 ( -0.606 0.000 -0.529) 0.805 7.302 ( 10.462 0.000 -2.622) 10.786 7.351 ( -1.977 0.000 1.361) 2.400 7.403 ( 0.828 0.000 0.517) 0.976 7.559 ( -0.871 0.000 7.400) 7.451 7.692 ( 0.041 0.000 -9.048) 9.048 7.965 ( 1.850 0.000 0.700) 1.978 8.062 ( -2.133 0.000 1.196) 2.446 8.153 ( 2.917 0.000 -6.640) 7.252 8.244 ( 2.351 0.000 -1.628) 2.859 8.264 ( -3.341 0.000 -1.833) 3.811 8.355 ( -5.471 0.000 7.694) 9.441 8.481 ( 1.137 0.000 1.973) 2.277 8.500 ( -1.776 0.000 3.814) 4.207 8.592 ( 1.095 0.000 4.558) 4.688 8.607 ( -1.279 0.000 -4.560) 4.736 8.821 ( 1.360 0.000 0.771) 1.563 8.917 ( 0.391 0.000 -1.751) 1.794 9.143 ( -0.920 0.000 5.137) 5.218 9.271 ( 1.407 0.000 -1.998) 2.444 9.914 ( 0.973 0.000 -0.064) 0.975 10.011 ( -0.400 0.000 -5.449) 5.464 10.285 ( -2.909 0.000 6.674) 7.280 10.326 ( -1.116 0.000 -3.962) 4.116 10.560 ( 6.579 0.000 -6.252) 9.076 10.590 ( 7.073 0.000 -5.474) 8.944 10.799 ( -0.629 0.000 -4.965) 5.004 10.814 ( -1.173 0.000 5.971) 6.085 11.032 ( 1.114 0.000 2.499) 2.736 11.097 ( 2.852 0.000 -4.097) 4.992 11.183 ( -1.422 0.000 8.114) 8.237 11.192 ( -1.270 0.000 -2.542) 2.842 11.269 ( 1.101 0.000 -3.481) 3.651 11.329 ( 4.359 0.000 -3.607) 5.658 11.429 ( -2.083 0.000 1.794) 2.749 11.490 ( -2.681 0.000 5.400) 6.029 11.571 ( -0.740 0.000 4.130) 4.196 11.577 ( 1.672 0.000 -1.904) 2.534 11.668 ( -0.831 0.000 1.796) 1.979 11.678 ( -0.753 0.000 2.429) 2.543 11.768 ( 0.360 0.000 -1.319) 1.367 11.825 ( 4.213 0.000 -3.598) 5.540 11.868 ( 0.005 0.000 2.379) 2.379 11.962 ( -0.382 0.000 0.032) 0.383 12.820 ( -0.718 0.000 1.788) 1.927 12.920 ( 2.688 0.000 -5.443) 6.071 12.980 ( 0.919 0.000 -5.661) 5.735 13.300 ( 11.571 0.000 6.902) 13.473 14.012 ( -4.249 0.000 -3.011) 5.207 14.119 ( 0.327 0.000 6.391) 6.400 14.341 ( -4.440 0.000 -0.929) 4.536 14.344 ( -3.534 0.000 2.129) 4.126 14.813 ( -0.285 0.000 2.093) 2.113 14.848 ( -0.053 0.000 -2.555) 2.555 14.980 ( -4.705 0.000 3.362) 5.783 15.194 ( -2.884 0.000 -7.511) 8.045 16.549 ( -0.797 0.000 0.236) 0.831 16.562 ( -0.311 0.000 0.274) 0.414 16.635 ( -0.363 0.000 -0.745) 0.829 16.656 ( -1.241 0.000 0.304) 1.278 16.702 ( 0.639 0.000 -1.511) 1.641 16.758 ( -0.298 0.000 0.449) 0.539 17.205 ( -0.317 0.000 5.198) 5.208 17.287 ( 0.535 0.000 -4.113) 4.148 22.875 ( 0.962 0.000 -2.115) 2.324 22.970 ( 0.547 0.000 0.910) 1.062 23.271 ( 4.137 0.000 -2.913) 5.060 23.399 ( 1.618 0.000 -2.178) 2.713 23.651 ( -5.989 0.000 2.313) 6.420 23.687 ( -2.133 0.000 -0.677) 2.238 23.689 ( 11.923 0.000 -3.795) 12.513 23.878 ( -3.228 0.000 2.939) 4.365 23.909 ( 8.252 0.000 2.494) 8.621 24.008 ( 1.869 0.000 2.041) 2.767 24.136 ( 2.630 0.000 -5.630) 6.214 24.385 ( 5.366 0.000 3.594) 6.459 24.666 ( -0.144 0.000 5.313) 5.315 24.751 ( 2.907 0.000 -5.672) 6.374 24.763 ( -3.184 0.000 -4.709) 5.684 25.184 ( 2.050 0.000 -4.444) 4.894 25.394 ( -8.397 0.000 -3.006) 8.918 25.746 ( -11.847 0.000 -9.111) 14.946 25.877 ( -3.246 0.000 6.158) 6.961 25.940 ( 0.052 0.000 10.530) 10.530 26.007 ( 1.882 0.000 2.147) 2.855 26.150 ( 2.716 0.000 -7.779) 8.239 27.141 ( 0.778 0.000 -0.823) 1.133 27.474 ( 2.676 0.000 12.227) 12.516 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -2.996 0.000 21.427) 21.636 1.339 ( -0.620 0.000 23.466) 23.474 1.548 ( -11.444 0.000 -8.870) 14.480 1.678 ( 3.593 0.000 -20.607) 20.918 1.755 ( 8.078 0.000 -6.373) 10.290 2.030 ( -8.126 0.000 0.560) 8.145 2.039 ( -10.691 0.000 10.651) 15.092 2.298 ( 2.960 0.000 11.192) 11.577 2.367 ( -2.092 0.000 -10.478) 10.685 2.463 ( -2.342 0.000 0.354) 2.369 2.497 ( -13.559 0.000 21.022) 25.015 2.541 ( 0.707 0.000 -10.329) 10.353 2.595 ( -5.417 0.000 3.146) 6.265 2.855 ( 5.061 0.000 -6.842) 8.511 2.856 ( 3.764 0.000 7.044) 7.986 2.974 ( 4.623 0.000 -8.453) 9.635 3.078 ( 2.254 0.000 -3.131) 3.857 3.121 ( 3.587 0.000 4.745) 5.948 3.168 ( 2.131 0.000 -6.381) 6.727 3.216 ( -8.769 0.000 -2.338) 9.075 3.287 ( 0.324 0.000 5.268) 5.278 3.317 ( -4.525 0.000 -3.409) 5.665 3.342 ( -0.696 0.000 -0.357) 0.782 3.480 ( -0.470 0.000 -7.908) 7.922 3.523 ( 6.016 0.000 -3.445) 6.932 3.608 ( -5.966 0.000 2.219) 6.365 3.615 ( -2.090 0.000 12.054) 12.234 3.640 ( -2.879 0.000 0.183) 2.884 3.643 ( -0.216 0.000 -1.973) 1.985 3.812 ( -11.327 0.000 -4.734) 12.276 3.957 ( -0.269 0.000 -7.743) 7.748 3.995 ( -6.124 0.000 1.686) 6.352 4.016 ( -2.169 0.000 -3.888) 4.452 4.048 ( 0.302 0.000 2.164) 2.185 4.051 ( 7.684 0.000 6.724) 10.210 4.167 ( -4.937 0.000 3.532) 6.070 4.214 ( -1.716 0.000 -4.423) 4.744 4.253 ( -1.664 0.000 -0.626) 1.778 4.320 ( -2.237 0.000 -2.523) 3.372 4.475 ( 2.411 0.000 -2.572) 3.526 4.480 ( 6.352 0.000 0.905) 6.416 4.525 ( 7.028 0.000 -2.031) 7.316 4.631 ( -1.226 0.000 -1.806) 2.182 4.642 ( -1.083 0.000 -2.040) 2.309 4.799 ( -8.423 0.000 8.914) 12.264 4.839 ( 0.877 0.000 -3.890) 3.988 4.907 ( -1.912 0.000 6.916) 7.176 5.034 ( -0.085 0.000 -0.880) 0.884 5.087 ( 2.836 0.000 2.862) 4.029 5.118 ( 0.050 0.000 -0.105) 0.116 5.159 ( -3.472 0.000 8.314) 9.009 5.231 ( 0.242 0.000 -1.125) 1.150 5.272 ( -0.030 0.000 -3.147) 3.147 5.327 ( 0.062 0.000 -2.251) 2.252 5.338 ( -1.659 0.000 -2.019) 2.613 5.524 ( 5.420 0.000 -2.470) 5.956 5.544 ( -2.025 0.000 3.041) 3.653 5.653 ( 2.731 0.000 4.216) 5.024 5.671 ( -2.489 0.000 3.779) 4.525 5.780 ( -11.236 0.000 -3.220) 11.688 5.822 ( 0.114 0.000 2.376) 2.379 5.876 ( 2.643 0.000 -3.259) 4.196 5.939 ( -1.234 0.000 1.983) 2.336 5.974 ( -1.230 0.000 2.025) 2.369 6.120 ( 8.105 0.000 -4.661) 9.350 6.201 ( 8.725 0.000 -4.536) 9.834 6.247 ( -4.459 0.000 4.178) 6.111 6.269 ( 2.580 0.000 -0.894) 2.731 6.330 ( 4.002 0.000 -4.445) 5.981 6.348 ( 0.193 0.000 2.263) 2.272 6.458 ( 1.440 0.000 0.453) 1.510 6.468 ( -2.843 0.000 6.500) 7.095 6.514 ( 2.223 0.000 -3.634) 4.260 6.555 ( 5.807 0.000 -0.862) 5.871 6.597 ( 1.028 0.000 -3.178) 3.340 6.725 ( -3.274 0.000 2.256) 3.976 6.862 ( 0.695 0.000 -2.647) 2.737 6.902 ( 6.087 0.000 1.025) 6.173 6.976 ( -1.208 0.000 0.685) 1.388 7.099 ( -4.472 0.000 0.347) 4.486 7.126 ( 7.452 0.000 2.688) 7.922 7.326 ( -0.313 0.000 2.563) 2.582 7.386 ( -1.670 0.000 -2.142) 2.716 7.475 ( 4.853 0.000 -1.123) 4.982 7.566 ( 0.819 0.000 8.692) 8.730 7.724 ( 5.983 0.000 -6.740) 9.012 7.935 ( -8.832 0.000 -1.038) 8.893 7.964 ( -2.723 0.000 1.462) 3.091 8.214 ( 4.151 0.000 -5.437) 6.841 8.238 ( -6.203 0.000 9.110) 11.021 8.250 ( 1.114 0.000 -1.431) 1.813 8.304 ( 2.729 0.000 -3.527) 4.459 8.435 ( -3.596 0.000 6.473) 7.405 8.504 ( 0.603 0.000 0.271) 0.661 8.602 ( 1.146 0.000 -3.587) 3.765 8.627 ( 0.668 0.000 2.667) 2.750 8.850 ( 1.198 0.000 0.234) 1.220 8.907 ( -1.001 0.000 -1.702) 1.975 9.156 ( 1.678 0.000 4.620) 4.916 9.284 ( 0.040 0.000 -2.132) 2.132 9.928 ( 0.267 0.000 0.938) 0.975 9.999 ( -0.042 0.000 -5.032) 5.032 10.242 ( -2.315 0.000 5.973) 6.406 10.311 ( 0.264 0.000 -4.943) 4.950 10.687 ( 5.465 0.000 -1.850) 5.770 10.707 ( 3.339 0.000 -0.084) 3.340 10.802 ( 1.599 0.000 -5.103) 5.347 10.813 ( 1.681 0.000 -0.545) 1.767 11.041 ( -0.531 0.000 2.188) 2.252 11.068 ( -3.500 0.000 0.787) 3.588 11.177 ( 0.594 0.000 -1.029) 1.188 11.215 ( 2.073 0.000 1.008) 2.305 11.289 ( 1.581 0.000 -1.801) 2.397 11.356 ( -1.935 0.000 0.657) 2.044 11.446 ( -2.082 0.000 5.254) 5.652 11.453 ( 4.555 0.000 -2.956) 5.430 11.558 ( -1.011 0.000 3.998) 4.124 11.594 ( 0.150 0.000 -1.314) 1.322 11.665 ( -0.677 0.000 2.579) 2.667 11.670 ( 0.889 0.000 -0.690) 1.126 11.778 ( 1.095 0.000 0.340) 1.146 11.853 ( -0.577 0.000 -0.129) 0.592 11.917 ( 3.727 0.000 -1.955) 4.209 11.962 ( 0.076 0.000 -0.429) 0.436 12.810 ( -0.619 0.000 2.897) 2.962 12.945 ( -0.016 0.000 -7.728) 7.728 13.052 ( 8.425 0.000 -4.619) 9.608 13.450 ( -1.631 0.000 0.670) 1.763 13.980 ( 4.556 0.000 0.345) 4.569 14.115 ( -1.837 0.000 6.503) 6.757 14.262 ( -3.152 0.000 -0.350) 3.171 14.275 ( -3.514 0.000 1.497) 3.820 14.816 ( 0.417 0.000 2.257) 2.295 14.848 ( 0.379 0.000 -2.453) 2.482 14.899 ( -3.700 0.000 2.441) 4.433 15.087 ( -7.121 0.000 -7.716) 10.499 16.539 ( -0.143 0.000 0.161) 0.215 16.556 ( -0.358 0.000 -0.240) 0.430 16.629 ( -0.100 0.000 -0.730) 0.737 16.632 ( -1.115 0.000 0.464) 1.207 16.718 ( 1.046 0.000 -1.301) 1.669 16.743 ( -1.314 0.000 0.791) 1.534 17.208 ( -0.057 0.000 5.532) 5.533 17.295 ( 0.892 0.000 -4.287) 4.378 22.901 ( 2.041 0.000 -2.012) 2.867 22.957 ( -1.936 0.000 2.419) 3.098 23.347 ( 4.141 0.000 -3.635) 5.510 23.458 ( 2.975 0.000 0.791) 3.078 23.514 ( -5.891 0.000 3.346) 6.775 23.685 ( 2.342 0.000 -4.033) 4.664 23.847 ( 0.789 0.000 -1.265) 1.491 23.948 ( 13.178 0.000 -6.151) 14.543 23.964 ( -2.075 0.000 3.805) 4.334 24.151 ( 9.133 0.000 -0.354) 9.140 24.201 ( 4.469 0.000 -3.694) 5.798 24.385 ( -12.245 0.000 -2.063) 12.417 24.494 ( -5.624 0.000 1.347) 5.784 24.739 ( -4.030 0.000 -4.489) 6.033 24.818 ( 3.035 0.000 1.225) 3.273 25.150 ( -5.688 0.000 -7.474) 9.392 25.307 ( 1.188 0.000 0.077) 1.190 25.522 ( -8.619 0.000 -1.225) 8.705 25.844 ( -0.411 0.000 6.856) 6.869 25.948 ( -1.555 0.000 11.345) 11.451 26.001 ( -1.012 0.000 1.236) 1.597 26.183 ( 1.762 0.000 -9.958) 10.112 27.286 ( 14.194 0.000 -1.071) 14.234 27.495 ( -2.618 0.000 12.941) 13.204 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.534 11.740 18.562) 21.970 1.386 ( -9.325 11.049 20.609) 25.175 1.457 ( -3.033 5.585 -10.346) 12.142 1.782 ( -7.641 -3.100 9.900) 12.884 1.812 ( 6.083 2.696 -10.519) 12.447 1.903 ( -7.603 1.436 4.259) 8.832 2.077 ( 11.352 4.751 2.653) 12.589 2.180 ( -0.205 -3.449 -12.509) 12.977 2.291 ( -1.675 -3.708 5.365) 6.733 2.328 ( 5.144 -4.999 4.930) 8.704 2.410 ( 1.290 0.388 2.685) 3.004 2.638 ( -2.540 6.870 5.812) 9.350 2.650 ( 3.585 -4.477 -4.501) 7.291 2.819 ( -2.358 -5.274 -6.164) 8.448 2.872 ( -1.298 0.139 2.442) 2.769 2.951 ( 0.917 -3.435 7.017) 7.866 3.064 ( 2.718 0.332 0.374) 2.763 3.074 ( 2.387 -0.912 -2.206) 3.376 3.134 ( -7.050 0.394 -5.898) 9.200 3.209 ( -5.052 3.827 -1.142) 6.440 3.266 ( 3.755 2.714 0.921) 4.724 3.342 ( -0.067 0.587 4.279) 4.319 3.407 ( 0.664 0.982 -0.105) 1.190 3.440 ( -3.895 -3.523 -8.921) 10.352 3.536 ( -6.107 -3.762 -2.819) 7.707 3.544 ( -2.834 -0.560 -2.616) 3.897 3.615 ( 2.602 2.024 1.784) 3.748 3.635 ( 2.824 -1.715 -0.204) 3.311 3.661 ( 3.412 1.470 5.119) 6.325 3.777 ( 4.153 4.790 -1.445) 6.503 3.910 ( -0.326 -0.031 3.683) 3.698 3.952 ( 0.371 2.457 -0.348) 2.509 3.977 ( 1.242 -0.747 0.918) 1.716 4.043 ( -2.102 4.097 1.516) 4.848 4.134 ( -1.285 7.649 -4.680) 9.058 4.198 ( -2.157 2.744 -2.409) 4.241 4.209 ( -0.862 -5.270 -4.422) 6.933 4.279 ( 0.378 4.572 -0.489) 4.613 4.338 ( -1.155 3.759 2.317) 4.564 4.427 ( 3.458 0.037 -4.718) 5.850 4.551 ( 1.071 -1.395 -2.294) 2.890 4.597 ( 0.811 -3.228 -1.069) 3.496 4.613 ( 0.763 -0.167 2.028) 2.173 4.678 ( -3.336 -0.399 -0.112) 3.362 4.809 ( -2.333 3.422 -1.845) 4.534 4.838 ( 7.116 3.663 -3.055) 8.566 4.913 ( 2.095 -0.425 0.946) 2.338 5.003 ( 1.233 -0.609 -5.487) 5.657 5.030 ( 3.210 -6.484 3.020) 7.840 5.078 ( -2.049 -2.773 -0.759) 3.531 5.219 ( 1.142 -2.324 3.528) 4.376 5.266 ( -0.422 0.548 -0.828) 1.079 5.292 ( -1.184 5.106 6.903) 8.668 5.333 ( -2.294 -2.840 1.342) 3.890 5.420 ( 7.442 -2.806 -3.265) 8.598 5.443 ( -1.970 4.867 -4.570) 6.961 5.548 ( -4.846 -1.856 3.756) 6.406 5.591 ( 2.058 -7.253 1.942) 7.786 5.632 ( 0.271 -6.189 0.193) 6.198 5.648 ( 3.161 -0.598 -4.629) 5.638 5.818 ( -0.470 -3.430 3.718) 5.080 5.898 ( 0.585 -0.551 -1.380) 1.597 5.937 ( 7.134 2.884 0.399) 7.705 5.996 ( -4.702 2.306 -5.541) 7.624 6.093 ( 2.105 -4.942 0.109) 5.373 6.122 ( -6.293 -0.467 -0.428) 6.324 6.245 ( -3.648 1.306 0.483) 3.905 6.306 ( 2.215 1.197 -3.446) 4.267 6.390 ( 1.575 -0.428 3.133) 3.533 6.424 ( -1.396 0.243 0.526) 1.511 6.449 ( -0.699 -0.031 1.608) 1.754 6.504 ( -0.295 -1.221 -4.489) 4.661 6.525 ( -1.617 1.927 7.734) 8.133 6.581 ( -3.356 3.230 3.094) 5.592 6.688 ( 2.862 0.636 -3.156) 4.307 6.705 ( 2.768 4.644 -3.877) 6.653 6.865 ( -3.163 -0.278 4.058) 5.152 6.929 ( 1.887 1.067 -0.727) 2.287 7.000 ( -5.237 0.490 2.191) 5.698 7.038 ( 5.172 0.603 -0.584) 5.240 7.269 ( 5.181 -0.533 0.469) 5.229 7.303 ( -4.067 -1.943 -1.380) 4.714 7.391 ( 0.876 2.597 2.808) 3.923 7.492 ( 0.355 -0.782 -5.450) 5.518 7.641 ( 1.710 2.690 9.648) 10.161 7.788 ( -3.550 1.750 -4.016) 5.639 7.824 ( 1.012 -2.983 3.462) 4.680 7.916 ( 0.277 -0.091 -3.006) 3.020 8.097 ( -2.235 -2.997 3.672) 5.240 8.213 ( 3.152 -5.633 -4.495) 7.866 8.289 ( 0.037 1.105 2.777) 2.989 8.359 ( -0.860 0.822 -1.339) 1.791 8.468 ( -0.237 1.957 0.149) 1.976 8.509 ( 1.969 3.062 -1.433) 3.913 8.608 ( -0.721 -1.064 2.408) 2.729 8.665 ( 1.411 1.510 -3.188) 3.799 8.846 ( 0.621 -1.282 0.294) 1.454 8.869 ( -0.895 -1.078 -1.881) 2.345 9.154 ( 1.829 -3.648 4.075) 5.767 9.224 ( -1.139 -3.582 -2.916) 4.757 9.997 ( -0.761 6.135 2.428) 6.641 10.070 ( 0.021 5.854 -4.397) 7.321 10.223 ( -0.740 0.531 3.979) 4.082 10.326 ( 1.645 -0.197 -5.409) 5.657 10.570 ( -3.702 -6.053 7.511) 10.333 10.684 ( -2.680 -6.951 0.148) 7.451 10.721 ( -1.444 -2.444 3.188) 4.269 10.825 ( -0.452 -2.981 -2.908) 4.189 11.034 ( 0.649 -0.638 -0.018) 0.910 11.059 ( 1.619 -2.013 -3.219) 4.127 11.116 ( -0.817 -6.255 0.800) 6.358 11.145 ( 1.646 -4.954 -1.236) 5.364 11.335 ( -0.794 2.917 0.364) 3.045 11.358 ( -0.892 3.310 -1.048) 3.585 11.464 ( -0.951 0.979 3.479) 3.737 11.531 ( 1.887 0.845 -0.744) 2.197 11.574 ( -0.954 2.650 1.771) 3.327 11.622 ( 1.458 2.135 -0.826) 2.714 11.660 ( 0.176 -0.601 -0.061) 0.629 11.699 ( 1.202 0.495 -2.283) 2.627 11.829 ( -0.152 2.091 2.930) 3.602 11.871 ( -0.800 3.432 0.202) 3.530 11.945 ( -0.654 -0.550 -0.371) 0.932 11.982 ( 1.992 0.751 -2.575) 3.342 12.827 ( -1.561 2.202 5.758) 6.359 12.957 ( -0.308 2.839 -6.003) 6.648 13.127 ( -13.762 -5.460 5.966) 15.962 13.227 ( 10.293 -3.134 -3.452) 11.300 14.057 ( -4.319 0.405 3.502) 5.575 14.109 ( 7.072 -2.648 -0.700) 7.583 14.198 ( 0.469 -2.127 0.179) 2.185 14.211 ( -0.305 -2.633 -0.890) 2.796 14.883 ( 0.105 1.223 2.040) 2.380 14.909 ( 1.398 2.623 1.301) 3.244 14.916 ( 2.573 4.101 -1.912) 5.205 14.974 ( -4.789 3.214 -4.586) 7.368 16.544 ( 0.187 0.106 0.232) 0.317 16.549 ( -0.175 0.127 -0.211) 0.302 16.624 ( -0.385 0.383 0.616) 0.821 16.637 ( 0.245 0.206 -0.598) 0.678 16.765 ( -1.612 4.969 1.791) 5.523 16.795 ( 0.942 5.554 -1.215) 5.763 17.165 ( -0.642 -4.033 4.867) 6.354 17.259 ( 0.861 -4.477 -4.150) 6.165 22.956 ( -3.487 3.755 1.488) 5.336 22.988 ( 4.055 3.171 -1.622) 5.397 23.320 ( -4.934 -5.213 3.731) 8.089 23.352 ( 2.661 -5.603 1.498) 6.381 23.520 ( -1.534 0.537 5.273) 5.517 23.683 ( -1.847 -3.142 -8.724) 9.454 23.869 ( -0.108 3.049 3.893) 4.946 23.946 ( -2.528 3.705 -3.208) 5.514 24.081 ( -3.064 3.870 0.355) 4.949 24.120 ( 3.823 -1.172 -2.639) 4.791 24.307 ( 2.324 1.883 -0.682) 3.068 24.332 ( -6.626 1.258 -2.630) 7.238 24.536 ( 4.008 4.256 5.688) 8.156 24.657 ( -2.079 2.894 -5.802) 6.808 24.886 ( 6.305 -1.588 2.943) 7.137 24.974 ( -7.029 -3.310 -5.947) 9.785 25.330 ( 1.111 -4.452 2.605) 5.277 25.333 ( -1.038 -3.954 2.533) 4.809 25.861 ( 0.614 -0.614 4.242) 4.330 25.922 ( 1.148 0.141 1.369) 1.792 26.076 ( 1.105 2.011 1.388) 2.682 26.186 ( 2.827 -0.809 -8.603) 9.091 27.398 ( -6.454 0.676 8.444) 10.649 27.554 ( 9.846 -3.024 -6.599) 12.233 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 4.014 1.435 18.562) 19.045 1.380 ( 2.900 4.071 18.982) 19.629 1.420 ( 3.937 10.028 -7.733) 13.261 1.556 ( -11.854 2.677 4.606) 12.996 1.788 ( -2.016 -5.387 -5.007) 7.625 1.957 ( 3.499 -2.172 0.057) 4.119 2.140 ( 1.175 2.191 4.154) 4.841 2.254 ( 5.632 3.342 -12.000) 13.671 2.325 ( -6.750 1.016 6.318) 9.301 2.434 ( 6.128 3.328 3.013) 7.597 2.520 ( 8.488 -1.269 5.344) 10.110 2.628 ( -2.288 -9.369 0.576) 9.662 2.696 ( 2.570 2.751 10.636) 11.283 2.771 ( 4.166 1.126 -13.192) 13.879 2.889 ( 2.064 -4.753 -9.875) 11.151 2.953 ( -0.055 -2.191 5.540) 5.958 3.031 ( -1.269 6.114 5.870) 8.570 3.103 ( 0.895 -0.222 2.968) 3.108 3.150 ( 2.952 6.583 -5.494) 9.068 3.169 ( 2.537 -1.910 -1.969) 3.737 3.256 ( -3.094 -2.362 0.400) 3.913 3.298 ( -4.010 0.607 8.102) 9.060 3.395 ( -0.303 -1.793 -0.747) 1.965 3.463 ( 1.149 0.011 -5.745) 5.859 3.476 ( -0.660 1.077 -4.042) 4.235 3.598 ( 8.111 2.301 2.423) 8.772 3.612 ( 0.772 -2.210 0.973) 2.535 3.680 ( 1.538 0.707 -1.002) 1.967 3.768 ( 2.454 3.460 -1.303) 4.438 3.817 ( -2.899 -4.623 2.479) 5.994 3.845 ( -2.989 4.194 5.225) 7.337 3.961 ( 3.429 -1.001 -1.777) 3.990 3.978 ( -3.108 7.501 -0.055) 8.119 4.058 ( 3.442 1.584 3.769) 5.344 4.116 ( 3.402 0.271 -3.968) 5.234 4.167 ( -2.289 0.248 -0.879) 2.464 4.208 ( 2.652 3.509 3.363) 5.537 4.291 ( 0.583 1.671 -1.347) 2.224 4.370 ( 3.342 2.332 -4.286) 5.915 4.471 ( -1.081 -1.449 -1.987) 2.686 4.558 ( -0.032 -2.651 -2.032) 3.341 4.596 ( 1.433 -2.319 0.622) 2.796 4.655 ( 6.781 3.825 -3.740) 8.638 4.726 ( 6.885 -0.078 -2.662) 7.382 4.774 ( -1.760 3.508 -4.171) 5.727 4.919 ( 1.725 0.097 -3.761) 4.139 4.983 ( 3.887 -3.306 1.533) 5.328 5.022 ( -2.100 -3.924 -1.814) 4.806 5.078 ( 4.132 3.651 -6.436) 8.475 5.097 ( 0.551 -5.997 2.976) 6.717 5.168 ( -1.592 -3.837 3.732) 5.584 5.228 ( -3.482 2.525 -3.157) 5.335 5.263 ( 2.223 -1.308 -1.571) 3.020 5.336 ( -0.249 2.853 -0.162) 2.869 5.429 ( -0.670 0.203 -0.236) 0.738 5.473 ( -0.593 2.788 -0.951) 3.005 5.568 ( 4.718 -1.276 1.496) 5.112 5.603 ( -1.840 -8.584 1.974) 8.998 5.682 ( 5.462 -3.748 1.931) 6.900 5.750 ( 6.325 -0.666 -4.800) 7.968 5.804 ( -0.663 -2.546 0.616) 2.703 5.851 ( -2.897 -3.669 -5.180) 6.978 5.895 ( -3.291 -2.010 -0.959) 3.974 5.980 ( -6.285 -0.598 0.518) 6.335 6.029 ( -0.485 -0.603 1.862) 2.016 6.130 ( -0.515 -4.466 4.196) 6.149 6.183 ( -4.771 3.607 -0.187) 5.984 6.266 ( -4.468 0.475 0.546) 4.527 6.318 ( -6.446 1.473 0.352) 6.622 6.385 ( -0.974 1.596 -0.543) 1.947 6.411 ( -4.704 2.860 3.596) 6.575 6.471 ( 2.033 -0.177 0.322) 2.066 6.541 ( -2.770 2.834 3.623) 5.369 6.559 ( 1.421 -0.415 -1.406) 2.041 6.658 ( -4.684 3.508 -1.669) 6.085 6.800 ( 5.417 -0.668 -0.988) 5.547 6.824 ( -1.386 1.909 3.033) 3.842 6.882 ( -5.654 2.506 1.561) 6.379 7.021 ( 3.403 1.181 -2.502) 4.386 7.099 ( 1.533 1.089 0.373) 1.917 7.212 ( -4.241 -1.248 -2.297) 4.981 7.350 ( 2.471 -2.180 -1.575) 3.652 7.407 ( 0.582 0.383 3.857) 3.919 7.494 ( 0.059 1.802 -6.079) 6.341 7.601 ( -6.464 2.335 5.443) 8.767 7.704 ( -2.846 1.018 -3.203) 4.404 7.886 ( 6.515 0.422 3.481) 7.399 7.971 ( 2.447 -4.720 0.175) 5.320 8.066 ( -1.791 -2.011 -0.449) 2.730 8.232 ( -1.026 -2.621 -0.906) 2.957 8.290 ( -0.262 1.692 2.356) 2.912 8.356 ( 1.053 -2.348 -4.223) 4.945 8.448 ( -0.828 -2.738 1.532) 3.245 8.554 ( -1.602 -0.426 2.654) 3.129 8.588 ( 1.645 3.542 -2.626) 4.706 8.692 ( 1.336 1.616 -3.397) 3.992 8.846 ( -0.270 -0.930 -0.590) 1.134 8.870 ( 0.551 -1.029 0.225) 1.189 9.180 ( 0.133 -3.517 2.909) 4.566 9.201 ( -0.401 -3.054 -3.105) 4.374 9.982 ( -1.083 5.227 2.961) 6.104 10.053 ( -1.321 5.124 -2.882) 6.025 10.228 ( 0.783 0.115 2.807) 2.916 10.359 ( 2.422 -0.969 -5.459) 6.050 10.484 ( -5.154 -2.990 7.796) 9.812 10.574 ( -6.916 -2.331 4.444) 8.545 10.697 ( -1.544 -0.699 4.501) 4.809 10.831 ( 1.559 -4.567 -2.801) 5.580 11.026 ( -1.255 -2.445 2.046) 3.425 11.090 ( 0.377 -3.810 -2.314) 4.473 11.104 ( 0.657 -4.265 -0.331) 4.328 11.210 ( 4.303 -2.685 -3.148) 5.969 11.286 ( -4.590 3.591 2.541) 6.358 11.326 ( -0.461 -0.584 -0.777) 1.076 11.448 ( -1.762 1.357 -0.462) 2.271 11.525 ( -1.333 0.658 3.706) 3.993 11.596 ( 1.898 3.548 -1.957) 4.474 11.640 ( -0.211 1.221 0.806) 1.478 11.667 ( 0.911 -1.556 -2.820) 3.348 11.727 ( 1.790 0.692 -0.900) 2.120 11.791 ( -3.415 1.952 1.990) 4.408 11.853 ( -1.562 3.385 1.281) 3.942 11.933 ( -0.134 0.150 -1.731) 1.743 12.004 ( 0.520 1.755 -2.535) 3.126 12.807 ( -1.128 0.800 6.277) 6.428 12.916 ( -5.913 -0.968 7.551) 9.639 12.956 ( -1.161 5.368 -4.815) 7.304 13.370 ( 2.931 -5.797 -0.769) 6.542 13.985 ( -2.147 1.933 1.073) 3.082 14.198 ( 2.624 -2.307 -1.040) 3.646 14.230 ( 2.526 -1.692 -1.030) 3.210 14.262 ( 4.580 -4.380 -1.220) 6.454 14.883 ( 0.056 3.228 -0.595) 3.283 14.898 ( -2.309 4.006 -1.278) 4.797 14.968 ( 3.729 0.245 4.040) 5.504 14.988 ( 4.664 2.478 -4.030) 6.643 16.545 ( 0.257 0.252 0.047) 0.363 16.557 ( 0.764 0.024 -0.040) 0.765 16.623 ( 0.203 0.582 0.561) 0.833 16.646 ( 0.746 0.015 -0.417) 0.854 16.737 ( -1.366 4.916 1.990) 5.477 16.808 ( 0.409 5.462 -0.644) 5.515 17.158 ( -0.637 -4.232 4.348) 6.101 17.266 ( 0.333 -4.349 -4.156) 6.025 22.894 ( -2.606 2.235 0.811) 3.528 23.034 ( -0.351 2.138 -1.251) 2.502 23.238 ( -2.423 -3.548 2.662) 5.054 23.360 ( -3.789 -2.456 8.535) 9.656 23.520 ( 3.893 1.028 -2.230) 4.603 23.610 ( -3.912 0.645 5.277) 6.600 23.823 ( -6.499 0.052 0.358) 6.509 23.905 ( 2.139 3.531 -2.451) 4.802 24.048 ( -5.346 -3.051 -0.606) 6.185 24.119 ( -0.835 3.139 -1.317) 3.504 24.238 ( -6.319 5.872 1.707) 8.793 24.369 ( 5.934 3.672 3.007) 7.599 24.536 ( 0.962 -4.680 -1.029) 4.887 24.692 ( -0.445 1.053 -0.983) 1.508 24.879 ( -2.170 -2.282 -4.094) 5.165 25.045 ( 7.821 2.514 2.388) 8.555 25.265 ( -1.169 -2.412 1.379) 3.014 25.395 ( 3.447 -7.027 1.277) 7.930 25.886 ( 2.006 0.568 2.498) 3.253 26.003 ( 2.715 2.354 2.681) 4.483 26.083 ( 2.442 -3.272 -4.726) 6.245 26.227 ( 1.595 -1.044 -10.710) 10.878 27.251 ( -8.116 5.000 5.053) 10.788 27.661 ( 1.558 -5.943 -7.185) 9.453 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 9.828 -4.547 5.417) 12.108 1.371 ( 1.663 1.094 6.272) 6.580 1.501 ( 5.179 9.122 -7.519) 12.906 1.610 ( 8.929 5.144 13.493) 16.978 1.788 ( 2.806 -5.327 -3.732) 7.084 1.937 ( -1.944 -2.301 1.687) 3.453 2.186 ( -3.028 3.831 2.390) 5.437 2.273 ( 7.231 -3.539 -2.945) 8.573 2.281 ( -3.105 3.299 -6.674) 8.066 2.463 ( 0.465 0.620 0.602) 0.982 2.523 ( -2.404 2.499 12.070) 12.558 2.647 ( -2.180 -5.290 -2.065) 6.082 2.698 ( -2.393 -6.235 0.307) 6.685 2.891 ( 3.431 4.566 -7.671) 9.564 2.911 ( 3.099 -2.871 -0.116) 4.226 2.954 ( -1.532 4.948 2.232) 5.640 3.016 ( -3.091 5.362 -5.059) 7.993 3.116 ( -1.834 4.008 -1.914) 4.805 3.157 ( -1.414 -8.163 -1.048) 8.351 3.190 ( -2.434 -0.238 8.790) 9.124 3.291 ( 9.261 0.731 -1.366) 9.390 3.353 ( -3.004 1.096 -8.472) 9.055 3.374 ( 2.065 -2.074 -0.959) 3.080 3.424 ( 7.495 3.884 15.095) 17.295 3.571 ( 2.341 5.862 -0.983) 6.389 3.576 ( -5.547 -1.305 -0.403) 5.713 3.644 ( 6.624 -4.913 -0.440) 8.259 3.716 ( -0.600 6.538 6.488) 9.231 3.758 ( 1.035 4.568 -1.890) 5.051 3.809 ( -5.240 0.885 3.162) 6.184 3.888 ( 6.271 5.319 -1.704) 8.397 3.972 ( -1.637 0.843 2.235) 2.896 4.022 ( 7.508 0.851 5.630) 9.423 4.096 ( 2.746 -3.762 -6.311) 7.844 4.148 ( 2.095 3.203 0.978) 3.950 4.261 ( 7.816 0.034 1.557) 7.969 4.287 ( -0.466 0.573 1.271) 1.470 4.313 ( 6.480 -0.402 -0.341) 6.502 4.395 ( 1.381 0.190 -7.831) 7.955 4.480 ( 2.830 -2.618 1.274) 4.061 4.592 ( 1.866 -1.294 -3.627) 4.279 4.596 ( 1.204 3.909 1.292) 4.289 4.758 ( 1.865 1.018 -3.947) 4.483 4.830 ( 7.100 -1.061 -0.383) 7.189 4.854 ( 3.873 1.930 -4.269) 6.078 4.917 ( -1.537 -2.078 0.479) 2.629 4.996 ( 4.794 0.379 -5.709) 7.465 5.026 ( -0.579 -3.461 -0.872) 3.616 5.095 ( 3.697 -2.134 3.630) 5.603 5.112 ( -1.354 -1.939 0.631) 2.448 5.142 ( -2.042 -0.361 0.016) 2.074 5.250 ( 4.836 -5.392 -6.628) 9.818 5.293 ( -2.142 4.695 0.467) 5.182 5.375 ( 6.607 -2.984 -4.738) 8.660 5.389 ( -2.510 -0.670 2.341) 3.497 5.456 ( -1.634 0.158 -0.467) 1.707 5.599 ( 0.680 1.613 2.763) 3.271 5.613 ( 0.141 -1.951 -0.761) 2.099 5.708 ( -5.264 1.383 -2.935) 6.183 5.775 ( -3.913 -3.612 0.976) 5.414 5.811 ( -2.436 -2.305 1.905) 3.857 5.861 ( 1.603 -1.152 -3.629) 4.131 5.871 ( 6.663 -4.291 -0.114) 7.926 5.917 ( 3.108 -1.517 -1.342) 3.710 6.005 ( -8.991 3.623 4.263) 10.589 6.062 ( 0.566 -4.085 3.006) 5.104 6.125 ( -1.723 -3.217 1.781) 4.061 6.176 ( -2.830 -0.158 -0.432) 2.867 6.267 ( -2.085 0.389 1.581) 2.646 6.303 ( -4.438 1.220 2.157) 5.083 6.378 ( -1.564 -0.414 1.806) 2.424 6.440 ( -4.911 2.125 2.845) 6.060 6.483 ( -2.299 -0.749 -1.893) 3.071 6.562 ( -0.787 -0.698 -3.483) 3.638 6.591 ( -0.332 4.676 -0.619) 4.728 6.757 ( -4.441 3.522 -1.787) 5.943 6.811 ( -2.150 -1.393 -0.276) 2.576 6.904 ( 2.394 0.464 3.466) 4.238 6.981 ( -5.512 1.513 -1.548) 5.922 7.085 ( -3.318 -0.091 -3.360) 4.723 7.155 ( -2.046 4.014 1.588) 4.777 7.343 ( -3.994 -0.675 -6.658) 7.793 7.410 ( -1.233 0.429 0.364) 1.355 7.479 ( -0.973 1.525 8.105) 8.305 7.501 ( -2.238 2.345 -4.966) 5.930 7.680 ( 0.407 -0.636 -3.013) 3.106 7.973 ( -1.858 -2.500 -0.856) 3.230 7.993 ( -0.269 -2.327 2.926) 3.748 8.065 ( 4.736 -0.764 1.396) 4.996 8.204 ( -1.246 -0.699 1.198) 1.864 8.286 ( 0.255 1.202 0.150) 1.238 8.380 ( 1.849 -4.580 -3.910) 6.299 8.441 ( -0.746 -3.742 3.921) 5.471 8.471 ( -5.474 -3.153 4.098) 7.530 8.634 ( 1.809 5.652 -2.329) 6.375 8.711 ( 1.903 2.096 -3.547) 4.538 8.844 ( 0.041 0.508 -0.687) 0.855 8.872 ( -0.645 -0.742 1.982) 2.213 9.174 ( -0.390 -3.301 0.234) 3.332 9.203 ( 0.328 -2.716 -1.125) 2.958 9.965 ( -0.976 4.139 3.172) 5.306 10.026 ( -0.719 4.013 -2.769) 4.928 10.257 ( 1.910 -0.673 1.661) 2.619 10.395 ( 1.106 -1.151 -4.105) 4.404 10.426 ( -1.070 1.122 4.028) 4.316 10.486 ( -2.308 0.902 2.279) 3.366 10.689 ( 0.225 -0.277 5.504) 5.516 10.866 ( 2.344 -5.787 -3.659) 7.237 11.002 ( -1.340 -1.662 2.508) 3.294 11.071 ( -1.539 -1.922 1.441) 2.853 11.119 ( 0.237 -4.077 -3.085) 5.118 11.198 ( -4.461 1.163 2.988) 5.493 11.283 ( 3.310 -1.205 -2.612) 4.385 11.319 ( -0.881 0.149 -1.531) 1.772 11.412 ( -0.647 -0.155 -2.198) 2.297 11.511 ( -0.568 0.331 2.873) 2.947 11.597 ( -2.766 -0.142 0.346) 2.792 11.634 ( 1.157 1.850 0.806) 2.326 11.675 ( -1.235 -3.087 -1.566) 3.675 11.726 ( -1.214 3.161 2.183) 4.029 11.759 ( 0.331 1.189 -1.061) 1.628 11.821 ( -1.719 3.849 0.770) 4.285 11.939 ( 1.060 0.542 -1.723) 2.095 12.002 ( -0.138 2.440 -1.886) 3.087 12.804 ( 0.053 0.563 5.363) 5.393 12.852 ( -1.550 -0.013 3.647) 3.963 12.949 ( 0.213 4.987 -1.758) 5.292 13.319 ( -6.754 -4.491 -1.831) 8.315 13.992 ( 2.032 2.552 1.770) 3.711 14.231 ( 0.769 -0.328 -3.059) 3.171 14.283 ( 3.086 -3.027 0.159) 4.326 14.343 ( 3.798 -3.291 -0.787) 5.087 14.868 ( -0.551 5.082 0.036) 5.112 14.892 ( 0.524 2.820 -0.960) 3.024 15.044 ( 3.152 -1.256 5.002) 6.044 15.072 ( 4.396 -0.235 -5.281) 6.875 16.556 ( 0.765 0.339 0.042) 0.837 16.573 ( 0.798 0.012 -0.145) 0.811 16.632 ( 0.669 0.833 0.263) 1.100 16.662 ( 0.877 -0.143 -0.332) 0.948 16.721 ( -0.419 4.553 1.750) 4.896 16.808 ( -0.269 5.067 -0.446) 5.094 17.154 ( -0.232 -4.372 3.884) 5.852 17.262 ( -0.144 -4.229 -4.073) 5.873 22.863 ( -0.676 1.477 -0.056) 1.625 22.982 ( -3.555 0.369 0.367) 3.593 23.220 ( -0.484 -1.419 0.130) 1.505 23.320 ( -1.861 -0.449 7.131) 7.384 23.524 ( -3.187 -0.896 3.248) 4.638 23.637 ( 5.020 1.547 0.028) 5.253 23.739 ( -0.148 1.077 2.415) 2.648 23.901 ( -6.299 2.280 3.413) 7.518 23.949 ( -1.788 -5.289 -2.389) 6.073 24.093 ( -1.258 4.942 -2.668) 5.755 24.124 ( -3.347 7.070 0.299) 7.828 24.432 ( -5.439 -1.160 0.166) 5.564 24.585 ( 8.233 -2.415 4.116) 9.516 24.662 ( -3.573 0.709 3.600) 5.121 24.815 ( -3.217 -3.576 -5.328) 7.178 25.124 ( -0.242 4.734 1.366) 4.933 25.336 ( 7.747 -4.443 0.196) 8.933 25.507 ( 7.393 -8.313 1.117) 11.181 25.928 ( 1.548 3.636 1.408) 4.195 26.001 ( -0.774 0.663 1.673) 1.959 26.149 ( 0.579 -3.153 -4.275) 5.344 26.203 ( -0.774 -2.976 -13.217) 13.570 27.155 ( -1.603 7.659 4.085) 8.827 27.618 ( -4.444 -4.347 -4.498) 7.673 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 6.064 7.121 1.906) 9.545 1.565 ( 9.828 -8.035 -0.839) 12.722 1.606 ( 4.299 11.638 -5.043) 13.392 1.712 ( 2.433 -4.110 6.634) 8.174 1.852 ( 3.073 -3.402 -0.092) 4.585 1.999 ( 8.014 0.915 -7.825) 11.238 2.167 ( -4.523 2.813 1.677) 5.585 2.214 ( 1.164 -1.534 -0.782) 2.079 2.375 ( 4.398 -5.491 -0.589) 7.060 2.441 ( -5.105 0.632 -0.865) 5.216 2.501 ( -0.872 2.837 0.575) 3.023 2.590 ( -0.707 -0.704 2.177) 2.394 2.713 ( 3.119 -6.622 6.147) 9.558 2.786 ( -9.713 2.586 -5.013) 11.233 2.879 ( -0.206 0.867 -1.299) 1.575 2.940 ( -0.309 -0.618 -5.146) 5.192 3.015 ( -1.614 5.063 -0.892) 5.389 3.072 ( -0.665 4.322 -2.955) 5.277 3.127 ( 0.864 -0.392 -2.167) 2.366 3.206 ( 1.476 1.738 4.665) 5.192 3.322 ( -3.147 -0.920 -3.303) 4.654 3.363 ( -4.067 -6.472 0.308) 7.650 3.405 ( 1.916 7.799 -5.157) 9.545 3.473 ( -0.572 -2.616 3.729) 4.591 3.482 ( -2.267 3.452 6.879) 8.023 3.578 ( -0.092 2.733 1.540) 3.138 3.691 ( -2.809 2.809 -0.824) 4.057 3.724 ( 2.147 2.838 7.225) 8.054 3.822 ( 7.144 8.954 2.113) 11.647 3.863 ( -4.535 -3.236 3.553) 6.607 3.951 ( 1.366 -0.750 -2.318) 2.794 3.982 ( 7.637 1.260 -6.074) 9.839 4.124 ( -0.281 6.848 0.662) 6.886 4.156 ( 4.750 -6.535 0.284) 8.084 4.189 ( 0.114 1.458 2.063) 2.529 4.304 ( 9.301 3.905 1.141) 10.152 4.400 ( 4.525 -0.678 0.728) 4.633 4.433 ( 4.831 -1.942 -1.281) 5.362 4.473 ( 5.420 -2.476 1.492) 6.143 4.577 ( 3.706 -0.038 -2.177) 4.298 4.611 ( 1.786 -1.338 2.262) 3.177 4.657 ( 5.796 2.312 0.594) 6.268 4.754 ( -5.947 -2.068 0.132) 6.297 4.822 ( -2.984 0.564 -1.131) 3.241 4.859 ( 4.866 -4.873 0.780) 6.931 4.985 ( 0.707 -2.182 -3.084) 3.844 5.053 ( 2.269 -3.124 1.444) 4.122 5.077 ( 1.959 -0.781 -2.574) 3.327 5.100 ( 2.443 0.307 1.197) 2.738 5.159 ( 0.126 -2.428 2.887) 3.774 5.224 ( 5.718 1.431 -1.063) 5.990 5.254 ( 1.828 3.684 3.149) 5.180 5.286 ( -0.204 -1.704 -5.366) 5.634 5.365 ( 0.652 0.749 0.744) 1.241 5.444 ( 2.266 2.634 -1.489) 3.780 5.458 ( -1.140 -1.603 1.703) 2.602 5.534 ( -4.874 -0.160 -4.267) 6.480 5.571 ( -5.008 2.323 2.008) 5.875 5.657 ( 0.615 -0.777 2.029) 2.258 5.681 ( -8.975 -0.320 2.181) 9.242 5.749 ( -3.843 2.171 -1.427) 4.638 5.866 ( 2.485 3.875 2.121) 5.068 5.875 ( -2.004 -4.052 4.292) 6.234 5.959 ( 3.081 -4.159 -4.826) 7.077 6.011 ( 0.327 -1.470 -1.342) 2.017 6.073 ( 2.435 -2.799 1.949) 4.191 6.099 ( -0.384 -1.629 6.354) 6.570 6.156 ( 1.070 -4.395 -8.396) 9.537 6.242 ( 0.417 -0.473 1.855) 1.959 6.276 ( -0.394 -3.622 -0.827) 3.736 6.336 ( -1.313 -3.075 2.070) 3.932 6.397 ( -1.171 -0.215 0.734) 1.398 6.425 ( -3.278 -2.118 -0.439) 3.927 6.560 ( 1.286 4.909 -1.113) 5.195 6.613 ( -0.665 3.311 -2.668) 4.304 6.680 ( -1.370 1.299 -2.866) 3.432 6.741 ( -3.783 -2.838 -1.207) 4.881 6.864 ( -3.983 1.350 -0.528) 4.239 6.911 ( -2.273 0.806 -0.043) 2.412 6.997 ( -5.543 0.497 -0.885) 5.635 7.109 ( -2.620 6.504 0.422) 7.025 7.214 ( -6.320 2.846 -6.052) 9.201 7.372 ( -2.160 -2.803 -0.752) 3.617 7.439 ( -2.353 -0.368 -1.586) 2.861 7.516 ( 1.144 0.843 7.520) 7.653 7.689 ( 0.448 -1.522 -3.844) 4.159 7.928 ( -0.340 -0.267 0.073) 0.438 7.982 ( -1.366 -0.801 1.299) 2.048 8.138 ( 2.312 1.815 -0.457) 2.975 8.196 ( -0.074 -1.136 0.077) 1.141 8.301 ( 0.407 0.281 1.135) 1.238 8.356 ( -4.412 -2.231 2.236) 5.426 8.419 ( 2.159 -3.882 -1.245) 4.613 8.459 ( 0.386 -3.249 3.094) 4.504 8.655 ( 1.539 4.418 0.685) 4.728 8.768 ( 3.890 1.779 -3.364) 5.442 8.834 ( -1.299 0.539 -0.496) 1.491 8.848 ( -2.097 -0.339 2.911) 3.604 9.167 ( -0.469 -2.731 1.529) 3.165 9.203 ( -0.237 -3.058 -1.474) 3.403 9.954 ( -0.674 3.837 3.301) 5.106 10.024 ( 1.015 2.749 -5.501) 6.233 10.296 ( 1.428 -0.892 2.203) 2.772 10.388 ( -0.058 0.538 -2.915) 2.965 10.441 ( 0.998 2.983 1.485) 3.478 10.479 ( 0.769 1.109 -1.458) 1.987 10.717 ( 1.791 -1.325 5.536) 5.967 10.893 ( -0.005 -5.791 -3.877) 6.969 10.993 ( 0.744 1.085 1.983) 2.380 11.044 ( -0.948 -1.225 0.734) 1.714 11.102 ( -1.427 -1.534 -2.753) 3.459 11.133 ( -2.531 -3.394 1.694) 4.560 11.291 ( -0.916 3.177 -1.968) 3.848 11.318 ( 0.399 -0.292 -1.472) 1.553 11.428 ( 1.706 -2.940 -0.635) 3.458 11.489 ( -2.695 -1.392 1.880) 3.569 11.558 ( 0.123 -2.715 0.203) 2.725 11.619 ( -3.227 -1.890 1.977) 4.230 11.665 ( 1.738 3.354 0.794) 3.860 11.735 ( 0.469 1.829 0.643) 1.995 11.751 ( -0.621 1.554 -0.953) 1.926 11.788 ( -1.684 4.025 0.142) 4.365 11.958 ( 0.333 1.089 1.065) 1.560 12.000 ( 0.253 1.593 -2.087) 2.638 12.818 ( 0.731 0.739 4.320) 4.444 12.853 ( 1.111 -0.511 1.286) 1.775 12.954 ( 0.426 3.607 -0.525) 3.670 13.165 ( -7.844 -1.846 -3.184) 8.665 14.039 ( 2.174 2.600 3.518) 4.885 14.220 ( -1.213 1.402 -4.378) 4.755 14.339 ( 2.306 -3.780 1.663) 4.730 14.399 ( 1.954 -3.167 -1.273) 3.933 14.869 ( 0.352 4.858 0.734) 4.926 14.899 ( 0.326 3.250 -1.134) 3.458 15.090 ( 0.910 -1.775 4.513) 4.935 15.138 ( 3.167 -1.951 -5.033) 6.258 16.570 ( 0.605 0.391 0.262) 0.767 16.584 ( 0.313 0.108 -0.040) 0.334 16.648 ( 0.886 1.019 -0.171) 1.361 16.670 ( -0.012 0.574 -0.313) 0.654 16.730 ( 1.054 3.411 1.346) 3.816 16.797 ( -0.762 4.559 -0.687) 4.673 17.158 ( 0.060 -4.338 3.634) 5.659 17.252 ( -0.311 -4.276 -3.863) 5.771 22.866 ( 0.882 1.200 -0.694) 1.643 22.926 ( -2.170 0.241 -0.173) 2.190 23.222 ( 1.210 -1.353 -3.080) 3.575 23.254 ( -5.083 -2.306 5.352) 7.733 23.527 ( 3.332 3.757 0.976) 5.116 23.712 ( -0.070 6.108 2.707) 6.681 23.772 ( -3.081 -1.493 2.382) 4.171 23.809 ( 4.870 -1.250 5.348) 7.340 23.913 ( -1.878 -3.581 1.094) 4.189 24.042 ( -3.422 3.336 0.844) 4.853 24.133 ( 2.361 4.461 -3.886) 6.370 24.297 ( -6.447 -2.229 -3.432) 7.636 24.561 ( -5.741 2.189 5.107) 7.989 24.695 ( -1.933 -4.669 -2.740) 5.748 24.813 ( 6.855 -0.072 2.648) 7.349 25.096 ( -2.250 1.968 0.747) 3.081 25.500 ( 8.543 -3.864 0.232) 9.379 25.627 ( 4.144 -8.877 1.665) 9.938 25.936 ( -1.233 -0.926 -4.289) 4.557 26.010 ( 1.463 4.637 6.959) 8.490 26.032 ( -7.971 -4.080 -7.710) 11.817 26.227 ( 2.199 0.224 -11.001) 11.221 27.192 ( 3.972 6.013 5.270) 8.928 27.506 ( -6.394 -1.768 -2.290) 7.018 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.950 11.751 3.019) 12.170 1.587 ( -0.878 5.459 -4.690) 7.250 1.689 ( -2.215 -3.433 1.143) 4.243 1.821 ( 7.200 -4.908 -6.652) 10.963 1.927 ( 4.744 -3.310 -3.612) 6.820 2.042 ( -2.272 -3.121 -14.141) 14.659 2.122 ( 1.474 4.494 9.928) 10.997 2.242 ( -6.645 2.093 -2.735) 7.484 2.295 ( 2.749 0.196 3.469) 4.430 2.427 ( -3.130 -1.414 -5.341) 6.350 2.515 ( 6.308 -2.222 0.485) 6.705 2.658 ( 3.648 1.729 6.920) 8.011 2.674 ( 0.167 -1.527 -9.498) 9.621 2.791 ( -3.564 -7.608 2.962) 8.908 2.864 ( 0.409 2.507 -1.198) 2.809 2.942 ( 3.428 3.016 0.726) 4.623 2.974 ( 0.476 2.428 -2.089) 3.238 3.039 ( -3.514 -2.354 -6.825) 8.030 3.182 ( 3.767 3.533 0.766) 5.221 3.213 ( -3.366 2.511 1.639) 4.508 3.238 ( -2.532 1.796 -2.653) 4.084 3.294 ( 2.428 -1.525 -3.391) 4.441 3.407 ( 0.880 0.501 2.623) 2.812 3.471 ( 0.838 4.625 -3.649) 5.950 3.514 ( 1.574 2.883 5.242) 6.186 3.611 ( -1.415 3.537 -1.738) 4.187 3.626 ( -4.509 1.087 10.662) 11.627 3.773 ( 2.976 1.269 1.464) 3.551 3.817 ( 2.414 -4.693 -4.396) 6.868 3.844 ( -4.554 -0.431 -4.345) 6.309 3.913 ( -0.404 3.704 6.792) 7.747 4.056 ( -0.497 0.954 -4.300) 4.432 4.135 ( 3.065 0.380 1.373) 3.380 4.168 ( 1.996 1.521 -0.785) 2.630 4.324 ( -1.102 3.435 2.318) 4.288 4.374 ( -2.717 2.994 -1.693) 4.383 4.443 ( -0.570 -0.431 2.700) 2.793 4.467 ( -1.749 -2.620 1.361) 3.431 4.530 ( 5.753 -0.590 7.808) 9.717 4.606 ( -4.736 0.156 1.711) 5.038 4.664 ( 1.930 -0.671 -0.224) 2.056 4.678 ( 1.692 -1.603 0.068) 2.332 4.740 ( -2.368 0.311 2.714) 3.616 4.796 ( 1.669 -6.188 0.402) 6.422 4.892 ( -11.371 -1.222 5.868) 12.854 4.942 ( -0.701 -3.468 1.089) 3.702 5.039 ( 1.240 2.900 -0.619) 3.214 5.067 ( 1.079 -3.024 -1.358) 3.486 5.174 ( 0.418 -0.115 -0.029) 0.434 5.185 ( -4.100 -1.309 1.793) 4.663 5.218 ( 0.234 0.411 2.947) 2.984 5.241 ( 0.427 -0.536 -6.934) 6.968 5.332 ( -2.522 4.515 5.198) 7.333 5.362 ( -2.093 1.657 7.369) 7.837 5.385 ( 0.123 1.259 0.326) 1.306 5.468 ( 2.753 4.587 1.181) 5.479 5.536 ( 0.772 -2.082 0.490) 2.274 5.546 ( -1.053 1.604 -0.759) 2.063 5.594 ( 8.278 2.992 -4.802) 10.027 5.700 ( -1.709 1.812 -5.384) 5.932 5.727 ( 3.457 -2.195 0.806) 4.174 5.770 ( -1.047 -4.406 -1.697) 4.836 5.912 ( -6.199 -4.738 7.622) 10.908 5.990 ( 4.132 0.041 3.402) 5.353 6.040 ( -0.306 -0.997 -0.262) 1.075 6.103 ( -0.442 -2.026 -4.272) 4.749 6.117 ( 0.036 -4.470 -7.502) 8.733 6.170 ( 2.143 -2.542 -6.455) 7.261 6.259 ( 2.089 -2.674 1.890) 3.884 6.284 ( 1.342 1.166 3.382) 3.821 6.350 ( 0.684 -3.846 0.920) 4.014 6.375 ( -1.581 -0.832 1.487) 2.324 6.380 ( -0.129 -3.856 -0.980) 3.981 6.486 ( -4.263 1.921 -2.668) 5.383 6.598 ( 2.622 3.687 2.117) 4.995 6.699 ( -1.686 -0.686 -1.221) 2.192 6.762 ( 3.568 -0.446 -0.950) 3.719 6.789 ( -6.279 1.283 -1.345) 6.548 6.847 ( -0.841 0.164 -0.019) 0.857 6.936 ( 3.389 0.753 -6.702) 7.548 7.098 ( 0.094 4.869 0.192) 4.873 7.128 ( -0.478 5.875 -2.383) 6.358 7.350 ( -0.327 -2.017 1.820) 2.736 7.395 ( -1.262 -2.424 -2.339) 3.597 7.547 ( 1.064 0.626 8.276) 8.368 7.688 ( 0.234 -2.049 -5.012) 5.420 7.950 ( -1.596 0.649 -0.420) 1.774 7.962 ( 2.810 -0.412 -1.143) 3.061 8.167 ( -1.054 1.251 0.593) 1.740 8.184 ( 1.009 1.266 -1.358) 2.113 8.304 ( 0.646 -1.639 1.680) 2.435 8.334 ( 1.552 -0.855 -1.462) 2.298 8.429 ( -2.243 -1.559 2.684) 3.830 8.465 ( 1.180 -2.655 -0.809) 3.016 8.689 ( -0.173 1.653 5.562) 5.805 8.778 ( -3.673 0.536 -1.518) 4.010 8.813 ( -0.527 0.422 0.825) 1.066 8.846 ( 3.294 1.058 -1.520) 3.779 9.157 ( -1.090 -2.316 2.941) 3.899 9.196 ( -0.054 -3.386 -1.011) 3.534 9.949 ( -0.035 4.327 2.032) 4.781 10.046 ( 1.891 2.397 -7.127) 7.753 10.304 ( -0.830 -0.956 3.689) 3.900 10.395 ( 0.589 0.675 -4.232) 4.325 10.458 ( 0.902 2.782 -0.279) 2.938 10.489 ( 0.368 1.916 -1.841) 2.683 10.761 ( 1.584 -2.826 6.087) 6.896 10.857 ( -2.312 -3.003 -2.928) 4.789 11.020 ( 0.966 1.564 -0.028) 1.839 11.040 ( 0.035 0.716 -0.141) 0.730 11.094 ( -0.351 -5.055 -0.175) 5.070 11.107 ( 2.216 -2.650 -3.252) 4.744 11.286 ( 0.039 2.164 -0.316) 2.188 11.302 ( -1.496 0.829 -1.359) 2.185 11.414 ( -2.770 -3.482 4.283) 6.176 11.491 ( 2.835 -3.076 -2.171) 4.713 11.566 ( -1.045 -1.498 2.020) 2.723 11.587 ( 0.671 -2.562 -0.168) 2.654 11.693 ( 0.548 3.865 2.210) 4.486 11.717 ( -2.068 2.551 1.232) 3.507 11.747 ( 0.530 2.191 -0.906) 2.429 11.780 ( 1.106 2.403 -1.673) 3.130 11.944 ( -1.948 1.950 3.963) 4.828 12.003 ( -0.059 0.518 -1.502) 1.590 12.837 ( 0.515 0.652 3.044) 3.156 12.888 ( 2.053 -0.344 -1.061) 2.337 12.975 ( 2.365 1.602 1.633) 3.290 13.040 ( -4.316 0.228 -3.419) 5.511 14.081 ( 1.655 2.521 4.873) 5.731 14.180 ( -2.358 2.216 -4.660) 5.673 14.369 ( 0.388 -3.671 2.312) 4.355 14.411 ( -0.490 -3.494 -1.724) 3.927 14.876 ( 0.204 4.871 0.975) 4.972 14.899 ( -0.243 3.211 -1.218) 3.443 15.090 ( -1.410 -1.609 3.921) 4.467 15.179 ( 1.725 -2.803 -4.706) 5.743 16.577 ( 0.038 0.450 0.581) 0.736 16.583 ( -0.402 0.241 0.171) 0.499 16.663 ( 0.341 0.846 -0.291) 0.957 16.666 ( -0.040 1.069 -0.613) 1.233 16.755 ( 1.036 2.861 1.237) 3.284 16.780 ( -0.674 4.259 -1.253) 4.491 17.164 ( 0.046 -4.032 3.701) 5.473 17.242 ( -0.232 -4.451 -3.715) 5.802 22.879 ( -0.468 -0.110 0.312) 0.573 22.906 ( 1.008 0.683 -2.260) 2.567 23.189 ( -1.513 -1.007 2.044) 2.735 23.271 ( 4.583 -1.942 -5.683) 7.554 23.580 ( -3.258 5.769 5.285) 8.476 23.656 ( 3.529 7.065 -1.715) 8.081 23.795 ( -1.856 -4.208 6.946) 8.331 23.891 ( 1.101 -1.804 -0.482) 2.168 23.903 ( 2.542 -0.642 5.499) 6.092 23.982 ( -2.243 0.995 -0.145) 2.458 24.146 ( -1.091 -0.359 -0.297) 1.186 24.220 ( -0.477 0.733 -5.199) 5.272 24.496 ( -0.853 2.405 6.287) 6.785 24.647 ( -0.017 -1.727 -6.784) 7.000 24.967 ( 6.978 -1.327 5.194) 8.799 25.035 ( -4.057 1.288 -1.443) 4.495 25.637 ( 1.756 -7.628 1.035) 7.896 25.668 ( 2.797 -5.228 -1.227) 6.054 25.856 ( -4.511 -1.253 -0.212) 4.687 25.915 ( -3.381 -7.069 -5.897) 9.807 26.052 ( 1.120 6.452 6.020) 8.895 26.241 ( 0.891 2.551 -12.337) 12.629 27.289 ( 4.575 2.993 7.151) 9.001 27.378 ( -6.300 0.978 -1.336) 6.514 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -7.106 14.904 4.884) 17.218 1.552 ( -6.778 -1.746 -3.029) 7.627 1.586 ( -2.678 7.614 -6.822) 10.568 1.834 ( -5.098 0.870 -3.298) 6.134 1.944 ( -0.528 -4.753 -9.641) 10.762 2.061 ( 4.458 -3.406 -6.935) 8.921 2.131 ( 1.635 -3.070 -0.282) 3.490 2.178 ( -2.401 4.219 5.149) 7.077 2.368 ( 1.201 -1.778 0.433) 2.189 2.461 ( 5.606 -0.663 0.369) 5.657 2.553 ( -5.256 -2.141 -8.111) 9.899 2.681 ( 0.537 -2.914 -2.075) 3.617 2.698 ( 8.126 1.441 0.328) 8.260 2.737 ( -1.165 0.460 3.755) 3.958 2.900 ( 0.956 3.905 -0.737) 4.087 2.917 ( -2.449 -5.612 -7.380) 9.590 3.015 ( 2.608 5.791 -0.911) 6.416 3.062 ( 2.931 -7.203 4.106) 8.794 3.160 ( -1.870 5.951 -6.069) 8.703 3.181 ( -1.580 -0.281 0.146) 1.612 3.262 ( 1.545 2.537 2.467) 3.861 3.347 ( 0.589 -1.340 -3.794) 4.066 3.441 ( 0.415 -1.708 -0.825) 1.941 3.459 ( 1.334 -0.145 1.964) 2.379 3.524 ( -1.181 0.747 4.917) 5.112 3.613 ( 0.238 3.868 -2.633) 4.685 3.634 ( 6.643 7.248 3.007) 10.281 3.742 ( -3.540 2.082 0.741) 4.173 3.793 ( -2.792 0.487 4.318) 5.165 3.897 ( 3.546 1.196 5.333) 6.515 3.931 ( 1.370 -4.975 2.253) 5.631 4.036 ( -3.086 2.669 -4.727) 6.245 4.101 ( -6.964 -4.050 0.124) 8.057 4.113 ( -5.375 5.968 1.127) 8.110 4.244 ( 1.577 1.249 -5.117) 5.498 4.360 ( -4.347 5.027 3.470) 7.497 4.400 ( -3.908 -3.076 2.821) 5.718 4.411 ( -5.071 -0.675 2.910) 5.886 4.474 ( -6.707 0.026 -2.322) 7.098 4.564 ( -6.542 0.428 6.056) 8.924 4.585 ( -6.110 -0.806 -3.541) 7.107 4.694 ( -3.766 -1.127 1.783) 4.317 4.701 ( 1.269 5.030 3.588) 6.308 4.714 ( -2.739 1.455 3.719) 4.843 4.825 ( 0.945 -1.101 1.420) 2.030 4.930 ( -9.193 1.321 8.026) 12.275 4.980 ( 1.671 -4.804 1.847) 5.411 5.022 ( -6.113 2.000 0.514) 6.452 5.111 ( -2.462 -0.441 -2.101) 3.267 5.131 ( 2.342 -4.591 -2.122) 5.574 5.222 ( -0.864 -1.544 -2.058) 2.714 5.244 ( -1.728 -2.958 2.296) 4.124 5.321 ( -4.430 -2.407 4.112) 6.506 5.383 ( 3.004 1.735 6.432) 7.308 5.433 ( -3.117 -0.192 -1.693) 3.553 5.497 ( -0.380 0.796 -5.181) 5.256 5.513 ( 4.159 1.792 -6.097) 7.595 5.582 ( 2.067 3.695 3.121) 5.260 5.635 ( 2.246 -0.714 3.350) 4.096 5.708 ( 0.329 1.392 -4.620) 4.836 5.763 ( -4.837 -7.110 6.524) 10.794 5.857 ( -0.822 -2.894 -1.794) 3.503 5.900 ( 10.450 1.621 -3.136) 11.030 5.942 ( 0.733 -1.081 -0.732) 1.497 6.051 ( -1.018 0.910 0.956) 1.667 6.058 ( -0.579 -7.570 2.470) 7.984 6.127 ( 2.045 -1.752 -7.407) 7.882 6.186 ( -1.881 -0.451 0.654) 2.042 6.277 ( 1.601 0.904 0.374) 1.876 6.317 ( 2.462 -2.129 -5.374) 6.283 6.360 ( 0.702 -2.801 -0.867) 3.015 6.405 ( 3.716 -0.851 -1.390) 4.058 6.421 ( 3.647 -0.403 1.037) 3.813 6.479 ( -0.017 0.931 3.081) 3.218 6.628 ( -4.592 2.936 1.135) 5.567 6.674 ( 4.751 -2.180 -3.602) 6.348 6.704 ( 2.052 3.491 0.138) 4.052 6.809 ( 2.377 -0.522 3.617) 4.360 6.912 ( 3.807 1.786 -0.621) 4.251 7.041 ( 3.127 -0.232 -4.798) 5.732 7.097 ( 4.868 4.064 1.688) 6.562 7.186 ( 3.251 5.150 -2.314) 6.515 7.347 ( 0.440 -2.716 1.192) 2.999 7.410 ( 2.427 1.892 0.337) 3.096 7.572 ( 0.311 0.392 6.478) 6.497 7.681 ( -0.523 -1.969 -6.023) 6.358 7.936 ( 0.648 0.301 -1.548) 1.705 8.004 ( 1.514 -2.924 -0.556) 3.339 8.144 ( -0.941 1.246 -0.982) 1.845 8.213 ( 2.294 0.109 -1.765) 2.897 8.309 ( -1.607 -2.815 2.650) 4.187 8.358 ( -2.437 -0.831 0.255) 2.587 8.415 ( 4.671 -1.335 -1.601) 5.114 8.487 ( 0.701 -1.439 0.774) 1.778 8.646 ( -3.394 1.631 4.657) 5.989 8.694 ( -4.511 1.568 0.813) 4.845 8.824 ( 0.500 1.315 0.472) 1.484 8.897 ( 1.995 0.475 -1.971) 2.845 9.131 ( -1.879 -2.786 3.972) 5.203 9.205 ( 1.131 -3.426 -0.801) 3.696 9.960 ( 1.021 5.196 0.303) 5.304 10.069 ( 1.230 3.542 -6.816) 7.779 10.288 ( -1.039 -1.635 3.010) 3.580 10.375 ( -2.114 0.809 -0.912) 2.440 10.487 ( 1.510 -0.349 -2.471) 2.917 10.498 ( 2.225 2.167 -4.551) 5.510 10.783 ( 0.019 -3.629 5.762) 6.810 10.815 ( -1.501 -1.438 -3.602) 4.159 11.030 ( 0.176 1.479 0.602) 1.607 11.058 ( 2.209 0.718 -0.983) 2.522 11.086 ( 0.053 -5.485 -1.137) 5.601 11.184 ( 4.305 -3.466 -2.757) 6.176 11.261 ( -1.665 1.718 1.291) 2.718 11.290 ( -0.065 0.757 -0.535) 0.929 11.378 ( -1.388 -3.306 2.187) 4.200 11.542 ( 2.067 -1.979 1.157) 3.086 11.567 ( 1.455 1.085 -2.860) 3.388 11.593 ( -0.545 -3.266 4.105) 5.273 11.671 ( -2.409 2.832 1.553) 4.029 11.703 ( 0.940 2.667 0.456) 2.865 11.773 ( 1.352 2.079 -1.888) 3.117 11.804 ( 1.335 1.959 -0.416) 2.407 11.905 ( -2.106 1.909 4.258) 5.119 11.991 ( -0.903 0.861 0.060) 1.250 12.843 ( -0.012 1.256 1.841) 2.228 12.910 ( 0.815 0.801 -4.305) 4.455 12.995 ( -0.270 1.194 -3.809) 4.001 13.070 ( 6.860 -1.585 5.784) 9.112 14.107 ( -1.168 1.885 1.467) 2.659 14.126 ( -1.180 2.692 -0.054) 2.940 14.355 ( -2.207 -3.452 1.444) 4.344 14.380 ( -2.310 -3.291 -0.856) 4.111 14.876 ( -0.381 4.710 0.904) 4.811 14.889 ( -0.544 2.937 -1.016) 3.155 15.050 ( -3.059 -0.859 3.552) 4.766 15.191 ( -0.009 -3.179 -5.145) 6.048 16.570 ( -0.876 0.354 0.388) 1.022 16.575 ( -0.418 0.409 0.551) 0.803 16.655 ( -0.525 0.887 -0.620) 1.203 16.670 ( -0.147 0.287 -0.236) 0.400 16.757 ( -0.263 4.719 -1.123) 4.858 16.784 ( 0.737 3.141 0.524) 3.268 17.168 ( -0.182 -3.610 4.090) 5.458 17.236 ( 0.096 -4.593 -3.740) 5.924 22.868 ( -0.063 -0.002 -1.009) 1.011 22.938 ( 1.980 -0.478 -0.851) 2.208 23.200 ( 2.191 0.101 -1.065) 2.439 23.383 ( 7.201 -3.069 -6.961) 10.475 23.507 ( -2.090 5.260 2.467) 6.174 23.708 ( -5.866 -1.945 4.340) 7.551 23.779 ( 5.562 5.043 1.468) 7.650 23.872 ( -2.450 2.009 0.530) 3.212 23.908 ( -0.815 -4.617 2.003) 5.098 24.004 ( 2.396 2.650 1.936) 4.063 24.120 ( -0.761 0.958 -0.915) 1.528 24.259 ( 4.886 -0.969 -1.198) 5.123 24.554 ( 5.588 1.152 7.089) 9.099 24.691 ( 4.441 0.556 -5.674) 7.227 24.920 ( -7.086 0.987 -4.514) 8.459 25.091 ( 4.954 -2.446 1.953) 5.860 25.529 ( -8.425 -4.110 -3.358) 9.957 25.715 ( -2.990 -12.199 -5.720) 13.801 25.843 ( 1.969 -2.569 3.148) 4.516 25.878 ( 1.306 -2.699 6.492) 7.151 26.050 ( -1.855 5.888 3.437) 7.066 26.234 ( -0.040 3.480 -12.094) 12.585 27.253 ( -5.002 3.509 -0.262) 6.115 27.393 ( 4.122 0.784 7.973) 9.009 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -10.570 20.121 6.588) 23.664 1.429 ( -2.753 4.686 3.967) 6.729 1.581 ( 1.839 0.715 -11.299) 11.470 1.696 ( -4.507 0.840 -1.553) 4.841 1.917 ( -5.432 5.523 -13.119) 15.236 2.080 ( -0.064 -4.424 -8.563) 9.638 2.140 ( 0.929 -2.849 4.572) 5.466 2.186 ( -1.858 -4.288 -0.695) 4.725 2.352 ( -0.271 -4.521 -2.972) 5.417 2.420 ( -3.265 0.577 8.683) 9.295 2.610 ( 3.535 3.405 -8.452) 9.773 2.660 ( -2.382 -2.943 8.096) 8.938 2.724 ( 3.788 -3.705 0.165) 5.301 2.836 ( -8.865 2.586 5.266) 10.630 2.864 ( -3.243 4.900 -9.349) 11.042 2.930 ( 4.008 -3.493 2.507) 5.878 2.990 ( -1.042 -0.622 2.574) 2.846 3.053 ( -4.034 -0.318 7.762) 8.754 3.117 ( 0.142 -0.896 -3.684) 3.794 3.177 ( 0.948 -0.410 -1.759) 2.040 3.287 ( 4.684 4.159 -1.531) 6.449 3.341 ( 1.029 -2.890 -4.674) 5.591 3.461 ( -1.371 1.800 -5.501) 5.948 3.506 ( -0.303 1.746 1.598) 2.386 3.561 ( 2.703 2.399 -0.383) 3.634 3.578 ( 5.672 0.520 0.930) 5.772 3.641 ( -1.398 1.187 4.964) 5.292 3.683 ( -5.757 -2.233 8.462) 10.476 3.847 ( -1.985 1.589 1.586) 2.997 3.862 ( -5.941 -0.673 -7.988) 9.977 3.904 ( -2.863 0.184 5.392) 6.108 3.956 ( -2.816 -6.635 -5.199) 8.887 4.085 ( 2.909 4.848 8.278) 10.024 4.110 ( 1.697 7.025 -8.411) 11.090 4.155 ( -10.712 1.884 -0.295) 10.880 4.251 ( -1.053 2.372 1.279) 2.893 4.270 ( -6.673 -1.042 1.277) 6.874 4.324 ( -5.686 -3.215 -2.494) 6.992 4.393 ( 0.572 2.880 -5.954) 6.639 4.470 ( -3.251 3.194 1.897) 4.937 4.522 ( 1.764 3.130 0.676) 3.656 4.581 ( -6.415 4.177 2.808) 8.154 4.652 ( -5.754 2.801 3.447) 7.269 4.730 ( -0.280 1.243 0.524) 1.378 4.830 ( -0.743 2.036 -0.502) 2.225 4.882 ( -0.131 -2.132 5.440) 5.844 4.919 ( -2.094 -0.394 3.988) 4.522 4.991 ( -1.790 -1.229 1.146) 2.455 5.088 ( 0.066 -0.584 2.735) 2.797 5.162 ( -0.039 -1.222 -2.923) 3.169 5.185 ( -2.323 -3.905 -1.518) 4.791 5.197 ( -2.004 -5.108 2.108) 5.878 5.232 ( -2.676 -4.410 4.795) 7.043 5.341 ( -7.390 -0.065 -2.744) 7.883 5.394 ( 0.539 -0.349 -0.991) 1.181 5.498 ( 3.353 -1.495 2.430) 4.402 5.555 ( -0.030 3.593 -3.486) 5.007 5.590 ( -1.084 -1.660 0.709) 2.105 5.677 ( 1.423 -0.640 3.934) 4.232 5.709 ( -0.903 -7.763 2.644) 8.250 5.781 ( 2.730 0.598 -1.750) 3.297 5.815 ( -0.438 -3.590 2.250) 4.259 5.922 ( -2.534 -3.617 -0.509) 4.446 5.989 ( -2.401 0.071 -3.006) 3.848 6.094 ( 6.162 2.904 -4.584) 8.211 6.109 ( 2.761 -4.378 -3.224) 6.098 6.154 ( 0.828 0.113 1.121) 1.399 6.196 ( 6.581 -0.175 0.976) 6.655 6.293 ( 0.277 -2.805 -0.454) 2.855 6.365 ( -0.194 0.521 1.271) 1.388 6.416 ( 5.524 0.237 -5.490) 7.792 6.461 ( 0.969 0.874 -0.021) 1.305 6.489 ( 5.239 -1.912 -3.020) 6.342 6.509 ( 3.030 1.549 2.094) 3.995 6.590 ( 0.279 5.399 -0.103) 5.407 6.745 ( 3.119 2.706 1.802) 4.506 6.787 ( 4.307 -0.877 -1.477) 4.637 6.881 ( 3.167 0.541 4.967) 5.916 6.956 ( 1.487 1.558 -0.376) 2.186 7.047 ( -0.170 1.088 -0.338) 1.152 7.196 ( 0.372 2.103 1.195) 2.447 7.251 ( 6.085 1.937 -0.519) 6.407 7.374 ( 1.333 -1.252 1.443) 2.329 7.472 ( 3.697 5.826 -0.269) 6.905 7.575 ( -0.449 0.741 5.467) 5.535 7.653 ( -0.910 -2.518 -5.385) 6.014 7.959 ( 0.714 -1.430 -0.978) 1.874 8.020 ( -0.560 -3.620 0.601) 3.712 8.117 ( -0.977 -2.703 -3.300) 4.376 8.244 ( -1.989 -5.508 2.355) 6.312 8.267 ( -0.605 0.258 0.697) 0.958 8.324 ( 0.632 4.437 -2.643) 5.203 8.470 ( -1.107 -1.912 1.877) 2.899 8.516 ( 2.852 0.007 0.880) 2.985 8.618 ( -2.044 1.544 4.346) 5.045 8.623 ( -0.285 2.331 -1.810) 2.965 8.826 ( 0.026 0.643 0.612) 0.888 8.914 ( 0.072 -0.015 -2.108) 2.109 9.105 ( -1.032 -2.998 4.789) 5.743 9.229 ( 1.187 -3.706 -1.510) 4.174 9.985 ( 1.332 6.091 0.144) 6.237 10.073 ( 0.159 5.004 -5.731) 7.610 10.272 ( -1.315 -0.993 3.947) 4.277 10.331 ( -1.707 0.312 -2.626) 3.148 10.519 ( 2.744 -2.676 -0.078) 3.833 10.567 ( 5.186 -1.549 -8.717) 10.261 10.773 ( -1.572 -3.036 3.851) 5.150 10.804 ( 0.880 -1.637 -4.150) 4.547 11.033 ( 0.023 0.625 0.873) 1.074 11.071 ( -1.457 -5.315 0.102) 5.512 11.112 ( 2.301 -2.452 -0.268) 3.373 11.212 ( -1.971 -1.006 2.447) 3.299 11.253 ( 1.727 0.874 -1.490) 2.443 11.313 ( 1.871 -0.113 -1.003) 2.126 11.378 ( 2.381 -0.855 -0.107) 2.532 11.555 ( -2.665 0.978 3.460) 4.475 11.576 ( 1.282 0.207 0.325) 1.338 11.603 ( 0.680 0.332 1.421) 1.610 11.647 ( 0.011 0.778 0.347) 0.852 11.726 ( 0.060 1.281 1.021) 1.639 11.774 ( 0.214 3.230 -0.125) 3.240 11.840 ( 2.480 1.102 -1.367) 3.038 11.891 ( 0.190 1.454 2.321) 2.745 11.976 ( -0.546 0.908 0.505) 1.174 12.846 ( -0.026 2.494 2.060) 3.235 12.935 ( 2.808 1.309 -5.661) 6.453 12.995 ( 0.656 1.140 -5.185) 5.349 13.230 ( 7.864 -5.852 7.262) 12.200 14.036 ( -4.013 2.377 -2.661) 5.370 14.136 ( -0.140 1.618 5.541) 5.774 14.292 ( -3.979 -3.461 -0.150) 5.276 14.325 ( -3.456 -2.454 0.592) 4.280 14.869 ( -0.223 4.372 0.589) 4.417 14.878 ( -0.427 2.430 -0.341) 2.491 14.989 ( -3.519 0.641 2.996) 4.665 15.161 ( -2.411 -2.928 -6.362) 7.407 16.554 ( -0.809 0.408 0.321) 0.961 16.566 ( -0.508 0.207 0.304) 0.627 16.644 ( -0.499 0.634 -0.634) 1.026 16.657 ( -1.027 0.052 0.102) 1.033 16.760 ( 0.686 5.249 -1.889) 5.620 16.794 ( 0.131 3.691 1.096) 3.853 17.168 ( -0.318 -3.420 4.689) 5.812 17.237 ( 0.555 -4.588 -3.884) 6.036 22.879 ( 1.422 0.556 -1.581) 2.198 22.976 ( 1.928 -0.120 0.786) 2.086 23.247 ( 2.318 -0.440 -2.248) 3.259 23.438 ( 1.007 1.953 -3.088) 3.790 23.569 ( -1.809 -4.229 0.786) 4.666 23.630 ( 5.469 -1.854 -1.788) 6.046 23.767 ( -2.005 2.385 0.915) 3.248 23.860 ( -2.216 -1.415 3.544) 4.413 23.985 ( 7.680 0.730 -2.670) 8.164 24.041 ( 2.144 6.309 2.267) 7.039 24.142 ( 3.491 2.175 -0.923) 4.215 24.380 ( 6.681 -0.811 2.558) 7.200 24.684 ( 2.530 1.832 5.014) 5.907 24.736 ( -3.387 -0.512 -5.216) 6.240 24.778 ( -0.440 0.498 -7.756) 7.785 25.168 ( 3.143 -2.154 -1.143) 3.978 25.356 ( -8.692 -3.091 -2.807) 9.642 25.556 ( -10.855 -13.413 -4.988) 17.962 25.885 ( 1.717 -0.227 4.353) 4.685 25.940 ( 0.824 -0.117 10.350) 10.383 26.016 ( -0.519 2.970 3.243) 4.428 26.204 ( -1.735 1.342 -10.327) 10.558 27.207 ( 1.237 5.523 -0.627) 5.694 27.469 ( 2.304 -0.786 9.339) 9.651 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -5.867 18.948 11.034) 22.698 1.436 ( 0.848 8.218 17.328) 19.197 1.562 ( -3.162 2.576 -13.805) 14.395 1.745 ( 4.187 3.911 -5.910) 8.231 1.811 ( 4.221 4.901 -15.754) 17.030 2.004 ( -13.134 -2.893 10.672) 17.169 2.024 ( -5.126 -2.091 -6.091) 8.231 2.195 ( 4.013 -6.666 5.326) 9.429 2.356 ( 1.466 -1.226 6.625) 6.895 2.393 ( -15.214 -0.647 7.737) 17.081 2.512 ( -12.759 0.667 2.428) 13.005 2.546 ( 3.896 -3.518 1.693) 5.515 2.683 ( -0.717 6.782 -1.561) 6.996 2.807 ( 3.216 -3.684 -2.676) 5.575 2.848 ( 1.961 -2.594 -1.950) 3.791 2.953 ( -1.454 -5.067 3.083) 6.107 3.006 ( 3.350 0.007 -1.066) 3.516 3.064 ( 0.640 -3.867 -3.611) 5.329 3.197 ( 6.530 4.892 1.256) 8.256 3.209 ( 1.584 -1.474 -1.966) 2.924 3.313 ( -3.972 0.495 1.226) 4.186 3.351 ( -6.558 4.300 3.233) 8.483 3.397 ( 3.264 4.177 -4.757) 7.123 3.498 ( -0.906 -0.703 -8.039) 8.120 3.575 ( -3.846 -4.291 -4.013) 7.022 3.604 ( -2.393 0.540 3.649) 4.397 3.637 ( 0.074 0.643 -1.230) 1.390 3.667 ( -0.685 2.764 -3.314) 4.369 3.669 ( -2.965 -0.608 2.026) 3.642 3.781 ( -9.049 -0.058 5.568) 10.625 3.880 ( 2.033 -1.120 1.101) 2.569 3.932 ( -0.355 1.225 3.803) 4.011 3.957 ( -1.043 -4.105 -0.877) 4.326 4.092 ( -2.415 3.584 -2.243) 4.869 4.166 ( -3.262 5.712 -0.085) 6.578 4.192 ( 1.527 3.003 -4.938) 5.978 4.240 ( 0.075 -0.435 -2.213) 2.256 4.265 ( -0.197 4.089 -1.891) 4.509 4.411 ( -0.615 1.537 -2.834) 3.282 4.420 ( -3.462 1.800 2.461) 4.613 4.513 ( 0.719 3.538 -0.022) 3.610 4.585 ( -0.135 -1.192 -2.263) 2.562 4.651 ( 5.375 3.948 1.070) 6.754 4.692 ( -4.077 0.988 -2.382) 4.824 4.715 ( -0.259 4.077 0.041) 4.086 4.905 ( -6.148 -4.003 0.367) 7.346 4.922 ( -1.328 0.348 5.875) 6.033 4.948 ( 3.789 -3.542 3.390) 6.196 5.064 ( -5.706 -1.738 -1.118) 6.069 5.111 ( -0.060 -2.228 0.085) 2.230 5.164 ( 2.367 0.946 3.094) 4.009 5.235 ( 3.338 0.313 -0.765) 3.439 5.252 ( 1.697 -3.229 2.685) 4.529 5.289 ( 2.364 -0.535 -1.251) 2.728 5.411 ( -0.538 0.155 0.638) 0.849 5.504 ( -2.940 -1.096 0.474) 3.173 5.536 ( 0.424 -0.483 -0.052) 0.645 5.591 ( 0.975 -6.576 1.351) 6.784 5.645 ( -2.859 -5.099 1.759) 6.105 5.738 ( -1.598 0.399 1.650) 2.331 5.757 ( -0.572 -1.814 -0.776) 2.055 5.830 ( -0.174 -1.863 3.923) 4.347 5.876 ( 1.874 -0.427 -3.908) 4.355 6.028 ( 5.130 -2.526 -2.618) 6.289 6.087 ( -2.576 -2.755 -3.054) 4.853 6.204 ( 1.551 2.402 0.279) 2.873 6.215 ( 3.594 -3.947 -1.414) 5.522 6.287 ( 1.068 1.863 -0.676) 2.251 6.316 ( 5.239 0.867 -2.364) 5.813 6.389 ( 2.037 1.669 0.151) 2.638 6.459 ( 0.045 0.390 0.325) 0.509 6.503 ( -0.704 1.254 1.816) 2.316 6.527 ( 3.550 0.582 -2.603) 4.440 6.582 ( 3.091 1.388 1.285) 3.624 6.604 ( 0.535 2.665 0.904) 2.865 6.761 ( -2.412 2.465 0.368) 3.468 6.866 ( 2.261 0.445 0.143) 2.309 6.923 ( 4.862 1.772 0.074) 5.175 6.971 ( -2.318 0.012 -0.493) 2.370 7.059 ( 0.282 -2.324 2.795) 3.646 7.184 ( 0.879 2.851 0.696) 3.064 7.344 ( 2.721 0.680 -0.431) 2.838 7.376 ( -1.311 1.324 3.045) 3.570 7.503 ( -0.586 0.434 -3.027) 3.114 7.591 ( 1.598 2.536 6.166) 6.856 7.692 ( 6.122 -1.508 -0.451) 6.321 7.910 ( -5.506 -1.397 2.072) 6.047 7.978 ( -3.086 -0.132 -4.092) 5.127 8.129 ( 0.967 -5.495 -2.009) 5.930 8.180 ( -2.316 -4.340 3.303) 5.925 8.275 ( 0.938 0.876 0.784) 1.504 8.364 ( 1.830 2.964 -3.965) 5.277 8.444 ( -0.421 2.268 2.820) 3.644 8.529 ( -1.702 1.648 2.132) 3.187 8.597 ( 0.744 -0.115 0.197) 0.778 8.648 ( 1.184 0.903 -1.009) 1.799 8.833 ( 0.599 -0.933 0.031) 1.109 8.897 ( -1.384 -0.648 -1.953) 2.480 9.114 ( 1.316 -3.099 4.705) 5.786 9.239 ( 0.051 -3.896 -2.221) 4.485 10.002 ( 0.139 6.461 1.575) 6.652 10.070 ( 0.355 5.747 -5.223) 7.774 10.244 ( -1.890 0.207 4.966) 5.318 10.313 ( 0.253 0.189 -4.939) 4.949 10.578 ( 2.114 -6.053 3.347) 7.233 10.657 ( 4.362 -5.064 -7.633) 10.145 10.751 ( -1.211 -2.975 3.857) 5.019 10.822 ( 1.259 -2.866 -5.175) 6.049 11.027 ( -0.521 -1.504 1.184) 1.984 11.047 ( -0.445 -1.076 0.011) 1.164 11.125 ( -0.554 -4.900 0.570) 4.964 11.165 ( -2.327 -4.673 0.142) 5.222 11.310 ( 3.121 3.985 0.462) 5.082 11.339 ( 1.737 1.058 -2.105) 2.927 11.461 ( 4.719 0.289 -1.393) 4.929 11.503 ( -2.789 1.893 4.308) 5.470 11.591 ( 0.225 0.060 0.671) 0.710 11.606 ( -0.212 2.676 0.852) 2.816 11.658 ( 0.404 0.049 0.845) 0.938 11.697 ( -1.414 1.461 0.054) 2.034 11.804 ( 1.799 2.956 1.201) 3.663 11.876 ( 0.757 1.774 -0.113) 1.932 11.921 ( 2.703 0.506 -0.411) 2.781 11.969 ( -0.327 0.159 -0.274) 0.455 12.844 ( -0.686 3.133 3.792) 4.967 12.967 ( 0.352 1.904 -7.131) 7.390 13.052 ( 7.231 -0.188 -5.427) 9.043 13.313 ( -2.782 -10.419 5.240) 11.990 13.996 ( 1.827 1.858 0.026) 2.606 14.121 ( -2.235 0.726 5.132) 5.644 14.222 ( -2.809 -2.934 -0.072) 4.063 14.255 ( -3.521 -2.201 0.046) 4.152 14.873 ( 0.343 2.956 1.052) 3.156 14.877 ( 0.774 2.753 0.075) 2.861 14.932 ( -2.467 2.651 1.507) 3.922 15.081 ( -4.937 -0.807 -6.830) 8.466 16.543 ( -0.257 0.339 0.243) 0.490 16.557 ( -0.451 0.016 -0.104) 0.464 16.634 ( -0.543 0.297 0.060) 0.621 16.639 ( -0.597 0.321 -0.306) 0.744 16.775 ( 0.972 5.231 -1.482) 5.523 16.790 ( -0.738 4.642 1.079) 4.822 17.168 ( -0.329 -3.653 5.112) 6.291 17.247 ( 0.900 -4.531 -4.069) 6.156 22.919 ( 2.957 1.722 -1.616) 3.784 22.998 ( -0.507 3.096 1.989) 3.715 23.281 ( 2.230 -4.203 -1.158) 4.897 23.449 ( -6.475 -4.455 2.660) 8.298 23.487 ( 2.888 1.904 -0.184) 3.464 23.713 ( -0.209 -1.236 -6.009) 6.138 23.816 ( 3.519 -1.173 1.436) 3.977 23.893 ( 7.956 -0.105 -1.124) 8.036 24.036 ( 1.188 1.254 0.614) 1.833 24.131 ( 2.848 1.191 -3.138) 4.402 24.269 ( 8.874 5.399 -0.583) 10.403 24.464 ( -4.411 5.086 -0.290) 6.738 24.485 ( -8.000 -0.373 -2.933) 8.529 24.729 ( -1.391 -1.497 -3.740) 4.262 24.826 ( 1.276 1.177 -0.453) 1.794 25.144 ( -7.950 -0.783 -6.380) 10.224 25.262 ( 1.640 -3.789 1.168) 4.290 25.381 ( -4.501 -10.561 2.892) 11.839 25.874 ( -2.626 2.210 3.268) 4.739 25.951 ( -1.253 0.158 9.507) 9.591 26.032 ( 1.409 2.254 1.417) 3.012 26.167 ( 0.040 -1.656 -7.281) 7.467 27.319 ( 9.956 2.819 -0.716) 10.372 27.491 ( -1.355 -0.735 8.423) 8.563 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -7.888 15.483 12.385) 21.338 1.571 ( -9.439 5.804 14.584) 18.315 1.625 ( -7.841 3.816 7.103) 11.247 1.712 ( 0.737 2.617 2.086) 3.427 1.781 ( -4.947 -9.017 3.003) 10.714 1.868 ( -7.533 -5.033 1.938) 9.265 2.090 ( 12.363 0.573 -15.029) 19.469 2.149 ( 15.224 -2.148 -12.560) 19.853 2.306 ( -0.510 7.719 7.410) 10.712 2.396 ( -1.524 7.120 0.866) 7.333 2.442 ( 5.056 1.858 -2.880) 6.108 2.487 ( -0.589 -7.849 3.572) 8.644 2.707 ( -2.918 -0.615 2.436) 3.850 2.741 ( -2.223 -1.621 -5.463) 6.117 2.799 ( 4.245 -7.604 0.182) 8.711 2.832 ( -0.059 -5.196 -0.613) 5.232 3.066 ( -2.826 -0.085 -0.119) 2.830 3.072 ( -0.769 -0.613 3.416) 3.555 3.213 ( 0.534 4.301 3.133) 5.348 3.250 ( 4.140 2.360 -1.449) 4.980 3.280 ( -3.686 -2.807 -2.406) 5.221 3.338 ( 2.132 -1.403 -3.440) 4.283 3.392 ( -4.677 4.177 3.542) 7.202 3.433 ( 0.775 0.591 2.611) 2.787 3.469 ( -6.516 -2.245 2.603) 7.367 3.492 ( -2.514 -3.586 1.936) 4.788 3.629 ( 3.534 1.789 -6.320) 7.459 3.655 ( 5.670 0.787 -8.216) 10.013 3.718 ( 0.354 4.072 3.716) 5.524 3.813 ( 0.745 -2.405 0.837) 2.653 3.866 ( -1.155 -2.827 -0.408) 3.081 3.887 ( -1.063 -3.700 -3.022) 4.894 4.130 ( 0.522 5.922 -1.217) 6.068 4.134 ( 0.195 2.892 2.866) 4.076 4.181 ( 1.390 4.249 -0.578) 4.508 4.215 ( -0.449 0.807 0.544) 1.072 4.343 ( -2.227 3.377 4.968) 6.407 4.377 ( -0.649 1.426 7.246) 7.413 4.414 ( 0.358 6.507 1.322) 6.650 4.496 ( 0.886 3.875 -2.719) 4.816 4.530 ( -0.113 0.775 -3.959) 4.036 4.583 ( -0.927 3.058 -2.669) 4.163 4.663 ( 3.664 2.161 0.739) 4.317 4.672 ( -6.333 1.614 1.646) 6.739 4.738 ( 2.632 -5.482 2.667) 6.641 4.844 ( -1.784 -3.594 -4.181) 5.795 4.894 ( 0.896 -2.872 -6.546) 7.204 4.919 ( 2.151 -5.161 -6.210) 8.356 5.024 ( 2.058 4.129 -1.289) 4.790 5.047 ( -0.019 0.643 -2.537) 2.617 5.153 ( 0.390 -4.637 -0.179) 4.657 5.159 ( -0.862 -7.654 0.760) 7.740 5.290 ( 1.407 -1.336 -3.844) 4.306 5.298 ( 4.309 -4.031 -6.141) 8.517 5.397 ( 2.847 3.065 6.144) 7.433 5.461 ( -1.326 -3.416 3.307) 4.936 5.485 ( -2.186 -0.309 2.787) 3.555 5.502 ( 3.500 -2.282 6.215) 7.489 5.630 ( 1.816 5.012 1.224) 5.470 5.712 ( -1.506 5.069 -5.934) 7.949 5.733 ( 1.171 -4.521 1.968) 5.068 5.824 ( -2.769 -4.992 -4.526) 7.285 5.929 ( -1.909 -1.483 1.385) 2.786 5.941 ( -0.394 -2.913 0.274) 2.953 6.159 ( 4.701 4.896 -2.032) 7.085 6.180 ( -4.586 3.002 -2.667) 6.096 6.274 ( -2.109 1.069 -0.081) 2.366 6.303 ( 1.441 -1.368 -1.050) 2.248 6.397 ( -0.199 1.050 0.529) 1.193 6.420 ( -0.504 -0.764 -1.872) 2.084 6.453 ( 0.069 0.460 -1.287) 1.369 6.475 ( 0.112 -1.384 -2.762) 3.092 6.595 ( 0.005 3.672 4.933) 6.149 6.618 ( -2.752 1.076 2.222) 3.697 6.708 ( 1.932 1.683 1.411) 2.925 6.764 ( 3.679 -0.608 -4.107) 5.547 6.866 ( -1.773 0.281 5.159) 5.463 6.892 ( -0.166 -2.774 4.400) 5.205 7.048 ( -1.297 3.037 -1.238) 3.527 7.069 ( 2.552 1.350 -2.907) 4.097 7.248 ( 2.629 -1.048 0.589) 2.891 7.255 ( -2.982 -1.954 0.220) 3.571 7.425 ( -0.859 0.665 0.714) 1.299 7.452 ( 0.353 -2.169 -1.087) 2.452 7.714 ( 0.227 3.153 7.474) 8.115 7.761 ( 2.394 -2.007 4.729) 5.667 7.871 ( -3.637 4.943 2.527) 6.637 7.932 ( -0.538 1.218 1.932) 2.346 8.023 ( -0.691 -2.963 -3.961) 4.995 8.080 ( 3.666 -6.410 -3.897) 8.349 8.306 ( -0.478 1.098 0.328) 1.241 8.340 ( -1.615 -1.919 -1.788) 3.080 8.519 ( -3.405 2.867 3.590) 5.718 8.567 ( -2.453 -1.343 3.754) 4.682 8.612 ( 4.156 3.671 -4.605) 7.208 8.669 ( 3.034 -1.316 -5.206) 6.168 8.838 ( 0.347 0.554 0.335) 0.734 8.854 ( -0.810 -0.576 -1.088) 1.474 9.100 ( 1.104 -0.617 1.575) 2.020 9.139 ( -0.318 -3.807 -2.162) 4.389 10.151 ( -1.527 6.907 3.112) 7.728 10.176 ( -0.975 3.109 1.036) 3.419 10.237 ( -0.453 1.014 1.606) 1.953 10.304 ( 0.295 -2.729 -4.005) 4.856 10.503 ( -1.129 -0.022 4.190) 4.339 10.557 ( -1.205 -4.791 2.422) 5.501 10.659 ( -0.306 -0.600 -1.287) 1.452 10.733 ( 0.083 -5.571 -4.922) 7.435 10.987 ( -2.967 -1.953 3.110) 4.721 11.001 ( -2.230 -2.411 1.005) 3.435 11.052 ( 2.966 -0.596 -3.605) 4.706 11.067 ( 3.888 -2.015 -3.842) 5.826 11.389 ( -3.000 2.357 2.655) 4.648 11.420 ( -3.202 0.366 2.062) 3.825 11.486 ( 2.307 2.358 -0.066) 3.300 11.533 ( 3.026 -1.123 -1.769) 3.680 11.620 ( -0.044 1.592 1.776) 2.385 11.645 ( -0.244 -0.848 1.654) 1.874 11.667 ( 0.691 2.061 -2.080) 3.008 11.699 ( 0.457 -0.778 -2.619) 2.770 11.880 ( -1.364 2.350 3.863) 4.723 11.916 ( -1.533 -0.703 4.016) 4.356 11.949 ( 1.354 2.039 -2.930) 3.818 11.983 ( 2.390 -0.792 -2.525) 3.565 12.890 ( -3.621 3.656 7.897) 9.425 12.971 ( -5.249 -3.319 6.716) 9.147 13.075 ( 0.590 2.369 -5.193) 5.738 13.150 ( 6.187 -3.924 -6.013) 9.478 14.084 ( -1.724 2.219 1.394) 3.137 14.099 ( 2.143 1.384 0.259) 2.564 14.146 ( 1.108 -2.884 -0.040) 3.090 14.151 ( -0.691 -2.846 -0.326) 2.947 14.911 ( 0.697 1.382 2.473) 2.918 14.931 ( 0.060 -0.271 1.770) 1.791 14.980 ( 0.610 2.482 -2.022) 3.259 15.013 ( -1.074 -0.279 -3.998) 4.149 16.548 ( 0.002 0.202 0.279) 0.345 16.550 ( -0.035 -0.022 0.055) 0.069 16.630 ( -0.160 0.237 0.256) 0.384 16.635 ( 0.043 -0.242 -0.248) 0.349 16.899 ( -1.258 7.064 2.473) 7.589 16.944 ( 0.985 7.384 -1.840) 7.673 17.059 ( -0.934 -5.288 3.661) 6.499 17.131 ( 0.899 -7.389 -3.195) 8.100 23.046 ( -3.425 4.179 1.149) 5.524 23.064 ( 3.390 3.129 -0.480) 4.639 23.215 ( -2.345 -3.486 3.915) 5.742 23.238 ( 0.189 -4.883 1.826) 5.217 23.550 ( -0.467 2.100 0.561) 2.224 23.606 ( -0.499 -3.338 -4.107) 5.316 23.952 ( 1.839 4.361 2.529) 5.366 24.020 ( 1.796 0.484 -3.169) 3.674 24.077 ( 0.790 -0.197 0.347) 0.885 24.115 ( -3.137 -0.992 -2.601) 4.194 24.350 ( -1.492 1.681 -1.956) 2.980 24.359 ( -4.154 0.836 -2.726) 5.039 24.647 ( -0.219 5.688 3.741) 6.812 24.714 ( 0.488 1.038 -2.334) 2.601 24.840 ( 3.757 -1.699 -0.209) 4.129 24.882 ( -4.183 -4.629 -4.401) 7.635 25.253 ( 0.792 -1.901 3.084) 3.708 25.261 ( 1.400 -2.346 2.331) 3.591 25.869 ( -0.281 1.269 0.340) 1.343 25.903 ( 0.154 -1.646 -2.010) 2.602 26.122 ( 0.718 2.264 3.018) 3.841 26.163 ( 2.695 -1.496 -0.840) 3.194 27.427 ( -1.667 2.110 2.657) 3.780 27.485 ( 3.204 -3.287 -2.765) 5.359 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -6.019 7.457 19.113) 21.380 1.385 ( -8.196 -2.856 20.571) 22.327 1.599 ( -0.991 4.045 7.988) 9.008 1.662 ( -2.476 -0.232 -1.641) 2.979 1.723 ( 4.139 6.851 -3.345) 8.675 1.886 ( 3.644 -5.235 -2.667) 6.914 2.200 ( -2.097 2.941 -3.012) 4.703 2.266 ( 3.929 -3.685 -5.373) 7.609 2.385 ( -0.927 5.564 0.320) 5.650 2.440 ( 2.285 -3.369 3.967) 5.684 2.481 ( -0.396 1.992 3.902) 4.399 2.611 ( 4.899 7.925 0.428) 9.327 2.645 ( -0.327 -8.781 -4.471) 9.859 2.772 ( 11.606 -2.147 -8.263) 14.408 2.812 ( 0.246 -2.196 -3.935) 4.513 2.900 ( 8.754 -4.249 -0.055) 9.730 3.034 ( 0.044 1.003 1.515) 1.817 3.117 ( 0.582 -3.715 3.991) 5.483 3.191 ( -0.126 3.659 -0.673) 3.722 3.230 ( -0.963 -0.770 0.781) 1.460 3.274 ( -1.422 5.980 1.556) 6.341 3.323 ( -4.603 1.154 1.078) 4.867 3.393 ( 3.752 1.034 -0.566) 3.933 3.422 ( -0.334 -2.767 -0.361) 2.810 3.467 ( 5.512 -1.212 0.123) 5.645 3.530 ( 1.922 -5.586 -2.268) 6.328 3.678 ( -0.444 5.761 4.804) 7.514 3.687 ( -1.167 4.708 -0.549) 4.882 3.773 ( 4.136 1.918 -4.008) 6.070 3.789 ( 1.237 -3.929 2.452) 4.794 3.868 ( 1.445 -4.176 0.739) 4.481 3.892 ( 6.475 -4.653 -4.696) 9.254 4.095 ( -2.786 4.935 2.171) 6.069 4.147 ( -2.415 0.726 -0.904) 2.678 4.187 ( 1.026 6.748 1.052) 6.906 4.227 ( -0.380 2.702 0.333) 2.749 4.309 ( -1.373 5.512 6.458) 8.601 4.360 ( -1.650 2.667 4.954) 5.863 4.429 ( 1.419 2.048 -2.121) 3.271 4.486 ( -2.536 0.236 2.083) 3.290 4.548 ( 1.531 5.919 -3.734) 7.164 4.611 ( 6.021 3.311 2.224) 7.222 4.698 ( 6.318 -1.478 -2.057) 6.807 4.746 ( 3.555 -0.838 -1.411) 3.916 4.777 ( 2.712 -8.167 1.740) 8.780 4.799 ( -0.692 -1.838 -5.554) 5.891 4.928 ( 0.872 -2.075 -3.966) 4.561 4.962 ( 1.108 -2.059 2.228) 3.230 5.018 ( -0.967 1.954 -3.078) 3.771 5.063 ( 1.209 0.770 -5.019) 5.220 5.140 ( -1.148 -5.231 -2.291) 5.825 5.177 ( 3.067 -4.321 -1.272) 5.450 5.263 ( -1.265 1.325 -6.870) 7.110 5.315 ( -0.460 -7.624 -5.754) 9.563 5.439 ( 0.331 2.345 3.460) 4.193 5.465 ( -0.365 -1.070 5.327) 5.445 5.514 ( 3.870 2.135 -0.683) 4.473 5.600 ( 5.084 -4.391 0.811) 6.766 5.625 ( -0.145 4.965 -0.523) 4.994 5.724 ( 1.564 0.023 -4.749) 5.000 5.740 ( -2.310 -5.553 -0.006) 6.014 5.765 ( 1.763 -2.271 -2.370) 3.726 5.889 ( -1.038 2.323 3.942) 4.692 5.963 ( 0.979 -4.040 3.776) 5.616 6.027 ( -7.937 3.597 -3.075) 9.241 6.087 ( -7.115 -1.831 -0.570) 7.369 6.232 ( -3.546 1.637 -0.470) 3.934 6.262 ( -4.431 -1.051 0.108) 4.555 6.370 ( -5.028 2.628 -0.068) 5.674 6.399 ( -2.611 -0.210 -1.150) 2.861 6.463 ( -1.512 2.410 0.221) 2.853 6.478 ( 2.180 0.511 -1.235) 2.557 6.549 ( -4.476 -0.788 1.473) 4.778 6.561 ( -3.135 -1.184 0.034) 3.351 6.756 ( -2.359 4.275 -0.223) 4.888 6.795 ( 1.110 0.243 0.313) 1.179 6.878 ( 3.965 3.738 6.876) 8.773 6.945 ( -1.880 0.679 0.185) 2.007 7.005 ( 1.915 0.087 -3.235) 3.760 7.075 ( -1.318 -3.672 -3.534) 5.264 7.228 ( 0.528 2.634 1.875) 3.276 7.292 ( 1.371 -3.125 0.302) 3.426 7.422 ( 0.469 1.422 1.572) 2.171 7.475 ( 1.653 -3.149 -0.116) 3.558 7.680 ( -3.882 5.458 4.130) 7.869 7.778 ( -4.500 2.795 -3.324) 6.254 7.830 ( 2.999 -2.949 4.706) 6.312 7.920 ( -1.344 -3.324 4.284) 5.587 8.024 ( 1.120 1.946 -4.288) 4.840 8.138 ( 2.224 -6.410 -1.675) 6.988 8.301 ( -1.804 -0.561 0.330) 1.917 8.307 ( 0.532 -0.834 2.040) 2.267 8.459 ( -3.211 2.440 1.890) 4.454 8.507 ( -4.060 -2.183 3.087) 5.548 8.681 ( 3.459 3.422 -4.828) 6.855 8.714 ( 2.200 0.057 -4.695) 5.185 8.847 ( 0.441 0.463 -0.023) 0.640 8.853 ( 0.619 -0.392 0.621) 0.961 9.117 ( 0.293 -1.640 0.333) 1.699 9.132 ( 0.137 -2.747 -2.033) 3.420 10.110 ( -2.948 5.318 3.952) 7.252 10.139 ( -2.970 2.099 2.967) 4.693 10.239 ( 0.703 1.788 1.396) 2.375 10.316 ( 1.554 -3.653 -3.374) 5.210 10.482 ( -1.175 2.069 2.975) 3.810 10.524 ( -2.138 -2.079 3.529) 4.620 10.659 ( 0.507 -0.314 -0.542) 0.805 10.731 ( 0.480 -5.361 -3.058) 6.191 10.950 ( -1.243 -1.864 2.134) 3.094 10.984 ( 0.285 -4.332 -1.256) 4.519 11.100 ( 1.798 1.712 -0.469) 2.527 11.147 ( 4.143 -2.755 -2.924) 5.770 11.330 ( -2.518 0.919 0.766) 2.788 11.339 ( -4.467 0.523 2.230) 5.020 11.505 ( -0.827 3.561 -1.495) 3.950 11.546 ( -0.979 0.493 1.687) 2.012 11.621 ( -0.653 -1.066 -1.076) 1.650 11.629 ( -1.591 -1.506 0.516) 2.251 11.676 ( 0.765 2.613 -1.307) 3.021 11.721 ( 1.842 -1.394 -1.188) 2.598 11.844 ( -2.573 2.731 2.730) 4.641 11.887 ( -1.856 -0.916 2.369) 3.145 11.967 ( 0.967 3.161 -2.431) 4.104 12.016 ( 1.301 -0.939 -2.558) 3.020 12.840 ( -2.161 2.171 7.381) 7.991 12.885 ( -3.694 -1.900 7.744) 8.788 13.085 ( 0.419 6.696 -5.665) 8.781 13.229 ( 1.888 -7.038 -4.401) 8.513 14.048 ( -0.410 3.985 0.609) 4.052 14.137 ( 1.311 -3.903 0.562) 4.156 14.192 ( 4.230 -0.752 -1.337) 4.500 14.205 ( 3.995 -1.528 -0.086) 4.278 14.926 ( 0.712 1.698 0.897) 2.048 14.957 ( 2.144 -0.978 2.366) 3.339 14.978 ( -0.368 2.905 -2.317) 3.734 15.019 ( 1.760 -0.392 -2.843) 3.366 16.551 ( 0.417 0.302 0.197) 0.552 16.556 ( 0.588 -0.142 0.132) 0.619 16.633 ( 0.472 0.419 0.246) 0.677 16.641 ( 0.616 -0.342 -0.139) 0.718 16.873 ( -1.568 7.400 2.404) 7.937 16.952 ( -0.022 6.387 -1.514) 6.564 17.047 ( -0.696 -4.874 3.342) 5.950 17.141 ( 0.437 -7.277 -2.969) 7.871 22.960 ( -4.022 3.921 0.308) 5.625 23.039 ( -4.366 -2.628 -0.353) 5.108 23.217 ( 1.688 2.168 3.391) 4.365 23.289 ( 0.740 -3.896 5.945) 7.147 23.556 ( 2.490 1.937 -2.209) 3.851 23.592 ( -0.707 -1.483 0.304) 1.671 23.852 ( -7.716 2.810 -0.437) 8.223 23.925 ( -7.667 -3.468 -3.430) 9.087 24.056 ( -0.964 5.060 1.439) 5.349 24.146 ( 1.074 -1.976 0.079) 2.250 24.354 ( -0.251 4.227 1.991) 4.679 24.411 ( 5.072 -1.459 1.889) 5.605 24.516 ( -5.151 5.062 1.428) 7.362 24.647 ( -4.747 -5.496 -2.128) 7.568 24.896 ( 1.518 4.740 -0.831) 5.046 25.033 ( 9.734 -5.680 -0.253) 11.273 25.216 ( -2.828 0.356 -0.121) 2.853 25.272 ( 1.796 -4.051 -0.654) 4.480 25.917 ( 4.560 2.294 1.239) 5.253 25.977 ( 6.324 -3.290 -1.027) 7.202 26.105 ( -2.597 3.699 -0.324) 4.531 26.180 ( -1.053 -3.173 -4.708) 5.774 27.375 ( -3.155 6.551 1.008) 7.341 27.519 ( 0.333 -7.127 -2.779) 7.657 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 5.693 0.996 11.131) 12.542 1.355 ( 3.325 -3.282 12.641) 13.477 1.616 ( 2.393 2.965 0.401) 3.832 1.663 ( 2.723 -1.807 -1.394) 3.553 1.854 ( 7.442 9.134 -1.622) 11.893 1.933 ( 2.550 1.386 3.536) 4.574 2.205 ( -0.362 -0.254 -5.618) 5.635 2.272 ( -5.674 5.158 1.599) 7.833 2.334 ( 5.131 -7.111 2.817) 9.210 2.407 ( -1.381 3.726 1.764) 4.348 2.471 ( -4.472 -8.171 3.786) 10.055 2.555 ( -0.990 -3.187 1.271) 3.571 2.690 ( -2.550 3.303 -1.403) 4.403 2.783 ( -1.092 -5.364 -5.212) 7.558 2.966 ( 0.187 3.221 -4.583) 5.605 3.043 ( -1.561 -0.406 2.881) 3.302 3.058 ( 0.236 2.201 -3.462) 4.109 3.128 ( 4.954 -2.254 -7.894) 9.589 3.182 ( 0.447 3.914 0.522) 3.974 3.210 ( 0.450 0.108 0.760) 0.890 3.311 ( 1.067 3.253 5.666) 6.620 3.350 ( 4.600 3.929 -3.801) 7.145 3.433 ( -2.651 -1.944 0.277) 3.299 3.451 ( 5.918 -2.681 4.060) 7.661 3.466 ( -0.984 -2.458 -2.272) 3.489 3.519 ( 4.840 -2.576 1.448) 5.671 3.708 ( 8.369 5.393 -1.552) 10.077 3.805 ( 0.247 -2.386 0.350) 2.424 3.821 ( 6.309 3.116 1.326) 7.160 3.854 ( 2.298 3.069 -1.172) 4.009 3.935 ( 1.444 -0.082 -0.089) 1.449 3.998 ( 2.059 -1.428 1.501) 2.921 4.061 ( -0.733 4.010 1.650) 4.398 4.123 ( 1.889 1.750 0.093) 2.577 4.191 ( 4.146 1.858 -0.912) 4.634 4.223 ( -0.482 0.285 5.915) 5.941 4.338 ( 4.174 2.914 2.555) 5.696 4.352 ( 2.081 1.183 3.121) 3.934 4.445 ( -1.017 3.224 -2.794) 4.386 4.487 ( 1.479 1.020 2.442) 3.032 4.543 ( -0.592 1.961 -0.711) 2.168 4.660 ( -3.162 -2.359 -2.505) 4.674 4.761 ( 3.234 -1.329 1.903) 3.981 4.804 ( 1.641 -3.337 -1.238) 3.919 4.832 ( -5.386 -1.432 3.340) 6.497 4.871 ( 6.718 1.809 -2.816) 7.506 4.910 ( 7.764 -5.943 3.551) 10.402 4.953 ( -1.132 -4.366 0.056) 4.511 5.055 ( 3.252 2.466 -6.971) 8.078 5.086 ( -3.148 -2.765 -3.091) 5.207 5.143 ( 9.221 1.896 -0.268) 9.418 5.232 ( -0.168 2.812 -7.190) 7.722 5.285 ( 6.518 -4.245 -3.998) 8.746 5.329 ( 2.583 -5.277 -2.100) 6.240 5.408 ( -2.727 4.107 -0.879) 5.008 5.453 ( -1.152 -0.552 5.345) 5.496 5.586 ( 2.299 0.620 -1.120) 2.631 5.643 ( 1.094 -2.078 -3.438) 4.163 5.665 ( 2.669 0.059 -3.583) 4.468 5.722 ( -0.044 -2.717 0.334) 2.738 5.781 ( -1.104 0.417 -0.004) 1.180 5.805 ( 5.204 -1.317 -2.738) 6.026 5.873 ( -3.459 2.121 -2.362) 4.695 5.913 ( -0.319 1.033 5.263) 5.373 5.961 ( -2.307 -3.391 -0.007) 4.102 5.999 ( -1.953 -4.127 4.636) 6.506 6.138 ( -4.730 3.176 -1.556) 5.906 6.180 ( -4.305 -0.546 -1.500) 4.591 6.272 ( -4.558 0.700 2.982) 5.492 6.301 ( -5.864 -1.622 3.072) 6.815 6.401 ( -5.876 2.874 -1.298) 6.669 6.454 ( -5.306 -1.799 0.999) 5.691 6.476 ( -1.662 1.325 -0.588) 2.206 6.520 ( 0.572 -2.442 -4.866) 5.475 6.702 ( -2.185 4.417 2.578) 5.562 6.766 ( -2.844 -1.839 2.411) 4.157 6.855 ( -4.863 4.651 -3.985) 7.821 6.939 ( -1.579 -1.447 0.733) 2.264 6.991 ( -2.639 2.554 -0.834) 3.766 7.059 ( -1.239 -2.231 -1.814) 3.131 7.242 ( -0.343 3.327 0.730) 3.424 7.301 ( -0.846 -2.722 -2.272) 3.645 7.432 ( -1.376 2.168 2.961) 3.919 7.491 ( -0.497 -2.505 1.556) 2.991 7.589 ( -5.158 6.769 2.030) 8.749 7.683 ( -3.834 -0.406 -2.413) 4.549 7.888 ( 1.780 -3.511 1.100) 4.087 7.916 ( 0.897 -4.391 0.897) 4.571 8.064 ( 3.944 2.302 -0.230) 4.572 8.162 ( 0.972 -5.496 0.330) 5.591 8.284 ( 0.328 2.234 1.153) 2.535 8.343 ( 2.379 -1.876 1.661) 3.455 8.401 ( -2.840 0.429 1.116) 3.081 8.423 ( -4.895 -1.250 2.326) 5.562 8.727 ( 1.631 2.930 -3.102) 4.568 8.747 ( 2.301 0.848 -4.080) 4.761 8.854 ( -0.072 0.294 -0.180) 0.352 8.862 ( -0.128 -0.207 2.539) 2.551 9.115 ( -0.047 -1.293 -1.158) 1.737 9.137 ( 0.216 -2.899 -0.734) 2.998 10.060 ( -2.315 3.598 3.016) 5.235 10.086 ( -2.457 1.073 2.170) 3.449 10.270 ( 2.301 2.738 0.905) 3.690 10.356 ( 2.853 -3.739 -2.911) 5.531 10.471 ( -0.283 3.084 1.065) 3.275 10.501 ( -0.627 0.369 2.945) 3.033 10.678 ( 1.400 0.290 0.782) 1.630 10.746 ( 1.412 -5.436 -2.791) 6.271 10.942 ( 0.111 -1.085 1.585) 1.923 10.995 ( 0.823 -5.067 -1.114) 5.253 11.110 ( -0.655 3.122 1.604) 3.570 11.183 ( -1.553 -3.184 2.099) 4.117 11.285 ( -0.005 1.765 -2.612) 3.153 11.312 ( 0.458 -0.699 -2.564) 2.696 11.460 ( -2.902 3.375 -0.505) 4.479 11.528 ( -1.577 -1.585 1.027) 2.460 11.560 ( -3.757 0.567 1.670) 4.150 11.612 ( -1.215 -2.913 -1.371) 3.441 11.697 ( 1.222 2.954 0.035) 3.197 11.746 ( 0.612 -1.545 0.715) 1.809 11.802 ( -1.667 3.062 0.427) 3.512 11.852 ( -1.930 -1.189 0.785) 2.399 11.984 ( 1.072 3.253 -1.541) 3.755 12.029 ( 0.395 -0.439 -1.804) 1.898 12.827 ( -0.296 1.342 5.582) 5.749 12.849 ( -1.199 -0.580 5.296) 5.461 13.069 ( -1.342 6.264 -3.795) 7.446 13.202 ( -3.672 -6.273 -3.691) 8.152 14.072 ( 2.258 4.864 1.613) 5.600 14.180 ( 2.787 -4.942 1.267) 5.814 14.251 ( 2.149 0.695 -2.520) 3.384 14.283 ( 3.551 -2.250 -0.879) 4.294 14.946 ( 1.171 2.572 0.166) 2.831 14.970 ( 0.249 3.056 -1.513) 3.419 15.010 ( 2.321 -1.050 2.627) 3.659 15.051 ( 1.821 -2.010 -2.812) 3.907 16.564 ( 0.787 0.382 0.185) 0.894 16.571 ( 0.799 -0.235 0.142) 0.845 16.647 ( 0.913 0.579 0.068) 1.083 16.657 ( 0.955 -0.352 -0.164) 1.031 16.851 ( -0.982 7.290 2.185) 7.673 16.940 ( -0.978 4.825 -1.461) 5.136 17.043 ( -0.085 -3.925 2.960) 4.916 17.140 ( -0.157 -7.112 -2.746) 7.625 22.909 ( -1.314 2.759 -0.950) 3.200 22.965 ( -2.881 -2.099 -0.892) 3.675 23.219 ( -1.393 1.413 2.524) 3.210 23.270 ( -3.093 -3.137 5.726) 7.224 23.574 ( 0.381 4.555 1.921) 4.958 23.656 ( 5.871 -1.547 0.694) 6.111 23.740 ( -3.427 1.464 0.726) 3.797 23.820 ( -2.022 -5.548 -1.987) 6.230 24.020 ( -3.503 6.943 1.768) 7.975 24.134 ( -2.177 -2.201 0.839) 3.207 24.277 ( -4.551 6.399 -1.989) 8.100 24.377 ( -6.646 -3.619 -1.145) 7.654 24.570 ( 5.056 1.394 6.426) 8.294 24.630 ( 0.602 -3.527 2.508) 4.369 24.850 ( -3.322 7.683 -1.330) 8.476 25.077 ( -3.019 -11.475 -1.221) 11.928 25.281 ( 8.438 3.391 -0.908) 9.139 25.373 ( 7.278 -4.820 -2.046) 8.965 26.016 ( 4.254 4.257 -0.285) 6.025 26.030 ( -4.142 2.270 -0.429) 4.743 26.084 ( 0.518 -2.729 1.905) 3.368 26.122 ( 0.046 -4.483 -9.595) 10.591 27.331 ( -1.233 8.492 0.816) 8.620 27.496 ( -2.133 -7.078 -1.788) 7.606 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.343 -2.187 3.119) 8.272 1.480 ( 6.596 -3.950 5.423) 9.408 1.707 ( 6.658 4.725 -4.158) 9.162 1.744 ( 5.368 0.167 -5.606) 7.763 1.964 ( 0.532 10.450 3.921) 11.175 1.992 ( 6.288 0.130 0.756) 6.334 2.125 ( -3.466 -2.015 -2.707) 4.838 2.228 ( -1.782 -0.345 6.620) 6.864 2.402 ( -0.796 5.085 -1.441) 5.345 2.423 ( 2.297 -2.368 5.160) 6.124 2.478 ( 3.637 -5.751 -0.599) 6.831 2.535 ( 0.325 -6.935 3.064) 7.588 2.628 ( -1.048 5.195 -7.051) 8.821 2.754 ( -2.783 -5.522 -4.775) 7.813 2.856 ( -4.062 1.614 -0.566) 4.408 2.907 ( -9.610 -1.527 -8.369) 12.834 3.065 ( 1.316 -1.199 4.482) 4.823 3.103 ( -2.312 -3.401 -4.971) 6.452 3.201 ( -5.188 2.718 -0.910) 5.927 3.296 ( 3.983 8.240 0.778) 9.185 3.309 ( 0.727 1.684 0.613) 1.934 3.393 ( 4.082 4.100 -0.481) 5.805 3.402 ( -0.762 -1.810 2.990) 3.578 3.463 ( 5.556 -3.038 4.415) 7.720 3.603 ( 3.046 4.744 -2.940) 6.359 3.652 ( -0.767 1.151 -0.879) 1.639 3.726 ( -3.076 2.585 -0.183) 4.023 3.819 ( -2.648 6.306 2.900) 7.429 3.835 ( -5.833 4.012 1.627) 7.264 3.873 ( 6.267 -3.966 -1.795) 7.631 3.978 ( -3.391 -1.491 2.083) 4.250 3.999 ( 3.770 -4.614 -3.080) 6.707 4.121 ( 10.177 5.215 1.594) 11.546 4.173 ( -2.064 7.042 -0.522) 7.357 4.232 ( -2.347 -2.373 -0.169) 3.341 4.334 ( 10.938 -2.295 2.737) 11.506 4.394 ( 4.781 -1.133 -0.891) 4.994 4.423 ( 2.070 0.202 1.468) 2.546 4.488 ( 7.436 2.816 2.319) 8.283 4.518 ( -0.616 -5.436 0.677) 5.513 4.561 ( 1.242 -0.998 3.234) 3.605 4.625 ( 0.819 -5.317 0.818) 5.441 4.748 ( 0.720 4.219 1.398) 4.502 4.795 ( -1.719 -2.219 0.870) 2.939 4.803 ( -2.704 1.438 4.140) 5.150 4.918 ( 0.441 -4.417 -0.659) 4.488 5.010 ( 3.819 -1.467 -1.821) 4.478 5.035 ( 3.375 -3.065 0.071) 4.559 5.107 ( 6.827 1.117 -2.093) 7.227 5.140 ( 5.327 -0.541 -1.774) 5.640 5.245 ( 1.208 2.292 -5.295) 5.895 5.294 ( -2.722 1.525 -0.103) 3.122 5.339 ( 7.486 1.855 -1.332) 7.826 5.372 ( 0.919 1.173 1.003) 1.796 5.431 ( 4.124 -1.105 0.144) 4.272 5.452 ( 0.945 -2.477 2.532) 3.665 5.554 ( -4.862 1.309 1.401) 5.226 5.583 ( -6.329 -0.702 -2.246) 6.753 5.668 ( -4.083 3.468 0.772) 5.412 5.703 ( -0.882 0.990 -0.968) 1.642 5.783 ( -1.160 0.767 -0.719) 1.566 5.806 ( -0.848 -2.027 5.502) 5.925 5.871 ( 3.720 -2.227 -3.561) 5.611 5.923 ( -0.593 -3.331 4.436) 5.579 5.972 ( 1.075 -0.096 -2.884) 3.079 6.004 ( 3.829 -2.085 -1.587) 4.639 6.072 ( -2.848 -0.387 -1.050) 3.060 6.086 ( -1.188 -0.632 0.998) 1.675 6.232 ( 0.226 -0.041 0.037) 0.232 6.255 ( -0.587 -1.305 0.059) 1.432 6.290 ( -4.134 0.134 -0.595) 4.179 6.340 ( -5.415 -4.136 1.099) 6.902 6.438 ( -2.803 4.325 -0.670) 5.198 6.542 ( 1.292 -4.175 -4.706) 6.422 6.691 ( -1.626 2.431 3.567) 4.613 6.714 ( -1.987 -0.202 3.075) 3.667 6.764 ( -2.825 4.932 -6.721) 8.802 6.853 ( -4.075 -2.795 -5.362) 7.292 6.935 ( -3.990 1.877 0.375) 4.425 6.981 ( -6.256 -2.022 -2.241) 6.946 7.237 ( 0.104 3.065 1.274) 3.321 7.243 ( -2.598 0.651 -3.412) 4.338 7.356 ( -4.881 2.686 0.271) 5.577 7.434 ( -5.299 -2.016 1.076) 5.771 7.550 ( -0.031 3.458 5.495) 6.492 7.637 ( -1.264 -3.675 0.179) 3.891 7.917 ( 1.801 -0.108 0.302) 1.830 7.942 ( 1.333 -2.221 -0.284) 2.606 8.155 ( 4.248 0.344 -0.389) 4.279 8.183 ( 0.493 -1.036 0.772) 1.383 8.312 ( 1.992 1.336 -0.187) 2.406 8.339 ( -3.072 0.221 1.682) 3.510 8.362 ( -0.258 -0.906 -0.459) 1.048 8.389 ( 0.985 -3.193 1.588) 3.700 8.745 ( 0.740 3.833 0.040) 3.904 8.793 ( 2.559 -0.165 -2.961) 3.917 8.837 ( -1.470 0.130 0.866) 1.711 8.847 ( -1.626 -0.129 1.831) 2.452 9.115 ( 0.037 -1.305 -0.114) 1.310 9.134 ( -0.487 -2.783 -0.362) 2.848 10.035 ( -0.654 2.873 1.507) 3.309 10.059 ( -0.316 0.363 -1.126) 1.225 10.318 ( 2.083 3.436 2.031) 4.503 10.403 ( 1.891 -2.219 -2.500) 3.840 10.476 ( 0.943 1.781 -0.361) 2.047 10.500 ( -0.028 0.789 1.734) 1.905 10.707 ( 1.199 0.854 1.531) 2.124 10.771 ( 1.302 -5.159 -2.923) 6.071 10.961 ( 1.801 -0.668 0.933) 2.136 11.010 ( 0.868 -3.956 -0.670) 4.105 11.089 ( -1.528 2.010 1.027) 2.726 11.121 ( -3.589 -0.121 0.982) 3.723 11.304 ( 1.126 0.117 -2.000) 2.298 11.322 ( 0.410 -0.635 -2.723) 2.826 11.415 ( -1.542 1.426 0.826) 2.257 11.458 ( -4.328 -2.289 2.060) 5.311 11.536 ( 0.166 1.304 -0.271) 1.342 11.578 ( -1.849 -2.137 -0.199) 2.833 11.722 ( 1.391 2.065 0.368) 2.517 11.750 ( -0.086 -0.490 0.831) 0.969 11.785 ( -0.295 1.766 -0.233) 1.805 11.818 ( -1.661 -0.851 0.030) 1.866 12.001 ( 0.572 2.475 0.081) 2.542 12.028 ( -0.324 0.295 -0.647) 0.782 12.836 ( 0.557 0.848 4.110) 4.233 12.848 ( 0.558 -0.258 3.221) 3.279 13.034 ( -1.611 3.909 -2.676) 5.004 13.110 ( -4.651 -3.255 -3.516) 6.678 14.121 ( 2.224 5.019 3.145) 6.327 14.234 ( 2.311 -4.921 2.086) 5.823 14.267 ( 0.015 1.980 -3.226) 3.785 14.328 ( 1.285 -3.305 -1.948) 4.046 14.966 ( 0.822 3.517 0.126) 3.614 14.978 ( 0.501 3.883 -0.840) 4.004 15.045 ( 0.873 -1.976 2.712) 3.467 15.080 ( 1.614 -3.433 -2.972) 4.819 16.578 ( 0.587 0.341 0.339) 0.759 16.584 ( 0.450 -0.156 0.273) 0.549 16.665 ( 0.861 0.606 -0.194) 1.070 16.673 ( 0.668 -0.177 -0.359) 0.778 16.844 ( 0.019 6.764 1.945) 7.038 16.916 ( -1.129 4.408 -1.756) 4.877 17.049 ( 0.311 -3.822 2.789) 4.742 17.130 ( -0.469 -6.962 -2.633) 7.458 22.899 ( 0.001 1.685 -1.003) 1.961 22.924 ( -1.423 -0.606 -0.758) 1.723 23.200 ( -0.529 -0.540 -0.475) 0.893 23.209 ( -2.581 -1.476 1.992) 3.579 23.615 ( 3.496 4.033 3.059) 6.152 23.694 ( -0.362 -3.275 4.940) 5.938 23.793 ( 5.880 0.376 0.413) 5.906 23.825 ( 1.393 -1.980 0.699) 2.520 23.929 ( -5.151 8.389 1.941) 10.033 24.069 ( -4.480 -2.873 0.744) 5.374 24.212 ( -2.831 3.036 -2.105) 4.654 24.255 ( -4.425 -1.462 -3.731) 5.970 24.593 ( -3.015 0.445 4.182) 5.175 24.613 ( -1.698 -2.298 1.629) 3.289 24.862 ( 4.112 5.912 2.382) 7.585 25.037 ( -1.000 -8.226 -1.165) 8.368 25.432 ( 6.795 0.261 -0.393) 6.811 25.495 ( 5.170 -4.595 -2.259) 7.277 25.923 ( -5.466 0.660 -4.000) 6.805 25.961 ( -7.296 -2.669 -3.767) 8.634 26.115 ( 3.913 4.563 2.032) 6.346 26.195 ( 3.912 -2.923 -4.447) 6.605 27.330 ( 0.717 6.432 1.980) 6.768 27.443 ( -2.967 -4.256 -0.465) 5.209 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 1.941 -2.647 1.152) 3.479 1.561 ( 1.257 -3.981 0.367) 4.191 1.793 ( 2.569 1.544 -10.037) 10.475 1.825 ( 3.124 0.705 -12.016) 12.435 1.976 ( 1.327 9.744 5.791) 11.412 2.033 ( -0.013 8.667 -2.480) 9.015 2.192 ( -1.802 -5.212 5.867) 8.052 2.228 ( 7.629 -4.939 1.177) 9.164 2.369 ( -0.202 4.653 1.213) 4.812 2.387 ( -1.865 2.526 0.706) 3.218 2.540 ( 0.482 2.012 -5.864) 6.218 2.584 ( 1.553 -4.197 -7.050) 8.351 2.635 ( -0.378 -2.272 3.617) 4.288 2.679 ( -0.351 -0.042 -3.324) 3.343 2.771 ( -0.684 -6.177 -0.947) 6.286 2.838 ( -3.853 -9.539 -5.372) 11.606 3.023 ( -4.591 0.441 1.560) 4.868 3.098 ( 2.079 -3.956 -3.898) 5.931 3.166 ( 3.220 8.024 6.596) 10.875 3.311 ( -0.366 -0.473 3.644) 3.693 3.317 ( -0.161 8.085 -4.627) 9.316 3.406 ( 4.316 4.239 -3.265) 6.874 3.495 ( 0.166 3.847 3.730) 5.361 3.537 ( -1.981 0.324 0.612) 2.098 3.590 ( 0.525 2.769 3.830) 4.755 3.644 ( -1.430 -1.681 -0.465) 2.256 3.697 ( -0.037 7.849 -0.712) 7.881 3.724 ( 0.019 2.721 -1.692) 3.204 3.807 ( 1.076 -1.306 -0.974) 1.953 3.826 ( -3.625 -1.536 -2.783) 4.821 3.999 ( -4.296 4.019 5.224) 7.867 4.078 ( -4.274 -2.036 3.062) 5.638 4.085 ( 3.110 -3.675 2.222) 5.303 4.109 ( 2.288 -2.819 0.800) 3.717 4.384 ( 3.145 -1.379 -0.316) 3.449 4.395 ( -4.797 -1.856 -0.061) 5.144 4.452 ( 4.533 0.664 3.066) 5.513 4.480 ( -4.738 4.288 -1.128) 6.489 4.525 ( 2.045 -2.879 0.040) 3.532 4.554 ( -1.045 -3.356 1.162) 3.702 4.623 ( 4.062 -0.384 1.178) 4.247 4.634 ( 1.517 0.941 1.091) 2.092 4.748 ( -1.094 0.390 2.892) 3.116 4.756 ( 1.829 1.216 0.923) 2.383 4.834 ( 1.040 -1.644 6.159) 6.459 4.921 ( -2.888 -0.863 2.044) 3.642 4.996 ( -2.451 -2.164 -5.012) 5.984 5.051 ( -0.605 -2.578 -6.832) 7.327 5.177 ( -5.334 0.371 4.046) 6.705 5.180 ( -3.347 -0.461 3.691) 5.003 5.236 ( -0.842 1.929 3.222) 3.849 5.239 ( -1.489 1.178 2.166) 2.880 5.369 ( -1.175 0.638 0.730) 1.523 5.395 ( 1.976 1.126 0.258) 2.289 5.418 ( -0.497 0.537 1.317) 1.507 5.469 ( -0.308 -5.405 0.514) 5.438 5.560 ( 0.751 1.213 2.251) 2.665 5.570 ( 0.851 1.925 -2.248) 3.079 5.629 ( 6.019 1.892 -1.281) 6.438 5.660 ( -4.786 -1.822 0.800) 5.183 5.734 ( 3.374 5.180 1.091) 6.277 5.815 ( -0.973 1.777 -1.633) 2.603 5.858 ( -3.850 0.216 6.019) 7.148 5.962 ( 2.853 -7.772 -0.287) 8.284 6.013 ( -0.647 2.856 0.586) 2.986 6.049 ( 1.654 1.846 -2.788) 3.730 6.084 ( 0.606 -1.882 -4.106) 4.557 6.112 ( 3.425 -3.076 -4.615) 6.519 6.237 ( 2.744 0.114 -0.716) 2.838 6.261 ( 2.643 -2.246 -1.427) 3.751 6.279 ( 0.198 -2.240 -1.125) 2.514 6.288 ( 1.070 -3.537 -1.800) 4.111 6.404 ( -0.011 3.580 2.324) 4.268 6.486 ( -5.492 -2.630 -3.576) 7.062 6.623 ( -2.948 0.344 1.638) 3.390 6.660 ( -3.343 -2.485 1.768) 4.525 6.793 ( 2.767 2.568 0.692) 3.838 6.816 ( -2.298 0.572 0.368) 2.396 6.860 ( 0.219 1.279 -5.109) 5.271 6.908 ( 2.315 -2.688 -8.733) 9.426 7.229 ( -2.215 6.379 1.719) 6.968 7.253 ( 3.004 5.052 -0.579) 5.906 7.324 ( 2.192 -1.473 0.296) 2.658 7.334 ( -3.039 -3.394 -0.463) 4.579 7.563 ( 0.564 1.566 5.811) 6.045 7.625 ( -0.065 -3.689 -0.138) 3.692 7.950 ( 0.909 -0.346 -0.216) 0.996 7.952 ( -0.478 -0.326 -0.669) 0.884 8.182 ( -0.604 0.153 0.701) 0.938 8.189 ( -0.094 -0.667 -0.014) 0.674 8.318 ( 0.220 2.898 0.413) 2.935 8.338 ( 1.732 1.654 -1.798) 2.995 8.384 ( -0.661 -2.585 -0.096) 2.670 8.395 ( 1.709 -3.705 -0.547) 4.117 8.739 ( -2.183 2.776 4.662) 5.848 8.783 ( -3.366 -0.901 3.387) 4.859 8.832 ( 1.496 1.676 -2.780) 3.574 8.859 ( 2.786 -0.271 -2.592) 3.815 9.109 ( -1.114 -1.451 1.739) 2.524 9.123 ( -0.366 -2.741 0.279) 2.779 10.038 ( 0.866 3.106 -0.443) 3.255 10.070 ( 1.644 -0.218 -3.583) 3.948 10.339 ( -0.474 4.185 3.624) 5.556 10.412 ( -0.477 -0.441 -2.267) 2.358 10.495 ( -0.588 0.599 0.071) 0.842 10.503 ( 1.454 -0.825 -0.444) 1.729 10.721 ( 0.015 0.646 1.790) 1.903 10.782 ( 0.246 -3.941 -3.172) 5.065 11.006 ( 2.011 -1.479 -0.168) 2.502 11.019 ( -0.595 -2.203 -1.445) 2.701 11.064 ( 0.004 1.825 1.041) 2.101 11.088 ( 0.797 -0.165 -1.410) 1.628 11.308 ( -0.534 0.291 -0.687) 0.917 11.316 ( -0.602 -0.137 -1.372) 1.504 11.380 ( -2.534 0.484 4.166) 4.900 11.418 ( 0.251 -2.876 1.836) 3.421 11.549 ( 1.064 0.137 -0.723) 1.294 11.560 ( 0.512 -0.745 -2.327) 2.497 11.741 ( -0.089 1.554 0.419) 1.612 11.756 ( 1.002 0.333 -0.656) 1.243 11.778 ( -0.780 0.965 1.322) 1.813 11.795 ( -0.166 -0.581 -0.027) 0.605 11.997 ( -1.242 2.330 2.214) 3.445 12.018 ( -0.606 0.361 0.301) 0.767 12.856 ( 0.989 1.032 2.757) 3.106 12.876 ( 1.924 -0.808 1.477) 2.557 13.012 ( -0.121 1.687 -1.428) 2.214 13.037 ( -2.215 -0.618 -3.062) 3.830 14.160 ( 1.283 4.826 4.266) 6.568 14.244 ( -1.640 3.738 -3.890) 5.639 14.270 ( 0.800 -5.381 3.007) 6.216 14.328 ( -0.935 -4.156 -2.579) 4.980 14.970 ( -0.542 3.332 0.617) 3.432 14.984 ( 0.188 4.239 -0.683) 4.298 15.049 ( -0.652 -1.579 2.240) 2.817 15.102 ( 0.958 -4.286 -2.818) 5.218 16.585 ( -0.024 0.224 0.553) 0.597 16.587 ( -0.210 0.037 0.417) 0.468 16.676 ( 0.176 0.398 -0.278) 0.516 16.679 ( -0.027 0.162 -0.557) 0.580 16.856 ( 0.906 6.015 1.799) 6.343 16.896 ( -0.658 5.027 -2.111) 5.491 17.061 ( 0.447 -4.218 2.767) 5.064 17.117 ( -0.428 -6.804 -2.671) 7.322 22.889 ( -1.000 1.016 0.940) 1.708 22.910 ( -0.100 -0.525 -0.794) 0.957 23.186 ( 0.878 0.977 -1.097) 1.712 23.225 ( 3.005 -2.351 -4.588) 5.967 23.679 ( -0.384 2.383 4.194) 4.839 23.716 ( 3.567 -1.543 1.882) 4.318 23.805 ( -3.793 3.777 2.409) 5.870 23.842 ( -0.060 -0.150 1.599) 1.607 23.933 ( 3.588 2.262 4.051) 5.865 23.984 ( -3.186 -1.417 0.001) 3.487 24.160 ( -1.177 1.863 0.053) 2.204 24.208 ( -0.696 -1.902 -4.130) 4.600 24.554 ( -0.317 2.816 2.554) 3.815 24.607 ( 2.060 -2.159 -1.663) 3.416 24.949 ( 3.616 0.753 4.095) 5.514 25.011 ( -2.096 -3.676 -1.786) 4.593 25.519 ( 1.344 -1.827 -0.714) 2.378 25.556 ( 1.154 -4.551 -3.784) 6.030 25.829 ( -3.238 -0.716 -0.269) 3.327 25.837 ( -3.955 -1.342 -0.723) 4.239 26.170 ( 1.388 4.660 0.486) 4.887 26.242 ( 1.653 -2.028 -6.355) 6.872 27.354 ( 1.058 2.663 3.651) 4.642 27.387 ( -2.646 -0.442 0.531) 2.735 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -1.107 1.199 -6.003) 6.221 1.574 ( 0.369 -1.300 -4.953) 5.134 1.769 ( -5.098 -1.024 -7.067) 8.774 1.793 ( -3.398 -3.745 -7.110) 8.725 2.007 ( 1.252 17.048 1.239) 17.139 2.066 ( 1.768 4.016 -6.598) 7.924 2.110 ( -4.103 0.841 -1.839) 4.574 2.306 ( 0.215 -5.035 3.455) 6.110 2.377 ( -1.639 4.528 0.840) 4.889 2.394 ( -1.739 1.307 6.886) 7.221 2.543 ( -0.997 -1.291 -7.607) 7.780 2.575 ( 5.117 -2.632 -7.805) 9.697 2.630 ( -4.069 -7.386 -0.777) 8.468 2.715 ( 1.859 -6.905 -0.232) 7.155 2.748 ( 5.403 -1.279 3.539) 6.584 2.844 ( 6.176 -7.149 0.466) 9.459 2.993 ( 0.823 5.107 1.671) 5.436 3.141 ( 0.628 -8.033 -0.499) 8.073 3.244 ( 1.990 11.699 1.044) 11.913 3.313 ( -2.879 7.162 -6.200) 9.900 3.322 ( -0.014 4.938 -2.008) 5.330 3.428 ( -2.714 0.871 -1.863) 3.406 3.442 ( -3.263 -3.044 0.822) 4.538 3.488 ( 0.476 -0.621 2.382) 2.507 3.531 ( -2.877 7.775 1.792) 8.482 3.659 ( 3.002 -1.030 -1.452) 3.490 3.702 ( -1.873 1.297 2.488) 3.374 3.773 ( -2.255 2.209 4.548) 5.536 3.840 ( 1.167 -1.464 0.645) 1.980 3.857 ( -2.120 -3.150 4.718) 6.055 3.870 ( 3.187 2.775 -0.911) 4.323 4.005 ( -2.200 -0.782 3.901) 4.547 4.161 ( 3.030 -1.095 0.000) 3.222 4.199 ( -2.306 5.738 -1.772) 6.433 4.238 ( -1.525 -1.105 1.839) 2.632 4.317 ( -7.764 -5.491 1.405) 9.613 4.358 ( -4.525 -0.837 3.084) 5.539 4.416 ( -8.392 -5.314 0.877) 9.972 4.514 ( -2.955 3.236 1.936) 4.790 4.532 ( -3.154 3.264 2.981) 5.430 4.617 ( -0.530 2.667 -5.929) 6.523 4.643 ( -1.896 -2.625 0.963) 3.379 4.760 ( -3.829 3.154 4.813) 6.912 4.806 ( 3.085 3.692 -1.436) 5.021 4.853 ( 1.447 -0.179 3.099) 3.425 4.869 ( 2.339 -5.013 0.904) 5.605 4.962 ( -8.484 2.511 4.129) 9.764 5.015 ( -1.047 -2.578 -3.798) 4.708 5.029 ( 0.162 -2.273 -0.167) 2.285 5.084 ( -7.201 -3.887 0.273) 8.188 5.156 ( -4.642 -0.449 2.424) 5.256 5.212 ( -3.187 -3.363 5.609) 7.275 5.322 ( -4.615 5.585 -0.724) 7.281 5.428 ( -3.594 -1.187 -0.559) 3.826 5.449 ( -0.429 2.060 5.172) 5.583 5.482 ( -2.154 1.040 -0.192) 2.400 5.513 ( 1.748 -4.033 -0.011) 4.396 5.573 ( 0.344 -4.370 3.574) 5.655 5.648 ( 1.142 4.875 0.646) 5.048 5.696 ( -0.234 1.705 0.970) 1.975 5.770 ( 0.868 -1.890 -2.868) 3.542 5.787 ( -0.928 -3.495 0.416) 3.640 5.900 ( -3.168 2.123 -1.039) 3.953 5.951 ( 4.522 1.587 -1.694) 5.083 6.004 ( 3.573 1.168 -1.933) 4.227 6.034 ( -1.736 -2.939 -3.050) 4.577 6.105 ( 2.655 0.420 -3.644) 4.529 6.153 ( 1.089 -2.827 -1.566) 3.410 6.273 ( -0.508 -0.655 0.611) 1.030 6.285 ( 2.889 -1.502 -3.205) 4.569 6.330 ( 4.903 1.074 -8.092) 9.522 6.377 ( 6.058 -2.459 -2.154) 6.884 6.415 ( 1.727 1.998 1.098) 2.860 6.468 ( 0.800 -2.056 2.053) 3.014 6.631 ( 4.558 0.117 4.869) 6.671 6.654 ( 2.975 -1.591 3.537) 4.888 6.784 ( 0.578 2.791 -1.408) 3.179 6.810 ( 0.829 0.050 0.692) 1.081 6.948 ( 5.289 1.800 -2.563) 6.147 6.993 ( 5.184 -2.468 -3.856) 6.916 7.193 ( -0.020 4.156 1.349) 4.369 7.267 ( -1.438 -2.328 -1.183) 2.981 7.355 ( 5.699 6.545 0.519) 8.694 7.438 ( 6.537 -0.308 0.704) 6.582 7.581 ( 0.363 0.832 5.134) 5.214 7.627 ( -0.110 -3.221 -1.025) 3.382 7.932 ( -0.986 -0.272 -1.797) 2.068 7.946 ( -0.671 -1.832 -1.051) 2.216 8.140 ( -3.838 -0.580 1.075) 4.027 8.169 ( -2.989 -3.379 2.486) 5.150 8.322 ( 0.494 4.096 -1.200) 4.297 8.379 ( 1.571 1.430 -2.514) 3.292 8.397 ( 3.970 -0.476 -2.915) 4.948 8.417 ( 0.743 -4.434 -0.950) 4.595 8.694 ( -2.623 2.196 4.768) 5.868 8.719 ( -3.566 0.164 3.560) 5.041 8.858 ( 0.818 2.285 -1.474) 2.840 8.902 ( 1.582 -0.852 -2.507) 3.085 9.083 ( -1.556 -0.605 2.789) 3.250 9.124 ( 0.370 -3.755 0.730) 3.843 10.067 ( 2.354 3.877 -2.159) 5.023 10.109 ( 2.863 -0.251 -4.554) 5.385 10.314 ( -2.228 4.146 2.462) 5.311 10.380 ( -2.519 -0.893 -0.882) 2.815 10.483 ( -0.446 0.534 0.030) 0.696 10.523 ( 0.800 -1.493 -0.712) 1.837 10.714 ( -0.796 -0.175 1.051) 1.330 10.773 ( -0.760 -3.178 -4.139) 5.273 10.999 ( -0.480 -1.698 -2.679) 3.208 11.010 ( -0.821 -2.496 -0.875) 2.769 11.094 ( 1.737 2.802 1.450) 3.602 11.145 ( 3.977 -1.602 -0.332) 4.300 11.280 ( -1.825 0.896 0.191) 2.042 11.305 ( -0.230 -0.775 -0.987) 1.276 11.364 ( 0.515 2.514 3.331) 4.204 11.447 ( 2.161 -4.987 3.431) 6.428 11.573 ( 1.340 0.249 -0.214) 1.380 11.579 ( 1.540 -0.100 -3.524) 3.848 11.720 ( -1.904 2.635 0.725) 3.330 11.757 ( -0.737 0.322 0.992) 1.277 11.789 ( 1.719 0.646 -1.222) 2.206 11.815 ( 2.083 -0.899 0.452) 2.313 11.965 ( -2.186 3.025 3.166) 4.894 12.002 ( -1.191 -0.328 1.683) 2.088 12.881 ( 1.483 2.135 1.201) 2.864 12.915 ( 2.039 -0.679 -2.190) 3.068 13.018 ( 0.260 0.873 -2.048) 2.241 13.037 ( 2.586 -1.261 2.264) 3.661 14.171 ( -1.467 4.069 1.802) 4.686 14.201 ( -1.518 4.246 -0.726) 4.567 14.267 ( -1.929 -4.678 1.126) 5.184 14.296 ( -1.734 -4.488 -0.793) 4.877 14.951 ( -1.383 2.915 0.782) 3.320 14.976 ( -1.083 2.808 0.197) 3.016 15.032 ( -1.196 0.437 1.405) 1.896 15.107 ( -0.210 -4.507 -3.066) 5.455 16.577 ( -0.739 0.256 0.485) 0.920 16.580 ( -0.564 0.053 0.542) 0.784 16.669 ( -0.670 0.414 -0.461) 0.913 16.673 ( -0.579 -0.002 -0.344) 0.673 16.880 ( 1.268 5.643 1.749) 6.042 16.888 ( 0.148 5.939 -2.176) 6.327 17.071 ( 0.217 -4.501 2.852) 5.333 17.109 ( -0.059 -6.737 -2.801) 7.296 22.879 ( 0.167 1.178 0.493) 1.288 22.913 ( 0.649 -1.723 0.496) 1.907 23.231 ( 3.649 2.714 -3.804) 5.929 23.303 ( 5.580 -3.983 -6.160) 9.216 23.634 ( -3.313 5.848 1.377) 6.860 23.715 ( -5.282 2.335 6.162) 8.445 23.774 ( 0.248 -5.683 -1.860) 5.985 23.812 ( -3.619 -2.944 2.543) 5.314 23.955 ( 3.900 5.923 0.282) 7.098 24.042 ( 4.683 -1.129 3.400) 5.896 24.174 ( 1.843 3.371 1.156) 4.012 24.228 ( 3.691 -1.899 -1.314) 4.354 24.608 ( 5.514 4.206 1.364) 7.068 24.686 ( 5.720 -1.818 -3.226) 6.814 24.933 ( -5.548 0.890 -3.513) 6.627 25.001 ( 1.044 -5.394 2.401) 5.996 25.462 ( -6.259 -1.301 -2.887) 7.015 25.504 ( -5.847 -6.016 -4.968) 9.750 25.822 ( 2.206 0.238 4.808) 5.295 25.841 ( 3.035 -1.387 6.231) 7.069 26.164 ( -1.975 4.739 -1.709) 5.411 26.240 ( -1.101 -2.221 -7.606) 8.000 27.336 ( -1.679 3.749 1.506) 4.375 27.391 ( 1.530 -1.309 4.119) 4.585 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 1.840 6.570 -11.248) 13.156 1.578 ( 1.713 3.526 -6.429) 7.530 1.656 ( -3.415 1.040 -2.752) 4.507 1.757 ( 1.516 -4.340 -8.986) 10.094 1.885 ( -10.170 8.920 -3.768) 14.042 2.029 ( -4.588 -2.009 -4.917) 7.019 2.120 ( -0.718 2.537 0.967) 2.809 2.217 ( -7.515 0.518 1.188) 7.626 2.328 ( -2.390 0.254 6.650) 7.071 2.390 ( 1.622 -2.245 4.536) 5.314 2.530 ( 2.589 -2.662 5.431) 6.579 2.643 ( 4.473 -5.050 -3.616) 7.654 2.683 ( 5.098 1.061 -3.915) 6.515 2.751 ( 1.354 -7.029 -1.400) 7.294 2.903 ( -3.217 1.265 -0.125) 3.459 2.940 ( -11.441 -1.623 8.161) 14.147 2.956 ( 0.592 4.226 -0.039) 4.268 3.056 ( 2.497 -1.692 0.606) 3.076 3.147 ( -2.972 2.289 5.156) 6.377 3.230 ( -2.726 0.543 -0.537) 2.831 3.352 ( 2.389 6.626 -5.855) 9.160 3.427 ( -2.409 5.778 -2.102) 6.604 3.455 ( 2.250 -0.925 -3.903) 4.599 3.472 ( 3.690 -1.274 -3.128) 5.002 3.551 ( 3.734 -3.239 -1.012) 5.046 3.581 ( -12.017 -3.777 -7.585) 14.704 3.694 ( 2.028 4.233 1.254) 4.859 3.711 ( -4.500 1.061 6.692) 8.134 3.743 ( -5.268 -0.977 6.480) 8.408 3.814 ( -1.255 -3.784 -0.024) 3.987 3.955 ( -6.000 1.762 0.675) 6.290 3.986 ( -1.776 -0.856 3.422) 3.950 4.086 ( -5.222 4.698 1.652) 7.216 4.172 ( -1.607 -2.299 -0.774) 2.910 4.214 ( -3.269 1.824 -3.521) 5.139 4.264 ( 4.975 5.287 6.349) 9.644 4.304 ( -1.679 -3.179 0.192) 3.600 4.359 ( -0.188 -1.001 3.667) 3.806 4.447 ( -1.353 6.970 -3.046) 7.726 4.513 ( -0.204 -2.696 2.617) 3.763 4.554 ( -3.256 2.065 5.276) 6.535 4.622 ( -0.258 -0.614 -2.943) 3.017 4.706 ( 1.146 1.756 0.092) 2.099 4.779 ( -7.948 7.005 2.130) 10.806 4.817 ( -5.113 -4.552 -1.980) 7.127 4.889 ( 2.841 3.783 -2.000) 5.136 4.908 ( -3.295 -3.656 2.706) 5.617 4.987 ( 2.583 -3.011 -3.268) 5.140 5.049 ( 2.019 1.950 2.312) 3.637 5.079 ( 1.381 -2.630 -2.470) 3.863 5.092 ( -1.623 -3.833 -5.044) 6.540 5.137 ( -3.268 -2.706 5.209) 6.718 5.207 ( -5.218 2.550 0.925) 5.881 5.313 ( -7.746 -4.862 -0.152) 9.147 5.397 ( -2.539 0.846 6.679) 7.195 5.431 ( -5.389 -1.167 7.555) 9.353 5.496 ( 1.226 -1.234 3.173) 3.619 5.596 ( 1.157 -5.080 -2.542) 5.797 5.649 ( -2.803 1.652 -1.721) 3.680 5.677 ( -2.683 -0.490 -0.052) 2.728 5.780 ( 2.822 0.979 1.444) 3.317 5.819 ( 3.750 -1.589 -2.624) 4.845 5.858 ( -1.993 3.265 -1.459) 4.094 5.975 ( 1.046 -6.286 -1.160) 6.477 6.015 ( 0.242 2.470 -2.890) 3.809 6.087 ( 1.324 -3.198 -2.850) 4.483 6.190 ( 4.454 1.736 -4.391) 6.491 6.208 ( 6.026 0.036 -2.094) 6.380 6.288 ( 2.993 2.968 2.839) 5.082 6.366 ( 5.218 -2.289 -3.162) 6.516 6.424 ( 2.441 -0.260 -2.022) 3.180 6.429 ( 3.957 -0.816 -0.158) 4.043 6.476 ( 2.026 1.119 -1.104) 2.565 6.507 ( 4.426 -1.209 -2.292) 5.129 6.700 ( 1.657 4.112 3.055) 5.384 6.757 ( 4.235 -1.634 2.663) 5.263 6.822 ( 3.736 3.618 0.580) 5.233 6.884 ( 5.758 -1.458 2.382) 6.399 6.996 ( -0.048 2.051 -0.340) 2.079 7.032 ( -1.319 -1.406 0.288) 1.949 7.227 ( 1.696 1.847 1.653) 3.003 7.277 ( 2.268 -2.183 -1.170) 3.359 7.445 ( 2.714 7.392 1.117) 7.954 7.542 ( 1.058 -0.425 -0.353) 1.194 7.587 ( 1.768 1.200 3.173) 3.826 7.618 ( 0.407 -1.459 3.090) 3.442 7.915 ( -0.705 -1.180 -0.845) 1.613 7.943 ( 0.739 -3.141 -2.893) 4.334 8.065 ( -3.267 -1.389 -0.896) 3.661 8.104 ( -3.063 -5.339 4.439) 7.589 8.327 ( -0.203 3.603 -2.195) 4.224 8.388 ( -0.718 -0.843 -2.068) 2.346 8.448 ( 3.947 1.700 -2.946) 5.210 8.493 ( 5.055 -1.676 -3.275) 6.252 8.650 ( -3.266 1.376 4.920) 6.063 8.663 ( -2.099 0.577 2.743) 3.501 8.854 ( -0.818 2.250 -0.180) 2.401 8.906 ( -0.759 -1.673 -1.875) 2.625 9.067 ( -0.261 0.811 2.802) 2.929 9.136 ( 0.672 -4.643 -0.172) 4.694 10.117 ( 2.758 4.899 -1.889) 5.931 10.158 ( 2.365 1.364 -3.681) 4.583 10.275 ( -1.724 2.535 1.290) 3.326 10.329 ( -2.144 -1.024 -1.947) 3.071 10.484 ( 0.459 0.101 1.482) 1.554 10.538 ( 0.978 -2.769 -1.310) 3.215 10.696 ( -1.180 -1.116 0.173) 1.633 10.750 ( -0.745 -3.503 -5.353) 6.441 10.990 ( -0.376 -1.711 -2.096) 2.732 11.000 ( 0.470 -2.609 -2.593) 3.708 11.105 ( -1.341 1.985 2.889) 3.753 11.159 ( -3.356 -3.049 3.484) 5.718 11.298 ( 4.070 1.893 -2.621) 5.198 11.323 ( 3.176 -0.287 -3.269) 4.567 11.402 ( 2.592 3.601 3.901) 5.908 11.493 ( 1.481 -4.333 4.224) 6.230 11.596 ( 0.934 0.527 0.258) 1.103 11.607 ( 1.798 -0.509 -1.856) 2.633 11.684 ( -1.669 3.009 0.403) 3.464 11.733 ( -1.760 -1.166 0.792) 2.255 11.837 ( 3.333 2.089 -1.760) 4.310 11.866 ( 2.842 -0.032 0.307) 2.859 11.930 ( -1.661 2.886 3.177) 4.602 11.978 ( -1.532 -1.091 2.398) 3.048 12.915 ( 1.680 3.602 0.691) 4.034 12.958 ( 3.287 0.102 -5.161) 6.119 13.021 ( 0.015 1.799 -1.867) 2.593 13.099 ( 2.497 -5.683 5.711) 8.435 14.109 ( -3.676 4.347 -1.844) 5.984 14.186 ( -1.335 2.870 3.517) 4.732 14.206 ( -3.616 -4.387 -1.174) 5.805 14.258 ( -2.577 -3.559 1.257) 4.570 14.925 ( -1.351 2.174 1.302) 2.872 14.949 ( -1.492 1.159 1.314) 2.301 15.010 ( -1.228 2.486 0.053) 2.773 15.086 ( -1.414 -3.932 -3.671) 5.562 16.562 ( -0.778 0.373 0.369) 0.938 16.567 ( -0.698 -0.083 0.360) 0.789 16.653 ( -0.844 0.277 -0.369) 0.962 16.657 ( -0.958 -0.092 -0.206) 0.984 16.896 ( 0.784 6.555 -1.378) 6.744 16.905 ( 1.131 6.037 1.258) 6.270 17.074 ( -0.261 -4.693 2.904) 5.525 17.109 ( 0.464 -6.900 -2.790) 7.458 22.903 ( 2.331 1.709 -0.322) 2.908 22.947 ( 3.072 -2.260 0.690) 3.875 23.288 ( 1.681 3.996 -3.359) 5.484 23.390 ( 2.510 -5.193 -4.644) 7.405 23.574 ( -3.412 3.470 1.542) 5.106 23.621 ( -2.705 -0.101 2.056) 3.399 23.769 ( 0.934 -1.347 -0.285) 1.664 23.783 ( 1.196 -3.710 1.617) 4.220 24.049 ( 4.011 4.888 -0.956) 6.394 24.121 ( 2.932 -0.666 1.775) 3.491 24.241 ( 5.860 6.153 1.352) 8.604 24.340 ( 7.288 -3.188 1.449) 8.085 24.719 ( 2.098 1.677 -5.097) 5.761 24.762 ( -3.237 -1.630 -8.911) 9.620 24.807 ( 0.075 7.721 1.895) 7.950 25.029 ( 2.935 -11.291 3.027) 12.053 25.308 ( -8.811 -0.399 -3.419) 9.459 25.351 ( -8.832 -4.962 -1.370) 10.223 25.895 ( 3.915 1.142 6.829) 7.954 25.923 ( 3.336 -1.272 8.715) 9.418 26.100 ( -3.691 4.292 -2.250) 6.092 26.180 ( -3.866 -3.005 -7.250) 8.748 27.332 ( 1.339 5.693 0.729) 5.893 27.428 ( 1.589 -3.307 4.285) 5.641 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -3.218 16.567 -1.139) 16.915 1.615 ( 2.143 6.656 5.215) 8.723 1.646 ( -1.133 3.587 -6.398) 7.422 1.793 ( 7.094 -0.612 -10.454) 12.649 1.836 ( 6.165 -8.384 -10.667) 14.902 1.882 ( -9.356 -5.153 0.542) 10.695 1.998 ( -9.551 5.981 8.064) 13.857 2.125 ( -2.241 -3.194 0.671) 3.959 2.354 ( 0.239 2.419 10.040) 10.330 2.429 ( -4.587 -1.483 5.146) 7.051 2.480 ( -9.546 2.159 2.940) 10.220 2.570 ( -10.389 3.688 4.594) 11.943 2.677 ( 3.538 -6.973 -3.247) 8.467 2.744 ( 0.749 -3.580 -1.889) 4.116 2.780 ( 0.125 0.004 -2.310) 2.313 2.809 ( 0.791 -5.249 0.213) 5.313 3.047 ( 2.952 4.381 3.917) 6.577 3.139 ( -0.453 5.799 0.511) 5.839 3.168 ( 0.882 -4.160 2.352) 4.859 3.230 ( 2.097 -3.186 2.581) 4.606 3.323 ( -0.631 3.443 -7.078) 7.897 3.366 ( -6.259 -3.191 -8.564) 11.077 3.459 ( -0.532 -1.490 -1.831) 2.420 3.481 ( -0.323 2.673 -0.590) 2.757 3.496 ( -0.742 0.176 -6.011) 6.059 3.562 ( -3.054 -3.058 1.665) 4.632 3.625 ( -1.702 0.123 0.594) 1.807 3.649 ( -5.069 -1.607 3.436) 6.331 3.727 ( -1.653 5.457 0.678) 5.742 3.800 ( 1.028 -1.234 1.689) 2.330 3.842 ( -3.126 -2.948 1.310) 4.492 3.888 ( 0.573 -2.753 -2.203) 3.572 4.103 ( 1.831 7.747 2.888) 8.468 4.150 ( -1.385 1.677 0.073) 2.176 4.177 ( -0.262 2.445 -2.894) 3.798 4.237 ( -2.731 1.387 3.258) 4.472 4.342 ( -0.296 3.337 3.192) 4.627 4.390 ( 2.523 -1.701 0.315) 3.059 4.426 ( -1.559 8.250 0.684) 8.424 4.475 ( 0.209 3.475 3.408) 4.872 4.563 ( -2.388 -0.308 -1.123) 2.657 4.647 ( -2.977 0.788 -3.839) 4.921 4.648 ( 3.084 -5.096 4.263) 7.325 4.674 ( -6.285 1.457 0.344) 6.460 4.796 ( 5.118 3.865 -8.706) 10.813 4.841 ( -5.984 1.384 -1.226) 6.263 4.906 ( -1.896 -1.708 0.104) 2.555 4.978 ( -2.248 2.437 -0.260) 3.326 5.001 ( -3.349 -0.782 -1.944) 3.950 5.054 ( -0.209 -2.729 -1.315) 3.037 5.123 ( 3.886 -6.405 -3.335) 8.201 5.178 ( 4.509 0.111 -0.508) 4.539 5.195 ( -3.847 -7.505 0.697) 8.462 5.232 ( 5.020 -3.807 0.384) 6.312 5.361 ( -0.778 2.104 7.993) 8.302 5.420 ( 2.115 -4.178 9.814) 10.874 5.527 ( -1.504 0.523 1.874) 2.459 5.544 ( -2.830 1.512 0.234) 3.217 5.610 ( -2.037 -1.882 -1.795) 3.304 5.678 ( 3.425 -5.649 1.881) 6.869 5.774 ( -2.581 4.278 -6.433) 8.146 5.849 ( 0.304 -2.269 -4.956) 5.459 5.896 ( 3.842 4.772 2.657) 6.678 5.983 ( -1.125 -3.202 -0.470) 3.427 6.039 ( 3.287 1.966 -2.150) 4.392 6.127 ( 5.717 -4.530 -2.862) 7.835 6.259 ( 2.009 1.903 -1.069) 2.967 6.285 ( 2.617 -0.667 0.054) 2.701 6.379 ( 4.367 3.453 -1.619) 5.798 6.425 ( 0.782 2.058 -3.034) 3.748 6.455 ( 0.460 -1.975 0.947) 2.238 6.481 ( 1.135 -2.196 -3.444) 4.239 6.548 ( 3.642 1.437 2.084) 4.436 6.578 ( 4.556 -0.281 -0.132) 4.566 6.709 ( -1.597 4.774 3.539) 6.153 6.780 ( -1.463 -1.435 1.194) 2.372 6.889 ( -0.604 2.070 4.667) 5.141 6.939 ( -1.631 -1.888 1.987) 3.189 6.986 ( 1.439 2.529 -1.519) 3.283 7.031 ( 4.014 -0.915 -1.036) 4.246 7.232 ( -0.832 2.440 0.877) 2.723 7.299 ( -0.688 -3.418 -0.660) 3.548 7.449 ( -1.432 2.513 1.201) 3.131 7.479 ( -3.271 -1.352 -1.798) 3.970 7.664 ( 3.193 3.255 5.658) 7.267 7.687 ( 4.906 0.424 6.360) 8.043 7.903 ( -0.842 1.381 3.441) 3.802 7.954 ( -0.086 -1.886 -3.632) 4.094 8.029 ( 0.346 -2.989 -5.558) 6.320 8.062 ( -2.087 -5.439 3.658) 6.879 8.315 ( -0.443 2.648 -1.769) 3.215 8.368 ( -1.050 -1.888 -2.195) 3.080 8.529 ( 4.552 4.090 -4.330) 7.496 8.565 ( 0.871 0.955 2.218) 2.567 8.593 ( -1.829 0.459 2.293) 2.968 8.637 ( -0.430 -2.013 -0.387) 2.095 8.839 ( -0.509 1.575 0.019) 1.655 8.879 ( -1.486 -1.524 -1.327) 2.508 9.078 ( 0.852 0.743 2.149) 2.428 9.143 ( 0.184 -4.663 -1.273) 4.837 10.155 ( 0.954 6.205 0.934) 6.347 10.180 ( 0.365 3.576 -1.305) 3.824 10.251 ( -1.192 0.945 1.688) 2.272 10.306 ( 0.011 -1.690 -4.418) 4.730 10.502 ( 0.759 -0.684 3.054) 3.221 10.557 ( 0.908 -4.622 -0.553) 4.743 10.673 ( -1.034 -1.235 -0.433) 1.668 10.736 ( 0.097 -4.798 -6.150) 7.801 10.996 ( 1.559 -0.532 -2.607) 3.084 11.017 ( 1.687 -2.100 -3.190) 4.175 11.054 ( -3.783 -0.620 3.832) 5.420 11.079 ( -4.492 -3.025 1.943) 5.754 11.380 ( 4.523 2.649 -2.874) 5.978 11.402 ( 3.413 2.459 -2.307) 4.798 11.456 ( 2.616 0.269 2.777) 3.825 11.499 ( -1.246 -1.960 4.132) 4.740 11.610 ( 0.628 1.483 1.552) 2.236 11.638 ( 1.027 -0.668 1.474) 1.917 11.666 ( -0.212 1.875 -1.553) 2.443 11.703 ( -0.899 -1.019 -1.242) 1.841 11.887 ( 0.535 3.938 2.014) 4.456 11.910 ( 2.013 1.291 0.569) 2.458 11.929 ( 1.552 0.051 0.428) 1.611 11.953 ( -0.784 -1.758 0.746) 2.064 12.932 ( -0.852 5.120 4.726) 7.020 13.012 ( -0.289 1.083 -3.717) 3.882 13.036 ( 5.430 -0.753 -5.876) 8.036 13.113 ( -2.183 -7.376 5.353) 9.371 14.059 ( -0.571 3.921 -0.481) 3.991 14.147 ( -1.933 -4.042 -0.569) 4.517 14.150 ( -2.816 1.883 2.576) 4.256 14.200 ( -3.303 -2.699 0.504) 4.296 14.907 ( -0.621 1.659 1.996) 2.669 14.933 ( -0.441 0.001 2.189) 2.233 14.986 ( -0.984 3.259 -1.602) 3.763 15.049 ( -1.818 -2.328 -3.992) 4.966 16.551 ( -0.406 0.346 0.271) 0.599 16.556 ( -0.484 -0.121 0.125) 0.514 16.638 ( -0.679 0.120 0.064) 0.693 16.641 ( -0.590 -0.090 -0.312) 0.673 16.908 ( 0.197 6.638 1.345) 6.776 16.925 ( 1.037 7.135 -1.078) 7.290 17.070 ( -0.606 -5.015 3.403) 6.091 17.118 ( 0.802 -7.238 -3.084) 7.909 22.970 ( 4.688 3.034 -0.654) 5.622 23.027 ( 4.464 -1.405 0.682) 4.729 23.253 ( -4.233 2.491 0.851) 4.985 23.346 ( -6.109 -5.210 1.664) 8.199 23.540 ( 0.716 3.167 -0.985) 3.393 23.622 ( 0.122 -4.777 -3.920) 6.181 23.842 ( 6.157 1.673 1.064) 6.468 23.875 ( 8.176 -1.603 1.470) 8.461 24.088 ( 0.476 4.101 -1.647) 4.445 24.154 ( 0.277 -1.016 -1.089) 1.515 24.382 ( 5.745 4.791 -0.696) 7.513 24.453 ( 0.557 -1.994 -0.825) 2.228 24.586 ( -5.411 5.207 -5.242) 9.158 24.675 ( -1.134 -3.419 -4.779) 5.985 24.885 ( -0.303 5.193 -0.593) 5.236 25.052 ( -7.270 -9.257 -1.930) 11.928 25.192 ( 2.325 -0.511 1.813) 2.993 25.225 ( -1.877 -3.474 3.601) 5.345 25.920 ( -3.434 1.977 0.860) 4.055 25.948 ( -1.913 -0.629 4.091) 4.559 26.077 ( 2.124 2.025 2.086) 3.601 26.122 ( 0.234 -2.304 -1.204) 2.610 27.388 ( 4.031 3.480 0.091) 5.326 27.455 ( 0.622 -2.674 2.658) 3.821 =================== 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 3/33600 10.0 415.641 212.081 406.169 0.000 19.588 0.000 3/33600 20.0 44.386 22.072 42.513 0.000 -2.956 0.000 3/33600 30.0 15.136 7.754 14.841 0.000 -1.287 0.000 3/33600 40.0 7.810 4.167 7.862 0.000 -0.673 0.000 3/33600 50.0 4.933 2.732 5.071 0.000 -0.411 0.000 3/33600 60.0 3.510 2.003 3.664 0.000 -0.282 0.000 3/33600 70.0 2.697 1.575 2.845 0.000 -0.211 0.000 3/33600 80.0 2.183 1.298 2.321 0.000 -0.167 0.000 3/33600 90.0 1.833 1.106 1.960 0.000 -0.139 0.000 3/33600 100.0 1.580 0.964 1.698 0.000 -0.119 0.000 3/33600 110.0 1.390 0.857 1.499 0.000 -0.104 0.000 3/33600 120.0 1.243 0.772 1.344 0.000 -0.093 0.000 3/33600 130.0 1.125 0.704 1.219 0.000 -0.085 0.000 3/33600 140.0 1.028 0.647 1.117 0.000 -0.078 0.000 3/33600 150.0 0.948 0.600 1.032 0.000 -0.072 0.000 3/33600 160.0 0.880 0.560 0.960 0.000 -0.067 0.000 3/33600 170.0 0.823 0.526 0.898 0.000 -0.063 0.000 3/33600 180.0 0.773 0.496 0.844 0.000 -0.059 0.000 3/33600 190.0 0.729 0.470 0.797 0.000 -0.056 0.000 3/33600 200.0 0.691 0.447 0.756 0.000 -0.053 0.000 3/33600 210.0 0.657 0.427 0.719 0.000 -0.051 0.000 3/33600 220.0 0.627 0.408 0.686 0.000 -0.048 0.000 3/33600 230.0 0.600 0.392 0.657 0.000 -0.046 0.000 3/33600 240.0 0.575 0.377 0.630 0.000 -0.044 0.000 3/33600 250.0 0.553 0.363 0.606 0.000 -0.043 0.000 3/33600 260.0 0.532 0.351 0.583 0.000 -0.041 0.000 3/33600 270.0 0.514 0.339 0.563 0.000 -0.039 0.000 3/33600 280.0 0.496 0.328 0.544 0.000 -0.038 0.000 3/33600 290.0 0.480 0.318 0.526 0.000 -0.037 0.000 3/33600 300.0 0.465 0.309 0.510 0.000 -0.036 0.000 3/33600 310.0 0.451 0.301 0.495 0.000 -0.035 0.000 3/33600 320.0 0.438 0.293 0.481 0.000 -0.033 0.000 3/33600 330.0 0.426 0.285 0.467 0.000 -0.032 0.000 3/33600 340.0 0.415 0.278 0.455 0.000 -0.032 0.000 3/33600 350.0 0.404 0.271 0.443 0.000 -0.031 0.000 3/33600 360.0 0.394 0.264 0.432 0.000 -0.030 0.000 3/33600 370.0 0.384 0.258 0.421 0.000 -0.029 0.000 3/33600 380.0 0.375 0.253 0.411 0.000 -0.028 0.000 3/33600 390.0 0.366 0.247 0.402 0.000 -0.028 0.000 3/33600 400.0 0.358 0.242 0.393 0.000 -0.027 0.000 3/33600 410.0 0.350 0.237 0.384 0.000 -0.026 0.000 3/33600 420.0 0.342 0.232 0.376 0.000 -0.026 0.000 3/33600 430.0 0.335 0.227 0.368 0.000 -0.025 0.000 3/33600 440.0 0.328 0.223 0.360 0.000 -0.024 0.000 3/33600 450.0 0.322 0.218 0.353 0.000 -0.024 0.000 3/33600 460.0 0.315 0.214 0.346 0.000 -0.023 0.000 3/33600 470.0 0.309 0.210 0.339 0.000 -0.023 0.000 3/33600 480.0 0.303 0.206 0.333 0.000 -0.022 0.000 3/33600 490.0 0.298 0.203 0.327 0.000 -0.022 0.000 3/33600 500.0 0.292 0.199 0.321 0.000 -0.022 0.000 3/33600 510.0 0.287 0.196 0.315 0.000 -0.021 0.000 3/33600 520.0 0.282 0.193 0.310 0.000 -0.021 0.000 3/33600 530.0 0.277 0.189 0.304 0.000 -0.020 0.000 3/33600 540.0 0.272 0.186 0.299 0.000 -0.020 0.000 3/33600 550.0 0.268 0.183 0.294 0.000 -0.020 0.000 3/33600 560.0 0.263 0.180 0.289 0.000 -0.019 0.000 3/33600 570.0 0.259 0.177 0.285 0.000 -0.019 0.000 3/33600 580.0 0.255 0.175 0.280 0.000 -0.019 0.000 3/33600 590.0 0.251 0.172 0.276 0.000 -0.018 0.000 3/33600 600.0 0.247 0.170 0.271 0.000 -0.018 0.000 3/33600 610.0 0.243 0.167 0.267 0.000 -0.018 0.000 3/33600 620.0 0.240 0.165 0.263 0.000 -0.017 0.000 3/33600 630.0 0.236 0.162 0.259 0.000 -0.017 0.000 3/33600 640.0 0.233 0.160 0.256 0.000 -0.017 0.000 3/33600 650.0 0.229 0.158 0.252 0.000 -0.017 0.000 3/33600 660.0 0.226 0.156 0.248 0.000 -0.016 0.000 3/33600 670.0 0.223 0.153 0.245 0.000 -0.016 0.000 3/33600 680.0 0.220 0.151 0.242 0.000 -0.016 0.000 3/33600 690.0 0.217 0.149 0.238 0.000 -0.016 0.000 3/33600 700.0 0.214 0.147 0.235 0.000 -0.015 0.000 3/33600 710.0 0.211 0.145 0.232 0.000 -0.015 0.000 3/33600 720.0 0.208 0.144 0.229 0.000 -0.015 0.000 3/33600 730.0 0.206 0.142 0.226 0.000 -0.015 0.000 3/33600 740.0 0.203 0.140 0.223 0.000 -0.015 0.000 3/33600 750.0 0.200 0.138 0.220 0.000 -0.014 0.000 3/33600 760.0 0.198 0.137 0.218 0.000 -0.014 0.000 3/33600 770.0 0.195 0.135 0.215 0.000 -0.014 0.000 3/33600 780.0 0.193 0.133 0.212 0.000 -0.014 0.000 3/33600 790.0 0.191 0.132 0.210 0.000 -0.014 0.000 3/33600 800.0 0.188 0.130 0.207 0.000 -0.014 0.000 3/33600 810.0 0.186 0.129 0.205 0.000 -0.013 0.000 3/33600 820.0 0.184 0.127 0.202 0.000 -0.013 0.000 3/33600 830.0 0.182 0.126 0.200 0.000 -0.013 0.000 3/33600 840.0 0.180 0.124 0.198 0.000 -0.013 0.000 3/33600 850.0 0.178 0.123 0.196 0.000 -0.013 0.000 3/33600 860.0 0.176 0.122 0.193 0.000 -0.013 0.000 3/33600 870.0 0.174 0.120 0.191 0.000 -0.012 0.000 3/33600 880.0 0.172 0.119 0.189 0.000 -0.012 0.000 3/33600 890.0 0.170 0.118 0.187 0.000 -0.012 0.000 3/33600 900.0 0.168 0.117 0.185 0.000 -0.012 0.000 3/33600 910.0 0.167 0.115 0.183 0.000 -0.012 0.000 3/33600 920.0 0.165 0.114 0.181 0.000 -0.012 0.000 3/33600 930.0 0.163 0.113 0.179 0.000 -0.012 0.000 3/33600 940.0 0.161 0.112 0.178 0.000 -0.012 0.000 3/33600 950.0 0.160 0.111 0.176 0.000 -0.011 0.000 3/33600 960.0 0.158 0.110 0.174 0.000 -0.011 0.000 3/33600 970.0 0.157 0.109 0.172 0.000 -0.011 0.000 3/33600 980.0 0.155 0.108 0.171 0.000 -0.011 0.000 3/33600 990.0 0.154 0.107 0.169 0.000 -0.011 0.000 3/33600 1000.0 0.152 0.106 0.167 0.000 -0.011 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:46:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|