----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:32:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.100942463082285 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): *1 Sr 0.72109283381090 0.10881231524613 0.22537272387655 87.620 2 Sr 0.27890716618910 0.89118768475387 0.77462727612345 87.620 3 Sr 0.72109283381090 0.39118768475387 0.72537272387655 87.620 *4 Sr 0.70358565679513 0.84597765476990 0.69889856283361 87.620 5 Sr 0.27890716618910 0.60881231524613 0.27462727612345 87.620 6 Sr 0.29641434320487 0.34597765476990 0.80110143716639 87.620 7 Sr 0.70358565679513 0.65402234523010 0.19889856283361 87.620 8 Sr 0.29641434320487 0.15402234523010 0.30110143716639 87.620 *9 Ga 0.90388534430730 0.36509478493403 0.09312189361085 69.723 *10 Ga 0.15185657806188 0.36301342511819 0.43219027454316 69.723 11 Ga 0.15185657806188 0.13698657488181 0.93219027454315 69.723 12 Ga 0.90388534430730 0.13490521506597 0.59312189361085 69.723 *13 Ga 0.75841965451245 0.11415597251904 0.92874635395949 69.723 *14 Ga 0.33178738907215 0.11478350738148 0.59513994899280 69.723 15 Ga 0.66821261092785 0.61478350738148 0.90486005100720 69.723 16 Ga 0.84814342193812 0.86301342511819 0.06780972545684 69.723 17 Ga 0.24158034548755 0.61415597251904 0.57125364604051 69.723 18 Ga 0.66821261092785 0.88521649261852 0.40486005100720 69.723 19 Ga 0.33178738907215 0.38521649261852 0.09513994899280 69.723 20 Ga 0.09611465569270 0.86509478493403 0.40687810638915 69.723 21 Ga 0.75841965451245 0.38584402748096 0.42874635395949 69.723 22 Ga 0.24158034548755 0.88584402748096 0.07125364604051 69.723 23 Ga 0.84814342193812 0.63698657488181 0.56780972545685 69.723 24 Ga 0.09611465569270 0.63490521506597 0.90687810638915 69.723 *25 O 0.39681547473067 0.25864633490391 0.54507892903597 15.999 *26 O 0.03759834326914 0.71848002460617 0.74879055145138 15.999 *27 O 0.74282642459968 0.47967655432205 0.55170850393503 15.999 28 O 0.96240165673086 0.21848002460617 0.75120944854862 15.999 *29 O 0.17763783020684 0.47165712198540 0.91845366396097 15.999 30 O 0.82236216979316 0.97165712198540 0.58154633603903 15.999 *31 O 0.19130045760691 0.11748588373521 0.66949081547603 15.999 32 O 0.25717357540031 0.52032344567795 0.44829149606497 15.999 *33 O 0.04968016167570 0.36430645285362 0.52975673308860 15.999 34 O 0.60318452526933 0.75864633490391 0.95492107096403 15.999 35 O 0.82236216979316 0.52834287801460 0.08154633603903 15.999 *36 O 0.58431386666587 0.03427331697486 0.74885982551964 15.999 37 O 0.03759834326914 0.78151997539383 0.24879055145138 15.999 38 O 0.25717357540031 0.97967655432205 0.94829149606497 15.999 39 O 0.58431386666587 0.46572668302514 0.24885982551964 15.999 40 O 0.95031983832430 0.86430645285362 0.97024326691140 15.999 41 O 0.60318452526933 0.74135366509609 0.45492107096403 15.999 *42 O 0.31537402932578 0.78493083927068 0.58538291441212 15.999 43 O 0.68462597067422 0.28493083927068 0.91461708558788 15.999 44 O 0.74282642459968 0.02032344567795 0.05170850393503 15.999 45 O 0.31537402932578 0.71506916072932 0.08538291441213 15.999 46 O 0.80869954239309 0.61748588373521 0.83050918452397 15.999 47 O 0.96240165673086 0.28151997539383 0.25120944854862 15.999 48 O 0.41568613333413 0.53427331697486 0.75114017448036 15.999 49 O 0.17763783020684 0.02834287801460 0.41845366396097 15.999 50 O 0.04968016167570 0.13569354714638 0.02975673308860 15.999 51 O 0.95031983832430 0.63569354714638 0.47024326691140 15.999 52 O 0.39681547473067 0.24135366509609 0.04507892903597 15.999 53 O 0.41568613333413 0.96572668302514 0.25114017448036 15.999 54 O 0.68462597067422 0.21506916072932 0.41461708558788 15.999 55 O 0.19130045760691 0.38251411626479 0.16949081547603 15.999 56 O 0.80869954239309 0.88251411626479 0.33050918452397 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.100942463082285 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): *1 Sr 0.72109283381090 0.10881231524613 0.22537272387655 87.620 > 1 2 Sr 0.27890716618910 0.89118768475387 0.77462727612345 87.620 > 2 3 Sr 0.72109283381090 0.39118768475387 0.72537272387655 87.620 > 3 *4 Sr 0.70358565679513 0.84597765476990 0.69889856283361 87.620 > 4 5 Sr 0.27890716618910 0.60881231524613 0.27462727612345 87.620 > 5 6 Sr 0.29641434320487 0.34597765476990 0.80110143716639 87.620 > 6 7 Sr 0.70358565679513 0.65402234523010 0.19889856283361 87.620 > 7 8 Sr 0.29641434320487 0.15402234523010 0.30110143716639 87.620 > 8 *9 Ga 0.90388534430730 0.36509478493403 0.09312189361085 69.723 > 9 *10 Ga 0.15185657806188 0.36301342511819 0.43219027454316 69.723 > 10 11 Ga 0.15185657806188 0.13698657488181 0.93219027454315 69.723 > 11 12 Ga 0.90388534430730 0.13490521506597 0.59312189361085 69.723 > 12 *13 Ga 0.75841965451245 0.11415597251904 0.92874635395949 69.723 > 13 *14 Ga 0.33178738907215 0.11478350738148 0.59513994899280 69.723 > 14 15 Ga 0.66821261092785 0.61478350738148 0.90486005100720 69.723 > 15 16 Ga 0.84814342193812 0.86301342511819 0.06780972545684 69.723 > 16 17 Ga 0.24158034548755 0.61415597251904 0.57125364604051 69.723 > 17 18 Ga 0.66821261092785 0.88521649261852 0.40486005100720 69.723 > 18 19 Ga 0.33178738907215 0.38521649261852 0.09513994899280 69.723 > 19 20 Ga 0.09611465569270 0.86509478493403 0.40687810638915 69.723 > 20 21 Ga 0.75841965451245 0.38584402748096 0.42874635395949 69.723 > 21 22 Ga 0.24158034548755 0.88584402748096 0.07125364604051 69.723 > 22 23 Ga 0.84814342193812 0.63698657488181 0.56780972545685 69.723 > 23 24 Ga 0.09611465569270 0.63490521506597 0.90687810638915 69.723 > 24 *25 O 0.39681547473067 0.25864633490391 0.54507892903597 15.999 > 25 *26 O 0.03759834326914 0.71848002460617 0.74879055145138 15.999 > 26 *27 O 0.74282642459968 0.47967655432205 0.55170850393503 15.999 > 27 28 O 0.96240165673086 0.21848002460617 0.75120944854862 15.999 > 28 *29 O 0.17763783020684 0.47165712198540 0.91845366396097 15.999 > 29 30 O 0.82236216979316 0.97165712198540 0.58154633603903 15.999 > 30 *31 O 0.19130045760691 0.11748588373521 0.66949081547603 15.999 > 31 32 O 0.25717357540031 0.52032344567795 0.44829149606497 15.999 > 32 *33 O 0.04968016167570 0.36430645285362 0.52975673308860 15.999 > 33 34 O 0.60318452526933 0.75864633490391 0.95492107096403 15.999 > 34 35 O 0.82236216979316 0.52834287801460 0.08154633603903 15.999 > 35 *36 O 0.58431386666587 0.03427331697486 0.74885982551964 15.999 > 36 37 O 0.03759834326914 0.78151997539383 0.24879055145138 15.999 > 37 38 O 0.25717357540031 0.97967655432205 0.94829149606497 15.999 > 38 39 O 0.58431386666587 0.46572668302514 0.24885982551964 15.999 > 39 40 O 0.95031983832430 0.86430645285362 0.97024326691140 15.999 > 40 41 O 0.60318452526933 0.74135366509609 0.45492107096403 15.999 > 41 *42 O 0.31537402932578 0.78493083927068 0.58538291441212 15.999 > 42 43 O 0.68462597067422 0.28493083927068 0.91461708558788 15.999 > 43 44 O 0.74282642459968 0.02032344567795 0.05170850393503 15.999 > 44 45 O 0.31537402932578 0.71506916072932 0.08538291441213 15.999 > 45 46 O 0.80869954239309 0.61748588373521 0.83050918452397 15.999 > 46 47 O 0.96240165673086 0.28151997539383 0.25120944854862 15.999 > 47 48 O 0.41568613333413 0.53427331697486 0.75114017448036 15.999 > 48 49 O 0.17763783020684 0.02834287801460 0.41845366396097 15.999 > 49 50 O 0.04968016167570 0.13569354714638 0.02975673308860 15.999 > 50 51 O 0.95031983832430 0.63569354714638 0.47024326691140 15.999 > 51 52 O 0.39681547473067 0.24135366509609 0.04507892903597 15.999 > 52 53 O 0.41568613333413 0.96572668302514 0.25114017448036 15.999 > 53 54 O 0.68462597067422 0.21506916072932 0.41461708558788 15.999 > 54 55 O 0.19130045760691 0.38251411626479 0.16949081547603 15.999 > 55 56 O 0.80869954239309 0.88251411626479 0.33050918452397 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.201884926164571 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): *1 Sr 0.36054641690545 0.10881231524613 0.22537272387655 87.620 > 1 2 Sr 0.86054641690545 0.10881231524613 0.22537272387655 87.620 > 1 3 Sr 0.13945358309455 0.89118768475387 0.77462727612345 87.620 > 2 4 Sr 0.63945358309455 0.89118768475387 0.77462727612345 87.620 > 2 5 Sr 0.36054641690545 0.39118768475387 0.72537272387655 87.620 > 3 6 Sr 0.86054641690545 0.39118768475387 0.72537272387655 87.620 > 3 *7 Sr 0.35179282839757 0.84597765476990 0.69889856283361 87.620 > 4 8 Sr 0.85179282839757 0.84597765476990 0.69889856283361 87.620 > 4 9 Sr 0.13945358309455 0.60881231524613 0.27462727612345 87.620 > 5 10 Sr 0.63945358309455 0.60881231524613 0.27462727612345 87.620 > 5 11 Sr 0.14820717160243 0.34597765476990 0.80110143716639 87.620 > 6 12 Sr 0.64820717160243 0.34597765476990 0.80110143716639 87.620 > 6 13 Sr 0.35179282839757 0.65402234523010 0.19889856283361 87.620 > 7 14 Sr 0.85179282839757 0.65402234523010 0.19889856283361 87.620 > 7 15 Sr 0.14820717160243 0.15402234523010 0.30110143716639 87.620 > 8 16 Sr 0.64820717160243 0.15402234523010 0.30110143716639 87.620 > 8 *17 Ga 0.45194267215365 0.36509478493403 0.09312189361085 69.723 > 9 18 Ga 0.95194267215365 0.36509478493403 0.09312189361085 69.723 > 9 *19 Ga 0.07592828903094 0.36301342511819 0.43219027454316 69.723 > 10 20 Ga 0.57592828903094 0.36301342511819 0.43219027454316 69.723 > 10 21 Ga 0.07592828903094 0.13698657488181 0.93219027454315 69.723 > 11 22 Ga 0.57592828903094 0.13698657488181 0.93219027454315 69.723 > 11 23 Ga 0.45194267215365 0.13490521506597 0.59312189361085 69.723 > 12 24 Ga 0.95194267215365 0.13490521506597 0.59312189361085 69.723 > 12 *25 Ga 0.37920982725622 0.11415597251904 0.92874635395949 69.723 > 13 26 Ga 0.87920982725622 0.11415597251904 0.92874635395949 69.723 > 13 *27 Ga 0.16589369453608 0.11478350738148 0.59513994899280 69.723 > 14 28 Ga 0.66589369453608 0.11478350738148 0.59513994899280 69.723 > 14 29 Ga 0.33410630546392 0.61478350738148 0.90486005100720 69.723 > 15 30 Ga 0.83410630546392 0.61478350738148 0.90486005100720 69.723 > 15 31 Ga 0.42407171096906 0.86301342511819 0.06780972545684 69.723 > 16 32 Ga 0.92407171096906 0.86301342511819 0.06780972545684 69.723 > 16 33 Ga 0.12079017274378 0.61415597251904 0.57125364604051 69.723 > 17 34 Ga 0.62079017274378 0.61415597251904 0.57125364604051 69.723 > 17 35 Ga 0.33410630546392 0.88521649261852 0.40486005100720 69.723 > 18 36 Ga 0.83410630546392 0.88521649261852 0.40486005100720 69.723 > 18 37 Ga 0.16589369453608 0.38521649261852 0.09513994899280 69.723 > 19 38 Ga 0.66589369453608 0.38521649261852 0.09513994899280 69.723 > 19 39 Ga 0.04805732784635 0.86509478493403 0.40687810638915 69.723 > 20 40 Ga 0.54805732784635 0.86509478493403 0.40687810638915 69.723 > 20 41 Ga 0.37920982725622 0.38584402748096 0.42874635395949 69.723 > 21 42 Ga 0.87920982725622 0.38584402748096 0.42874635395949 69.723 > 21 43 Ga 0.12079017274378 0.88584402748096 0.07125364604051 69.723 > 22 44 Ga 0.62079017274378 0.88584402748096 0.07125364604051 69.723 > 22 45 Ga 0.42407171096906 0.63698657488181 0.56780972545685 69.723 > 23 46 Ga 0.92407171096906 0.63698657488181 0.56780972545685 69.723 > 23 47 Ga 0.04805732784635 0.63490521506597 0.90687810638915 69.723 > 24 48 Ga 0.54805732784635 0.63490521506597 0.90687810638915 69.723 > 24 *49 O 0.19840773736533 0.25864633490391 0.54507892903597 15.999 > 25 50 O 0.69840773736533 0.25864633490391 0.54507892903597 15.999 > 25 *51 O 0.01879917163457 0.71848002460617 0.74879055145138 15.999 > 26 52 O 0.51879917163457 0.71848002460617 0.74879055145138 15.999 > 26 *53 O 0.37141321229984 0.47967655432205 0.55170850393503 15.999 > 27 54 O 0.87141321229984 0.47967655432205 0.55170850393503 15.999 > 27 55 O 0.48120082836543 0.21848002460617 0.75120944854862 15.999 > 28 56 O 0.98120082836543 0.21848002460617 0.75120944854862 15.999 > 28 *57 O 0.08881891510342 0.47165712198540 0.91845366396097 15.999 > 29 58 O 0.58881891510342 0.47165712198540 0.91845366396097 15.999 > 29 59 O 0.41118108489658 0.97165712198540 0.58154633603903 15.999 > 30 60 O 0.91118108489658 0.97165712198540 0.58154633603903 15.999 > 30 *61 O 0.09565022880346 0.11748588373521 0.66949081547603 15.999 > 31 62 O 0.59565022880346 0.11748588373521 0.66949081547603 15.999 > 31 63 O 0.12858678770016 0.52032344567795 0.44829149606497 15.999 > 32 64 O 0.62858678770016 0.52032344567795 0.44829149606497 15.999 > 32 *65 O 0.02484008083785 0.36430645285362 0.52975673308860 15.999 > 33 66 O 0.52484008083785 0.36430645285362 0.52975673308860 15.999 > 33 67 O 0.30159226263467 0.75864633490391 0.95492107096403 15.999 > 34 68 O 0.80159226263467 0.75864633490391 0.95492107096403 15.999 > 34 69 O 0.41118108489658 0.52834287801460 0.08154633603903 15.999 > 35 70 O 0.91118108489658 0.52834287801460 0.08154633603903 15.999 > 35 *71 O 0.29215693333293 0.03427331697486 0.74885982551964 15.999 > 36 72 O 0.79215693333293 0.03427331697486 0.74885982551964 15.999 > 36 73 O 0.01879917163457 0.78151997539383 0.24879055145138 15.999 > 37 74 O 0.51879917163457 0.78151997539383 0.24879055145138 15.999 > 37 75 O 0.12858678770016 0.97967655432205 0.94829149606497 15.999 > 38 76 O 0.62858678770016 0.97967655432205 0.94829149606497 15.999 > 38 77 O 0.29215693333293 0.46572668302514 0.24885982551964 15.999 > 39 78 O 0.79215693333293 0.46572668302514 0.24885982551964 15.999 > 39 79 O 0.47515991916215 0.86430645285362 0.97024326691140 15.999 > 40 80 O 0.97515991916215 0.86430645285362 0.97024326691140 15.999 > 40 81 O 0.30159226263467 0.74135366509609 0.45492107096403 15.999 > 41 82 O 0.80159226263467 0.74135366509609 0.45492107096403 15.999 > 41 *83 O 0.15768701466289 0.78493083927068 0.58538291441212 15.999 > 42 84 O 0.65768701466289 0.78493083927068 0.58538291441212 15.999 > 42 85 O 0.34231298533711 0.28493083927068 0.91461708558788 15.999 > 43 86 O 0.84231298533711 0.28493083927068 0.91461708558788 15.999 > 43 87 O 0.37141321229984 0.02032344567795 0.05170850393503 15.999 > 44 88 O 0.87141321229984 0.02032344567795 0.05170850393503 15.999 > 44 89 O 0.15768701466289 0.71506916072932 0.08538291441213 15.999 > 45 90 O 0.65768701466289 0.71506916072932 0.08538291441213 15.999 > 45 91 O 0.40434977119654 0.61748588373521 0.83050918452397 15.999 > 46 92 O 0.90434977119654 0.61748588373521 0.83050918452397 15.999 > 46 93 O 0.48120082836543 0.28151997539383 0.25120944854862 15.999 > 47 94 O 0.98120082836543 0.28151997539383 0.25120944854862 15.999 > 47 95 O 0.20784306666707 0.53427331697486 0.75114017448036 15.999 > 48 96 O 0.70784306666707 0.53427331697486 0.75114017448036 15.999 > 48 97 O 0.08881891510342 0.02834287801460 0.41845366396097 15.999 > 49 98 O 0.58881891510342 0.02834287801460 0.41845366396097 15.999 > 49 99 O 0.02484008083785 0.13569354714638 0.02975673308860 15.999 > 50 100 O 0.52484008083785 0.13569354714638 0.02975673308860 15.999 > 50 101 O 0.47515991916215 0.63569354714638 0.47024326691140 15.999 > 51 102 O 0.97515991916215 0.63569354714638 0.47024326691140 15.999 > 51 103 O 0.19840773736533 0.24135366509609 0.04507892903597 15.999 > 52 104 O 0.69840773736533 0.24135366509609 0.04507892903597 15.999 > 52 105 O 0.20784306666707 0.96572668302514 0.25114017448036 15.999 > 53 106 O 0.70784306666707 0.96572668302514 0.25114017448036 15.999 > 53 107 O 0.34231298533711 0.21506916072932 0.41461708558788 15.999 > 54 108 O 0.84231298533711 0.21506916072932 0.41461708558788 15.999 > 54 109 O 0.09565022880346 0.38251411626479 0.16949081547603 15.999 > 55 110 O 0.59565022880346 0.38251411626479 0.16949081547603 15.999 > 55 111 O 0.40434977119654 0.88251411626479 0.33050918452397 15.999 > 56 112 O 0.90434977119654 0.88251411626479 0.33050918452397 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3916545 0.0000000 -0.0129431 0.0000000 3.5654509 0.0000000 -0.0129435 0.0000000 3.5131971 -------------------------- Born effective charges -------------------------- 1 Sr 2.6164755 -0.1339868 -0.0084356 -0.0851065 2.5677930 -0.0230047 -0.0234193 -0.0471847 2.4257252 2 Sr 2.6164755 -0.1339868 -0.0084356 -0.0851065 2.5677930 -0.0230047 -0.0234193 -0.0471847 2.4257252 3 Sr 2.6164755 0.1339868 -0.0084356 0.0851065 2.5677930 0.0230047 -0.0234193 0.0471847 2.4257252 4 Sr 2.5639725 -0.1442364 -0.2106607 -0.1371117 2.4198370 0.0263013 -0.1483663 0.0278284 2.5148259 5 Sr 2.6164755 0.1339868 -0.0084356 0.0851065 2.5677930 0.0230047 -0.0234193 0.0471847 2.4257252 6 Sr 2.5639725 0.1442364 -0.2106607 0.1371117 2.4198370 -0.0263013 -0.1483663 -0.0278284 2.5148259 7 Sr 2.5639725 0.1442364 -0.2106607 0.1371117 2.4198370 -0.0263013 -0.1483663 -0.0278284 2.5148259 8 Sr 2.5639725 -0.1442364 -0.2106607 -0.1371117 2.4198370 0.0263013 -0.1483663 0.0278284 2.5148259 9 Ga 2.4982812 -0.0113579 0.1134380 -0.0757975 2.8133393 0.2445798 0.0124014 -0.2381939 2.7177969 10 Ga 2.3792455 -0.1359484 -0.3921374 -0.0985767 2.7473009 0.0029530 0.0239842 0.2125711 2.6484469 11 Ga 2.3792455 0.1359484 -0.3921374 0.0985767 2.7473009 -0.0029530 0.0239842 -0.2125711 2.6484469 12 Ga 2.4982812 0.0113579 0.1134380 0.0757975 2.8133393 -0.2445798 0.0124014 0.2381939 2.7177969 13 Ga 2.4317588 0.1791526 0.4077603 0.1221471 2.9297123 -0.1596769 -0.0501977 0.1806645 2.6452538 14 Ga 2.5062624 0.0121153 -0.0330369 0.1045635 2.6208510 0.1067252 0.0392838 -0.2927252 2.7767500 15 Ga 2.5062624 -0.0121153 -0.0330369 -0.1045635 2.6208510 -0.1067252 0.0392838 0.2927252 2.7767500 16 Ga 2.3792455 0.1359484 -0.3921374 0.0985767 2.7473009 -0.0029530 0.0239842 -0.2125711 2.6484469 17 Ga 2.4317588 -0.1791526 0.4077603 -0.1221471 2.9297123 0.1596769 -0.0501977 -0.1806645 2.6452538 18 Ga 2.5062624 0.0121153 -0.0330369 0.1045635 2.6208510 0.1067252 0.0392838 -0.2927252 2.7767500 19 Ga 2.5062624 -0.0121153 -0.0330369 -0.1045635 2.6208510 -0.1067252 0.0392838 0.2927252 2.7767500 20 Ga 2.4982812 0.0113579 0.1134380 0.0757975 2.8133393 -0.2445798 0.0124014 0.2381939 2.7177969 21 Ga 2.4317588 -0.1791526 0.4077603 -0.1221471 2.9297123 0.1596769 -0.0501977 -0.1806645 2.6452538 22 Ga 2.4317588 0.1791526 0.4077603 0.1221471 2.9297123 -0.1596769 -0.0501977 0.1806645 2.6452538 23 Ga 2.3792455 -0.1359484 -0.3921374 -0.0985767 2.7473009 0.0029530 0.0239842 0.2125711 2.6484469 24 Ga 2.4982812 -0.0113579 0.1134380 -0.0757975 2.8133393 0.2445798 0.0124014 -0.2381939 2.7177969 25 O -1.7338543 -0.1215155 -0.1665252 -0.1274257 -2.2818061 0.1640201 -0.1744534 0.1785877 -1.9076599 26 O -1.7059292 -0.1968014 0.4067587 -0.1958657 -1.7580625 -0.0003614 0.2285943 -0.0594403 -2.3968672 27 O -1.7915148 -0.0843617 0.3997386 -0.1120494 -2.2833873 -0.1681287 0.4065510 -0.1259513 -1.8158540 28 O -1.7059292 0.1968014 0.4067587 0.1958657 -1.7580625 0.0003614 0.2285943 0.0594403 -2.3968672 29 O -1.5819568 0.3416394 0.0903892 0.2909107 -2.3299698 0.3169136 0.0333525 0.3224564 -1.9391726 30 O -1.5819568 -0.3416394 0.0903892 -0.2909107 -2.3299698 -0.3169136 0.0333525 -0.3224564 -1.9391726 31 O -2.5327548 0.0887111 0.0226172 0.0720574 -1.7633221 0.0232402 0.0346164 0.0639837 -1.5074376 32 O -1.7915148 -0.0843617 0.3997386 -0.1120494 -2.2833873 -0.1681287 0.4065510 -0.1259513 -1.8158540 33 O -2.3478131 0.0351861 0.0388879 -0.0343160 -1.5501962 0.0635127 0.0734014 0.0454687 -1.8189207 34 O -1.7338543 0.1215155 -0.1665252 0.1274257 -2.2818061 -0.1640201 -0.1744534 -0.1785877 -1.9076599 35 O -1.5819568 0.3416394 0.0903892 0.2909107 -2.3299698 0.3169136 0.0333525 0.3224564 -1.9391726 36 O -1.6362186 0.2473477 -0.4299505 0.2264893 -1.8294231 -0.0443501 -0.2684095 -0.1035985 -2.3774881 37 O -1.7059292 0.1968014 0.4067587 0.1958657 -1.7580625 0.0003614 0.2285943 0.0594403 -2.3968672 38 O -1.7915148 0.0843617 0.3997386 0.1120494 -2.2833873 0.1681287 0.4065510 0.1259513 -1.8158540 39 O -1.6362186 -0.2473477 -0.4299505 -0.2264893 -1.8294231 0.0443501 -0.2684095 0.1035985 -2.3774881 40 O -2.3478131 -0.0351861 0.0388879 0.0343160 -1.5501962 -0.0635127 0.0734014 -0.0454687 -1.8189207 41 O -1.7338543 -0.1215155 -0.1665252 -0.1274257 -2.2818061 0.1640201 -0.1744534 0.1785877 -1.9076599 42 O -1.6659544 -0.1451279 -0.2388437 -0.1048943 -2.3026665 0.2235289 -0.1873388 0.1908247 -1.9653986 43 O -1.6659544 0.1451279 -0.2388437 0.1048943 -2.3026665 -0.2235289 -0.1873388 -0.1908247 -1.9653986 44 O -1.7915148 0.0843617 0.3997386 0.1120494 -2.2833873 0.1681287 0.4065510 0.1259513 -1.8158540 45 O -1.6659544 0.1451279 -0.2388437 0.1048943 -2.3026665 -0.2235289 -0.1873388 -0.1908247 -1.9653986 46 O -2.5327548 -0.0887111 0.0226172 -0.0720574 -1.7633221 -0.0232402 0.0346164 -0.0639837 -1.5074376 47 O -1.7059292 -0.1968014 0.4067587 -0.1958657 -1.7580625 -0.0003614 0.2285943 -0.0594403 -2.3968672 48 O -1.6362186 -0.2473477 -0.4299505 -0.2264893 -1.8294231 0.0443501 -0.2684095 0.1035985 -2.3774881 49 O -1.5819568 -0.3416394 0.0903892 -0.2909107 -2.3299698 -0.3169136 0.0333525 -0.3224564 -1.9391726 50 O -2.3478131 -0.0351861 0.0388879 0.0343160 -1.5501962 -0.0635127 0.0734014 -0.0454687 -1.8189207 51 O -2.3478131 0.0351861 0.0388879 -0.0343160 -1.5501962 0.0635127 0.0734014 0.0454687 -1.8189207 52 O -1.7338543 0.1215155 -0.1665252 0.1274257 -2.2818061 -0.1640201 -0.1744534 -0.1785877 -1.9076599 53 O -1.6362186 0.2473477 -0.4299505 0.2264893 -1.8294231 -0.0443501 -0.2684095 -0.1035985 -2.3774881 54 O -1.6659544 -0.1451279 -0.2388437 -0.1048943 -2.3026665 0.2235289 -0.1873388 0.1908247 -1.9653986 55 O -2.5327548 -0.0887111 0.0226172 -0.0720574 -1.7633221 -0.0232402 0.0346164 -0.0639837 -1.5074376 56 O -2.5327548 0.0887111 0.0226172 0.0720574 -1.7633221 0.0232402 0.0346164 0.0639837 -1.5074376 ---------------------------------------------------------------------------- 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) 225 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: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 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) 225 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: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 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, 50), data: (1568, 78) @ (78, 50) |-- (568, 544), data: False |-- (568, 30), data: (568, 54) @ (54, 30) |-- (68, 58), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 50), data: (1568, 78) @ (78, 50) |-- (568, 544), data: False |-- (568, 30), data: (568, 54) @ (54, 30) |-- (68, 58), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 5.006 Solver_block: 200 / 1680 - Time: 2.063 Solver_block: 300 / 1680 - Time: 1.709 Solver_block: 400 / 1680 - Time: 1.913 Solver_block: 500 / 1680 - Time: 2.332 Solver_block: 600 / 1680 - Time: 2.662 Solver_block: 700 / 1680 - Time: 2.674 Solver_block: 800 / 1680 - Time: 2.717 Solver_block: 900 / 1680 - Time: 2.483 Solver_block: 1000 / 1680 - Time: 2.485 Solver_block: 1100 / 1680 - Time: 2.578 Solver_block: 1200 / 1680 - Time: 2.653 Solver_block: 1300 / 1680 - Time: 2.546 Solver_block: 1400 / 1680 - Time: 2.186 Solver_block: 1500 / 1680 - Time: 2.065 Solver_block: 1600 / 1680 - Time: 2.032 Solver_block: 1680 / 1680 - Time: 1.489 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 42.864 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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) 225 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: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 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) 225 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: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 230 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 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, 50), data: (1568, 78) @ (78, 50) |-- (568, 544), data: False |-- (568, 30), data: (568, 54) @ (54, 30) |-- (68, 58), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 50), data: (1568, 78) @ (78, 50) |-- (568, 544), data: False |-- (568, 30), data: (568, 54) @ (54, 30) |-- (68, 58), data: True |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 224), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 25), data: (500, 53) @ (53, 25) |-- (250, 225), 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 11:35:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:35:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.100942463082285 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): 1 Sr 0.72109283381090 0.10881231524613 0.22537272387655 87.620 2 Sr 0.27890716618910 0.89118768475387 0.77462727612345 87.620 3 Sr 0.72109283381090 0.39118768475387 0.72537272387655 87.620 4 Sr 0.70358565679513 0.84597765476990 0.69889856283361 87.620 5 Sr 0.27890716618910 0.60881231524613 0.27462727612345 87.620 6 Sr 0.29641434320487 0.34597765476990 0.80110143716639 87.620 7 Sr 0.70358565679513 0.65402234523010 0.19889856283361 87.620 8 Sr 0.29641434320487 0.15402234523010 0.30110143716639 87.620 9 Ga 0.90388534430730 0.36509478493403 0.09312189361085 69.723 10 Ga 0.15185657806188 0.36301342511819 0.43219027454316 69.723 11 Ga 0.15185657806188 0.13698657488181 0.93219027454315 69.723 12 Ga 0.90388534430730 0.13490521506597 0.59312189361085 69.723 13 Ga 0.75841965451245 0.11415597251904 0.92874635395949 69.723 14 Ga 0.33178738907215 0.11478350738148 0.59513994899280 69.723 15 Ga 0.66821261092785 0.61478350738148 0.90486005100720 69.723 16 Ga 0.84814342193812 0.86301342511819 0.06780972545684 69.723 17 Ga 0.24158034548755 0.61415597251904 0.57125364604051 69.723 18 Ga 0.66821261092785 0.88521649261852 0.40486005100720 69.723 19 Ga 0.33178738907215 0.38521649261852 0.09513994899280 69.723 20 Ga 0.09611465569270 0.86509478493403 0.40687810638915 69.723 21 Ga 0.75841965451245 0.38584402748096 0.42874635395949 69.723 22 Ga 0.24158034548755 0.88584402748096 0.07125364604051 69.723 23 Ga 0.84814342193812 0.63698657488181 0.56780972545685 69.723 24 Ga 0.09611465569270 0.63490521506597 0.90687810638915 69.723 25 O 0.39681547473067 0.25864633490391 0.54507892903597 15.999 26 O 0.03759834326914 0.71848002460617 0.74879055145138 15.999 27 O 0.74282642459968 0.47967655432205 0.55170850393503 15.999 28 O 0.96240165673086 0.21848002460617 0.75120944854862 15.999 29 O 0.17763783020684 0.47165712198540 0.91845366396097 15.999 30 O 0.82236216979316 0.97165712198540 0.58154633603903 15.999 31 O 0.19130045760691 0.11748588373521 0.66949081547603 15.999 32 O 0.25717357540031 0.52032344567795 0.44829149606497 15.999 33 O 0.04968016167570 0.36430645285362 0.52975673308860 15.999 34 O 0.60318452526933 0.75864633490391 0.95492107096403 15.999 35 O 0.82236216979316 0.52834287801460 0.08154633603903 15.999 36 O 0.58431386666587 0.03427331697486 0.74885982551964 15.999 37 O 0.03759834326914 0.78151997539383 0.24879055145138 15.999 38 O 0.25717357540031 0.97967655432205 0.94829149606497 15.999 39 O 0.58431386666587 0.46572668302514 0.24885982551964 15.999 40 O 0.95031983832430 0.86430645285362 0.97024326691140 15.999 41 O 0.60318452526933 0.74135366509609 0.45492107096403 15.999 42 O 0.31537402932578 0.78493083927068 0.58538291441212 15.999 43 O 0.68462597067422 0.28493083927068 0.91461708558788 15.999 44 O 0.74282642459968 0.02032344567795 0.05170850393503 15.999 45 O 0.31537402932578 0.71506916072932 0.08538291441213 15.999 46 O 0.80869954239309 0.61748588373521 0.83050918452397 15.999 47 O 0.96240165673086 0.28151997539383 0.25120944854862 15.999 48 O 0.41568613333413 0.53427331697486 0.75114017448036 15.999 49 O 0.17763783020684 0.02834287801460 0.41845366396097 15.999 50 O 0.04968016167570 0.13569354714638 0.02975673308860 15.999 51 O 0.95031983832430 0.63569354714638 0.47024326691140 15.999 52 O 0.39681547473067 0.24135366509609 0.04507892903597 15.999 53 O 0.41568613333413 0.96572668302514 0.25114017448036 15.999 54 O 0.68462597067422 0.21506916072932 0.41461708558788 15.999 55 O 0.19130045760691 0.38251411626479 0.16949081547603 15.999 56 O 0.80869954239309 0.88251411626479 0.33050918452397 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.201884926164571 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): 1 Sr 0.36054641690545 0.10881231524613 0.22537272387655 87.620 > 1 2 Sr 0.86054641690545 0.10881231524613 0.22537272387655 87.620 > 1 3 Sr 0.13945358309455 0.89118768475387 0.77462727612345 87.620 > 3 4 Sr 0.63945358309455 0.89118768475387 0.77462727612345 87.620 > 3 5 Sr 0.36054641690545 0.39118768475387 0.72537272387655 87.620 > 5 6 Sr 0.86054641690545 0.39118768475387 0.72537272387655 87.620 > 5 7 Sr 0.35179282839757 0.84597765476990 0.69889856283361 87.620 > 7 8 Sr 0.85179282839757 0.84597765476990 0.69889856283361 87.620 > 7 9 Sr 0.13945358309455 0.60881231524613 0.27462727612345 87.620 > 9 10 Sr 0.63945358309455 0.60881231524613 0.27462727612345 87.620 > 9 11 Sr 0.14820717160243 0.34597765476990 0.80110143716639 87.620 > 11 12 Sr 0.64820717160243 0.34597765476990 0.80110143716639 87.620 > 11 13 Sr 0.35179282839757 0.65402234523010 0.19889856283361 87.620 > 13 14 Sr 0.85179282839757 0.65402234523010 0.19889856283361 87.620 > 13 15 Sr 0.14820717160243 0.15402234523010 0.30110143716639 87.620 > 15 16 Sr 0.64820717160243 0.15402234523010 0.30110143716639 87.620 > 15 17 Ga 0.45194267215365 0.36509478493403 0.09312189361085 69.723 > 17 18 Ga 0.95194267215365 0.36509478493403 0.09312189361085 69.723 > 17 19 Ga 0.07592828903094 0.36301342511819 0.43219027454316 69.723 > 19 20 Ga 0.57592828903094 0.36301342511819 0.43219027454316 69.723 > 19 21 Ga 0.07592828903094 0.13698657488181 0.93219027454315 69.723 > 21 22 Ga 0.57592828903094 0.13698657488181 0.93219027454315 69.723 > 21 23 Ga 0.45194267215365 0.13490521506597 0.59312189361085 69.723 > 23 24 Ga 0.95194267215365 0.13490521506597 0.59312189361085 69.723 > 23 25 Ga 0.37920982725622 0.11415597251904 0.92874635395949 69.723 > 25 26 Ga 0.87920982725622 0.11415597251904 0.92874635395949 69.723 > 25 27 Ga 0.16589369453608 0.11478350738148 0.59513994899280 69.723 > 27 28 Ga 0.66589369453608 0.11478350738148 0.59513994899280 69.723 > 27 29 Ga 0.33410630546392 0.61478350738148 0.90486005100720 69.723 > 29 30 Ga 0.83410630546392 0.61478350738148 0.90486005100720 69.723 > 29 31 Ga 0.42407171096906 0.86301342511819 0.06780972545684 69.723 > 31 32 Ga 0.92407171096906 0.86301342511819 0.06780972545684 69.723 > 31 33 Ga 0.12079017274378 0.61415597251904 0.57125364604051 69.723 > 33 34 Ga 0.62079017274378 0.61415597251904 0.57125364604051 69.723 > 33 35 Ga 0.33410630546392 0.88521649261852 0.40486005100720 69.723 > 35 36 Ga 0.83410630546392 0.88521649261852 0.40486005100720 69.723 > 35 37 Ga 0.16589369453608 0.38521649261852 0.09513994899280 69.723 > 37 38 Ga 0.66589369453608 0.38521649261852 0.09513994899280 69.723 > 37 39 Ga 0.04805732784635 0.86509478493403 0.40687810638915 69.723 > 39 40 Ga 0.54805732784635 0.86509478493403 0.40687810638915 69.723 > 39 41 Ga 0.37920982725622 0.38584402748096 0.42874635395949 69.723 > 41 42 Ga 0.87920982725622 0.38584402748096 0.42874635395949 69.723 > 41 43 Ga 0.12079017274378 0.88584402748096 0.07125364604051 69.723 > 43 44 Ga 0.62079017274378 0.88584402748096 0.07125364604051 69.723 > 43 45 Ga 0.42407171096906 0.63698657488181 0.56780972545685 69.723 > 45 46 Ga 0.92407171096906 0.63698657488181 0.56780972545685 69.723 > 45 47 Ga 0.04805732784635 0.63490521506597 0.90687810638915 69.723 > 47 48 Ga 0.54805732784635 0.63490521506597 0.90687810638915 69.723 > 47 49 O 0.19840773736533 0.25864633490391 0.54507892903597 15.999 > 49 50 O 0.69840773736533 0.25864633490391 0.54507892903597 15.999 > 49 51 O 0.01879917163457 0.71848002460617 0.74879055145138 15.999 > 51 52 O 0.51879917163457 0.71848002460617 0.74879055145138 15.999 > 51 53 O 0.37141321229984 0.47967655432205 0.55170850393503 15.999 > 53 54 O 0.87141321229984 0.47967655432205 0.55170850393503 15.999 > 53 55 O 0.48120082836543 0.21848002460617 0.75120944854862 15.999 > 55 56 O 0.98120082836543 0.21848002460617 0.75120944854862 15.999 > 55 57 O 0.08881891510342 0.47165712198540 0.91845366396097 15.999 > 57 58 O 0.58881891510342 0.47165712198540 0.91845366396097 15.999 > 57 59 O 0.41118108489658 0.97165712198540 0.58154633603903 15.999 > 59 60 O 0.91118108489658 0.97165712198540 0.58154633603903 15.999 > 59 61 O 0.09565022880346 0.11748588373521 0.66949081547603 15.999 > 61 62 O 0.59565022880346 0.11748588373521 0.66949081547603 15.999 > 61 63 O 0.12858678770016 0.52032344567795 0.44829149606497 15.999 > 63 64 O 0.62858678770016 0.52032344567795 0.44829149606497 15.999 > 63 65 O 0.02484008083785 0.36430645285362 0.52975673308860 15.999 > 65 66 O 0.52484008083785 0.36430645285362 0.52975673308860 15.999 > 65 67 O 0.30159226263467 0.75864633490391 0.95492107096403 15.999 > 67 68 O 0.80159226263467 0.75864633490391 0.95492107096403 15.999 > 67 69 O 0.41118108489658 0.52834287801460 0.08154633603903 15.999 > 69 70 O 0.91118108489658 0.52834287801460 0.08154633603903 15.999 > 69 71 O 0.29215693333293 0.03427331697486 0.74885982551964 15.999 > 71 72 O 0.79215693333293 0.03427331697486 0.74885982551964 15.999 > 71 73 O 0.01879917163457 0.78151997539383 0.24879055145138 15.999 > 73 74 O 0.51879917163457 0.78151997539383 0.24879055145138 15.999 > 73 75 O 0.12858678770016 0.97967655432205 0.94829149606497 15.999 > 75 76 O 0.62858678770016 0.97967655432205 0.94829149606497 15.999 > 75 77 O 0.29215693333293 0.46572668302514 0.24885982551964 15.999 > 77 78 O 0.79215693333293 0.46572668302514 0.24885982551964 15.999 > 77 79 O 0.47515991916215 0.86430645285362 0.97024326691140 15.999 > 79 80 O 0.97515991916215 0.86430645285362 0.97024326691140 15.999 > 79 81 O 0.30159226263467 0.74135366509609 0.45492107096403 15.999 > 81 82 O 0.80159226263467 0.74135366509609 0.45492107096403 15.999 > 81 83 O 0.15768701466289 0.78493083927068 0.58538291441212 15.999 > 83 84 O 0.65768701466289 0.78493083927068 0.58538291441212 15.999 > 83 85 O 0.34231298533711 0.28493083927068 0.91461708558788 15.999 > 85 86 O 0.84231298533711 0.28493083927068 0.91461708558788 15.999 > 85 87 O 0.37141321229984 0.02032344567795 0.05170850393503 15.999 > 87 88 O 0.87141321229984 0.02032344567795 0.05170850393503 15.999 > 87 89 O 0.15768701466289 0.71506916072932 0.08538291441213 15.999 > 89 90 O 0.65768701466289 0.71506916072932 0.08538291441213 15.999 > 89 91 O 0.40434977119654 0.61748588373521 0.83050918452397 15.999 > 91 92 O 0.90434977119654 0.61748588373521 0.83050918452397 15.999 > 91 93 O 0.48120082836543 0.28151997539383 0.25120944854862 15.999 > 93 94 O 0.98120082836543 0.28151997539383 0.25120944854862 15.999 > 93 95 O 0.20784306666707 0.53427331697486 0.75114017448036 15.999 > 95 96 O 0.70784306666707 0.53427331697486 0.75114017448036 15.999 > 95 97 O 0.08881891510342 0.02834287801460 0.41845366396097 15.999 > 97 98 O 0.58881891510342 0.02834287801460 0.41845366396097 15.999 > 97 99 O 0.02484008083785 0.13569354714638 0.02975673308860 15.999 > 99 100 O 0.52484008083785 0.13569354714638 0.02975673308860 15.999 > 99 101 O 0.47515991916215 0.63569354714638 0.47024326691140 15.999 > 101 102 O 0.97515991916215 0.63569354714638 0.47024326691140 15.999 > 101 103 O 0.19840773736533 0.24135366509609 0.04507892903597 15.999 > 103 104 O 0.69840773736533 0.24135366509609 0.04507892903597 15.999 > 103 105 O 0.20784306666707 0.96572668302514 0.25114017448036 15.999 > 105 106 O 0.70784306666707 0.96572668302514 0.25114017448036 15.999 > 105 107 O 0.34231298533711 0.21506916072932 0.41461708558788 15.999 > 107 108 O 0.84231298533711 0.21506916072932 0.41461708558788 15.999 > 107 109 O 0.09565022880346 0.38251411626479 0.16949081547603 15.999 > 109 110 O 0.59565022880346 0.38251411626479 0.16949081547603 15.999 > 109 111 O 0.40434977119654 0.88251411626479 0.33050918452397 15.999 > 111 112 O 0.90434977119654 0.88251411626479 0.33050918452397 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3916545 0.0000000 -0.0129431 0.0000000 3.5654509 0.0000000 -0.0129435 0.0000000 3.5131971 -------------------------- Born effective charges -------------------------- 1 Sr 2.6164755 -0.1339868 -0.0084356 -0.0851065 2.5677930 -0.0230047 -0.0234193 -0.0471847 2.4257252 2 Sr 2.6164755 -0.1339868 -0.0084356 -0.0851065 2.5677930 -0.0230047 -0.0234193 -0.0471847 2.4257252 3 Sr 2.6164755 0.1339868 -0.0084356 0.0851065 2.5677930 0.0230047 -0.0234193 0.0471847 2.4257252 4 Sr 2.5639725 -0.1442364 -0.2106607 -0.1371117 2.4198370 0.0263013 -0.1483663 0.0278284 2.5148259 5 Sr 2.6164755 0.1339868 -0.0084356 0.0851065 2.5677930 0.0230047 -0.0234193 0.0471847 2.4257252 6 Sr 2.5639725 0.1442364 -0.2106607 0.1371117 2.4198370 -0.0263013 -0.1483663 -0.0278284 2.5148259 7 Sr 2.5639725 0.1442364 -0.2106607 0.1371117 2.4198370 -0.0263013 -0.1483663 -0.0278284 2.5148259 8 Sr 2.5639725 -0.1442364 -0.2106607 -0.1371117 2.4198370 0.0263013 -0.1483663 0.0278284 2.5148259 9 Ga 2.4982812 -0.0113579 0.1134380 -0.0757975 2.8133393 0.2445798 0.0124014 -0.2381939 2.7177969 10 Ga 2.3792455 -0.1359484 -0.3921374 -0.0985767 2.7473009 0.0029530 0.0239842 0.2125711 2.6484469 11 Ga 2.3792455 0.1359484 -0.3921374 0.0985767 2.7473009 -0.0029530 0.0239842 -0.2125711 2.6484469 12 Ga 2.4982812 0.0113579 0.1134380 0.0757975 2.8133393 -0.2445798 0.0124014 0.2381939 2.7177969 13 Ga 2.4317588 0.1791526 0.4077603 0.1221471 2.9297123 -0.1596769 -0.0501977 0.1806645 2.6452538 14 Ga 2.5062624 0.0121153 -0.0330369 0.1045635 2.6208510 0.1067252 0.0392838 -0.2927252 2.7767500 15 Ga 2.5062624 -0.0121153 -0.0330369 -0.1045635 2.6208510 -0.1067252 0.0392838 0.2927252 2.7767500 16 Ga 2.3792455 0.1359484 -0.3921374 0.0985767 2.7473009 -0.0029530 0.0239842 -0.2125711 2.6484469 17 Ga 2.4317588 -0.1791526 0.4077603 -0.1221471 2.9297123 0.1596769 -0.0501977 -0.1806645 2.6452538 18 Ga 2.5062624 0.0121153 -0.0330369 0.1045635 2.6208510 0.1067252 0.0392838 -0.2927252 2.7767500 19 Ga 2.5062624 -0.0121153 -0.0330369 -0.1045635 2.6208510 -0.1067252 0.0392838 0.2927252 2.7767500 20 Ga 2.4982812 0.0113579 0.1134380 0.0757975 2.8133393 -0.2445798 0.0124014 0.2381939 2.7177969 21 Ga 2.4317588 -0.1791526 0.4077603 -0.1221471 2.9297123 0.1596769 -0.0501977 -0.1806645 2.6452538 22 Ga 2.4317588 0.1791526 0.4077603 0.1221471 2.9297123 -0.1596769 -0.0501977 0.1806645 2.6452538 23 Ga 2.3792455 -0.1359484 -0.3921374 -0.0985767 2.7473009 0.0029530 0.0239842 0.2125711 2.6484469 24 Ga 2.4982812 -0.0113579 0.1134380 -0.0757975 2.8133393 0.2445798 0.0124014 -0.2381939 2.7177969 25 O -1.7338543 -0.1215155 -0.1665252 -0.1274257 -2.2818061 0.1640201 -0.1744534 0.1785877 -1.9076599 26 O -1.7059292 -0.1968014 0.4067587 -0.1958657 -1.7580625 -0.0003614 0.2285943 -0.0594403 -2.3968672 27 O -1.7915148 -0.0843617 0.3997386 -0.1120494 -2.2833873 -0.1681287 0.4065510 -0.1259513 -1.8158540 28 O -1.7059292 0.1968014 0.4067587 0.1958657 -1.7580625 0.0003614 0.2285943 0.0594403 -2.3968672 29 O -1.5819568 0.3416394 0.0903892 0.2909107 -2.3299698 0.3169136 0.0333525 0.3224564 -1.9391726 30 O -1.5819568 -0.3416394 0.0903892 -0.2909107 -2.3299698 -0.3169136 0.0333525 -0.3224564 -1.9391726 31 O -2.5327548 0.0887111 0.0226172 0.0720574 -1.7633221 0.0232402 0.0346164 0.0639837 -1.5074376 32 O -1.7915148 -0.0843617 0.3997386 -0.1120494 -2.2833873 -0.1681287 0.4065510 -0.1259513 -1.8158540 33 O -2.3478131 0.0351861 0.0388879 -0.0343160 -1.5501962 0.0635127 0.0734014 0.0454687 -1.8189207 34 O -1.7338543 0.1215155 -0.1665252 0.1274257 -2.2818061 -0.1640201 -0.1744534 -0.1785877 -1.9076599 35 O -1.5819568 0.3416394 0.0903892 0.2909107 -2.3299698 0.3169136 0.0333525 0.3224564 -1.9391726 36 O -1.6362186 0.2473477 -0.4299505 0.2264893 -1.8294231 -0.0443501 -0.2684095 -0.1035985 -2.3774881 37 O -1.7059292 0.1968014 0.4067587 0.1958657 -1.7580625 0.0003614 0.2285943 0.0594403 -2.3968672 38 O -1.7915148 0.0843617 0.3997386 0.1120494 -2.2833873 0.1681287 0.4065510 0.1259513 -1.8158540 39 O -1.6362186 -0.2473477 -0.4299505 -0.2264893 -1.8294231 0.0443501 -0.2684095 0.1035985 -2.3774881 40 O -2.3478131 -0.0351861 0.0388879 0.0343160 -1.5501962 -0.0635127 0.0734014 -0.0454687 -1.8189207 41 O -1.7338543 -0.1215155 -0.1665252 -0.1274257 -2.2818061 0.1640201 -0.1744534 0.1785877 -1.9076599 42 O -1.6659544 -0.1451279 -0.2388437 -0.1048943 -2.3026665 0.2235289 -0.1873388 0.1908247 -1.9653986 43 O -1.6659544 0.1451279 -0.2388437 0.1048943 -2.3026665 -0.2235289 -0.1873388 -0.1908247 -1.9653986 44 O -1.7915148 0.0843617 0.3997386 0.1120494 -2.2833873 0.1681287 0.4065510 0.1259513 -1.8158540 45 O -1.6659544 0.1451279 -0.2388437 0.1048943 -2.3026665 -0.2235289 -0.1873388 -0.1908247 -1.9653986 46 O -2.5327548 -0.0887111 0.0226172 -0.0720574 -1.7633221 -0.0232402 0.0346164 -0.0639837 -1.5074376 47 O -1.7059292 -0.1968014 0.4067587 -0.1958657 -1.7580625 -0.0003614 0.2285943 -0.0594403 -2.3968672 48 O -1.6362186 -0.2473477 -0.4299505 -0.2264893 -1.8294231 0.0443501 -0.2684095 0.1035985 -2.3774881 49 O -1.5819568 -0.3416394 0.0903892 -0.2909107 -2.3299698 -0.3169136 0.0333525 -0.3224564 -1.9391726 50 O -2.3478131 -0.0351861 0.0388879 0.0343160 -1.5501962 -0.0635127 0.0734014 -0.0454687 -1.8189207 51 O -2.3478131 0.0351861 0.0388879 -0.0343160 -1.5501962 0.0635127 0.0734014 0.0454687 -1.8189207 52 O -1.7338543 0.1215155 -0.1665252 0.1274257 -2.2818061 -0.1640201 -0.1744534 -0.1785877 -1.9076599 53 O -1.6362186 0.2473477 -0.4299505 0.2264893 -1.8294231 -0.0443501 -0.2684095 -0.1035985 -2.3774881 54 O -1.6659544 -0.1451279 -0.2388437 -0.1048943 -2.3026665 0.2235289 -0.1873388 0.1908247 -1.9653986 55 O -2.5327548 -0.0887111 0.0226172 -0.0720574 -1.7633221 -0.0232402 0.0346164 -0.0639837 -1.5074376 56 O -2.5327548 0.0887111 0.0226172 0.0720574 -1.7633221 0.0232402 0.0346164 0.0639837 -1.5074376 ---------------------------------------------------------------------------- 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 19, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 27, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 71, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 83, 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] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] 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 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:36:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:36:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.100942463082285 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): 1 Sr 0.72109283381090 0.10881231524613 0.22537272387655 87.620 2 Sr 0.27890716618910 0.89118768475387 0.77462727612345 87.620 3 Sr 0.72109283381090 0.39118768475387 0.72537272387655 87.620 4 Sr 0.70358565679513 0.84597765476990 0.69889856283361 87.620 5 Sr 0.27890716618910 0.60881231524613 0.27462727612345 87.620 6 Sr 0.29641434320487 0.34597765476990 0.80110143716639 87.620 7 Sr 0.70358565679513 0.65402234523010 0.19889856283361 87.620 8 Sr 0.29641434320487 0.15402234523010 0.30110143716639 87.620 9 Ga 0.90388534430730 0.36509478493403 0.09312189361085 69.723 10 Ga 0.15185657806188 0.36301342511819 0.43219027454316 69.723 11 Ga 0.15185657806188 0.13698657488181 0.93219027454315 69.723 12 Ga 0.90388534430730 0.13490521506597 0.59312189361085 69.723 13 Ga 0.75841965451245 0.11415597251904 0.92874635395949 69.723 14 Ga 0.33178738907215 0.11478350738148 0.59513994899280 69.723 15 Ga 0.66821261092785 0.61478350738148 0.90486005100720 69.723 16 Ga 0.84814342193812 0.86301342511819 0.06780972545684 69.723 17 Ga 0.24158034548755 0.61415597251904 0.57125364604051 69.723 18 Ga 0.66821261092785 0.88521649261852 0.40486005100720 69.723 19 Ga 0.33178738907215 0.38521649261852 0.09513994899280 69.723 20 Ga 0.09611465569270 0.86509478493403 0.40687810638915 69.723 21 Ga 0.75841965451245 0.38584402748096 0.42874635395949 69.723 22 Ga 0.24158034548755 0.88584402748096 0.07125364604051 69.723 23 Ga 0.84814342193812 0.63698657488181 0.56780972545685 69.723 24 Ga 0.09611465569270 0.63490521506597 0.90687810638915 69.723 25 O 0.39681547473067 0.25864633490391 0.54507892903597 15.999 26 O 0.03759834326914 0.71848002460617 0.74879055145138 15.999 27 O 0.74282642459968 0.47967655432205 0.55170850393503 15.999 28 O 0.96240165673086 0.21848002460617 0.75120944854862 15.999 29 O 0.17763783020684 0.47165712198540 0.91845366396097 15.999 30 O 0.82236216979316 0.97165712198540 0.58154633603903 15.999 31 O 0.19130045760691 0.11748588373521 0.66949081547603 15.999 32 O 0.25717357540031 0.52032344567795 0.44829149606497 15.999 33 O 0.04968016167570 0.36430645285362 0.52975673308860 15.999 34 O 0.60318452526933 0.75864633490391 0.95492107096403 15.999 35 O 0.82236216979316 0.52834287801460 0.08154633603903 15.999 36 O 0.58431386666587 0.03427331697486 0.74885982551964 15.999 37 O 0.03759834326914 0.78151997539383 0.24879055145138 15.999 38 O 0.25717357540031 0.97967655432205 0.94829149606497 15.999 39 O 0.58431386666587 0.46572668302514 0.24885982551964 15.999 40 O 0.95031983832430 0.86430645285362 0.97024326691140 15.999 41 O 0.60318452526933 0.74135366509609 0.45492107096403 15.999 42 O 0.31537402932578 0.78493083927068 0.58538291441212 15.999 43 O 0.68462597067422 0.28493083927068 0.91461708558788 15.999 44 O 0.74282642459968 0.02032344567795 0.05170850393503 15.999 45 O 0.31537402932578 0.71506916072932 0.08538291441213 15.999 46 O 0.80869954239309 0.61748588373521 0.83050918452397 15.999 47 O 0.96240165673086 0.28151997539383 0.25120944854862 15.999 48 O 0.41568613333413 0.53427331697486 0.75114017448036 15.999 49 O 0.17763783020684 0.02834287801460 0.41845366396097 15.999 50 O 0.04968016167570 0.13569354714638 0.02975673308860 15.999 51 O 0.95031983832430 0.63569354714638 0.47024326691140 15.999 52 O 0.39681547473067 0.24135366509609 0.04507892903597 15.999 53 O 0.41568613333413 0.96572668302514 0.25114017448036 15.999 54 O 0.68462597067422 0.21506916072932 0.41461708558788 15.999 55 O 0.19130045760691 0.38251411626479 0.16949081547603 15.999 56 O 0.80869954239309 0.88251411626479 0.33050918452397 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.201884926164571 0.000000000000000 0.000000000000000 b 0.000000000000000 10.723191010000001 0.000000000000000 c -7.863107363469130 0.000000000000000 9.049640414286010 Atomic positions (fractional): 1 Sr 0.36054641690545 0.10881231524613 0.22537272387655 87.620 > 1 2 Sr 0.86054641690545 0.10881231524613 0.22537272387655 87.620 > 1 3 Sr 0.13945358309455 0.89118768475387 0.77462727612345 87.620 > 3 4 Sr 0.63945358309455 0.89118768475387 0.77462727612345 87.620 > 3 5 Sr 0.36054641690545 0.39118768475387 0.72537272387655 87.620 > 5 6 Sr 0.86054641690545 0.39118768475387 0.72537272387655 87.620 > 5 7 Sr 0.35179282839757 0.84597765476990 0.69889856283361 87.620 > 7 8 Sr 0.85179282839757 0.84597765476990 0.69889856283361 87.620 > 7 9 Sr 0.13945358309455 0.60881231524613 0.27462727612345 87.620 > 9 10 Sr 0.63945358309455 0.60881231524613 0.27462727612345 87.620 > 9 11 Sr 0.14820717160243 0.34597765476990 0.80110143716639 87.620 > 11 12 Sr 0.64820717160243 0.34597765476990 0.80110143716639 87.620 > 11 13 Sr 0.35179282839757 0.65402234523010 0.19889856283361 87.620 > 13 14 Sr 0.85179282839757 0.65402234523010 0.19889856283361 87.620 > 13 15 Sr 0.14820717160243 0.15402234523010 0.30110143716639 87.620 > 15 16 Sr 0.64820717160243 0.15402234523010 0.30110143716639 87.620 > 15 17 Ga 0.45194267215365 0.36509478493403 0.09312189361085 69.723 > 17 18 Ga 0.95194267215365 0.36509478493403 0.09312189361085 69.723 > 17 19 Ga 0.07592828903094 0.36301342511819 0.43219027454316 69.723 > 19 20 Ga 0.57592828903094 0.36301342511819 0.43219027454316 69.723 > 19 21 Ga 0.07592828903094 0.13698657488181 0.93219027454315 69.723 > 21 22 Ga 0.57592828903094 0.13698657488181 0.93219027454315 69.723 > 21 23 Ga 0.45194267215365 0.13490521506597 0.59312189361085 69.723 > 23 24 Ga 0.95194267215365 0.13490521506597 0.59312189361085 69.723 > 23 25 Ga 0.37920982725622 0.11415597251904 0.92874635395949 69.723 > 25 26 Ga 0.87920982725622 0.11415597251904 0.92874635395949 69.723 > 25 27 Ga 0.16589369453608 0.11478350738148 0.59513994899280 69.723 > 27 28 Ga 0.66589369453608 0.11478350738148 0.59513994899280 69.723 > 27 29 Ga 0.33410630546392 0.61478350738148 0.90486005100720 69.723 > 29 30 Ga 0.83410630546392 0.61478350738148 0.90486005100720 69.723 > 29 31 Ga 0.42407171096906 0.86301342511819 0.06780972545684 69.723 > 31 32 Ga 0.92407171096906 0.86301342511819 0.06780972545684 69.723 > 31 33 Ga 0.12079017274378 0.61415597251904 0.57125364604051 69.723 > 33 34 Ga 0.62079017274378 0.61415597251904 0.57125364604051 69.723 > 33 35 Ga 0.33410630546392 0.88521649261852 0.40486005100720 69.723 > 35 36 Ga 0.83410630546392 0.88521649261852 0.40486005100720 69.723 > 35 37 Ga 0.16589369453608 0.38521649261852 0.09513994899280 69.723 > 37 38 Ga 0.66589369453608 0.38521649261852 0.09513994899280 69.723 > 37 39 Ga 0.04805732784635 0.86509478493403 0.40687810638915 69.723 > 39 40 Ga 0.54805732784635 0.86509478493403 0.40687810638915 69.723 > 39 41 Ga 0.37920982725622 0.38584402748096 0.42874635395949 69.723 > 41 42 Ga 0.87920982725622 0.38584402748096 0.42874635395949 69.723 > 41 43 Ga 0.12079017274378 0.88584402748096 0.07125364604051 69.723 > 43 44 Ga 0.62079017274378 0.88584402748096 0.07125364604051 69.723 > 43 45 Ga 0.42407171096906 0.63698657488181 0.56780972545685 69.723 > 45 46 Ga 0.92407171096906 0.63698657488181 0.56780972545685 69.723 > 45 47 Ga 0.04805732784635 0.63490521506597 0.90687810638915 69.723 > 47 48 Ga 0.54805732784635 0.63490521506597 0.90687810638915 69.723 > 47 49 O 0.19840773736533 0.25864633490391 0.54507892903597 15.999 > 49 50 O 0.69840773736533 0.25864633490391 0.54507892903597 15.999 > 49 51 O 0.01879917163457 0.71848002460617 0.74879055145138 15.999 > 51 52 O 0.51879917163457 0.71848002460617 0.74879055145138 15.999 > 51 53 O 0.37141321229984 0.47967655432205 0.55170850393503 15.999 > 53 54 O 0.87141321229984 0.47967655432205 0.55170850393503 15.999 > 53 55 O 0.48120082836543 0.21848002460617 0.75120944854862 15.999 > 55 56 O 0.98120082836543 0.21848002460617 0.75120944854862 15.999 > 55 57 O 0.08881891510342 0.47165712198540 0.91845366396097 15.999 > 57 58 O 0.58881891510342 0.47165712198540 0.91845366396097 15.999 > 57 59 O 0.41118108489658 0.97165712198540 0.58154633603903 15.999 > 59 60 O 0.91118108489658 0.97165712198540 0.58154633603903 15.999 > 59 61 O 0.09565022880346 0.11748588373521 0.66949081547603 15.999 > 61 62 O 0.59565022880346 0.11748588373521 0.66949081547603 15.999 > 61 63 O 0.12858678770016 0.52032344567795 0.44829149606497 15.999 > 63 64 O 0.62858678770016 0.52032344567795 0.44829149606497 15.999 > 63 65 O 0.02484008083785 0.36430645285362 0.52975673308860 15.999 > 65 66 O 0.52484008083785 0.36430645285362 0.52975673308860 15.999 > 65 67 O 0.30159226263467 0.75864633490391 0.95492107096403 15.999 > 67 68 O 0.80159226263467 0.75864633490391 0.95492107096403 15.999 > 67 69 O 0.41118108489658 0.52834287801460 0.08154633603903 15.999 > 69 70 O 0.91118108489658 0.52834287801460 0.08154633603903 15.999 > 69 71 O 0.29215693333293 0.03427331697486 0.74885982551964 15.999 > 71 72 O 0.79215693333293 0.03427331697486 0.74885982551964 15.999 > 71 73 O 0.01879917163457 0.78151997539383 0.24879055145138 15.999 > 73 74 O 0.51879917163457 0.78151997539383 0.24879055145138 15.999 > 73 75 O 0.12858678770016 0.97967655432205 0.94829149606497 15.999 > 75 76 O 0.62858678770016 0.97967655432205 0.94829149606497 15.999 > 75 77 O 0.29215693333293 0.46572668302514 0.24885982551964 15.999 > 77 78 O 0.79215693333293 0.46572668302514 0.24885982551964 15.999 > 77 79 O 0.47515991916215 0.86430645285362 0.97024326691140 15.999 > 79 80 O 0.97515991916215 0.86430645285362 0.97024326691140 15.999 > 79 81 O 0.30159226263467 0.74135366509609 0.45492107096403 15.999 > 81 82 O 0.80159226263467 0.74135366509609 0.45492107096403 15.999 > 81 83 O 0.15768701466289 0.78493083927068 0.58538291441212 15.999 > 83 84 O 0.65768701466289 0.78493083927068 0.58538291441212 15.999 > 83 85 O 0.34231298533711 0.28493083927068 0.91461708558788 15.999 > 85 86 O 0.84231298533711 0.28493083927068 0.91461708558788 15.999 > 85 87 O 0.37141321229984 0.02032344567795 0.05170850393503 15.999 > 87 88 O 0.87141321229984 0.02032344567795 0.05170850393503 15.999 > 87 89 O 0.15768701466289 0.71506916072932 0.08538291441213 15.999 > 89 90 O 0.65768701466289 0.71506916072932 0.08538291441213 15.999 > 89 91 O 0.40434977119654 0.61748588373521 0.83050918452397 15.999 > 91 92 O 0.90434977119654 0.61748588373521 0.83050918452397 15.999 > 91 93 O 0.48120082836543 0.28151997539383 0.25120944854862 15.999 > 93 94 O 0.98120082836543 0.28151997539383 0.25120944854862 15.999 > 93 95 O 0.20784306666707 0.53427331697486 0.75114017448036 15.999 > 95 96 O 0.70784306666707 0.53427331697486 0.75114017448036 15.999 > 95 97 O 0.08881891510342 0.02834287801460 0.41845366396097 15.999 > 97 98 O 0.58881891510342 0.02834287801460 0.41845366396097 15.999 > 97 99 O 0.02484008083785 0.13569354714638 0.02975673308860 15.999 > 99 100 O 0.52484008083785 0.13569354714638 0.02975673308860 15.999 > 99 101 O 0.47515991916215 0.63569354714638 0.47024326691140 15.999 > 101 102 O 0.97515991916215 0.63569354714638 0.47024326691140 15.999 > 101 103 O 0.19840773736533 0.24135366509609 0.04507892903597 15.999 > 103 104 O 0.69840773736533 0.24135366509609 0.04507892903597 15.999 > 103 105 O 0.20784306666707 0.96572668302514 0.25114017448036 15.999 > 105 106 O 0.70784306666707 0.96572668302514 0.25114017448036 15.999 > 105 107 O 0.34231298533711 0.21506916072932 0.41461708558788 15.999 > 107 108 O 0.84231298533711 0.21506916072932 0.41461708558788 15.999 > 107 109 O 0.09565022880346 0.38251411626479 0.16949081547603 15.999 > 109 110 O 0.59565022880346 0.38251411626479 0.16949081547603 15.999 > 109 111 O 0.40434977119654 0.88251411626479 0.33050918452397 15.999 > 111 112 O 0.90434977119654 0.88251411626479 0.33050918452397 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3916545 0.0000000 -0.0129431 0.0000000 3.5654509 0.0000000 -0.0129435 0.0000000 3.5131971 -------------------------- Born effective charges -------------------------- 1 Sr 2.6164755 -0.1339868 -0.0084356 -0.0851065 2.5677930 -0.0230047 -0.0234193 -0.0471847 2.4257252 2 Sr 2.6164755 -0.1339868 -0.0084356 -0.0851065 2.5677930 -0.0230047 -0.0234193 -0.0471847 2.4257252 3 Sr 2.6164755 0.1339868 -0.0084356 0.0851065 2.5677930 0.0230047 -0.0234193 0.0471847 2.4257252 4 Sr 2.5639725 -0.1442364 -0.2106607 -0.1371117 2.4198370 0.0263013 -0.1483663 0.0278284 2.5148259 5 Sr 2.6164755 0.1339868 -0.0084356 0.0851065 2.5677930 0.0230047 -0.0234193 0.0471847 2.4257252 6 Sr 2.5639725 0.1442364 -0.2106607 0.1371117 2.4198370 -0.0263013 -0.1483663 -0.0278284 2.5148259 7 Sr 2.5639725 0.1442364 -0.2106607 0.1371117 2.4198370 -0.0263013 -0.1483663 -0.0278284 2.5148259 8 Sr 2.5639725 -0.1442364 -0.2106607 -0.1371117 2.4198370 0.0263013 -0.1483663 0.0278284 2.5148259 9 Ga 2.4982812 -0.0113579 0.1134380 -0.0757975 2.8133393 0.2445798 0.0124014 -0.2381939 2.7177969 10 Ga 2.3792455 -0.1359484 -0.3921374 -0.0985767 2.7473009 0.0029530 0.0239842 0.2125711 2.6484469 11 Ga 2.3792455 0.1359484 -0.3921374 0.0985767 2.7473009 -0.0029530 0.0239842 -0.2125711 2.6484469 12 Ga 2.4982812 0.0113579 0.1134380 0.0757975 2.8133393 -0.2445798 0.0124014 0.2381939 2.7177969 13 Ga 2.4317588 0.1791526 0.4077603 0.1221471 2.9297123 -0.1596769 -0.0501977 0.1806645 2.6452538 14 Ga 2.5062624 0.0121153 -0.0330369 0.1045635 2.6208510 0.1067252 0.0392838 -0.2927252 2.7767500 15 Ga 2.5062624 -0.0121153 -0.0330369 -0.1045635 2.6208510 -0.1067252 0.0392838 0.2927252 2.7767500 16 Ga 2.3792455 0.1359484 -0.3921374 0.0985767 2.7473009 -0.0029530 0.0239842 -0.2125711 2.6484469 17 Ga 2.4317588 -0.1791526 0.4077603 -0.1221471 2.9297123 0.1596769 -0.0501977 -0.1806645 2.6452538 18 Ga 2.5062624 0.0121153 -0.0330369 0.1045635 2.6208510 0.1067252 0.0392838 -0.2927252 2.7767500 19 Ga 2.5062624 -0.0121153 -0.0330369 -0.1045635 2.6208510 -0.1067252 0.0392838 0.2927252 2.7767500 20 Ga 2.4982812 0.0113579 0.1134380 0.0757975 2.8133393 -0.2445798 0.0124014 0.2381939 2.7177969 21 Ga 2.4317588 -0.1791526 0.4077603 -0.1221471 2.9297123 0.1596769 -0.0501977 -0.1806645 2.6452538 22 Ga 2.4317588 0.1791526 0.4077603 0.1221471 2.9297123 -0.1596769 -0.0501977 0.1806645 2.6452538 23 Ga 2.3792455 -0.1359484 -0.3921374 -0.0985767 2.7473009 0.0029530 0.0239842 0.2125711 2.6484469 24 Ga 2.4982812 -0.0113579 0.1134380 -0.0757975 2.8133393 0.2445798 0.0124014 -0.2381939 2.7177969 25 O -1.7338543 -0.1215155 -0.1665252 -0.1274257 -2.2818061 0.1640201 -0.1744534 0.1785877 -1.9076599 26 O -1.7059292 -0.1968014 0.4067587 -0.1958657 -1.7580625 -0.0003614 0.2285943 -0.0594403 -2.3968672 27 O -1.7915148 -0.0843617 0.3997386 -0.1120494 -2.2833873 -0.1681287 0.4065510 -0.1259513 -1.8158540 28 O -1.7059292 0.1968014 0.4067587 0.1958657 -1.7580625 0.0003614 0.2285943 0.0594403 -2.3968672 29 O -1.5819568 0.3416394 0.0903892 0.2909107 -2.3299698 0.3169136 0.0333525 0.3224564 -1.9391726 30 O -1.5819568 -0.3416394 0.0903892 -0.2909107 -2.3299698 -0.3169136 0.0333525 -0.3224564 -1.9391726 31 O -2.5327548 0.0887111 0.0226172 0.0720574 -1.7633221 0.0232402 0.0346164 0.0639837 -1.5074376 32 O -1.7915148 -0.0843617 0.3997386 -0.1120494 -2.2833873 -0.1681287 0.4065510 -0.1259513 -1.8158540 33 O -2.3478131 0.0351861 0.0388879 -0.0343160 -1.5501962 0.0635127 0.0734014 0.0454687 -1.8189207 34 O -1.7338543 0.1215155 -0.1665252 0.1274257 -2.2818061 -0.1640201 -0.1744534 -0.1785877 -1.9076599 35 O -1.5819568 0.3416394 0.0903892 0.2909107 -2.3299698 0.3169136 0.0333525 0.3224564 -1.9391726 36 O -1.6362186 0.2473477 -0.4299505 0.2264893 -1.8294231 -0.0443501 -0.2684095 -0.1035985 -2.3774881 37 O -1.7059292 0.1968014 0.4067587 0.1958657 -1.7580625 0.0003614 0.2285943 0.0594403 -2.3968672 38 O -1.7915148 0.0843617 0.3997386 0.1120494 -2.2833873 0.1681287 0.4065510 0.1259513 -1.8158540 39 O -1.6362186 -0.2473477 -0.4299505 -0.2264893 -1.8294231 0.0443501 -0.2684095 0.1035985 -2.3774881 40 O -2.3478131 -0.0351861 0.0388879 0.0343160 -1.5501962 -0.0635127 0.0734014 -0.0454687 -1.8189207 41 O -1.7338543 -0.1215155 -0.1665252 -0.1274257 -2.2818061 0.1640201 -0.1744534 0.1785877 -1.9076599 42 O -1.6659544 -0.1451279 -0.2388437 -0.1048943 -2.3026665 0.2235289 -0.1873388 0.1908247 -1.9653986 43 O -1.6659544 0.1451279 -0.2388437 0.1048943 -2.3026665 -0.2235289 -0.1873388 -0.1908247 -1.9653986 44 O -1.7915148 0.0843617 0.3997386 0.1120494 -2.2833873 0.1681287 0.4065510 0.1259513 -1.8158540 45 O -1.6659544 0.1451279 -0.2388437 0.1048943 -2.3026665 -0.2235289 -0.1873388 -0.1908247 -1.9653986 46 O -2.5327548 -0.0887111 0.0226172 -0.0720574 -1.7633221 -0.0232402 0.0346164 -0.0639837 -1.5074376 47 O -1.7059292 -0.1968014 0.4067587 -0.1958657 -1.7580625 -0.0003614 0.2285943 -0.0594403 -2.3968672 48 O -1.6362186 -0.2473477 -0.4299505 -0.2264893 -1.8294231 0.0443501 -0.2684095 0.1035985 -2.3774881 49 O -1.5819568 -0.3416394 0.0903892 -0.2909107 -2.3299698 -0.3169136 0.0333525 -0.3224564 -1.9391726 50 O -2.3478131 -0.0351861 0.0388879 0.0343160 -1.5501962 -0.0635127 0.0734014 -0.0454687 -1.8189207 51 O -2.3478131 0.0351861 0.0388879 -0.0343160 -1.5501962 0.0635127 0.0734014 0.0454687 -1.8189207 52 O -1.7338543 0.1215155 -0.1665252 0.1274257 -2.2818061 -0.1640201 -0.1744534 -0.1785877 -1.9076599 53 O -1.6362186 0.2473477 -0.4299505 0.2264893 -1.8294231 -0.0443501 -0.2684095 -0.1035985 -2.3774881 54 O -1.6659544 -0.1451279 -0.2388437 -0.1048943 -2.3026665 0.2235289 -0.1873388 0.1908247 -1.9653986 55 O -2.5327548 -0.0887111 0.0226172 -0.0720574 -1.7633221 -0.0232402 0.0346164 -0.0639837 -1.5074376 56 O -2.5327548 0.0887111 0.0226172 0.0720574 -1.7633221 0.0232402 0.0346164 0.0639837 -1.5074376 ---------------------------------------------------------------------------- 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 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 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 1.396 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.831 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 11.964 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 13.861 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.423 ( 0.000 0.000 0.000) 0.000 14.436 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 14.873 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 0.000 0.000) 0.000 14.994 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.502 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.719 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 16.666 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 17.162 ( 0.000 0.000 0.000) 0.000 17.192 ( 0.000 0.000 0.000) 0.000 17.207 ( 0.000 0.000 0.000) 0.000 17.418 ( 0.000 0.000 0.000) 0.000 17.611 ( 0.000 0.000 0.000) 0.000 17.653 ( 0.000 0.000 0.000) 0.000 17.730 ( 0.000 0.000 0.000) 0.000 17.804 ( 0.000 0.000 0.000) 0.000 18.104 ( 0.000 0.000 0.000) 0.000 18.370 ( 0.000 0.000 0.000) 0.000 18.459 ( 0.000 0.000 0.000) 0.000 18.739 ( 0.000 0.000 0.000) 0.000 19.109 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.324 ( 0.000 0.000 0.000) 0.000 19.432 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.817 ( 0.000 0.000 0.000) 0.000 19.947 ( 0.000 0.000 0.000) 0.000 20.080 ( 0.000 0.000 0.000) 0.000 20.323 ( 0.000 0.000 0.000) 0.000 20.415 ( 0.000 0.000 0.000) 0.000 20.804 ( 0.000 0.000 0.000) 0.000 21.181 ( 0.000 0.000 0.000) 0.000 21.483 ( 0.000 0.000 0.000) 0.000 21.504 ( 0.000 0.000 0.000) 0.000 21.601 ( 0.000 0.000 0.000) 0.000 21.762 ( 0.000 0.000 0.000) 0.000 21.788 ( 0.000 0.000 0.000) 0.000 21.889 ( 0.000 0.000 0.000) 0.000 22.086 ( 0.000 0.000 0.000) 0.000 22.296 ( 0.000 0.000 0.000) 0.000 22.309 ( 0.000 0.000 0.000) 0.000 22.443 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 16.710 0.000 19.178) 25.437 0.558 ( 19.355 0.000 19.088) 27.184 0.933 ( 26.725 0.000 34.009) 43.253 1.452 ( 7.404 0.000 -1.789) 7.617 1.583 ( 11.539 0.000 3.030) 11.930 1.797 ( 2.332 0.000 11.810) 12.039 1.964 ( -4.912 0.000 3.599) 6.090 2.030 ( 5.857 0.000 -4.865) 7.614 2.060 ( 0.452 0.000 6.491) 6.507 2.325 ( -1.705 0.000 4.683) 4.984 2.347 ( -1.692 0.000 3.999) 4.343 2.589 ( 1.521 0.000 0.478) 1.595 2.603 ( 3.918 0.000 7.255) 8.246 2.609 ( -4.482 0.000 0.014) 4.482 2.612 ( 4.956 0.000 -7.834) 9.269 2.742 ( -3.906 0.000 3.455) 5.215 2.813 ( -4.223 0.000 -5.410) 6.863 2.853 ( -4.786 0.000 -6.485) 8.060 2.930 ( -4.006 0.000 -2.258) 4.599 3.046 ( 1.243 0.000 4.201) 4.381 3.051 ( 2.640 0.000 1.348) 2.964 3.098 ( 0.327 0.000 -3.554) 3.569 3.171 ( -11.537 0.000 0.289) 11.540 3.187 ( -2.137 0.000 -0.685) 2.244 3.351 ( 0.070 0.000 -7.589) 7.589 3.378 ( -1.376 0.000 -3.269) 3.546 3.411 ( -3.140 0.000 -2.623) 4.092 3.451 ( 0.271 0.000 -2.779) 2.792 3.535 ( 4.939 0.000 0.999) 5.039 3.601 ( -1.308 0.000 -2.632) 2.939 3.610 ( -1.357 0.000 0.087) 1.360 3.691 ( 4.356 0.000 2.621) 5.083 3.702 ( -2.940 0.000 6.824) 7.430 3.755 ( -0.574 0.000 3.891) 3.933 3.783 ( -2.276 0.000 -0.748) 2.396 3.798 ( 3.676 0.000 10.175) 10.818 3.824 ( -0.748 0.000 2.225) 2.347 3.929 ( -2.110 0.000 -0.324) 2.135 3.977 ( 2.730 0.000 -6.867) 7.390 4.030 ( -0.836 0.000 5.244) 5.310 4.116 ( 1.273 0.000 -2.179) 2.524 4.182 ( 3.224 0.000 1.117) 3.412 4.221 ( -1.233 0.000 3.943) 4.131 4.637 ( 0.544 0.000 -0.482) 0.727 4.665 ( 0.017 0.000 9.777) 9.777 4.770 ( -6.563 0.000 -11.480) 13.224 4.804 ( -1.929 0.000 3.374) 3.886 4.850 ( -5.508 0.000 -8.134) 9.824 4.935 ( 1.546 0.000 0.938) 1.808 4.983 ( -4.343 0.000 -11.579) 12.367 5.068 ( -1.118 0.000 -0.657) 1.297 5.220 ( -4.369 0.000 -6.363) 7.718 5.317 ( 1.962 0.000 -10.963) 11.137 5.435 ( -5.039 0.000 -10.054) 11.246 5.464 ( -8.730 0.000 2.205) 9.004 5.474 ( 1.166 0.000 3.899) 4.069 5.631 ( -1.387 0.000 -2.539) 2.893 5.708 ( -2.728 0.000 3.629) 4.539 5.768 ( 5.692 0.000 10.187) 11.669 5.831 ( 2.357 0.000 -0.777) 2.482 5.875 ( -5.079 0.000 1.001) 5.176 5.887 ( -1.163 0.000 0.398) 1.230 5.996 ( -1.705 0.000 2.646) 3.148 6.081 ( -1.537 0.000 0.144) 1.543 6.193 ( 2.513 0.000 -2.081) 3.263 6.257 ( 5.430 0.000 2.409) 5.940 6.274 ( -2.125 0.000 -3.778) 4.334 6.395 ( 5.753 0.000 -4.937) 7.580 6.530 ( 3.935 0.000 -2.023) 4.425 6.617 ( 2.465 0.000 4.294) 4.951 6.635 ( -3.824 0.000 -7.651) 8.553 6.851 ( 0.894 0.000 0.200) 0.916 6.858 ( 3.181 0.000 2.247) 3.894 7.032 ( -1.603 0.000 -0.119) 1.607 7.083 ( -7.313 0.000 -1.336) 7.434 7.144 ( 0.614 0.000 5.766) 5.799 7.183 ( 5.307 0.000 6.956) 8.749 7.249 ( -0.200 0.000 -1.982) 1.992 7.255 ( -3.793 0.000 1.294) 4.008 7.434 ( 0.054 0.000 -0.179) 0.187 7.465 ( 2.178 0.000 -3.980) 4.537 7.498 ( 4.612 0.000 -1.750) 4.933 7.503 ( 3.120 0.000 0.047) 3.120 7.744 ( -5.088 0.000 -7.245) 8.853 7.752 ( 2.373 0.000 -0.129) 2.377 7.850 ( 2.971 0.000 6.652) 7.285 7.858 ( -0.195 0.000 0.858) 0.880 8.004 ( -3.568 0.000 7.055) 7.906 8.061 ( 2.427 0.000 2.275) 3.326 8.198 ( -0.425 0.000 -4.383) 4.403 8.561 ( 0.902 0.000 -2.915) 3.051 8.577 ( 19.434 0.000 -19.294) 27.385 8.679 ( 5.329 0.000 -0.952) 5.414 8.913 ( 2.189 0.000 6.000) 6.387 8.982 ( 5.263 0.000 0.322) 5.273 9.257 ( 3.929 0.000 -6.901) 7.941 9.339 ( -0.571 0.000 3.647) 3.691 9.459 ( 3.222 0.000 -8.495) 9.086 9.703 ( -1.456 0.000 -7.702) 7.839 9.806 ( -3.862 0.000 -0.607) 3.910 9.911 ( -0.313 0.000 0.937) 0.988 10.105 ( -4.382 0.000 8.277) 9.366 10.133 ( 2.858 0.000 4.954) 5.719 10.231 ( 2.206 0.000 -3.448) 4.094 11.775 ( 0.560 0.000 1.584) 1.681 11.935 ( -2.234 0.000 -0.033) 2.234 11.967 ( -8.085 0.000 7.778) 11.219 11.968 ( -0.570 0.000 1.155) 1.288 13.685 ( 12.900 0.000 -12.964) 18.288 13.897 ( 5.171 0.000 -1.000) 5.267 14.182 ( 0.548 0.000 1.362) 1.468 14.415 ( 0.336 0.000 -2.273) 2.298 14.430 ( 0.966 0.000 -0.279) 1.006 14.490 ( -3.193 0.000 -3.852) 5.003 14.683 ( -0.237 0.000 2.906) 2.916 14.718 ( -2.358 0.000 1.459) 2.773 14.736 ( 0.473 0.000 -0.323) 0.573 14.847 ( 4.331 0.000 3.553) 5.602 14.860 ( 0.769 0.000 3.218) 3.308 14.935 ( 0.594 0.000 0.132) 0.608 14.968 ( 1.856 0.000 -3.486) 3.949 15.217 ( 0.614 0.000 1.981) 2.074 15.319 ( -11.866 0.000 -1.942) 12.024 15.443 ( -5.520 0.000 0.936) 5.599 15.534 ( -0.870 0.000 -3.516) 3.622 15.653 ( 1.876 0.000 1.331) 2.300 15.716 ( 0.555 0.000 -0.838) 1.005 15.793 ( 2.027 0.000 13.925) 14.072 16.241 ( -18.535 0.000 21.567) 28.437 16.423 ( -8.775 0.000 -2.645) 9.165 16.669 ( 1.034 0.000 -1.128) 1.530 16.703 ( 6.259 0.000 -0.324) 6.267 17.057 ( -4.890 0.000 1.681) 5.171 17.146 ( -0.734 0.000 -0.137) 0.747 17.162 ( -4.240 0.000 7.003) 8.187 17.235 ( 1.285 0.000 1.559) 2.021 17.250 ( 7.451 0.000 -10.793) 13.115 17.425 ( 0.318 0.000 0.171) 0.361 17.602 ( -1.025 0.000 -0.198) 1.044 17.641 ( -0.841 0.000 -1.061) 1.354 17.735 ( -0.361 0.000 1.605) 1.645 17.842 ( 0.772 0.000 4.781) 4.843 18.202 ( 6.154 0.000 -4.962) 7.905 18.381 ( 1.878 0.000 -0.899) 2.082 18.491 ( 2.777 0.000 1.391) 3.106 18.695 ( -1.510 0.000 -4.914) 5.141 19.111 ( 0.782 0.000 -1.362) 1.571 19.115 ( -3.210 0.000 1.070) 3.384 19.341 ( 1.348 0.000 0.907) 1.625 19.478 ( 2.467 0.000 1.092) 2.698 19.824 ( 1.410 0.000 0.891) 1.668 19.944 ( -2.623 0.000 0.979) 2.799 19.958 ( -1.784 0.000 -1.191) 2.145 20.053 ( -0.976 0.000 -1.677) 1.940 20.483 ( 1.919 0.000 6.003) 6.303 20.702 ( -7.638 0.000 -4.709) 8.972 21.061 ( -10.062 0.000 -4.806) 11.151 21.122 ( -19.676 0.000 22.805) 30.120 21.471 ( -1.604 0.000 -0.336) 1.639 21.519 ( -3.064 0.000 3.308) 4.508 21.630 ( 2.201 0.000 1.160) 2.488 21.773 ( 1.281 0.000 -1.327) 1.845 21.811 ( 2.434 0.000 0.195) 2.442 21.892 ( 0.945 0.000 0.161) 0.958 22.122 ( 4.378 0.000 0.095) 4.379 22.312 ( 0.769 0.000 -0.459) 0.896 22.492 ( 5.679 0.000 0.634) 5.715 22.744 ( 19.235 0.000 -22.556) 29.644 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 12.186 0.000 14.178) 18.695 1.097 ( 18.108 0.000 17.300) 25.044 1.523 ( 7.913 0.000 -6.590) 10.298 1.625 ( 15.958 0.000 16.586) 23.016 1.874 ( 10.722 0.000 10.095) 14.726 1.979 ( 4.199 0.000 2.476) 4.875 1.994 ( 0.986 0.000 5.190) 5.282 2.089 ( 6.337 0.000 1.184) 6.446 2.216 ( 3.992 0.000 14.492) 15.032 2.338 ( -7.264 0.000 -0.035) 7.264 2.348 ( -4.281 0.000 5.387) 6.881 2.479 ( -12.041 0.000 5.434) 13.210 2.525 ( -1.944 0.000 -7.144) 7.404 2.593 ( 0.785 0.000 1.137) 1.381 2.643 ( -2.639 0.000 -6.209) 6.747 2.664 ( -5.114 0.000 -7.198) 8.830 2.718 ( -0.243 0.000 0.846) 0.881 2.787 ( -2.203 0.000 -2.622) 3.424 2.890 ( 2.898 0.000 7.453) 7.996 3.006 ( 0.364 0.000 -0.501) 0.619 3.080 ( -5.725 0.000 4.451) 7.252 3.088 ( -3.213 0.000 0.055) 3.213 3.153 ( -2.409 0.000 0.607) 2.485 3.213 ( 2.175 0.000 2.537) 3.342 3.309 ( 2.865 0.000 -1.213) 3.111 3.342 ( -0.097 0.000 -4.441) 4.442 3.372 ( 2.604 0.000 0.522) 2.656 3.377 ( 2.311 0.000 2.113) 3.132 3.569 ( -0.279 0.000 -7.507) 7.512 3.580 ( -2.750 0.000 1.124) 2.971 3.596 ( -0.005 0.000 1.456) 1.456 3.678 ( -0.426 0.000 -2.788) 2.821 3.679 ( -6.347 0.000 -0.874) 6.407 3.754 ( -1.422 0.000 3.498) 3.776 3.830 ( -0.546 0.000 4.246) 4.281 3.841 ( 1.072 0.000 1.078) 1.521 3.878 ( -3.267 0.000 5.029) 5.997 3.990 ( 5.509 0.000 6.454) 8.485 4.012 ( 8.249 0.000 -3.703) 9.042 4.102 ( 0.719 0.000 3.597) 3.668 4.145 ( 1.105 0.000 5.080) 5.199 4.154 ( -6.513 0.000 -4.997) 8.209 4.274 ( -0.477 0.000 4.731) 4.755 4.542 ( 2.410 0.000 -9.307) 9.614 4.581 ( -3.396 0.000 -5.524) 6.484 4.669 ( -6.782 0.000 -3.902) 7.824 4.772 ( -0.243 0.000 4.484) 4.491 4.834 ( -1.455 0.000 3.268) 3.577 4.840 ( 2.806 0.000 -5.409) 6.094 4.977 ( -0.603 0.000 -3.892) 3.938 5.020 ( -4.688 0.000 -2.847) 5.485 5.076 ( 0.551 0.000 0.017) 0.551 5.179 ( -2.756 0.000 -9.668) 10.053 5.304 ( -2.590 0.000 2.399) 3.530 5.311 ( -14.954 0.000 2.506) 15.162 5.483 ( -3.845 0.000 2.926) 4.832 5.589 ( 1.368 0.000 -2.210) 2.599 5.685 ( 1.615 0.000 -2.047) 2.607 5.793 ( -2.189 0.000 -4.571) 5.068 5.877 ( 1.214 0.000 2.387) 2.677 5.892 ( -1.201 0.000 1.503) 1.924 5.898 ( -1.136 0.000 0.205) 1.154 6.042 ( 0.182 0.000 4.279) 4.283 6.056 ( -0.797 0.000 0.245) 0.834 6.154 ( 0.540 0.000 -7.523) 7.543 6.215 ( 2.285 0.000 -4.397) 4.955 6.266 ( -5.270 0.000 -5.138) 7.361 6.368 ( -3.122 0.000 -9.553) 10.050 6.432 ( 6.945 0.000 -2.657) 7.435 6.647 ( 4.704 0.000 -2.597) 5.373 6.721 ( 2.304 0.000 6.300) 6.708 6.844 ( -5.012 0.000 -3.374) 6.042 6.871 ( -1.925 0.000 4.178) 4.600 7.003 ( -1.849 0.000 -0.650) 1.960 7.076 ( -0.267 0.000 6.160) 6.165 7.103 ( -4.708 0.000 -4.526) 6.531 7.223 ( -1.371 0.000 2.181) 2.576 7.288 ( 0.345 0.000 2.931) 2.951 7.368 ( 5.873 0.000 5.154) 7.814 7.393 ( -0.705 0.000 -7.333) 7.367 7.401 ( 1.374 0.000 -1.665) 2.159 7.527 ( -5.506 0.000 -4.918) 7.383 7.594 ( 4.564 0.000 -1.804) 4.907 7.598 ( 6.969 0.000 1.108) 7.057 7.806 ( 4.364 0.000 -0.560) 4.400 7.887 ( -1.134 0.000 4.753) 4.886 7.930 ( 0.630 0.000 0.672) 0.921 8.095 ( 3.300 0.000 -4.998) 5.989 8.116 ( 2.382 0.000 0.307) 2.402 8.132 ( -0.750 0.000 6.216) 6.261 8.542 ( 1.368 0.000 -1.601) 2.106 8.611 ( 4.836 0.000 -3.618) 6.039 8.804 ( 8.535 0.000 2.625) 8.929 9.007 ( -1.190 0.000 -2.590) 2.851 9.044 ( 5.135 0.000 3.834) 6.408 9.238 ( 9.299 0.000 -11.428) 14.733 9.399 ( -1.170 0.000 7.413) 7.505 9.482 ( 7.145 0.000 2.247) 7.490 9.583 ( -0.133 0.000 -7.351) 7.352 9.725 ( -7.166 0.000 2.086) 7.463 9.928 ( 0.213 0.000 1.504) 1.519 10.123 ( -2.231 0.000 0.779) 2.363 10.219 ( -0.109 0.000 -0.391) 0.405 10.237 ( 2.599 0.000 3.369) 4.255 11.806 ( 0.101 0.000 1.855) 1.858 11.887 ( -2.918 0.000 -0.773) 3.019 11.940 ( -4.240 0.000 2.448) 4.895 11.973 ( -0.983 0.000 1.296) 1.626 13.722 ( 6.715 0.000 -4.272) 7.959 13.977 ( 7.684 0.000 -2.312) 8.024 14.241 ( 3.198 0.000 3.449) 4.703 14.375 ( -4.245 0.000 -4.032) 5.855 14.395 ( 0.176 0.000 -1.872) 1.880 14.444 ( 1.887 0.000 -1.117) 2.193 14.702 ( -0.926 0.000 1.110) 1.445 14.703 ( -1.453 0.000 -0.597) 1.571 14.715 ( -2.172 0.000 3.797) 4.374 14.920 ( -1.127 0.000 -4.183) 4.333 14.940 ( -1.581 0.000 2.084) 2.616 14.974 ( 4.967 0.000 1.731) 5.260 14.977 ( 2.616 0.000 6.152) 6.685 15.133 ( -6.405 0.000 -3.345) 7.226 15.244 ( -0.517 0.000 1.579) 1.661 15.351 ( -7.072 0.000 0.594) 7.097 15.466 ( -0.865 0.000 -2.810) 2.940 15.714 ( 1.442 0.000 -1.877) 2.367 15.724 ( 2.335 0.000 4.130) 4.744 15.989 ( 5.225 0.000 5.660) 7.703 16.249 ( -8.900 0.000 -2.655) 9.287 16.253 ( -9.097 0.000 12.809) 15.710 16.657 ( 1.322 0.000 -3.979) 4.192 16.763 ( 3.723 0.000 -2.089) 4.269 17.015 ( -1.247 0.000 -0.468) 1.332 17.153 ( 0.740 0.000 1.188) 1.399 17.167 ( -1.708 0.000 0.255) 1.727 17.234 ( 0.544 0.000 0.005) 0.544 17.277 ( 0.909 0.000 2.211) 2.390 17.423 ( 0.428 0.000 -1.427) 1.490 17.575 ( -3.229 0.000 1.089) 3.408 17.593 ( -0.865 0.000 -3.933) 4.027 17.773 ( 0.764 0.000 3.665) 3.743 17.951 ( 1.127 0.000 8.730) 8.803 18.232 ( 6.311 0.000 -5.357) 8.278 18.386 ( 1.288 0.000 -3.307) 3.549 18.575 ( 5.129 0.000 1.718) 5.409 18.584 ( -1.741 0.000 -5.654) 5.916 19.087 ( -3.863 0.000 0.549) 3.901 19.116 ( -1.162 0.000 4.025) 4.189 19.389 ( 3.614 0.000 0.588) 3.662 19.502 ( 1.529 0.000 -0.909) 1.779 19.860 ( -4.427 0.000 -2.312) 4.995 19.898 ( 2.704 0.000 3.575) 4.482 19.958 ( 1.479 0.000 -0.433) 1.541 20.024 ( 0.373 0.000 -1.290) 1.343 20.492 ( -9.541 0.000 -5.523) 11.024 20.588 ( -0.461 0.000 6.162) 6.179 20.786 ( -12.379 0.000 -7.971) 14.723 21.123 ( -7.668 0.000 8.837) 11.700 21.427 ( -2.951 0.000 -0.557) 3.003 21.511 ( -3.454 0.000 3.175) 4.691 21.681 ( 2.277 0.000 0.989) 2.482 21.748 ( -0.150 0.000 -3.072) 3.076 21.856 ( 2.910 0.000 -0.067) 2.911 21.924 ( 2.278 0.000 0.085) 2.280 22.207 ( 5.309 0.000 0.616) 5.345 22.317 ( 0.962 0.000 -0.899) 1.317 22.620 ( 7.939 0.000 1.805) 8.142 22.737 ( 7.165 0.000 -8.893) 11.420 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 5.520 0.000 3.361) 6.463 1.537 ( 8.106 0.000 -6.703) 10.518 1.540 ( 12.498 0.000 11.654) 17.089 1.966 ( 8.894 0.000 7.447) 11.600 1.981 ( -11.025 0.000 -10.049) 14.917 2.005 ( -0.753 0.000 2.558) 2.667 2.089 ( 4.975 0.000 3.778) 6.247 2.127 ( 1.298 0.000 10.274) 10.356 2.249 ( -1.734 0.000 1.033) 2.018 2.324 ( -0.700 0.000 -2.667) 2.758 2.358 ( 3.479 0.000 -9.620) 10.229 2.449 ( -4.533 0.000 6.936) 8.286 2.458 ( -7.804 0.000 2.694) 8.256 2.561 ( -2.744 0.000 -4.417) 5.200 2.613 ( 1.506 0.000 10.172) 10.282 2.620 ( 0.127 0.000 1.390) 1.396 2.708 ( -2.083 0.000 4.501) 4.960 2.814 ( 1.978 0.000 7.054) 7.326 3.007 ( 1.977 0.000 0.287) 1.997 3.017 ( -2.001 0.000 -3.242) 3.809 3.072 ( -5.619 0.000 1.011) 5.710 3.084 ( 3.808 0.000 3.085) 4.901 3.123 ( 6.260 0.000 5.480) 8.319 3.179 ( -4.727 0.000 -12.147) 13.035 3.239 ( 0.558 0.000 0.934) 1.088 3.328 ( -1.238 0.000 -0.258) 1.264 3.415 ( -3.650 0.000 -5.651) 6.727 3.462 ( 2.634 0.000 0.368) 2.660 3.525 ( 3.274 0.000 4.088) 5.238 3.560 ( -4.385 0.000 1.450) 4.618 3.586 ( -2.820 0.000 3.227) 4.286 3.629 ( -1.343 0.000 4.192) 4.402 3.700 ( 4.003 0.000 1.700) 4.349 3.822 ( -3.178 0.000 -3.133) 4.462 3.822 ( 1.771 0.000 2.578) 3.128 3.867 ( 2.925 0.000 1.321) 3.209 3.944 ( 2.004 0.000 3.223) 3.795 3.955 ( -1.695 0.000 -1.823) 2.489 4.096 ( 4.372 0.000 0.825) 4.449 4.142 ( 8.400 0.000 -4.371) 9.470 4.155 ( -1.810 0.000 2.404) 3.009 4.227 ( 2.775 0.000 3.056) 4.128 4.257 ( -4.895 0.000 0.244) 4.901 4.460 ( -1.468 0.000 -4.220) 4.468 4.510 ( -1.940 0.000 -3.859) 4.320 4.633 ( 0.814 0.000 7.607) 7.651 4.675 ( -12.503 0.000 -4.507) 13.291 4.788 ( -1.290 0.000 -0.291) 1.323 4.893 ( 3.988 0.000 2.442) 4.676 4.939 ( -0.366 0.000 5.792) 5.803 5.026 ( -7.088 0.000 1.134) 7.178 5.036 ( 5.436 0.000 -3.801) 6.633 5.089 ( 2.579 0.000 -3.279) 4.171 5.149 ( -4.179 0.000 -2.532) 4.886 5.341 ( -1.088 0.000 5.987) 6.085 5.487 ( 1.012 0.000 -0.212) 1.034 5.622 ( 4.159 0.000 0.266) 4.167 5.648 ( -2.212 0.000 -4.541) 5.051 5.722 ( -0.054 0.000 0.074) 0.091 5.820 ( -7.469 0.000 -4.851) 8.906 5.862 ( -2.548 0.000 -0.382) 2.576 5.870 ( -5.488 0.000 -4.290) 6.965 5.992 ( -1.035 0.000 -8.711) 8.773 6.025 ( -0.990 0.000 -4.439) 4.548 6.094 ( -3.282 0.000 5.112) 6.075 6.116 ( 0.139 0.000 -6.620) 6.621 6.197 ( 7.369 0.000 -0.498) 7.386 6.316 ( -0.433 0.000 1.849) 1.899 6.501 ( 2.587 0.000 0.521) 2.639 6.652 ( 2.988 0.000 -4.539) 5.434 6.737 ( -3.346 0.000 -3.144) 4.591 6.838 ( -4.932 0.000 -3.939) 6.311 6.841 ( 2.213 0.000 4.795) 5.281 6.960 ( -2.152 0.000 2.175) 3.060 7.006 ( -8.399 0.000 -1.302) 8.499 7.009 ( -1.371 0.000 -1.346) 1.921 7.294 ( -0.401 0.000 -6.449) 6.461 7.299 ( 2.878 0.000 -0.021) 2.878 7.300 ( -0.642 0.000 0.667) 0.926 7.383 ( 0.634 0.000 -1.426) 1.560 7.428 ( -1.012 0.000 4.074) 4.198 7.542 ( 6.130 0.000 3.545) 7.081 7.663 ( 4.014 0.000 -0.897) 4.113 7.687 ( 2.156 0.000 0.338) 2.183 7.860 ( 4.293 0.000 -1.588) 4.577 7.914 ( -1.313 0.000 -1.463) 1.966 7.918 ( -4.044 0.000 5.168) 6.562 8.011 ( -1.161 0.000 -4.420) 4.570 8.167 ( 3.722 0.000 0.300) 3.734 8.256 ( 3.056 0.000 3.784) 4.863 8.558 ( 1.394 0.000 0.123) 1.399 8.622 ( 0.277 0.000 -0.456) 0.534 8.925 ( -3.122 0.000 -2.836) 4.217 8.978 ( 6.573 0.000 4.391) 7.904 9.133 ( 2.877 0.000 -0.597) 2.939 9.279 ( 13.084 0.000 -7.320) 14.992 9.504 ( 0.903 0.000 7.479) 7.533 9.514 ( 0.976 0.000 -3.852) 3.974 9.566 ( -7.231 0.000 2.550) 7.668 9.746 ( 5.275 0.000 7.821) 9.433 9.953 ( 0.415 0.000 1.227) 1.295 10.061 ( -0.107 0.000 -6.705) 6.706 10.208 ( -3.202 0.000 2.274) 3.927 10.291 ( 0.923 0.000 0.615) 1.109 11.823 ( -0.519 0.000 1.156) 1.268 11.835 ( -2.028 0.000 -0.899) 2.218 11.908 ( -2.383 0.000 0.717) 2.489 11.972 ( -0.725 0.000 0.619) 0.953 13.769 ( 3.608 0.000 -1.010) 3.746 14.075 ( 7.967 0.000 -0.912) 8.019 14.265 ( -3.098 0.000 -3.041) 4.341 14.327 ( -1.304 0.000 0.186) 1.317 14.376 ( 3.188 0.000 0.193) 3.193 14.465 ( 2.086 0.000 -0.308) 2.108 14.691 ( -0.838 0.000 1.305) 1.551 14.705 ( -0.289 0.000 0.859) 0.907 14.738 ( -1.663 0.000 3.815) 4.161 14.830 ( -2.602 0.000 -4.347) 5.066 14.930 ( -3.122 0.000 2.635) 4.085 14.978 ( -3.116 0.000 -1.673) 3.537 15.007 ( 0.594 0.000 -3.372) 3.424 15.131 ( 2.418 0.000 3.366) 4.144 15.248 ( -0.701 0.000 0.645) 0.953 15.265 ( -4.281 0.000 0.390) 4.299 15.474 ( 2.859 0.000 1.075) 3.055 15.712 ( 1.768 0.000 -1.658) 2.423 15.819 ( 2.416 0.000 3.809) 4.510 16.071 ( 0.764 0.000 -0.024) 0.764 16.087 ( -7.533 0.000 -2.027) 7.801 16.333 ( -2.216 0.000 11.897) 12.101 16.596 ( 0.348 0.000 -6.979) 6.988 16.774 ( 1.582 0.000 -1.789) 2.388 17.008 ( 0.398 0.000 0.030) 0.399 17.136 ( -0.946 0.000 -1.064) 1.424 17.187 ( 1.112 0.000 1.091) 1.558 17.253 ( -0.717 0.000 2.350) 2.457 17.322 ( 0.480 0.000 2.767) 2.808 17.404 ( 0.396 0.000 -1.919) 1.959 17.512 ( -3.034 0.000 -2.420) 3.880 17.546 ( -0.854 0.000 -1.044) 1.348 17.849 ( 1.624 0.000 4.140) 4.447 18.090 ( -0.130 0.000 10.034) 10.034 18.242 ( 5.353 0.000 -6.916) 8.746 18.309 ( -1.850 0.000 -5.800) 6.088 18.538 ( 1.124 0.000 -1.371) 1.773 18.688 ( 6.679 0.000 1.342) 6.813 18.996 ( -7.888 0.000 -0.053) 7.888 19.168 ( -0.381 0.000 4.481) 4.497 19.468 ( 5.072 0.000 0.606) 5.108 19.542 ( 4.977 0.000 0.406) 4.993 19.768 ( -3.563 0.000 -1.787) 3.986 19.915 ( -3.492 0.000 -0.744) 3.571 19.993 ( 3.277 0.000 0.434) 3.306 20.071 ( 4.589 0.000 1.980) 4.998 20.282 ( -8.531 0.000 -4.374) 9.587 20.428 ( -12.849 0.000 -7.252) 14.754 20.703 ( 0.881 0.000 3.119) 3.241 21.122 ( -3.024 0.000 3.457) 4.593 21.375 ( -2.334 0.000 -0.678) 2.430 21.502 ( -2.291 0.000 2.156) 3.146 21.705 ( -0.095 0.000 -2.547) 2.549 21.721 ( 1.361 0.000 0.584) 1.480 21.891 ( 1.867 0.000 -0.293) 1.890 21.954 ( 1.454 0.000 -0.091) 1.457 22.283 ( 3.182 0.000 0.479) 3.218 22.317 ( 0.580 0.000 -0.759) 0.956 22.729 ( 2.636 0.000 -3.534) 4.409 22.757 ( 5.615 0.000 1.881) 5.922 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.699 ( -0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.957 ( -0.000 0.000 0.000) 0.000 2.125 ( -0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 -0.000) 0.000 2.244 ( 0.000 0.000 -0.000) 0.000 2.283 ( -0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.388 ( -0.000 0.000 0.000) 0.000 2.464 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.977 ( -0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 -0.000) 0.000 3.004 ( -0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.232 ( -0.000 0.000 -0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.286 ( -0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 -0.000) 0.000 3.478 ( -0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.575 ( -0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 -0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 -0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.520 ( -0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 5.006 ( -0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 -0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.516 ( -0.000 0.000 -0.000) 0.000 5.620 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.716 ( -0.000 0.000 0.000) 0.000 5.763 ( -0.000 0.000 -0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.643 ( -0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.913 ( -0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 -0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.887 ( -0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 -0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.572 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.074 ( 0.000 0.000 0.000) 0.000 9.138 ( -0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.468 ( -0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.933 ( -0.000 0.000 -0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.194 ( -0.000 0.000 0.000) 0.000 10.297 ( -0.000 0.000 0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 11.825 ( 0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 0.000) 0.000 11.970 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 14.265 ( -0.000 0.000 0.000) 0.000 14.427 ( -0.000 0.000 0.000) 0.000 14.485 ( 0.000 0.000 0.000) 0.000 14.703 ( 0.000 0.000 0.000) 0.000 14.711 ( -0.000 0.000 0.000) 0.000 14.753 ( 0.000 0.000 0.000) 0.000 14.763 ( 0.000 0.000 0.000) 0.000 14.933 ( 0.000 0.000 0.000) 0.000 14.941 ( 0.000 0.000 0.000) 0.000 14.962 ( 0.000 0.000 -0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 15.515 ( 0.000 0.000 -0.000) 0.000 15.724 ( 0.000 0.000 0.000) 0.000 15.871 ( 0.000 0.000 0.000) 0.000 16.000 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.443 ( 0.000 0.000 0.000) 0.000 16.509 ( 0.000 0.000 -0.000) 0.000 16.773 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 0.000) 0.000 17.265 ( 0.000 0.000 -0.000) 0.000 17.352 ( 0.000 0.000 0.000) 0.000 17.393 ( 0.000 0.000 0.000) 0.000 17.462 ( 0.000 0.000 0.000) 0.000 17.531 ( -0.000 0.000 0.000) 0.000 17.899 ( 0.000 0.000 0.000) 0.000 18.186 ( 0.000 0.000 -0.000) 0.000 18.212 ( -0.000 0.000 0.000) 0.000 18.243 ( 0.000 0.000 0.000) 0.000 18.542 ( 0.000 0.000 0.000) 0.000 18.784 ( 0.000 0.000 0.000) 0.000 18.895 ( -0.000 0.000 0.000) 0.000 19.198 ( 0.000 0.000 0.000) 0.000 19.524 ( 0.000 0.000 0.000) 0.000 19.624 ( -0.000 0.000 0.000) 0.000 19.720 ( 0.000 0.000 0.000) 0.000 19.843 ( 0.000 0.000 0.000) 0.000 20.051 ( 0.000 0.000 0.000) 0.000 20.153 ( 0.000 0.000 0.000) 0.000 20.175 ( -0.000 0.000 -0.000) 0.000 20.215 ( 0.000 0.000 0.000) 0.000 20.735 ( 0.000 0.000 0.000) 0.000 21.122 ( 0.000 0.000 0.000) 0.000 21.350 ( 0.000 0.000 0.000) 0.000 21.499 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 0.000) 0.000 21.736 ( 0.000 0.000 0.000) 0.000 21.904 ( 0.000 0.000 0.000) 0.000 21.964 ( 0.000 0.000 0.000) 0.000 22.312 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 22.725 ( 0.000 0.000 0.000) 0.000 22.817 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/78) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 23.309 0.000) 23.309 0.545 ( 0.000 28.925 0.000) 28.925 1.097 ( 0.000 55.246 0.000) 55.246 1.327 ( 0.000 -6.773 0.000) 6.773 1.624 ( 0.000 9.815 0.000) 9.815 1.726 ( 0.000 4.003 0.000) 4.003 1.887 ( 0.000 -5.731 0.000) 5.731 1.895 ( 0.000 -10.878 0.000) 10.878 2.069 ( 0.000 2.912 0.000) 2.912 2.180 ( 0.000 -1.713 0.000) 1.713 2.239 ( 0.000 -12.630 0.000) 12.630 2.310 ( 0.000 1.738 0.000) 1.738 2.351 ( 0.000 1.546 0.000) 1.546 2.644 ( 0.000 -0.576 0.000) 0.576 2.734 ( 0.000 6.407 0.000) 6.407 2.840 ( 0.000 1.406 0.000) 1.406 2.846 ( 0.000 -0.389 0.000) 0.389 2.879 ( 0.000 -0.790 0.000) 0.790 2.934 ( 0.000 -3.515 0.000) 3.515 2.975 ( 0.000 2.408 0.000) 2.408 3.117 ( 0.000 4.935 0.000) 4.935 3.167 ( 0.000 -1.671 0.000) 1.671 3.219 ( 0.000 -7.732 0.000) 7.732 3.311 ( 0.000 -2.241 0.000) 2.241 3.373 ( 0.000 -3.165 0.000) 3.165 3.386 ( 0.000 -2.992 0.000) 2.992 3.443 ( 0.000 3.814 0.000) 3.814 3.467 ( 0.000 -8.159 0.000) 8.159 3.488 ( 0.000 -1.206 0.000) 1.206 3.528 ( 0.000 1.100 0.000) 1.100 3.590 ( 0.000 0.786 0.000) 0.786 3.591 ( 0.000 1.665 0.000) 1.665 3.668 ( 0.000 -3.039 0.000) 3.039 3.696 ( 0.000 -0.638 0.000) 0.638 3.733 ( 0.000 3.047 0.000) 3.047 3.801 ( 0.000 1.470 0.000) 1.470 3.866 ( 0.000 7.327 0.000) 7.327 3.900 ( 0.000 -4.736 0.000) 4.736 3.984 ( 0.000 5.214 0.000) 5.214 4.059 ( 0.000 0.070 0.000) 0.070 4.116 ( 0.000 5.731 0.000) 5.731 4.161 ( 0.000 -1.789 0.000) 1.789 4.222 ( 0.000 5.314 0.000) 5.314 4.429 ( 0.000 -15.004 0.000) 15.004 4.734 ( 0.000 2.595 0.000) 2.595 4.867 ( 0.000 2.187 0.000) 2.187 4.956 ( 0.000 3.384 0.000) 3.384 4.981 ( 0.000 2.322 0.000) 2.322 5.011 ( 0.000 -5.331 0.000) 5.331 5.173 ( 0.000 1.615 0.000) 1.615 5.209 ( 0.000 -4.291 0.000) 4.291 5.245 ( 0.000 -6.500 0.000) 6.500 5.345 ( 0.000 -8.820 0.000) 8.820 5.354 ( 0.000 -7.998 0.000) 7.998 5.489 ( 0.000 -2.744 0.000) 2.744 5.593 ( 0.000 -6.506 0.000) 6.506 5.660 ( 0.000 3.892 0.000) 3.892 5.695 ( 0.000 8.436 0.000) 8.436 5.749 ( 0.000 5.461 0.000) 5.461 5.846 ( 0.000 -4.370 0.000) 4.370 5.937 ( 0.000 -0.321 0.000) 0.321 5.957 ( 0.000 0.871 0.000) 0.871 5.975 ( 0.000 2.966 0.000) 2.966 6.046 ( 0.000 7.678 0.000) 7.678 6.207 ( 0.000 0.596 0.000) 0.596 6.242 ( 0.000 1.598 0.000) 1.598 6.242 ( 0.000 1.611 0.000) 1.611 6.395 ( 0.000 3.803 0.000) 3.803 6.464 ( 0.000 -3.714 0.000) 3.714 6.595 ( 0.000 -2.174 0.000) 2.174 6.738 ( 0.000 0.179 0.000) 0.179 6.859 ( 0.000 1.417 0.000) 1.417 6.919 ( 0.000 -9.561 0.000) 9.561 6.987 ( 0.000 2.461 0.000) 2.461 7.055 ( 0.000 -0.385 0.000) 0.385 7.124 ( 0.000 6.208 0.000) 6.208 7.126 ( 0.000 0.596 0.000) 0.596 7.224 ( 0.000 -4.773 0.000) 4.773 7.290 ( 0.000 0.621 0.000) 0.621 7.353 ( 0.000 -7.798 0.000) 7.798 7.356 ( 0.000 -4.018 0.000) 4.018 7.433 ( 0.000 -1.921 0.000) 1.921 7.560 ( 0.000 -3.694 0.000) 3.694 7.648 ( 0.000 3.173 0.000) 3.173 7.838 ( 0.000 0.976 0.000) 0.976 7.892 ( 0.000 9.799 0.000) 9.799 7.901 ( 0.000 0.612 0.000) 0.612 7.945 ( 0.000 -1.884 0.000) 1.884 8.152 ( 0.000 10.221 0.000) 10.221 8.240 ( 0.000 0.893 0.000) 0.893 8.314 ( 0.000 2.085 0.000) 2.085 8.567 ( 0.000 -1.137 0.000) 1.137 8.817 ( 0.000 -2.747 0.000) 2.747 8.894 ( 0.000 -3.634 0.000) 3.634 9.272 ( 0.000 -0.041 0.000) 0.041 9.309 ( 0.000 -0.687 0.000) 0.687 9.356 ( 0.000 1.202 0.000) 1.202 9.427 ( 0.000 -1.163 0.000) 1.163 9.797 ( 0.000 1.496 0.000) 1.496 9.828 ( 0.000 -1.065 0.000) 1.065 9.943 ( 0.000 2.964 0.000) 2.964 10.004 ( 0.000 1.454 0.000) 1.454 10.197 ( 0.000 -3.845 0.000) 3.845 10.224 ( 0.000 -2.137 0.000) 2.137 11.778 ( 0.000 1.538 0.000) 1.538 11.848 ( 0.000 0.474 0.000) 0.474 11.950 ( 0.000 -0.286 0.000) 0.286 11.953 ( 0.000 -0.981 0.000) 0.981 13.598 ( 0.000 3.080 0.000) 3.080 13.841 ( 0.000 -2.861 0.000) 2.861 14.182 ( 0.000 1.205 0.000) 1.205 14.379 ( 0.000 -4.185 0.000) 4.185 14.448 ( 0.000 1.306 0.000) 1.306 14.556 ( 0.000 -0.452 0.000) 0.452 14.589 ( 0.000 3.180 0.000) 3.180 14.675 ( 0.000 0.916 0.000) 0.916 14.726 ( 0.000 -0.265 0.000) 0.265 14.796 ( 0.000 1.100 0.000) 1.100 14.804 ( 0.000 -3.608 0.000) 3.608 14.893 ( 0.000 -0.267 0.000) 0.267 15.002 ( 0.000 0.879 0.000) 0.879 15.178 ( 0.000 -2.993 0.000) 2.993 15.335 ( 0.000 -1.910 0.000) 1.910 15.473 ( 0.000 -1.121 0.000) 1.121 15.634 ( 0.000 4.622 0.000) 4.622 15.651 ( 0.000 -0.684 0.000) 0.684 15.652 ( 0.000 2.971 0.000) 2.971 15.724 ( 0.000 0.356 0.000) 0.356 15.947 ( 0.000 4.480 0.000) 4.480 16.496 ( 0.000 -8.058 0.000) 8.058 16.618 ( 0.000 0.907 0.000) 0.907 16.671 ( 0.000 -0.041 0.000) 0.041 17.083 ( 0.000 1.224 0.000) 1.224 17.125 ( 0.000 -0.475 0.000) 0.475 17.169 ( 0.000 2.163 0.000) 2.163 17.252 ( 0.000 4.676 0.000) 4.676 17.282 ( 0.000 1.585 0.000) 1.585 17.430 ( 0.000 0.966 0.000) 0.966 17.596 ( 0.000 -3.244 0.000) 3.244 17.633 ( 0.000 -2.047 0.000) 2.047 17.795 ( 0.000 -0.426 0.000) 0.426 18.032 ( 0.000 -6.413 0.000) 6.413 18.407 ( 0.000 2.830 0.000) 2.830 18.459 ( 0.000 0.124 0.000) 0.124 18.786 ( 0.000 4.975 0.000) 4.975 19.074 ( 0.000 -3.016 0.000) 3.016 19.179 ( 0.000 2.394 0.000) 2.394 19.312 ( 0.000 -1.228 0.000) 1.228 19.360 ( 0.000 0.817 0.000) 0.817 19.446 ( 0.000 -1.321 0.000) 1.321 19.830 ( 0.000 1.444 0.000) 1.444 19.939 ( 0.000 -0.924 0.000) 0.924 20.075 ( 0.000 -0.441 0.000) 0.441 20.091 ( 0.000 -1.068 0.000) 1.068 20.341 ( 0.000 1.875 0.000) 1.875 20.506 ( 0.000 -2.564 0.000) 2.564 20.843 ( 0.000 3.861 0.000) 3.861 21.141 ( 0.000 -4.017 0.000) 4.017 21.517 ( 0.000 1.074 0.000) 1.074 21.613 ( 0.000 1.459 0.000) 1.459 21.613 ( 0.000 -2.411 0.000) 2.411 21.746 ( 0.000 -1.549 0.000) 1.549 21.880 ( 0.000 4.388 0.000) 4.388 21.910 ( 0.000 2.068 0.000) 2.068 22.076 ( 0.000 -1.037 0.000) 1.037 22.221 ( 0.000 -4.860 0.000) 4.860 22.363 ( 0.000 2.756 0.000) 2.756 22.469 ( 0.000 -1.059 0.000) 1.059 ======================= Grid point 10 (7/78) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 19.840 15.375 8.393) 26.466 0.817 ( 10.873 18.126 19.413) 28.699 1.312 ( 8.834 27.151 9.955) 30.238 1.408 ( 11.261 3.997 7.397) 14.054 1.681 ( 6.712 7.805 0.392) 10.302 1.840 ( 5.507 4.244 8.276) 10.809 1.916 ( -0.448 -3.533 4.177) 5.489 1.963 ( 2.453 -6.899 7.570) 10.532 2.116 ( 2.845 5.928 2.980) 7.219 2.209 ( -0.151 -6.640 2.084) 6.961 2.359 ( -0.906 -2.163 5.569) 6.042 2.405 ( 7.475 -5.816 4.718) 10.581 2.474 ( 7.409 -7.411 5.111) 11.659 2.607 ( -3.195 -2.428 -2.139) 4.547 2.674 ( -4.420 3.273 1.228) 5.635 2.803 ( -3.655 -1.582 0.054) 3.983 2.841 ( -8.300 -2.421 -3.247) 9.236 2.864 ( -5.862 4.292 -0.334) 7.273 2.893 ( -4.804 1.014 -1.694) 5.194 2.906 ( 3.312 -4.078 1.586) 5.488 3.072 ( 0.245 2.293 -1.529) 2.766 3.150 ( -0.446 1.814 -3.229) 3.731 3.167 ( -0.777 -2.796 -4.064) 4.994 3.208 ( -4.868 3.064 0.023) 5.752 3.298 ( -2.683 -1.995 -1.777) 3.786 3.351 ( 1.634 -4.316 -7.979) 9.218 3.418 ( 0.119 -1.363 1.418) 1.971 3.452 ( -0.404 -2.893 -2.585) 3.901 3.508 ( -1.443 -8.456 -0.343) 8.585 3.593 ( -2.267 3.778 1.542) 4.668 3.603 ( -0.122 3.198 -0.261) 3.211 3.645 ( 3.711 -0.008 1.006) 3.845 3.673 ( 2.654 -2.398 2.440) 4.330 3.761 ( -1.208 -0.439 2.971) 3.237 3.787 ( 0.925 0.930 3.895) 4.110 3.804 ( 2.926 -0.303 0.218) 2.950 3.897 ( 0.475 -2.466 2.766) 3.736 3.945 ( 3.140 2.211 4.927) 6.247 4.013 ( 0.217 8.116 0.707) 8.150 4.042 ( -1.143 0.691 1.036) 1.690 4.137 ( 0.332 2.024 0.824) 2.210 4.174 ( 1.105 -0.819 -0.054) 1.377 4.234 ( 0.626 3.269 2.166) 3.971 4.491 ( 3.750 -13.212 4.412) 14.425 4.745 ( -1.337 2.385 0.158) 2.739 4.792 ( -4.107 4.304 -6.070) 8.499 4.869 ( -8.103 2.304 -10.225) 13.248 4.905 ( -0.708 -0.265 -3.600) 3.678 4.943 ( -10.074 2.499 -6.313) 12.149 5.019 ( -4.812 1.060 -6.669) 8.292 5.049 ( -0.701 -0.243 1.826) 1.971 5.154 ( -0.705 -7.303 -3.227) 8.015 5.226 ( -5.982 -1.230 -4.185) 7.403 5.360 ( -1.919 -3.610 -5.722) 7.033 5.496 ( -9.492 -5.851 0.418) 11.158 5.555 ( -1.618 1.642 -3.189) 3.935 5.629 ( -4.311 -3.785 4.152) 7.082 5.721 ( -2.210 8.412 -4.118) 9.623 5.775 ( 4.377 1.016 0.279) 4.502 5.822 ( -0.157 -2.409 7.717) 8.086 5.901 ( -0.374 1.927 -3.292) 3.833 5.923 ( 0.901 4.519 2.794) 5.389 6.049 ( 0.107 0.738 0.297) 0.802 6.076 ( -0.821 3.590 1.434) 3.952 6.162 ( 0.800 -2.498 -4.472) 5.184 6.248 ( 1.695 -0.394 -2.182) 2.791 6.286 ( 1.537 2.748 2.291) 3.894 6.381 ( 4.055 -0.271 -7.896) 8.880 6.481 ( 1.368 -3.651 -1.020) 4.030 6.617 ( 1.117 -3.448 -0.787) 3.709 6.729 ( 0.514 7.804 3.596) 8.608 6.849 ( -2.154 -6.605 2.082) 7.253 6.875 ( -0.784 2.739 3.418) 4.450 6.993 ( 0.148 2.038 -7.569) 7.840 7.030 ( -2.708 -1.758 1.513) 3.566 7.117 ( -0.585 -2.573 5.305) 5.925 7.185 ( -1.721 -2.976 0.369) 3.458 7.215 ( -1.330 -1.312 1.416) 2.344 7.303 ( 1.765 -1.715 0.396) 2.493 7.345 ( 2.139 2.009 0.105) 2.937 7.436 ( 6.316 -4.211 0.981) 7.655 7.499 ( 5.208 -2.051 1.914) 5.916 7.528 ( 1.929 1.365 -0.978) 2.558 7.753 ( -3.339 0.567 -5.516) 6.473 7.772 ( 0.745 -0.761 3.518) 3.676 7.834 ( -1.614 2.774 -3.739) 4.928 7.944 ( 2.982 2.558 1.778) 4.312 8.015 ( 5.198 3.841 4.718) 8.002 8.157 ( -0.846 6.968 0.076) 7.019 8.229 ( -0.610 3.737 -1.465) 4.060 8.392 ( 6.649 -4.768 -1.328) 8.289 8.561 ( 2.642 -0.450 -2.173) 3.450 8.855 ( -0.546 -3.696 5.264) 6.455 8.970 ( 2.883 0.364 2.715) 3.977 9.023 ( 3.192 12.044 -17.516) 21.496 9.267 ( 1.909 0.959 -5.069) 5.500 9.308 ( -1.626 -3.351 0.496) 3.757 9.415 ( 1.330 -2.784 -4.370) 5.350 9.784 ( -4.379 -0.039 -0.199) 4.384 9.801 ( 0.584 6.676 -6.131) 9.083 9.959 ( -2.306 2.954 1.719) 4.123 10.005 ( 1.204 -3.656 5.550) 6.754 10.193 ( 1.094 -2.763 -2.370) 3.801 10.214 ( 0.795 0.942 1.502) 1.943 11.790 ( 0.488 1.530 1.403) 2.133 11.903 ( -2.246 -2.563 3.808) 5.110 11.945 ( -1.505 -0.747 1.319) 2.136 11.960 ( -1.237 -0.878 1.918) 2.446 13.673 ( 9.383 0.595 -4.918) 10.611 13.876 ( 4.935 -2.525 -0.894) 5.615 14.190 ( 0.573 0.901 0.846) 1.362 14.382 ( 0.613 -4.305 -0.759) 4.414 14.424 ( -0.120 0.828 -2.092) 2.253 14.494 ( -2.574 0.221 -3.611) 4.440 14.676 ( 0.893 -0.836 3.876) 4.065 14.694 ( 0.486 -0.157 1.952) 2.018 14.766 ( 1.817 0.056 3.654) 4.081 14.775 ( -0.605 0.521 -1.341) 1.561 14.857 ( 0.043 -3.202 3.949) 5.085 14.918 ( 1.394 -0.933 2.918) 3.366 15.011 ( 1.347 2.753 -0.459) 3.099 15.198 ( -0.220 -3.231 1.706) 3.661 15.286 ( -7.478 -0.347 1.228) 7.586 15.427 ( -4.474 -1.441 -1.470) 4.925 15.560 ( -1.504 2.463 -3.511) 4.544 15.663 ( 1.710 0.692 1.383) 2.306 15.692 ( 0.043 -0.603 -1.041) 1.204 15.820 ( 5.990 -0.126 5.790) 8.332 16.076 ( -2.206 -2.864 15.266) 15.689 16.412 ( -7.998 -2.970 -0.040) 8.531 16.661 ( 2.939 -0.830 -1.105) 3.247 16.690 ( 4.396 -0.951 -1.469) 4.731 17.068 ( -2.268 1.165 -0.226) 2.560 17.104 ( -0.701 -0.893 -0.224) 1.157 17.179 ( -0.557 2.288 1.982) 3.078 17.247 ( 2.139 3.280 -3.836) 5.482 17.309 ( 0.447 1.876 2.889) 3.473 17.431 ( -0.168 0.398 0.049) 0.435 17.585 ( 0.017 -2.429 -1.329) 2.769 17.637 ( -1.708 -1.093 2.320) 3.081 17.826 ( 0.540 -0.939 3.912) 4.059 18.024 ( -0.386 -1.560 -2.813) 3.240 18.347 ( -9.472 10.475 -10.647) 17.686 18.420 ( 1.128 2.708 -3.270) 4.393 18.634 ( -8.106 19.688 -10.143) 23.584 18.745 ( -1.769 4.977 -5.531) 7.648 19.074 ( -1.547 -2.344 1.918) 3.401 19.130 ( -3.715 0.041 -0.902) 3.823 19.364 ( 1.908 2.460 0.434) 3.143 19.477 ( 2.145 -0.161 0.784) 2.290 19.837 ( 1.026 1.411 1.286) 2.167 19.939 ( -2.703 -0.575 1.391) 3.094 19.973 ( -1.539 1.411 -1.528) 2.588 20.047 ( -1.141 -0.687 -1.845) 2.275 20.484 ( 2.305 0.320 6.437) 6.845 20.694 ( -7.460 -2.175 -1.352) 7.887 20.927 ( -2.372 -10.804 16.086) 19.522 21.028 ( -9.394 -3.654 -4.283) 10.951 21.510 ( -2.367 1.484 0.659) 2.870 21.537 ( -4.520 1.064 1.236) 4.806 21.653 ( -0.100 1.739 1.816) 2.516 21.729 ( 1.154 -2.174 0.105) 2.463 21.873 ( 0.838 4.062 -1.415) 4.383 21.921 ( 1.397 2.814 0.417) 3.169 22.112 ( 4.711 -0.883 0.025) 4.793 22.288 ( 3.727 -3.504 -1.643) 5.373 22.466 ( 7.163 -1.980 0.019) 7.432 22.595 ( 15.715 -7.840 -6.437) 18.704 ======================= Grid point 11 (8/78) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 17.826 8.708 12.408) 23.400 1.223 ( 11.324 17.250 13.123) 24.454 1.458 ( 11.368 -0.279 -5.524) 12.642 1.814 ( 6.244 11.675 8.433) 15.697 1.820 ( 9.408 -4.903 13.143) 16.890 1.999 ( 1.089 2.717 6.622) 7.240 2.027 ( 7.213 3.690 -0.577) 8.122 2.136 ( 6.362 4.358 0.277) 7.716 2.200 ( -1.450 -4.289 4.981) 6.731 2.233 ( -3.653 -5.066 13.361) 14.748 2.353 ( -6.348 3.150 1.356) 7.215 2.491 ( -4.735 0.910 4.894) 6.870 2.531 ( -2.234 -3.433 -0.355) 4.111 2.570 ( 3.301 0.908 -7.571) 8.309 2.637 ( -3.812 0.533 -5.539) 6.745 2.700 ( -5.602 -0.389 3.869) 6.819 2.726 ( 0.939 -1.868 -0.214) 2.101 2.777 ( -4.741 4.884 3.718) 7.756 2.872 ( 1.729 -1.408 7.290) 7.624 2.975 ( -1.844 -7.155 2.157) 7.697 3.031 ( 0.026 3.986 -3.945) 5.608 3.093 ( -2.850 -0.464 1.602) 3.303 3.152 ( -0.962 -7.294 -0.824) 7.404 3.250 ( 1.809 -0.913 0.463) 2.079 3.261 ( 2.111 3.829 3.130) 5.377 3.308 ( 0.851 0.394 1.767) 2.001 3.372 ( 0.322 -1.049 -5.180) 5.295 3.441 ( 2.281 4.074 0.291) 4.678 3.466 ( -3.179 -10.660 -1.045) 11.173 3.572 ( -4.215 -0.559 0.185) 4.256 3.615 ( -1.092 -0.264 -1.505) 1.878 3.662 ( -0.510 3.606 3.996) 5.407 3.677 ( 0.321 -2.298 -4.736) 5.273 3.795 ( 2.588 2.003 -0.010) 3.273 3.816 ( 0.740 -0.857 -0.075) 1.134 3.881 ( -0.603 1.893 5.171) 5.540 3.914 ( -1.468 1.090 7.265) 7.491 4.033 ( 4.340 2.463 -1.404) 5.184 4.067 ( -1.409 6.595 0.972) 6.814 4.098 ( 0.931 -2.405 6.396) 6.896 4.126 ( 0.654 1.967 1.479) 2.546 4.184 ( 1.250 1.710 -1.373) 2.525 4.288 ( -0.822 0.757 3.587) 3.757 4.541 ( 0.624 -0.044 -7.954) 7.979 4.604 ( -0.949 0.921 -7.167) 7.288 4.648 ( -5.336 -1.437 -4.359) 7.038 4.693 ( -2.442 -5.379 1.994) 6.235 4.817 ( -1.223 -1.080 -6.597) 6.796 4.841 ( 0.049 -1.424 -2.493) 2.872 4.960 ( -0.334 -1.304 -2.187) 2.568 4.994 ( -7.964 -2.058 -2.867) 8.711 5.051 ( -3.715 -2.531 -3.245) 5.544 5.175 ( -0.377 1.229 5.805) 5.946 5.211 ( -3.124 -3.465 -2.792) 5.437 5.356 ( -11.304 -1.161 0.001) 11.364 5.526 ( -2.222 2.126 0.670) 3.147 5.587 ( -3.494 1.358 2.668) 4.601 5.664 ( -0.955 -4.416 -0.741) 4.579 5.770 ( 2.337 -3.829 -5.869) 7.387 5.825 ( -0.484 3.129 -5.288) 6.163 5.918 ( -0.396 2.961 2.608) 3.965 5.958 ( -2.685 -2.426 2.230) 4.251 6.040 ( -0.866 -1.411 1.425) 2.184 6.084 ( -1.279 2.990 -5.573) 6.453 6.114 ( 1.059 -0.515 1.504) 1.910 6.195 ( -0.004 0.282 -6.958) 6.964 6.248 ( 0.653 0.073 -8.535) 8.560 6.394 ( 2.672 1.358 1.865) 3.530 6.484 ( 5.345 -2.244 -7.732) 9.664 6.590 ( -1.310 4.337 -0.392) 4.547 6.784 ( -5.269 -1.595 2.178) 5.920 6.872 ( 1.444 -4.429 5.202) 6.983 6.908 ( 1.579 5.392 -7.259) 9.179 6.942 ( -2.318 -1.886 7.234) 7.827 7.015 ( -1.756 -0.087 1.864) 2.563 7.104 ( -1.594 0.961 -3.210) 3.710 7.166 ( -2.981 -5.251 1.159) 6.149 7.202 ( -0.802 -4.528 1.952) 4.995 7.313 ( 0.790 -4.067 1.601) 4.441 7.447 ( 5.239 4.079 -0.629) 6.669 7.518 ( 1.109 -0.452 -1.067) 1.604 7.575 ( 0.692 3.392 -1.482) 3.766 7.587 ( 3.742 0.539 -4.580) 5.938 7.614 ( 3.071 5.528 0.466) 6.341 7.768 ( 2.029 -0.517 -2.032) 2.918 7.845 ( 0.778 -2.990 3.316) 4.532 8.024 ( 2.743 6.020 2.401) 7.038 8.122 ( -2.185 3.006 1.042) 3.859 8.158 ( 3.138 3.089 2.728) 5.180 8.198 ( 1.184 5.478 -2.900) 6.310 8.427 ( 1.446 -8.017 -0.339) 8.154 8.592 ( 3.288 -2.828 -2.422) 4.968 8.871 ( 2.191 3.103 0.577) 3.842 8.991 ( 1.146 1.474 0.787) 2.026 9.077 ( 6.267 2.268 -0.992) 6.738 9.201 ( 5.412 -2.805 -11.008) 12.583 9.397 ( 8.183 -2.312 6.440) 10.666 9.424 ( -0.318 -4.298 3.529) 5.571 9.669 ( -2.410 7.773 -4.605) 9.351 9.760 ( -2.351 3.974 0.250) 4.624 9.965 ( -1.590 2.435 2.969) 4.156 10.068 ( -0.211 -4.341 0.943) 4.447 10.180 ( 1.698 -2.726 -2.175) 3.879 10.256 ( 0.294 0.122 2.492) 2.512 11.817 ( 0.027 1.187 1.657) 2.038 11.883 ( -2.534 -0.405 -0.125) 2.569 11.932 ( -2.953 -0.652 1.623) 3.432 11.963 ( -1.068 -1.053 1.287) 1.977 13.739 ( 6.464 2.000 -2.992) 7.398 13.953 ( 7.235 -2.550 -2.002) 7.928 14.230 ( 1.671 -0.767 2.053) 2.756 14.359 ( -0.622 -3.833 -2.848) 4.815 14.384 ( -1.749 1.166 -2.326) 3.135 14.443 ( 1.223 0.217 -0.565) 1.364 14.695 ( -1.036 0.403 1.374) 1.767 14.710 ( -1.374 0.577 1.563) 2.159 14.755 ( -1.173 2.363 0.972) 2.812 14.869 ( -0.999 -4.110 -0.329) 4.242 14.880 ( 3.381 -2.862 4.022) 5.983 14.961 ( -0.828 0.028 1.128) 1.399 15.063 ( 2.650 4.044 2.824) 5.599 15.148 ( -5.559 1.401 -2.422) 6.224 15.225 ( -0.966 -1.603 0.986) 2.115 15.324 ( -6.631 -2.613 -0.331) 7.134 15.484 ( -1.447 2.065 -2.590) 3.615 15.681 ( 0.977 -3.152 -1.386) 3.579 15.739 ( 2.793 1.586 3.239) 4.561 15.969 ( 4.929 -3.319 2.779) 6.560 16.216 ( -3.498 -0.162 12.415) 12.900 16.288 ( -8.196 2.276 1.241) 8.596 16.664 ( 1.808 0.586 -3.704) 4.163 16.738 ( 3.924 -2.222 -2.107) 4.978 17.028 ( -0.959 1.193 -1.115) 1.893 17.102 ( -0.153 -2.848 0.832) 2.971 17.203 ( 0.127 2.786 -0.604) 2.853 17.226 ( 0.400 2.020 0.809) 2.213 17.355 ( -0.182 2.695 2.861) 3.934 17.420 ( 0.021 -0.272 -1.134) 1.166 17.567 ( -2.036 -0.510 1.036) 2.341 17.630 ( -0.847 2.221 -1.074) 2.608 17.896 ( -3.290 5.121 2.207) 6.475 17.931 ( -0.140 2.074 1.924) 2.833 18.188 ( 3.868 -1.869 -5.675) 7.117 18.388 ( -0.125 -0.402 -5.133) 5.150 18.617 ( 2.696 4.398 -0.807) 5.221 18.644 ( 0.655 5.158 -3.576) 6.310 19.071 ( -4.066 -1.539 1.445) 4.581 19.101 ( -1.611 -1.552 4.304) 4.851 19.403 ( 2.991 1.475 0.227) 3.343 19.494 ( 1.162 -0.852 -0.939) 1.720 19.874 ( -3.545 1.310 -0.951) 3.897 19.906 ( 1.486 0.786 2.405) 2.934 19.967 ( 1.487 0.913 -0.374) 1.784 20.021 ( 0.785 -0.356 -0.919) 1.260 20.493 ( -9.740 0.226 -5.537) 11.206 20.583 ( -2.376 -0.858 4.804) 5.427 20.772 ( -9.829 -0.865 -6.424) 11.774 21.032 ( -4.222 -7.995 8.235) 12.229 21.458 ( -3.715 2.320 0.074) 4.380 21.514 ( -3.423 0.163 2.883) 4.478 21.680 ( 1.552 0.086 0.383) 1.601 21.734 ( 0.492 -1.348 -1.949) 2.420 21.881 ( 2.262 2.654 -0.800) 3.577 21.951 ( 1.555 2.180 0.152) 2.683 22.203 ( 5.965 -0.135 0.357) 5.977 22.317 ( 2.399 -0.471 -0.934) 2.617 22.589 ( 7.892 -2.717 0.735) 8.379 22.684 ( 7.178 -4.474 -4.959) 9.805 ======================= Grid point 12 (9/78) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 4.588 15.393 -0.773) 16.080 1.523 ( 9.979 2.341 2.393) 10.526 1.617 ( 13.369 4.470 3.002) 14.412 1.956 ( -0.178 0.320 -1.270) 1.322 2.011 ( -3.541 2.050 3.056) 5.107 2.034 ( -1.615 2.578 -3.556) 4.679 2.120 ( 3.463 0.644 7.119) 7.943 2.158 ( 3.431 5.465 8.556) 10.716 2.205 ( -3.959 -8.188 4.878) 10.321 2.251 ( -2.532 1.608 3.050) 4.278 2.376 ( 0.173 -3.054 -7.606) 8.198 2.433 ( -1.157 0.206 -4.452) 4.604 2.506 ( 1.336 -3.254 1.396) 3.784 2.538 ( -1.791 7.353 2.494) 7.968 2.570 ( 1.470 -2.018 3.115) 3.992 2.695 ( -2.333 1.823 3.131) 4.309 2.750 ( -4.917 7.339 3.651) 9.559 2.814 ( -0.146 0.315 5.113) 5.125 2.980 ( 1.566 -4.014 0.826) 4.387 3.013 ( -0.811 -1.817 3.380) 3.922 3.063 ( 5.129 -2.003 2.807) 6.181 3.094 ( -2.098 -4.536 1.808) 5.315 3.148 ( 1.699 2.619 -2.800) 4.193 3.172 ( -0.596 1.813 -0.374) 1.945 3.248 ( -6.212 2.221 1.346) 6.733 3.310 ( 1.342 0.762 -3.115) 3.476 3.388 ( 0.054 -7.184 1.030) 7.257 3.429 ( 0.958 -2.412 -0.550) 2.653 3.514 ( -4.722 2.533 -1.634) 5.602 3.532 ( -1.302 0.823 -0.446) 1.604 3.618 ( 4.547 0.615 8.231) 9.423 3.654 ( -0.498 2.854 1.767) 3.394 3.703 ( -0.244 -2.757 -0.010) 2.768 3.772 ( 0.059 0.992 -0.408) 1.074 3.877 ( 1.227 0.009 0.510) 1.329 3.912 ( 0.066 1.324 -0.055) 1.327 3.964 ( 0.971 4.272 1.860) 4.759 4.016 ( 0.528 4.727 0.972) 4.855 4.117 ( -0.741 0.083 3.551) 3.629 4.139 ( 2.035 -0.831 -1.129) 2.471 4.170 ( 3.539 2.929 -3.587) 5.828 4.227 ( 3.941 2.319 0.833) 4.648 4.246 ( -3.620 -0.788 0.980) 3.832 4.467 ( 1.303 0.384 -6.242) 6.389 4.536 ( -1.174 1.267 -2.872) 3.351 4.614 ( -1.415 -1.353 7.619) 7.867 4.651 ( -9.634 -3.369 -1.276) 10.286 4.707 ( -3.704 -3.116 -6.804) 8.350 4.802 ( 5.971 -10.064 3.797) 12.302 4.937 ( -0.953 0.135 0.408) 1.045 4.944 ( 1.152 -4.686 0.685) 4.874 5.000 ( 0.196 -1.041 -0.432) 1.144 5.162 ( -2.410 0.461 0.407) 2.488 5.204 ( -2.233 2.703 -3.137) 4.704 5.249 ( -1.997 -4.757 5.099) 7.254 5.481 ( -3.285 -1.978 -1.937) 4.296 5.572 ( -4.823 -9.307 -0.799) 10.513 5.639 ( 1.419 1.215 -5.219) 5.543 5.708 ( 2.076 3.533 1.514) 4.369 5.816 ( 2.002 2.882 -1.171) 3.699 5.859 ( -4.616 -0.831 -4.447) 6.463 5.920 ( -5.149 -4.403 -8.138) 10.589 5.980 ( -0.676 -1.317 1.605) 2.184 6.033 ( -2.318 3.122 -2.421) 4.581 6.075 ( -0.048 3.196 2.538) 4.081 6.168 ( 1.451 1.203 -3.765) 4.211 6.242 ( 5.437 2.970 -0.105) 6.196 6.324 ( -1.618 2.217 -6.313) 6.883 6.503 ( 0.844 0.361 0.904) 1.289 6.597 ( 1.376 -2.884 -1.400) 3.488 6.742 ( -2.303 -4.457 -2.382) 5.554 6.771 ( -2.999 0.973 -5.168) 6.054 6.933 ( -2.592 2.326 0.850) 3.585 6.964 ( -3.192 1.278 7.630) 8.369 7.003 ( -2.052 0.354 1.082) 2.347 7.092 ( 0.777 5.230 -2.480) 5.840 7.126 ( -0.924 -4.890 0.253) 4.983 7.253 ( 2.200 -4.775 1.763) 5.545 7.331 ( 0.513 -4.107 -1.087) 4.279 7.438 ( -0.813 0.941 0.464) 1.328 7.468 ( -1.522 4.860 -3.396) 6.121 7.530 ( 2.102 -0.472 -2.930) 3.636 7.653 ( 3.167 1.635 -0.963) 3.692 7.663 ( 2.519 -1.738 -1.767) 3.534 7.834 ( 4.416 0.291 1.636) 4.718 7.902 ( 0.264 0.930 3.285) 3.424 8.047 ( -2.246 9.703 1.227) 10.035 8.118 ( -0.636 6.466 -0.795) 6.545 8.160 ( 2.408 -0.347 -1.015) 2.636 8.259 ( 2.477 0.331 2.241) 3.356 8.458 ( 1.319 -8.244 1.548) 8.491 8.574 ( -0.199 -6.133 -3.202) 6.921 8.935 ( -1.458 1.473 0.345) 2.102 8.990 ( 4.161 1.377 1.994) 4.815 9.114 ( 0.907 -2.353 -1.746) 3.067 9.253 ( 11.489 -2.874 -5.369) 13.003 9.455 ( -1.158 -1.170 2.363) 2.879 9.595 ( 4.135 5.249 3.452) 7.521 9.649 ( -0.531 6.651 4.258) 7.914 9.760 ( 2.303 2.110 3.562) 4.738 9.979 ( -0.366 1.769 0.461) 1.864 10.033 ( -0.028 -2.582 -3.862) 4.646 10.177 ( -1.687 -2.854 0.689) 3.386 10.275 ( -0.111 -1.792 0.067) 1.796 11.829 ( -0.738 0.617 0.635) 1.152 11.841 ( -1.696 0.627 -0.405) 1.853 11.905 ( -2.034 -0.196 0.538) 2.113 11.962 ( -0.674 -1.108 0.603) 1.430 13.792 ( 3.622 2.520 -0.906) 4.505 14.047 ( 7.656 -3.102 -0.975) 8.318 14.231 ( -2.431 -2.501 -1.454) 3.778 14.293 ( -2.563 -3.417 -2.407) 4.903 14.397 ( 3.615 2.576 1.295) 4.625 14.479 ( 2.511 1.009 0.823) 2.829 14.689 ( -1.620 -0.329 0.675) 1.785 14.711 ( -0.753 -0.078 1.376) 1.571 14.750 ( -1.597 0.967 0.701) 1.994 14.834 ( -1.462 0.713 -1.388) 2.138 14.909 ( -0.858 -1.420 -0.310) 1.688 14.979 ( -1.817 0.349 1.491) 2.376 15.029 ( -2.897 0.859 -1.633) 3.435 15.115 ( 0.455 -0.802 -0.049) 0.923 15.232 ( -1.220 -1.343 1.319) 2.243 15.244 ( -2.123 -2.086 -0.007) 2.976 15.481 ( 1.797 1.096 0.874) 2.279 15.679 ( 1.301 -3.390 -1.171) 3.815 15.824 ( 2.185 1.038 2.961) 3.823 16.033 ( 1.014 -3.824 0.220) 3.963 16.173 ( -5.460 7.589 -0.197) 9.351 16.355 ( -1.140 1.977 11.807) 12.026 16.609 ( 0.494 1.330 -7.125) 7.265 16.753 ( 1.807 -2.174 -1.800) 3.352 17.018 ( 0.469 0.938 -0.144) 1.059 17.113 ( -0.357 -2.390 0.854) 2.562 17.183 ( 0.829 1.053 -1.603) 2.089 17.271 ( -0.325 2.038 3.964) 4.469 17.352 ( -0.444 -0.088 -2.155) 2.202 17.426 ( 0.206 2.789 1.556) 3.200 17.550 ( -4.547 2.077 3.844) 6.305 17.582 ( 1.395 5.503 -5.508) 7.910 17.871 ( -0.067 2.291 1.548) 2.766 18.030 ( -0.461 -5.500 7.723) 9.493 18.190 ( 4.887 -4.354 -5.803) 8.747 18.282 ( -2.265 -2.908 -5.579) 6.686 18.600 ( 1.224 5.384 -1.367) 5.688 18.729 ( 6.992 3.453 0.984) 7.860 18.992 ( -8.008 -0.040 0.956) 8.065 19.152 ( -0.626 -1.795 4.611) 4.988 19.472 ( 4.929 0.461 0.587) 4.985 19.529 ( 4.720 -1.206 0.492) 4.896 19.791 ( -3.856 2.167 -2.025) 4.865 19.905 ( -3.537 -1.018 -1.026) 3.821 19.998 ( 2.900 0.591 0.216) 2.967 20.075 ( 4.188 0.089 1.936) 4.614 20.278 ( -8.510 -0.174 -4.586) 9.669 20.400 ( -11.792 -2.857 -6.453) 13.743 20.727 ( 0.674 2.707 2.809) 3.959 21.057 ( -2.124 -6.113 3.241) 7.237 21.409 ( -2.483 2.815 -0.043) 3.754 21.502 ( -2.316 -0.085 2.052) 3.095 21.698 ( 0.672 -0.598 -1.563) 1.804 21.713 ( 0.585 -0.727 -0.591) 1.105 21.908 ( 1.861 1.825 -0.427) 2.641 21.971 ( 0.804 1.313 0.107) 1.543 22.286 ( 3.980 0.659 0.163) 4.037 22.334 ( 0.967 1.361 -0.452) 1.730 22.687 ( 3.849 -3.558 -1.888) 5.571 22.732 ( 4.267 -2.713 0.763) 5.114 ======================= Grid point 13 (10/78) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 12.649 0.000) 12.649 1.699 ( -0.001 5.750 -0.000) 5.750 1.700 ( 0.001 0.335 0.000) 0.335 1.794 ( 0.000 4.987 0.000) 4.987 1.969 ( -0.000 1.415 0.000) 1.415 2.118 ( 0.000 -2.252 0.000) 2.252 2.172 ( 0.000 4.043 -0.000) 4.043 2.178 ( 0.000 -5.393 0.000) 5.393 2.289 ( 0.000 4.210 0.000) 4.210 2.323 ( 0.000 -4.449 0.000) 4.449 2.348 ( 0.000 4.029 -0.000) 4.029 2.389 ( 0.000 -6.164 0.000) 6.164 2.423 ( -0.000 8.905 -0.000) 8.905 2.586 ( 0.000 4.623 0.000) 4.623 2.628 ( 0.000 -2.620 0.000) 2.620 2.648 ( 0.000 2.989 0.000) 2.989 2.798 ( 0.000 -3.759 0.000) 3.759 2.844 ( 0.000 4.578 0.000) 4.578 2.950 ( 0.000 1.047 0.000) 1.047 2.983 ( 0.000 -2.546 0.000) 2.546 3.063 ( 0.000 0.992 0.000) 0.992 3.102 ( 0.000 0.787 0.000) 0.787 3.141 ( 0.000 -9.303 0.000) 9.303 3.255 ( 0.000 1.375 -0.000) 1.375 3.264 ( -0.000 0.147 0.000) 0.147 3.357 ( 0.000 1.215 0.000) 1.215 3.365 ( -0.000 2.889 -0.000) 2.889 3.410 ( 0.000 -1.668 -0.000) 1.668 3.427 ( -0.000 -2.312 0.000) 2.312 3.529 ( 0.000 -2.790 0.000) 2.790 3.597 ( 0.000 6.156 0.000) 6.156 3.692 ( 0.000 -3.251 0.000) 3.251 3.736 ( 0.000 1.582 0.000) 1.582 3.801 ( 0.000 1.614 -0.000) 1.614 3.886 ( 0.000 3.875 0.000) 3.875 3.927 ( 0.000 -2.292 0.000) 2.292 3.983 ( 0.000 -0.325 0.000) 0.325 4.030 ( 0.000 1.858 0.000) 1.858 4.081 ( 0.000 -0.329 0.000) 0.329 4.145 ( -0.000 1.612 -0.000) 1.612 4.197 ( 0.000 0.775 0.000) 0.775 4.240 ( 0.000 -3.089 0.000) 3.089 4.306 ( 0.000 7.971 0.000) 7.971 4.428 ( 0.000 2.100 0.000) 2.100 4.515 ( 0.000 3.165 0.000) 3.165 4.545 ( 0.000 2.632 0.000) 2.632 4.596 ( 0.000 -10.467 0.000) 10.467 4.661 ( 0.000 -4.763 0.000) 4.763 4.909 ( 0.000 -6.196 0.000) 6.196 4.924 ( 0.000 -0.633 0.000) 0.633 4.964 ( 0.000 -4.678 0.000) 4.678 5.108 ( 0.000 5.262 0.000) 5.262 5.110 ( -0.000 -2.451 -0.000) 2.451 5.189 ( 0.000 1.046 0.000) 1.046 5.247 ( 0.000 -11.182 0.000) 11.182 5.405 ( -0.000 -10.039 -0.000) 10.039 5.503 ( 0.000 -2.696 0.000) 2.696 5.604 ( 0.000 -2.379 0.000) 2.379 5.677 ( 0.000 4.459 0.000) 4.459 5.809 ( 0.000 7.377 0.000) 7.377 5.844 ( 0.000 -4.219 0.000) 4.219 5.893 ( -0.000 -0.018 -0.000) 0.018 5.897 ( 0.000 7.234 0.000) 7.234 5.990 ( 0.000 2.968 0.000) 2.968 6.102 ( 0.000 2.636 0.000) 2.636 6.203 ( 0.000 -5.431 0.000) 5.431 6.238 ( 0.000 5.450 -0.000) 5.450 6.314 ( -0.000 -1.597 0.000) 1.597 6.526 ( 0.000 -1.792 0.000) 1.792 6.566 ( 0.000 -4.351 0.000) 4.351 6.653 ( -0.000 0.968 0.000) 0.968 6.753 ( 0.000 0.451 0.000) 0.451 6.906 ( 0.000 0.666 0.000) 0.666 6.991 ( 0.000 0.775 0.000) 0.775 7.027 ( -0.000 4.399 0.000) 4.399 7.029 ( 0.000 7.708 -0.000) 7.708 7.139 ( 0.000 -4.586 0.000) 4.586 7.282 ( 0.000 -4.676 0.000) 4.676 7.323 ( 0.000 -3.923 0.000) 3.923 7.417 ( 0.000 4.872 0.000) 4.872 7.495 ( 0.000 -7.051 -0.000) 7.051 7.497 ( 0.000 2.017 0.000) 2.017 7.655 ( 0.000 -2.924 0.000) 2.924 7.675 ( 0.000 -0.211 0.000) 0.211 7.887 ( -0.000 2.485 0.000) 2.485 7.928 ( 0.000 2.979 0.000) 2.979 8.034 ( 0.000 10.290 0.000) 10.290 8.094 ( 0.000 7.301 0.000) 7.301 8.187 ( 0.000 -1.377 0.000) 1.377 8.296 ( 0.000 -1.088 0.000) 1.088 8.493 ( 0.000 -7.174 0.000) 7.174 8.533 ( 0.000 -8.265 0.000) 8.265 8.913 ( 0.000 3.692 0.000) 3.692 9.065 ( 0.000 -0.905 0.000) 0.905 9.105 ( 0.000 -2.809 0.000) 2.809 9.301 ( 0.000 -9.644 0.000) 9.644 9.464 ( 0.000 7.084 0.000) 7.084 9.646 ( 0.000 7.065 0.000) 7.065 9.664 ( 0.000 9.151 0.000) 9.151 9.891 ( 0.000 -3.644 -0.000) 3.644 9.921 ( 0.000 -1.362 0.000) 1.362 10.018 ( 0.000 3.930 0.000) 3.930 10.159 ( -0.000 -3.851 0.000) 3.851 10.269 ( 0.000 -2.835 0.000) 2.835 11.817 ( 0.000 0.569 0.000) 0.569 11.832 ( 0.000 0.654 0.000) 0.654 11.892 ( 0.000 -0.016 0.000) 0.016 11.960 ( 0.000 -1.082 0.000) 1.082 13.816 ( 0.000 2.574 0.000) 2.574 14.148 ( 0.000 -6.711 0.000) 6.711 14.164 ( -0.000 -0.004 0.000) 0.004 14.241 ( 0.000 -2.051 0.000) 2.051 14.447 ( -0.000 2.290 0.000) 2.290 14.514 ( 0.000 2.713 0.000) 2.713 14.673 ( 0.000 -3.196 0.000) 3.196 14.726 ( -0.000 -2.709 0.000) 2.709 14.731 ( 0.000 2.617 0.000) 2.617 14.803 ( 0.000 3.174 0.000) 3.174 14.903 ( 0.000 -1.947 0.000) 1.947 14.958 ( 0.000 2.444 0.000) 2.444 14.993 ( 0.000 0.409 -0.000) 0.409 15.123 ( 0.000 -4.393 0.000) 4.393 15.221 ( 0.000 -1.273 0.000) 1.273 15.241 ( 0.000 -0.474 0.000) 0.474 15.509 ( 0.000 -0.016 -0.000) 0.016 15.686 ( 0.000 -3.718 0.000) 3.718 15.864 ( 0.000 0.731 0.000) 0.731 16.034 ( 0.000 -2.930 0.000) 2.930 16.125 ( 0.000 10.267 0.000) 10.267 16.492 ( 0.000 4.701 0.000) 4.701 16.500 ( 0.000 -1.304 -0.000) 1.304 16.754 ( 0.000 -2.139 0.000) 2.139 17.024 ( 0.000 0.986 0.000) 0.986 17.113 ( 0.000 -0.947 0.000) 0.947 17.184 ( 0.000 -0.386 0.000) 0.386 17.312 ( -0.000 -2.498 0.000) 2.498 17.313 ( 0.000 3.708 -0.000) 3.708 17.443 ( 0.000 2.249 0.000) 2.249 17.531 ( 0.000 6.616 -0.000) 6.616 17.558 ( -0.000 3.765 0.000) 3.765 17.893 ( 0.000 -0.605 0.000) 0.605 18.084 ( 0.000 -8.035 0.000) 8.035 18.177 ( 0.000 -3.331 0.000) 3.331 18.227 ( 0.000 -3.039 0.000) 3.039 18.604 ( 0.000 5.568 0.000) 5.568 18.851 ( 0.000 6.458 0.000) 6.458 18.874 ( -0.000 -2.285 0.000) 2.285 19.181 ( 0.000 -2.009 0.000) 2.009 19.531 ( 0.000 0.753 0.000) 0.753 19.610 ( -0.000 -1.336 0.000) 1.336 19.732 ( 0.000 1.200 0.000) 1.200 19.830 ( 0.000 -1.334 0.000) 1.334 20.045 ( 0.000 -0.344 0.000) 0.344 20.138 ( 0.000 -1.753 0.000) 1.753 20.186 ( -0.000 0.880 0.000) 0.880 20.206 ( 0.000 -0.571 0.000) 0.571 20.756 ( 0.000 2.353 0.000) 2.353 21.061 ( 0.000 -5.640 0.000) 5.640 21.388 ( 0.000 3.188 0.000) 3.188 21.498 ( 0.000 -0.186 0.000) 0.186 21.686 ( 0.000 -0.039 0.000) 0.039 21.719 ( 0.000 -1.423 0.000) 1.423 21.920 ( 0.000 1.679 0.000) 1.679 21.978 ( 0.000 1.018 0.000) 1.018 22.324 ( 0.000 1.305 0.000) 1.305 22.333 ( -0.000 1.688 0.000) 1.688 22.697 ( 0.000 -2.541 0.000) 2.541 22.780 ( 0.000 -3.697 0.000) 3.697 ======================= Grid point 18 (11/78) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 19.374 0.000) 19.374 1.072 ( 0.000 27.301 0.000) 27.301 1.154 ( 0.000 -12.566 0.000) 12.566 1.546 ( 0.000 -22.319 0.000) 22.319 1.672 ( 0.000 6.842 0.000) 6.842 1.771 ( 0.000 -4.589 0.000) 4.589 1.851 ( 0.000 7.388 0.000) 7.388 1.997 ( 0.000 -4.665 0.000) 4.665 2.141 ( 0.000 2.701 0.000) 2.701 2.149 ( 0.000 -1.134 0.000) 1.134 2.198 ( 0.000 35.854 0.000) 35.854 2.371 ( 0.000 5.879 0.000) 5.879 2.371 ( 0.000 0.178 0.000) 0.178 2.692 ( 0.000 9.292 0.000) 9.292 2.760 ( 0.000 -7.420 0.000) 7.420 2.764 ( 0.000 -2.500 0.000) 2.500 2.777 ( 0.000 -5.611 0.000) 5.611 2.922 ( 0.000 -2.416 0.000) 2.416 2.948 ( 0.000 0.488 0.000) 0.488 3.050 ( 0.000 -14.790 0.000) 14.790 3.060 ( 0.000 7.636 0.000) 7.636 3.133 ( 0.000 1.366 0.000) 1.366 3.182 ( 0.000 -0.009 0.000) 0.009 3.248 ( 0.000 -15.426 0.000) 15.426 3.256 ( 0.000 -1.895 0.000) 1.895 3.262 ( 0.000 -1.514 0.000) 1.514 3.394 ( 0.000 -0.237 0.000) 0.237 3.415 ( 0.000 -3.637 0.000) 3.637 3.507 ( 0.000 2.811 0.000) 2.811 3.544 ( 0.000 -2.865 0.000) 2.865 3.593 ( 0.000 4.811 0.000) 4.811 3.638 ( 0.000 0.084 0.000) 0.084 3.647 ( 0.000 1.778 0.000) 1.778 3.674 ( 0.000 -1.782 0.000) 1.782 3.756 ( 0.000 -2.551 0.000) 2.551 3.760 ( 0.000 -3.311 0.000) 3.311 3.841 ( 0.000 2.178 0.000) 2.178 3.908 ( 0.000 -3.511 0.000) 3.511 4.081 ( 0.000 4.705 0.000) 4.705 4.083 ( 0.000 2.205 0.000) 2.205 4.183 ( 0.000 2.861 0.000) 2.861 4.208 ( 0.000 2.097 0.000) 2.097 4.300 ( 0.000 0.961 0.000) 0.961 4.300 ( 0.000 1.799 0.000) 1.799 4.762 ( 0.000 1.350 0.000) 1.350 4.847 ( 0.000 -8.042 0.000) 8.042 4.944 ( 0.000 5.765 0.000) 5.765 5.048 ( 0.000 -1.108 0.000) 1.108 5.073 ( 0.000 8.486 0.000) 8.486 5.123 ( 0.000 -1.621 0.000) 1.621 5.183 ( 0.000 -3.704 0.000) 3.704 5.193 ( 0.000 1.491 0.000) 1.491 5.212 ( 0.000 -6.558 0.000) 6.558 5.228 ( 0.000 -0.390 0.000) 0.390 5.351 ( 0.000 -6.383 0.000) 6.383 5.422 ( 0.000 -10.578 0.000) 10.578 5.737 ( 0.000 1.748 0.000) 1.748 5.753 ( 0.000 -1.009 0.000) 1.009 5.844 ( 0.000 3.504 0.000) 3.504 5.859 ( 0.000 3.363 0.000) 3.363 5.934 ( 0.000 1.539 0.000) 1.539 5.971 ( 0.000 -0.679 0.000) 0.679 6.023 ( 0.000 3.550 0.000) 3.550 6.105 ( 0.000 -5.169 0.000) 5.169 6.237 ( 0.000 9.013 0.000) 9.013 6.303 ( 0.000 6.112 0.000) 6.112 6.361 ( 0.000 -3.274 0.000) 3.274 6.403 ( 0.000 3.678 0.000) 3.678 6.461 ( 0.000 -7.659 0.000) 7.659 6.464 ( 0.000 2.067 0.000) 2.067 6.767 ( 0.000 -4.696 0.000) 4.696 6.776 ( 0.000 -1.863 0.000) 1.863 6.888 ( 0.000 4.600 0.000) 4.600 7.002 ( 0.000 -5.673 0.000) 5.673 7.051 ( 0.000 4.780 0.000) 4.780 7.114 ( 0.000 -1.860 0.000) 1.860 7.170 ( 0.000 0.161 0.000) 0.161 7.196 ( 0.000 -0.596 0.000) 0.596 7.225 ( 0.000 -2.059 0.000) 2.059 7.266 ( 0.000 -4.897 0.000) 4.897 7.372 ( 0.000 4.207 0.000) 4.207 7.409 ( 0.000 -0.910 0.000) 0.910 7.520 ( 0.000 1.568 0.000) 1.568 7.612 ( 0.000 -5.520 0.000) 5.520 7.862 ( 0.000 1.521 0.000) 1.521 7.898 ( 0.000 -2.298 0.000) 2.298 7.974 ( 0.000 4.853 0.000) 4.853 8.015 ( 0.000 1.668 0.000) 1.668 8.276 ( 0.000 3.177 0.000) 3.177 8.313 ( 0.000 2.033 0.000) 2.033 8.376 ( 0.000 7.714 0.000) 7.714 8.517 ( 0.000 -5.114 0.000) 5.114 8.777 ( 0.000 -0.577 0.000) 0.577 8.812 ( 0.000 -4.038 0.000) 4.038 9.284 ( 0.000 1.033 0.000) 1.033 9.299 ( 0.000 -0.531 0.000) 0.531 9.369 ( 0.000 0.487 0.000) 0.487 9.392 ( 0.000 -2.041 0.000) 2.041 9.820 ( 0.000 0.259 0.000) 0.259 9.823 ( 0.000 0.555 0.000) 0.555 10.005 ( 0.000 4.197 0.000) 4.197 10.068 ( 0.000 4.986 0.000) 4.986 10.103 ( 0.000 -5.769 0.000) 5.769 10.161 ( 0.000 -4.452 0.000) 4.452 11.815 ( 0.000 2.146 0.000) 2.146 11.847 ( 0.000 -0.943 0.000) 0.943 11.938 ( 0.000 -0.285 0.000) 0.285 11.942 ( 0.000 -0.459 0.000) 0.459 13.675 ( 0.000 4.887 0.000) 4.887 13.768 ( 0.000 -4.727 0.000) 4.727 14.219 ( 0.000 2.926 0.000) 2.926 14.291 ( 0.000 -4.636 0.000) 4.636 14.484 ( 0.000 2.474 0.000) 2.474 14.531 ( 0.000 -2.171 0.000) 2.171 14.661 ( 0.000 4.114 0.000) 4.114 14.699 ( 0.000 1.363 0.000) 1.363 14.720 ( 0.000 -0.524 0.000) 0.524 14.736 ( 0.000 -3.654 0.000) 3.654 14.823 ( 0.000 1.826 0.000) 1.826 14.864 ( 0.000 -2.371 0.000) 2.371 15.030 ( 0.000 2.322 0.000) 2.322 15.094 ( 0.000 -4.509 0.000) 4.509 15.368 ( 0.000 3.630 0.000) 3.630 15.434 ( 0.000 -3.032 0.000) 3.032 15.645 ( 0.000 0.009 0.000) 0.009 15.646 ( 0.000 0.043 0.000) 0.043 15.721 ( 0.000 1.424 0.000) 1.424 15.728 ( 0.000 0.096 0.000) 0.096 16.096 ( 0.000 10.813 0.000) 10.813 16.310 ( 0.000 -11.307 0.000) 11.307 16.639 ( 0.000 1.291 0.000) 1.291 16.661 ( 0.000 -0.954 0.000) 0.954 17.107 ( 0.000 1.194 0.000) 1.194 17.121 ( 0.000 -0.262 0.000) 0.262 17.230 ( 0.000 3.654 0.000) 3.654 17.285 ( 0.000 -1.693 0.000) 1.693 17.347 ( 0.000 5.177 0.000) 5.177 17.426 ( 0.000 -2.465 0.000) 2.465 17.552 ( 0.000 -0.143 0.000) 0.143 17.585 ( 0.000 -2.741 0.000) 2.741 17.814 ( 0.000 2.905 0.000) 2.905 17.905 ( 0.000 -6.479 0.000) 6.479 18.449 ( 0.000 1.465 0.000) 1.465 18.462 ( 0.000 -0.059 0.000) 0.059 18.895 ( 0.000 6.159 0.000) 6.159 19.000 ( 0.000 -4.893 0.000) 4.893 19.229 ( 0.000 2.843 0.000) 2.843 19.279 ( 0.000 -2.346 0.000) 2.346 19.382 ( 0.000 1.548 0.000) 1.548 19.415 ( 0.000 -1.885 0.000) 1.885 19.867 ( 0.000 2.362 0.000) 2.362 19.911 ( 0.000 -2.061 0.000) 2.061 20.068 ( 0.000 -0.188 0.000) 0.188 20.072 ( 0.000 -0.698 0.000) 0.698 20.388 ( 0.000 3.034 0.000) 3.034 20.449 ( 0.000 -3.341 0.000) 3.341 20.935 ( 0.000 5.701 0.000) 5.701 21.045 ( 0.000 -5.845 0.000) 5.845 21.538 ( 0.000 1.296 0.000) 1.296 21.569 ( 0.000 -2.062 0.000) 2.062 21.655 ( 0.000 2.785 0.000) 2.785 21.707 ( 0.000 -2.607 0.000) 2.607 21.955 ( 0.000 2.333 0.000) 2.333 21.961 ( 0.000 2.984 0.000) 2.984 22.060 ( 0.000 0.455 0.000) 0.455 22.124 ( 0.000 -5.176 0.000) 5.176 22.408 ( 0.000 2.080 0.000) 2.080 22.443 ( 0.000 -1.667 0.000) 1.667 ======================= Grid point 19 (12/78) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 16.788 13.836 2.662) 21.916 1.194 ( 5.125 16.897 8.766) 19.714 1.254 ( 10.066 -4.378 5.687) 12.362 1.590 ( 1.945 -15.529 3.988) 16.151 1.740 ( 4.298 2.984 4.544) 6.930 1.821 ( 2.651 -4.432 2.859) 5.903 1.984 ( 5.213 7.771 11.254) 14.636 2.115 ( 5.363 -4.585 3.711) 7.972 2.160 ( -2.085 14.937 5.225) 15.961 2.226 ( 6.580 3.363 7.448) 10.492 2.286 ( 4.493 2.843 3.425) 6.324 2.373 ( 2.153 -1.527 1.528) 3.049 2.467 ( 0.508 10.832 6.314) 12.548 2.640 ( -2.963 5.178 -1.467) 6.143 2.713 ( -4.735 -1.341 -2.082) 5.343 2.750 ( -4.122 -3.081 4.136) 6.602 2.794 ( -2.370 4.219 3.284) 5.848 2.833 ( -10.587 1.409 -0.548) 10.694 2.944 ( 1.265 -5.595 3.311) 6.623 2.962 ( -3.588 5.592 -4.166) 7.842 3.026 ( 0.011 -7.722 -4.202) 8.791 3.113 ( -4.469 1.066 -2.362) 5.166 3.147 ( -0.931 -1.669 -1.988) 2.758 3.224 ( 2.067 -17.229 0.521) 17.361 3.257 ( 1.233 -1.049 -3.190) 3.577 3.288 ( -3.226 -5.627 -5.105) 8.254 3.318 ( -0.105 7.520 0.615) 7.546 3.401 ( 0.014 -0.140 -0.438) 0.460 3.480 ( 1.440 0.539 -0.540) 1.629 3.535 ( 0.346 -6.838 1.236) 6.957 3.588 ( -5.268 -1.548 -2.886) 6.203 3.634 ( -0.029 -3.106 1.766) 3.573 3.696 ( 3.250 3.159 1.282) 4.710 3.728 ( 2.718 -2.257 1.810) 3.970 3.795 ( 2.050 1.243 6.061) 6.518 3.836 ( -0.702 -1.404 5.644) 5.858 3.849 ( 4.466 5.150 -0.647) 6.847 3.979 ( -0.027 -6.228 3.153) 6.981 4.054 ( 2.503 3.428 -3.299) 5.375 4.078 ( 1.715 1.694 -1.832) 3.028 4.168 ( -2.396 3.459 1.599) 4.501 4.218 ( -0.424 0.172 1.598) 1.662 4.308 ( 2.204 4.653 -1.240) 5.295 4.364 ( 5.143 -1.621 2.458) 5.926 4.765 ( -2.687 1.209 0.205) 2.953 4.835 ( -3.832 -5.552 -0.577) 6.771 4.849 ( -2.880 2.701 -4.628) 6.084 4.901 ( -8.627 -0.560 -8.296) 11.982 4.982 ( -2.404 -0.682 -11.726) 11.990 5.014 ( -4.812 -2.397 -7.746) 9.429 5.047 ( -3.418 7.052 -2.407) 8.198 5.133 ( -0.453 2.410 0.490) 2.501 5.232 ( -2.836 0.876 2.311) 3.761 5.315 ( -5.330 -0.304 -1.267) 5.487 5.322 ( -5.502 -9.511 4.590) 11.907 5.424 ( -4.365 -9.309 4.170) 11.095 5.679 ( -0.917 4.497 -4.056) 6.125 5.759 ( -1.151 -3.678 2.136) 4.406 5.792 ( 0.481 1.779 -5.389) 5.695 5.822 ( 1.758 -0.047 -5.381) 5.661 5.965 ( -2.218 4.289 1.455) 5.043 5.996 ( 1.563 1.900 2.992) 3.874 6.044 ( -1.904 1.071 1.004) 2.405 6.094 ( -0.845 -3.106 -1.228) 3.445 6.212 ( -0.406 7.491 -4.366) 8.680 6.269 ( 3.190 2.686 -3.798) 5.640 6.336 ( 0.196 -3.122 -6.956) 7.627 6.372 ( -0.602 -7.034 -3.602) 7.925 6.401 ( 0.005 6.633 1.000) 6.708 6.536 ( 2.703 -6.170 4.242) 7.960 6.740 ( -3.107 0.783 3.423) 4.689 6.817 ( -1.805 -3.743 4.641) 6.229 6.935 ( -1.048 4.761 3.480) 5.990 7.004 ( 0.766 -0.785 0.176) 1.111 7.049 ( 1.860 1.865 -2.477) 3.615 7.087 ( -3.356 -0.666 2.532) 4.256 7.169 ( 1.348 1.263 -1.852) 2.616 7.192 ( -0.171 1.039 -1.795) 2.081 7.223 ( -2.651 -2.879 2.496) 4.641 7.322 ( 6.532 -7.475 0.320) 9.932 7.445 ( 5.204 3.546 1.157) 6.403 7.473 ( 5.430 -0.738 1.569) 5.700 7.560 ( 3.312 3.592 2.158) 5.341 7.664 ( 4.810 -6.395 1.151) 8.085 7.801 ( -3.850 2.695 -2.183) 5.181 7.851 ( -2.804 -2.000 -0.266) 3.455 8.024 ( 3.885 4.498 -1.239) 6.071 8.062 ( 7.344 0.444 -0.795) 7.400 8.257 ( -2.599 4.408 0.669) 5.161 8.331 ( -1.783 -3.033 1.269) 3.740 8.368 ( -0.900 9.218 -0.399) 9.271 8.517 ( 1.136 -5.483 -1.795) 5.880 8.830 ( 4.486 2.402 4.116) 6.545 8.914 ( 9.373 -4.932 2.896) 10.980 9.174 ( -4.001 4.494 -9.132) 10.936 9.239 ( -4.853 -3.433 -3.155) 6.730 9.299 ( 0.345 2.717 -4.697) 5.437 9.360 ( 0.772 -3.357 -4.006) 5.284 9.807 ( -3.191 2.998 3.744) 5.760 9.880 ( -1.420 -3.599 5.929) 7.080 9.953 ( 0.233 5.999 -6.592) 8.915 10.052 ( 1.874 -0.112 -4.232) 4.629 10.125 ( 1.660 -0.455 1.001) 1.992 10.189 ( 0.944 -3.502 2.146) 4.215 11.827 ( 0.282 2.247 1.282) 2.602 11.866 ( -0.281 -1.808 1.999) 2.710 11.936 ( -0.868 -0.108 0.494) 1.005 11.943 ( -1.171 -0.750 1.345) 1.935 13.721 ( 5.764 4.118 -1.045) 7.160 13.807 ( 4.823 -4.569 -0.420) 6.656 14.222 ( 0.486 2.693 -0.014) 2.736 14.292 ( 0.457 -4.675 -0.510) 4.725 14.451 ( -0.909 1.844 -2.635) 3.342 14.484 ( -1.746 -1.408 -3.005) 3.750 14.695 ( 1.355 2.627 2.466) 3.849 14.709 ( -0.170 1.240 1.567) 2.006 14.740 ( -0.342 -1.049 1.909) 2.205 14.781 ( 0.347 -4.269 1.772) 4.635 14.834 ( 0.628 3.399 2.039) 4.013 14.890 ( 1.295 -2.315 2.988) 3.996 15.058 ( 0.618 2.655 3.192) 4.198 15.120 ( -0.215 -4.072 3.559) 5.412 15.325 ( -4.145 3.324 -1.217) 5.451 15.386 ( -4.001 -2.923 -2.144) 5.399 15.609 ( -1.523 2.585 -3.255) 4.426 15.651 ( -0.271 -1.715 -1.877) 2.557 15.716 ( 1.725 2.556 0.231) 3.093 15.774 ( 4.382 -3.454 1.830) 5.872 16.151 ( -1.266 7.943 8.584) 11.764 16.307 ( -3.633 -7.791 3.899) 9.439 16.657 ( 3.114 0.634 -1.463) 3.499 16.674 ( 2.679 -0.931 -1.308) 3.123 17.089 ( -1.168 0.913 -1.423) 2.055 17.098 ( -0.835 -0.131 -1.658) 1.861 17.241 ( -0.164 3.954 2.011) 4.439 17.306 ( 0.601 -2.237 2.394) 3.331 17.328 ( 0.194 4.825 -2.962) 5.665 17.411 ( -0.144 -3.252 -2.083) 3.865 17.565 ( -1.026 1.142 3.107) 3.465 17.606 ( -0.990 -2.323 4.104) 4.819 17.834 ( 1.668 2.596 0.933) 3.224 17.922 ( 2.964 -6.216 -1.245) 6.998 18.429 ( -1.744 1.900 -3.326) 4.209 18.445 ( 0.095 0.144 -2.976) 2.981 18.841 ( -1.081 5.441 -7.890) 9.645 18.894 ( -5.954 2.816 -16.147) 17.439 19.056 ( -8.520 2.039 4.265) 9.744 19.110 ( -7.760 -2.217 -0.474) 8.085 19.422 ( 1.918 3.160 -0.245) 3.705 19.465 ( 1.762 -1.324 0.153) 2.209 19.874 ( -0.088 2.449 2.078) 3.213 19.917 ( -1.667 -1.850 2.174) 3.306 20.001 ( -1.386 1.499 -1.846) 2.752 20.028 ( -1.294 -1.318 -1.986) 2.712 20.508 ( 2.362 2.592 7.357) 8.150 20.592 ( 0.083 -6.368 8.244) 10.417 20.870 ( -4.601 2.468 -0.615) 5.257 20.945 ( -7.847 -4.765 -4.116) 10.061 21.530 ( -1.988 0.843 0.831) 2.314 21.542 ( -2.908 -0.357 0.353) 2.951 21.678 ( 0.029 1.131 1.485) 1.867 21.700 ( -0.485 -1.232 0.893) 1.597 21.944 ( 0.302 3.169 -1.294) 3.436 21.969 ( 0.439 1.118 0.045) 1.202 22.109 ( 6.529 1.632 -0.511) 6.749 22.187 ( 7.466 -5.888 -1.602) 9.642 22.463 ( 5.669 1.493 0.222) 5.867 22.506 ( 7.334 -3.053 -0.502) 7.960 ======================= Grid point 20 (13/78) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 20.289 7.355 1.601) 21.640 1.404 ( 13.961 2.787 0.918) 14.266 1.580 ( 11.455 9.702 10.919) 18.563 1.718 ( 5.639 -4.829 9.180) 11.807 1.899 ( 3.586 -1.941 8.218) 9.174 1.928 ( 2.534 -5.586 7.310) 9.542 2.144 ( -4.379 0.835 1.662) 4.758 2.169 ( -5.997 -1.560 8.930) 10.869 2.238 ( 3.640 12.982 4.155) 14.109 2.287 ( -0.297 6.421 -2.362) 6.848 2.384 ( -2.727 -4.106 -0.374) 4.943 2.434 ( -0.599 -7.199 1.580) 7.395 2.541 ( 1.836 8.486 1.124) 8.755 2.619 ( 0.084 2.509 0.444) 2.549 2.652 ( 1.362 0.486 -1.423) 2.029 2.682 ( -4.536 -4.244 0.646) 6.245 2.724 ( -2.745 6.450 1.862) 7.253 2.821 ( -1.898 1.634 2.362) 3.442 2.884 ( -0.280 0.095 10.702) 10.706 2.965 ( -0.867 -10.091 -2.888) 10.531 2.999 ( -8.546 5.029 1.709) 10.062 3.101 ( -2.714 2.907 -3.682) 5.420 3.112 ( -0.145 2.237 3.409) 4.080 3.185 ( 0.320 -2.353 -1.893) 3.037 3.195 ( 2.152 -4.881 7.984) 9.602 3.318 ( -0.038 -0.347 -0.280) 0.447 3.375 ( 2.013 -0.481 -0.859) 2.241 3.407 ( 3.620 -0.674 1.376) 3.931 3.497 ( 0.515 -2.161 2.880) 3.637 3.505 ( -2.556 1.466 1.380) 3.254 3.577 ( 1.764 -2.950 1.565) 3.777 3.635 ( -0.711 -4.840 -1.410) 5.092 3.748 ( 2.042 0.463 0.374) 2.127 3.765 ( 0.768 2.266 -0.521) 2.449 3.824 ( -1.918 0.540 -2.439) 3.150 3.886 ( -2.015 -1.948 4.579) 5.369 3.922 ( 4.463 1.760 2.770) 5.540 3.990 ( -0.164 -5.922 4.414) 7.388 4.092 ( 4.430 3.348 -2.082) 5.930 4.142 ( 5.226 -1.046 0.965) 5.416 4.177 ( -1.474 2.092 4.369) 5.063 4.214 ( -3.486 -0.334 1.583) 3.843 4.333 ( 3.608 6.712 -2.291) 7.957 4.473 ( 5.206 -6.475 0.262) 8.312 4.637 ( -7.307 1.449 -4.766) 8.843 4.644 ( -5.036 3.988 -5.684) 8.577 4.703 ( -4.518 2.514 -9.879) 11.150 4.778 ( -4.794 -3.493 -7.992) 9.952 4.827 ( -0.522 1.339 -3.233) 3.538 4.901 ( -0.914 -4.772 -3.926) 6.246 4.977 ( -3.809 0.874 -0.852) 4.000 5.023 ( -6.639 -2.422 -0.583) 7.091 5.183 ( -3.690 4.796 -0.672) 6.089 5.235 ( -6.577 0.649 5.252) 8.441 5.311 ( -4.225 -0.954 1.637) 4.630 5.415 ( -2.768 -11.101 1.983) 11.611 5.581 ( -4.109 3.186 -2.707) 5.862 5.679 ( -0.289 -6.067 -5.487) 8.185 5.753 ( -0.234 7.309 -0.904) 7.368 5.851 ( 2.987 -2.644 -0.648) 4.041 5.931 ( -4.105 2.000 -3.163) 5.555 5.971 ( -2.604 0.025 -0.210) 2.612 5.991 ( -1.157 -0.018 -3.032) 3.245 6.042 ( -2.613 -3.062 -4.040) 5.703 6.197 ( 1.268 3.548 -1.892) 4.216 6.234 ( -0.160 -0.758 -3.140) 3.234 6.273 ( 4.614 5.283 -4.720) 8.454 6.374 ( 5.010 -5.569 -4.628) 8.805 6.459 ( 2.594 4.958 3.925) 6.835 6.601 ( -1.081 -9.110 1.855) 9.360 6.755 ( -1.745 5.824 1.352) 6.228 6.828 ( -2.059 -1.329 2.398) 3.429 6.883 ( -3.957 -0.839 -0.882) 4.140 6.960 ( -4.179 -5.229 -5.107) 8.420 7.060 ( -1.133 3.852 3.604) 5.396 7.097 ( -3.035 0.195 5.872) 6.613 7.155 ( -0.778 -0.512 0.707) 1.169 7.188 ( 1.958 0.868 -3.132) 3.794 7.251 ( 2.156 4.222 3.154) 5.694 7.429 ( 5.100 -8.603 0.350) 10.007 7.498 ( 3.185 1.515 -3.782) 5.172 7.529 ( 3.130 -2.626 -4.234) 5.885 7.661 ( 3.828 4.910 -0.602) 6.255 7.740 ( 3.971 0.117 -0.511) 4.005 7.771 ( 1.161 2.313 3.562) 4.403 7.822 ( 0.555 0.310 0.567) 0.852 8.100 ( 5.849 3.409 0.507) 6.789 8.158 ( 3.842 -1.364 0.773) 4.149 8.230 ( -0.462 3.358 0.563) 3.436 8.298 ( -5.262 -0.239 -0.088) 5.268 8.319 ( -2.160 4.091 0.690) 4.677 8.485 ( -1.026 -8.484 -3.081) 9.084 8.955 ( 3.918 7.636 -1.081) 8.650 9.048 ( 1.062 2.566 -0.238) 2.787 9.097 ( 3.072 -0.728 -1.302) 3.415 9.124 ( 5.671 -6.579 -9.757) 13.063 9.329 ( 3.407 -0.273 6.579) 7.414 9.373 ( 4.572 -3.111 4.028) 6.841 9.809 ( -2.972 6.516 3.708) 8.065 9.872 ( 1.016 6.734 -6.017) 9.088 9.930 ( -2.454 -4.435 6.212) 8.018 10.008 ( 1.055 -4.540 -5.583) 7.272 10.163 ( 1.665 2.360 0.008) 2.889 10.227 ( 0.327 -3.080 1.305) 3.360 11.846 ( -0.340 1.701 1.206) 2.113 11.872 ( -1.453 -0.909 0.779) 1.883 11.924 ( -1.621 0.120 0.651) 1.751 11.939 ( -1.305 -1.271 1.021) 2.088 13.798 ( 6.055 4.232 -1.500) 7.539 13.885 ( 6.347 -4.557 -1.351) 7.930 14.231 ( 0.349 1.263 -0.281) 1.340 14.281 ( -0.219 -3.846 -2.022) 4.351 14.415 ( -0.045 1.803 -0.681) 1.928 14.440 ( 0.335 -0.738 -0.370) 0.891 14.709 ( -1.907 1.464 0.801) 2.534 14.733 ( -1.390 0.828 0.837) 1.821 14.761 ( 0.356 -0.824 1.185) 1.487 14.791 ( 1.389 -3.261 1.195) 3.741 14.892 ( 0.499 2.694 3.497) 4.442 14.941 ( -0.208 -2.071 2.092) 2.951 15.124 ( 1.251 2.532 2.988) 4.111 15.160 ( -0.471 -1.050 1.396) 1.810 15.218 ( -5.182 1.770 -2.180) 5.894 15.268 ( -6.343 -3.093 -2.406) 7.455 15.538 ( -1.426 3.544 -2.265) 4.441 15.611 ( -0.356 -4.035 -1.733) 4.406 15.786 ( 3.571 3.651 2.389) 5.639 15.875 ( 4.269 -5.586 2.130) 7.346 16.260 ( -1.584 3.583 10.297) 11.017 16.308 ( -4.286 -0.773 5.423) 6.955 16.675 ( 2.776 0.798 -3.291) 4.379 16.699 ( 3.472 -1.723 -2.802) 4.783 17.050 ( -0.625 0.974 -1.649) 2.014 17.067 ( -0.350 -1.123 -0.854) 1.454 17.267 ( -0.643 3.841 -0.341) 3.909 17.290 ( -0.104 3.971 0.174) 3.976 17.345 ( -0.001 -2.261 0.740) 2.379 17.387 ( 1.131 -3.836 -0.339) 4.014 17.599 ( -2.519 3.705 5.832) 7.355 17.652 ( -0.414 -0.733 3.780) 3.873 17.881 ( 1.665 0.677 1.855) 2.583 17.944 ( 3.143 -4.327 -3.558) 6.423 18.263 ( -5.395 6.891 -8.773) 12.392 18.357 ( -3.035 -3.161 -7.425) 8.622 18.708 ( 0.670 4.163 -4.187) 5.942 18.728 ( 1.145 2.519 -4.456) 5.245 19.045 ( -4.265 -0.570 4.072) 5.924 19.063 ( -2.993 -2.097 5.037) 6.223 19.438 ( 1.634 2.014 -0.432) 2.630 19.472 ( 0.870 -1.505 -0.840) 1.931 19.899 ( -1.965 1.244 0.614) 2.406 19.915 ( -0.718 -0.216 1.140) 1.364 19.990 ( 1.400 1.459 -0.373) 2.056 20.012 ( 1.493 -0.710 -0.158) 1.661 20.507 ( -9.629 1.471 -4.603) 10.774 20.548 ( -7.392 -2.580 -0.691) 7.859 20.786 ( -3.537 2.899 -0.039) 4.574 20.882 ( -1.292 -7.138 5.671) 9.208 21.494 ( -3.610 1.442 1.057) 4.029 21.512 ( -3.339 -0.480 2.080) 3.963 21.688 ( 0.781 0.739 -0.391) 1.144 21.707 ( 0.743 -1.301 -0.982) 1.792 21.940 ( 1.167 3.089 -0.902) 3.423 21.975 ( 0.534 -0.239 -0.220) 0.625 22.219 ( 7.363 2.249 -0.139) 7.700 22.280 ( 6.186 -3.411 -0.752) 7.103 22.561 ( 6.279 0.542 -0.053) 6.303 22.605 ( 6.049 -3.651 -1.001) 7.136 ======================= Grid point 21 (14/78) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 11.144 4.200 -3.481) 12.407 1.626 ( 12.165 -0.185 -3.956) 12.794 1.777 ( 5.610 13.184 3.668) 14.790 1.952 ( 2.479 -4.138 -2.511) 5.438 2.058 ( 1.988 0.873 7.378) 7.691 2.071 ( 1.016 3.136 3.444) 4.767 2.084 ( -3.160 0.406 10.241) 10.725 2.182 ( -4.325 -1.258 2.732) 5.268 2.197 ( -2.860 2.613 5.238) 6.515 2.296 ( -2.458 -2.946 -1.368) 4.073 2.331 ( -0.237 0.512 7.323) 7.345 2.370 ( -2.069 -3.250 -1.855) 4.276 2.554 ( 0.776 6.593 -1.600) 6.829 2.593 ( 2.033 5.895 -3.738) 7.270 2.653 ( -0.443 0.952 1.974) 2.236 2.671 ( 1.347 -2.072 -1.412) 2.846 2.830 ( 1.434 -0.518 1.854) 2.400 2.835 ( -0.339 -2.384 -0.097) 2.410 2.903 ( -3.097 0.691 5.502) 6.351 2.965 ( 1.709 -5.212 2.767) 6.144 3.014 ( -1.663 1.794 1.370) 2.804 3.074 ( -0.344 -1.030 -1.968) 2.248 3.157 ( -0.845 0.284 2.129) 2.308 3.174 ( -2.881 0.996 -3.443) 4.598 3.244 ( -1.056 -1.320 7.775) 7.956 3.267 ( -0.050 -3.079 6.058) 6.795 3.371 ( -4.724 1.516 -2.141) 5.403 3.411 ( -3.481 -3.478 1.853) 5.258 3.511 ( 1.364 5.168 -1.317) 5.505 3.582 ( -0.101 -1.470 0.605) 1.593 3.615 ( -0.317 -2.884 -0.016) 2.901 3.670 ( 1.083 1.167 1.432) 2.141 3.714 ( 2.117 2.674 2.417) 4.180 3.813 ( 4.112 6.071 3.879) 8.295 3.834 ( -1.239 -4.131 -2.185) 4.835 3.929 ( 4.855 -2.233 6.568) 8.467 4.006 ( 1.689 1.487 -1.479) 2.693 4.049 ( -3.228 -1.306 2.357) 4.205 4.090 ( 1.078 0.629 -4.222) 4.402 4.172 ( -3.126 -0.566 0.423) 3.205 4.200 ( 1.622 -0.667 -0.301) 1.780 4.216 ( 0.342 0.333 -0.121) 0.493 4.363 ( 5.635 9.495 1.001) 11.087 4.485 ( -1.378 1.259 -4.425) 4.803 4.519 ( 1.099 -1.919 -6.132) 6.519 4.558 ( -1.256 -5.811 -2.097) 6.304 4.605 ( -0.474 -1.914 8.153) 8.388 4.641 ( -2.002 -2.380 -0.798) 3.211 4.743 ( -2.064 5.081 -4.541) 7.120 4.866 ( 3.132 -6.256 -2.729) 7.509 4.930 ( -1.171 2.242 -0.247) 2.542 4.993 ( -1.820 -2.185 1.169) 3.074 5.112 ( -2.153 1.005 -1.585) 2.856 5.196 ( -4.984 -3.660 2.414) 6.638 5.246 ( -5.364 1.582 0.716) 5.638 5.329 ( -6.649 -9.123 -2.536) 11.570 5.543 ( -0.442 4.037 -0.846) 4.148 5.635 ( -0.839 -4.166 -3.200) 5.320 5.748 ( 2.237 2.668 -1.729) 3.888 5.810 ( -1.501 -3.501 -3.855) 5.419 5.886 ( -5.336 0.521 -3.659) 6.491 5.906 ( 0.045 1.490 0.825) 1.703 5.942 ( 1.267 2.490 1.363) 3.109 6.025 ( 3.080 -3.057 2.435) 4.976 6.143 ( -2.311 3.748 -2.763) 5.198 6.206 ( -0.255 -1.163 -3.625) 3.816 6.295 ( 4.928 4.583 -4.124) 7.893 6.353 ( 2.318 -0.732 -7.769) 8.140 6.517 ( -2.112 1.476 1.517) 2.990 6.560 ( -3.949 -2.243 0.933) 4.636 6.712 ( 0.891 2.378 -3.840) 4.603 6.767 ( -1.177 -1.341 -5.179) 5.478 6.891 ( -2.785 -3.263 7.471) 8.614 6.904 ( -2.545 -4.729 6.434) 8.381 7.091 ( -2.256 5.855 2.338) 6.696 7.112 ( -1.000 1.492 0.548) 1.878 7.156 ( -0.963 -2.882 1.389) 3.341 7.175 ( 0.885 -1.656 -0.288) 1.900 7.304 ( 1.765 4.776 -1.951) 5.452 7.438 ( 0.977 -4.261 -6.795) 8.080 7.473 ( 0.208 -0.890 -4.238) 4.335 7.486 ( 1.035 -2.812 -0.198) 3.003 7.699 ( 2.058 4.983 0.252) 5.397 7.731 ( 1.434 3.749 -3.502) 5.327 7.879 ( 3.974 1.802 2.500) 5.029 7.900 ( 3.741 -1.048 2.397) 4.565 8.166 ( 0.219 1.679 -0.147) 1.699 8.177 ( -3.392 2.093 4.067) 5.695 8.228 ( -1.141 5.110 0.124) 5.237 8.273 ( 3.628 1.319 -1.191) 4.040 8.320 ( -0.151 -3.972 1.911) 4.410 8.420 ( -1.348 -8.926 -3.244) 9.592 8.987 ( 3.322 3.886 -0.704) 5.161 9.036 ( -0.472 3.605 -0.622) 3.689 9.058 ( 1.276 -3.096 -2.540) 4.204 9.147 ( 1.663 -7.212 -2.536) 7.824 9.509 ( 6.926 5.287 6.139) 10.659 9.598 ( 8.260 -3.335 7.431) 11.600 9.816 ( 0.764 8.501 -0.019) 8.535 9.836 ( -0.686 5.674 0.589) 5.746 9.942 ( 0.413 -4.339 -5.322) 6.879 9.984 ( -1.342 -5.041 6.224) 8.121 10.158 ( -0.590 2.259 -2.395) 3.345 10.223 ( -0.991 -3.588 -0.982) 3.850 11.843 ( -1.071 0.811 0.031) 1.344 11.851 ( -1.381 0.136 0.090) 1.391 11.908 ( -1.210 0.765 0.362) 1.476 11.934 ( -0.710 -1.715 0.523) 1.929 13.862 ( 3.952 4.783 -0.808) 6.257 13.962 ( 5.478 -5.541 -0.865) 7.840 14.206 ( -1.678 0.107 -1.555) 2.290 14.233 ( -1.435 -2.618 -2.366) 3.810 14.453 ( 3.301 2.950 1.844) 4.795 14.488 ( 3.427 -0.465 2.341) 4.176 14.672 ( -3.400 -0.490 -0.582) 3.484 14.690 ( -2.922 -1.979 -0.492) 3.563 14.788 ( 1.079 3.085 0.720) 3.346 14.837 ( 1.772 -1.423 0.929) 2.455 14.907 ( -2.294 1.594 0.166) 2.798 14.953 ( -0.848 -2.792 1.343) 3.212 15.058 ( -5.619 2.686 -1.823) 6.490 15.105 ( -3.324 -1.451 -2.427) 4.364 15.204 ( -0.621 -0.582 1.163) 1.441 15.215 ( 0.928 -1.169 0.801) 1.694 15.523 ( 0.622 3.354 0.161) 3.415 15.600 ( 0.617 -4.606 -0.504) 4.675 15.867 ( 2.340 3.465 2.169) 4.710 15.947 ( 1.887 -4.844 1.281) 5.354 16.311 ( -2.805 6.131 3.725) 7.703 16.376 ( -1.071 -0.682 9.089) 9.177 16.643 ( 1.181 2.426 -5.839) 6.432 16.699 ( 1.896 -3.316 -2.924) 4.811 17.040 ( 0.671 1.402 -0.077) 1.556 17.070 ( 0.719 -1.950 0.547) 2.149 17.227 ( -0.822 3.257 -1.815) 3.818 17.285 ( -1.425 -2.069 -0.786) 2.632 17.361 ( 1.038 2.899 1.600) 3.470 17.425 ( 0.975 -2.803 1.573) 3.359 17.637 ( -3.585 5.788 6.625) 9.500 17.678 ( 1.080 2.812 -1.031) 3.184 17.902 ( -1.480 -0.079 -1.468) 2.086 17.929 ( 1.397 -3.946 -0.674) 4.240 18.141 ( 0.575 0.792 -4.076) 4.192 18.207 ( -2.949 -4.696 -5.308) 7.676 18.702 ( 2.216 4.959 -1.212) 5.565 18.763 ( 5.136 -0.903 -0.702) 5.261 19.021 ( -5.621 3.470 3.685) 7.564 19.098 ( -1.961 -3.940 4.711) 6.447 19.485 ( 4.567 0.914 0.560) 4.691 19.505 ( 4.409 -1.242 0.555) 4.614 19.837 ( -4.234 2.529 -2.131) 5.372 19.878 ( -3.947 -1.823 -1.665) 4.656 20.020 ( 2.409 1.882 0.118) 3.059 20.059 ( 2.811 -1.841 0.904) 3.480 20.289 ( -8.307 1.647 -4.602) 9.638 20.338 ( -9.480 -3.324 -5.099) 11.266 20.805 ( 0.157 5.557 2.734) 6.195 20.927 ( -0.744 -7.198 3.039) 7.849 21.460 ( -2.418 2.377 0.890) 3.506 21.492 ( -2.331 -1.100 1.652) 3.062 21.691 ( 0.800 0.002 -1.187) 1.432 21.698 ( 0.480 -0.738 -1.242) 1.522 21.951 ( 1.140 2.377 -0.367) 2.662 21.981 ( 0.403 -0.539 0.017) 0.673 22.314 ( 4.673 2.162 0.000) 5.149 22.346 ( 2.959 -0.615 -0.195) 3.029 22.637 ( 3.665 -0.691 -0.548) 3.770 22.669 ( 3.303 -3.382 0.140) 4.730 ======================= Grid point 22 (15/78) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 5.298 0.000) 5.298 1.690 ( 0.000 -1.695 0.000) 1.695 1.851 ( 0.000 8.228 0.000) 8.228 1.893 ( -0.000 3.801 -0.000) 3.801 2.023 ( 0.000 4.505 0.000) 4.505 2.093 ( 0.000 -3.049 0.000) 3.049 2.151 ( 0.000 5.027 0.000) 5.027 2.212 ( 0.000 -2.523 0.000) 2.523 2.221 ( 0.000 -4.010 -0.000) 4.010 2.272 ( -0.000 -4.710 0.000) 4.710 2.429 ( 0.000 6.645 0.000) 6.645 2.481 ( 0.000 11.785 0.000) 11.785 2.540 ( 0.000 -4.905 0.000) 4.905 2.576 ( -0.000 0.667 -0.000) 0.667 2.619 ( 0.000 5.948 0.000) 5.948 2.661 ( 0.000 -4.190 0.000) 4.190 2.816 ( -0.000 1.179 0.000) 1.179 2.845 ( 0.000 -9.855 0.000) 9.855 2.944 ( 0.000 0.086 0.000) 0.086 3.001 ( 0.000 -5.266 0.000) 5.266 3.007 ( -0.000 5.453 -0.000) 5.453 3.020 ( 0.000 3.430 0.000) 3.430 3.087 ( 0.000 0.003 0.000) 0.003 3.198 ( -0.000 -7.116 0.000) 7.116 3.274 ( 0.000 1.810 0.000) 1.810 3.303 ( 0.000 -2.408 -0.000) 2.408 3.332 ( -0.000 -0.757 0.000) 0.757 3.403 ( 0.000 -7.081 0.000) 7.081 3.535 ( 0.000 2.903 0.000) 2.903 3.558 ( -0.000 5.952 0.000) 5.952 3.655 ( -0.000 4.745 0.000) 4.745 3.665 ( 0.000 3.323 0.000) 3.323 3.773 ( 0.000 -1.693 0.000) 1.693 3.796 ( -0.000 -7.305 -0.000) 7.305 3.915 ( -0.000 1.537 -0.000) 1.537 3.924 ( 0.000 9.064 0.000) 9.064 3.999 ( 0.000 -5.331 0.000) 5.331 4.024 ( 0.000 1.648 -0.000) 1.648 4.091 ( 0.000 -0.503 0.000) 0.503 4.132 ( -0.000 -5.704 -0.000) 5.704 4.197 ( 0.000 1.827 -0.000) 1.827 4.204 ( -0.000 0.085 0.000) 0.085 4.454 ( 0.000 1.666 0.000) 1.666 4.469 ( 0.000 1.958 0.000) 1.958 4.519 ( 0.000 2.135 0.000) 2.135 4.542 ( -0.000 -1.328 0.000) 1.328 4.593 ( 0.000 5.010 0.000) 5.010 4.626 ( 0.000 5.613 0.000) 5.613 4.801 ( 0.000 -7.056 0.000) 7.056 4.900 ( 0.000 -9.852 0.000) 9.852 4.912 ( 0.000 -0.444 0.000) 0.444 4.975 ( -0.000 1.090 -0.000) 1.090 5.107 ( -0.000 -2.907 0.000) 2.907 5.126 ( 0.000 -4.402 0.000) 4.402 5.213 ( 0.000 -0.576 0.000) 0.576 5.233 ( -0.000 -4.579 0.000) 4.579 5.513 ( 0.000 3.182 0.000) 3.182 5.569 ( 0.000 -2.042 0.000) 2.042 5.742 ( 0.000 2.019 0.000) 2.019 5.768 ( 0.000 -2.226 0.000) 2.226 5.874 ( 0.000 0.050 0.000) 0.050 5.899 ( -0.000 -3.035 -0.000) 3.035 6.006 ( -0.000 8.972 0.000) 8.972 6.058 ( 0.000 2.130 0.000) 2.130 6.116 ( 0.000 -0.994 0.000) 0.994 6.151 ( 0.000 -2.644 0.000) 2.644 6.297 ( 0.000 1.606 -0.000) 1.606 6.302 ( 0.000 0.545 0.000) 0.545 6.503 ( 0.000 0.048 0.000) 0.048 6.522 ( 0.000 -1.374 0.000) 1.374 6.686 ( -0.000 2.944 0.000) 2.944 6.743 ( 0.000 -1.976 0.000) 1.976 6.925 ( 0.000 1.312 0.000) 1.312 6.964 ( 0.000 -2.986 0.000) 2.986 7.042 ( 0.000 0.174 -0.000) 0.174 7.114 ( 0.000 -5.245 -0.000) 5.245 7.165 ( -0.000 4.630 0.000) 4.630 7.186 ( 0.000 2.688 -0.000) 2.688 7.291 ( 0.000 0.565 0.000) 0.565 7.379 ( 0.000 -6.107 0.000) 6.107 7.454 ( 0.000 1.032 0.000) 1.032 7.494 ( 0.000 -3.044 0.000) 3.044 7.715 ( -0.000 4.434 0.000) 4.434 7.721 ( 0.000 6.692 -0.000) 6.692 7.927 ( -0.000 -0.132 0.000) 0.132 7.950 ( 0.000 -1.305 0.000) 1.305 8.155 ( 0.000 1.622 -0.000) 1.622 8.172 ( 0.000 2.725 0.000) 2.725 8.237 ( 0.000 5.593 0.000) 5.593 8.285 ( 0.000 1.297 -0.000) 1.297 8.361 ( -0.000 -5.813 -0.000) 5.813 8.364 ( 0.000 -8.353 0.000) 8.353 9.001 ( 0.000 5.713 0.000) 5.713 9.048 ( -0.000 -0.664 0.000) 0.664 9.057 ( 0.000 -1.730 0.000) 1.730 9.132 ( 0.000 -8.193 0.000) 8.193 9.613 ( 0.000 8.027 0.000) 8.027 9.722 ( 0.000 -1.255 0.000) 1.255 9.830 ( 0.000 1.369 0.000) 1.369 9.867 ( 0.000 9.581 0.000) 9.581 9.880 ( 0.000 -2.932 0.000) 2.932 10.046 ( 0.000 -8.184 0.000) 8.184 10.105 ( 0.000 5.121 0.000) 5.121 10.198 ( 0.000 -4.608 0.000) 4.608 11.831 ( 0.000 0.810 0.000) 0.810 11.841 ( 0.000 -0.038 0.000) 0.038 11.900 ( 0.000 1.173 0.000) 1.173 11.932 ( 0.000 -1.843 0.000) 1.843 13.889 ( 0.000 5.228 0.000) 5.228 14.009 ( 0.000 -7.388 0.000) 7.388 14.172 ( 0.000 0.942 0.000) 0.942 14.200 ( 0.000 -2.044 0.000) 2.044 14.509 ( -0.000 4.182 0.000) 4.182 14.578 ( -0.000 4.054 -0.000) 4.054 14.595 ( 0.000 -4.735 0.000) 4.735 14.658 ( 0.000 -4.300 0.000) 4.300 14.803 ( 0.000 4.617 0.000) 4.617 14.863 ( 0.000 3.288 0.000) 3.288 14.870 ( -0.000 -2.132 -0.000) 2.132 14.941 ( 0.000 -4.940 0.000) 4.940 15.010 ( 0.000 2.846 0.000) 2.846 15.061 ( 0.000 -2.634 0.000) 2.634 15.210 ( 0.000 0.413 0.000) 0.413 15.227 ( 0.000 -0.994 0.000) 0.994 15.533 ( 0.000 2.695 -0.000) 2.695 15.604 ( 0.000 -4.563 0.000) 4.563 15.902 ( 0.000 3.032 0.000) 3.032 15.968 ( 0.000 -3.818 0.000) 3.818 16.314 ( 0.000 9.098 0.000) 9.098 16.446 ( 0.000 -4.837 0.000) 4.837 16.594 ( 0.000 5.759 0.000) 5.759 16.692 ( 0.000 -4.458 0.000) 4.458 17.049 ( 0.000 1.709 0.000) 1.709 17.084 ( 0.000 -1.921 0.000) 1.921 17.207 ( 0.000 2.552 0.000) 2.552 17.262 ( 0.000 -2.965 0.000) 2.965 17.386 ( 0.000 3.851 0.000) 3.851 17.443 ( 0.000 -1.892 0.000) 1.892 17.663 ( 0.000 5.955 -0.000) 5.955 17.665 ( -0.000 5.698 0.000) 5.698 17.876 ( 0.000 -0.887 0.000) 0.887 17.932 ( -0.000 -7.240 0.000) 7.240 18.123 ( 0.000 -1.148 0.000) 1.148 18.154 ( 0.000 -3.794 0.000) 3.794 18.715 ( 0.000 5.846 0.000) 5.846 18.811 ( 0.000 -4.353 0.000) 4.353 18.991 ( 0.000 7.750 0.000) 7.750 19.115 ( 0.000 -5.172 0.000) 5.172 19.551 ( 0.000 1.370 0.000) 1.370 19.580 ( -0.000 -1.666 0.000) 1.666 19.761 ( 0.000 1.796 0.000) 1.796 19.797 ( 0.000 -2.014 0.000) 2.014 20.051 ( 0.000 1.250 0.000) 1.250 20.091 ( 0.000 -2.794 0.000) 2.794 20.199 ( 0.000 0.394 0.000) 0.394 20.201 ( -0.000 -0.038 -0.000) 0.038 20.827 ( 0.000 5.199 0.000) 5.199 20.941 ( 0.000 -6.708 0.000) 6.708 21.446 ( 0.000 2.786 0.000) 2.786 21.485 ( 0.000 -1.332 0.000) 1.332 21.686 ( 0.000 0.136 0.000) 0.136 21.695 ( 0.000 -0.959 0.000) 0.959 21.958 ( 0.000 2.087 0.000) 2.087 21.985 ( 0.000 -0.535 0.000) 0.535 22.355 ( 0.000 1.610 0.000) 1.610 22.364 ( -0.000 0.942 0.000) 0.942 22.660 ( 0.000 -0.421 0.000) 0.421 22.699 ( 0.000 -4.102 0.000) 4.102 ======================= Grid point 45 (16/78) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -1.944 0.000 23.641) 23.721 0.525 ( 0.040 0.000 28.939) 28.939 1.021 ( -3.314 0.000 53.648) 53.750 1.409 ( -2.237 0.000 1.171) 2.525 1.460 ( 4.259 0.000 -0.173) 4.262 1.766 ( 6.359 0.000 2.972) 7.019 1.978 ( -2.030 0.000 -0.529) 2.098 2.032 ( 0.849 0.000 -0.043) 0.850 2.130 ( -2.328 0.000 8.029) 8.360 2.276 ( 8.727 0.000 2.693) 9.133 2.351 ( 15.647 0.000 1.886) 15.760 2.379 ( 0.884 0.000 3.911) 4.010 2.583 ( 0.478 0.000 5.912) 5.931 2.586 ( 1.258 0.000 8.829) 8.918 2.666 ( -2.805 0.000 0.546) 2.858 2.781 ( -0.052 0.000 -1.969) 1.970 2.851 ( -3.329 0.000 -0.036) 3.329 2.877 ( -1.201 0.000 -5.330) 5.464 2.983 ( 4.448 0.000 -1.826) 4.809 2.986 ( -0.256 0.000 2.662) 2.674 3.043 ( -0.572 0.000 2.328) 2.398 3.078 ( 1.090 0.000 -5.312) 5.423 3.220 ( -3.028 0.000 -2.828) 4.143 3.307 ( 0.667 0.000 -9.038) 9.063 3.322 ( -2.473 0.000 -4.180) 4.857 3.373 ( 5.619 0.000 1.032) 5.713 3.388 ( -6.327 0.000 -0.057) 6.327 3.440 ( 6.400 0.000 0.584) 6.426 3.494 ( -7.010 0.000 -0.420) 7.022 3.607 ( -0.233 0.000 -5.266) 5.271 3.627 ( 0.527 0.000 2.290) 2.350 3.636 ( 4.487 0.000 3.477) 5.676 3.712 ( 0.465 0.000 -0.012) 0.465 3.772 ( -0.122 0.000 6.254) 6.256 3.791 ( 0.973 0.000 1.466) 1.759 3.815 ( 0.159 0.000 3.706) 3.710 3.820 ( 2.098 0.000 -1.156) 2.395 3.887 ( -0.130 0.000 3.964) 3.966 3.945 ( 1.524 0.000 0.932) 1.786 4.030 ( 1.289 0.000 2.585) 2.889 4.100 ( -0.283 0.000 -0.955) 0.996 4.121 ( 4.466 0.000 -0.984) 4.573 4.251 ( 0.104 0.000 4.563) 4.564 4.617 ( 0.884 0.000 -4.229) 4.320 4.727 ( 3.050 0.000 -21.057) 21.276 4.770 ( 3.597 0.000 0.719) 3.668 4.817 ( -2.906 0.000 -6.581) 7.194 4.850 ( 7.413 0.000 -2.619) 7.862 4.901 ( -10.974 0.000 2.126) 11.178 5.068 ( -0.994 0.000 -3.826) 3.953 5.094 ( -9.288 0.000 -5.920) 11.014 5.213 ( -6.554 0.000 -9.922) 11.891 5.309 ( -1.194 0.000 -1.346) 1.799 5.378 ( 10.589 0.000 0.705) 10.612 5.503 ( -7.508 0.000 -5.091) 9.071 5.571 ( -4.817 0.000 1.748) 5.125 5.627 ( 1.140 0.000 0.215) 1.160 5.751 ( 5.841 0.000 3.485) 6.802 5.776 ( -0.972 0.000 11.881) 11.920 5.783 ( 0.508 0.000 3.015) 3.057 5.975 ( -4.779 0.000 4.114) 6.306 5.984 ( -5.922 0.000 -0.312) 5.930 6.042 ( -0.509 0.000 1.490) 1.575 6.080 ( 0.299 0.000 -0.140) 0.330 6.166 ( -1.133 0.000 -4.581) 4.719 6.190 ( 5.969 0.000 5.530) 8.137 6.256 ( -0.746 0.000 -6.061) 6.107 6.348 ( -0.912 0.000 1.205) 1.511 6.477 ( 1.847 0.000 -1.154) 2.178 6.622 ( 0.036 0.000 6.076) 6.076 6.649 ( -2.277 0.000 -8.689) 8.983 6.786 ( 6.098 0.000 -3.792) 7.180 6.800 ( 3.211 0.000 -1.075) 3.386 7.071 ( -1.220 0.000 -0.657) 1.386 7.127 ( 2.002 0.000 4.414) 4.847 7.146 ( -0.186 0.000 3.716) 3.721 7.192 ( 1.248 0.000 9.416) 9.499 7.228 ( 0.644 0.000 -1.974) 2.076 7.300 ( 0.649 0.000 2.157) 2.252 7.398 ( 3.309 0.000 -0.297) 3.322 7.422 ( -0.004 0.000 -1.316) 1.316 7.467 ( -1.004 0.000 -1.742) 2.011 7.484 ( -1.836 0.000 -1.206) 2.196 7.725 ( 10.326 0.000 -2.807) 10.701 7.764 ( -3.050 0.000 1.391) 3.352 7.771 ( -2.133 0.000 -6.533) 6.872 7.865 ( 0.102 0.000 1.457) 1.460 7.976 ( 6.740 0.000 0.236) 6.745 8.031 ( 2.331 0.000 1.861) 2.983 8.254 ( 2.874 0.000 1.643) 3.310 8.437 ( -29.084 0.000 0.544) 29.089 8.555 ( -1.747 0.000 -1.342) 2.203 8.601 ( 2.637 0.000 -3.214) 4.158 8.921 ( 0.974 0.000 4.864) 4.961 8.957 ( -0.117 0.000 2.525) 2.528 9.111 ( 6.467 0.000 -12.720) 14.269 9.390 ( -2.276 0.000 7.494) 7.832 9.483 ( -6.634 0.000 0.029) 6.634 9.703 ( -3.340 0.000 -7.030) 7.783 9.826 ( 0.309 0.000 -0.138) 0.338 9.908 ( 0.952 0.000 -0.161) 0.966 10.117 ( 7.366 0.000 0.575) 7.388 10.128 ( 1.339 0.000 5.679) 5.835 10.219 ( -3.295 0.000 -0.421) 3.322 11.775 ( 0.592 0.000 1.730) 1.829 11.948 ( -0.544 0.000 -0.659) 0.855 11.978 ( 0.192 0.000 1.459) 1.472 12.080 ( 1.802 0.000 -0.771) 1.960 13.622 ( -12.209 0.000 1.707) 12.328 13.845 ( 0.681 0.000 -1.779) 1.905 14.181 ( 0.388 0.000 1.209) 1.270 14.399 ( -0.040 0.000 -2.813) 2.813 14.410 ( 0.625 0.000 -1.786) 1.892 14.518 ( -2.489 0.000 -3.190) 4.046 14.698 ( 0.416 0.000 3.104) 3.132 14.706 ( 3.166 0.000 -0.065) 3.167 14.752 ( 0.992 0.000 2.730) 2.904 14.802 ( 1.201 0.000 1.749) 2.121 14.832 ( 3.910 0.000 0.691) 3.971 14.931 ( 2.375 0.000 2.740) 3.626 14.948 ( -1.389 0.000 2.056) 2.481 15.213 ( 1.509 0.000 1.825) 2.368 15.412 ( -5.565 0.000 -7.640) 9.452 15.469 ( 1.712 0.000 -1.174) 2.076 15.586 ( -5.957 0.000 1.842) 6.235 15.627 ( 0.795 0.000 -0.258) 0.836 15.692 ( 16.454 0.000 2.305) 16.614 15.715 ( -0.831 0.000 -0.263) 0.872 16.251 ( 17.143 0.000 3.951) 17.592 16.542 ( -8.174 0.000 -2.740) 8.621 16.602 ( 6.659 0.000 0.616) 6.687 16.685 ( -1.212 0.000 -0.927) 1.526 17.129 ( 2.466 0.000 -0.996) 2.660 17.155 ( -0.693 0.000 -0.860) 1.105 17.156 ( -2.766 0.000 2.209) 3.540 17.218 ( 1.761 0.000 1.400) 2.249 17.423 ( 0.164 0.000 0.136) 0.213 17.539 ( 4.495 0.000 -5.472) 7.081 17.666 ( 0.379 0.000 0.394) 0.547 17.710 ( -30.608 0.000 -2.668) 30.724 17.774 ( -2.991 0.000 3.438) 4.557 17.860 ( -7.088 0.000 4.051) 8.164 18.102 ( 3.260 0.000 -0.746) 3.344 18.365 ( -0.376 0.000 -0.715) 0.808 18.463 ( 0.998 0.000 0.420) 1.083 18.691 ( -1.312 0.000 -4.902) 5.075 19.156 ( -1.290 0.000 0.653) 1.446 19.193 ( -13.287 0.000 -0.898) 13.317 19.349 ( -0.111 0.000 2.370) 2.373 19.443 ( 2.427 0.000 1.093) 2.662 19.810 ( 0.596 0.000 -0.342) 0.687 19.947 ( -0.027 0.000 0.006) 0.027 20.053 ( -0.231 0.000 -2.409) 2.420 20.054 ( -7.964 0.000 -1.948) 8.198 20.460 ( 4.357 0.000 4.155) 6.020 20.768 ( -3.683 0.000 -3.535) 5.105 21.176 ( -5.542 0.000 -0.473) 5.562 21.217 ( 42.090 0.000 -0.688) 42.096 21.493 ( -1.569 0.000 0.999) 1.860 21.518 ( 3.337 0.000 0.875) 3.450 21.609 ( 1.302 0.000 0.934) 1.602 21.752 ( 0.370 0.000 -1.072) 1.134 21.798 ( -0.489 0.000 1.002) 1.115 21.980 ( 3.476 0.000 -3.788) 5.141 22.122 ( -5.593 0.000 2.425) 6.096 22.292 ( 1.205 0.000 -1.676) 2.064 22.327 ( -14.502 0.000 1.650) 14.596 22.441 ( 0.501 0.000 -0.222) 0.548 ======================= Grid point 46 (17/78) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 17.182 0.000 15.179) 22.926 0.948 ( 5.594 0.000 22.845) 23.520 1.431 ( 2.169 0.000 0.025) 2.169 1.553 ( 9.067 0.000 10.767) 14.076 1.805 ( 7.362 0.000 35.338) 36.097 1.808 ( 10.434 0.000 -12.752) 16.477 2.008 ( 0.375 0.000 -1.224) 1.280 2.061 ( 1.691 0.000 8.360) 8.529 2.252 ( 0.451 0.000 13.537) 13.545 2.396 ( 2.459 0.000 2.755) 3.693 2.429 ( -2.381 0.000 2.753) 3.640 2.446 ( 3.622 0.000 -9.476) 10.145 2.619 ( -4.999 0.000 2.885) 5.772 2.630 ( -2.970 0.000 -4.766) 5.615 2.673 ( -4.722 0.000 1.436) 4.935 2.717 ( -0.451 0.000 5.972) 5.989 2.757 ( -3.589 0.000 -1.921) 4.071 2.810 ( -1.286 0.000 2.125) 2.484 2.958 ( -7.714 0.000 3.648) 8.533 3.025 ( -1.305 0.000 -0.788) 1.525 3.098 ( 3.317 0.000 -0.824) 3.418 3.122 ( 0.800 0.000 1.081) 1.345 3.178 ( 0.953 0.000 -0.360) 1.018 3.247 ( -5.055 0.000 7.825) 9.316 3.255 ( 3.267 0.000 -0.458) 3.299 3.313 ( -0.133 0.000 -2.101) 2.105 3.366 ( -2.389 0.000 -5.371) 5.879 3.366 ( -0.799 0.000 0.420) 0.902 3.522 ( 1.571 0.000 -6.090) 6.289 3.565 ( 2.964 0.000 1.552) 3.345 3.648 ( -2.029 0.000 2.339) 3.096 3.662 ( 0.509 0.000 -7.564) 7.581 3.720 ( 3.564 0.000 -3.449) 4.959 3.752 ( -2.859 0.000 -1.845) 3.403 3.837 ( 2.000 0.000 2.130) 2.922 3.866 ( -0.506 0.000 3.425) 3.462 3.885 ( 6.009 0.000 -1.214) 6.130 3.890 ( 2.598 0.000 -4.297) 5.022 3.958 ( -2.866 0.000 4.539) 5.368 4.100 ( 2.030 0.000 4.056) 4.536 4.156 ( 1.165 0.000 5.271) 5.398 4.174 ( 1.421 0.000 -3.269) 3.565 4.311 ( -1.321 0.000 -0.200) 1.336 4.415 ( 5.715 0.000 -12.965) 14.169 4.582 ( -2.099 0.000 -7.000) 7.308 4.749 ( -1.420 0.000 0.399) 1.475 4.819 ( -4.648 0.000 2.569) 5.311 4.837 ( 3.194 0.000 1.017) 3.352 4.846 ( -9.337 0.000 -4.768) 10.484 4.909 ( 2.995 0.000 -4.034) 5.024 5.037 ( 2.360 0.000 -3.299) 4.056 5.052 ( -1.393 0.000 -7.683) 7.809 5.209 ( -4.071 0.000 -3.067) 5.098 5.391 ( -5.899 0.000 4.415) 7.368 5.494 ( -7.339 0.000 1.720) 7.538 5.498 ( 4.509 0.000 -1.650) 4.801 5.606 ( -2.162 0.000 -0.136) 2.166 5.714 ( -4.656 0.000 -6.554) 8.039 5.845 ( -4.525 0.000 4.430) 6.333 5.893 ( -3.318 0.000 1.444) 3.618 5.925 ( -0.262 0.000 5.059) 5.065 5.940 ( -3.169 0.000 5.882) 6.681 6.056 ( -0.867 0.000 3.792) 3.890 6.080 ( -1.792 0.000 0.422) 1.841 6.142 ( -2.048 0.000 -6.804) 7.106 6.152 ( 2.817 0.000 -4.443) 5.261 6.301 ( 5.848 0.000 -4.101) 7.142 6.365 ( -5.410 0.000 6.530) 8.480 6.370 ( -3.250 0.000 -7.598) 8.264 6.561 ( 2.999 0.000 -5.924) 6.640 6.719 ( 2.048 0.000 6.457) 6.775 6.854 ( 3.802 0.000 -1.378) 4.044 6.883 ( 2.478 0.000 4.382) 5.034 7.014 ( -0.717 0.000 -4.349) 4.407 7.124 ( -4.320 0.000 4.075) 5.939 7.168 ( -5.140 0.000 -0.036) 5.140 7.269 ( 3.594 0.000 3.185) 4.802 7.278 ( -3.824 0.000 0.237) 3.832 7.330 ( 1.917 0.000 6.846) 7.109 7.377 ( -1.763 0.000 -5.158) 5.451 7.380 ( -0.189 0.000 -5.363) 5.366 7.487 ( 7.741 0.000 1.166) 7.828 7.521 ( 4.262 0.000 0.593) 4.303 7.593 ( -5.778 0.000 -6.627) 8.792 7.764 ( 1.313 0.000 0.465) 1.393 7.833 ( 10.493 0.000 -5.655) 11.920 7.918 ( 0.724 0.000 5.245) 5.294 8.029 ( 2.278 0.000 -1.486) 2.719 8.086 ( 1.393 0.000 0.936) 1.678 8.212 ( -6.070 0.000 3.113) 6.822 8.457 ( 11.151 0.000 0.167) 11.153 8.531 ( -0.371 0.000 0.414) 0.556 8.665 ( 8.900 0.000 -0.125) 8.901 8.973 ( 2.594 0.000 -5.927) 6.469 9.007 ( 2.689 0.000 3.470) 4.390 9.064 ( 5.788 0.000 -6.851) 8.969 9.421 ( 1.000 0.000 0.885) 1.335 9.472 ( -2.393 0.000 9.783) 10.071 9.561 ( -1.820 0.000 -6.897) 7.134 9.812 ( -3.138 0.000 0.882) 3.260 9.925 ( 0.830 0.000 0.646) 1.052 10.122 ( 0.818 0.000 -7.239) 7.285 10.222 ( 1.642 0.000 4.196) 4.506 10.227 ( -0.200 0.000 4.176) 4.181 11.813 ( 0.377 0.000 2.477) 2.506 11.912 ( -1.712 0.000 -1.831) 2.507 11.996 ( -0.866 0.000 1.730) 1.935 12.032 ( -4.832 0.000 0.715) 4.884 13.631 ( 3.070 0.000 2.106) 3.723 13.863 ( 5.213 0.000 -2.389) 5.734 14.218 ( 1.578 0.000 2.566) 3.012 14.382 ( 0.738 0.000 -0.843) 1.120 14.399 ( 2.290 0.000 -2.864) 3.667 14.419 ( -3.941 0.000 -4.027) 5.635 14.715 ( -0.329 0.000 -0.254) 0.416 14.719 ( -0.683 0.000 0.935) 1.157 14.781 ( -3.259 0.000 5.177) 6.118 14.893 ( 5.066 0.000 0.810) 5.131 14.896 ( 1.917 0.000 -2.222) 2.934 14.970 ( 1.407 0.000 4.179) 4.410 14.974 ( 0.064 0.000 3.946) 3.947 15.188 ( -4.028 0.000 -7.424) 8.446 15.281 ( -2.426 0.000 2.673) 3.609 15.442 ( -2.626 0.000 -1.823) 3.197 15.499 ( -6.296 0.000 0.143) 6.297 15.679 ( 4.335 0.000 1.565) 4.609 15.692 ( -0.068 0.000 -1.659) 1.660 15.897 ( 9.437 0.000 0.905) 9.480 16.373 ( -8.737 0.000 -2.809) 9.178 16.392 ( -0.007 0.000 3.692) 3.692 16.642 ( -1.329 0.000 -2.272) 2.632 16.688 ( 4.755 0.000 -0.921) 4.844 17.094 ( -6.166 0.000 1.335) 6.309 17.145 ( 0.627 0.000 -0.191) 0.656 17.145 ( 0.566 0.000 -0.774) 0.959 17.270 ( 1.434 0.000 2.498) 2.880 17.376 ( -13.705 0.000 6.595) 15.209 17.420 ( -2.120 0.000 1.207) 2.439 17.527 ( 3.186 0.000 -5.350) 6.227 17.662 ( -3.166 0.000 1.497) 3.502 17.785 ( -0.399 0.000 3.150) 3.175 17.958 ( 3.725 0.000 6.461) 7.458 18.132 ( 3.176 0.000 -1.809) 3.655 18.352 ( 0.936 0.000 -2.606) 2.770 18.511 ( 3.764 0.000 0.867) 3.863 18.583 ( -1.923 0.000 -6.322) 6.608 19.127 ( -1.567 0.000 1.625) 2.257 19.147 ( -0.893 0.000 2.206) 2.380 19.377 ( -0.515 0.000 2.343) 2.399 19.482 ( 0.869 0.000 -0.707) 1.120 19.863 ( 3.761 0.000 3.533) 5.160 19.918 ( -4.689 0.000 -3.211) 5.683 19.951 ( -0.811 0.000 0.275) 0.857 20.018 ( -0.287 0.000 -2.013) 2.033 20.593 ( 3.424 0.000 5.528) 6.503 20.605 ( -8.371 0.000 -5.206) 9.858 20.974 ( -15.053 0.000 -4.509) 15.714 21.297 ( -7.569 0.000 1.846) 7.791 21.470 ( -2.646 0.000 0.195) 2.653 21.571 ( -0.635 0.000 1.695) 1.810 21.655 ( 1.930 0.000 1.629) 2.525 21.733 ( -0.326 0.000 -2.804) 2.822 21.821 ( 1.512 0.000 0.816) 1.719 21.902 ( -1.000 0.000 0.003) 1.000 22.132 ( 4.176 0.000 1.178) 4.339 22.293 ( 1.412 0.000 -1.503) 2.062 22.500 ( 16.142 0.000 -5.657) 17.105 22.505 ( 7.279 0.000 0.683) 7.311 ======================= Grid point 47 (18/78) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 2.161 0.000 5.760) 6.152 1.316 ( 19.973 0.000 9.231) 22.003 1.435 ( 1.406 0.000 -1.978) 2.427 1.819 ( 12.059 0.000 4.627) 12.916 1.896 ( 16.156 0.000 -3.730) 16.581 1.949 ( 5.905 0.000 -10.242) 11.823 2.079 ( -5.390 0.000 -3.980) 6.700 2.202 ( -2.353 0.000 11.036) 11.284 2.267 ( -2.577 0.000 -2.999) 3.954 2.327 ( -6.788 0.000 -2.886) 7.376 2.418 ( -4.183 0.000 2.929) 5.107 2.509 ( -1.548 0.000 -2.668) 3.085 2.620 ( -3.615 0.000 3.395) 4.959 2.630 ( -0.290 0.000 15.809) 15.812 2.676 ( -4.740 0.000 5.505) 7.264 2.682 ( -8.818 0.000 5.432) 10.356 2.738 ( 0.616 0.000 8.090) 8.113 2.832 ( -0.412 0.000 6.290) 6.303 2.948 ( 2.572 0.000 -1.661) 3.062 3.015 ( -0.479 0.000 -0.893) 1.013 3.052 ( 1.158 0.000 -2.021) 2.329 3.064 ( -0.482 0.000 -1.451) 1.528 3.214 ( -5.366 0.000 -7.920) 9.567 3.220 ( 1.772 0.000 1.229) 2.157 3.222 ( -8.926 0.000 3.826) 9.711 3.333 ( 2.348 0.000 1.628) 2.857 3.408 ( -1.277 0.000 -8.730) 8.823 3.443 ( 1.059 0.000 2.775) 2.970 3.472 ( 8.000 0.000 6.035) 10.022 3.607 ( 0.302 0.000 1.637) 1.665 3.617 ( 6.364 0.000 -2.330) 6.777 3.641 ( -1.891 0.000 -1.574) 2.460 3.677 ( -1.668 0.000 1.224) 2.069 3.768 ( 5.374 0.000 -1.523) 5.586 3.808 ( 1.095 0.000 -11.193) 11.247 3.824 ( 2.254 0.000 -4.390) 4.935 3.915 ( 1.544 0.000 -5.449) 5.663 3.925 ( 2.297 0.000 1.530) 2.760 4.051 ( 2.663 0.000 7.744) 8.189 4.066 ( -0.558 0.000 -0.491) 0.743 4.197 ( 2.417 0.000 4.082) 4.744 4.204 ( -1.733 0.000 1.563) 2.334 4.294 ( -0.549 0.000 -3.392) 3.437 4.406 ( 3.633 0.000 -6.193) 7.180 4.544 ( -4.483 0.000 -0.336) 4.495 4.661 ( -0.940 0.000 6.213) 6.284 4.748 ( -3.061 0.000 -5.318) 6.136 4.839 ( 3.767 0.000 1.822) 4.185 4.855 ( 6.170 0.000 -8.837) 10.778 4.873 ( -4.729 0.000 -0.335) 4.740 4.950 ( -0.017 0.000 1.156) 1.156 5.051 ( 2.124 0.000 -0.143) 2.129 5.162 ( -5.244 0.000 3.325) 6.209 5.316 ( -12.423 0.000 -3.994) 13.050 5.404 ( -3.167 0.000 6.916) 7.607 5.486 ( -1.360 0.000 -0.535) 1.461 5.599 ( -0.141 0.000 2.624) 2.628 5.662 ( 0.741 0.000 -1.067) 1.300 5.748 ( -6.128 0.000 -0.472) 6.146 5.895 ( -4.053 0.000 -2.738) 4.891 5.917 ( -0.664 0.000 1.802) 1.920 5.950 ( -7.583 0.000 5.884) 9.598 5.998 ( -5.023 0.000 -5.427) 7.395 6.033 ( -2.146 0.000 -4.680) 5.148 6.088 ( 0.470 0.000 -2.142) 2.193 6.124 ( 2.377 0.000 4.539) 5.124 6.189 ( -5.944 0.000 -2.551) 6.469 6.329 ( 0.366 0.000 2.053) 2.086 6.465 ( 2.677 0.000 5.382) 6.010 6.540 ( 5.966 0.000 -7.488) 9.574 6.777 ( -3.068 0.000 -1.792) 3.554 6.862 ( -1.165 0.000 5.064) 5.196 6.867 ( -2.765 0.000 -8.714) 9.142 6.972 ( 0.360 0.000 -1.575) 1.616 7.070 ( -5.715 0.000 2.068) 6.077 7.101 ( -4.546 0.000 -2.938) 5.412 7.260 ( -1.092 0.000 -4.631) 4.758 7.265 ( 1.713 0.000 0.568) 1.805 7.299 ( 1.509 0.000 -1.967) 2.479 7.343 ( 1.635 0.000 -1.986) 2.572 7.466 ( -1.730 0.000 -0.467) 1.792 7.483 ( 4.910 0.000 6.342) 8.021 7.612 ( 2.645 0.000 3.042) 4.031 7.640 ( 5.129 0.000 3.090) 5.988 7.798 ( 2.969 0.000 -0.983) 3.128 7.869 ( 5.177 0.000 -6.331) 8.178 8.008 ( -1.788 0.000 7.383) 7.597 8.009 ( -0.843 0.000 -3.021) 3.137 8.100 ( 2.836 0.000 -1.658) 3.285 8.227 ( 1.986 0.000 2.210) 2.971 8.552 ( 0.001 0.000 2.657) 2.657 8.584 ( 4.715 0.000 -0.345) 4.728 8.853 ( 11.617 0.000 2.848) 11.960 8.931 ( 2.267 0.000 -5.167) 5.643 9.053 ( 7.782 0.000 -7.365) 10.715 9.083 ( 3.068 0.000 0.603) 3.127 9.482 ( 0.728 0.000 -2.983) 3.070 9.567 ( 8.004 0.000 5.897) 9.941 9.568 ( -2.755 0.000 9.598) 9.986 9.764 ( -3.806 0.000 1.753) 4.191 9.948 ( 0.777 0.000 0.717) 1.057 10.023 ( 0.295 0.000 -8.441) 8.446 10.252 ( -1.429 0.000 1.079) 1.790 10.280 ( 0.963 0.000 1.223) 1.557 11.842 ( -0.801 0.000 1.939) 2.098 11.854 ( -1.809 0.000 -2.330) 2.950 11.970 ( -4.363 0.000 0.655) 4.411 11.994 ( -1.561 0.000 0.810) 1.759 13.716 ( 3.475 0.000 2.433) 4.242 13.943 ( 8.213 0.000 -0.975) 8.271 14.301 ( -3.675 0.000 -3.895) 5.356 14.303 ( 3.864 0.000 3.235) 5.039 14.375 ( -1.518 0.000 0.008) 1.518 14.414 ( 3.604 0.000 -1.602) 3.944 14.709 ( -0.823 0.000 0.751) 1.114 14.714 ( -0.592 0.000 -0.047) 0.594 14.798 ( -3.268 0.000 4.626) 5.664 14.835 ( -1.577 0.000 -4.928) 5.174 14.942 ( 2.291 0.000 -0.872) 2.452 15.013 ( -2.888 0.000 -3.553) 4.578 15.017 ( -2.390 0.000 1.833) 3.012 15.098 ( 3.431 0.000 1.373) 3.696 15.282 ( -2.598 0.000 2.391) 3.531 15.352 ( -6.187 0.000 -0.684) 6.225 15.444 ( 0.612 0.000 0.335) 0.698 15.677 ( 1.395 0.000 -1.941) 2.390 15.778 ( 4.607 0.000 1.841) 4.961 16.009 ( 5.998 0.000 -2.426) 6.470 16.201 ( -8.563 0.000 -2.811) 9.012 16.440 ( -2.906 0.000 8.090) 8.596 16.576 ( -1.567 0.000 -4.376) 4.649 16.732 ( 2.878 0.000 -0.920) 3.022 17.040 ( -3.815 0.000 2.466) 4.543 17.142 ( -0.416 0.000 0.206) 0.464 17.166 ( 1.841 0.000 0.036) 1.841 17.307 ( -4.216 0.000 1.403) 4.443 17.326 ( 0.860 0.000 3.077) 3.195 17.409 ( -1.958 0.000 2.105) 2.875 17.484 ( 1.144 0.000 -6.246) 6.349 17.615 ( -4.841 0.000 1.743) 5.146 17.851 ( 1.339 0.000 4.713) 4.899 18.100 ( 6.149 0.000 0.360) 6.160 18.163 ( 0.152 0.000 4.432) 4.435 18.296 ( -0.501 0.000 -6.041) 6.062 18.512 ( 0.818 0.000 -2.049) 2.206 18.597 ( 5.599 0.000 0.927) 5.675 19.106 ( -5.177 0.000 1.031) 5.279 19.195 ( 0.369 0.000 4.431) 4.446 19.408 ( 2.383 0.000 1.198) 2.668 19.480 ( 2.484 0.000 -1.299) 2.803 19.811 ( -3.269 0.000 -2.478) 4.102 19.953 ( -1.238 0.000 0.930) 1.549 19.961 ( 1.105 0.000 0.648) 1.281 20.014 ( 3.809 0.000 1.557) 4.114 20.400 ( -9.339 0.000 -4.284) 10.275 20.625 ( -17.016 0.000 -6.240) 18.124 20.704 ( 1.178 0.000 2.896) 3.126 21.212 ( -6.253 0.000 1.851) 6.521 21.419 ( -3.520 0.000 -0.444) 3.548 21.559 ( -3.475 0.000 1.626) 3.837 21.686 ( 0.507 0.000 -3.169) 3.209 21.703 ( 1.509 0.000 1.391) 2.052 21.857 ( 2.142 0.000 0.251) 2.157 21.920 ( 2.458 0.000 -0.518) 2.512 22.224 ( 4.786 0.000 1.157) 4.924 22.295 ( 1.503 0.000 -1.403) 2.056 22.618 ( 8.749 0.000 -4.091) 9.658 22.659 ( 8.571 0.000 2.617) 8.962 ======================= Grid point 48 (19/78) ======================= q-point: ( 0.38 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.246 0.000 1.668) 4.562 1.481 ( 9.102 0.000 -0.331) 9.108 1.642 ( 10.501 0.000 1.583) 10.620 1.855 ( -11.753 0.000 -3.437) 12.245 1.879 ( 10.527 0.000 -18.730) 21.485 1.978 ( 5.588 0.000 -6.501) 8.572 2.110 ( 9.616 0.000 -3.369) 10.189 2.191 ( 4.958 0.000 3.497) 6.067 2.244 ( 0.150 0.000 1.482) 1.489 2.333 ( -6.510 0.000 3.818) 7.547 2.408 ( -1.304 0.000 10.033) 10.117 2.461 ( -1.655 0.000 -2.356) 2.879 2.517 ( -10.639 0.000 3.162) 11.099 2.559 ( -8.069 0.000 1.889) 8.287 2.684 ( -2.905 0.000 4.361) 5.240 2.696 ( -2.479 0.000 0.237) 2.490 2.828 ( -6.699 0.000 -4.514) 8.078 2.858 ( 1.304 0.000 -4.054) 4.259 2.965 ( -1.924 0.000 2.314) 3.009 2.985 ( 4.756 0.000 -3.279) 5.777 3.000 ( -1.218 0.000 -1.586) 1.999 3.112 ( -6.508 0.000 1.399) 6.657 3.150 ( 6.804 0.000 4.362) 8.082 3.235 ( 0.475 0.000 -4.070) 4.097 3.256 ( 1.519 0.000 9.117) 9.242 3.320 ( 1.659 0.000 -3.482) 3.857 3.323 ( -3.014 0.000 -2.244) 3.757 3.433 ( 2.689 0.000 -4.607) 5.334 3.525 ( -1.621 0.000 -2.445) 2.933 3.560 ( 2.012 0.000 -1.128) 2.306 3.598 ( -3.706 0.000 0.647) 3.762 3.699 ( -2.617 0.000 0.086) 2.618 3.724 ( 0.411 0.000 -3.218) 3.244 3.735 ( 0.783 0.000 -0.318) 0.845 3.792 ( 6.400 0.000 0.111) 6.401 3.880 ( 5.817 0.000 -1.520) 6.013 3.962 ( 8.166 0.000 4.097) 9.136 4.023 ( 4.229 0.000 5.029) 6.571 4.048 ( -1.442 0.000 -4.961) 5.167 4.103 ( -3.270 0.000 -1.885) 3.774 4.176 ( -0.033 0.000 -0.923) 0.924 4.256 ( 2.363 0.000 -0.083) 2.364 4.266 ( 1.438 0.000 1.368) 1.984 4.375 ( 0.013 0.000 -4.943) 4.943 4.469 ( 0.489 0.000 -1.416) 1.498 4.564 ( -8.297 0.000 -6.552) 10.572 4.714 ( -1.112 0.000 -1.911) 2.211 4.779 ( -2.339 0.000 -0.589) 2.412 4.913 ( 6.538 0.000 -5.190) 8.348 4.941 ( 0.508 0.000 2.456) 2.508 5.057 ( 4.893 0.000 2.600) 5.541 5.059 ( -4.154 0.000 2.454) 4.824 5.116 ( -2.065 0.000 5.382) 5.764 5.127 ( -4.066 0.000 0.136) 4.068 5.477 ( 0.677 0.000 7.089) 7.122 5.484 ( -0.778 0.000 4.197) 4.269 5.631 ( -0.847 0.000 1.822) 2.010 5.634 ( -5.295 0.000 -3.978) 6.623 5.691 ( -7.354 0.000 1.196) 7.450 5.731 ( -1.254 0.000 -0.133) 1.261 5.830 ( -5.782 0.000 1.284) 5.923 5.853 ( -3.771 0.000 -1.874) 4.211 5.946 ( 0.005 0.000 -0.075) 0.076 6.010 ( -3.144 0.000 5.875) 6.663 6.094 ( -0.762 0.000 2.673) 2.780 6.144 ( -2.069 0.000 1.670) 2.659 6.295 ( 3.792 0.000 8.369) 9.188 6.349 ( -1.681 0.000 0.692) 1.818 6.531 ( 0.414 0.000 1.925) 1.969 6.557 ( 7.640 0.000 -5.237) 9.262 6.669 ( -4.292 0.000 -3.301) 5.414 6.728 ( 0.987 0.000 -4.965) 5.062 6.873 ( -0.045 0.000 -0.892) 0.893 6.929 ( 1.486 0.000 -5.707) 5.897 6.984 ( -5.391 0.000 -0.844) 5.457 7.041 ( -3.343 0.000 2.345) 4.083 7.218 ( 1.381 0.000 -1.122) 1.779 7.299 ( 0.782 0.000 -0.544) 0.952 7.310 ( 0.802 0.000 1.554) 1.748 7.353 ( 1.479 0.000 -0.744) 1.655 7.480 ( 1.079 0.000 -0.916) 1.416 7.621 ( 2.735 0.000 4.671) 5.413 7.687 ( 0.543 0.000 4.623) 4.655 7.694 ( -0.719 0.000 0.340) 0.795 7.822 ( 3.369 0.000 -2.870) 4.426 7.853 ( 2.826 0.000 -4.159) 5.029 7.967 ( 0.165 0.000 -0.700) 0.719 8.012 ( -6.135 0.000 4.522) 7.621 8.168 ( 4.717 0.000 -0.039) 4.718 8.279 ( 2.914 0.000 -1.137) 3.128 8.584 ( -0.977 0.000 2.648) 2.823 8.607 ( 1.186 0.000 -1.498) 1.911 8.883 ( -1.259 0.000 -1.460) 1.927 9.043 ( 6.191 0.000 2.861) 6.820 9.106 ( 1.757 0.000 -2.672) 3.198 9.173 ( 15.668 0.000 -4.357) 16.263 9.495 ( 0.827 0.000 2.467) 2.602 9.615 ( -7.784 0.000 2.693) 8.237 9.619 ( -3.787 0.000 4.071) 5.560 9.870 ( 8.264 0.000 1.915) 8.482 9.915 ( 0.654 0.000 -5.149) 5.191 9.961 ( 0.463 0.000 -0.559) 0.726 10.213 ( -2.399 0.000 -1.968) 3.103 10.293 ( 0.385 0.000 -0.032) 0.387 11.807 ( -0.356 0.000 -1.764) 1.800 11.839 ( -1.517 0.000 0.469) 1.588 11.920 ( -2.838 0.000 0.480) 2.878 11.978 ( -0.954 0.000 -0.040) 0.955 13.791 ( 1.206 0.000 3.055) 3.285 14.088 ( 8.433 0.000 2.534) 8.806 14.223 ( -1.137 0.000 -1.507) 1.888 14.322 ( -4.733 0.000 0.458) 4.755 14.405 ( 3.050 0.000 2.171) 3.744 14.458 ( 3.096 0.000 -0.344) 3.115 14.702 ( 0.295 0.000 -1.282) 1.315 14.708 ( -0.647 0.000 -0.187) 0.673 14.750 ( 0.011 0.000 -3.468) 3.468 14.790 ( -3.559 0.000 1.146) 3.739 14.917 ( -0.533 0.000 -6.012) 6.036 14.941 ( -0.475 0.000 -2.093) 2.146 14.992 ( -2.066 0.000 4.027) 4.526 15.161 ( 2.182 0.000 -0.276) 2.199 15.262 ( -3.585 0.000 -0.805) 3.674 15.267 ( -2.396 0.000 1.285) 2.719 15.501 ( 2.357 0.000 1.632) 2.867 15.696 ( 2.981 0.000 0.067) 2.982 15.848 ( 2.638 0.000 -0.662) 2.720 16.025 ( 3.272 0.000 -4.446) 5.520 16.043 ( -5.884 0.000 -2.983) 6.597 16.449 ( -2.893 0.000 -5.447) 6.167 16.550 ( -1.267 0.000 8.471) 8.565 16.762 ( 1.555 0.000 0.558) 1.652 17.033 ( -1.769 0.000 2.265) 2.874 17.137 ( -1.591 0.000 1.378) 2.105 17.190 ( 1.535 0.000 -0.752) 1.709 17.267 ( -0.763 0.000 -1.429) 1.620 17.361 ( -1.063 0.000 -0.003) 1.063 17.416 ( -2.026 0.000 3.362) 3.925 17.421 ( 2.332 0.000 -4.032) 4.658 17.577 ( -3.455 0.000 2.377) 4.194 17.913 ( -0.937 0.000 2.225) 2.414 18.110 ( 3.564 0.000 -7.328) 8.149 18.231 ( 0.963 0.000 -1.843) 2.080 18.274 ( -0.950 0.000 9.490) 9.537 18.527 ( 1.814 0.000 -0.025) 1.814 18.704 ( 6.627 0.000 0.591) 6.653 18.991 ( -8.581 0.000 -0.789) 8.617 19.221 ( -2.448 0.000 0.705) 2.547 19.486 ( 4.390 0.000 1.255) 4.566 19.569 ( 6.779 0.000 2.687) 7.293 19.747 ( -2.779 0.000 -0.321) 2.797 19.882 ( -4.591 0.000 -2.300) 5.135 20.011 ( 3.524 0.000 1.508) 3.833 20.123 ( 4.696 0.000 3.662) 5.955 20.221 ( -7.435 0.000 -2.051) 7.713 20.303 ( -10.550 0.000 -6.271) 12.273 20.744 ( -0.685 0.000 0.989) 1.203 21.149 ( -3.451 0.000 -0.322) 3.465 21.366 ( -2.092 0.000 -0.309) 2.114 21.515 ( -2.367 0.000 -0.961) 2.554 21.677 ( 1.067 0.000 -0.135) 1.076 21.735 ( 0.415 0.000 0.921) 1.010 21.890 ( 1.631 0.000 0.250) 1.650 21.949 ( 1.868 0.000 -0.438) 1.919 22.294 ( 2.445 0.000 0.650) 2.530 22.303 ( 1.422 0.000 -0.705) 1.587 22.682 ( 4.879 0.000 -1.574) 5.126 22.796 ( 3.607 0.000 2.396) 4.330 ======================= Grid point 49 (20/78) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -4.335 0.000 1.989) 4.770 1.582 ( -4.033 0.000 -17.195) 17.661 1.683 ( -1.079 0.000 4.345) 4.477 1.796 ( 13.471 0.000 8.558) 15.959 1.843 ( 12.813 0.000 -13.174) 18.378 1.949 ( 2.364 0.000 -4.081) 4.716 2.066 ( 0.837 0.000 -8.917) 8.956 2.257 ( -9.704 0.000 1.934) 9.895 2.274 ( -2.984 0.000 -0.443) 3.017 2.295 ( 1.784 0.000 0.095) 1.787 2.398 ( -2.521 0.000 -8.582) 8.945 2.411 ( -3.687 0.000 -2.403) 4.401 2.506 ( 4.492 0.000 2.248) 5.023 2.541 ( -4.940 0.000 9.947) 11.106 2.622 ( -3.962 0.000 -1.041) 4.097 2.649 ( -0.975 0.000 -2.870) 3.031 2.680 ( -4.900 0.000 4.924) 6.946 2.796 ( 0.480 0.000 -7.656) 7.671 2.983 ( 1.635 0.000 2.336) 2.852 2.992 ( 2.370 0.000 -2.248) 3.267 3.030 ( 0.700 0.000 1.378) 1.546 3.108 ( 2.039 0.000 -3.979) 4.471 3.116 ( -2.318 0.000 -7.901) 8.234 3.235 ( -0.605 0.000 -1.771) 1.872 3.282 ( -6.768 0.000 7.981) 10.465 3.323 ( 2.050 0.000 4.813) 5.232 3.351 ( 5.855 0.000 0.425) 5.870 3.455 ( 3.443 0.000 -0.335) 3.460 3.522 ( 0.677 0.000 0.613) 0.913 3.548 ( -1.151 0.000 -1.296) 1.734 3.575 ( -3.613 0.000 -0.297) 3.625 3.595 ( -0.203 0.000 -5.333) 5.337 3.707 ( 1.179 0.000 -5.489) 5.614 3.746 ( 5.699 0.000 -0.142) 5.700 3.821 ( -2.164 0.000 -4.985) 5.434 3.906 ( -0.021 0.000 0.364) 0.364 3.942 ( -1.035 0.000 -5.946) 6.035 3.982 ( -6.011 0.000 -5.486) 8.138 4.103 ( 1.337 0.000 -4.178) 4.386 4.155 ( 8.039 0.000 0.558) 8.058 4.157 ( -1.182 0.000 3.113) 3.330 4.266 ( -3.932 0.000 -0.385) 3.950 4.267 ( -4.783 0.000 2.012) 5.189 4.351 ( 8.788 0.000 -5.620) 10.431 4.489 ( 10.093 0.000 -0.162) 10.094 4.489 ( 2.832 0.000 0.249) 2.843 4.628 ( -2.075 0.000 -3.634) 4.185 4.784 ( 0.692 0.000 1.056) 1.263 4.883 ( 2.026 0.000 -6.783) 7.079 4.919 ( -2.196 0.000 0.621) 2.282 4.993 ( -2.653 0.000 -1.383) 2.992 5.018 ( 0.268 0.000 -2.684) 2.697 5.166 ( -1.523 0.000 6.647) 6.819 5.260 ( -0.488 0.000 4.279) 4.307 5.339 ( -10.601 0.000 -2.075) 10.803 5.523 ( -3.836 0.000 -0.644) 3.890 5.660 ( -0.038 0.000 6.684) 6.684 5.695 ( -2.988 0.000 1.773) 3.475 5.716 ( 0.738 0.000 0.732) 1.039 5.744 ( 6.816 0.000 11.721) 13.559 5.839 ( 1.772 0.000 0.769) 1.932 5.840 ( 0.433 0.000 6.020) 6.036 5.985 ( 3.896 0.000 2.886) 4.849 6.070 ( -3.176 0.000 7.393) 8.046 6.100 ( -5.319 0.000 1.932) 5.659 6.152 ( 0.581 0.000 8.687) 8.707 6.312 ( -1.176 0.000 -0.959) 1.517 6.333 ( -7.625 0.000 3.208) 8.272 6.521 ( -0.639 0.000 -0.635) 0.901 6.630 ( 6.657 0.000 -0.791) 6.704 6.706 ( 3.691 0.000 4.691) 5.969 6.766 ( 5.308 0.000 -1.516) 5.520 6.866 ( -0.175 0.000 -3.068) 3.073 6.898 ( 3.801 0.000 -3.060) 4.880 6.906 ( 0.127 0.000 -0.740) 0.751 7.030 ( -1.680 0.000 2.386) 2.918 7.286 ( 4.258 0.000 4.914) 6.502 7.303 ( -1.304 0.000 1.286) 1.831 7.333 ( -0.581 0.000 2.405) 2.474 7.362 ( 2.524 0.000 -2.289) 3.407 7.413 ( -2.319 0.000 -6.566) 6.963 7.622 ( -5.441 0.000 -1.354) 5.607 7.706 ( 0.145 0.000 2.086) 2.091 7.733 ( -3.261 0.000 3.694) 4.927 7.824 ( 3.711 0.000 -4.546) 5.869 7.872 ( 3.759 0.000 -0.916) 3.869 7.969 ( -6.418 0.000 3.611) 7.364 8.006 ( 2.247 0.000 3.224) 3.929 8.196 ( -0.328 0.000 -0.910) 0.967 8.265 ( -0.435 0.000 -4.331) 4.353 8.590 ( -2.258 0.000 2.245) 3.184 8.608 ( 1.603 0.000 -0.688) 1.745 8.889 ( 2.461 0.000 1.072) 2.684 9.024 ( -3.127 0.000 -5.256) 6.116 9.149 ( 1.917 0.000 1.578) 2.483 9.354 ( 12.642 0.000 -2.788) 12.946 9.521 ( -9.262 0.000 4.994) 10.522 9.527 ( -5.422 0.000 -3.513) 6.461 9.558 ( -2.010 0.000 4.769) 5.176 9.762 ( -1.662 0.000 -10.228) 10.363 9.947 ( 0.130 0.000 -1.878) 1.883 10.076 ( 4.228 0.000 6.541) 7.789 10.144 ( 0.712 0.000 -5.278) 5.326 10.299 ( -0.235 0.000 0.025) 0.236 11.801 ( 1.808 0.000 -0.938) 2.037 11.818 ( -0.616 0.000 -0.778) 0.993 11.899 ( -0.841 0.000 0.609) 1.038 11.966 ( -0.199 0.000 -0.508) 0.545 13.829 ( -2.304 0.000 4.070) 4.677 14.182 ( -3.787 0.000 1.744) 4.169 14.237 ( 2.349 0.000 1.982) 3.073 14.301 ( 1.445 0.000 3.074) 3.396 14.429 ( -2.700 0.000 0.363) 2.724 14.477 ( 0.350 0.000 -0.954) 1.016 14.673 ( 0.304 0.000 -2.059) 2.081 14.694 ( 1.146 0.000 -1.585) 1.956 14.717 ( -2.165 0.000 -3.287) 3.936 14.789 ( 4.375 0.000 1.801) 4.731 14.865 ( 2.790 0.000 -3.424) 4.417 14.942 ( 2.212 0.000 -0.034) 2.213 15.029 ( -0.150 0.000 3.126) 3.130 15.143 ( -1.292 0.000 -3.578) 3.804 15.227 ( 0.318 0.000 -0.742) 0.807 15.249 ( -0.967 0.000 0.180) 0.984 15.509 ( -2.101 0.000 -0.687) 2.210 15.738 ( -0.072 0.000 1.623) 1.625 15.817 ( -0.786 0.000 -5.722) 5.776 16.000 ( 3.983 0.000 0.196) 3.988 16.029 ( 4.256 0.000 -3.565) 5.552 16.296 ( -3.879 0.000 -8.903) 9.711 16.652 ( -1.498 0.000 8.457) 8.588 16.795 ( 0.230 0.000 2.103) 2.116 17.035 ( -1.899 0.000 2.048) 2.793 17.133 ( -0.402 0.000 0.400) 0.567 17.186 ( 0.255 0.000 -1.862) 1.879 17.251 ( -0.454 0.000 0.702) 0.836 17.311 ( 0.025 0.000 -3.784) 3.784 17.433 ( -1.646 0.000 3.212) 3.609 17.448 ( 3.402 0.000 -0.842) 3.505 17.579 ( -1.623 0.000 3.889) 4.214 17.865 ( -2.985 0.000 -3.503) 4.602 18.035 ( 0.849 0.000 -8.547) 8.589 18.296 ( 3.380 0.000 5.104) 6.122 18.352 ( -3.820 0.000 7.283) 8.224 18.551 ( 0.427 0.000 1.012) 1.098 18.762 ( -1.810 0.000 -2.317) 2.940 18.904 ( 1.769 0.000 0.952) 2.008 19.156 ( -1.987 0.000 -4.159) 4.609 19.527 ( -1.605 0.000 0.325) 1.638 19.613 ( -3.827 0.000 -1.070) 3.974 19.735 ( 1.000 0.000 1.635) 1.917 19.862 ( 3.433 0.000 1.254) 3.655 20.042 ( -2.456 0.000 -0.618) 2.532 20.133 ( -4.923 0.000 -2.606) 5.571 20.197 ( 4.317 0.000 4.320) 6.107 20.296 ( 9.091 0.000 6.928) 11.430 20.708 ( -1.880 0.000 -2.689) 3.281 21.090 ( -1.049 0.000 -3.632) 3.781 21.356 ( 0.530 0.000 0.588) 0.792 21.473 ( -0.034 0.000 -2.372) 2.372 21.707 ( 1.052 0.000 1.887) 2.161 21.738 ( -1.000 0.000 0.312) 1.047 21.910 ( -0.094 0.000 0.607) 0.614 21.962 ( 0.397 0.000 -0.307) 0.502 22.313 ( -0.691 0.000 0.107) 0.700 22.318 ( 0.837 0.000 0.160) 0.852 22.737 ( 2.791 0.000 1.233) 3.051 22.817 ( -2.863 0.000 -0.015) 2.863 ======================= Grid point 50 (21/78) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -14.511 0.000 -5.226) 15.423 1.189 ( -10.388 0.000 -22.279) 24.582 1.723 ( -10.111 0.000 12.199) 15.845 1.810 ( -1.966 0.000 -9.966) 10.158 1.903 ( -1.835 0.000 -2.787) 3.337 1.905 ( 5.990 0.000 -18.313) 19.268 2.098 ( -15.062 0.000 3.164) 15.391 2.173 ( -2.943 0.000 0.834) 3.059 2.206 ( -4.447 0.000 -14.246) 14.924 2.227 ( 11.994 0.000 10.726) 16.091 2.286 ( 4.916 0.000 -8.501) 9.821 2.301 ( -1.856 0.000 -1.644) 2.479 2.508 ( -2.506 0.000 0.731) 2.611 2.592 ( 1.309 0.000 1.164) 1.751 2.661 ( 5.007 0.000 3.378) 6.040 2.670 ( -3.489 0.000 0.823) 3.585 2.710 ( 0.061 0.000 6.718) 6.718 2.769 ( 3.332 0.000 5.398) 6.344 2.911 ( -4.921 0.000 -12.536) 13.468 2.982 ( 0.880 0.000 -8.345) 8.391 3.015 ( 0.932 0.000 -2.650) 2.809 3.040 ( 3.338 0.000 1.763) 3.775 3.109 ( 3.694 0.000 6.008) 7.053 3.216 ( -0.856 0.000 -3.861) 3.955 3.344 ( 0.008 0.000 0.788) 0.788 3.360 ( -2.692 0.000 2.775) 3.866 3.413 ( -1.963 0.000 -0.811) 2.124 3.429 ( -3.617 0.000 -0.398) 3.639 3.518 ( 3.483 0.000 1.356) 3.738 3.582 ( 2.758 0.000 7.493) 7.985 3.596 ( 3.105 0.000 2.319) 3.875 3.615 ( 0.223 0.000 1.219) 1.239 3.654 ( 4.804 0.000 -3.287) 5.821 3.702 ( -1.725 0.000 -5.675) 5.932 3.796 ( 1.753 0.000 -5.066) 5.361 3.823 ( -1.249 0.000 -8.258) 8.352 3.865 ( -1.949 0.000 -1.638) 2.546 3.905 ( 8.011 0.000 -8.699) 11.826 4.108 ( 0.863 0.000 1.624) 1.839 4.118 ( -2.179 0.000 -4.474) 4.976 4.122 ( -0.369 0.000 -2.867) 2.891 4.159 ( -7.453 0.000 -1.137) 7.540 4.259 ( -0.635 0.000 -2.250) 2.338 4.491 ( 10.884 0.000 0.102) 10.884 4.575 ( 6.666 0.000 1.865) 6.922 4.608 ( 0.144 0.000 4.890) 4.892 4.670 ( 7.866 0.000 -6.264) 10.056 4.822 ( 0.414 0.000 0.098) 0.426 4.878 ( 8.832 0.000 3.242) 9.408 4.879 ( 0.103 0.000 -0.646) 0.654 5.002 ( 0.578 0.000 -2.971) 3.027 5.033 ( 3.106 0.000 1.923) 3.654 5.197 ( -1.568 0.000 2.840) 3.245 5.241 ( -3.501 0.000 4.979) 6.087 5.280 ( -0.069 0.000 3.180) 3.181 5.434 ( 0.110 0.000 -4.257) 4.258 5.668 ( -5.141 0.000 4.629) 6.918 5.728 ( -1.076 0.000 3.683) 3.837 5.793 ( 1.551 0.000 6.825) 6.999 5.873 ( -0.329 0.000 1.003) 1.055 5.890 ( 1.309 0.000 1.637) 2.095 5.898 ( -0.652 0.000 1.035) 1.223 6.010 ( 1.058 0.000 -2.223) 2.462 6.068 ( -2.606 0.000 0.371) 2.632 6.239 ( -0.680 0.000 9.752) 9.776 6.263 ( -3.070 0.000 7.853) 8.432 6.268 ( -2.290 0.000 3.347) 4.055 6.372 ( 3.004 0.000 11.834) 12.209 6.516 ( -1.919 0.000 1.586) 2.490 6.690 ( 0.635 0.000 -1.421) 1.556 6.724 ( -2.238 0.000 -4.450) 4.981 6.783 ( 5.583 0.000 -5.733) 8.002 6.814 ( 0.198 0.000 4.117) 4.122 6.972 ( 3.939 0.000 1.859) 4.356 6.992 ( 6.813 0.000 -3.318) 7.578 7.069 ( 1.808 0.000 3.365) 3.820 7.240 ( -4.982 0.000 -5.523) 7.438 7.273 ( -0.572 0.000 -3.979) 4.020 7.382 ( 1.362 0.000 0.790) 1.575 7.402 ( 2.601 0.000 5.415) 6.007 7.470 ( 5.674 0.000 6.758) 8.824 7.479 ( -7.879 0.000 -3.943) 8.811 7.680 ( -4.059 0.000 -0.737) 4.126 7.688 ( -6.075 0.000 1.832) 6.345 7.837 ( 2.917 0.000 -1.570) 3.312 7.899 ( 2.410 0.000 -3.458) 4.215 7.910 ( -7.126 0.000 3.075) 7.761 8.098 ( 1.949 0.000 2.588) 3.240 8.150 ( -2.554 0.000 -1.771) 3.108 8.159 ( -3.306 0.000 -4.206) 5.350 8.585 ( -2.671 0.000 3.292) 4.240 8.646 ( 1.316 0.000 2.933) 3.214 8.878 ( -4.420 0.000 -6.575) 7.923 8.965 ( 4.705 0.000 0.833) 4.778 9.132 ( -6.700 0.000 -0.827) 6.751 9.372 ( -2.306 0.000 -4.873) 5.391 9.423 ( -6.630 0.000 5.437) 8.574 9.527 ( 4.144 0.000 -1.699) 4.479 9.617 ( 0.113 0.000 -3.167) 3.169 9.626 ( -0.849 0.000 7.437) 7.486 9.918 ( 0.128 0.000 -2.631) 2.634 10.072 ( 1.593 0.000 -6.772) 6.957 10.209 ( 2.610 0.000 3.747) 4.567 10.264 ( -2.604 0.000 -2.274) 3.457 11.800 ( -0.150 0.000 -1.265) 1.274 11.827 ( 3.238 0.000 -1.649) 3.634 11.908 ( 0.521 0.000 0.824) 0.975 11.957 ( 0.360 0.000 -0.992) 1.056 13.848 ( -4.976 0.000 8.008) 9.428 14.112 ( -7.712 0.000 2.833) 8.215 14.274 ( -3.557 0.000 -5.012) 6.146 14.331 ( 4.041 0.000 3.885) 5.606 14.414 ( -1.037 0.000 2.855) 3.037 14.461 ( -0.262 0.000 -0.868) 0.906 14.675 ( 0.695 0.000 -1.892) 2.016 14.678 ( 1.947 0.000 0.289) 1.968 14.688 ( 0.436 0.000 -1.090) 1.174 14.886 ( 3.452 0.000 -2.195) 4.090 14.894 ( 4.846 0.000 1.993) 5.239 14.969 ( 0.626 0.000 -4.018) 4.066 15.038 ( -3.000 0.000 0.201) 3.007 15.067 ( 1.012 0.000 -2.285) 2.499 15.239 ( -0.149 0.000 -0.657) 0.674 15.254 ( 4.643 0.000 -0.573) 4.678 15.476 ( -0.582 0.000 1.746) 1.841 15.704 ( -0.305 0.000 -8.789) 8.795 15.750 ( -1.717 0.000 2.251) 2.831 16.021 ( -1.080 0.000 -5.219) 5.330 16.109 ( -0.485 0.000 -10.967) 10.977 16.128 ( 8.439 0.000 2.595) 8.829 16.714 ( -2.732 0.000 5.505) 6.146 16.818 ( -1.710 0.000 2.482) 3.014 17.035 ( -1.740 0.000 2.685) 3.199 17.131 ( 1.016 0.000 -1.785) 2.054 17.154 ( -0.444 0.000 -2.133) 2.178 17.271 ( 0.371 0.000 -2.862) 2.886 17.284 ( -1.227 0.000 6.611) 6.724 17.447 ( -1.556 0.000 2.395) 2.856 17.489 ( 4.379 0.000 -2.067) 4.842 17.622 ( -0.292 0.000 4.031) 4.041 17.771 ( -1.536 0.000 -3.885) 4.178 17.921 ( -0.633 0.000 -7.957) 7.983 18.357 ( -6.007 0.000 5.225) 7.962 18.413 ( 0.838 0.000 4.778) 4.850 18.586 ( 1.194 0.000 4.002) 4.176 18.647 ( -5.558 0.000 -3.200) 6.413 19.003 ( 6.346 0.000 0.955) 6.417 19.077 ( 0.466 0.000 -5.024) 5.046 19.469 ( -5.562 0.000 1.001) 5.651 19.542 ( -3.128 0.000 0.078) 3.129 19.806 ( 3.780 0.000 2.069) 4.309 19.898 ( 0.736 0.000 -2.306) 2.420 19.996 ( -2.741 0.000 0.843) 2.868 20.051 ( -2.660 0.000 -0.400) 2.690 20.377 ( 8.630 0.000 5.682) 10.333 20.516 ( 5.746 0.000 -1.048) 5.841 20.689 ( 4.723 0.000 4.949) 6.841 21.010 ( 1.257 0.000 -9.049) 9.136 21.390 ( 2.252 0.000 0.865) 2.413 21.453 ( 1.922 0.000 -2.701) 3.315 21.714 ( -2.248 0.000 -0.160) 2.253 21.753 ( 0.984 0.000 2.222) 2.430 21.900 ( -2.241 0.000 0.565) 2.311 21.951 ( -1.184 0.000 -0.372) 1.241 22.277 ( -3.711 0.000 -0.199) 3.717 22.329 ( -0.083 0.000 0.462) 0.469 22.725 ( -6.787 0.000 -1.609) 6.975 22.808 ( 1.443 0.000 4.696) 4.912 ======================= Grid point 51 (22/78) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -16.710 0.000 -14.270) 21.974 0.784 ( -21.762 0.000 -6.684) 22.765 1.392 ( -35.327 0.000 -7.736) 36.164 1.627 ( -10.977 0.000 1.162) 11.039 1.746 ( -0.505 0.000 -10.465) 10.477 1.757 ( -12.487 0.000 -4.179) 13.167 1.908 ( -1.108 0.000 -3.152) 3.341 2.071 ( -2.792 0.000 -0.473) 2.831 2.130 ( -3.956 0.000 -0.438) 3.980 2.245 ( 2.299 0.000 -5.358) 5.831 2.300 ( 3.659 0.000 0.671) 3.720 2.523 ( 5.689 0.000 -5.680) 8.039 2.536 ( 6.944 0.000 7.188) 9.994 2.601 ( 0.741 0.000 1.926) 2.064 2.680 ( -1.509 0.000 -10.714) 10.820 2.710 ( -2.971 0.000 0.236) 2.981 2.734 ( 6.190 0.000 2.772) 6.783 2.809 ( 2.514 0.000 2.136) 3.299 2.912 ( 3.548 0.000 5.444) 6.498 2.983 ( 10.471 0.000 -2.169) 10.693 3.055 ( -2.960 0.000 -1.717) 3.422 3.059 ( 0.937 0.000 0.613) 1.119 3.142 ( -1.295 0.000 1.707) 2.143 3.163 ( 0.776 0.000 0.590) 0.975 3.379 ( 0.280 0.000 4.008) 4.018 3.380 ( 1.405 0.000 0.920) 1.679 3.410 ( 3.582 0.000 4.777) 5.971 3.429 ( -1.979 0.000 3.300) 3.847 3.581 ( -1.723 0.000 -1.278) 2.145 3.591 ( 1.593 0.000 3.484) 3.831 3.611 ( -1.223 0.000 -5.161) 5.304 3.622 ( 0.355 0.000 -4.884) 4.896 3.688 ( 4.198 0.000 -3.018) 5.170 3.733 ( 0.147 0.000 0.808) 0.822 3.756 ( 1.360 0.000 -1.347) 1.914 3.798 ( 2.448 0.000 -0.434) 2.486 3.804 ( -1.493 0.000 -8.757) 8.883 3.843 ( 5.769 0.000 -2.486) 6.282 3.988 ( -2.533 0.000 -8.225) 8.606 4.056 ( -4.664 0.000 1.728) 4.974 4.160 ( -0.979 0.000 4.980) 5.076 4.167 ( 3.429 0.000 -2.810) 4.433 4.207 ( -0.567 0.000 -1.049) 1.193 4.608 ( 6.830 0.000 -0.088) 6.831 4.635 ( 3.452 0.000 -7.331) 8.103 4.695 ( 3.945 0.000 3.478) 5.259 4.765 ( -0.926 0.000 -3.583) 3.701 4.775 ( 5.950 0.000 7.927) 9.912 4.937 ( -1.572 0.000 -3.176) 3.544 4.960 ( 9.241 0.000 -1.871) 9.429 5.057 ( 1.463 0.000 2.217) 2.656 5.111 ( 9.753 0.000 1.754) 9.910 5.266 ( 8.298 0.000 -2.108) 8.562 5.391 ( 5.693 0.000 10.573) 12.008 5.406 ( 3.781 0.000 13.760) 14.270 5.427 ( 2.947 0.000 -1.027) 3.121 5.668 ( -3.698 0.000 5.302) 6.464 5.746 ( -4.357 0.000 4.104) 5.986 5.783 ( -3.632 0.000 -8.340) 9.097 5.861 ( -1.312 0.000 1.372) 1.898 5.880 ( -3.864 0.000 -0.432) 3.888 5.904 ( -1.652 0.000 0.968) 1.914 5.980 ( -0.416 0.000 0.513) 0.660 6.047 ( 1.885 0.000 -1.096) 2.180 6.247 ( -3.096 0.000 1.305) 3.360 6.280 ( -1.109 0.000 3.272) 3.455 6.332 ( -3.799 0.000 1.881) 4.239 6.500 ( -4.557 0.000 3.946) 6.028 6.586 ( 0.629 0.000 5.147) 5.185 6.629 ( -0.434 0.000 2.537) 2.573 6.632 ( -2.108 0.000 -3.745) 4.298 6.797 ( 5.116 0.000 -5.653) 7.624 6.877 ( -1.468 0.000 -4.429) 4.666 6.985 ( 4.750 0.000 1.420) 4.957 7.039 ( 0.309 0.000 3.238) 3.253 7.106 ( 1.078 0.000 -4.012) 4.154 7.187 ( 3.487 0.000 -1.559) 3.820 7.221 ( 2.513 0.000 -3.682) 4.458 7.267 ( -8.362 0.000 -4.715) 9.600 7.433 ( 0.541 0.000 1.278) 1.388 7.506 ( 0.029 0.000 4.208) 4.208 7.555 ( -2.965 0.000 0.639) 3.033 7.600 ( -6.369 0.000 1.367) 6.514 7.706 ( 3.199 0.000 6.537) 7.278 7.835 ( -0.300 0.000 -9.509) 9.513 7.840 ( -7.073 0.000 3.695) 7.980 7.853 ( 0.120 0.000 0.547) 0.560 7.990 ( -4.358 0.000 -3.987) 5.907 8.079 ( -2.027 0.000 -3.708) 4.226 8.210 ( 1.358 0.000 3.628) 3.874 8.605 ( -2.139 0.000 4.737) 5.197 8.737 ( -3.020 0.000 -5.274) 6.078 8.742 ( 1.100 0.000 9.865) 9.927 8.962 ( -7.998 0.000 -3.502) 8.731 9.025 ( 2.239 0.000 -0.568) 2.310 9.321 ( -4.752 0.000 -3.443) 5.869 9.335 ( -0.823 0.000 0.658) 1.054 9.588 ( -2.255 0.000 12.110) 12.318 9.712 ( 7.404 0.000 1.350) 7.526 9.731 ( 0.232 0.000 8.175) 8.178 9.891 ( 1.155 0.000 -2.507) 2.760 9.995 ( 3.129 0.000 -10.068) 10.543 10.165 ( -4.043 0.000 -4.028) 5.707 10.267 ( -0.496 0.000 2.372) 2.423 11.776 ( -0.527 0.000 -1.287) 1.391 11.839 ( 2.852 0.000 -4.053) 4.956 11.932 ( 0.758 0.000 1.119) 1.352 11.952 ( 0.728 0.000 -0.836) 1.109 13.926 ( -5.937 0.000 18.468) 19.398 14.008 ( -8.471 0.000 0.379) 8.480 14.182 ( -0.623 0.000 -2.527) 2.602 14.426 ( 1.806 0.000 0.032) 1.807 14.430 ( -0.448 0.000 1.522) 1.587 14.469 ( 1.691 0.000 3.404) 3.801 14.666 ( 0.585 0.000 -1.653) 1.753 14.685 ( 0.851 0.000 -0.436) 0.956 14.728 ( 1.500 0.000 0.311) 1.532 14.846 ( -1.004 0.000 -6.012) 6.096 14.869 ( -1.085 0.000 -3.741) 3.895 14.975 ( -3.766 0.000 1.036) 3.906 14.996 ( 1.775 0.000 4.221) 4.579 15.080 ( 9.197 0.000 -15.299) 17.851 15.222 ( -0.604 0.000 -1.037) 1.200 15.342 ( 6.509 0.000 -0.141) 6.510 15.544 ( 1.326 0.000 5.570) 5.726 15.602 ( 2.518 0.000 -7.624) 8.029 15.742 ( -2.154 0.000 1.105) 2.421 15.809 ( -9.098 0.000 -8.982) 12.785 16.020 ( 2.574 0.000 -9.758) 10.091 16.302 ( 8.738 0.000 3.014) 9.243 16.719 ( -3.323 0.000 2.785) 4.336 16.792 ( -4.719 0.000 0.652) 4.764 17.059 ( -0.682 0.000 3.508) 3.574 17.120 ( 0.684 0.000 -1.144) 1.333 17.135 ( 0.592 0.000 -0.475) 0.759 17.238 ( -0.234 0.000 -2.250) 2.262 17.387 ( -0.279 0.000 8.348) 8.353 17.460 ( -2.994 0.000 8.078) 8.615 17.523 ( 4.936 0.000 -3.780) 6.218 17.652 ( 0.417 0.000 -0.102) 0.429 17.740 ( -0.720 0.000 1.892) 2.025 17.824 ( -0.248 0.000 -4.885) 4.892 18.317 ( -6.003 0.000 3.023) 6.722 18.426 ( -3.020 0.000 1.402) 3.329 18.532 ( -3.830 0.000 -2.521) 4.585 18.691 ( 2.265 0.000 4.939) 5.433 19.053 ( 3.490 0.000 -2.556) 4.326 19.105 ( 4.082 0.000 3.010) 5.072 19.410 ( -5.719 0.000 3.815) 6.875 19.508 ( -2.101 0.000 -0.307) 2.124 19.842 ( -1.809 0.000 -2.345) 2.962 19.882 ( 3.563 0.000 0.089) 3.564 19.983 ( -1.926 0.000 2.410) 3.086 20.045 ( 0.671 0.000 0.833) 1.070 20.462 ( 0.113 0.000 -7.090) 7.091 20.584 ( 9.259 0.000 2.929) 9.712 20.865 ( 2.333 0.000 -17.690) 17.843 20.936 ( 9.752 0.000 8.042) 12.640 21.441 ( 2.588 0.000 0.937) 2.753 21.457 ( 2.933 0.000 -2.504) 3.857 21.667 ( -3.077 0.000 -0.563) 3.128 21.788 ( 0.264 0.000 1.072) 1.104 21.860 ( -3.467 0.000 0.437) 3.495 21.918 ( -1.935 0.000 -0.564) 2.016 22.203 ( -5.400 0.000 0.179) 5.403 22.325 ( -0.787 0.000 -0.111) 0.794 22.591 ( -7.303 0.000 -1.317) 7.420 22.914 ( 1.366 0.000 7.981) 8.098 ======================= Grid point 52 (23/78) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -23.208 0.000 9.221) 24.973 0.418 ( -21.340 0.000 17.491) 27.592 0.760 ( -40.963 0.000 17.039) 44.365 1.486 ( -9.769 0.000 2.031) 9.978 1.527 ( -8.754 0.000 -3.499) 9.427 1.663 ( 2.338 0.000 -1.392) 2.721 1.904 ( 3.367 0.000 -1.212) 3.578 2.057 ( -4.564 0.000 -1.074) 4.689 2.072 ( -3.875 0.000 7.270) 8.238 2.230 ( 4.546 0.000 -5.685) 7.279 2.329 ( 0.612 0.000 0.993) 1.166 2.426 ( -2.874 0.000 -16.179) 16.432 2.545 ( -1.265 0.000 -0.561) 1.384 2.593 ( -9.493 0.000 -4.777) 10.627 2.667 ( 0.369 0.000 4.241) 4.258 2.731 ( 5.907 0.000 1.425) 6.077 2.816 ( 3.182 0.000 -1.171) 3.390 2.872 ( 5.754 0.000 -1.949) 6.075 2.985 ( 0.572 0.000 -2.975) 3.029 3.003 ( 1.955 0.000 0.411) 1.998 3.032 ( -2.534 0.000 3.283) 4.148 3.152 ( 3.455 0.000 -2.513) 4.273 3.216 ( 5.368 0.000 1.361) 5.538 3.227 ( 7.018 0.000 2.432) 7.427 3.371 ( -3.607 0.000 -0.924) 3.723 3.412 ( -0.155 0.000 0.278) 0.318 3.445 ( 0.516 0.000 -5.261) 5.287 3.449 ( -4.054 0.000 -3.025) 5.058 3.523 ( -0.437 0.000 1.322) 1.392 3.553 ( -0.648 0.000 0.577) 0.868 3.606 ( 0.839 0.000 -2.167) 2.324 3.634 ( -2.394 0.000 -0.415) 2.430 3.673 ( 0.617 0.000 4.050) 4.097 3.693 ( 0.169 0.000 7.006) 7.008 3.739 ( -2.329 0.000 1.543) 2.794 3.799 ( 1.196 0.000 0.823) 1.451 3.813 ( 1.778 0.000 1.740) 2.488 3.852 ( -2.531 0.000 -4.755) 5.387 3.936 ( 3.976 0.000 -2.555) 4.726 4.021 ( -0.554 0.000 -1.893) 1.973 4.115 ( 0.662 0.000 -4.436) 4.485 4.152 ( -4.762 0.000 0.733) 4.819 4.216 ( -0.662 0.000 1.751) 1.872 4.631 ( -0.158 0.000 -0.687) 0.705 4.688 ( 6.855 0.000 2.140) 7.181 4.756 ( 3.996 0.000 0.538) 4.032 4.826 ( 7.586 0.000 -6.199) 9.796 4.902 ( 3.212 0.000 -1.891) 3.727 4.918 ( 2.178 0.000 1.621) 2.715 5.079 ( 10.902 0.000 1.842) 11.056 5.145 ( -0.195 0.000 1.606) 1.617 5.235 ( 5.788 0.000 0.192) 5.791 5.322 ( 5.264 0.000 -9.563) 10.916 5.502 ( 5.252 0.000 5.195) 7.387 5.542 ( -0.772 0.000 -5.392) 5.447 5.567 ( -4.959 0.000 -1.761) 5.262 5.669 ( -2.317 0.000 0.018) 2.317 5.689 ( -4.337 0.000 0.448) 4.360 5.746 ( 6.124 0.000 16.351) 17.460 5.813 ( -4.586 0.000 -0.904) 4.675 5.902 ( 1.732 0.000 7.620) 7.815 5.913 ( 1.743 0.000 2.857) 3.346 5.950 ( -0.348 0.000 -4.054) 4.069 6.067 ( 1.362 0.000 -0.332) 1.402 6.133 ( -8.425 0.000 -5.366) 9.989 6.249 ( -1.589 0.000 2.124) 2.653 6.337 ( -1.454 0.000 1.624) 2.180 6.481 ( -3.089 0.000 -3.565) 4.717 6.482 ( -5.404 0.000 -1.781) 5.690 6.545 ( 0.147 0.000 -1.036) 1.046 6.745 ( 3.183 0.000 -4.664) 5.647 6.796 ( 1.702 0.000 -5.081) 5.358 6.803 ( 2.324 0.000 -1.234) 2.631 7.045 ( 1.466 0.000 0.474) 1.541 7.091 ( 2.952 0.000 -0.455) 2.987 7.101 ( -2.899 0.000 0.135) 2.903 7.108 ( -2.356 0.000 3.209) 3.981 7.231 ( 4.373 0.000 -1.444) 4.606 7.246 ( 2.320 0.000 -2.749) 3.597 7.437 ( -1.228 0.000 0.955) 1.555 7.481 ( -3.401 0.000 -5.738) 6.670 7.518 ( -5.169 0.000 0.077) 5.170 7.539 ( -2.068 0.000 2.528) 3.266 7.634 ( -7.516 0.000 -1.251) 7.620 7.799 ( -5.558 0.000 4.037) 6.870 7.823 ( 1.416 0.000 0.613) 1.543 7.862 ( -0.642 0.000 0.917) 1.119 7.929 ( 0.050 0.000 -1.043) 1.044 8.008 ( 0.074 0.000 -2.639) 2.640 8.239 ( -0.503 0.000 0.270) 0.570 8.605 ( -4.014 0.000 1.587) 4.317 8.646 ( -0.211 0.000 -5.159) 5.163 8.868 ( -1.990 0.000 2.208) 2.972 8.915 ( 2.605 0.000 4.373) 5.090 9.037 ( 0.137 0.000 -3.920) 3.922 9.226 ( 0.898 0.000 -12.069) 12.103 9.345 ( -1.935 0.000 4.116) 4.548 9.668 ( -7.571 0.000 -4.873) 9.004 9.799 ( -1.654 0.000 0.801) 1.838 9.823 ( 2.922 0.000 0.844) 3.042 9.895 ( 1.647 0.000 -0.434) 1.704 9.937 ( 6.872 0.000 -0.300) 6.879 10.075 ( -1.751 0.000 0.056) 1.752 10.260 ( -2.099 0.000 0.451) 2.147 11.759 ( -0.155 0.000 -0.065) 0.168 11.854 ( 3.721 0.000 7.851) 8.688 11.954 ( 0.181 0.000 1.027) 1.043 11.959 ( 0.702 0.000 0.215) 0.735 13.895 ( -4.576 0.000 -1.248) 4.743 14.167 ( 0.390 0.000 -0.158) 0.421 14.219 ( 0.435 0.000 2.580) 2.616 14.425 ( -0.230 0.000 -0.294) 0.373 14.436 ( -0.315 0.000 -0.823) 0.882 14.553 ( 1.310 0.000 3.499) 3.736 14.586 ( -6.688 0.000 -14.960) 16.387 14.653 ( 0.209 0.000 0.570) 0.607 14.707 ( 2.109 0.000 0.084) 2.111 14.721 ( -1.832 0.000 -13.535) 13.658 14.806 ( -1.980 0.000 -0.488) 2.039 14.867 ( 1.343 0.000 1.110) 1.742 14.952 ( -2.361 0.000 1.845) 2.997 15.169 ( 7.588 0.000 7.786) 10.872 15.213 ( 2.861 0.000 8.007) 8.503 15.429 ( 4.828 0.000 -0.540) 4.859 15.561 ( -5.183 0.000 -0.591) 5.217 15.613 ( -2.687 0.000 4.848) 5.543 15.640 ( -0.594 0.000 -0.468) 0.756 15.724 ( -0.800 0.000 0.171) 0.818 15.935 ( 0.717 0.000 0.661) 0.975 16.468 ( 8.047 0.000 2.183) 8.338 16.692 ( -7.061 0.000 -1.602) 7.241 16.702 ( -2.122 0.000 1.401) 2.543 17.094 ( 0.234 0.000 2.244) 2.256 17.138 ( 0.249 0.000 2.416) 2.429 17.156 ( 1.056 0.000 0.950) 1.420 17.205 ( -0.237 0.000 -1.739) 1.755 17.416 ( 0.275 0.000 -0.030) 0.276 17.538 ( 4.939 0.000 -5.269) 7.222 17.655 ( 1.179 0.000 -0.795) 1.422 17.726 ( 7.072 0.000 16.266) 17.737 17.765 ( -2.239 0.000 4.139) 4.706 17.815 ( 2.610 0.000 10.462) 10.783 18.259 ( -2.912 0.000 -3.118) 4.266 18.390 ( -2.440 0.000 0.164) 2.445 18.472 ( -1.667 0.000 -0.085) 1.670 18.740 ( -0.096 0.000 -0.331) 0.345 19.115 ( 4.462 0.000 1.178) 4.615 19.270 ( 7.115 0.000 6.393) 9.565 19.450 ( -2.695 0.000 -1.601) 3.134 19.455 ( -0.121 0.000 15.319) 15.319 19.814 ( 0.074 0.000 -0.522) 0.527 19.918 ( 3.157 0.000 1.612) 3.545 20.016 ( 1.504 0.000 13.361) 13.445 20.070 ( 1.100 0.000 -0.324) 1.147 20.396 ( 1.492 0.000 -2.688) 3.074 20.436 ( -8.682 0.000 -30.715) 31.919 20.784 ( 2.990 0.000 1.683) 3.431 21.144 ( 5.525 0.000 4.065) 6.859 21.477 ( 3.029 0.000 -1.218) 3.265 21.486 ( 0.821 0.000 1.410) 1.631 21.613 ( -2.219 0.000 -0.594) 2.297 21.777 ( -1.629 0.000 -0.704) 1.774 21.815 ( -2.926 0.000 0.597) 2.987 21.905 ( 1.303 0.000 0.620) 1.442 22.132 ( -4.544 0.000 1.407) 4.757 22.306 ( -0.329 0.000 -1.186) 1.230 22.482 ( -4.811 0.000 -0.457) 4.832 22.984 ( -2.136 0.000 -11.899) 12.089 ======================= Grid point 53 (24/78) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -2.072 15.841 15.682) 22.386 0.850 ( -0.308 21.893 21.283) 30.535 1.335 ( -3.576 -0.005 3.238) 4.824 1.420 ( -2.706 27.708 29.862) 40.826 1.586 ( 4.119 12.438 -1.820) 13.228 1.769 ( 6.344 -1.563 0.322) 6.541 1.906 ( 2.115 -4.193 3.351) 5.769 2.014 ( -1.834 0.414 6.617) 6.879 2.127 ( -0.428 0.801 8.386) 8.435 2.227 ( -1.991 -4.282 6.262) 7.843 2.320 ( 4.976 -11.009 7.882) 14.424 2.358 ( 7.800 1.478 3.603) 8.718 2.416 ( 0.703 -0.004 6.152) 6.192 2.631 ( -1.034 -5.467 -5.417) 7.765 2.698 ( 2.048 3.555 -0.724) 4.166 2.791 ( -0.650 4.179 -1.837) 4.611 2.871 ( -0.536 -0.992 2.016) 2.310 2.925 ( 0.562 2.260 0.784) 2.457 2.978 ( -1.587 2.539 4.117) 5.091 2.982 ( -7.134 -0.137 -1.232) 7.241 3.033 ( -0.140 -0.629 -3.556) 3.614 3.104 ( 1.676 1.478 -1.936) 2.956 3.187 ( -1.409 -2.260 -2.195) 3.451 3.269 ( -2.762 -0.487 -4.348) 5.174 3.310 ( -0.321 -2.103 -8.455) 8.719 3.360 ( -5.966 -1.337 -2.097) 6.464 3.382 ( 3.746 1.072 -1.031) 4.031 3.468 ( -1.276 -6.052 2.392) 6.631 3.527 ( 4.091 0.922 1.468) 4.443 3.569 ( 0.066 -3.874 5.887) 7.048 3.596 ( 3.228 -0.680 2.005) 3.860 3.621 ( -1.377 1.731 -2.262) 3.164 3.678 ( -1.345 0.440 0.555) 1.520 3.718 ( 1.892 -3.742 1.444) 4.435 3.751 ( 3.928 -1.509 1.404) 4.436 3.840 ( -3.440 -0.301 0.781) 3.540 3.887 ( 2.249 -4.274 0.948) 4.922 3.908 ( 1.803 6.045 -1.435) 6.469 4.012 ( 0.313 5.039 2.551) 5.657 4.062 ( 1.078 3.175 1.610) 3.720 4.130 ( 0.595 5.217 1.643) 5.502 4.145 ( 1.611 -0.775 -1.241) 2.176 4.250 ( -0.010 1.250 3.832) 4.031 4.455 ( 2.455 -14.820 2.116) 15.170 4.754 ( 0.818 3.942 -18.342) 18.779 4.780 ( 1.736 3.923 -1.912) 4.697 4.843 ( -3.715 1.146 -1.477) 4.159 4.892 ( 4.029 3.097 -4.497) 6.786 5.016 ( 2.037 -1.383 -2.585) 3.569 5.065 ( -7.204 -1.923 -7.722) 10.734 5.096 ( -5.263 0.317 -10.830) 12.045 5.154 ( -0.331 -6.544 -2.614) 7.055 5.244 ( -2.726 2.567 -7.998) 8.831 5.359 ( 2.052 -6.257 -0.835) 6.638 5.512 ( 2.843 3.339 0.083) 4.386 5.597 ( -2.342 0.309 -1.331) 2.711 5.660 ( -0.877 -3.073 -0.704) 3.272 5.734 ( 3.741 -4.593 -0.359) 5.935 5.778 ( -2.791 1.285 1.460) 3.402 5.843 ( 0.134 1.871 11.509) 11.661 5.940 ( -3.726 1.080 1.205) 4.062 5.949 ( -1.983 1.159 1.185) 2.585 6.032 ( 1.869 0.592 1.875) 2.713 6.078 ( 1.101 1.777 0.633) 2.184 6.165 ( -3.169 1.616 -4.645) 5.851 6.238 ( -0.460 -3.321 0.653) 3.416 6.285 ( 1.310 5.721 0.417) 5.884 6.310 ( -1.227 2.215 -3.058) 3.971 6.485 ( -1.655 -1.482 -0.260) 2.237 6.592 ( 1.883 -6.261 -1.809) 6.783 6.725 ( 2.228 6.418 2.632) 7.285 6.794 ( 5.212 2.853 -6.394) 8.729 6.898 ( -0.135 7.037 -1.869) 7.282 7.002 ( -1.609 -7.865 3.042) 8.585 7.053 ( 1.414 -4.564 0.647) 4.821 7.134 ( 1.532 -1.973 0.614) 2.572 7.191 ( -1.240 -2.182 1.573) 2.962 7.253 ( 0.028 3.816 6.383) 7.437 7.298 ( -1.693 -3.208 -0.659) 3.687 7.345 ( 0.457 -0.947 0.021) 1.052 7.385 ( 0.258 -2.882 2.652) 3.925 7.451 ( 1.438 -2.318 0.996) 2.904 7.515 ( -2.219 3.444 -2.269) 4.683 7.721 ( 3.242 -3.708 0.547) 4.956 7.791 ( 1.391 0.857 -0.318) 1.664 7.823 ( 3.991 0.976 -7.247) 8.331 7.878 ( -0.981 4.972 -1.426) 5.264 7.949 ( 0.629 2.503 1.976) 3.250 8.151 ( 1.554 8.601 0.067) 8.740 8.261 ( 0.530 1.621 1.542) 2.299 8.381 ( -5.675 0.494 4.243) 7.103 8.546 ( -1.842 -1.127 -0.779) 2.296 8.807 ( 5.407 0.546 -5.342) 7.620 8.899 ( -2.306 -2.681 -0.656) 3.596 9.034 ( -5.754 10.548 -9.510) 15.323 9.155 ( 5.031 3.575 -9.681) 11.481 9.382 ( -4.519 -0.781 4.365) 6.331 9.455 ( -6.138 -2.712 0.616) 6.739 9.769 ( -1.244 5.929 -6.710) 9.041 9.828 ( -0.892 0.624 1.352) 1.735 9.945 ( 2.386 3.187 -0.189) 3.985 10.041 ( 1.027 -4.220 5.515) 7.020 10.138 ( 2.520 -1.976 -3.892) 5.040 10.219 ( -0.268 -0.527 1.434) 1.551 11.789 ( 0.555 1.541 1.573) 2.271 11.924 ( 0.411 -2.804 0.949) 2.989 11.961 ( 0.041 -1.306 1.401) 1.915 12.004 ( 0.038 -3.441 3.828) 5.147 13.629 ( -5.754 1.725 2.355) 6.452 13.829 ( 0.417 -2.068 -1.301) 2.479 14.186 ( 0.437 0.633 0.573) 0.959 14.367 ( 0.366 -4.002 -1.572) 4.316 14.413 ( -0.108 1.294 -2.431) 2.756 14.514 ( -2.253 -0.301 -3.740) 4.376 14.669 ( 2.935 -1.878 5.554) 6.556 14.695 ( 0.648 0.891 1.464) 1.832 14.749 ( 2.124 1.995 1.517) 3.285 14.788 ( -1.143 -0.689 1.820) 2.256 14.884 ( -0.200 -1.992 4.906) 5.298 14.910 ( 0.409 -1.845 0.740) 2.030 14.972 ( 3.334 4.618 -0.497) 5.718 15.196 ( 1.133 -2.372 0.976) 2.804 15.364 ( -1.908 -2.859 -2.207) 4.085 15.460 ( -0.030 -2.692 0.539) 2.745 15.571 ( -0.546 2.246 -1.358) 2.680 15.636 ( 1.042 0.719 -0.248) 1.290 15.700 ( -1.233 -0.497 -1.281) 1.846 15.718 ( 6.448 0.890 1.348) 6.648 16.143 ( 3.871 -1.968 13.081) 13.783 16.510 ( -2.356 -5.901 0.993) 6.431 16.596 ( 1.471 1.408 -1.518) 2.540 16.683 ( -2.078 -0.419 0.295) 2.140 17.118 ( -1.082 -0.849 0.143) 1.383 17.158 ( -4.818 -1.254 3.818) 6.274 17.192 ( -0.137 1.593 0.243) 1.617 17.208 ( 0.038 3.403 -1.047) 3.561 17.337 ( -1.609 -2.291 6.044) 6.661 17.431 ( 0.156 -0.025 -0.910) 0.924 17.526 ( 4.233 -0.462 -3.709) 5.647 17.694 ( -2.318 -2.576 3.210) 4.723 17.832 ( 1.462 -0.803 3.697) 4.056 18.015 ( -0.879 -6.244 -1.581) 6.501 18.393 ( 0.318 3.503 -3.596) 5.030 18.411 ( -4.717 4.613 -8.137) 10.475 18.627 ( 0.761 20.700 -20.700) 29.284 18.734 ( -0.630 4.288 -6.639) 7.929 19.170 ( -2.177 1.513 -0.329) 2.672 19.203 ( -12.873 0.856 -2.057) 13.064 19.360 ( 0.425 1.330 2.682) 3.023 19.446 ( 2.174 0.116 1.007) 2.399 19.829 ( 0.606 2.012 0.149) 2.107 19.951 ( 0.282 0.265 0.238) 0.454 20.042 ( -3.164 -0.703 -1.797) 3.706 20.055 ( -4.062 -0.446 -2.673) 4.882 20.454 ( 5.282 -0.191 5.082) 7.332 20.765 ( -0.133 -5.370 1.487) 5.574 20.892 ( 19.826 -11.705 11.528) 25.748 21.131 ( -5.003 -4.471 -0.986) 6.782 21.526 ( 1.032 0.928 0.798) 1.601 21.567 ( -0.024 1.121 -2.044) 2.332 21.643 ( 4.207 1.749 1.017) 4.668 21.709 ( 2.053 -0.805 -1.384) 2.603 21.875 ( -0.653 4.614 -0.393) 4.676 21.947 ( -0.105 -1.317 -0.216) 1.339 22.083 ( -2.529 -1.827 2.067) 3.742 22.235 ( -5.900 -4.678 0.508) 7.547 22.365 ( 0.283 2.623 0.326) 2.658 22.453 ( -0.017 -0.091 -1.100) 1.104 ======================= Grid point 54 (25/78) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 15.430 8.071 12.147) 21.231 1.175 ( 5.802 17.377 17.930) 25.634 1.346 ( 1.780 -2.687 -0.280) 3.235 1.693 ( 11.932 3.232 3.098) 12.744 1.813 ( 9.892 -0.062 -9.714) 13.865 1.899 ( 0.516 13.227 29.819) 32.625 2.024 ( 1.651 3.299 2.039) 4.215 2.079 ( 2.302 2.082 7.719) 8.319 2.264 ( -2.471 -0.129 7.758) 8.143 2.331 ( 0.216 -2.261 12.551) 12.755 2.428 ( -2.606 1.229 -7.018) 7.587 2.481 ( 3.453 -0.740 1.595) 3.874 2.517 ( 2.122 -3.943 4.966) 6.687 2.550 ( 0.040 -6.020 1.319) 6.163 2.688 ( -2.033 0.134 0.027) 2.038 2.740 ( -5.616 3.356 -1.621) 6.740 2.815 ( -2.263 5.273 3.118) 6.530 2.876 ( -2.670 -0.335 0.242) 2.702 2.922 ( -5.688 -5.282 1.353) 7.879 2.984 ( -0.142 -1.923 5.274) 5.615 3.043 ( -3.217 6.419 -0.449) 7.194 3.129 ( -1.047 -3.769 0.552) 3.951 3.150 ( -1.029 -4.657 -3.536) 5.938 3.198 ( 5.156 -2.202 0.002) 5.607 3.268 ( -1.085 1.031 4.731) 4.962 3.327 ( -0.118 -0.468 4.995) 5.019 3.370 ( -2.481 1.388 -2.657) 3.892 3.393 ( -0.210 1.909 -4.311) 4.719 3.539 ( -4.196 -2.586 -0.707) 4.980 3.586 ( 1.811 3.132 -1.737) 4.013 3.637 ( -0.027 -4.590 2.517) 5.235 3.643 ( -0.117 -3.011 -5.219) 6.026 3.676 ( 0.520 0.930 2.168) 2.416 3.736 ( 3.259 1.141 -2.666) 4.363 3.803 ( 0.445 -2.363 -0.077) 2.406 3.880 ( 4.635 -0.071 3.154) 5.607 3.919 ( 4.496 2.419 -2.927) 5.885 3.951 ( 2.859 1.300 0.844) 3.252 4.035 ( 1.565 9.483 -1.331) 9.703 4.121 ( 2.051 -0.780 3.319) 3.979 4.138 ( -1.722 -3.077 0.751) 3.605 4.166 ( 0.558 1.381 0.385) 1.539 4.334 ( -0.251 -0.369 7.309) 7.323 4.444 ( 2.311 5.578 -22.028) 22.841 4.531 ( 3.450 -7.656 -0.589) 8.418 4.716 ( -3.517 -2.403 -4.002) 5.845 4.775 ( -7.726 -1.953 -4.944) 9.378 4.822 ( -2.228 0.698 -1.272) 2.659 4.860 ( -4.444 -1.217 -1.528) 4.854 4.920 ( 0.379 0.877 -6.808) 6.875 5.041 ( -0.450 -1.125 -4.029) 4.208 5.081 ( -1.830 2.353 -7.921) 8.464 5.190 ( 1.771 1.443 6.187) 6.595 5.265 ( -4.931 -6.161 -1.058) 7.962 5.514 ( -7.738 -2.225 -0.957) 8.108 5.557 ( -0.582 2.297 1.494) 2.801 5.671 ( 0.792 1.000 0.460) 1.357 5.682 ( -2.313 -2.069 -5.423) 6.249 5.770 ( -5.285 -3.358 5.564) 8.377 5.824 ( -4.424 -2.511 -1.972) 5.455 5.945 ( -1.362 3.368 1.777) 4.044 6.009 ( -1.185 -1.391 4.070) 4.461 6.069 ( -0.786 -1.817 -2.208) 2.965 6.090 ( -1.268 2.339 0.791) 2.776 6.094 ( -0.685 2.022 0.262) 2.151 6.201 ( 0.372 1.391 -6.879) 7.028 6.224 ( -3.102 -4.121 0.425) 5.175 6.339 ( 4.353 3.241 1.519) 5.636 6.425 ( -1.767 -3.371 -3.051) 4.878 6.595 ( -0.285 6.575 -2.379) 6.998 6.787 ( 6.016 -2.611 -5.011) 8.253 6.842 ( 1.676 5.894 6.224) 8.735 6.930 ( -1.573 0.260 2.458) 2.930 6.973 ( -2.575 -6.271 3.556) 7.655 7.021 ( -0.015 0.511 -3.398) 3.437 7.157 ( -4.659 -2.343 -0.263) 5.222 7.202 ( -0.591 -5.179 2.698) 5.869 7.245 ( -1.216 -3.328 1.020) 3.687 7.317 ( -2.485 -1.171 -0.733) 2.843 7.375 ( 4.248 4.184 2.910) 6.635 7.446 ( 4.926 -3.076 -1.295) 5.950 7.501 ( 4.336 0.784 -1.031) 4.525 7.543 ( 3.886 2.504 1.533) 4.870 7.633 ( -4.096 4.417 -4.879) 7.752 7.745 ( -0.265 1.585 -3.967) 4.280 7.850 ( 0.780 -3.366 3.087) 4.634 7.941 ( 7.763 3.919 -1.843) 8.889 8.046 ( 7.843 0.226 0.302) 7.852 8.160 ( -1.099 7.462 1.075) 7.618 8.234 ( -4.147 2.998 0.850) 5.187 8.426 ( 0.478 -0.432 3.960) 4.012 8.536 ( 1.516 -1.523 -0.352) 2.178 8.778 ( 8.458 8.593 -7.479) 14.188 8.914 ( 6.354 -5.261 -2.615) 8.654 8.993 ( 0.877 1.340 -0.484) 1.673 9.110 ( 2.636 1.691 -5.427) 6.266 9.356 ( 0.188 -3.592 4.024) 5.397 9.464 ( -1.626 -2.875 5.072) 6.053 9.655 ( -0.868 8.410 -5.277) 9.966 9.815 ( -2.950 1.262 1.389) 3.496 9.973 ( 1.323 3.655 -0.087) 3.888 10.087 ( -1.036 -3.383 -3.463) 4.951 10.136 ( 2.232 -5.066 2.788) 6.198 10.258 ( 0.944 -0.223 2.002) 2.224 11.825 ( 0.303 1.211 2.243) 2.567 11.907 ( -1.434 -0.478 -1.231) 1.950 11.979 ( -1.028 -1.753 1.781) 2.702 12.006 ( -3.220 -2.068 1.438) 4.088 13.656 ( 2.989 2.647 1.907) 4.425 13.849 ( 4.741 -1.661 -1.923) 5.379 14.214 ( 1.413 -0.300 1.844) 2.342 14.343 ( 0.567 -3.672 -2.798) 4.651 14.396 ( -0.176 0.070 -1.461) 1.474 14.430 ( -1.287 0.992 -2.878) 3.305 14.714 ( -0.551 1.082 1.422) 1.870 14.734 ( -0.282 -0.434 1.207) 1.314 14.794 ( -2.609 1.214 3.608) 4.616 14.839 ( 3.928 -0.992 3.554) 5.389 14.881 ( -0.812 -3.521 -0.947) 3.736 14.972 ( 0.397 -0.703 1.728) 1.907 15.024 ( 3.557 4.541 2.468) 6.274 15.180 ( -1.496 -1.027 -4.966) 5.287 15.278 ( -4.050 0.182 1.258) 4.245 15.418 ( -4.652 -2.643 -0.603) 5.384 15.514 ( -4.209 1.865 -0.960) 4.703 15.667 ( -0.159 -2.284 -1.260) 2.614 15.688 ( 4.168 0.927 0.929) 4.370 15.865 ( 9.241 -3.479 -0.049) 9.875 16.319 ( -1.491 -1.789 9.208) 9.498 16.414 ( -6.633 1.080 0.214) 6.723 16.634 ( 0.989 -0.794 -1.642) 2.075 16.673 ( 2.665 -1.319 -0.812) 3.082 17.084 ( -5.244 -0.716 1.103) 5.406 17.109 ( -0.609 -2.531 0.303) 2.621 17.183 ( 0.530 3.694 -1.644) 4.077 17.247 ( -0.429 0.956 4.262) 4.389 17.383 ( -1.436 -0.071 2.268) 2.686 17.416 ( -0.035 -1.163 0.082) 1.166 17.550 ( 2.213 2.505 -0.718) 3.419 17.681 ( -3.595 0.055 1.627) 3.947 17.931 ( 1.292 -0.684 2.454) 2.857 17.950 ( -2.123 2.457 -0.927) 3.377 18.138 ( -1.934 6.843 -6.737) 9.796 18.362 ( 0.071 0.499 -4.321) 4.350 18.564 ( 3.121 5.452 -0.758) 6.328 18.626 ( -1.023 3.891 -6.180) 7.374 19.120 ( -2.049 -0.542 2.243) 3.086 19.142 ( -1.585 -0.538 1.684) 2.374 19.395 ( -0.570 1.801 2.105) 2.828 19.480 ( 0.467 -0.227 -0.480) 0.707 19.879 ( 2.945 1.672 3.355) 4.767 19.934 ( -4.744 1.264 -2.556) 5.535 19.955 ( 0.069 0.575 0.330) 0.666 20.012 ( -0.226 -0.586 -1.802) 1.909 20.597 ( 1.452 0.522 4.167) 4.443 20.615 ( -7.078 0.991 -3.655) 8.028 20.934 ( -13.752 -3.786 -4.860) 15.068 21.131 ( -1.664 -12.968 5.450) 14.165 21.513 ( -2.920 2.263 -0.081) 3.696 21.565 ( -0.288 -0.541 1.362) 1.493 21.679 ( -0.614 1.503 0.814) 1.816 21.715 ( 0.772 -1.055 -1.629) 2.089 21.854 ( -0.000 2.826 -0.537) 2.877 21.929 ( 0.774 2.436 -0.094) 2.558 22.120 ( 4.353 -1.079 1.027) 4.601 22.261 ( 4.017 -3.502 -1.011) 5.424 22.457 ( 8.719 -1.241 -0.889) 8.851 22.521 ( 9.153 -0.510 -1.472) 9.285 ======================= Grid point 55 (26/78) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 9.535 6.327 -1.326) 11.519 1.345 ( 11.979 2.807 3.333) 12.747 1.460 ( 5.995 7.944 8.344) 12.988 1.846 ( 10.359 1.697 -4.190) 11.303 1.962 ( 10.634 3.414 1.704) 11.297 2.002 ( 7.366 6.338 -8.935) 13.200 2.103 ( -4.830 2.659 0.592) 5.545 2.214 ( -1.601 3.247 8.348) 9.099 2.276 ( -3.176 -0.167 0.130) 3.183 2.327 ( -6.646 0.008 -0.835) 6.699 2.355 ( -1.363 -4.289 6.912) 8.248 2.474 ( -0.712 -2.283 -1.912) 3.062 2.541 ( -4.179 -3.850 -1.399) 5.852 2.598 ( -2.666 -2.680 6.604) 7.610 2.641 ( -6.611 -0.674 9.305) 11.434 2.757 ( -1.251 0.207 2.582) 2.877 2.785 ( -0.691 2.790 2.341) 3.707 2.880 ( -5.125 4.589 1.470) 7.035 2.967 ( 0.143 -3.833 -0.498) 3.868 3.014 ( 3.079 4.511 9.922) 11.326 3.040 ( -0.897 0.840 2.042) 2.383 3.102 ( 1.398 -2.219 0.020) 2.623 3.110 ( -0.197 -2.583 -3.769) 4.573 3.201 ( -4.380 3.865 -0.397) 5.855 3.304 ( -0.481 -2.029 1.455) 2.542 3.356 ( -5.931 4.633 -0.197) 7.529 3.397 ( 2.229 0.020 2.384) 3.264 3.402 ( 0.329 -6.800 -1.780) 7.037 3.491 ( 5.432 5.823 1.230) 8.058 3.577 ( 1.893 0.159 0.340) 1.929 3.604 ( -3.584 -4.754 0.478) 5.973 3.655 ( 2.290 -0.595 5.405) 5.900 3.701 ( 2.467 -1.261 -3.170) 4.211 3.747 ( 1.574 5.008 -1.536) 5.470 3.841 ( 2.317 -0.932 0.493) 2.546 3.879 ( 3.720 2.724 -10.670) 11.624 3.936 ( 1.629 3.148 -4.140) 5.451 4.008 ( 1.217 5.140 -5.308) 7.488 4.043 ( 4.675 1.117 1.631) 5.076 4.080 ( 2.209 1.378 0.754) 2.711 4.186 ( -0.944 -1.015 3.601) 3.859 4.200 ( 0.943 1.134 1.436) 2.059 4.300 ( -1.567 1.205 -3.767) 4.254 4.377 ( 2.701 -3.562 -5.802) 7.325 4.552 ( -3.170 0.696 0.124) 3.248 4.648 ( -0.508 -1.838 4.693) 5.066 4.705 ( 1.207 -6.740 -1.537) 7.018 4.733 ( -2.537 -5.500 -4.767) 7.707 4.803 ( -2.513 -4.542 2.746) 5.872 4.866 ( 4.179 -0.919 -3.537) 5.551 4.963 ( -2.424 0.793 -0.866) 2.693 5.011 ( -0.637 -0.201 -2.234) 2.332 5.211 ( -3.578 -3.338 1.482) 5.113 5.284 ( -4.252 -1.038 0.754) 4.441 5.351 ( -7.572 0.336 1.706) 7.769 5.527 ( -3.599 1.391 -0.072) 3.859 5.619 ( -0.881 3.565 -0.004) 3.672 5.670 ( -5.622 -9.686 -2.646) 11.507 5.706 ( -1.171 -2.714 2.906) 4.145 5.794 ( -1.273 2.206 1.485) 2.948 5.912 ( -4.635 -2.410 -3.403) 6.235 5.955 ( -1.896 -0.567 -0.551) 2.054 6.006 ( -3.601 0.163 -2.147) 4.196 6.075 ( -2.343 0.757 1.732) 3.010 6.120 ( 2.528 0.654 0.524) 2.663 6.130 ( -3.134 4.779 2.995) 6.452 6.221 ( -1.525 0.790 3.312) 3.731 6.310 ( -1.235 -0.094 -6.309) 6.429 6.484 ( 2.992 1.229 4.243) 5.336 6.541 ( 2.981 2.544 -5.836) 7.029 6.747 ( -1.698 -5.044 -7.859) 9.491 6.818 ( -5.552 -1.205 0.261) 5.687 6.961 ( -0.827 5.322 -0.283) 5.393 6.995 ( 0.754 0.961 1.231) 1.734 7.037 ( 3.239 -3.623 -0.666) 4.905 7.095 ( -5.124 1.616 4.253) 6.853 7.179 ( -4.349 -0.550 -0.345) 4.397 7.239 ( 0.783 -3.531 1.055) 3.767 7.289 ( 2.214 -2.159 -3.665) 4.796 7.432 ( 1.536 -1.940 -0.258) 2.488 7.468 ( 0.222 5.398 -3.132) 6.245 7.500 ( 0.402 -2.812 -1.196) 3.082 7.595 ( 3.552 2.532 -1.974) 4.788 7.623 ( 2.065 0.467 3.619) 4.193 7.770 ( 4.247 0.609 1.367) 4.503 7.901 ( 2.298 -0.149 0.935) 2.485 8.038 ( 7.096 1.165 -0.473) 7.207 8.096 ( -0.732 8.079 -0.800) 8.151 8.158 ( -1.212 6.233 -1.287) 6.479 8.224 ( 1.640 -0.383 2.384) 2.919 8.467 ( -0.353 -5.893 3.328) 6.777 8.552 ( 0.848 -4.603 -1.661) 4.967 8.885 ( 8.184 1.563 1.697) 8.503 8.956 ( 4.416 1.992 -5.627) 7.425 9.025 ( 7.644 -0.902 -2.941) 8.239 9.093 ( 2.499 0.456 -0.315) 2.560 9.465 ( 0.364 -1.875 -0.864) 2.096 9.541 ( 7.318 -1.212 7.999) 10.910 9.654 ( 0.441 6.755 5.101) 8.476 9.784 ( -2.801 2.526 1.098) 3.928 9.969 ( 0.327 -0.798 -3.887) 3.982 10.023 ( 0.025 2.475 -2.924) 3.831 10.188 ( 0.064 -5.386 1.684) 5.644 10.278 ( -0.051 -1.295 -0.209) 1.312 11.847 ( -0.995 0.545 1.041) 1.540 11.861 ( -1.528 0.671 -1.369) 2.158 11.957 ( -3.617 -1.148 0.763) 3.871 11.982 ( -1.524 -1.184 0.714) 2.057 13.738 ( 3.578 2.318 2.132) 4.767 13.923 ( 7.532 -2.075 -0.987) 7.874 14.251 ( -0.642 -2.529 -0.436) 2.646 14.309 ( -0.580 -4.254 -1.749) 4.635 14.362 ( 1.045 2.830 0.277) 3.029 14.439 ( 2.624 1.326 0.232) 2.949 14.713 ( -1.180 1.515 0.364) 1.954 14.735 ( -1.157 0.383 0.616) 1.365 14.788 ( -2.790 -1.144 1.135) 3.222 14.841 ( -1.171 -0.317 -1.535) 1.957 14.904 ( 0.963 -0.878 -0.468) 1.385 15.001 ( -0.196 -1.501 1.730) 2.298 15.067 ( -1.444 3.414 -2.290) 4.357 15.097 ( 0.485 0.108 -1.776) 1.845 15.257 ( -2.223 -1.842 2.305) 3.694 15.322 ( -6.122 -2.828 -0.198) 6.747 15.469 ( -0.282 2.334 0.653) 2.440 15.653 ( 1.064 -2.504 -1.255) 2.996 15.781 ( 4.636 0.657 1.407) 4.889 15.970 ( 5.972 -3.843 -2.241) 7.447 16.266 ( -6.864 5.989 -1.367) 9.212 16.446 ( -2.053 0.748 9.668) 9.912 16.583 ( -1.117 0.690 -4.941) 5.113 16.712 ( 2.714 -2.128 -0.445) 3.478 17.042 ( -2.850 0.215 2.074) 3.531 17.121 ( 0.354 -3.099 0.994) 3.274 17.169 ( -0.164 2.456 -0.357) 2.487 17.298 ( -0.492 1.313 4.148) 4.379 17.351 ( -0.829 -0.797 -2.833) 3.057 17.433 ( 0.142 1.200 1.001) 1.569 17.542 ( -0.359 5.344 -3.598) 6.452 17.647 ( -4.753 3.476 3.901) 7.064 17.868 ( 0.501 1.215 -1.272) 1.830 18.066 ( 3.966 -3.294 3.352) 6.149 18.115 ( -0.610 -3.090 2.180) 3.831 18.276 ( -0.797 -2.133 -5.907) 6.330 18.569 ( 1.356 4.839 -1.978) 5.401 18.635 ( 5.431 3.397 0.363) 6.416 19.105 ( -4.960 0.044 1.788) 5.272 19.184 ( 0.136 -1.187 4.559) 4.713 19.416 ( 1.991 0.820 0.838) 2.311 19.474 ( 1.877 -0.564 -1.051) 2.224 19.837 ( -3.407 2.467 -2.393) 4.840 19.940 ( -1.018 -0.818 0.567) 1.424 19.969 ( 0.530 0.545 0.074) 0.764 20.024 ( 3.675 0.702 2.022) 4.253 20.398 ( -9.684 -0.050 -4.571) 10.709 20.579 ( -15.072 -4.527 -5.365) 16.627 20.732 ( 0.340 3.152 2.199) 3.858 21.125 ( -4.339 -7.814 2.475) 9.274 21.458 ( -3.716 3.031 -0.202) 4.800 21.558 ( -3.236 -0.276 1.534) 3.591 21.678 ( 0.640 -0.510 -1.520) 1.727 21.700 ( 0.807 -0.580 -0.418) 1.078 21.872 ( 2.232 1.930 -0.186) 2.956 21.950 ( 1.785 2.239 -0.226) 2.872 22.213 ( 5.430 -0.611 0.605) 5.497 22.301 ( 2.790 0.092 -0.608) 2.857 22.580 ( 8.296 -2.830 -1.705) 8.930 22.645 ( 7.588 -1.903 0.798) 7.863 ======================= Grid point 56 (27/78) ======================= q-point: ( 0.38 0.20 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 7.881 8.773 -0.654) 11.811 1.543 ( 9.102 5.653 0.953) 10.757 1.671 ( 8.523 3.634 0.530) 9.281 1.852 ( -4.118 2.857 -5.740) 7.620 1.937 ( 3.191 1.428 -7.246) 8.045 2.042 ( 6.666 7.135 -10.936) 14.660 2.083 ( 0.521 0.750 -2.621) 2.776 2.195 ( 4.445 -4.021 2.124) 6.359 2.275 ( 1.613 4.763 1.181) 5.166 2.338 ( -4.368 -0.316 4.839) 6.527 2.411 ( -5.315 -1.012 0.047) 5.410 2.452 ( 0.328 2.421 5.802) 6.295 2.457 ( -6.300 -1.366 5.750) 8.638 2.631 ( -2.302 2.131 2.710) 4.145 2.662 ( -4.538 -1.994 1.677) 5.233 2.700 ( -5.996 -0.770 -0.104) 6.046 2.807 ( 1.331 1.321 -3.357) 3.845 2.847 ( -1.302 -0.481 2.518) 2.875 2.945 ( -1.843 -1.215 -4.755) 5.242 3.005 ( -2.627 -4.734 -2.253) 5.864 3.032 ( 0.116 1.186 -2.723) 2.972 3.079 ( 3.460 0.213 -2.416) 4.226 3.119 ( 2.227 -1.790 3.617) 4.610 3.225 ( 0.479 0.733 -0.748) 1.152 3.301 ( 0.799 -0.705 -3.215) 3.387 3.320 ( -0.688 -1.213 -0.496) 1.480 3.395 ( 1.288 1.881 -3.591) 4.253 3.412 ( -2.959 4.074 4.811) 6.964 3.490 ( -4.170 -0.887 1.602) 4.554 3.528 ( -0.865 0.144 -0.061) 0.879 3.623 ( -2.359 2.872 -1.852) 4.152 3.699 ( -2.246 -2.531 -1.886) 3.874 3.734 ( 1.210 1.638 1.739) 2.678 3.785 ( 3.589 -0.547 4.433) 5.729 3.834 ( 2.807 4.604 -4.497) 7.021 3.885 ( 4.793 -0.073 -3.675) 6.040 3.932 ( 5.998 -0.368 1.153) 6.119 4.002 ( 2.598 3.074 -1.772) 4.398 4.119 ( 0.247 -5.355 -3.156) 6.220 4.126 ( -1.694 2.126 -0.796) 2.832 4.185 ( 1.461 6.983 -0.826) 7.182 4.238 ( 4.327 1.472 -1.412) 4.784 4.262 ( 0.459 -1.404 6.844) 7.001 4.341 ( 3.621 -1.910 -6.621) 7.785 4.511 ( -0.008 2.680 -0.354) 2.703 4.583 ( -4.763 -0.212 -5.388) 7.195 4.650 ( -2.049 -6.087 -4.049) 7.592 4.677 ( -4.960 -4.236 2.224) 6.891 4.916 ( 2.257 1.741 0.580) 2.909 4.944 ( -1.656 -5.560 3.482) 6.766 4.967 ( 1.150 -3.975 0.923) 4.240 5.043 ( 7.376 -4.400 7.869) 11.649 5.112 ( -3.054 2.969 -5.228) 6.743 5.201 ( -1.378 -0.362 3.260) 3.558 5.304 ( -6.900 -6.893 -0.645) 9.775 5.482 ( -4.614 -6.678 2.677) 8.547 5.530 ( -5.754 -4.900 -2.159) 7.860 5.609 ( 0.300 1.095 3.780) 3.947 5.732 ( -4.760 -1.071 -0.357) 4.892 5.813 ( 0.730 4.980 5.452) 7.420 5.828 ( 0.703 -2.171 -0.846) 2.434 5.916 ( -2.876 1.343 2.267) 3.901 5.928 ( -3.847 5.383 -1.463) 6.777 6.042 ( -4.715 4.222 3.332) 7.153 6.145 ( -3.016 2.963 4.494) 6.171 6.187 ( -0.346 0.177 -0.933) 1.010 6.252 ( 2.497 -0.678 6.934) 7.401 6.304 ( 1.143 -2.758 2.430) 3.849 6.518 ( 0.410 -2.888 -2.400) 3.777 6.552 ( 6.320 1.712 -2.483) 7.003 6.614 ( -2.584 -3.223 -3.573) 5.462 6.756 ( -1.278 1.119 -1.048) 1.996 6.919 ( -1.723 2.076 -0.985) 2.872 6.966 ( 0.682 4.530 -6.853) 8.243 7.038 ( -3.168 1.936 -1.985) 4.210 7.050 ( 0.279 1.855 -0.555) 1.956 7.166 ( -2.402 -1.433 4.763) 5.523 7.278 ( 1.560 -4.283 1.179) 4.708 7.295 ( 1.984 -2.691 -0.844) 3.448 7.419 ( -0.018 4.793 -0.466) 4.816 7.473 ( 0.594 -1.541 -3.924) 4.258 7.505 ( 0.959 -3.894 4.247) 5.841 7.629 ( 2.960 -4.029 -0.036) 4.999 7.680 ( 0.206 -0.424 2.411) 2.456 7.845 ( 3.386 3.424 -0.341) 4.827 7.940 ( 1.248 2.919 0.179) 3.180 8.062 ( -2.712 9.823 0.876) 10.228 8.106 ( -2.066 6.605 -0.559) 6.943 8.137 ( 5.657 -2.405 -1.591) 6.350 8.278 ( 2.116 -0.135 -0.080) 2.121 8.515 ( 0.282 -7.150 3.884) 8.142 8.520 ( -1.007 -7.052 -1.933) 7.381 8.918 ( -0.818 3.231 -1.550) 3.676 9.036 ( 5.060 -0.868 2.418) 5.675 9.075 ( 3.404 -2.509 -2.643) 4.987 9.192 ( 9.703 -0.604 -1.732) 9.875 9.468 ( 0.177 1.106 1.271) 1.694 9.676 ( -1.405 4.490 4.219) 6.320 9.710 ( -3.863 7.965 2.083) 9.095 9.833 ( 6.053 -3.157 -0.698) 6.862 9.903 ( 1.516 -1.088 -1.638) 2.483 10.006 ( 0.704 4.123 -1.780) 4.545 10.176 ( -2.014 -4.033 -1.115) 4.644 10.267 ( 0.162 -2.682 -0.395) 2.716 11.815 ( -0.452 0.788 -1.454) 1.715 11.844 ( -1.351 0.493 0.208) 1.453 11.916 ( -2.496 -0.400 0.436) 2.565 11.967 ( -0.907 -1.085 0.002) 1.414 13.812 ( 1.468 2.261 2.791) 3.880 14.054 ( 8.195 -3.515 1.854) 9.108 14.207 ( -1.628 -1.460 -0.889) 2.360 14.267 ( -3.094 -4.270 -0.310) 5.282 14.426 ( 2.927 2.279 1.602) 4.041 14.495 ( 2.528 2.877 1.101) 3.984 14.683 ( -1.623 -2.231 -1.619) 3.199 14.715 ( 0.063 0.996 -1.222) 1.578 14.756 ( -1.621 -1.078 -0.084) 1.949 14.801 ( -1.299 2.497 -1.744) 3.312 14.897 ( 0.265 -1.436 -1.376) 2.006 14.960 ( -1.376 2.026 -3.671) 4.413 15.015 ( -2.227 0.583 0.800) 2.437 15.111 ( 1.518 -3.952 -0.490) 4.262 15.245 ( -2.833 -1.571 -0.104) 3.241 15.259 ( -1.942 -0.634 1.578) 2.581 15.504 ( 1.126 0.673 1.554) 2.033 15.671 ( 1.835 -2.779 0.354) 3.348 15.845 ( 2.313 0.486 -0.736) 2.475 15.994 ( 3.393 -2.655 -3.991) 5.873 16.150 ( -3.772 9.061 -2.624) 10.159 16.472 ( -2.299 1.314 -7.378) 7.839 16.556 ( -0.981 1.185 9.815) 9.935 16.747 ( 1.322 -1.769 1.108) 2.471 17.042 ( -1.534 0.912 2.403) 2.994 17.127 ( -1.144 -1.307 0.687) 1.867 17.180 ( 0.563 0.225 1.208) 1.352 17.293 ( -0.318 0.891 -3.615) 3.737 17.340 ( -0.897 -0.099 3.183) 3.309 17.446 ( 0.797 0.910 -0.011) 1.210 17.471 ( 0.764 5.519 -5.971) 8.167 17.636 ( -4.480 5.855 4.884) 8.843 17.880 ( 1.250 -3.375 -1.199) 3.793 18.085 ( -1.100 -2.285 -3.362) 4.211 18.150 ( 2.658 -5.628 1.592) 6.424 18.262 ( -1.464 -2.693 5.686) 6.460 18.585 ( 2.045 5.273 -0.344) 5.666 18.739 ( 7.099 2.682 0.395) 7.599 19.000 ( -8.937 1.457 -0.491) 9.068 19.207 ( -2.778 -1.646 0.777) 3.321 19.491 ( 4.597 0.606 1.431) 4.852 19.557 ( 6.498 -1.128 2.702) 7.127 19.762 ( -3.221 1.419 -0.870) 3.626 19.870 ( -4.735 -1.244 -2.283) 5.401 20.011 ( 3.143 0.155 1.188) 3.363 20.118 ( 3.776 -1.142 2.505) 4.673 20.216 ( -6.688 0.001 -1.877) 6.946 20.293 ( -9.562 -1.110 -4.960) 10.829 20.764 ( -0.671 2.378 0.927) 2.639 21.084 ( -2.902 -5.944 -0.008) 6.614 21.404 ( -2.229 3.211 -0.465) 3.937 21.515 ( -2.372 -0.186 -0.932) 2.555 21.678 ( 1.022 0.030 0.046) 1.023 21.718 ( 0.501 -1.518 0.731) 1.758 21.904 ( 1.899 1.582 -0.053) 2.472 21.970 ( 1.022 1.508 -0.187) 1.832 22.289 ( 3.690 0.506 0.125) 3.726 22.330 ( 1.207 1.723 -0.024) 2.104 22.657 ( 4.692 -2.258 -1.109) 5.324 22.758 ( 3.524 -3.771 1.738) 5.446 ======================= Grid point 57 (28/78) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.455 13.271 2.169) 13.455 1.611 ( -4.080 3.377 -10.145) 11.444 1.742 ( -0.547 5.130 0.235) 5.164 1.838 ( 9.688 4.708 7.089) 12.895 1.885 ( 9.548 4.955 -13.272) 17.084 1.968 ( 3.092 2.373 -1.559) 4.197 2.085 ( 3.922 -0.037 -6.303) 7.424 2.191 ( -4.571 -6.702 -0.701) 8.143 2.223 ( -5.712 -2.669 -6.717) 9.213 2.303 ( -8.740 3.440 0.025) 9.393 2.406 ( -3.121 -1.261 1.048) 3.526 2.440 ( 5.483 -0.668 5.365) 7.701 2.503 ( -3.650 -1.737 -6.152) 7.361 2.589 ( 0.305 5.049 5.477) 7.455 2.624 ( -4.697 1.533 -1.155) 5.074 2.630 ( -0.108 0.752 1.494) 1.676 2.714 ( -3.722 4.719 -2.823) 6.641 2.806 ( -2.585 0.215 -4.313) 5.033 2.942 ( 4.536 -1.955 -1.004) 5.040 3.008 ( 0.570 -6.264 -5.157) 8.133 3.016 ( 3.384 -2.626 -1.138) 4.432 3.099 ( 0.758 4.173 -4.049) 5.864 3.152 ( -0.288 2.781 -1.155) 3.025 3.176 ( -1.624 -3.826 -2.821) 5.023 3.200 ( 0.918 -3.464 0.177) 3.588 3.352 ( 0.798 -1.683 5.310) 5.628 3.397 ( -1.768 -6.158 2.110) 6.745 3.452 ( 0.493 5.489 2.408) 6.015 3.466 ( 0.240 -0.547 -0.284) 0.662 3.521 ( -0.089 -0.131 -0.440) 0.468 3.604 ( -0.206 -1.266 -5.035) 5.196 3.663 ( -0.199 6.596 3.451) 7.447 3.707 ( -1.660 0.827 -4.767) 5.115 3.761 ( 0.835 0.843 -1.037) 1.576 3.843 ( 1.103 -3.397 -7.313) 8.138 3.914 ( 0.954 7.513 -0.710) 7.607 3.993 ( -2.037 3.058 -3.446) 5.038 4.004 ( -0.738 0.939 -3.212) 3.427 4.068 ( 2.829 -7.397 -1.523) 8.064 4.141 ( 3.604 2.958 -0.288) 4.672 4.179 ( -0.591 0.984 -0.040) 1.148 4.240 ( -1.628 0.621 -0.216) 1.756 4.304 ( -0.917 1.341 -1.363) 2.121 4.362 ( 5.887 3.675 -3.618) 7.826 4.507 ( 4.199 1.338 1.115) 4.546 4.552 ( 3.655 3.331 -3.723) 6.191 4.574 ( 1.121 -3.318 0.970) 3.634 4.698 ( 0.722 -6.208 5.613) 8.401 4.879 ( -4.687 -5.205 -3.664) 7.905 4.915 ( -0.583 0.124 -2.741) 2.805 4.929 ( 0.121 -3.446 -1.752) 3.868 5.020 ( -2.262 1.796 -2.451) 3.788 5.181 ( -1.727 -2.037 3.335) 4.272 5.222 ( -0.447 -5.503 -0.812) 5.580 5.258 ( -5.129 -2.662 3.293) 6.651 5.440 ( 2.556 -9.567 3.503) 10.504 5.550 ( 0.148 -5.138 3.642) 6.300 5.699 ( -2.036 -0.683 6.778) 7.110 5.757 ( -2.878 3.868 0.199) 4.825 5.806 ( 2.620 2.421 5.421) 6.489 5.856 ( -0.650 4.101 2.950) 5.093 5.899 ( 1.586 -2.476 6.390) 7.034 5.958 ( 1.454 0.380 -0.125) 1.508 6.060 ( -2.854 2.856 6.708) 7.830 6.119 ( -5.467 0.775 1.857) 5.826 6.206 ( -0.313 3.361 6.767) 7.562 6.324 ( -0.522 1.197 2.975) 3.249 6.349 ( -3.426 2.670 4.203) 6.044 6.492 ( 1.777 -2.474 -0.479) 3.083 6.591 ( 1.953 -3.723 -1.071) 4.338 6.690 ( 7.977 -1.794 5.257) 9.721 6.751 ( 0.204 -0.218 -0.358) 0.466 6.859 ( 2.952 0.574 -8.686) 9.192 6.909 ( -0.658 2.542 -2.459) 3.597 6.985 ( 0.692 0.466 -2.280) 2.428 7.060 ( 2.927 1.052 -0.969) 3.258 7.180 ( -4.000 -0.378 4.498) 6.031 7.290 ( -2.663 -4.882 0.518) 5.585 7.319 ( 1.432 -3.468 -0.602) 3.800 7.411 ( 1.122 1.919 -2.737) 3.526 7.453 ( 2.556 5.761 1.962) 6.601 7.573 ( -0.627 -1.534 4.268) 4.578 7.688 ( 1.370 -3.003 2.685) 4.255 7.700 ( -1.632 -0.422 2.001) 2.617 7.846 ( -0.021 3.031 -3.224) 4.425 7.930 ( -2.386 1.842 -0.356) 3.035 8.027 ( -1.816 7.717 -1.095) 8.003 8.104 ( 1.570 6.321 1.140) 6.612 8.172 ( 1.621 -2.187 -1.774) 3.250 8.270 ( -1.014 0.635 -2.360) 2.646 8.487 ( -1.915 -7.480 0.568) 7.742 8.579 ( 0.881 -5.959 3.999) 7.231 8.904 ( 1.449 2.712 -1.205) 3.302 9.027 ( -2.194 0.360 -3.793) 4.397 9.119 ( 1.608 -2.558 1.496) 3.372 9.319 ( 7.375 -7.075 0.583) 10.236 9.466 ( -4.838 2.890 1.357) 5.797 9.622 ( -3.310 8.618 -3.996) 10.060 9.666 ( -4.613 3.940 -0.414) 6.080 9.768 ( -0.443 1.962 -4.787) 5.193 9.960 ( 0.583 0.831 -3.333) 3.484 10.053 ( 2.214 -2.516 5.606) 6.531 10.129 ( 1.595 -1.051 -3.188) 3.717 10.277 ( 0.022 -2.341 0.564) 2.408 11.809 ( 1.421 0.796 -0.727) 1.784 11.826 ( -0.306 0.769 -0.637) 1.044 11.897 ( -0.684 -0.134 0.513) 0.865 11.956 ( -0.228 -1.046 -0.474) 1.170 13.850 ( -2.150 2.334 3.757) 4.918 14.159 ( -5.136 -4.846 1.502) 7.219 14.192 ( 3.676 -2.018 2.219) 4.744 14.262 ( 2.460 -2.575 1.912) 4.042 14.444 ( -2.340 1.803 -0.300) 2.970 14.504 ( -1.483 2.032 -1.113) 2.751 14.664 ( 1.143 -1.579 -0.528) 2.019 14.706 ( -0.630 -1.387 -1.722) 2.299 14.721 ( 1.096 2.640 -0.887) 2.993 14.802 ( 2.723 1.891 -0.245) 3.325 14.881 ( 1.778 0.573 -1.928) 2.684 14.934 ( 2.458 0.482 -1.376) 2.858 15.016 ( 0.188 -2.421 0.750) 2.542 15.108 ( 0.411 -2.479 -1.445) 2.899 15.215 ( -0.697 -0.703 -0.397) 1.067 15.250 ( -1.185 -0.197 0.545) 1.319 15.508 ( -1.923 0.344 -0.232) 1.967 15.698 ( -0.156 -3.910 1.401) 4.157 15.822 ( -0.270 1.153 -4.605) 4.755 15.995 ( 3.775 -2.725 -4.151) 6.238 16.109 ( 2.389 8.690 -1.190) 9.090 16.320 ( -3.147 1.999 -8.851) 9.604 16.664 ( -1.270 1.234 8.237) 8.425 16.781 ( -0.210 -1.522 2.545) 2.973 17.047 ( -2.039 1.128 2.330) 3.295 17.113 ( -0.897 -1.133 -0.095) 1.448 17.203 ( -0.500 0.344 2.196) 2.278 17.247 ( 0.351 1.542 -3.385) 3.736 17.358 ( -0.171 1.224 0.464) 1.320 17.418 ( 0.540 2.545 -2.384) 3.528 17.469 ( 3.190 0.268 -1.448) 3.513 17.642 ( -2.893 5.776 4.541) 7.897 17.851 ( 0.586 -1.525 -4.327) 4.625 18.010 ( -1.790 -1.563 -4.175) 4.804 18.250 ( 3.731 -4.359 5.667) 8.065 18.304 ( -4.150 -4.410 6.219) 8.680 18.610 ( 0.764 5.330 0.779) 5.441 18.823 ( -2.550 5.916 -2.885) 7.059 18.882 ( 2.125 -2.386 0.847) 3.305 19.138 ( -2.091 -2.034 -4.205) 5.118 19.532 ( -1.927 0.514 0.110) 1.998 19.598 ( -3.890 -1.385 -1.091) 4.271 19.752 ( 1.780 1.573 1.918) 3.053 19.852 ( 3.501 -1.008 1.587) 3.974 20.040 ( -1.884 -0.052 -0.353) 1.918 20.126 ( -3.124 -1.178 -2.002) 3.893 20.199 ( 3.174 0.561 3.897) 5.057 20.280 ( 7.706 -1.468 6.117) 9.947 20.731 ( -1.746 2.567 -2.455) 3.958 21.033 ( -1.182 -5.346 -3.158) 6.320 21.385 ( 0.422 2.570 -0.165) 2.609 21.473 ( -0.005 -0.080 -2.298) 2.300 21.706 ( 0.764 -0.124 1.826) 1.983 21.726 ( -0.676 -1.051 0.690) 1.428 21.924 ( 0.249 1.494 0.422) 1.572 21.974 ( 0.095 0.971 -0.387) 1.049 22.326 ( -0.385 1.380 0.178) 1.444 22.335 ( 0.424 1.702 0.179) 1.763 22.707 ( 2.055 -2.789 0.974) 3.599 22.779 ( -2.156 -3.763 -0.105) 4.338 ======================= Grid point 58 (29/78) ======================= q-point: (-0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -10.041 9.789 -18.795) 23.450 1.374 ( -11.195 18.269 -4.734) 21.943 1.698 ( -10.926 0.803 4.367) 11.794 1.832 ( 1.397 1.269 -5.396) 5.717 1.943 ( -0.120 3.162 -4.198) 5.257 1.993 ( -5.588 2.842 -9.230) 11.158 2.042 ( -1.195 -4.662 -0.281) 4.821 2.131 ( 0.388 -4.106 -8.485) 9.434 2.162 ( -1.211 -0.999 3.874) 4.180 2.252 ( 6.029 3.151 2.010) 7.093 2.278 ( -8.339 0.551 -0.547) 8.375 2.376 ( 3.523 4.031 -9.095) 10.553 2.505 ( -3.112 1.838 0.558) 3.657 2.598 ( 4.311 0.414 4.472) 6.226 2.650 ( -0.613 -1.507 -0.161) 1.635 2.660 ( -2.014 -4.621 -4.699) 6.891 2.701 ( 2.082 3.922 -0.234) 4.447 2.741 ( 3.292 -0.230 5.984) 6.833 2.881 ( -3.594 -1.701 -9.647) 10.434 2.933 ( 0.944 -3.633 -2.525) 4.524 3.047 ( 1.019 0.162 1.132) 1.532 3.056 ( 0.097 2.855 1.080) 3.054 3.121 ( 1.468 -8.864 -1.720) 9.148 3.231 ( 4.780 5.798 0.354) 7.522 3.306 ( -0.912 2.907 1.897) 3.589 3.316 ( -4.902 -1.470 -0.922) 5.200 3.408 ( -1.245 -3.758 3.301) 5.155 3.452 ( -0.707 -8.251 1.261) 8.377 3.475 ( -0.490 -0.021 0.174) 0.521 3.519 ( 1.031 -3.184 -0.814) 3.445 3.591 ( 4.370 6.518 3.258) 8.497 3.626 ( 0.602 -2.057 -2.798) 3.525 3.681 ( 0.912 -0.635 -0.782) 1.359 3.796 ( 2.963 1.023 -3.139) 4.436 3.816 ( 0.419 4.002 -4.960) 6.387 3.851 ( -0.536 6.750 -6.186) 9.171 3.862 ( -1.078 -1.491 -2.726) 3.289 3.975 ( 3.954 8.897 -5.230) 11.052 4.039 ( 0.731 -5.654 -5.515) 7.932 4.134 ( -1.245 1.564 -2.470) 3.177 4.150 ( -4.338 0.679 -1.707) 4.711 4.190 ( -0.123 1.252 0.298) 1.293 4.294 ( -1.791 3.613 0.592) 4.075 4.500 ( 11.941 1.025 -0.059) 11.985 4.555 ( 2.693 -1.715 0.729) 3.275 4.615 ( 3.975 1.669 4.457) 6.201 4.666 ( 1.954 -1.500 -1.433) 2.850 4.799 ( 2.978 -5.297 3.276) 6.903 4.829 ( 4.242 -0.554 2.659) 5.038 4.888 ( 4.099 0.085 -2.560) 4.834 4.940 ( 1.822 -4.075 0.331) 4.476 5.017 ( 1.669 -2.121 0.579) 2.760 5.150 ( -1.295 -2.879 -1.598) 3.538 5.185 ( 0.303 -4.227 0.116) 4.239 5.284 ( 0.163 0.240 6.293) 6.300 5.509 ( 1.494 2.001 -0.154) 2.502 5.572 ( -1.821 -7.425 1.168) 7.734 5.686 ( -2.432 -0.715 2.794) 3.773 5.803 ( 1.596 -2.213 6.240) 6.810 5.864 ( -1.680 4.448 3.915) 6.160 5.905 ( -0.596 1.085 -2.965) 3.213 5.924 ( 1.672 -1.747 2.643) 3.582 6.053 ( -3.083 0.886 0.718) 3.287 6.094 ( 0.699 3.268 2.301) 4.057 6.137 ( -1.182 -3.214 10.978) 11.499 6.287 ( -4.089 1.666 6.095) 7.526 6.307 ( -2.935 1.637 6.602) 7.408 6.413 ( 0.594 2.368 3.461) 4.236 6.562 ( 2.647 2.817 1.205) 4.049 6.590 ( -2.121 -4.406 3.993) 6.313 6.718 ( 0.515 -1.338 -1.596) 2.145 6.807 ( 5.446 0.774 -8.176) 9.854 6.864 ( 1.353 -3.948 -3.351) 5.352 6.903 ( 7.404 -3.334 1.786) 8.314 6.973 ( 0.935 2.569 -1.812) 3.280 7.099 ( 2.236 -0.998 -1.059) 2.668 7.174 ( -4.076 -1.188 3.103) 5.259 7.208 ( -2.686 -3.648 -0.969) 4.632 7.306 ( 0.304 -3.867 -2.171) 4.445 7.478 ( 4.631 4.433 1.208) 6.524 7.514 ( -1.315 3.360 3.023) 4.707 7.604 ( -1.176 4.727 3.006) 5.724 7.676 ( -4.223 2.776 1.331) 5.226 7.681 ( -4.945 0.095 -0.136) 4.947 7.811 ( -0.035 -2.909 -0.198) 2.916 7.867 ( -5.339 -1.563 0.869) 5.630 7.994 ( 2.882 7.236 -5.039) 9.276 8.115 ( -1.907 1.580 -1.138) 2.726 8.178 ( -0.482 3.020 0.485) 3.097 8.211 ( 0.393 3.387 -1.992) 3.949 8.477 ( -2.995 -8.674 3.873) 9.960 8.639 ( -0.672 -3.785 4.108) 5.626 8.875 ( -0.743 1.185 -5.910) 6.074 8.981 ( 1.710 2.780 -0.039) 3.264 9.137 ( -2.485 -0.756 0.664) 2.681 9.338 ( -5.546 0.801 -2.558) 6.160 9.425 ( -0.559 -9.064 7.128) 11.544 9.501 ( -7.792 -1.254 -6.899) 10.483 9.597 ( 5.023 7.666 -1.917) 9.363 9.771 ( -0.801 8.011 4.920) 9.435 9.913 ( 1.787 -1.323 -5.497) 5.929 10.068 ( -0.629 0.234 -2.125) 2.228 10.186 ( 2.569 -2.166 2.698) 4.310 10.258 ( -1.634 -0.924 -1.693) 2.528 11.811 ( 0.004 1.125 -1.074) 1.555 11.834 ( 2.593 0.624 -1.275) 2.956 11.906 ( 0.597 -0.169 0.664) 0.909 11.947 ( 0.309 -1.014 -0.919) 1.403 13.858 ( -5.289 1.381 6.513) 8.503 14.083 ( -7.685 -3.376 2.543) 8.770 14.235 ( -0.015 -2.047 -1.860) 2.766 14.337 ( 3.284 -1.968 1.879) 4.265 14.398 ( -1.841 0.512 1.724) 2.574 14.461 ( -1.208 -0.223 -0.987) 1.575 14.673 ( 0.842 0.002 -0.571) 1.017 14.693 ( 0.361 1.641 -0.117) 1.684 14.733 ( 1.310 2.974 -0.985) 3.395 14.838 ( 2.779 -2.032 -0.945) 3.570 14.903 ( -0.880 -4.283 -2.718) 5.148 14.931 ( 2.116 0.556 -2.017) 2.976 15.049 ( 3.076 0.859 0.070) 3.194 15.098 ( 0.301 2.125 -2.141) 3.031 15.211 ( 1.030 -1.914 -0.727) 2.292 15.250 ( 2.217 -0.936 0.600) 2.480 15.487 ( -0.191 1.574 2.094) 2.627 15.706 ( -1.423 -3.504 0.824) 3.871 15.734 ( -0.331 2.142 -6.207) 6.574 15.981 ( 1.408 -4.381 -5.032) 6.819 16.144 ( -2.866 3.801 -9.836) 10.928 16.178 ( 5.952 4.168 0.816) 7.312 16.723 ( -2.792 0.840 5.059) 5.839 16.801 ( -2.280 -1.648 2.832) 3.992 17.051 ( -1.710 1.373 3.222) 3.898 17.100 ( -0.406 -1.623 -0.247) 1.691 17.196 ( -0.286 3.343 -2.870) 4.415 17.246 ( -0.382 -0.327 3.843) 3.876 17.340 ( 0.366 3.465 -2.826) 4.486 17.421 ( 0.727 -0.976 0.281) 1.250 17.506 ( 3.244 -1.291 -0.762) 3.573 17.647 ( -1.376 1.299 0.246) 1.908 17.836 ( 2.989 5.299 -1.022) 6.169 17.927 ( -1.342 2.917 -2.862) 4.301 18.292 ( -5.813 -5.285 4.793) 9.203 18.397 ( 2.697 -2.123 6.013) 6.924 18.640 ( 0.459 4.738 2.987) 5.620 18.695 ( -5.028 4.766 -2.540) 7.379 18.982 ( 6.307 -2.149 0.151) 6.665 19.058 ( 0.516 -2.104 -5.204) 5.637 19.474 ( -4.987 0.502 0.968) 5.105 19.529 ( -2.895 -1.124 0.305) 3.121 19.825 ( 3.381 1.828 1.493) 4.123 19.898 ( 1.246 -0.099 -1.619) 2.045 20.002 ( -2.481 0.695 0.812) 2.702 20.051 ( -2.852 -0.030 -0.689) 2.934 20.377 ( 8.637 0.121 5.805) 10.407 20.492 ( 7.004 -2.537 1.085) 7.528 20.701 ( 2.918 1.502 2.344) 4.033 20.954 ( 0.354 -5.255 -8.047) 9.617 21.409 ( 2.469 1.680 0.097) 2.988 21.456 ( 2.027 0.177 -2.572) 3.280 21.710 ( -2.001 -0.217 0.351) 2.043 21.745 ( 0.375 -0.813 1.826) 2.034 21.918 ( -1.819 1.831 0.521) 2.633 21.966 ( -0.486 1.181 -0.415) 1.343 22.284 ( -4.345 0.996 -0.001) 4.458 22.344 ( -0.576 1.234 0.469) 1.440 22.693 ( -6.092 -3.087 -0.972) 6.898 22.758 ( -0.180 -4.501 3.075) 5.454 ======================= Grid point 59 (30/78) ======================= q-point: (-0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -12.993 15.974 -11.291) 23.483 1.064 ( -19.011 18.696 -4.397) 27.024 1.517 ( -14.209 5.802 -0.582) 15.359 1.655 ( -23.378 10.855 -2.220) 25.870 1.765 ( -5.928 3.942 -1.990) 7.392 1.854 ( -2.427 2.264 -10.398) 10.915 1.907 ( -3.696 0.573 -3.446) 5.086 1.998 ( -4.622 -5.770 -3.301) 8.096 2.150 ( -1.626 2.920 -1.202) 3.551 2.188 ( -0.193 0.333 -4.107) 4.125 2.307 ( 3.708 -0.853 0.954) 3.923 2.456 ( 1.507 -4.796 -2.327) 5.540 2.541 ( -2.586 -5.437 0.089) 6.021 2.580 ( 0.797 -2.216 -0.798) 2.486 2.601 ( 2.549 0.715 -3.303) 4.233 2.684 ( 0.272 -3.455 -7.086) 7.889 2.722 ( 7.165 -1.102 -0.188) 7.252 2.810 ( 6.134 -2.269 4.642) 8.020 2.879 ( 0.878 -0.409 6.633) 6.704 2.936 ( 1.480 -1.480 0.172) 2.100 3.037 ( 2.611 1.832 -0.596) 3.245 3.128 ( 0.825 3.696 2.475) 4.524 3.137 ( 1.403 1.188 -5.685) 5.975 3.225 ( 0.626 0.342 6.937) 6.974 3.284 ( 1.046 -4.165 7.101) 8.299 3.389 ( 0.398 0.189 -2.295) 2.337 3.444 ( -3.112 -0.590 6.803) 7.504 3.474 ( 0.440 -9.698 2.644) 10.062 3.504 ( -0.102 -3.519 3.531) 4.986 3.551 ( 0.637 0.120 -3.662) 3.719 3.586 ( 1.578 5.299 -0.412) 5.544 3.643 ( 1.235 0.291 -1.504) 1.968 3.690 ( 3.212 -1.415 -6.349) 7.255 3.714 ( 0.901 -0.674 -6.236) 6.337 3.760 ( -1.373 0.672 -4.154) 4.426 3.808 ( 2.197 1.131 -1.137) 2.720 3.881 ( 0.941 3.191 -0.987) 3.470 3.912 ( 1.652 0.898 -6.030) 6.317 4.007 ( 1.934 6.469 -2.222) 7.108 4.071 ( -4.289 1.469 1.111) 4.668 4.130 ( -0.254 -0.192 -0.085) 0.330 4.191 ( -0.699 1.545 -0.327) 1.727 4.245 ( -1.584 3.178 -0.910) 3.666 4.515 ( -2.558 -8.297 -6.184) 10.659 4.706 ( 12.739 3.167 4.028) 13.731 4.731 ( 2.850 3.527 3.926) 5.998 4.759 ( 4.990 2.175 5.282) 7.585 4.834 ( 5.316 2.934 -2.221) 6.465 4.906 ( -0.005 -0.722 -2.446) 2.551 4.958 ( 8.159 -2.973 0.559) 8.702 4.991 ( 4.859 -3.643 -3.387) 6.954 5.104 ( 7.313 -0.868 0.951) 7.425 5.174 ( 2.831 -5.164 4.941) 7.687 5.311 ( 8.014 -4.420 5.682) 10.773 5.391 ( 2.761 -3.822 5.566) 7.294 5.541 ( 3.741 -2.963 -1.648) 5.048 5.569 ( -0.776 0.918 5.886) 6.008 5.724 ( 0.252 -0.835 3.937) 4.033 5.780 ( -2.580 -1.494 -9.408) 9.869 5.861 ( -3.314 2.565 3.961) 5.766 5.913 ( 0.361 2.632 1.719) 3.164 5.967 ( -4.425 4.541 1.157) 6.445 6.025 ( 1.694 -0.697 1.675) 2.483 6.098 ( -2.424 7.066 1.677) 7.656 6.203 ( -1.784 -2.554 3.938) 5.021 6.306 ( -2.092 0.927 2.257) 3.214 6.314 ( -4.030 -0.099 0.265) 4.040 6.477 ( -2.771 -1.990 7.605) 8.335 6.523 ( -2.833 -5.515 0.581) 6.227 6.643 ( -1.230 1.805 2.045) 2.992 6.705 ( 0.664 4.491 -6.290) 7.757 6.794 ( 2.972 -6.136 -7.447) 10.097 6.803 ( 3.001 -4.795 -3.699) 6.759 6.942 ( 4.773 0.323 -2.044) 5.203 7.047 ( 2.093 0.099 2.196) 3.035 7.095 ( -0.515 0.653 0.149) 0.845 7.150 ( 0.758 -1.022 -0.025) 1.273 7.207 ( 0.233 -1.045 0.318) 1.116 7.324 ( -0.134 -5.091 2.759) 5.792 7.394 ( -4.956 6.778 -4.834) 9.689 7.540 ( -6.747 -2.521 0.550) 7.224 7.569 ( -4.162 -0.228 -0.524) 4.201 7.580 ( -2.646 2.413 -0.086) 3.582 7.717 ( 1.662 -0.181 5.083) 5.351 7.802 ( -3.199 0.441 -0.222) 3.237 7.822 ( 0.066 -2.765 0.366) 2.789 7.957 ( 0.591 7.031 -4.676) 8.465 8.048 ( -4.212 4.604 -1.593) 6.440 8.140 ( 0.124 6.695 -1.418) 6.844 8.245 ( 0.671 2.422 1.256) 2.810 8.498 ( -4.081 -10.075 5.938) 12.387 8.641 ( -5.307 -0.609 2.999) 6.126 8.800 ( 2.337 -1.569 -6.756) 7.319 8.982 ( -1.685 3.764 -0.072) 4.124 9.104 ( 1.091 4.095 0.953) 4.344 9.279 ( -2.367 -3.665 -4.071) 5.968 9.345 ( -3.543 0.163 3.399) 4.913 9.518 ( -3.829 -5.231 12.310) 13.913 9.689 ( 7.467 0.398 -0.468) 7.492 9.844 ( -0.777 7.472 5.848) 9.521 9.880 ( 4.163 -2.162 -5.169) 6.980 10.010 ( -1.108 3.291 -4.127) 5.394 10.195 ( -1.136 1.293 -3.410) 3.820 10.236 ( -0.677 -3.223 2.263) 3.996 11.791 ( -0.450 1.472 -1.132) 1.910 11.844 ( 2.076 0.442 -2.936) 3.623 11.928 ( 0.802 -0.371 0.856) 1.230 11.943 ( 0.646 -0.964 -0.732) 1.372 13.869 ( -8.670 -3.483 10.611) 14.138 13.982 ( -7.835 -2.928 0.726) 8.396 14.192 ( -0.346 0.986 -1.838) 2.114 14.384 ( 0.824 -4.290 -0.628) 4.413 14.430 ( 0.440 0.383 2.493) 2.560 14.475 ( 2.036 0.374 3.019) 3.661 14.670 ( -0.334 0.777 -1.325) 1.572 14.690 ( -0.194 0.681 -0.786) 1.058 14.760 ( 1.775 2.521 0.357) 3.103 14.784 ( -2.775 -3.677 -4.445) 6.401 14.843 ( -0.129 -2.449 -3.051) 3.915 14.923 ( -1.068 -1.868 -3.459) 4.073 15.022 ( -0.765 0.866 -1.530) 1.917 15.113 ( 6.446 0.215 -6.027) 8.827 15.223 ( 0.721 1.097 0.706) 1.491 15.346 ( 6.320 -0.214 1.222) 6.441 15.561 ( 1.520 1.742 5.308) 5.790 15.642 ( 1.636 2.900 -5.267) 6.231 15.711 ( -1.292 -1.764 1.196) 2.493 15.865 ( -5.271 1.021 -7.341) 9.094 16.002 ( -0.441 1.694 -6.902) 7.121 16.298 ( 7.035 -1.000 1.582) 7.279 16.720 ( -3.777 0.078 2.340) 4.444 16.777 ( -4.679 -1.603 1.676) 5.223 17.082 ( -1.148 1.720 4.181) 4.665 17.100 ( 0.137 -0.415 0.866) 0.970 17.163 ( 0.316 2.757 -1.312) 3.070 17.282 ( -0.310 2.606 0.427) 2.659 17.319 ( -1.112 -1.491 1.761) 2.561 17.427 ( 0.307 -0.287 -0.732) 0.844 17.531 ( 2.987 -2.515 -3.440) 5.204 17.636 ( 0.539 -2.505 0.653) 2.644 17.821 ( -1.093 0.967 -2.256) 2.687 17.997 ( 5.534 11.436 4.560) 13.498 18.291 ( 0.909 1.924 4.689) 5.150 18.459 ( -1.573 1.458 2.830) 3.551 18.599 ( -1.152 8.049 -1.896) 8.349 18.741 ( 2.286 4.881 4.882) 7.272 19.030 ( 3.608 -2.396 -2.689) 5.098 19.077 ( 4.491 -3.038 2.602) 6.014 19.428 ( -4.625 1.749 3.576) 6.102 19.505 ( -1.832 -0.367 0.189) 1.878 19.846 ( -0.978 0.537 -2.375) 2.624 19.889 ( 2.266 0.413 -0.770) 2.429 19.990 ( -1.612 0.730 2.118) 2.760 20.039 ( 0.555 -0.622 0.901) 1.228 20.465 ( 0.137 0.362 -7.063) 7.074 20.571 ( 8.087 -1.624 0.280) 8.253 20.821 ( 1.046 -3.087 -11.533) 11.984 20.909 ( 9.180 -2.784 7.157) 11.968 21.459 ( 3.604 1.417 0.310) 3.885 21.464 ( 3.156 0.693 -2.237) 3.930 21.673 ( -2.630 0.633 -0.398) 2.734 21.755 ( -1.425 -2.402 0.338) 2.813 21.896 ( -1.358 2.887 0.643) 3.255 21.945 ( -1.525 2.303 -0.448) 2.798 22.202 ( -6.106 0.239 0.234) 6.115 22.330 ( -1.767 0.065 0.331) 1.799 22.572 ( -7.118 -1.726 -0.981) 7.390 22.787 ( -4.299 -10.362 4.748) 12.182 ======================= Grid point 60 (31/78) ======================= q-point: (-0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -14.800 20.394 7.221) 26.212 0.733 ( -19.398 19.136 8.089) 28.424 1.262 ( -16.896 43.965 10.027) 48.155 1.411 ( -10.134 -4.031 2.870) 11.278 1.655 ( -4.012 4.690 -3.328) 7.012 1.698 ( -0.497 5.525 -3.738) 6.690 1.864 ( -0.467 -2.527 0.577) 2.634 1.967 ( -3.268 -9.338 6.321) 11.740 2.102 ( -3.331 1.781 2.038) 4.293 2.187 ( 2.828 -0.820 -0.523) 2.991 2.291 ( -4.545 -9.854 -2.730) 11.190 2.343 ( -3.219 -1.943 -4.811) 6.106 2.373 ( -7.116 -1.721 0.879) 7.374 2.631 ( 1.479 -0.945 0.383) 1.796 2.652 ( 6.344 0.513 -1.101) 6.459 2.752 ( 7.524 -0.351 0.784) 7.573 2.859 ( 7.108 -1.155 0.538) 7.221 2.872 ( 2.468 -0.637 -1.545) 2.980 2.955 ( -3.584 5.934 2.750) 7.458 2.974 ( -2.260 0.161 5.655) 6.092 3.093 ( 3.746 3.149 1.155) 5.028 3.150 ( 0.408 -2.838 -3.374) 4.427 3.203 ( 7.451 -1.582 -0.081) 7.617 3.286 ( 0.625 -1.691 -4.047) 4.430 3.323 ( 0.565 1.200 5.589) 5.744 3.401 ( -0.984 -3.089 6.090) 6.899 3.446 ( 0.733 -1.728 -6.737) 6.993 3.477 ( 0.461 -3.364 -2.987) 4.522 3.495 ( -1.501 -3.542 -2.247) 4.455 3.535 ( -3.213 -1.317 -4.014) 5.308 3.578 ( -2.267 0.483 -0.972) 2.513 3.639 ( -1.268 -0.193 2.789) 3.070 3.652 ( 1.759 -2.469 1.481) 3.374 3.683 ( 1.136 -1.311 -0.831) 1.923 3.702 ( 1.750 3.709 0.386) 4.119 3.808 ( 1.534 -2.386 0.057) 2.837 3.882 ( 0.173 9.960 2.511) 10.273 3.929 ( -1.372 -4.090 0.386) 4.331 4.014 ( -3.096 6.560 -0.174) 7.256 4.043 ( 0.477 3.539 0.248) 3.580 4.086 ( 1.996 0.713 -2.683) 3.419 4.165 ( -1.184 1.445 -0.826) 2.042 4.234 ( -0.990 2.245 0.877) 2.606 4.433 ( -0.936 -13.014 -0.745) 13.069 4.751 ( 0.107 5.518 1.073) 5.623 4.840 ( 2.430 1.761 -4.300) 5.244 4.884 ( 4.299 -0.738 -0.100) 4.363 4.913 ( 5.905 6.651 -7.224) 11.458 4.998 ( 5.192 -1.222 0.902) 5.409 5.058 ( 12.462 -1.416 2.288) 12.750 5.093 ( 12.040 -2.854 -3.059) 12.746 5.232 ( 3.555 -0.170 2.494) 4.346 5.242 ( 3.271 -4.705 -3.036) 6.485 5.395 ( -2.630 -7.454 2.969) 8.444 5.510 ( -1.763 -8.331 -6.208) 10.537 5.582 ( 4.344 -6.878 6.668) 10.519 5.627 ( 3.728 1.882 -4.797) 6.360 5.723 ( -4.857 5.616 -4.838) 8.862 5.742 ( 4.943 1.652 9.403) 10.751 5.851 ( -4.092 2.424 2.065) 5.185 5.905 ( 2.652 1.330 2.471) 3.861 5.964 ( 0.063 1.510 3.938) 4.218 6.015 ( -4.632 1.393 -5.447) 7.285 6.074 ( -3.073 6.671 1.726) 7.545 6.204 ( 0.506 3.444 -0.721) 3.555 6.246 ( -0.606 -0.626 2.257) 2.419 6.288 ( -4.740 0.627 -0.583) 4.817 6.443 ( -5.946 -0.924 -4.068) 7.264 6.492 ( -2.694 -1.238 3.102) 4.291 6.571 ( 1.489 -2.062 -3.261) 4.136 6.719 ( 1.715 0.047 -2.637) 3.146 6.795 ( 5.235 0.371 -5.967) 7.947 6.839 ( 7.294 -2.533 4.114) 8.749 6.971 ( 0.746 -0.669 -3.732) 3.864 7.049 ( 2.319 -1.819 -2.077) 3.606 7.125 ( -0.845 1.989 2.964) 3.669 7.167 ( -2.336 0.404 2.934) 3.772 7.210 ( 0.027 -0.922 -0.238) 0.953 7.274 ( 0.553 3.162 -0.197) 3.216 7.369 ( -1.365 -5.905 0.911) 6.128 7.445 ( -6.915 -4.229 -0.050) 8.106 7.473 ( -4.487 -1.642 -0.480) 4.803 7.568 ( -1.098 -0.120 2.640) 2.861 7.692 ( -5.600 2.873 -2.554) 6.792 7.793 ( 3.062 -0.203 -1.885) 3.602 7.832 ( 2.950 -1.839 -3.091) 4.652 7.914 ( -0.207 2.613 -1.880) 3.226 7.972 ( -5.581 8.940 2.511) 10.834 8.137 ( 1.165 9.962 -1.300) 10.114 8.248 ( -0.712 0.951 -0.013) 1.188 8.454 ( -8.237 -7.586 2.959) 11.582 8.600 ( -4.282 -1.096 1.092) 4.553 8.769 ( 3.033 -3.457 -2.035) 5.029 8.943 ( -3.746 -1.561 0.253) 4.066 9.173 ( 7.733 3.184 -6.196) 10.408 9.232 ( 1.658 0.472 -4.084) 4.433 9.381 ( -1.991 2.876 4.899) 6.020 9.582 ( -8.137 -5.284 4.882) 10.861 9.784 ( 3.423 -1.493 2.548) 4.521 9.825 ( -1.071 0.877 -1.759) 2.238 9.929 ( 2.254 1.665 -2.665) 3.867 9.970 ( 2.594 4.352 0.688) 5.113 10.160 ( 2.421 2.704 -4.678) 5.921 10.227 ( -2.106 -3.479 0.830) 4.150 11.776 ( -0.021 1.665 -0.252) 1.684 11.847 ( 1.406 -0.072 2.876) 3.202 11.948 ( 0.347 -0.751 0.492) 0.963 11.952 ( 0.684 -0.588 1.135) 1.450 13.806 ( -15.319 -10.136 4.196) 18.842 13.883 ( -5.985 -4.166 -0.295) 7.298 14.179 ( 0.279 1.220 -0.410) 1.317 14.377 ( 0.091 -4.251 -0.767) 4.321 14.450 ( -0.451 1.284 -0.501) 1.450 14.554 ( 1.113 -0.330 2.529) 2.783 14.599 ( -1.758 2.718 -1.804) 3.706 14.676 ( -0.045 0.467 -0.291) 0.552 14.705 ( 0.992 0.461 -1.945) 2.232 14.794 ( -0.515 -0.599 -0.439) 0.904 14.824 ( -0.186 -1.757 2.566) 3.116 14.874 ( 2.359 1.758 -1.003) 3.108 14.978 ( 0.435 1.268 -4.108) 4.321 15.158 ( 3.368 -3.434 0.241) 4.816 15.275 ( 5.421 3.039 2.822) 6.826 15.427 ( 4.462 -0.409 -1.770) 4.817 15.636 ( 0.368 2.285 4.689) 5.229 15.639 ( 1.049 0.942 -1.405) 1.991 15.677 ( -5.354 4.969 -5.616) 9.214 15.726 ( -0.370 0.041 0.523) 0.642 15.959 ( 0.381 3.898 4.037) 5.625 16.428 ( 6.562 -4.834 1.732) 8.332 16.669 ( -4.939 -0.410 -0.330) 4.967 16.719 ( -4.142 -0.406 1.098) 4.305 17.114 ( -1.170 0.127 3.068) 3.286 17.130 ( 0.294 1.988 2.837) 3.476 17.171 ( 0.437 1.703 0.947) 1.997 17.264 ( -0.722 3.756 -1.484) 4.103 17.313 ( -3.582 -5.048 2.637) 6.728 17.427 ( 0.425 0.965 0.278) 1.090 17.522 ( 4.394 -2.606 -5.516) 7.518 17.671 ( -0.725 -3.549 3.605) 5.111 17.795 ( -0.024 0.373 0.190) 0.420 18.049 ( -1.707 -4.591 0.098) 4.899 18.406 ( 1.316 3.572 -0.176) 3.811 18.469 ( -0.877 0.549 0.587) 1.190 18.721 ( 22.526 22.759 -10.202) 33.608 18.786 ( 0.997 4.585 -1.478) 4.920 19.113 ( 5.617 -0.042 3.281) 6.506 19.252 ( 7.927 -1.915 7.367) 10.990 19.431 ( -4.216 -0.348 3.191) 5.299 19.473 ( -1.680 0.248 3.393) 3.794 19.823 ( 0.577 0.996 -0.418) 1.224 19.911 ( 3.141 -0.847 0.802) 3.351 20.030 ( 3.230 0.848 7.038) 7.790 20.070 ( 1.532 -0.192 0.898) 1.786 20.367 ( -3.157 -0.581 -8.283) 8.883 20.454 ( 0.308 -0.379 -11.785) 11.795 20.815 ( 3.226 3.379 0.951) 4.767 21.104 ( 5.364 -3.961 3.581) 7.569 21.492 ( 2.913 1.350 -0.762) 3.300 21.530 ( 5.059 2.291 0.371) 5.566 21.625 ( -1.970 1.202 -0.995) 2.513 21.718 ( -1.858 -2.904 -0.748) 3.527 21.891 ( -1.107 4.635 0.330) 4.776 21.921 ( 0.191 1.685 0.026) 1.696 22.120 ( -5.101 -0.832 1.030) 5.270 22.304 ( -1.609 -1.287 -0.147) 2.066 22.462 ( -5.906 -1.779 -0.254) 6.173 22.669 ( -17.622 -15.927 -1.080) 23.778 ======================= Grid point 61 (32/78) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.059 16.224 8.180) 18.425 1.175 ( -2.883 -4.962 4.402) 7.233 1.282 ( -2.324 15.640 16.054) 22.533 1.600 ( -0.862 -8.721 2.258) 9.050 1.680 ( 5.898 1.006 0.601) 6.014 1.798 ( 1.431 -8.616 3.241) 9.316 1.971 ( 2.413 7.013 12.541) 14.570 2.085 ( 0.487 -3.085 8.084) 8.666 2.151 ( 3.517 2.607 4.361) 6.180 2.217 ( 3.858 -1.437 5.758) 7.079 2.323 ( -7.184 17.577 8.749) 20.908 2.371 ( -0.319 0.723 1.412) 1.618 2.457 ( 6.198 15.077 11.222) 19.790 2.652 ( -1.183 6.967 -5.422) 8.907 2.730 ( 0.920 -1.753 -1.283) 2.359 2.801 ( 1.191 2.081 0.062) 2.399 2.832 ( -1.782 -4.917 5.651) 7.700 2.964 ( -0.940 -0.624 -0.311) 1.170 2.975 ( 0.047 -3.925 -5.362) 6.646 3.006 ( -6.053 0.513 3.372) 6.948 3.039 ( -4.885 1.953 5.986) 7.969 3.119 ( 2.244 0.258 -1.256) 2.584 3.161 ( -3.581 -1.086 -3.414) 5.066 3.216 ( -2.822 -16.671 1.821) 17.006 3.235 ( -0.612 -1.793 -5.421) 5.743 3.290 ( 0.771 -5.040 0.880) 5.174 3.334 ( 0.629 2.450 -3.916) 4.662 3.412 ( 0.806 -4.266 3.134) 5.355 3.466 ( -1.435 3.320 -2.915) 4.645 3.557 ( -2.768 -6.613 -0.160) 7.171 3.608 ( 3.274 4.560 2.270) 6.055 3.632 ( 4.458 1.873 -0.551) 4.867 3.658 ( 5.033 -1.356 -0.148) 5.214 3.687 ( -2.060 -2.133 1.307) 3.241 3.734 ( 5.165 -0.309 0.660) 5.217 3.765 ( 0.780 -4.372 -1.692) 4.752 3.874 ( 0.418 3.614 2.638) 4.494 3.977 ( 1.099 -5.850 2.557) 6.478 4.020 ( -0.463 4.545 -4.815) 6.637 4.080 ( -0.906 -1.470 -1.142) 2.070 4.205 ( -1.189 4.544 2.807) 5.472 4.228 ( 0.462 4.855 0.016) 4.877 4.260 ( 2.337 0.442 0.505) 2.432 4.314 ( 1.300 -2.597 0.154) 2.909 4.800 ( -0.303 1.719 1.903) 2.582 4.854 ( 1.245 0.955 -6.897) 7.073 4.872 ( -2.323 2.869 -5.322) 6.477 4.898 ( -0.705 0.363 -9.870) 9.902 4.980 ( -0.113 -5.866 -9.920) 11.525 5.004 ( -5.038 -7.589 -11.425) 14.612 5.072 ( 1.288 8.310 -1.678) 8.575 5.147 ( -1.382 2.750 2.696) 4.091 5.254 ( 1.272 -1.050 0.952) 1.904 5.329 ( -0.536 4.097 1.542) 4.410 5.432 ( 0.475 -11.119 1.623) 11.247 5.490 ( -1.764 -9.901 0.511) 10.070 5.640 ( 0.715 5.559 -2.012) 5.955 5.719 ( 4.625 1.035 -1.393) 4.939 5.785 ( -1.470 -3.246 -1.196) 3.759 5.793 ( -0.643 -2.038 -5.317) 5.731 5.981 ( 1.760 2.578 2.540) 4.025 6.012 ( 0.632 -0.195 2.237) 2.333 6.065 ( -1.729 4.726 2.786) 5.752 6.149 ( -4.085 -3.135 2.725) 5.826 6.200 ( -0.259 6.651 -2.977) 7.292 6.242 ( -1.770 5.947 -4.069) 7.420 6.293 ( -1.343 -2.375 -6.539) 7.085 6.389 ( -2.859 -8.522 -4.382) 10.000 6.441 ( -2.266 6.599 2.276) 7.339 6.516 ( 2.897 -1.228 3.670) 4.835 6.761 ( 3.285 0.846 -0.437) 3.420 6.842 ( 0.666 -6.906 4.840) 8.459 6.912 ( 3.659 5.055 2.207) 6.619 6.968 ( -0.373 -2.429 -3.004) 3.881 7.027 ( 1.894 4.430 -1.104) 4.943 7.109 ( 4.869 -0.580 -3.128) 5.816 7.151 ( -2.889 -1.424 2.712) 4.211 7.209 ( -1.966 -3.666 -0.600) 4.203 7.283 ( -1.147 0.168 6.132) 6.241 7.325 ( -5.363 -3.009 4.886) 7.854 7.404 ( 0.826 3.708 0.906) 3.906 7.432 ( 1.296 -0.135 2.184) 2.543 7.539 ( -0.477 0.820 1.072) 1.432 7.609 ( 2.295 -6.059 0.879) 6.539 7.799 ( 1.659 1.531 -5.337) 5.794 7.834 ( 4.019 -1.553 -4.656) 6.344 7.962 ( 1.597 4.587 -1.457) 5.070 8.009 ( -1.908 0.479 -0.928) 2.175 8.297 ( -0.450 5.987 1.746) 6.253 8.340 ( 2.099 5.077 1.529) 5.702 8.399 ( -2.357 1.503 2.678) 3.871 8.496 ( -0.823 -4.805 -1.043) 4.985 8.783 ( 3.741 0.012 -0.625) 3.793 8.827 ( 0.285 -4.028 0.401) 4.058 9.169 ( -1.485 4.073 -9.349) 10.305 9.202 ( 2.053 0.654 -7.911) 8.200 9.369 ( -6.692 -0.024 0.420) 6.705 9.397 ( -5.506 -2.883 0.766) 6.262 9.860 ( -1.090 2.761 4.130) 5.086 9.880 ( 1.964 4.430 -0.610) 4.884 9.949 ( -0.859 -1.773 -0.461) 2.023 10.000 ( 1.783 -2.570 -4.860) 5.779 10.113 ( -0.055 1.864 -0.234) 1.880 10.180 ( 1.215 -3.575 1.349) 4.010 11.828 ( 0.522 2.391 1.415) 2.827 11.873 ( 0.647 -2.409 1.848) 3.105 11.949 ( -0.217 0.124 1.078) 1.107 11.965 ( -0.263 -1.412 1.899) 2.381 13.688 ( -1.596 4.161 1.258) 4.631 13.769 ( -0.119 -4.114 0.018) 4.116 14.213 ( 0.378 2.535 -0.519) 2.615 14.281 ( 0.347 -4.536 -1.126) 4.686 14.449 ( -0.702 2.392 -2.593) 3.598 14.493 ( -1.521 -2.016 -3.073) 3.978 14.689 ( 1.201 3.010 2.296) 3.972 14.719 ( 0.338 0.924 1.705) 1.968 14.761 ( -0.329 -0.782 3.163) 3.274 14.774 ( 1.969 -1.716 3.841) 4.645 14.845 ( -1.161 0.334 0.963) 1.545 14.878 ( 1.862 -2.097 2.268) 3.606 15.050 ( 2.030 3.799 1.688) 4.626 15.125 ( 1.302 -4.348 1.911) 4.925 15.362 ( -0.625 2.109 -0.719) 2.314 15.411 ( -0.024 -2.694 -1.332) 3.005 15.612 ( -0.428 1.745 -2.267) 2.893 15.637 ( 0.723 -0.824 -0.992) 1.479 15.704 ( -1.041 0.907 -1.611) 2.122 15.721 ( 1.569 -0.578 -0.651) 1.794 16.207 ( 0.774 7.163 9.659) 12.050 16.364 ( -0.013 -8.850 5.150) 10.239 16.632 ( -1.134 2.098 -0.733) 2.495 16.666 ( -1.778 -1.427 0.214) 2.290 17.116 ( -1.977 0.443 -0.250) 2.042 17.128 ( -3.682 -0.919 1.068) 3.942 17.256 ( -0.261 3.613 2.777) 4.565 17.294 ( 1.540 5.225 -3.731) 6.602 17.314 ( 0.365 -1.988 3.011) 3.626 17.387 ( 1.369 -4.212 -3.693) 5.766 17.562 ( 2.168 3.800 1.632) 4.670 17.636 ( 0.193 -3.654 3.238) 4.886 17.830 ( 0.189 1.276 2.124) 2.485 17.895 ( -0.298 -5.589 -0.695) 5.640 18.432 ( -0.649 1.210 -2.246) 2.632 18.440 ( -1.555 0.342 -3.076) 3.464 18.803 ( 0.481 3.832 -9.100) 9.886 18.831 ( 2.206 1.899 -15.043) 15.322 19.201 ( -4.573 1.379 -2.250) 5.280 19.214 ( -9.350 0.057 -3.354) 9.934 19.399 ( 1.846 2.491 2.458) 3.957 19.437 ( 2.241 -1.309 1.572) 3.034 19.882 ( 0.616 3.476 1.440) 3.812 19.940 ( 0.547 -2.009 1.794) 2.748 20.030 ( -2.700 -0.311 -2.258) 3.533 20.038 ( -1.751 -1.019 -2.868) 3.511 20.474 ( 6.418 2.797 6.388) 9.478 20.572 ( 8.908 -8.159 9.546) 15.397 20.914 ( -1.520 5.368 -1.881) 5.888 21.026 ( -3.925 -6.263 -1.930) 7.639 21.543 ( 0.255 0.938 0.378) 1.043 21.562 ( -0.562 -1.046 -0.517) 1.295 21.669 ( 2.613 1.788 1.124) 3.360 21.700 ( 2.847 -1.177 -0.565) 3.132 21.938 ( -0.895 2.176 -1.074) 2.586 21.957 ( 1.236 0.843 -1.166) 1.897 22.073 ( -2.428 1.505 1.686) 3.317 22.142 ( -3.696 -4.976 1.257) 6.324 22.407 ( 0.760 1.922 -0.064) 2.068 22.437 ( 0.482 -1.336 -0.496) 1.505 ======================= Grid point 62 (33/78) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 11.147 9.296 6.795) 16.027 1.247 ( 5.591 -4.885 2.634) 7.878 1.512 ( 5.807 12.811 10.382) 17.483 1.664 ( 6.152 -4.087 3.906) 8.355 1.823 ( 8.533 2.584 1.791) 9.094 1.942 ( 3.274 -7.973 11.676) 14.512 2.184 ( 2.361 7.223 9.781) 12.386 2.194 ( 1.710 8.292 4.052) 9.386 2.289 ( 1.958 0.692 0.879) 2.255 2.321 ( -6.765 1.797 8.017) 10.643 2.363 ( 2.415 -4.323 4.226) 6.510 2.402 ( 2.520 -7.323 2.004) 7.999 2.529 ( -0.857 7.968 -5.611) 9.783 2.629 ( -2.016 2.936 -1.192) 3.755 2.692 ( -3.956 1.566 0.637) 4.302 2.777 ( -2.512 -3.063 2.075) 4.473 2.828 ( -7.838 5.520 -1.501) 9.703 2.898 ( -7.494 3.440 2.645) 8.660 2.938 ( 0.230 1.417 7.927) 8.056 2.967 ( -1.231 -5.237 2.564) 5.960 3.077 ( 2.789 3.749 5.962) 7.575 3.105 ( -3.186 3.957 -1.191) 5.218 3.144 ( -3.069 1.781 -2.181) 4.165 3.162 ( 2.156 1.050 7.088) 7.483 3.254 ( -1.574 -8.800 3.698) 9.674 3.301 ( -1.075 3.591 -1.746) 4.135 3.360 ( 3.400 -2.881 8.546) 9.638 3.382 ( -1.835 -4.898 -1.103) 5.345 3.516 ( 0.412 -0.745 1.069) 1.367 3.530 ( 1.782 -4.343 0.560) 4.728 3.574 ( -3.510 -1.596 1.444) 4.117 3.644 ( -1.339 -3.441 -2.096) 4.246 3.690 ( 4.278 1.143 -0.773) 4.495 3.717 ( 4.608 -0.565 -3.188) 5.631 3.812 ( 2.070 3.823 -1.937) 4.760 3.877 ( 3.101 -0.429 1.483) 3.464 3.924 ( 0.344 0.002 3.965) 3.980 3.990 ( 5.877 2.603 -2.931) 7.064 4.014 ( 1.655 -7.504 0.591) 7.707 4.054 ( 2.795 -4.128 -0.375) 5.000 4.189 ( 0.994 4.263 -3.724) 5.747 4.256 ( -0.055 7.547 1.935) 7.792 4.286 ( 0.006 -3.729 0.424) 3.753 4.385 ( 5.140 -5.777 -0.228) 7.736 4.612 ( 0.194 9.402 -17.855) 20.180 4.708 ( -5.412 2.712 -5.884) 8.442 4.742 ( -4.761 -3.252 -10.927) 12.355 4.810 ( -4.555 -2.229 -3.857) 6.371 4.849 ( -2.991 -1.775 -1.047) 3.632 4.884 ( -0.024 -2.240 -3.185) 3.894 5.039 ( -3.441 2.182 -0.545) 4.111 5.120 ( -5.581 -3.851 -0.322) 6.788 5.207 ( -1.733 9.397 -5.135) 10.847 5.304 ( 1.545 5.080 2.548) 5.889 5.410 ( -7.883 -7.113 3.450) 11.165 5.463 ( -0.553 -11.966 -0.231) 11.981 5.628 ( -2.026 1.216 -4.814) 5.363 5.664 ( -2.918 -1.085 -3.937) 5.019 5.780 ( 4.365 0.014 1.667) 4.673 5.795 ( -3.372 -1.241 2.176) 4.201 6.005 ( -2.384 1.725 -1.755) 3.426 6.018 ( -4.819 3.999 1.132) 6.363 6.045 ( -5.461 -2.249 -0.462) 5.924 6.065 ( -2.173 -1.468 0.303) 2.640 6.158 ( 1.058 4.310 -3.143) 5.438 6.205 ( 1.370 -0.168 -1.445) 1.998 6.243 ( 0.369 1.988 -0.506) 2.084 6.311 ( -0.344 -6.347 -2.831) 6.958 6.448 ( 0.975 7.737 2.865) 8.307 6.617 ( 1.658 -9.523 3.751) 10.369 6.767 ( -0.041 7.573 -4.166) 8.644 6.853 ( -2.887 -1.635 -0.323) 3.334 6.912 ( -1.249 -0.836 -0.914) 1.759 6.979 ( 0.021 -7.096 0.537) 7.116 7.050 ( 2.660 6.855 0.462) 7.368 7.125 ( 2.122 3.973 -1.999) 4.928 7.167 ( -0.019 -3.592 2.399) 4.319 7.196 ( -2.249 -0.319 2.849) 3.644 7.302 ( -5.204 0.584 4.256) 6.748 7.371 ( 3.187 -4.798 2.069) 6.120 7.434 ( 2.821 1.873 -1.863) 3.865 7.472 ( 1.793 -2.552 -1.021) 3.282 7.592 ( 4.661 3.636 1.007) 5.997 7.675 ( 3.451 -3.835 -0.352) 5.171 7.765 ( 1.052 3.584 -0.799) 3.820 7.822 ( -0.026 -0.901 -0.624) 1.097 8.002 ( 6.432 2.451 -2.911) 7.473 8.033 ( 7.342 -1.096 -0.700) 7.456 8.295 ( -4.002 6.152 2.600) 7.786 8.345 ( -1.534 7.549 -1.327) 7.817 8.400 ( -5.239 -3.128 4.826) 7.779 8.480 ( 0.325 -4.910 -1.583) 5.169 8.858 ( 6.436 0.961 -2.645) 7.024 8.882 ( 12.171 0.459 -7.226) 14.162 9.040 ( -0.750 3.703 -1.963) 4.258 9.103 ( -0.849 -2.303 -5.393) 5.926 9.326 ( -0.432 0.917 4.763) 4.869 9.385 ( -1.555 -4.648 3.882) 6.252 9.818 ( 0.758 8.113 -6.040) 10.143 9.869 ( -2.084 3.912 1.436) 4.659 9.961 ( 1.155 -4.283 -3.105) 5.414 10.003 ( -1.885 -6.262 5.461) 8.520 10.127 ( 2.320 4.710 -0.978) 5.341 10.217 ( 1.506 -3.974 0.529) 4.282 11.856 ( 0.031 2.000 1.669) 2.605 11.892 ( -0.610 -1.477 0.543) 1.688 11.953 ( -1.277 -0.215 1.272) 1.815 11.971 ( -1.722 -1.647 1.180) 2.659 13.722 ( 3.192 4.161 1.074) 5.353 13.799 ( 3.890 -3.653 -0.436) 5.354 14.219 ( 0.899 1.249 -0.157) 1.547 14.267 ( 0.471 -3.759 -2.027) 4.296 14.415 ( -0.410 1.553 -1.130) 1.964 14.437 ( -0.625 -0.469 -1.795) 1.957 14.732 ( 0.350 1.353 1.644) 2.157 14.746 ( 0.018 1.481 1.966) 2.461 14.785 ( -1.415 -1.328 3.041) 3.608 14.795 ( -2.113 -3.707 0.118) 4.269 14.888 ( 2.026 3.357 3.253) 5.095 14.944 ( 1.183 -2.321 2.132) 3.366 15.099 ( 2.432 3.261 0.276) 4.077 15.149 ( 1.157 -2.178 -1.424) 2.848 15.302 ( -5.197 2.357 -0.332) 5.716 15.358 ( -5.280 -3.411 -0.326) 6.294 15.561 ( -2.775 2.876 -1.653) 4.324 15.616 ( -1.438 -2.960 -1.498) 3.615 15.720 ( 5.060 2.592 0.115) 5.687 15.786 ( 7.024 -4.307 -0.290) 8.244 16.343 ( -1.330 3.447 10.461) 11.094 16.407 ( -4.077 -2.349 5.783) 7.455 16.627 ( 1.967 0.574 -1.788) 2.720 16.649 ( 0.807 -1.354 -1.799) 2.392 17.076 ( -3.011 -0.143 -0.074) 3.016 17.080 ( -1.571 -0.694 -0.344) 1.752 17.267 ( 0.087 4.805 -2.640) 5.483 17.296 ( 0.001 3.655 3.416) 5.003 17.351 ( -0.253 -3.501 -2.217) 4.152 17.368 ( 1.090 -3.461 2.444) 4.375 17.621 ( 1.846 4.458 2.022) 5.231 17.678 ( -0.276 -0.996 2.941) 3.117 17.888 ( 1.188 -2.066 3.754) 4.447 17.895 ( 0.387 -3.490 0.765) 3.593 18.295 ( -4.730 5.738 -10.477) 12.848 18.356 ( -1.820 -1.448 -7.165) 7.533 18.671 ( 0.950 4.192 -6.141) 7.495 18.690 ( 0.305 1.972 -6.866) 7.150 19.115 ( -3.098 0.200 2.453) 3.957 19.128 ( -2.849 -0.915 1.669) 3.426 19.436 ( -0.649 2.289 1.203) 2.666 19.469 ( -0.277 -1.116 0.168) 1.162 19.916 ( 0.524 1.928 2.159) 2.942 19.940 ( -2.173 -0.545 0.130) 2.244 19.979 ( -0.194 1.458 -0.474) 1.545 19.999 ( -0.010 -0.797 -1.000) 1.278 20.616 ( -1.900 1.454 2.377) 3.373 20.632 ( -5.858 0.279 -1.168) 5.980 20.868 ( -8.002 -1.722 -2.900) 8.684 20.922 ( 0.179 -7.819 4.177) 8.866 21.541 ( -1.539 0.945 0.405) 1.850 21.554 ( -0.568 -0.551 0.854) 1.164 21.694 ( -0.954 0.506 0.105) 1.085 21.704 ( -0.767 -0.410 -0.563) 1.037 21.916 ( 0.697 3.503 -1.319) 3.808 21.959 ( 1.162 -0.291 -1.009) 1.566 22.115 ( 5.018 1.529 1.128) 5.366 22.179 ( 5.396 -4.589 0.523) 7.103 22.462 ( 5.702 1.406 -0.257) 5.878 22.495 ( 6.699 -1.865 -0.556) 6.976 ======================= Grid point 63 (34/78) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 9.797 1.269 -1.103) 9.941 1.386 ( 14.942 1.006 1.600) 15.061 1.692 ( 7.764 11.315 2.705) 13.987 1.839 ( 10.394 -4.109 -2.515) 11.456 2.018 ( 6.545 4.860 8.320) 11.648 2.089 ( -0.432 0.881 -3.322) 3.464 2.204 ( -1.719 7.306 0.890) 7.558 2.227 ( -3.153 -0.586 8.280) 8.879 2.288 ( -5.385 -3.178 5.784) 8.518 2.302 ( -1.468 2.016 -5.591) 6.122 2.388 ( -1.449 -1.838 -0.557) 2.406 2.408 ( -2.204 -2.293 5.332) 6.209 2.539 ( 1.557 2.999 1.070) 3.545 2.548 ( -0.001 3.542 -4.080) 5.403 2.685 ( -1.904 -0.707 3.733) 4.250 2.720 ( -3.179 -2.494 2.414) 4.707 2.753 ( -0.858 0.327 1.852) 2.067 2.866 ( -1.510 -5.106 -5.096) 7.370 2.960 ( -1.131 -3.729 3.809) 5.449 2.983 ( -2.346 -3.266 4.143) 5.774 3.043 ( -2.850 5.442 -1.957) 6.447 3.134 ( -5.758 3.159 2.423) 7.000 3.189 ( -2.308 1.652 3.573) 4.563 3.225 ( -4.345 -3.354 -3.942) 6.758 3.263 ( -0.000 -0.820 2.021) 2.181 3.324 ( 0.624 4.910 13.928) 14.781 3.415 ( -2.604 -2.576 -1.196) 3.853 3.459 ( 2.338 4.298 3.166) 5.828 3.516 ( -4.386 4.605 -2.287) 6.759 3.572 ( 1.942 -1.790 1.211) 2.906 3.609 ( 2.252 -1.395 1.530) 3.059 3.629 ( 5.238 -2.116 6.824) 8.859 3.722 ( -0.628 2.051 -1.609) 2.681 3.748 ( 4.029 4.564 0.435) 6.103 3.822 ( 2.507 -3.074 -0.819) 4.050 3.900 ( 3.463 -7.365 0.849) 8.182 3.949 ( 1.660 3.992 -3.917) 5.834 4.036 ( 2.844 0.195 -2.723) 3.942 4.054 ( 2.739 -0.157 0.393) 2.772 4.139 ( 4.877 -1.970 -4.449) 6.889 4.169 ( 2.829 2.189 -2.088) 4.142 4.245 ( -1.327 -2.830 -0.952) 3.267 4.289 ( 2.771 4.953 -1.971) 6.008 4.393 ( 3.683 3.315 -8.059) 9.460 4.488 ( 1.580 -5.762 -1.431) 6.143 4.549 ( -1.662 -6.255 -7.769) 10.112 4.637 ( -1.212 1.938 3.861) 4.487 4.688 ( -2.995 -1.712 -0.442) 3.478 4.788 ( -4.163 1.992 -0.902) 4.702 4.836 ( -1.048 -2.070 -1.181) 2.603 4.972 ( -3.848 2.098 0.618) 4.426 5.055 ( -5.268 -2.146 2.029) 6.039 5.137 ( -1.381 4.850 -2.212) 5.506 5.290 ( -7.822 -1.607 -1.920) 8.213 5.346 ( -1.971 -1.182 0.814) 2.438 5.406 ( -5.022 -11.831 -1.870) 12.988 5.558 ( -1.891 2.746 0.822) 3.434 5.629 ( 0.347 -4.314 0.502) 4.357 5.748 ( -3.687 4.898 -0.487) 6.150 5.821 ( -1.467 -2.501 -2.586) 3.885 5.910 ( -2.713 5.079 0.875) 5.824 5.956 ( -3.999 0.554 0.425) 4.060 5.999 ( -4.870 -1.329 0.810) 5.112 6.028 ( -1.107 -4.163 6.457) 7.762 6.147 ( 1.456 2.992 -3.127) 4.566 6.201 ( -0.038 -0.689 -1.500) 1.651 6.251 ( -0.532 3.314 2.425) 4.141 6.294 ( 0.538 -1.685 -1.403) 2.257 6.520 ( 2.112 3.586 -0.875) 4.252 6.623 ( -0.794 -6.967 -4.186) 8.166 6.655 ( -1.105 7.836 -4.958) 9.339 6.774 ( -3.580 -4.149 -1.960) 5.820 6.944 ( 0.109 -0.909 6.092) 6.160 6.981 ( -2.629 -3.228 3.410) 5.381 7.099 ( 0.711 0.188 -1.697) 1.850 7.104 ( 2.124 3.030 -2.886) 4.693 7.177 ( -1.289 -0.765 0.261) 1.521 7.196 ( -2.436 0.575 1.977) 3.190 7.292 ( -0.995 3.787 0.841) 4.005 7.391 ( 1.866 -3.750 -4.553) 6.186 7.455 ( 1.819 -1.247 -1.866) 2.889 7.461 ( -0.237 -2.695 0.884) 2.846 7.658 ( 3.116 3.545 0.575) 4.755 7.679 ( 2.062 2.715 -4.010) 5.263 7.820 ( 4.163 2.481 1.405) 5.045 7.861 ( 2.799 -3.122 2.156) 4.715 8.080 ( 8.183 4.249 -2.677) 9.601 8.165 ( 8.361 -3.393 -0.033) 9.023 8.258 ( -4.088 5.372 1.395) 6.893 8.285 ( -4.240 5.851 -0.022) 7.226 8.376 ( -4.217 -3.173 3.261) 6.204 8.440 ( -2.585 -6.538 -1.044) 7.107 8.904 ( 6.340 1.837 -1.867) 6.859 8.955 ( 8.177 -2.399 -6.833) 10.923 9.051 ( 0.277 2.881 0.251) 2.905 9.094 ( 3.166 -1.024 0.400) 3.352 9.448 ( 3.852 1.199 4.590) 6.111 9.500 ( 8.169 -3.176 7.484) 11.525 9.783 ( 1.437 6.092 -1.371) 6.407 9.851 ( 0.262 1.674 -1.532) 2.285 9.930 ( -1.356 0.876 -0.898) 1.847 10.041 ( -2.142 -6.301 5.052) 8.355 10.135 ( 1.542 4.283 -3.017) 5.461 10.226 ( 0.157 -4.214 -1.416) 4.449 11.862 ( -1.250 0.991 0.156) 1.603 11.872 ( -1.326 0.192 -0.398) 1.398 11.940 ( -2.280 -0.262 0.759) 2.417 11.955 ( -1.530 -1.525 0.625) 2.249 13.797 ( 4.219 3.811 1.142) 5.799 13.869 ( 5.802 -3.594 -0.254) 6.829 14.218 ( -0.701 -0.598 -0.976) 1.343 14.238 ( -0.598 -2.706 -2.023) 3.431 14.418 ( 1.920 2.764 0.866) 3.475 14.450 ( 2.564 -0.440 1.227) 2.876 14.726 ( -3.223 -0.230 0.394) 3.255 14.740 ( -3.601 -1.025 -0.323) 3.758 14.773 ( 0.873 1.834 0.464) 2.084 14.817 ( 0.966 -1.956 1.433) 2.611 14.927 ( -0.497 2.100 -0.478) 2.210 14.966 ( -0.009 -2.020 0.659) 2.125 15.107 ( -0.175 0.908 -3.561) 3.679 15.112 ( -1.143 0.902 -3.709) 3.984 15.237 ( -3.601 0.216 2.457) 4.365 15.267 ( -5.702 -2.620 1.349) 6.419 15.522 ( -0.563 3.341 0.322) 3.404 15.591 ( 0.110 -3.815 -0.337) 3.832 15.813 ( 5.254 2.884 0.571) 6.021 15.886 ( 5.847 -4.635 -0.769) 7.501 16.384 ( -4.400 5.679 2.105) 7.487 16.451 ( -2.373 -1.196 7.897) 8.332 16.605 ( 0.571 1.986 -3.666) 4.209 16.658 ( 2.195 -3.295 -0.562) 3.999 17.051 ( -1.407 0.802 1.602) 2.278 17.074 ( -0.296 -1.796 1.471) 2.340 17.231 ( -0.824 3.811 -1.538) 4.191 17.299 ( -1.136 -3.034 -1.766) 3.690 17.355 ( 0.889 3.174 2.371) 4.061 17.417 ( 1.006 -2.711 1.771) 3.391 17.642 ( 1.348 5.317 -3.168) 6.334 17.709 ( -1.161 0.277 3.189) 3.405 17.878 ( -0.573 1.954 -2.254) 3.038 17.970 ( -1.327 -6.207 6.022) 8.749 18.133 ( -1.866 4.261 -3.471) 5.804 18.218 ( -1.939 -4.081 -5.907) 7.437 18.654 ( 2.616 3.567 -1.803) 4.777 18.683 ( 4.354 0.756 -1.139) 4.564 19.117 ( -3.535 1.388 3.544) 5.195 19.152 ( -1.137 -2.078 4.542) 5.122 19.437 ( 1.191 1.317 0.116) 1.779 19.460 ( 1.060 -1.007 -0.522) 1.553 19.887 ( -3.348 2.457 -1.600) 4.450 19.922 ( -2.297 -1.327 -0.519) 2.703 19.990 ( 1.413 1.803 0.186) 2.298 20.023 ( 2.456 -1.124 1.255) 2.978 20.413 ( -10.501 2.140 -4.888) 11.779 20.483 ( -12.259 -5.045 -5.013) 14.173 20.821 ( -0.341 6.364 2.620) 6.891 20.964 ( -1.714 -8.662 3.084) 9.354 21.509 ( -3.197 2.360 0.394) 3.993 21.544 ( -2.862 -1.313 1.100) 3.336 21.675 ( 0.220 0.252 -1.007) 1.061 21.685 ( 0.235 -0.779 -0.957) 1.256 21.924 ( 1.794 3.185 -0.646) 3.712 21.968 ( 1.174 -0.874 -0.447) 1.531 22.224 ( 6.650 2.132 0.580) 7.007 22.277 ( 5.632 -2.717 0.415) 6.267 22.555 ( 6.294 0.673 -0.494) 6.349 22.595 ( 6.241 -3.002 -0.039) 6.925 ======================= Grid point 64 (35/78) ======================= q-point: ( 0.38 0.40 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 11.074 5.236 -0.411) 12.257 1.589 ( 10.712 -1.284 -0.079) 10.789 1.812 ( 4.749 9.006 -0.745) 10.209 1.910 ( 0.323 -0.894 -1.210) 1.539 1.973 ( 3.219 5.463 -5.412) 8.336 2.074 ( 0.750 -4.218 -3.657) 5.632 2.169 ( 1.177 4.945 -8.482) 9.889 2.202 ( -4.824 7.313 2.762) 9.186 2.256 ( -4.291 -5.013 -0.432) 6.613 2.358 ( -4.596 -6.320 4.201) 8.872 2.410 ( 4.486 5.855 3.153) 8.022 2.496 ( 0.022 5.490 6.436) 8.459 2.535 ( 1.663 -3.416 -1.350) 4.032 2.567 ( -1.278 5.578 4.400) 7.219 2.662 ( -5.568 -0.144 1.450) 5.755 2.714 ( -4.899 1.568 1.911) 5.487 2.775 ( 3.213 -5.563 -5.603) 8.524 2.810 ( 3.169 -9.955 -1.397) 10.540 2.943 ( -2.056 7.183 -2.113) 7.765 2.977 ( 1.494 -0.924 -0.961) 2.002 3.005 ( 0.467 -2.794 0.061) 2.834 3.042 ( -4.039 4.493 -4.240) 7.381 3.130 ( -3.420 -0.184 3.335) 4.780 3.195 ( 0.854 -7.997 3.022) 8.592 3.281 ( -1.795 -0.954 -4.085) 4.563 3.292 ( -4.480 -0.198 -5.744) 7.287 3.394 ( -3.480 1.020 -0.051) 3.627 3.471 ( -2.780 0.032 2.288) 3.601 3.502 ( 0.405 0.616 2.591) 2.694 3.586 ( -1.540 -1.716 -1.319) 2.656 3.653 ( 1.175 6.695 1.030) 6.875 3.681 ( -1.348 4.011 0.747) 4.296 3.766 ( 1.177 -2.149 0.264) 2.465 3.786 ( 0.520 -2.584 -2.961) 3.964 3.842 ( 6.728 4.149 -0.568) 7.925 3.905 ( 2.785 1.391 -4.533) 5.499 3.977 ( 1.068 0.325 -2.625) 2.853 4.014 ( 1.670 -3.766 -2.073) 4.612 4.056 ( 1.783 1.351 -1.605) 2.753 4.127 ( 1.376 -3.937 -3.676) 5.560 4.204 ( -0.751 0.429 1.512) 1.741 4.220 ( 0.077 -1.192 5.449) 5.578 4.364 ( 5.024 4.052 -5.673) 8.593 4.403 ( 8.861 8.317 0.524) 12.164 4.456 ( 3.174 -3.748 -4.041) 6.360 4.516 ( 0.937 -4.112 -2.195) 4.755 4.655 ( -5.863 3.332 0.940) 6.809 4.697 ( -5.917 4.753 1.928) 7.830 4.833 ( 1.781 -9.588 0.544) 9.768 4.845 ( 3.859 -7.456 12.129) 14.751 4.934 ( -2.566 2.667 0.734) 3.773 4.993 ( -2.547 1.677 -1.139) 3.255 5.101 ( -0.846 -2.079 1.611) 2.763 5.178 ( -0.374 -3.168 -2.061) 3.798 5.248 ( -9.631 -0.064 -2.334) 9.911 5.318 ( -6.431 -6.766 0.589) 9.354 5.534 ( -2.539 3.024 0.963) 4.064 5.595 ( -2.741 -2.570 0.869) 3.856 5.724 ( 1.176 0.323 -0.478) 1.310 5.757 ( 0.131 -3.213 -1.481) 3.540 5.882 ( -1.201 2.888 1.898) 3.658 5.944 ( -3.622 -2.827 -0.215) 4.599 6.018 ( -0.153 7.788 7.659) 10.924 6.113 ( -3.815 1.001 5.042) 6.401 6.139 ( -0.429 -1.898 3.966) 4.417 6.177 ( -2.852 -1.073 1.782) 3.530 6.286 ( 1.776 1.401 2.754) 3.564 6.293 ( 0.417 1.512 2.400) 2.867 6.480 ( 1.295 0.724 -4.697) 4.925 6.540 ( 0.619 -4.439 -4.779) 6.552 6.640 ( 1.178 6.416 -0.501) 6.543 6.743 ( -0.478 -3.241 0.569) 3.325 6.941 ( -2.818 1.132 -3.123) 4.356 6.991 ( -3.236 -3.446 -2.918) 5.555 7.053 ( 0.168 2.871 1.620) 3.301 7.105 ( 1.009 4.097 -6.156) 7.464 7.142 ( -0.489 -6.865 3.392) 7.673 7.173 ( 1.384 -1.628 -5.267) 5.684 7.309 ( -1.276 4.715 5.569) 7.408 7.401 ( 0.541 -3.425 4.719) 5.856 7.442 ( 0.751 0.759 -1.597) 1.921 7.492 ( 0.413 -4.303 1.198) 4.486 7.675 ( 3.607 7.186 -2.349) 8.376 7.708 ( 1.653 3.076 0.795) 3.582 7.883 ( 3.988 0.090 -1.589) 4.294 7.929 ( 3.145 -4.268 0.451) 5.321 8.145 ( 2.334 4.089 -2.778) 5.467 8.193 ( -2.179 1.457 -3.130) 4.083 8.223 ( 0.243 5.693 0.369) 5.711 8.285 ( 1.586 0.829 2.370) 2.970 8.365 ( -1.110 -5.621 0.919) 5.803 8.401 ( -3.600 -5.672 3.328) 7.497 8.974 ( 3.076 1.912 -1.153) 3.801 9.008 ( 5.892 -2.255 -0.660) 6.344 9.053 ( -0.297 2.020 0.730) 2.168 9.129 ( 0.694 -4.844 0.168) 4.896 9.560 ( 5.053 7.172 -0.261) 8.777 9.685 ( 5.224 -4.874 0.453) 7.159 9.816 ( 1.420 2.487 1.000) 3.033 9.864 ( 2.657 -0.074 2.696) 3.786 9.892 ( -2.976 7.693 -0.765) 8.284 10.060 ( -1.569 -7.565 -1.784) 7.929 10.101 ( 0.073 5.032 -0.004) 5.032 10.198 ( -0.174 -4.653 -1.116) 4.788 11.834 ( -0.757 1.137 -0.848) 1.608 11.849 ( -1.086 -0.230 -0.349) 1.163 11.915 ( -1.634 0.671 0.329) 1.796 11.940 ( -0.998 -1.678 0.124) 1.956 13.874 ( 2.599 4.319 2.081) 5.453 13.967 ( 5.318 -5.307 1.433) 7.649 14.186 ( -1.365 -0.320 -0.421) 1.464 14.203 ( -0.902 -2.212 -0.652) 2.477 14.484 ( 3.178 3.654 1.384) 5.037 14.533 ( 4.226 -0.169 2.572) 4.950 14.642 ( -4.551 -0.329 -2.629) 5.266 14.685 ( -3.109 -3.418 -0.617) 4.661 14.790 ( 1.114 3.828 -0.440) 4.012 14.839 ( 1.304 -0.052 -0.924) 1.599 14.885 ( -1.394 1.187 -1.966) 2.687 14.948 ( -0.902 -4.330 -1.540) 4.684 15.022 ( -2.240 2.318 -2.717) 4.216 15.065 ( -0.794 -1.846 -1.260) 2.372 15.228 ( -1.778 0.196 1.551) 2.368 15.243 ( -1.547 -1.026 1.939) 2.684 15.535 ( 0.081 2.742 1.121) 2.964 15.602 ( 0.436 -4.100 0.701) 4.182 15.876 ( 2.917 2.623 -1.200) 4.103 15.934 ( 3.346 -3.441 -2.419) 5.374 16.324 ( -2.048 8.535 -2.860) 9.232 16.446 ( -1.603 -4.257 -4.426) 6.347 16.615 ( -0.328 4.452 5.579) 7.145 16.695 ( 0.611 -3.750 2.670) 4.644 17.065 ( -1.037 1.501 2.526) 3.116 17.096 ( -0.642 -1.774 2.013) 2.759 17.209 ( -0.319 2.539 -0.090) 2.560 17.262 ( -0.468 -2.861 -1.212) 3.142 17.387 ( 0.049 3.428 0.458) 3.459 17.438 ( 0.534 -1.722 -0.425) 1.853 17.597 ( 1.792 7.455 -6.047) 9.765 17.713 ( -0.824 -2.350 -0.404) 2.523 17.847 ( 0.193 4.151 -0.630) 4.203 17.983 ( -2.527 -7.938 1.971) 8.560 18.119 ( -0.282 2.161 2.364) 3.215 18.189 ( -2.180 -4.530 4.359) 6.654 18.687 ( 2.994 5.009 -0.468) 5.854 18.754 ( 5.347 -1.681 -0.205) 5.609 19.062 ( -6.877 4.943 0.330) 8.475 19.154 ( -4.050 -4.160 0.781) 5.858 19.508 ( 5.114 1.146 1.890) 5.571 19.532 ( 5.818 -1.416 2.433) 6.464 19.796 ( -4.255 2.166 -1.846) 5.119 19.837 ( -4.865 -2.118 -2.288) 5.779 20.027 ( 2.393 1.728 0.592) 3.011 20.074 ( 2.058 -3.019 0.545) 3.694 20.233 ( -5.547 1.560 -1.364) 5.921 20.265 ( -7.182 -1.731 -2.677) 7.858 20.838 ( -1.093 5.449 0.751) 5.608 20.958 ( -1.962 -7.057 0.452) 7.339 21.463 ( -2.236 2.772 -0.661) 3.622 21.502 ( -2.301 -1.359 -0.826) 2.797 21.680 ( 0.860 0.259 0.326) 0.955 21.691 ( 0.663 -1.076 0.475) 1.350 21.945 ( 1.488 2.477 -0.285) 2.904 21.979 ( 0.722 -0.808 -0.217) 1.105 22.317 ( 4.323 2.222 0.329) 4.872 22.348 ( 2.625 -0.338 0.284) 2.662 22.629 ( 3.824 0.219 -0.325) 3.844 22.676 ( 3.297 -4.276 0.533) 5.426 ======================= Grid point 65 (36/78) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 2.199 5.207 1.391) 5.821 1.701 ( 3.383 3.051 1.209) 4.713 1.846 ( -3.136 6.764 -0.943) 7.515 1.927 ( 6.381 1.439 1.419) 6.693 2.011 ( 1.650 2.909 -4.772) 5.827 2.038 ( 4.431 7.567 -4.402) 9.812 2.059 ( 2.716 -0.352 -7.501) 7.986 2.111 ( -4.831 0.960 -1.921) 5.287 2.191 ( -8.649 -2.888 -11.012) 14.297 2.268 ( 0.336 -9.404 -2.304) 9.688 2.349 ( -4.068 -0.439 -1.719) 4.438 2.418 ( -7.423 -2.985 1.400) 8.122 2.564 ( 0.408 8.326 -0.260) 8.340 2.607 ( -0.319 2.812 1.948) 3.436 2.676 ( -2.101 1.824 -0.255) 2.794 2.715 ( 4.860 -1.260 2.127) 5.453 2.745 ( -0.972 1.588 0.791) 2.023 2.829 ( 0.620 -8.133 -2.594) 8.559 2.879 ( 0.391 3.938 -5.923) 7.123 2.944 ( -0.710 5.272 -3.250) 6.234 3.007 ( 2.197 1.516 -1.980) 3.323 3.086 ( 1.553 -5.913 3.398) 6.994 3.142 ( -2.030 -2.702 -4.226) 5.411 3.175 ( 1.533 0.541 1.832) 2.449 3.187 ( -0.752 -1.514 -3.639) 4.013 3.254 ( 0.455 -7.864 -2.432) 8.244 3.318 ( 0.199 4.219 1.745) 4.571 3.409 ( -3.154 -2.763 -1.906) 4.606 3.527 ( -0.260 0.647 0.238) 0.737 3.582 ( -0.275 -2.739 1.787) 3.282 3.620 ( -0.986 6.908 -1.709) 7.184 3.666 ( 0.376 2.452 -0.044) 2.481 3.740 ( -1.557 -3.932 -2.832) 5.090 3.764 ( 2.858 -3.016 -4.872) 6.403 3.888 ( -3.175 8.598 -0.961) 9.216 3.926 ( 8.211 -0.589 -4.082) 9.189 3.957 ( 0.327 -2.981 -3.699) 4.762 4.017 ( -1.627 0.052 -3.209) 3.598 4.092 ( 2.744 2.631 2.795) 4.719 4.145 ( 2.122 -3.224 2.466) 4.580 4.214 ( -0.511 2.138 -1.258) 2.533 4.235 ( -3.535 -1.064 -0.023) 3.692 4.405 ( 4.781 6.810 -3.697) 9.105 4.431 ( 0.694 3.579 -2.918) 4.670 4.476 ( 4.566 -2.478 -3.662) 6.356 4.525 ( 4.189 -2.450 0.011) 4.853 4.564 ( -2.139 1.155 3.887) 4.584 4.703 ( -4.673 -7.967 2.180) 9.491 4.749 ( -0.925 7.430 1.634) 7.663 4.930 ( -0.576 -1.986 1.309) 2.447 4.940 ( -3.545 -0.224 -0.854) 3.654 4.977 ( -1.754 -0.944 -1.568) 2.535 5.117 ( 0.916 -1.201 -2.022) 2.524 5.140 ( -3.456 -4.567 2.043) 6.081 5.217 ( 0.387 -2.035 0.482) 2.127 5.248 ( 4.987 -7.760 3.436) 9.844 5.548 ( -0.193 3.794 2.792) 4.714 5.641 ( 0.515 -5.006 3.910) 6.373 5.787 ( 0.061 1.101 3.955) 4.106 5.813 ( 4.136 -1.872 7.858) 9.075 5.864 ( -3.159 1.477 1.326) 3.731 5.899 ( -0.559 -2.772 1.440) 3.173 6.026 ( -7.275 7.162 2.044) 10.411 6.100 ( -6.597 -1.276 2.486) 7.165 6.146 ( -0.097 4.036 5.610) 6.912 6.232 ( -0.596 -2.658 5.774) 6.384 6.378 ( 0.600 4.133 7.357) 8.460 6.407 ( 1.348 1.697 8.450) 8.724 6.459 ( 3.288 0.360 -3.295) 4.668 6.513 ( 0.689 -4.061 -1.821) 4.504 6.685 ( 5.308 2.454 0.196) 5.851 6.761 ( 1.053 -1.003 1.804) 2.317 6.822 ( -0.543 -2.400 -8.202) 8.563 6.874 ( -2.119 -5.170 -5.955) 8.166 7.018 ( 2.955 4.817 -6.331) 8.486 7.081 ( 2.151 -0.221 -7.570) 7.873 7.158 ( -1.032 -1.842 5.054) 5.477 7.198 ( -0.653 -4.785 4.006) 6.275 7.357 ( -2.843 7.798 2.497) 8.668 7.458 ( 1.759 1.900 4.444) 5.144 7.476 ( 1.355 -1.097 0.832) 1.932 7.527 ( -1.262 -6.903 6.984) 9.901 7.704 ( 1.556 5.793 -0.777) 6.049 7.745 ( 1.187 3.180 2.053) 3.967 7.895 ( 0.562 1.539 -2.587) 3.062 7.946 ( -2.158 -1.638 -0.879) 2.848 8.107 ( 2.416 0.219 -5.643) 6.143 8.117 ( 1.518 -0.124 -4.319) 4.580 8.247 ( -1.141 6.586 1.513) 6.853 8.305 ( -1.379 3.782 1.189) 4.198 8.357 ( -2.567 -5.835 1.831) 6.633 8.428 ( -0.199 -8.430 4.103) 9.378 8.994 ( 1.816 6.347 -0.597) 6.628 9.041 ( -1.049 1.379 -0.688) 1.864 9.070 ( 1.266 -2.276 0.938) 2.768 9.156 ( 1.412 -8.952 2.247) 9.337 9.561 ( -2.243 5.687 -4.271) 7.458 9.652 ( -2.807 -3.668 -6.697) 8.135 9.797 ( -1.457 8.769 -5.540) 10.474 9.855 ( -0.315 4.979 3.061) 5.853 9.943 ( 0.453 -2.951 -4.187) 5.142 9.980 ( -0.955 -5.001 3.646) 6.262 10.142 ( 2.131 2.888 1.198) 3.784 10.215 ( 0.886 -4.113 1.315) 4.408 11.827 ( 0.812 0.989 -0.319) 1.319 11.837 ( 0.191 0.106 -0.335) 0.400 11.902 ( -0.421 0.873 0.102) 0.975 11.929 ( -0.293 -1.716 -0.323) 1.771 13.917 ( -1.707 4.849 3.002) 5.953 14.030 ( -1.534 -7.045 2.170) 7.530 14.188 ( 1.180 0.800 1.506) 2.074 14.217 ( 1.854 -2.168 1.532) 3.238 14.493 ( -2.562 3.136 -1.630) 4.366 14.532 ( -4.043 0.037 -3.252) 5.189 14.629 ( 3.232 -0.781 2.135) 3.952 14.659 ( 1.190 -2.998 0.459) 3.258 14.789 ( 0.296 4.096 -1.468) 4.361 14.850 ( -0.403 0.772 -1.121) 1.420 14.857 ( 3.096 -0.049 -1.378) 3.389 14.933 ( 0.588 -4.804 -1.333) 5.020 14.991 ( 2.909 3.857 -0.838) 4.903 15.061 ( 2.094 -3.142 -0.321) 3.789 15.217 ( -1.834 0.937 0.573) 2.138 15.238 ( -1.808 -1.028 0.811) 2.233 15.537 ( -1.143 2.942 0.464) 3.190 15.612 ( -0.493 -4.768 0.974) 4.891 15.864 ( 0.424 3.143 -4.130) 5.207 15.931 ( 1.836 -3.800 -4.073) 5.865 16.264 ( 0.846 6.696 -4.210) 7.955 16.337 ( -1.262 -1.060 -7.478) 7.657 16.695 ( -1.130 2.113 6.830) 7.238 16.741 ( -0.961 -2.572 4.222) 5.037 17.070 ( -2.282 1.316 2.166) 3.410 17.094 ( -2.102 -1.159 1.154) 2.664 17.223 ( 0.798 2.173 1.558) 2.790 17.265 ( 1.364 -1.246 0.165) 1.855 17.368 ( -0.759 2.373 -1.557) 2.938 17.428 ( -0.192 -2.893 -1.453) 3.243 17.548 ( 3.043 7.612 -6.858) 10.688 17.677 ( 0.271 -4.591 -4.304) 6.299 17.879 ( 1.608 6.377 3.154) 7.294 17.986 ( -2.588 -2.779 3.750) 5.337 18.173 ( 1.198 -1.858 4.849) 5.329 18.213 ( -2.856 -4.689 5.220) 7.576 18.719 ( 0.910 5.800 0.452) 5.888 18.816 ( 0.840 -4.485 0.566) 4.598 18.954 ( -1.833 7.314 -3.760) 8.426 19.073 ( -2.185 -5.065 -4.208) 6.938 19.546 ( -2.721 1.018 -0.409) 2.934 19.570 ( -3.549 -1.465 -0.910) 3.946 19.787 ( 3.072 2.097 2.360) 4.405 19.825 ( 3.603 -1.832 2.225) 4.613 20.050 ( -0.879 1.299 -0.125) 1.574 20.088 ( -0.706 -2.519 -0.532) 2.669 20.220 ( 2.468 1.483 3.365) 4.428 20.250 ( 4.620 -1.665 4.419) 6.606 20.805 ( -1.579 5.210 -2.336) 5.924 20.917 ( -1.438 -6.551 -2.638) 7.207 21.433 ( 0.241 2.248 -1.230) 2.574 21.464 ( 0.082 -1.023 -1.969) 2.221 21.704 ( 0.240 -0.027 1.662) 1.680 21.709 ( -0.104 -0.624 1.325) 1.469 21.958 ( 0.413 1.859 0.003) 1.905 21.982 ( 0.131 -0.437 -0.349) 0.574 22.358 ( -0.364 1.661 0.329) 1.732 22.367 ( 0.042 1.012 0.266) 1.048 22.664 ( 0.657 -0.751 0.377) 1.066 22.699 ( -0.715 -4.005 -0.102) 4.070 ======================= Grid point 66 (37/78) ======================= q-point: (-0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -8.306 14.037 -11.672) 20.056 1.672 ( -15.007 11.046 -4.442) 19.156 1.756 ( -6.273 -6.402 2.350) 9.266 1.798 ( -14.326 3.149 -7.230) 16.353 1.876 ( -2.113 -5.698 -6.385) 8.815 1.972 ( -3.372 -2.453 -0.932) 4.273 2.043 ( 3.347 1.103 -7.366) 8.166 2.069 ( 4.778 -3.885 -2.630) 6.696 2.161 ( 6.840 4.953 -0.100) 8.446 2.304 ( 7.806 -8.363 -3.690) 12.020 2.332 ( 4.159 3.042 0.226) 5.158 2.367 ( -6.535 1.792 -0.205) 6.779 2.572 ( 0.795 7.401 -0.355) 7.452 2.598 ( -0.482 2.658 -0.928) 2.856 2.645 ( 0.865 -0.823 1.435) 1.867 2.722 ( -1.245 7.529 -5.978) 9.693 2.765 ( -5.201 2.738 0.184) 5.881 2.783 ( -0.601 -0.922 -1.246) 1.662 2.838 ( 6.747 -4.722 0.348) 8.242 2.892 ( -4.054 3.657 -6.716) 8.655 2.957 ( 0.952 -2.265 -0.219) 2.467 3.059 ( 1.391 -5.310 -5.951) 8.096 3.110 ( -0.721 2.712 5.405) 6.090 3.196 ( 1.046 -5.376 2.115) 5.871 3.208 ( -0.184 -4.875 5.480) 7.337 3.287 ( 2.701 -6.431 -1.566) 7.149 3.408 ( 1.786 3.440 4.054) 5.609 3.437 ( 4.151 0.223 4.729) 6.296 3.471 ( -7.299 7.798 -8.209) 13.471 3.529 ( -2.258 2.052 -4.778) 5.669 3.570 ( -0.772 -3.068 -2.329) 3.929 3.633 ( 0.543 -5.276 -0.248) 5.310 3.735 ( 4.121 4.148 -0.769) 5.897 3.758 ( 0.625 -2.387 -4.904) 5.489 3.824 ( -1.198 -2.098 -1.921) 3.087 3.840 ( -2.059 -2.196 -2.802) 4.113 3.938 ( -0.556 2.260 -5.436) 5.913 3.987 ( 0.860 0.307 -2.806) 2.951 4.109 ( 1.938 3.382 -5.257) 6.545 4.135 ( -1.321 -0.085 -1.835) 2.262 4.175 ( -0.830 0.870 -0.762) 1.424 4.195 ( -0.533 -0.052 1.336) 1.439 4.381 ( -1.621 6.565 0.229) 6.766 4.507 ( 3.784 -2.778 -1.219) 4.849 4.551 ( 3.854 0.796 2.537) 4.683 4.578 ( 3.882 -3.058 0.814) 5.008 4.680 ( 4.848 2.276 7.382) 9.120 4.723 ( 4.823 -2.275 6.160) 8.147 4.828 ( 3.415 1.280 3.648) 5.158 4.879 ( 1.229 -0.595 -1.952) 2.382 4.943 ( 1.872 0.984 0.177) 2.123 4.961 ( 0.946 -0.897 -0.962) 1.620 5.105 ( 2.944 -1.584 -3.467) 4.816 5.124 ( 4.352 -2.976 -1.841) 5.584 5.272 ( 0.985 0.245 3.125) 3.286 5.367 ( 3.422 -9.494 0.385) 10.099 5.566 ( -0.253 4.642 2.809) 5.432 5.689 ( 0.997 -7.006 2.373) 7.464 5.791 ( -3.408 6.102 3.235) 7.702 5.874 ( -0.588 -2.434 2.234) 3.355 5.946 ( 0.608 2.905 3.443) 4.546 5.961 ( -2.565 3.145 6.457) 7.627 6.024 ( -0.057 -2.347 5.769) 6.229 6.040 ( -2.142 -2.670 4.553) 5.696 6.223 ( -0.730 3.956 5.413) 6.744 6.273 ( -2.261 -1.787 3.595) 4.607 6.386 ( -5.467 4.926 2.656) 7.824 6.459 ( -1.132 3.522 1.626) 4.041 6.475 ( -2.128 -4.258 -1.914) 5.130 6.578 ( 2.587 -5.830 5.092) 8.161 6.722 ( 0.586 1.064 -3.230) 3.451 6.750 ( 3.920 -3.762 -7.198) 9.019 6.803 ( 4.784 2.619 -1.504) 5.658 6.889 ( 6.627 -2.388 1.583) 7.220 7.009 ( 3.430 -1.116 -1.311) 3.838 7.020 ( 2.801 -0.851 -6.022) 6.696 7.171 ( -2.487 0.318 0.836) 2.643 7.216 ( -1.049 -3.488 0.959) 3.766 7.319 ( -4.704 9.988 2.537) 11.328 7.485 ( -1.058 -5.241 0.241) 5.352 7.559 ( -0.931 1.596 5.886) 6.169 7.602 ( -2.576 -4.059 6.893) 8.404 7.694 ( -0.579 6.024 -0.503) 6.073 7.777 ( -0.358 -2.075 -0.490) 2.162 7.800 ( -5.927 5.134 -4.867) 9.229 7.852 ( -4.581 -0.776 -2.340) 5.202 8.089 ( 5.950 3.418 -4.590) 8.255 8.149 ( 2.382 -0.983 -1.953) 3.234 8.232 ( -0.380 3.250 0.664) 3.339 8.292 ( -1.976 5.295 1.268) 5.792 8.334 ( -4.079 -3.573 3.420) 6.411 8.487 ( 0.832 -10.568 3.801) 11.261 8.990 ( -1.211 9.840 -1.668) 10.053 9.045 ( 1.942 3.744 0.697) 4.274 9.099 ( 0.213 -2.837 1.441) 3.189 9.211 ( 0.962 -12.070 1.137) 12.162 9.396 ( -8.507 4.040 -2.288) 9.692 9.466 ( -7.979 -2.984 -4.797) 9.777 9.738 ( 2.852 6.834 -5.306) 9.111 9.847 ( 2.454 -4.574 -6.693) 8.470 9.930 ( -0.979 7.783 5.797) 9.754 10.052 ( -0.737 -4.072 5.795) 7.121 10.168 ( 0.864 1.798 -1.120) 2.288 10.222 ( -0.286 -2.877 -1.208) 3.133 11.835 ( 0.434 1.198 -0.659) 1.435 11.844 ( 1.425 0.266 -0.687) 1.604 11.905 ( 0.640 0.306 0.114) 0.719 11.922 ( 0.348 -1.401 -0.639) 1.579 13.907 ( -5.590 3.833 4.005) 7.873 13.995 ( -6.231 -5.300 2.505) 8.555 14.228 ( 1.033 1.246 0.293) 1.645 14.275 ( 1.860 -3.489 1.475) 4.220 14.427 ( -1.734 1.751 -0.443) 2.504 14.452 ( -1.456 -0.830 -1.226) 2.076 14.682 ( 1.617 1.138 1.100) 2.263 14.709 ( 1.664 -0.927 1.472) 2.407 14.764 ( -0.528 1.658 -1.749) 2.467 14.811 ( -1.790 -2.758 -1.910) 3.802 14.868 ( 1.235 2.213 -3.497) 4.319 14.917 ( 1.292 -2.153 -2.445) 3.505 15.078 ( 5.022 2.211 -0.671) 5.528 15.114 ( 3.591 -0.937 -2.112) 4.270 15.195 ( -0.295 0.657 0.818) 1.090 15.222 ( 0.627 -1.789 1.605) 2.484 15.538 ( 0.068 3.778 2.204) 4.375 15.621 ( -0.519 -4.875 1.873) 5.248 15.795 ( -0.292 4.093 -5.660) 6.991 15.884 ( 0.450 -5.356 -5.289) 7.541 16.217 ( -1.640 3.175 -6.823) 7.702 16.238 ( 2.004 1.273 -3.150) 3.945 16.741 ( -2.924 1.070 4.295) 5.305 16.767 ( -2.861 -1.731 3.589) 4.906 17.072 ( -1.536 0.725 3.253) 3.670 17.082 ( -1.505 -0.501 1.837) 2.427 17.260 ( 0.355 2.938 0.042) 2.960 17.281 ( 1.182 3.062 0.590) 3.335 17.344 ( -0.301 -0.929 -1.009) 1.404 17.404 ( -0.889 -4.093 0.209) 4.193 17.512 ( 4.068 4.821 -6.412) 8.994 17.614 ( 1.239 -4.650 -6.235) 7.876 17.924 ( -3.248 5.499 2.354) 6.807 18.005 ( -1.528 -0.207 4.125) 4.404 18.237 ( 1.410 2.070 5.573) 6.110 18.329 ( 5.284 -5.147 6.763) 10.007 18.735 ( -0.489 4.853 2.454) 5.460 18.777 ( -3.573 1.902 0.845) 4.135 18.948 ( 5.262 -0.023 -3.596) 6.373 18.999 ( 1.426 -3.952 -5.635) 7.029 19.487 ( -3.763 0.906 0.852) 3.963 19.507 ( -2.910 -1.171 0.632) 3.200 19.862 ( 2.659 1.860 0.447) 3.276 19.889 ( 2.077 -0.987 -0.477) 2.348 20.023 ( -2.209 1.387 0.438) 2.645 20.045 ( -2.641 -0.773 -0.552) 2.807 20.389 ( 8.524 1.451 5.570) 10.285 20.434 ( 8.196 -3.174 4.094) 9.696 20.751 ( 0.455 3.928 -2.120) 4.486 20.845 ( -0.446 -5.868 -5.680) 8.179 21.439 ( 2.484 1.318 -1.107) 3.022 21.455 ( 2.253 -0.408 -2.060) 3.080 21.712 ( -1.422 0.472 1.006) 1.805 21.727 ( -0.644 -1.015 1.402) 1.847 21.957 ( -0.655 1.958 0.159) 2.070 21.978 ( 0.073 -0.184 -0.302) 0.361 22.318 ( -4.836 2.444 0.410) 5.434 22.354 ( -2.802 -0.721 0.592) 2.953 22.643 ( -4.141 -1.001 -0.049) 4.260 22.674 ( -2.228 -3.807 0.683) 4.464 ======================= Grid point 67 (38/78) ======================= q-point: (-0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -7.858 20.199 -8.073) 23.129 1.331 ( -21.416 11.479 -1.304) 24.334 1.484 ( -17.075 -6.038 -0.875) 18.132 1.623 ( -5.058 -18.150 -3.180) 19.108 1.807 ( -6.708 3.835 0.149) 7.728 1.871 ( -4.697 -2.857 -0.806) 5.556 1.976 ( -0.598 8.416 -6.646) 10.740 2.085 ( 1.318 0.429 -5.254) 5.434 2.198 ( -2.380 5.772 -1.395) 6.398 2.297 ( -3.317 5.676 -4.938) 8.222 2.300 ( -0.143 -1.148 -4.325) 4.477 2.355 ( 2.070 -4.397 -2.816) 5.617 2.521 ( -4.400 5.374 -1.778) 7.170 2.573 ( 0.420 0.084 -3.571) 3.597 2.630 ( 2.758 1.696 -1.705) 3.659 2.667 ( 3.658 4.648 -0.917) 5.985 2.740 ( 2.164 4.930 3.346) 6.339 2.767 ( -0.689 0.188 -0.045) 0.716 2.893 ( 6.527 2.802 6.206) 9.432 2.978 ( 0.383 -0.391 -2.929) 2.979 3.008 ( 8.899 0.937 2.270) 9.231 3.059 ( -1.008 -14.320 0.944) 14.386 3.148 ( -0.355 -0.116 3.047) 3.070 3.210 ( 1.441 -1.524 3.630) 4.192 3.259 ( 0.093 -1.798 0.443) 1.855 3.295 ( -1.060 -3.935 2.264) 4.662 3.389 ( -1.102 1.759 1.501) 2.562 3.425 ( -4.563 -3.427 3.083) 6.486 3.489 ( 1.985 -2.990 1.107) 3.756 3.532 ( -0.263 2.767 -0.772) 2.885 3.541 ( 1.480 -6.561 0.008) 6.726 3.632 ( 0.591 -6.079 -1.001) 6.189 3.713 ( 1.463 1.717 -7.863) 8.181 3.716 ( 0.105 5.106 -3.667) 6.287 3.749 ( 0.014 -1.888 -5.618) 5.927 3.771 ( 2.176 -0.828 -5.380) 5.863 3.916 ( -3.064 1.212 -2.092) 3.903 3.955 ( 1.378 -0.490 2.805) 3.164 4.085 ( 1.869 3.760 -1.613) 4.498 4.135 ( -0.348 1.118 0.266) 1.200 4.143 ( -3.068 3.964 1.091) 5.129 4.207 ( 0.093 -1.614 0.384) 1.662 4.332 ( -1.901 6.162 -2.160) 6.801 4.421 ( -4.411 -2.856 -4.484) 6.907 4.707 ( 6.264 -0.383 4.027) 7.456 4.731 ( 10.054 -1.597 3.810) 10.869 4.822 ( 4.155 -0.128 2.147) 4.679 4.850 ( 1.197 -2.845 0.196) 3.093 4.918 ( 6.377 6.228 2.648) 9.299 4.965 ( 8.912 1.251 2.871) 9.447 4.987 ( 4.771 5.160 -0.601) 7.053 5.089 ( 10.141 -4.714 3.347) 11.674 5.116 ( 3.004 1.814 -1.220) 3.716 5.208 ( 5.608 -7.218 1.576) 9.275 5.300 ( 0.233 -2.469 -0.255) 2.493 5.362 ( 0.944 -8.635 -3.446) 9.345 5.649 ( 3.430 3.444 3.854) 6.204 5.716 ( 2.211 -3.186 -3.339) 5.118 5.813 ( -1.187 5.588 4.784) 7.451 5.881 ( -1.737 -1.216 4.571) 5.039 5.974 ( -1.466 3.044 2.667) 4.305 6.015 ( -2.456 3.986 -2.201) 5.173 6.034 ( -0.882 -1.553 3.593) 4.013 6.100 ( -0.240 -4.130 2.846) 5.022 6.245 ( -1.924 4.925 3.459) 6.318 6.329 ( 2.339 -0.239 4.149) 4.769 6.359 ( -4.293 2.936 4.446) 6.843 6.413 ( -3.428 -2.954 1.086) 4.653 6.452 ( -3.593 0.574 3.296) 4.910 6.575 ( -4.393 -8.482 -2.946) 9.996 6.681 ( 1.593 0.626 -3.707) 4.083 6.728 ( 5.380 -3.678 -6.582) 9.263 6.856 ( 5.224 5.659 -4.824) 9.087 6.927 ( 5.354 -1.573 -6.249) 8.378 7.028 ( 2.992 0.117 -2.019) 3.611 7.073 ( 2.680 -3.464 -0.213) 4.385 7.165 ( -0.516 2.167 3.063) 3.788 7.227 ( -0.552 -4.259 3.669) 5.648 7.286 ( -6.675 8.104 5.307) 11.764 7.429 ( -6.105 -5.854 0.360) 8.466 7.544 ( -7.059 2.884 1.282) 7.733 7.575 ( -7.563 -1.288 0.119) 7.673 7.608 ( -5.099 5.200 -4.535) 8.579 7.722 ( -0.682 -2.967 -1.356) 3.333 7.747 ( 0.086 -0.600 0.510) 0.792 7.791 ( 2.874 -2.483 -3.700) 5.302 8.083 ( -1.497 5.651 -3.424) 6.775 8.128 ( -1.584 1.980 -0.692) 2.628 8.237 ( 0.423 2.956 1.960) 3.572 8.334 ( 0.494 -3.932 3.557) 5.325 8.348 ( -0.183 6.513 2.878) 7.123 8.536 ( -0.340 -9.561 1.979) 9.770 8.882 ( -4.890 8.961 -6.678) 12.199 9.016 ( -5.993 -2.264 -4.152) 7.634 9.137 ( 4.696 0.332 0.197) 4.711 9.177 ( 1.290 -5.290 -0.775) 5.499 9.370 ( -3.085 2.641 8.852) 9.739 9.433 ( -2.431 -3.906 9.808) 10.833 9.729 ( 4.088 3.540 -3.853) 6.640 9.806 ( 3.570 -4.389 -5.976) 8.229 9.997 ( -1.138 7.940 5.092) 9.501 10.092 ( -1.135 3.111 1.648) 3.699 10.148 ( -1.561 -4.220 -0.324) 4.511 10.186 ( -0.264 -2.771 -2.611) 3.817 11.824 ( -0.157 1.863 -1.000) 2.121 11.848 ( 0.791 -0.367 -1.434) 1.679 11.921 ( 0.930 -0.315 0.262) 1.017 11.923 ( 0.766 -0.751 -0.463) 1.169 13.851 ( -8.498 1.649 3.799) 9.453 13.911 ( -7.657 -4.111 1.219) 8.776 14.224 ( 0.023 2.715 -0.955) 2.878 14.294 ( 0.373 -4.646 -0.593) 4.698 14.447 ( 1.161 1.309 2.719) 3.234 14.470 ( 1.804 -0.901 2.727) 3.392 14.703 ( -0.350 2.101 -0.425) 2.172 14.708 ( -1.652 1.552 -2.591) 3.442 14.735 ( -0.432 -1.281 -0.497) 1.440 14.775 ( 0.043 -3.365 -0.590) 3.416 14.830 ( -0.116 3.078 -2.637) 4.055 14.886 ( -0.234 -2.502 -3.283) 4.135 15.043 ( -0.274 1.660 -4.366) 4.679 15.083 ( 1.396 -2.414 -5.012) 5.736 15.269 ( 3.850 3.176 2.287) 5.490 15.322 ( 5.278 -2.247 2.219) 6.150 15.604 ( 1.555 2.746 4.595) 5.574 15.653 ( 0.537 -2.124 2.697) 3.474 15.723 ( 0.091 3.556 -3.949) 5.315 15.805 ( -1.481 -4.881 -5.162) 7.257 16.116 ( -1.365 7.754 -3.959) 8.813 16.242 ( 2.570 -5.179 -1.204) 5.906 16.726 ( -4.258 0.681 2.131) 4.810 16.746 ( -4.541 -1.469 2.214) 5.262 17.101 ( -0.561 0.856 3.180) 3.341 17.110 ( -0.631 0.229 4.183) 4.236 17.232 ( -0.390 4.348 -1.648) 4.666 17.304 ( -0.388 -2.446 -1.795) 3.059 17.332 ( 0.802 3.818 0.934) 4.012 17.412 ( 0.181 -3.271 0.563) 3.324 17.500 ( 3.932 1.839 -4.848) 6.508 17.570 ( 1.848 -4.264 -2.944) 5.501 17.875 ( -3.828 5.006 0.067) 6.303 17.989 ( -4.605 -6.181 1.195) 7.800 18.398 ( 5.593 5.184 4.769) 8.994 18.458 ( 1.074 -1.558 3.350) 3.848 18.798 ( 8.204 10.298 3.195) 13.548 18.847 ( 3.029 5.439 6.997) 9.365 18.966 ( 4.188 -4.107 -4.602) 7.455 18.994 ( 5.035 -5.613 0.379) 7.550 19.465 ( -2.526 1.941 2.733) 4.197 19.493 ( -1.574 -1.023 1.393) 2.338 19.865 ( -0.226 1.382 -2.520) 2.883 19.887 ( 0.754 -0.756 -1.978) 2.248 20.006 ( -0.937 0.923 1.332) 1.872 20.024 ( -0.038 -0.916 0.975) 1.338 20.481 ( 0.882 1.511 -6.691) 6.916 20.524 ( 3.722 -2.937 -4.978) 6.875 20.800 ( 3.878 1.067 -0.555) 4.060 20.847 ( 7.365 -3.413 5.033) 9.551 21.477 ( 3.519 0.472 -1.448) 3.835 21.478 ( 3.998 0.438 -0.631) 4.071 21.690 ( -2.065 1.122 -0.198) 2.358 21.716 ( -1.960 -1.726 -0.064) 2.612 21.950 ( -0.232 2.468 0.004) 2.479 21.974 ( -0.211 0.200 -0.289) 0.410 22.230 ( -7.353 3.055 0.881) 8.011 22.301 ( -5.424 -3.482 1.220) 6.560 22.557 ( -6.171 1.145 -0.374) 6.287 22.625 ( -6.189 -6.141 0.940) 8.769 ======================= Grid point 68 (39/78) ======================= q-point: (-0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -16.127 16.569 2.626) 23.270 1.142 ( -6.651 22.703 7.644) 24.862 1.275 ( -12.188 -9.195 4.261) 15.851 1.566 ( -1.038 -18.385 1.459) 18.472 1.712 ( -5.805 3.503 -0.196) 6.783 1.783 ( -3.659 -4.161 0.828) 5.603 1.886 ( -4.066 9.464 1.034) 10.352 2.057 ( -2.898 -6.742 0.833) 7.386 2.098 ( -2.284 12.372 -1.422) 12.661 2.162 ( -1.411 -1.767 -0.157) 2.267 2.268 ( -0.411 14.421 3.536) 14.854 2.340 ( 1.091 0.875 -1.732) 2.226 2.421 ( -6.844 10.662 1.059) 12.714 2.669 ( 7.788 -1.063 -1.820) 8.068 2.683 ( 2.279 10.028 1.836) 10.447 2.720 ( 5.456 -1.074 -0.189) 5.564 2.783 ( 0.595 -5.011 3.138) 5.942 2.882 ( 6.319 1.938 3.702) 7.575 2.968 ( 0.057 -6.306 3.026) 6.995 3.032 ( -0.970 -5.573 1.450) 5.839 3.076 ( 1.592 -4.976 1.971) 5.585 3.127 ( -0.777 2.571 -3.557) 4.457 3.170 ( 4.253 -0.078 4.028) 5.858 3.246 ( -2.097 -5.951 0.837) 6.365 3.275 ( 0.974 -2.630 -0.890) 2.942 3.300 ( -4.510 -10.564 -0.173) 11.488 3.360 ( 3.757 2.510 1.416) 4.734 3.431 ( -0.683 -1.367 -4.073) 4.350 3.483 ( 0.707 1.170 1.011) 1.700 3.512 ( 0.227 -1.691 -3.297) 3.712 3.565 ( 3.320 -0.776 -3.123) 4.624 3.609 ( 0.025 -2.922 -1.073) 3.113 3.643 ( 1.328 1.658 -2.193) 3.053 3.673 ( -0.732 1.218 -3.952) 4.200 3.741 ( 2.459 -1.609 4.278) 5.190 3.772 ( -0.913 -2.404 -1.091) 2.793 3.865 ( -2.129 2.890 1.507) 3.893 3.955 ( -3.513 -4.252 0.390) 5.529 4.085 ( -1.951 4.234 -1.834) 5.009 4.098 ( -0.985 2.845 0.795) 3.114 4.165 ( 2.193 4.480 1.359) 5.170 4.210 ( -0.145 0.530 0.624) 0.831 4.273 ( -0.495 3.790 -3.484) 5.171 4.331 ( -2.074 -1.242 -0.983) 2.609 4.775 ( -0.146 -0.066 1.568) 1.576 4.835 ( 2.466 -5.890 -0.428) 6.399 4.914 ( 4.938 2.607 0.873) 5.652 4.972 ( 5.501 -0.031 -5.900) 8.066 5.009 ( 7.275 6.114 -0.356) 9.510 5.080 ( 7.853 1.921 -4.937) 9.473 5.091 ( 5.344 7.424 0.341) 9.154 5.177 ( 1.369 -4.262 -1.465) 4.710 5.202 ( 3.266 -2.211 5.052) 6.409 5.245 ( -1.845 -8.993 -2.890) 9.624 5.341 ( 2.123 -5.299 1.917) 6.022 5.401 ( 5.596 -9.591 5.676) 12.471 5.683 ( 3.660 3.245 -4.098) 6.381 5.732 ( 2.244 -1.620 -1.497) 3.147 5.850 ( -2.740 3.156 -6.751) 7.940 5.873 ( -1.737 0.975 2.029) 2.844 5.941 ( -2.066 1.239 -1.279) 2.728 5.976 ( -0.645 1.028 4.169) 4.342 6.043 ( -0.606 2.972 1.395) 3.339 6.114 ( -0.011 -4.145 2.521) 4.852 6.265 ( -3.109 7.650 -0.762) 8.293 6.323 ( -2.935 3.274 0.352) 4.411 6.364 ( 0.524 3.046 0.693) 3.167 6.420 ( -2.119 1.629 0.500) 2.719 6.457 ( -0.246 -6.793 -0.364) 6.807 6.484 ( -2.111 -0.935 1.493) 2.750 6.718 ( 5.410 -3.509 1.011) 6.527 6.725 ( 4.145 -2.958 -2.745) 5.785 6.863 ( 3.467 5.313 -2.476) 6.810 6.959 ( 5.747 -3.803 -2.329) 7.274 7.025 ( 0.935 1.016 -2.099) 2.512 7.078 ( 2.032 -4.229 -2.699) 5.413 7.191 ( -2.710 2.104 1.417) 3.712 7.244 ( -2.331 -3.787 1.526) 4.701 7.262 ( -5.529 4.637 5.724) 9.211 7.355 ( -4.914 -3.442 2.314) 6.430 7.419 ( -6.098 4.405 0.007) 7.522 7.455 ( -5.520 -0.473 -0.148) 5.542 7.539 ( -2.749 0.428 1.227) 3.041 7.635 ( -3.287 -6.709 -2.183) 7.784 7.802 ( 4.869 0.570 -2.202) 5.374 7.812 ( 5.354 -0.620 -3.807) 6.598 8.012 ( -2.782 5.487 -2.765) 6.744 8.066 ( -4.227 0.522 0.166) 4.263 8.282 ( -0.057 4.186 2.730) 4.998 8.325 ( -0.782 4.743 -2.664) 5.496 8.388 ( -1.212 1.904 3.706) 4.339 8.526 ( -1.474 -7.162 -0.516) 7.330 8.771 ( -1.260 3.870 -1.267) 4.263 8.870 ( -5.504 -5.630 -1.021) 7.939 9.207 ( 6.064 1.378 -4.055) 7.424 9.228 ( 3.817 -0.832 -1.449) 4.167 9.429 ( -3.994 2.669 4.595) 6.647 9.493 ( -5.879 -4.242 4.779) 8.683 9.779 ( 4.260 1.111 2.329) 4.981 9.813 ( 2.698 -1.946 0.275) 3.338 10.001 ( -0.580 5.642 -2.054) 6.032 10.054 ( -0.635 3.249 -4.038) 5.222 10.141 ( -2.686 -4.219 1.750) 5.299 10.153 ( 0.568 -2.762 -0.972) 2.982 11.814 ( 0.066 2.106 -0.139) 2.112 11.844 ( 0.479 -0.803 0.283) 0.977 11.934 ( 0.595 -0.265 0.474) 0.806 11.940 ( 0.641 -0.664 0.935) 1.314 13.751 ( -8.247 1.721 1.611) 8.577 13.812 ( -5.365 -3.953 0.040) 6.664 14.217 ( 0.234 2.940 -0.581) 3.006 14.289 ( 0.194 -4.663 -0.704) 4.720 14.486 ( -0.221 2.445 -0.009) 2.455 14.531 ( 0.330 -2.067 1.142) 2.384 14.658 ( 0.071 2.946 -0.600) 3.007 14.685 ( 1.586 0.076 -1.275) 2.037 14.717 ( -0.758 0.958 0.622) 1.371 14.755 ( -1.398 -2.713 0.044) 3.053 14.825 ( 0.471 1.482 1.349) 2.058 14.863 ( 0.069 -2.084 -0.184) 2.093 15.013 ( 1.633 2.653 -1.403) 3.416 15.077 ( 2.103 -4.248 0.069) 4.740 15.339 ( 3.097 3.696 0.277) 4.830 15.399 ( 3.481 -2.532 -0.873) 4.392 15.655 ( -0.924 0.847 -1.496) 1.951 15.660 ( -1.399 0.515 0.972) 1.779 15.720 ( -0.064 0.238 -2.210) 2.223 15.724 ( 0.122 -0.187 0.401) 0.459 16.099 ( 0.496 10.043 3.337) 10.595 16.289 ( 2.725 -9.512 1.975) 10.090 16.677 ( -4.054 1.065 0.608) 4.236 16.701 ( -3.964 -1.298 1.324) 4.377 17.129 ( -1.437 1.181 2.410) 3.045 17.145 ( -2.047 -0.290 3.436) 4.010 17.228 ( 0.505 3.661 0.753) 3.771 17.284 ( 0.179 -1.680 0.192) 1.701 17.329 ( 0.845 4.072 -3.423) 5.387 17.409 ( 1.344 -3.693 -2.644) 4.737 17.514 ( 3.139 2.887 -0.894) 4.357 17.591 ( 0.950 -4.632 1.958) 5.117 17.829 ( -1.908 3.630 0.123) 4.103 17.929 ( -3.101 -6.676 -0.417) 7.373 18.455 ( -0.330 1.785 0.108) 1.819 18.473 ( -1.144 -0.236 0.309) 1.208 18.877 ( 1.221 4.622 -4.152) 6.332 18.920 ( 7.350 1.532 -9.986) 12.493 19.136 ( 10.195 2.916 6.924) 12.664 19.201 ( 9.778 -3.428 7.579) 12.838 19.439 ( -5.130 1.104 -0.181) 5.251 19.463 ( -4.230 -1.163 -0.337) 4.400 19.851 ( 1.715 1.839 -0.226) 2.524 19.886 ( 2.666 -1.765 0.106) 3.199 20.043 ( 2.451 0.696 2.030) 3.258 20.058 ( 1.699 -0.899 0.827) 2.093 20.382 ( -0.637 1.897 -4.971) 5.359 20.424 ( 0.993 -2.286 -5.301) 5.858 20.901 ( 4.226 5.563 1.484) 7.142 21.010 ( 4.930 -5.783 2.621) 8.038 21.519 ( 2.882 1.441 -0.194) 3.228 21.541 ( 3.946 -0.736 0.290) 4.024 21.651 ( -1.137 1.536 -1.105) 2.208 21.680 ( -0.412 -1.540 -1.008) 1.886 21.950 ( 0.717 1.917 -0.618) 2.138 21.962 ( -0.514 1.269 -0.607) 1.497 22.130 ( -7.048 2.887 1.517) 7.766 22.224 ( -7.191 -6.164 1.757) 9.633 22.456 ( -5.597 1.528 -0.419) 5.816 22.508 ( -8.051 -4.211 -0.381) 9.094 ======================= Grid point 85 (40/78) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -5.819 0.000 21.936) 22.695 1.053 ( -2.538 0.000 27.469) 27.586 1.413 ( 1.394 0.000 -1.914) 2.368 1.422 ( 8.455 0.000 -0.090) 8.455 1.643 ( 0.041 0.000 -11.426) 11.426 1.918 ( 6.416 0.000 -0.724) 6.457 2.013 ( -4.675 0.000 34.514) 34.829 2.102 ( -1.045 0.000 9.034) 9.094 2.297 ( 3.105 0.000 9.622) 10.111 2.329 ( 6.383 0.000 -1.802) 6.633 2.399 ( -1.318 0.000 8.574) 8.675 2.433 ( 2.343 0.000 1.110) 2.592 2.643 ( -1.079 0.000 -3.487) 3.650 2.707 ( -3.734 0.000 -4.280) 5.680 2.732 ( -2.367 0.000 7.639) 7.997 2.759 ( -0.418 0.000 7.862) 7.873 2.765 ( -0.100 0.000 -4.403) 4.404 2.877 ( -5.427 0.000 3.514) 6.465 2.964 ( 5.165 0.000 1.014) 5.264 3.041 ( 5.125 0.000 0.447) 5.145 3.078 ( 1.130 0.000 5.128) 5.251 3.116 ( -4.300 0.000 5.122) 6.687 3.167 ( 1.530 0.000 -1.841) 2.394 3.219 ( 1.087 0.000 -0.547) 1.217 3.304 ( -1.693 0.000 -5.617) 5.867 3.330 ( 4.803 0.000 3.864) 6.165 3.370 ( 0.094 0.000 -3.528) 3.529 3.405 ( -4.770 0.000 -0.513) 4.798 3.487 ( -3.945 0.000 -7.699) 8.650 3.537 ( 0.115 0.000 2.431) 2.434 3.608 ( -2.133 0.000 -5.806) 6.186 3.666 ( 0.310 0.000 -0.170) 0.354 3.719 ( -3.883 0.000 -3.906) 5.508 3.731 ( 1.928 0.000 -7.782) 8.017 3.762 ( 5.678 0.000 1.129) 5.789 3.770 ( 2.830 0.000 -10.699) 11.067 3.908 ( -2.707 0.000 0.080) 2.708 3.929 ( -1.383 0.000 6.477) 6.623 4.003 ( -1.702 0.000 3.175) 3.603 4.092 ( 1.513 0.000 3.897) 4.181 4.117 ( 3.676 0.000 0.918) 3.789 4.163 ( 1.604 0.000 6.959) 7.142 4.237 ( 2.206 0.000 -17.510) 17.649 4.334 ( 3.177 0.000 2.986) 4.360 4.593 ( -3.296 0.000 -4.494) 5.573 4.765 ( -0.136 0.000 2.735) 2.739 4.768 ( 6.160 0.000 -0.381) 6.172 4.790 ( 4.308 0.000 -1.896) 4.707 4.953 ( -4.174 0.000 -6.437) 7.672 4.985 ( -8.235 0.000 1.369) 8.348 5.008 ( -3.184 0.000 -4.781) 5.745 5.009 ( 0.047 0.000 -11.143) 11.143 5.250 ( -1.834 0.000 -0.841) 2.017 5.388 ( 7.840 0.000 -0.299) 7.846 5.499 ( -4.709 0.000 3.413) 5.816 5.593 ( -4.639 0.000 0.942) 4.733 5.612 ( 0.245 0.000 -1.157) 1.183 5.698 ( 1.594 0.000 -6.992) 7.171 5.876 ( 1.914 0.000 4.470) 4.862 5.913 ( 3.952 0.000 2.797) 4.841 5.980 ( -4.806 0.000 -0.666) 4.852 6.011 ( -1.797 0.000 -2.164) 2.813 6.080 ( 3.466 0.000 1.240) 3.681 6.118 ( -3.260 0.000 5.566) 6.450 6.135 ( -0.873 0.000 -3.291) 3.405 6.140 ( -2.070 0.000 2.455) 3.211 6.243 ( -0.486 0.000 -0.660) 0.820 6.398 ( -2.785 0.000 -4.562) 5.345 6.473 ( -2.901 0.000 8.593) 9.070 6.499 ( -0.312 0.000 -7.883) 7.889 6.688 ( 8.067 0.000 -1.101) 8.142 6.770 ( 3.419 0.000 6.844) 7.650 6.861 ( 3.215 0.000 5.778) 6.612 6.989 ( 0.141 0.000 -7.122) 7.124 7.212 ( -3.604 0.000 2.490) 4.380 7.218 ( 4.677 0.000 5.216) 7.006 7.249 ( -1.411 0.000 2.895) 3.220 7.336 ( 0.278 0.000 0.874) 0.917 7.342 ( 0.988 0.000 -6.386) 6.462 7.353 ( 2.222 0.000 6.516) 6.885 7.372 ( 0.542 0.000 -2.657) 2.712 7.427 ( -4.526 0.000 -1.045) 4.645 7.454 ( 1.145 0.000 -2.093) 2.386 7.621 ( -2.104 0.000 -7.923) 8.198 7.685 ( 1.421 0.000 -1.295) 1.923 7.761 ( -0.842 0.000 -1.932) 2.108 7.918 ( 1.582 0.000 3.638) 3.967 7.983 ( 2.700 0.000 0.202) 2.707 8.094 ( -0.562 0.000 4.905) 4.937 8.260 ( 1.788 0.000 -1.506) 2.338 8.459 ( -12.006 0.000 1.910) 12.157 8.540 ( 1.370 0.000 -1.085) 1.748 8.579 ( -0.384 0.000 1.984) 2.021 8.864 ( 4.426 0.000 -11.632) 12.445 8.986 ( 2.069 0.000 2.347) 3.129 9.015 ( 0.265 0.000 1.512) 1.535 9.442 ( -3.230 0.000 -2.229) 3.925 9.545 ( -3.115 0.000 -0.381) 3.138 9.593 ( -4.030 0.000 4.609) 6.122 9.837 ( -0.031 0.000 0.058) 0.066 9.909 ( 1.536 0.000 0.439) 1.598 10.043 ( 3.965 0.000 -6.947) 7.998 10.226 ( 0.842 0.000 4.305) 4.387 10.255 ( -0.821 0.000 2.517) 2.648 11.818 ( 0.831 0.000 2.823) 2.943 11.922 ( -0.703 0.000 -2.136) 2.249 12.011 ( 0.267 0.000 1.962) 1.980 12.065 ( 0.474 0.000 -0.903) 1.020 13.667 ( -5.578 0.000 3.091) 6.377 13.797 ( 1.541 0.000 -3.267) 3.612 14.219 ( 0.116 0.000 2.969) 2.972 14.356 ( 0.846 0.000 -3.684) 3.780 14.364 ( 0.975 0.000 -0.594) 1.141 14.450 ( -2.437 0.000 -4.125) 4.791 14.710 ( 1.199 0.000 0.903) 1.501 14.729 ( 0.019 0.000 0.633) 0.633 14.823 ( 4.596 0.000 2.759) 5.360 14.859 ( 1.815 0.000 1.031) 2.087 14.860 ( -2.473 0.000 5.793) 6.299 14.967 ( 1.206 0.000 1.322) 1.789 14.993 ( -0.924 0.000 2.395) 2.567 15.193 ( -1.165 0.000 -6.842) 6.941 15.324 ( -1.732 0.000 1.260) 2.142 15.438 ( 1.035 0.000 -2.307) 2.528 15.617 ( -6.995 0.000 1.238) 7.104 15.627 ( 2.899 0.000 0.132) 2.902 15.714 ( -3.724 0.000 0.142) 3.726 15.717 ( 12.792 0.000 0.583) 12.805 16.334 ( 7.688 0.000 4.680) 9.000 16.484 ( -7.425 0.000 -3.506) 8.211 16.612 ( 4.854 0.000 0.651) 4.898 16.661 ( -2.269 0.000 -1.594) 2.773 17.113 ( -0.174 0.000 -0.563) 0.589 17.133 ( 0.417 0.000 -1.338) 1.401 17.217 ( -4.451 0.000 4.161) 6.093 17.260 ( 1.746 0.000 2.889) 3.375 17.408 ( -0.347 0.000 -1.979) 2.010 17.436 ( 4.982 0.000 -5.402) 7.348 17.669 ( 2.787 0.000 -0.044) 2.788 17.674 ( -12.931 0.000 -1.064) 12.975 17.833 ( -3.862 0.000 2.953) 4.862 17.911 ( 2.155 0.000 0.438) 2.199 18.124 ( -0.266 0.000 4.224) 4.232 18.335 ( -0.559 0.000 -2.966) 3.018 18.474 ( 1.497 0.000 0.741) 1.671 18.581 ( -1.981 0.000 -6.143) 6.455 19.167 ( -0.869 0.000 0.456) 0.981 19.180 ( -4.995 0.000 -0.528) 5.023 19.399 ( -0.056 0.000 2.745) 2.746 19.458 ( 2.139 0.000 0.140) 2.144 19.825 ( 2.898 0.000 2.440) 3.788 19.949 ( -0.803 0.000 0.154) 0.817 19.997 ( -5.245 0.000 -3.961) 6.573 20.008 ( 0.229 0.000 -2.227) 2.238 20.542 ( 6.253 0.000 4.385) 7.637 20.693 ( -5.881 0.000 -4.242) 7.251 21.170 ( -10.384 0.000 0.061) 10.384 21.200 ( 21.936 0.000 -1.139) 21.966 21.514 ( -2.902 0.000 1.106) 3.106 21.531 ( 3.313 0.000 0.388) 3.336 21.636 ( 1.844 0.000 1.975) 2.702 21.723 ( 0.033 0.000 -2.068) 2.068 21.823 ( -0.905 0.000 1.677) 1.906 21.912 ( 2.097 0.000 -3.370) 3.970 22.164 ( -5.301 0.000 2.262) 5.763 22.253 ( 2.448 0.000 -2.413) 3.437 22.365 ( -5.033 0.000 2.269) 5.521 22.431 ( 1.165 0.000 -0.995) 1.532 ======================= Grid point 86 (41/78) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 8.773 0.000 15.194) 17.545 1.258 ( -4.596 0.000 6.372) 7.857 1.454 ( -1.986 0.000 -6.422) 6.722 1.594 ( 17.103 0.000 2.808) 17.332 1.621 ( 13.976 0.000 -0.769) 13.997 1.791 ( 4.771 0.000 -17.915) 18.539 2.148 ( -4.271 0.000 2.120) 4.768 2.283 ( -3.062 0.000 -4.864) 5.748 2.320 ( -1.129 0.000 10.516) 10.576 2.391 ( -3.964 0.000 -6.750) 7.828 2.471 ( -0.810 0.000 7.037) 7.084 2.533 ( -3.714 0.000 -3.606) 5.177 2.653 ( 0.269 0.000 1.701) 1.722 2.669 ( 2.596 0.000 11.679) 11.964 2.769 ( -0.614 0.000 13.952) 13.965 2.771 ( -3.124 0.000 4.786) 5.715 2.853 ( -2.068 0.000 10.423) 10.627 2.856 ( -0.438 0.000 -1.264) 1.338 2.973 ( -7.926 0.000 -5.421) 9.603 3.016 ( 2.195 0.000 -2.353) 3.217 3.060 ( -4.846 0.000 0.939) 4.936 3.105 ( -4.318 0.000 3.201) 5.375 3.216 ( 1.204 0.000 3.171) 3.392 3.255 ( -4.319 0.000 -7.091) 8.303 3.257 ( 5.121 0.000 -6.847) 8.550 3.335 ( 7.516 0.000 4.214) 8.616 3.372 ( -4.106 0.000 -2.618) 4.870 3.416 ( 3.367 0.000 -1.854) 3.844 3.433 ( -5.811 0.000 -3.268) 6.667 3.484 ( 6.666 0.000 -1.566) 6.848 3.541 ( 6.205 0.000 -5.798) 8.493 3.595 ( 2.686 0.000 -2.022) 3.362 3.645 ( 5.888 0.000 -2.488) 6.392 3.663 ( 1.302 0.000 -0.742) 1.499 3.787 ( -0.365 0.000 0.737) 0.822 3.794 ( 0.145 0.000 -5.661) 5.663 3.904 ( 0.540 0.000 3.464) 3.506 3.941 ( -3.111 0.000 -0.304) 3.126 4.062 ( 1.221 0.000 5.241) 5.381 4.064 ( -0.590 0.000 -2.816) 2.877 4.177 ( 2.458 0.000 3.167) 4.009 4.229 ( 6.485 0.000 -3.449) 7.345 4.243 ( -1.598 0.000 3.537) 3.881 4.333 ( 0.066 0.000 -8.284) 8.284 4.605 ( -0.236 0.000 8.008) 8.012 4.713 ( 2.152 0.000 -9.890) 10.122 4.761 ( -8.449 0.000 1.407) 8.565 4.808 ( -0.291 0.000 -1.614) 1.641 4.816 ( -4.590 0.000 -4.087) 6.146 4.884 ( 2.177 0.000 2.911) 3.635 4.968 ( 0.054 0.000 -0.276) 0.281 5.005 ( 4.499 0.000 2.950) 5.380 5.254 ( -4.212 0.000 3.944) 5.770 5.381 ( -1.854 0.000 -9.504) 9.683 5.498 ( -3.932 0.000 6.476) 7.576 5.540 ( -4.141 0.000 1.858) 4.539 5.621 ( -0.066 0.000 1.429) 1.430 5.623 ( 2.310 0.000 -2.136) 3.146 5.869 ( -7.307 0.000 -1.201) 7.405 5.925 ( -1.607 0.000 -2.458) 2.937 5.938 ( -1.625 0.000 2.477) 2.962 6.018 ( 1.063 0.000 -3.369) 3.533 6.052 ( -3.634 0.000 -2.732) 4.546 6.083 ( 0.186 0.000 1.952) 1.960 6.128 ( -7.496 0.000 6.588) 9.979 6.156 ( -2.015 0.000 4.418) 4.856 6.233 ( -2.334 0.000 -0.187) 2.342 6.341 ( -2.001 0.000 3.122) 3.708 6.419 ( 4.136 0.000 -8.306) 9.279 6.487 ( -0.605 0.000 4.077) 4.121 6.808 ( -0.340 0.000 3.550) 3.566 6.846 ( -1.506 0.000 -10.779) 10.883 6.887 ( 1.372 0.000 3.922) 4.155 6.941 ( 1.693 0.000 -3.999) 4.342 7.155 ( -5.690 0.000 -0.902) 5.761 7.192 ( -7.869 0.000 2.673) 8.311 7.254 ( -1.563 0.000 -1.545) 2.197 7.271 ( -0.810 0.000 -2.080) 2.232 7.299 ( -4.269 0.000 -2.664) 5.033 7.315 ( 1.614 0.000 -0.260) 1.635 7.439 ( 5.044 0.000 5.737) 7.639 7.453 ( 1.601 0.000 -4.196) 4.491 7.554 ( 8.494 0.000 5.119) 9.917 7.611 ( 2.920 0.000 3.769) 4.768 7.715 ( 7.248 0.000 -5.371) 9.021 7.751 ( 2.271 0.000 -2.101) 3.094 7.991 ( 3.446 0.000 1.258) 3.668 7.996 ( 0.774 0.000 -2.699) 2.808 8.132 ( -3.145 0.000 4.611) 5.581 8.220 ( -0.491 0.000 -2.178) 2.232 8.492 ( 5.743 0.000 2.722) 6.355 8.580 ( -0.050 0.000 4.591) 4.591 8.679 ( 10.372 0.000 1.845) 10.534 8.793 ( 6.158 0.000 -9.464) 11.292 9.007 ( -0.904 0.000 -2.497) 2.655 9.044 ( 2.467 0.000 0.818) 2.599 9.461 ( 0.126 0.000 -2.653) 2.656 9.482 ( 5.527 0.000 5.526) 7.816 9.671 ( -3.811 0.000 10.144) 10.837 9.811 ( -1.418 0.000 -1.989) 2.442 9.938 ( 0.897 0.000 0.842) 1.230 9.968 ( 0.914 0.000 -8.289) 8.339 10.269 ( -0.549 0.000 0.200) 0.584 10.275 ( 0.556 0.000 1.321) 1.433 11.862 ( -0.236 0.000 2.721) 2.731 11.869 ( -1.622 0.000 -2.808) 3.243 12.024 ( -1.523 0.000 1.121) 1.891 12.028 ( -2.832 0.000 -0.904) 2.972 13.696 ( 1.038 0.000 4.347) 4.469 13.820 ( 6.476 0.000 -2.020) 6.784 14.274 ( 1.766 0.000 3.447) 3.873 14.322 ( -0.309 0.000 -5.103) 5.113 14.364 ( -0.110 0.000 -1.536) 1.540 14.391 ( 0.311 0.000 1.852) 1.878 14.723 ( -0.742 0.000 -0.674) 1.002 14.723 ( -0.498 0.000 0.593) 0.775 14.839 ( -1.767 0.000 -3.482) 3.905 14.876 ( -2.849 0.000 2.471) 3.771 14.900 ( 1.574 0.000 1.741) 2.347 15.031 ( 0.516 0.000 0.162) 0.541 15.044 ( 0.853 0.000 -6.004) 6.064 15.052 ( 0.431 0.000 4.557) 4.577 15.340 ( -2.652 0.000 3.271) 4.211 15.391 ( -1.062 0.000 -3.082) 3.259 15.515 ( -8.041 0.000 0.943) 8.096 15.658 ( -0.772 0.000 -1.902) 2.053 15.705 ( 5.391 0.000 0.973) 5.478 15.874 ( 9.287 0.000 -2.734) 9.681 16.317 ( -8.269 0.000 -3.476) 8.970 16.470 ( 2.845 0.000 4.575) 5.387 16.594 ( -2.715 0.000 -2.564) 3.734 16.680 ( 3.448 0.000 0.213) 3.455 17.098 ( -1.331 0.000 0.229) 1.350 17.136 ( 1.620 0.000 -0.643) 1.743 17.193 ( -5.158 0.000 4.381) 6.768 17.324 ( 1.556 0.000 2.744) 3.155 17.349 ( -2.203 0.000 -3.381) 4.036 17.426 ( 2.531 0.000 -5.253) 5.831 17.522 ( -8.984 0.000 5.003) 10.284 17.687 ( -2.708 0.000 1.318) 3.012 17.850 ( 1.311 0.000 4.048) 4.255 17.984 ( 6.579 0.000 -2.782) 7.143 18.204 ( -0.142 0.000 8.079) 8.081 18.269 ( -0.174 0.000 -6.180) 6.182 18.497 ( -0.360 0.000 -2.657) 2.682 18.530 ( 3.687 0.000 1.590) 4.015 19.156 ( -0.996 0.000 1.360) 1.686 19.193 ( 2.016 0.000 2.850) 3.491 19.414 ( -1.560 0.000 1.354) 2.065 19.454 ( 0.030 0.000 -2.112) 2.112 19.849 ( -3.923 0.000 -3.742) 5.421 19.948 ( 4.322 0.000 5.358) 6.884 19.962 ( -0.433 0.000 1.008) 1.097 19.982 ( -0.077 0.000 -1.797) 1.799 20.519 ( -8.592 0.000 -4.132) 9.534 20.680 ( 3.937 0.000 3.926) 5.560 20.895 ( -20.580 0.000 -4.247) 21.013 21.291 ( -1.579 0.000 -1.549) 2.212 21.475 ( -3.669 0.000 0.196) 3.675 21.584 ( 2.206 0.000 -0.015) 2.206 21.674 ( -1.509 0.000 -3.388) 3.709 21.688 ( 1.490 0.000 1.894) 2.410 21.840 ( 0.336 0.000 1.240) 1.285 21.886 ( 1.000 0.000 -1.455) 1.766 22.168 ( 2.222 0.000 2.584) 3.409 22.260 ( 1.873 0.000 -1.986) 2.730 22.458 ( 8.655 0.000 -0.262) 8.659 22.521 ( 10.175 0.000 1.277) 10.255 ======================= Grid point 87 (42/78) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 4.589 0.000 -5.552) 7.203 1.417 ( 1.228 0.000 -0.965) 1.562 1.475 ( 12.645 0.000 5.219) 13.680 1.590 ( 11.481 0.000 -20.937) 23.879 1.830 ( 9.373 0.000 -3.734) 10.090 1.913 ( 13.842 0.000 3.483) 14.273 2.014 ( -10.999 0.000 -2.376) 11.252 2.177 ( -1.479 0.000 -2.294) 2.729 2.248 ( -1.677 0.000 -3.722) 4.083 2.411 ( 1.959 0.000 1.465) 2.446 2.478 ( -0.122 0.000 -2.716) 2.719 2.494 ( -7.229 0.000 5.309) 8.969 2.657 ( -5.371 0.000 2.305) 5.844 2.684 ( -3.872 0.000 2.692) 4.715 2.745 ( 0.366 0.000 -15.901) 15.905 2.752 ( -4.778 0.000 -0.065) 4.779 2.762 ( 1.803 0.000 -1.472) 2.327 2.871 ( 4.136 0.000 -2.618) 4.895 2.938 ( -8.196 0.000 -0.911) 8.247 2.999 ( -0.246 0.000 0.534) 0.588 3.053 ( -5.564 0.000 -0.673) 5.604 3.100 ( 0.356 0.000 0.424) 0.554 3.159 ( -1.322 0.000 -1.516) 2.012 3.184 ( 4.201 0.000 -8.360) 9.356 3.270 ( 1.337 0.000 -4.973) 5.149 3.271 ( 3.002 0.000 0.647) 3.071 3.361 ( -5.548 0.000 13.269) 14.383 3.431 ( -1.958 0.000 1.271) 2.335 3.489 ( 6.196 0.000 0.149) 6.198 3.540 ( -2.583 0.000 -2.191) 3.387 3.653 ( 1.562 0.000 2.840) 3.241 3.677 ( 5.981 0.000 -1.658) 6.207 3.715 ( -5.223 0.000 -1.804) 5.526 3.727 ( 2.866 0.000 5.088) 5.840 3.746 ( 1.505 0.000 2.665) 3.060 3.776 ( 6.653 0.000 2.357) 7.058 3.887 ( 1.438 0.000 0.590) 1.554 3.962 ( 4.424 0.000 0.205) 4.429 4.063 ( -2.090 0.000 -2.141) 2.992 4.139 ( -0.468 0.000 1.154) 1.245 4.170 ( -1.918 0.000 -5.308) 5.644 4.207 ( 2.297 0.000 -3.344) 4.057 4.243 ( 1.485 0.000 2.052) 2.533 4.291 ( 7.054 0.000 -7.040) 9.966 4.513 ( -7.352 0.000 -2.112) 7.649 4.664 ( -4.641 0.000 -2.927) 5.487 4.725 ( -1.779 0.000 -2.226) 2.849 4.763 ( 4.452 0.000 1.278) 4.631 4.884 ( -6.284 0.000 0.275) 6.290 4.928 ( 3.448 0.000 9.430) 10.041 5.007 ( 3.295 0.000 4.289) 5.409 5.117 ( -0.249 0.000 2.327) 2.341 5.188 ( -5.203 0.000 -1.121) 5.323 5.195 ( -5.171 0.000 -3.244) 6.105 5.526 ( -1.309 0.000 4.093) 4.297 5.527 ( -3.048 0.000 5.163) 5.996 5.638 ( 0.439 0.000 1.225) 1.301 5.646 ( 0.632 0.000 0.367) 0.731 5.762 ( -3.384 0.000 1.716) 3.794 5.839 ( -5.146 0.000 -0.611) 5.182 5.924 ( -5.869 0.000 0.929) 5.942 5.934 ( -7.063 0.000 -2.746) 7.578 5.974 ( -5.398 0.000 0.049) 5.399 6.092 ( -1.745 0.000 4.943) 5.242 6.152 ( -4.504 0.000 8.075) 9.246 6.187 ( 3.697 0.000 3.269) 4.935 6.256 ( 0.099 0.000 8.075) 8.075 6.377 ( -0.342 0.000 2.452) 2.475 6.402 ( 6.819 0.000 -6.784) 9.619 6.550 ( 0.235 0.000 2.068) 2.082 6.669 ( 1.265 0.000 -10.954) 11.027 6.746 ( -7.023 0.000 -1.152) 7.116 6.866 ( 1.842 0.000 -8.487) 8.685 6.893 ( -2.399 0.000 -0.428) 2.437 7.053 ( -4.362 0.000 -1.230) 4.532 7.109 ( -5.311 0.000 0.294) 5.319 7.207 ( -1.259 0.000 -0.457) 1.340 7.269 ( 1.721 0.000 0.138) 1.726 7.304 ( 1.178 0.000 2.692) 2.939 7.344 ( 0.744 0.000 1.026) 1.267 7.447 ( 2.296 0.000 -2.220) 3.193 7.597 ( 3.945 0.000 5.524) 6.788 7.694 ( 2.108 0.000 2.452) 3.234 7.709 ( 0.723 0.000 6.734) 6.773 7.751 ( 6.885 0.000 -5.514) 8.820 7.760 ( 2.880 0.000 -2.692) 3.942 7.954 ( 0.416 0.000 -3.084) 3.112 8.059 ( 5.598 0.000 -2.510) 6.135 8.135 ( -3.980 0.000 5.630) 6.895 8.216 ( 3.559 0.000 -3.066) 4.697 8.571 ( 2.349 0.000 -1.187) 2.631 8.635 ( -2.763 0.000 6.315) 6.893 8.841 ( 9.255 0.000 -4.195) 10.162 8.909 ( 12.361 0.000 3.433) 12.829 8.967 ( 3.494 0.000 -2.430) 4.256 9.072 ( 1.592 0.000 -1.791) 2.396 9.493 ( 1.772 0.000 4.365) 4.711 9.676 ( 4.196 0.000 5.425) 6.858 9.716 ( -4.959 0.000 5.811) 7.639 9.762 ( 2.921 0.000 -4.639) 5.482 9.877 ( 0.151 0.000 -4.099) 4.102 9.949 ( 0.223 0.000 -0.874) 0.902 10.233 ( -1.634 0.000 -3.082) 3.488 10.285 ( 0.518 0.000 -0.303) 0.600 11.809 ( -1.161 0.000 -2.389) 2.656 11.873 ( -2.153 0.000 1.288) 2.509 11.969 ( -3.137 0.000 -0.562) 3.187 11.999 ( -1.893 0.000 -0.366) 1.928 13.785 ( 2.102 0.000 4.721) 5.168 13.955 ( 10.339 0.000 2.657) 10.675 14.234 ( -1.694 0.000 -3.251) 3.666 14.360 ( 2.628 0.000 2.852) 3.879 14.399 ( 3.907 0.000 0.089) 3.908 14.400 ( -2.698 0.000 2.837) 3.915 14.693 ( -0.361 0.000 -2.248) 2.277 14.717 ( -0.517 0.000 -0.080) 0.523 14.746 ( -2.303 0.000 -4.519) 5.072 14.851 ( -2.567 0.000 0.501) 2.615 14.901 ( -1.551 0.000 -3.931) 4.226 14.932 ( -0.498 0.000 -4.311) 4.339 15.061 ( -4.241 0.000 3.449) 5.466 15.109 ( 4.007 0.000 -0.888) 4.104 15.326 ( -3.746 0.000 2.119) 4.304 15.329 ( -5.282 0.000 -1.748) 5.564 15.468 ( 2.153 0.000 2.279) 3.136 15.652 ( 2.240 0.000 -0.609) 2.321 15.789 ( 4.423 0.000 -0.580) 4.461 15.930 ( 5.508 0.000 -5.639) 7.883 16.134 ( -7.982 0.000 -4.828) 9.329 16.480 ( -4.033 0.000 -3.721) 5.488 16.594 ( 1.196 0.000 6.625) 6.732 16.733 ( 2.628 0.000 0.886) 2.773 17.084 ( -2.528 0.000 2.303) 3.420 17.156 ( 2.005 0.000 -0.949) 2.218 17.183 ( -3.129 0.000 2.840) 4.225 17.277 ( -1.835 0.000 -1.565) 2.411 17.361 ( 1.645 0.000 -6.321) 6.532 17.382 ( -0.481 0.000 2.048) 2.103 17.490 ( -4.701 0.000 4.688) 6.639 17.645 ( -3.993 0.000 1.561) 4.287 17.941 ( 0.035 0.000 4.471) 4.471 18.015 ( 4.471 0.000 -5.459) 7.056 18.197 ( 1.413 0.000 -3.683) 3.944 18.321 ( 0.710 0.000 7.948) 7.979 18.495 ( 1.944 0.000 -0.184) 1.953 18.622 ( 4.527 0.000 2.264) 5.062 19.109 ( -6.658 0.000 -0.928) 6.722 19.264 ( -1.341 0.000 2.259) 2.628 19.430 ( 2.882 0.000 1.281) 3.154 19.471 ( 6.375 0.000 1.247) 6.495 19.782 ( -1.723 0.000 -0.592) 1.821 19.934 ( -3.060 0.000 -1.780) 3.540 19.983 ( 1.072 0.000 1.866) 2.152 20.079 ( 3.638 0.000 4.353) 5.673 20.335 ( -8.562 0.000 -2.761) 8.996 20.481 ( -18.016 0.000 -8.963) 20.122 20.758 ( 0.142 0.000 2.067) 2.072 21.214 ( -4.816 0.000 -1.363) 5.005 21.410 ( -3.849 0.000 -0.409) 3.871 21.555 ( -3.361 0.000 -2.099) 3.962 21.652 ( 2.104 0.000 -0.429) 2.147 21.732 ( 0.889 0.000 1.649) 1.873 21.866 ( 1.441 0.000 0.677) 1.592 21.906 ( 2.941 0.000 -0.898) 3.075 22.250 ( 3.604 0.000 1.631) 3.956 22.267 ( 2.401 0.000 -1.557) 2.862 22.573 ( 7.592 0.000 -1.200) 7.686 22.722 ( 8.567 0.000 4.329) 9.598 ======================= Grid point 88 (43/78) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 10.562 0.000 4.012) 11.298 1.465 ( 11.837 0.000 -20.365) 23.555 1.486 ( 10.143 0.000 -0.974) 10.190 1.619 ( 2.342 0.000 -8.167) 8.496 1.843 ( -4.794 0.000 1.532) 5.032 1.882 ( 5.964 0.000 -1.410) 6.129 2.003 ( 1.860 0.000 -4.588) 4.951 2.222 ( 6.799 0.000 0.184) 6.801 2.288 ( 2.963 0.000 0.191) 2.969 2.359 ( -3.824 0.000 -7.649) 8.552 2.365 ( -2.497 0.000 -11.279) 11.552 2.460 ( -3.822 0.000 6.357) 7.417 2.549 ( -4.843 0.000 -3.182) 5.795 2.613 ( -5.603 0.000 0.157) 5.605 2.675 ( 8.708 0.000 -9.169) 12.645 2.703 ( -3.824 0.000 2.644) 4.650 2.761 ( -8.114 0.000 -0.401) 8.124 2.780 ( -3.163 0.000 5.085) 5.989 2.909 ( 5.797 0.000 -2.385) 6.269 3.004 ( -3.211 0.000 -3.355) 4.644 3.045 ( -0.569 0.000 5.383) 5.413 3.074 ( -0.317 0.000 -0.635) 0.710 3.101 ( -0.967 0.000 -4.980) 5.073 3.218 ( 1.479 0.000 -7.771) 7.910 3.262 ( 4.819 0.000 -0.470) 4.842 3.272 ( 5.252 0.000 6.632) 8.460 3.415 ( -5.719 0.000 5.848) 8.180 3.429 ( 1.115 0.000 3.502) 3.675 3.526 ( -0.755 0.000 0.319) 0.820 3.551 ( -0.392 0.000 -0.470) 0.612 3.593 ( -4.404 0.000 -2.958) 5.306 3.627 ( 4.195 0.000 -7.586) 8.668 3.666 ( -7.020 0.000 -2.187) 7.353 3.695 ( 0.322 0.000 1.505) 1.539 3.825 ( 0.506 0.000 -4.376) 4.405 3.896 ( -0.083 0.000 1.443) 1.445 3.932 ( -2.334 0.000 -7.257) 7.623 4.006 ( 2.538 0.000 -2.702) 3.707 4.028 ( 8.466 0.000 1.249) 8.558 4.042 ( 1.746 0.000 -5.222) 5.506 4.198 ( -1.512 0.000 3.141) 3.486 4.220 ( 4.435 0.000 -8.286) 9.398 4.305 ( 1.597 0.000 5.586) 5.810 4.307 ( 1.170 0.000 0.681) 1.354 4.447 ( 0.675 0.000 -0.327) 0.750 4.486 ( -11.643 0.000 -0.821) 11.672 4.652 ( -2.901 0.000 -1.632) 3.329 4.783 ( -0.137 0.000 0.846) 0.857 4.830 ( 0.259 0.000 -4.286) 4.294 4.968 ( -2.386 0.000 -0.309) 2.406 5.020 ( -2.339 0.000 -3.295) 4.041 5.031 ( -4.193 0.000 -2.219) 4.744 5.220 ( 4.016 0.000 1.840) 4.417 5.243 ( -2.230 0.000 9.808) 10.058 5.497 ( -5.830 0.000 -0.680) 5.869 5.586 ( -2.986 0.000 1.608) 3.391 5.703 ( -0.084 0.000 5.590) 5.591 5.720 ( -1.766 0.000 1.121) 2.091 5.721 ( 3.491 0.000 7.502) 8.274 5.760 ( -5.744 0.000 6.789) 8.893 5.823 ( -1.191 0.000 -1.125) 1.639 5.904 ( -3.234 0.000 4.909) 5.879 5.943 ( 2.201 0.000 -0.016) 2.201 6.158 ( -1.605 0.000 1.648) 2.301 6.195 ( -1.149 0.000 12.440) 12.492 6.228 ( -6.970 0.000 8.053) 10.650 6.347 ( -3.569 0.000 0.984) 3.702 6.395 ( 2.463 0.000 0.599) 2.535 6.482 ( 10.287 0.000 -2.011) 10.482 6.539 ( -1.299 0.000 0.779) 1.515 6.659 ( 6.494 0.000 -3.892) 7.571 6.684 ( -0.156 0.000 4.256) 4.259 6.814 ( 4.472 0.000 -4.802) 6.562 6.856 ( -2.132 0.000 0.333) 2.157 6.971 ( -5.674 0.000 -0.607) 5.706 7.055 ( -1.228 0.000 -0.389) 1.289 7.235 ( 4.011 0.000 2.488) 4.720 7.298 ( 3.253 0.000 -2.627) 4.181 7.334 ( 1.207 0.000 -0.380) 1.265 7.355 ( -2.762 0.000 3.533) 4.484 7.423 ( -1.916 0.000 -3.005) 3.564 7.689 ( -1.759 0.000 -1.305) 2.190 7.698 ( 1.099 0.000 2.972) 3.168 7.760 ( 1.397 0.000 -2.871) 3.193 7.781 ( 2.389 0.000 -0.762) 2.507 7.807 ( 1.562 0.000 3.993) 4.287 7.970 ( 3.765 0.000 0.948) 3.883 8.066 ( -2.238 0.000 0.842) 2.391 8.175 ( 1.402 0.000 0.998) 1.721 8.219 ( 3.285 0.000 -5.223) 6.171 8.578 ( 1.520 0.000 -0.853) 1.743 8.661 ( -4.485 0.000 5.987) 7.481 8.860 ( 1.572 0.000 -1.731) 2.338 9.028 ( -0.722 0.000 -5.696) 5.742 9.102 ( 5.392 0.000 3.961) 6.690 9.110 ( 15.041 0.000 -2.454) 15.240 9.589 ( -1.066 0.000 6.351) 6.440 9.649 ( -8.028 0.000 -0.208) 8.030 9.670 ( -4.832 0.000 2.489) 5.436 9.704 ( 0.371 0.000 -9.910) 9.917 9.928 ( 0.899 0.000 -2.916) 3.051 9.985 ( 8.401 0.000 3.238) 9.004 10.147 ( -2.174 0.000 -4.131) 4.668 10.297 ( 0.632 0.000 0.357) 0.725 11.779 ( 0.419 0.000 -1.154) 1.228 11.836 ( -2.258 0.000 -0.858) 2.415 11.925 ( -1.987 0.000 0.128) 1.991 11.971 ( -0.786 0.000 -0.670) 1.033 13.874 ( -0.014 0.000 5.799) 5.799 14.168 ( 6.730 0.000 5.813) 8.893 14.209 ( 1.811 0.000 -0.126) 1.816 14.349 ( -4.280 0.000 2.194) 4.810 14.451 ( 2.170 0.000 -0.530) 2.234 14.455 ( 0.159 0.000 3.357) 3.361 14.662 ( 1.280 0.000 -2.517) 2.824 14.664 ( -0.852 0.000 -2.590) 2.727 14.733 ( 2.860 0.000 0.086) 2.861 14.757 ( -4.634 0.000 -5.645) 7.303 14.822 ( 0.092 0.000 -2.526) 2.528 14.904 ( 2.017 0.000 -1.864) 2.747 15.055 ( -2.057 0.000 1.916) 2.811 15.126 ( 1.491 0.000 -3.207) 3.537 15.238 ( -2.181 0.000 -1.427) 2.607 15.285 ( -3.470 0.000 0.317) 3.484 15.530 ( -0.401 0.000 1.269) 1.331 15.717 ( 4.029 0.000 2.314) 4.646 15.794 ( 0.148 0.000 -5.118) 5.121 15.929 ( 5.431 0.000 -5.404) 7.661 15.979 ( -2.311 0.000 -3.533) 4.221 16.340 ( -5.913 0.000 -5.449) 8.041 16.707 ( 0.225 0.000 7.511) 7.514 16.787 ( 2.033 0.000 1.707) 2.655 17.082 ( -2.514 0.000 3.016) 3.927 17.152 ( -1.986 0.000 -0.922) 2.189 17.164 ( 1.269 0.000 -1.929) 2.308 17.271 ( -0.989 0.000 3.338) 3.482 17.282 ( 0.453 0.000 -5.769) 5.787 17.413 ( 1.200 0.000 0.505) 1.302 17.488 ( -3.138 0.000 3.856) 4.972 17.626 ( -2.202 0.000 2.896) 3.638 17.906 ( -4.469 0.000 -3.303) 5.557 17.978 ( 1.605 0.000 -6.866) 7.051 18.257 ( 4.593 0.000 4.355) 6.330 18.421 ( -0.400 0.000 5.948) 5.961 18.534 ( 2.206 0.000 0.751) 2.331 18.716 ( 4.083 0.000 0.862) 4.172 18.967 ( -7.333 0.000 -1.552) 7.495 19.191 ( -4.841 0.000 -3.607) 6.037 19.511 ( 3.486 0.000 1.375) 3.747 19.620 ( 3.477 0.000 1.474) 3.777 19.757 ( -1.975 0.000 1.279) 2.353 19.850 ( -2.180 0.000 -0.778) 2.315 20.039 ( 2.026 0.000 1.109) 2.309 20.189 ( -2.772 0.000 -4.578) 5.352 20.217 ( -4.019 0.000 1.989) 4.485 20.222 ( 2.784 0.000 6.104) 6.709 20.734 ( -2.925 0.000 -1.951) 3.516 21.113 ( -4.019 0.000 -3.713) 5.472 21.366 ( -1.542 0.000 0.389) 1.590 21.478 ( -2.109 0.000 -2.537) 3.300 21.691 ( 2.078 0.000 1.125) 2.363 21.754 ( -0.504 0.000 1.130) 1.238 21.901 ( 1.516 0.000 0.864) 1.745 21.938 ( 2.274 0.000 -0.664) 2.369 22.292 ( 2.433 0.000 -0.548) 2.494 22.307 ( 1.529 0.000 0.814) 1.732 22.668 ( 6.089 0.000 -0.072) 6.090 22.844 ( 0.346 0.000 2.748) 2.770 ======================= Grid point 89 (44/78) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -8.797 0.000 -13.165) 15.833 1.362 ( -11.793 0.000 1.552) 11.895 1.605 ( 16.359 0.000 -17.838) 24.204 1.607 ( 14.041 0.000 -11.286) 18.014 1.931 ( -0.007 0.000 1.264) 1.264 1.946 ( -6.329 0.000 11.184) 12.850 2.072 ( 12.077 0.000 6.663) 13.793 2.182 ( -4.737 0.000 -6.752) 8.248 2.185 ( -0.546 0.000 -6.590) 6.612 2.248 ( -0.003 0.000 -3.015) 3.015 2.334 ( 0.825 0.000 3.686) 3.777 2.412 ( -13.369 0.000 -1.837) 13.494 2.513 ( 2.706 0.000 -2.492) 3.679 2.545 ( 3.677 0.000 1.783) 4.086 2.646 ( -6.019 0.000 2.631) 6.569 2.690 ( 2.298 0.000 -2.726) 3.565 2.769 ( -0.756 0.000 5.735) 5.785 2.796 ( -3.999 0.000 5.008) 6.409 2.913 ( -4.563 0.000 -11.724) 12.581 2.919 ( 2.554 0.000 -10.284) 10.596 2.993 ( -2.923 0.000 -1.989) 3.536 2.999 ( 4.896 0.000 3.823) 6.212 3.137 ( -1.598 0.000 9.518) 9.652 3.191 ( 1.938 0.000 -5.058) 5.417 3.354 ( -1.020 0.000 -0.561) 1.164 3.405 ( 0.265 0.000 2.385) 2.400 3.426 ( -0.023 0.000 2.897) 2.897 3.454 ( -2.041 0.000 -1.248) 2.392 3.516 ( -0.512 0.000 1.507) 1.591 3.545 ( 4.998 0.000 -5.124) 7.158 3.556 ( 4.206 0.000 4.264) 5.989 3.580 ( 1.115 0.000 2.277) 2.535 3.632 ( 0.019 0.000 2.879) 2.879 3.705 ( 2.637 0.000 -3.205) 4.150 3.717 ( -2.615 0.000 -5.474) 6.066 3.805 ( -0.536 0.000 -8.484) 8.501 3.810 ( -1.801 0.000 -7.952) 8.154 3.894 ( -3.790 0.000 -6.870) 7.846 4.060 ( 1.795 0.000 -1.532) 2.360 4.089 ( 1.891 0.000 -5.235) 5.566 4.158 ( -2.873 0.000 -0.597) 2.934 4.230 ( 6.279 0.000 -3.571) 7.224 4.281 ( -7.766 0.000 1.929) 8.002 4.311 ( 4.989 0.000 0.195) 4.993 4.482 ( 4.086 0.000 -0.938) 4.193 4.543 ( 4.903 0.000 1.164) 5.040 4.644 ( -0.874 0.000 4.333) 4.420 4.781 ( 3.813 0.000 2.126) 4.366 4.807 ( 1.626 0.000 -2.699) 3.151 4.910 ( -5.069 0.000 -1.551) 5.301 4.981 ( 0.570 0.000 -0.624) 0.845 5.002 ( 3.033 0.000 1.167) 3.250 5.239 ( 1.323 0.000 -1.203) 1.788 5.290 ( -6.024 0.000 4.850) 7.733 5.382 ( -6.839 0.000 1.372) 6.976 5.438 ( -4.140 0.000 -6.304) 7.542 5.752 ( 0.573 0.000 4.419) 4.456 5.757 ( -3.307 0.000 4.514) 5.596 5.813 ( 0.584 0.000 7.331) 7.354 5.857 ( 3.497 0.000 0.633) 3.553 5.904 ( -1.099 0.000 0.456) 1.190 5.905 ( 0.447 0.000 5.635) 5.653 6.000 ( 1.020 0.000 1.579) 1.879 6.121 ( -3.156 0.000 -1.119) 3.348 6.292 ( -1.164 0.000 11.860) 11.917 6.325 ( -3.045 0.000 2.545) 3.968 6.366 ( -3.896 0.000 1.851) 4.313 6.390 ( 2.928 0.000 11.631) 11.994 6.532 ( -1.438 0.000 0.817) 1.654 6.614 ( 7.130 0.000 -0.648) 7.159 6.676 ( 3.942 0.000 -4.309) 5.840 6.768 ( -2.111 0.000 1.795) 2.771 6.842 ( 0.033 0.000 1.029) 1.030 6.886 ( 7.319 0.000 -0.234) 7.322 6.898 ( 0.141 0.000 0.953) 0.963 7.062 ( 1.367 0.000 0.910) 1.642 7.253 ( 0.464 0.000 -7.734) 7.748 7.283 ( -3.607 0.000 -7.080) 7.946 7.373 ( 4.425 0.000 3.967) 5.943 7.391 ( -1.618 0.000 5.842) 6.062 7.418 ( 4.498 0.000 6.367) 7.795 7.581 ( -7.184 0.000 -2.979) 7.777 7.714 ( -1.364 0.000 -2.873) 3.180 7.778 ( -3.109 0.000 0.630) 3.173 7.779 ( 4.160 0.000 1.819) 4.540 7.843 ( 1.370 0.000 -2.658) 2.990 8.031 ( -5.446 0.000 2.920) 6.179 8.069 ( 4.190 0.000 3.328) 5.351 8.165 ( -0.489 0.000 -5.686) 5.707 8.170 ( -1.169 0.000 -1.943) 2.267 8.623 ( 2.954 0.000 2.983) 4.198 8.665 ( -5.026 0.000 5.806) 7.679 8.886 ( 4.820 0.000 -2.090) 5.254 8.896 ( -3.151 0.000 -8.204) 8.788 9.197 ( -0.457 0.000 3.578) 3.607 9.305 ( 13.755 0.000 -2.180) 13.927 9.441 ( -9.315 0.000 -4.153) 10.199 9.554 ( -2.830 0.000 -8.842) 9.284 9.658 ( -4.015 0.000 6.500) 7.640 9.681 ( -1.344 0.000 7.612) 7.730 9.896 ( 0.633 0.000 -3.873) 3.925 10.008 ( 1.588 0.000 -9.003) 9.142 10.180 ( 3.720 0.000 4.708) 6.001 10.289 ( -1.580 0.000 -1.285) 2.037 11.785 ( 1.532 0.000 -0.567) 1.633 11.800 ( -0.678 0.000 -1.053) 1.252 11.913 ( -0.507 0.000 0.902) 1.035 11.952 ( -0.304 0.000 -0.972) 1.018 13.947 ( -2.359 0.000 8.640) 8.956 14.220 ( -3.645 0.000 1.486) 3.937 14.281 ( 4.812 0.000 2.290) 5.329 14.307 ( -4.472 0.000 -3.558) 5.714 14.450 ( 0.455 0.000 -1.434) 1.504 14.456 ( -2.579 0.000 2.050) 3.294 14.652 ( 1.347 0.000 -0.086) 1.350 14.671 ( -0.576 0.000 0.205) 0.611 14.680 ( 0.334 0.000 0.145) 0.364 14.806 ( 5.885 0.000 -0.494) 5.906 14.821 ( 3.505 0.000 -0.999) 3.645 14.925 ( 2.607 0.000 -2.501) 3.612 15.056 ( 0.529 0.000 -0.014) 0.529 15.071 ( -1.895 0.000 -3.078) 3.615 15.215 ( 0.141 0.000 -0.447) 0.469 15.241 ( -1.070 0.000 -1.255) 1.649 15.500 ( -1.813 0.000 0.277) 1.834 15.676 ( -2.023 0.000 -8.666) 8.899 15.785 ( -0.753 0.000 3.386) 3.469 15.947 ( 4.951 0.000 -4.936) 6.991 16.017 ( 7.242 0.000 1.764) 7.453 16.155 ( -7.772 0.000 -6.188) 9.935 16.783 ( -2.042 0.000 5.457) 5.827 16.836 ( 0.880 0.000 1.820) 2.022 17.083 ( -2.551 0.000 3.033) 3.963 17.120 ( -0.357 0.000 -0.848) 0.920 17.145 ( 0.231 0.000 -2.324) 2.336 17.233 ( 1.923 0.000 -4.359) 4.765 17.324 ( -0.145 0.000 5.891) 5.893 17.435 ( 1.803 0.000 -0.761) 1.957 17.495 ( -2.506 0.000 3.766) 4.524 17.645 ( -0.741 0.000 2.280) 2.397 17.782 ( -2.513 0.000 -4.537) 5.186 17.891 ( -0.309 0.000 -6.899) 6.906 18.402 ( 3.852 0.000 5.733) 6.906 18.457 ( -3.467 0.000 3.779) 5.129 18.581 ( 1.791 0.000 2.206) 2.842 18.704 ( -3.686 0.000 -3.780) 5.280 18.931 ( 2.901 0.000 2.005) 3.526 19.066 ( -2.675 0.000 -5.082) 5.743 19.537 ( -1.834 0.000 0.851) 2.022 19.588 ( -2.794 0.000 -1.539) 3.190 19.776 ( 1.141 0.000 2.644) 2.880 19.864 ( 1.936 0.000 -1.122) 2.238 20.038 ( -1.755 0.000 0.256) 1.774 20.088 ( -2.508 0.000 -2.248) 3.368 20.298 ( 4.934 0.000 6.291) 7.995 20.432 ( 5.828 0.000 5.263) 7.853 20.670 ( 0.058 0.000 0.916) 0.918 20.982 ( -2.908 0.000 -8.141) 8.644 21.371 ( 0.678 0.000 1.015) 1.221 21.428 ( -0.205 0.000 -2.248) 2.257 21.739 ( 1.884 0.000 1.314) 2.297 21.747 ( -1.815 0.000 0.497) 1.882 21.924 ( -0.352 0.000 0.871) 0.940 21.953 ( 0.651 0.000 -0.595) 0.882 22.316 ( -1.319 0.000 0.229) 1.339 22.321 ( 1.456 0.000 0.081) 1.458 22.766 ( 5.348 0.000 1.815) 5.648 22.813 ( -5.383 0.000 -0.465) 5.403 ======================= Grid point 90 (45/78) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -17.281 0.000 2.656) 17.484 1.102 ( -20.542 0.000 -0.377) 20.545 1.548 ( 8.883 0.000 -15.059) 17.484 1.632 ( 1.467 0.000 -8.752) 8.874 1.910 ( -12.763 0.000 4.734) 13.612 1.917 ( -7.094 0.000 3.239) 7.799 2.021 ( -11.699 0.000 -5.116) 12.769 2.146 ( -0.235 0.000 -1.346) 1.366 2.160 ( -10.984 0.000 2.561) 11.279 2.226 ( 6.924 0.000 3.642) 7.823 2.239 ( -4.570 0.000 -6.458) 7.912 2.445 ( 9.648 0.000 8.208) 12.667 2.499 ( -5.805 0.000 0.100) 5.806 2.617 ( -0.136 0.000 2.139) 2.143 2.647 ( 5.376 0.000 -4.812) 7.215 2.668 ( -3.617 0.000 -9.460) 10.128 2.712 ( -0.559 0.000 3.713) 3.755 2.814 ( 2.908 0.000 5.715) 6.412 2.851 ( 4.807 0.000 0.544) 4.838 2.870 ( 2.148 0.000 -1.906) 2.871 3.032 ( 2.341 0.000 2.026) 3.096 3.093 ( -1.583 0.000 -2.415) 2.887 3.141 ( -1.138 0.000 -6.479) 6.578 3.174 ( 1.429 0.000 7.920) 8.048 3.338 ( 3.478 0.000 6.973) 7.792 3.384 ( -0.100 0.000 -2.414) 2.416 3.428 ( -0.889 0.000 -0.388) 0.970 3.458 ( 0.280 0.000 1.907) 1.927 3.574 ( 2.470 0.000 -1.427) 2.853 3.595 ( 1.447 0.000 -2.561) 2.942 3.602 ( -2.729 0.000 -1.474) 3.101 3.616 ( -2.045 0.000 -2.821) 3.484 3.642 ( 0.599 0.000 1.019) 1.182 3.691 ( 2.131 0.000 -1.336) 2.515 3.715 ( 3.320 0.000 -1.189) 3.527 3.735 ( 4.903 0.000 2.504) 5.505 3.759 ( 2.358 0.000 0.338) 2.382 3.785 ( 1.162 0.000 -6.165) 6.274 4.001 ( -2.699 0.000 -4.264) 5.046 4.088 ( 5.165 0.000 -0.746) 5.218 4.153 ( -6.348 0.000 -1.680) 6.566 4.190 ( -1.107 0.000 5.938) 6.040 4.203 ( -0.280 0.000 -2.690) 2.705 4.475 ( 8.804 0.000 -2.061) 9.042 4.527 ( 3.894 0.000 -6.669) 7.722 4.620 ( 14.521 0.000 3.033) 14.834 4.712 ( 1.401 0.000 4.863) 5.061 4.762 ( -0.555 0.000 -4.494) 4.528 4.827 ( -0.553 0.000 -4.475) 4.509 4.955 ( 1.829 0.000 -0.096) 1.832 4.980 ( 4.473 0.000 1.829) 4.833 5.028 ( 1.109 0.000 -2.447) 2.686 5.240 ( -1.574 0.000 -0.663) 1.708 5.318 ( 7.051 0.000 7.926) 10.608 5.391 ( 1.832 0.000 1.615) 2.442 5.408 ( 3.205 0.000 5.445) 6.318 5.758 ( -4.067 0.000 4.211) 5.854 5.819 ( -4.407 0.000 -4.337) 6.183 5.823 ( -1.642 0.000 4.886) 5.155 5.889 ( -1.133 0.000 1.369) 1.777 5.911 ( 2.428 0.000 3.071) 3.915 5.927 ( -2.467 0.000 -2.668) 3.634 6.019 ( -2.384 0.000 5.073) 5.605 6.039 ( -2.852 0.000 -3.563) 4.564 6.301 ( -3.067 0.000 1.208) 3.297 6.328 ( -2.440 0.000 2.500) 3.493 6.393 ( -3.261 0.000 2.201) 3.934 6.545 ( 0.888 0.000 1.452) 1.702 6.563 ( 4.629 0.000 3.735) 5.948 6.648 ( 2.759 0.000 -5.141) 5.835 6.686 ( 1.221 0.000 0.373) 1.277 6.687 ( -7.238 0.000 0.644) 7.267 6.849 ( 1.587 0.000 -7.201) 7.374 6.963 ( 0.701 0.000 6.177) 6.217 6.989 ( 6.369 0.000 -1.713) 6.596 7.078 ( 1.992 0.000 -4.605) 5.017 7.155 ( -1.044 0.000 -2.706) 2.900 7.179 ( 0.171 0.000 -0.485) 0.514 7.374 ( -7.212 0.000 -4.065) 8.279 7.443 ( -2.503 0.000 0.383) 2.532 7.495 ( 3.794 0.000 3.340) 5.055 7.575 ( 2.470 0.000 4.365) 5.015 7.681 ( -2.618 0.000 2.132) 3.377 7.729 ( -2.386 0.000 1.662) 2.908 7.779 ( 0.392 0.000 -7.555) 7.565 7.851 ( 1.172 0.000 1.779) 2.131 7.980 ( -6.933 0.000 4.563) 8.300 8.059 ( -4.982 0.000 -1.493) 5.201 8.098 ( -3.115 0.000 -3.612) 4.770 8.182 ( 3.991 0.000 1.729) 4.350 8.668 ( -3.002 0.000 3.734) 4.791 8.745 ( 3.391 0.000 7.473) 8.207 8.746 ( -3.033 0.000 -5.651) 6.413 8.933 ( 6.604 0.000 -4.595) 8.045 9.105 ( -11.135 0.000 -1.607) 11.250 9.348 ( -1.846 0.000 -8.793) 8.985 9.366 ( -1.487 0.000 4.087) 4.349 9.531 ( 9.915 0.000 2.128) 10.141 9.721 ( -2.208 0.000 9.048) 9.313 9.776 ( -0.614 0.000 8.567) 8.589 9.852 ( 1.573 0.000 -4.394) 4.667 9.908 ( 1.977 0.000 -9.566) 9.768 10.210 ( -4.024 0.000 -3.427) 5.286 10.271 ( 1.418 0.000 2.489) 2.865 11.779 ( -0.530 0.000 -0.935) 1.075 11.800 ( 1.291 0.000 -0.629) 1.436 11.929 ( 0.424 0.000 1.365) 1.429 11.939 ( 0.391 0.000 -0.812) 0.901 14.059 ( -1.635 0.000 13.719) 13.816 14.140 ( -7.293 0.000 -5.163) 8.936 14.181 ( -2.296 0.000 0.226) 2.307 14.381 ( 4.262 0.000 0.236) 4.268 14.444 ( -0.706 0.000 0.167) 0.726 14.461 ( 1.335 0.000 2.281) 2.643 14.652 ( 0.017 0.000 -0.970) 0.970 14.695 ( -1.653 0.000 1.778) 2.428 14.697 ( 2.721 0.000 0.885) 2.861 14.838 ( -1.302 0.000 -6.528) 6.656 14.861 ( 0.592 0.000 -0.251) 0.643 14.872 ( 5.537 0.000 -8.786) 10.385 15.030 ( -1.363 0.000 -0.942) 1.657 15.034 ( -2.874 0.000 0.144) 2.878 15.222 ( 0.256 0.000 -0.638) 0.687 15.253 ( 4.785 0.000 0.659) 4.830 15.546 ( 2.009 0.000 5.722) 6.065 15.554 ( 0.092 0.000 -4.650) 4.651 15.792 ( -3.161 0.000 2.403) 3.970 15.903 ( -4.331 0.000 -6.694) 7.973 15.970 ( -2.822 0.000 -4.400) 5.227 16.184 ( 8.704 0.000 3.388) 9.340 16.790 ( -3.690 0.000 2.611) 4.520 16.847 ( -1.814 0.000 0.173) 1.822 17.091 ( -1.294 0.000 2.713) 3.006 17.117 ( -0.328 0.000 1.251) 1.293 17.123 ( 0.409 0.000 -0.889) 0.979 17.213 ( 1.849 0.000 -3.503) 3.961 17.402 ( 0.627 0.000 2.819) 2.888 17.443 ( 2.711 0.000 -3.303) 4.273 17.541 ( -0.935 0.000 9.713) 9.757 17.629 ( 0.964 0.000 -3.579) 3.707 17.764 ( -0.284 0.000 3.821) 3.832 17.804 ( -0.292 0.000 -4.631) 4.641 18.415 ( -5.485 0.000 0.283) 5.492 18.475 ( -1.554 0.000 2.014) 2.544 18.582 ( -4.394 0.000 -3.002) 5.321 18.672 ( 3.339 0.000 4.470) 5.579 18.993 ( 1.588 0.000 -3.800) 4.119 19.038 ( 5.693 0.000 2.883) 6.381 19.513 ( -4.204 0.000 3.801) 5.668 19.541 ( -2.152 0.000 -0.197) 2.161 19.837 ( 2.503 0.000 1.200) 2.776 19.845 ( -0.179 0.000 -3.119) 3.124 20.027 ( -1.821 0.000 2.627) 3.197 20.047 ( -0.732 0.000 -0.078) 0.736 20.422 ( -0.015 0.000 -6.956) 6.956 20.471 ( 7.004 0.000 3.280) 7.734 20.800 ( -2.399 0.000 -12.263) 12.495 20.847 ( 7.566 0.000 9.768) 12.356 21.408 ( 2.102 0.000 1.172) 2.406 21.410 ( 1.503 0.000 -1.962) 2.471 21.713 ( -2.880 0.000 -0.066) 2.881 21.778 ( 1.380 0.000 0.491) 1.465 21.911 ( -2.519 0.000 0.708) 2.617 21.939 ( -1.157 0.000 -0.894) 1.462 22.277 ( -3.835 0.000 0.198) 3.840 22.332 ( -0.067 0.000 -0.204) 0.214 22.697 ( -7.221 0.000 -1.383) 7.352 22.880 ( 5.177 0.000 2.451) 5.728 ======================= Grid point 91 (46/78) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -22.420 0.000 9.708) 24.431 0.832 ( -20.584 0.000 18.300) 27.543 1.346 ( -23.434 0.000 4.313) 23.827 1.554 ( 5.061 0.000 0.115) 5.062 1.714 ( -16.457 0.000 0.663) 16.470 1.731 ( -13.239 0.000 0.462) 13.247 1.889 ( -2.190 0.000 2.185) 3.093 2.123 ( -4.081 0.000 0.624) 4.129 2.138 ( 2.242 0.000 -5.996) 6.401 2.198 ( -5.761 0.000 12.346) 13.624 2.312 ( 1.949 0.000 -1.194) 2.286 2.374 ( -0.071 0.000 -8.376) 8.377 2.568 ( -0.085 0.000 1.259) 1.262 2.646 ( 6.068 0.000 3.193) 6.856 2.667 ( 1.208 0.000 -1.628) 2.027 2.686 ( 0.979 0.000 6.378) 6.452 2.747 ( 2.744 0.000 -0.139) 2.748 2.810 ( -2.396 0.000 -1.399) 2.774 2.946 ( 2.373 0.000 -3.639) 4.345 2.956 ( 5.448 0.000 2.186) 5.870 3.061 ( -0.320 0.000 0.922) 0.976 3.067 ( 6.995 0.000 4.158) 8.137 3.159 ( 3.115 0.000 -1.802) 3.599 3.217 ( -3.545 0.000 -0.252) 3.554 3.382 ( 1.447 0.000 -2.004) 2.472 3.403 ( -0.999 0.000 -5.856) 5.940 3.428 ( -2.072 0.000 -7.311) 7.599 3.484 ( -0.827 0.000 -1.118) 1.391 3.507 ( 1.771 0.000 3.802) 4.194 3.515 ( 3.032 0.000 -0.166) 3.036 3.605 ( 0.397 0.000 1.374) 1.430 3.606 ( 3.483 0.000 2.602) 4.347 3.712 ( 1.221 0.000 4.292) 4.463 3.736 ( -0.873 0.000 -2.225) 2.391 3.767 ( 0.129 0.000 4.974) 4.975 3.778 ( 4.910 0.000 2.688) 5.597 3.821 ( -0.882 0.000 5.448) 5.519 3.839 ( 4.240 0.000 0.218) 4.246 3.909 ( -5.435 0.000 1.363) 5.603 4.028 ( -3.199 0.000 -2.768) 4.230 4.087 ( -0.766 0.000 -5.135) 5.192 4.221 ( 1.618 0.000 1.590) 2.268 4.240 ( -4.149 0.000 2.433) 4.810 4.553 ( 7.797 0.000 -3.131) 8.402 4.585 ( 7.647 0.000 -3.418) 8.376 4.698 ( 0.719 0.000 -6.174) 6.216 4.714 ( 1.763 0.000 -1.780) 2.506 4.820 ( 8.338 0.000 -2.615) 8.738 4.899 ( 11.181 0.000 1.564) 11.290 4.913 ( -0.803 0.000 1.304) 1.531 5.082 ( 9.258 0.000 -1.095) 9.322 5.124 ( 8.062 0.000 0.507) 8.078 5.208 ( -0.160 0.000 -3.113) 3.117 5.477 ( 2.058 0.000 4.562) 5.005 5.495 ( 2.910 0.000 -5.941) 6.616 5.587 ( 5.028 0.000 4.346) 6.646 5.726 ( -4.044 0.000 -0.109) 4.045 5.734 ( 1.232 0.000 8.211) 8.302 5.779 ( -6.002 0.000 -2.275) 6.419 5.868 ( -3.249 0.000 0.993) 3.398 5.879 ( 2.024 0.000 -0.284) 2.044 5.933 ( -1.692 0.000 1.521) 2.275 6.009 ( 4.609 0.000 -2.451) 5.220 6.020 ( -6.208 0.000 3.138) 6.956 6.237 ( -8.026 0.000 -2.818) 8.506 6.291 ( -1.909 0.000 3.226) 3.748 6.377 ( -1.612 0.000 2.029) 2.592 6.512 ( -3.480 0.000 -6.842) 7.676 6.534 ( -1.825 0.000 -6.222) 6.484 6.585 ( -6.299 0.000 1.908) 6.581 6.638 ( 5.293 0.000 -7.434) 9.126 6.729 ( 1.347 0.000 -8.446) 8.553 6.760 ( 3.399 0.000 1.094) 3.570 7.009 ( 2.560 0.000 -2.120) 3.324 7.053 ( 2.998 0.000 3.493) 4.603 7.078 ( 5.288 0.000 -4.612) 7.017 7.175 ( 1.560 0.000 1.331) 2.051 7.178 ( -4.502 0.000 3.029) 5.426 7.238 ( -2.664 0.000 0.525) 2.716 7.445 ( 0.768 0.000 0.195) 0.793 7.502 ( -1.580 0.000 -4.927) 5.174 7.587 ( -2.857 0.000 2.666) 3.908 7.630 ( -7.691 0.000 1.462) 7.829 7.711 ( -1.956 0.000 -0.756) 2.097 7.787 ( 3.375 0.000 0.879) 3.487 7.863 ( -1.236 0.000 0.789) 1.466 7.958 ( -8.452 0.000 5.112) 9.878 7.969 ( -5.470 0.000 0.898) 5.544 7.994 ( -0.493 0.000 -2.415) 2.465 8.233 ( 1.512 0.000 -0.410) 1.567 8.618 ( -0.193 0.000 -5.543) 5.546 8.700 ( -5.342 0.000 4.391) 6.915 8.902 ( 2.641 0.000 6.658) 7.162 8.937 ( -6.698 0.000 0.044) 6.698 8.955 ( 6.415 0.000 -7.578) 9.929 9.189 ( -3.326 0.000 -10.069) 10.604 9.414 ( -2.970 0.000 7.571) 8.133 9.739 ( 7.850 0.000 4.122) 8.867 9.759 ( -2.330 0.000 -0.588) 2.403 9.819 ( 0.597 0.000 -2.112) 2.195 9.838 ( 2.696 0.000 -3.066) 4.083 9.879 ( -0.314 0.000 3.716) 3.729 10.108 ( -2.719 0.000 -1.201) 2.972 10.289 ( -1.184 0.000 0.176) 1.197 11.762 ( -0.320 0.000 -0.144) 0.351 11.832 ( 2.497 0.000 2.994) 3.899 11.945 ( 1.072 0.000 0.135) 1.080 11.955 ( 0.441 0.000 1.337) 1.408 13.972 ( -6.040 0.000 -4.107) 7.304 14.163 ( -0.392 0.000 0.416) 0.572 14.228 ( -0.091 0.000 2.021) 2.023 14.418 ( 1.344 0.000 -0.142) 1.352 14.438 ( -0.420 0.000 -0.718) 0.831 14.544 ( 2.744 0.000 3.853) 4.730 14.621 ( -5.067 0.000 -7.267) 8.859 14.650 ( 0.647 0.000 0.070) 0.651 14.688 ( -1.973 0.000 -9.524) 9.726 14.690 ( -0.247 0.000 0.874) 0.908 14.835 ( -2.018 0.000 0.144) 2.023 14.836 ( 3.381 0.000 1.205) 3.589 15.010 ( -3.185 0.000 2.770) 4.221 15.088 ( 5.863 0.000 4.886) 7.632 15.221 ( -0.060 0.000 1.356) 1.357 15.347 ( 5.454 0.000 0.525) 5.479 15.573 ( 2.372 0.000 0.712) 2.476 15.663 ( 0.589 0.000 7.019) 7.043 15.709 ( -7.982 0.000 -4.063) 8.957 15.759 ( -3.823 0.000 1.089) 3.975 15.926 ( 0.793 0.000 0.685) 1.047 16.358 ( 7.963 0.000 3.009) 8.513 16.754 ( -3.546 0.000 0.891) 3.657 16.777 ( -4.987 0.000 -2.342) 5.510 17.106 ( -0.554 0.000 1.576) 1.671 17.142 ( 1.416 0.000 1.205) 1.860 17.152 ( -0.028 0.000 4.070) 4.070 17.190 ( 0.883 0.000 -2.954) 3.083 17.413 ( -0.027 0.000 -0.114) 0.117 17.435 ( 4.350 0.000 -5.669) 7.145 17.615 ( 2.558 0.000 -2.604) 3.651 17.697 ( 2.862 0.000 3.220) 4.308 17.817 ( 3.489 0.000 9.022) 9.674 17.818 ( -1.427 0.000 5.156) 5.350 18.302 ( -4.935 0.000 -4.657) 6.785 18.441 ( -3.664 0.000 0.077) 3.665 18.507 ( -2.855 0.000 -0.351) 2.877 18.736 ( 0.428 0.000 -0.541) 0.690 19.035 ( 6.160 0.000 0.905) 6.226 19.187 ( 6.997 0.000 4.778) 8.473 19.491 ( -3.363 0.000 -1.518) 3.689 19.535 ( -2.758 0.000 6.786) 7.325 19.809 ( 0.097 0.000 -1.415) 1.418 19.876 ( 2.645 0.000 0.076) 2.646 20.051 ( 0.749 0.000 -0.366) 0.833 20.061 ( -0.508 0.000 7.091) 7.109 20.347 ( 2.140 0.000 -4.750) 5.210 20.412 ( -3.782 0.000 -16.474) 16.903 20.737 ( 4.061 0.000 2.224) 4.630 21.072 ( 6.742 0.000 6.386) 9.286 21.421 ( 2.935 0.000 -1.381) 3.244 21.465 ( 2.611 0.000 1.742) 3.139 21.659 ( -3.527 0.000 -0.312) 3.541 21.788 ( -0.078 0.000 -0.891) 0.895 21.872 ( -3.632 0.000 0.801) 3.720 21.903 ( -1.165 0.000 -1.038) 1.560 22.215 ( -4.864 0.000 1.068) 4.980 22.312 ( -1.170 0.000 -1.272) 1.728 22.572 ( -6.819 0.000 -0.745) 6.860 22.945 ( 1.721 0.000 -4.511) 4.829 ======================= Grid point 92 (47/78) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -15.791 0.000 18.065) 23.993 0.772 ( -12.100 0.000 26.137) 28.802 1.341 ( -3.673 0.000 16.149) 16.562 1.521 ( -11.055 0.000 -0.226) 11.058 1.574 ( -19.347 0.000 26.944) 33.170 1.680 ( 4.907 0.000 0.740) 4.962 1.934 ( 5.206 0.000 0.375) 5.219 2.047 ( -4.808 0.000 2.520) 5.428 2.168 ( 9.205 0.000 0.003) 9.205 2.190 ( -2.894 0.000 3.729) 4.720 2.361 ( 2.636 0.000 2.692) 3.768 2.362 ( -5.611 0.000 7.674) 9.506 2.631 ( -0.605 0.000 8.037) 8.060 2.660 ( -3.993 0.000 8.862) 9.720 2.687 ( 0.304 0.000 -2.882) 2.898 2.751 ( 1.941 0.000 1.258) 2.313 2.825 ( 5.173 0.000 -2.374) 5.692 2.880 ( 3.592 0.000 7.487) 8.304 2.908 ( 2.159 0.000 -6.769) 7.105 2.982 ( -2.282 0.000 -1.331) 2.641 3.054 ( -2.357 0.000 -4.639) 5.204 3.095 ( -1.434 0.000 4.218) 4.455 3.205 ( 5.004 0.000 -1.660) 5.272 3.233 ( 0.343 0.000 -10.799) 10.804 3.259 ( 2.898 0.000 -6.208) 6.851 3.296 ( 5.950 0.000 3.395) 6.850 3.420 ( -3.262 0.000 2.093) 3.875 3.512 ( -3.450 0.000 -1.489) 3.758 3.559 ( 4.558 0.000 1.544) 4.813 3.569 ( -0.609 0.000 -0.235) 0.653 3.610 ( 1.602 0.000 0.686) 1.742 3.634 ( -4.377 0.000 -0.930) 4.474 3.736 ( 0.276 0.000 1.406) 1.433 3.753 ( 1.167 0.000 -1.560) 1.948 3.803 ( -2.359 0.000 -2.468) 3.414 3.837 ( -1.230 0.000 4.162) 4.340 3.862 ( -4.514 0.000 8.290) 9.440 3.894 ( 3.807 0.000 -0.260) 3.816 3.952 ( -0.482 0.000 10.347) 10.358 4.020 ( 1.519 0.000 3.170) 3.515 4.038 ( 4.579 0.000 -3.225) 5.600 4.142 ( -6.257 0.000 -1.445) 6.422 4.259 ( 1.227 0.000 2.045) 2.384 4.506 ( 3.960 0.000 -21.879) 22.235 4.643 ( 0.212 0.000 -1.144) 1.163 4.645 ( 9.699 0.000 -2.482) 10.012 4.754 ( 3.828 0.000 -1.314) 4.048 4.829 ( -1.601 0.000 -4.950) 5.203 4.976 ( 0.293 0.000 4.097) 4.108 5.065 ( -0.720 0.000 -4.077) 4.140 5.128 ( 3.668 0.000 -8.456) 9.218 5.203 ( 9.533 0.000 3.724) 10.235 5.211 ( 3.129 0.000 -6.634) 7.335 5.321 ( -3.521 0.000 -7.957) 8.702 5.575 ( -3.855 0.000 -2.374) 4.528 5.592 ( 4.302 0.000 3.559) 5.583 5.642 ( -3.672 0.000 -2.024) 4.193 5.687 ( 0.173 0.000 -1.426) 1.436 5.819 ( -3.134 0.000 1.562) 3.502 5.858 ( -2.047 0.000 -1.274) 2.411 5.980 ( 6.945 0.000 6.008) 9.183 5.987 ( 2.741 0.000 3.752) 4.647 6.058 ( -0.646 0.000 6.918) 6.948 6.074 ( 4.691 0.000 1.091) 4.816 6.169 ( -0.471 0.000 6.798) 6.814 6.200 ( -7.827 0.000 -7.253) 10.671 6.287 ( -5.339 0.000 -7.380) 9.109 6.398 ( -5.006 0.000 2.519) 5.604 6.446 ( 2.040 0.000 -1.552) 2.564 6.603 ( 2.097 0.000 -7.161) 7.461 6.612 ( 6.493 0.000 0.454) 6.509 6.685 ( 0.821 0.000 -2.102) 2.257 6.773 ( 0.836 0.000 0.047) 0.838 7.026 ( 4.406 0.000 -3.296) 5.502 7.120 ( 2.434 0.000 -0.591) 2.505 7.161 ( 2.433 0.000 5.584) 6.091 7.203 ( 2.008 0.000 4.739) 5.147 7.233 ( 5.371 0.000 1.146) 5.492 7.244 ( -2.018 0.000 4.676) 5.093 7.395 ( -2.454 0.000 -3.448) 4.232 7.433 ( -1.448 0.000 -2.447) 2.844 7.520 ( -7.311 0.000 0.963) 7.375 7.562 ( -6.001 0.000 0.417) 6.016 7.673 ( -2.071 0.000 1.143) 2.366 7.773 ( -1.559 0.000 -5.341) 5.564 7.836 ( -5.126 0.000 -1.386) 5.311 7.868 ( 0.281 0.000 0.321) 0.426 7.941 ( -0.369 0.000 1.848) 1.885 8.033 ( -1.139 0.000 5.768) 5.879 8.241 ( 0.777 0.000 -0.163) 0.794 8.560 ( -0.022 0.000 -2.890) 2.890 8.624 ( -6.867 0.000 0.799) 6.913 8.809 ( -18.249 0.000 -10.726) 21.168 8.926 ( 0.752 0.000 2.768) 2.869 8.944 ( 4.347 0.000 -10.022) 10.924 8.996 ( -0.995 0.000 0.507) 1.117 9.480 ( -3.545 0.000 9.892) 10.508 9.593 ( -7.595 0.000 -6.086) 9.732 9.736 ( -4.935 0.000 -5.951) 7.731 9.815 ( 1.013 0.000 1.240) 1.601 9.885 ( 1.392 0.000 -0.680) 1.549 9.982 ( 9.277 0.000 1.068) 9.338 10.141 ( 0.860 0.000 5.572) 5.637 10.260 ( -1.994 0.000 0.038) 1.994 11.774 ( 0.597 0.000 1.631) 1.737 11.934 ( 2.623 0.000 -0.256) 2.636 11.975 ( 1.213 0.000 1.391) 1.846 12.006 ( 4.483 0.000 2.952) 5.368 13.852 ( -2.861 0.000 -3.318) 4.381 13.876 ( -18.296 0.000 -9.578) 20.651 14.181 ( 0.572 0.000 1.792) 1.881 14.394 ( -1.349 0.000 -2.756) 3.068 14.399 ( -0.617 0.000 -2.222) 2.306 14.526 ( -0.542 0.000 -4.484) 4.517 14.652 ( 3.502 0.000 2.046) 4.056 14.698 ( 1.786 0.000 3.230) 3.691 14.718 ( 2.595 0.000 1.258) 2.884 14.783 ( 4.063 0.000 6.071) 7.306 14.829 ( -1.440 0.000 2.865) 3.207 14.904 ( 3.303 0.000 2.836) 4.354 14.997 ( -3.312 0.000 2.805) 4.340 15.185 ( 2.888 0.000 -0.240) 2.898 15.390 ( 9.728 0.000 1.232) 9.806 15.419 ( 3.800 0.000 -0.753) 3.874 15.509 ( -0.152 0.000 -1.739) 1.745 15.625 ( -0.878 0.000 -0.642) 1.087 15.695 ( -6.188 0.000 2.749) 6.771 15.737 ( -1.335 0.000 2.435) 2.777 16.091 ( 9.242 0.000 9.936) 13.570 16.503 ( 6.658 0.000 1.702) 6.873 16.645 ( -6.677 0.000 -3.413) 7.499 16.711 ( -2.572 0.000 -0.400) 2.603 17.116 ( -0.248 0.000 0.605) 0.654 17.156 ( -0.141 0.000 -1.923) 1.928 17.197 ( 1.998 0.000 1.890) 2.750 17.204 ( -1.365 0.000 4.442) 4.647 17.418 ( 0.532 0.000 -0.119) 0.545 17.431 ( 5.379 0.000 -6.051) 8.096 17.632 ( 3.178 0.000 -1.582) 3.550 17.738 ( 3.811 0.000 -1.439) 4.074 17.845 ( -3.364 0.000 4.253) 5.423 17.999 ( 0.776 0.000 1.735) 1.900 18.134 ( -6.570 0.000 -4.961) 8.233 18.384 ( -2.502 0.000 -1.114) 2.739 18.469 ( -1.439 0.000 -0.169) 1.449 18.686 ( -1.262 0.000 -4.964) 5.121 19.149 ( 3.435 0.000 1.928) 3.939 19.312 ( 1.358 0.000 -0.216) 1.375 19.414 ( -10.714 0.000 -5.227) 11.921 19.428 ( -0.696 0.000 -0.661) 0.960 19.800 ( 0.359 0.000 -0.817) 0.892 19.940 ( 1.435 0.000 0.539) 1.533 20.038 ( 0.340 0.000 -2.650) 2.672 20.137 ( -4.780 0.000 -5.381) 7.197 20.395 ( 5.923 0.000 2.083) 6.279 20.548 ( 34.729 0.000 20.384) 40.269 20.793 ( 0.304 0.000 -0.788) 0.844 21.208 ( 1.945 0.000 2.904) 3.495 21.469 ( 4.137 0.000 0.177) 4.141 21.523 ( 0.154 0.000 2.536) 2.541 21.608 ( -1.741 0.000 0.078) 1.743 21.755 ( -1.322 0.000 -1.532) 2.023 21.832 ( -2.890 0.000 1.227) 3.140 21.896 ( 2.409 0.000 -1.383) 2.778 22.172 ( -3.220 0.000 2.652) 4.172 22.271 ( -0.356 0.000 -2.467) 2.493 22.474 ( -4.568 0.000 -0.477) 4.593 22.693 ( -19.008 0.000 -11.478) 22.205 ======================= Grid point 93 (48/78) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -5.990 8.254 18.396) 21.034 1.223 ( 0.122 12.637 18.082) 22.060 1.379 ( -4.356 -0.207 2.204) 4.887 1.510 ( 10.104 6.996 -2.252) 12.494 1.633 ( 4.240 -2.073 -9.738) 10.821 1.974 ( 2.943 6.105 -3.744) 7.743 2.062 ( -2.730 0.968 14.976) 15.254 2.152 ( -2.342 7.631 21.488) 22.922 2.342 ( 0.190 1.486 10.849) 10.952 2.349 ( 3.646 3.433 -3.286) 5.989 2.402 ( -1.687 2.761 10.194) 10.695 2.464 ( 2.139 2.861 6.102) 7.071 2.512 ( 0.759 -11.181 3.650) 11.787 2.585 ( -0.118 -6.415 9.276) 11.278 2.678 ( 3.467 1.418 -3.823) 5.352 2.804 ( 0.645 -3.924 -3.190) 5.097 2.811 ( -4.856 2.219 -2.984) 6.117 2.902 ( -2.390 1.337 2.727) 3.865 2.974 ( -0.095 4.489 0.345) 4.503 3.023 ( 0.893 0.069 3.436) 3.550 3.123 ( 0.615 1.996 1.566) 2.610 3.140 ( 1.455 -1.561 -0.057) 2.135 3.151 ( -6.084 1.617 2.804) 6.891 3.164 ( -0.069 -2.491 0.651) 2.576 3.290 ( 2.781 -2.623 3.184) 4.975 3.337 ( -0.068 0.183 1.204) 1.220 3.346 ( -0.183 2.436 -2.055) 3.192 3.488 ( -4.420 3.211 -1.754) 5.738 3.506 ( -1.165 1.824 -5.287) 5.713 3.589 ( 2.097 -0.178 1.102) 2.375 3.609 ( -1.905 -0.925 -4.827) 5.271 3.631 ( -0.428 -3.255 -0.753) 3.368 3.670 ( 0.269 -2.119 -1.156) 2.429 3.731 ( -1.492 -2.197 1.735) 3.172 3.783 ( 2.999 -4.963 0.017) 5.799 3.818 ( 2.099 3.704 -1.852) 4.643 3.830 ( 2.523 3.760 -6.149) 7.636 3.904 ( 2.457 -2.752 -0.780) 3.771 4.036 ( -0.705 2.777 1.211) 3.110 4.076 ( 3.071 1.107 0.728) 3.345 4.157 ( 0.938 -2.409 1.261) 2.876 4.186 ( -1.904 2.620 2.110) 3.866 4.293 ( 2.481 4.196 -12.943) 13.831 4.354 ( 1.944 1.847 -0.015) 2.682 4.511 ( 0.124 -7.933 3.406) 8.635 4.734 ( -1.936 -1.350 -3.927) 4.582 4.803 ( 0.227 1.895 -4.619) 4.998 4.828 ( 1.759 2.511 -3.743) 4.838 4.912 ( -1.421 -3.560 -2.533) 4.595 4.942 ( -6.103 -1.233 -5.022) 8.000 4.996 ( 2.683 -1.623 -6.366) 7.096 5.035 ( -1.678 1.552 -9.979) 10.237 5.211 ( 0.901 0.189 7.501) 7.557 5.320 ( -1.664 -5.139 -1.014) 5.496 5.521 ( 0.876 -1.723 -3.755) 4.223 5.595 ( 0.012 1.856 4.070) 4.473 5.661 ( 1.823 1.462 0.992) 2.538 5.681 ( -1.944 -2.364 -6.165) 6.883 5.797 ( 0.513 -7.482 0.956) 7.561 5.941 ( -3.778 3.383 -1.627) 5.326 5.965 ( -0.627 -0.910 0.986) 1.481 6.028 ( 0.184 -1.707 -1.210) 2.100 6.059 ( -0.589 1.413 3.270) 3.611 6.116 ( -0.866 1.111 -0.104) 1.413 6.124 ( 0.145 -0.104 6.479) 6.482 6.170 ( 0.022 2.314 -1.108) 2.565 6.280 ( -3.819 -5.465 1.656) 6.870 6.323 ( -0.963 5.069 -1.672) 5.424 6.436 ( -0.591 -4.539 -5.083) 6.840 6.589 ( -0.579 6.347 -3.340) 7.195 6.661 ( 8.591 -2.910 2.047) 9.298 6.845 ( 1.460 7.245 6.423) 9.792 6.920 ( 2.294 4.779 3.666) 6.445 6.991 ( 0.868 0.105 -5.113) 5.187 7.083 ( -5.269 -8.584 3.602) 10.697 7.163 ( 5.273 -8.587 1.566) 10.197 7.244 ( -0.990 -1.718 1.533) 2.506 7.252 ( -3.295 -4.492 -1.965) 5.907 7.327 ( 1.162 2.843 -0.638) 3.137 7.350 ( -0.417 -0.076 -0.287) 0.512 7.421 ( 2.519 0.023 -0.548) 2.578 7.454 ( -0.024 2.965 2.023) 3.590 7.497 ( -0.999 1.965 0.138) 2.209 7.655 ( -1.132 1.853 -2.123) 3.037 7.697 ( 2.474 2.098 -5.035) 5.990 7.826 ( 0.538 4.526 -4.286) 6.257 7.888 ( 0.311 -3.999 5.993) 7.211 7.977 ( 0.983 0.793 0.812) 1.501 8.174 ( 0.217 7.409 2.590) 7.852 8.273 ( -0.151 2.311 -0.482) 2.366 8.440 ( -0.106 0.464 2.926) 2.965 8.576 ( -4.253 -0.489 3.935) 5.815 8.648 ( -0.444 5.498 -8.307) 9.972 8.825 ( 2.263 -2.643 -7.889) 8.622 8.996 ( -0.652 1.683 0.850) 1.995 9.057 ( 1.815 2.926 -1.476) 3.747 9.402 ( -3.797 -2.728 -0.135) 4.677 9.516 ( -2.895 -3.191 1.534) 4.573 9.666 ( -2.521 6.242 0.095) 6.732 9.855 ( -1.581 1.985 0.360) 2.563 9.938 ( 2.655 2.159 -0.257) 3.432 10.024 ( 3.741 -1.160 -6.052) 7.209 10.169 ( -1.473 -4.578 5.321) 7.172 10.249 ( 1.094 -1.638 1.040) 2.228 11.829 ( 0.762 1.205 2.560) 2.930 11.915 ( -0.358 -0.672 -1.427) 1.617 11.994 ( 0.216 -1.596 1.945) 2.526 12.036 ( 0.081 -2.464 0.234) 2.477 13.678 ( -3.917 1.342 2.998) 5.112 13.793 ( 1.082 -0.687 -2.595) 2.894 14.209 ( 0.510 -0.794 2.122) 2.322 14.322 ( 0.044 -3.192 -3.044) 4.411 14.382 ( 0.752 1.328 -0.824) 1.734 14.442 ( -1.787 -0.143 -3.713) 4.123 14.723 ( 0.575 1.277 1.605) 2.130 14.739 ( 0.159 -0.488 1.544) 1.627 14.794 ( 4.001 1.199 3.382) 5.375 14.854 ( -1.290 -0.382 4.936) 5.116 14.894 ( -2.183 -1.235 -1.205) 2.783 14.958 ( 2.626 -0.863 2.032) 3.431 14.997 ( 1.240 2.319 2.432) 3.582 15.167 ( -0.260 -2.351 -5.396) 5.892 15.328 ( -1.236 0.621 1.233) 1.852 15.442 ( 0.046 -0.468 -2.539) 2.582 15.595 ( -2.665 -1.317 2.303) 3.760 15.633 ( 1.582 0.370 -0.050) 1.625 15.680 ( 1.036 -1.756 -0.450) 2.088 15.724 ( 3.534 -0.661 -0.698) 3.662 16.332 ( 4.787 0.922 7.811) 9.208 16.508 ( -6.303 1.165 -1.823) 6.664 16.587 ( 4.102 -1.439 1.062) 4.475 16.669 ( -1.917 0.169 -1.782) 2.623 17.110 ( -0.476 -0.991 -0.679) 1.292 17.133 ( -0.574 0.743 -2.783) 2.937 17.222 ( -4.125 0.078 3.615) 5.486 17.267 ( 0.272 1.606 3.864) 4.193 17.379 ( 1.607 -2.463 -3.695) 4.723 17.417 ( 0.632 -2.276 -1.443) 2.768 17.540 ( 1.146 0.817 7.157) 7.294 17.731 ( -2.361 -2.430 0.419) 3.414 17.892 ( 3.996 -0.546 1.281) 4.232 17.987 ( -3.821 0.753 -2.763) 4.775 18.152 ( -2.595 8.599 -5.948) 10.773 18.348 ( -1.177 0.698 -4.735) 4.929 18.523 ( 1.601 5.073 -0.203) 5.324 18.611 ( -1.241 2.713 -6.007) 6.707 19.167 ( -1.638 0.016 -0.050) 1.639 19.179 ( -4.633 -0.085 -0.852) 4.711 19.414 ( 0.264 1.532 2.780) 3.185 19.463 ( 1.897 0.389 0.433) 1.985 19.851 ( 2.562 2.646 2.508) 4.456 19.957 ( -0.093 0.596 0.471) 0.765 19.997 ( -3.399 -0.183 -3.624) 4.972 20.006 ( -1.546 -0.069 -2.064) 2.580 20.547 ( 6.750 0.722 4.768) 8.296 20.708 ( -6.382 1.290 -4.314) 7.810 21.041 ( 17.416 -12.598 4.290) 21.919 21.110 ( -9.272 -5.881 -1.146) 11.039 21.539 ( 0.947 0.853 0.512) 1.374 21.546 ( -0.323 1.310 -0.354) 1.395 21.659 ( 2.930 1.943 0.910) 3.631 21.697 ( 0.639 -1.315 -0.587) 1.576 21.870 ( -1.435 3.560 0.062) 3.839 21.914 ( 1.689 0.437 -2.220) 2.823 22.134 ( -3.177 -2.232 2.897) 4.844 22.224 ( -1.616 -3.058 -1.607) 3.814 22.381 ( -0.999 1.457 1.389) 2.247 22.434 ( 0.671 0.023 -1.112) 1.299 ======================= Grid point 94 (49/78) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 7.580 3.777 12.721) 15.282 1.330 ( -4.435 1.603 -1.818) 5.054 1.436 ( 4.420 4.201 4.853) 7.794 1.598 ( 15.308 2.848 -7.666) 17.355 1.783 ( 11.527 9.943 6.141) 16.415 1.850 ( 4.402 6.961 -15.961) 17.961 2.168 ( -2.536 2.520 4.463) 5.718 2.262 ( -2.085 -0.519 -4.452) 4.943 2.348 ( -2.126 1.885 7.807) 8.308 2.400 ( -4.173 -0.120 -6.110) 7.400 2.435 ( -1.860 -2.441 11.542) 11.943 2.488 ( -3.439 -2.272 -0.770) 4.193 2.563 ( -1.423 -5.014 -2.852) 5.941 2.670 ( -1.767 -6.694 9.224) 11.533 2.729 ( 2.062 -0.622 -0.226) 2.166 2.781 ( -1.465 -4.108 2.259) 4.911 2.831 ( -1.235 4.616 2.185) 5.254 2.944 ( -3.511 -4.405 0.858) 5.698 2.986 ( -2.095 7.483 2.327) 8.112 3.044 ( -2.200 0.265 -2.267) 3.170 3.061 ( 0.078 6.549 9.344) 11.410 3.132 ( -2.513 1.451 3.682) 4.688 3.137 ( -3.862 -1.937 6.413) 7.733 3.277 ( 0.629 3.307 4.167) 5.356 3.314 ( 0.638 -2.267 -0.901) 2.521 3.330 ( -1.017 2.812 -1.892) 3.539 3.363 ( 2.179 -1.259 -5.351) 5.913 3.418 ( -2.258 1.094 -6.479) 6.948 3.485 ( -2.226 4.709 3.971) 6.549 3.513 ( 5.322 2.133 2.199) 6.141 3.550 ( 7.237 3.585 -12.953) 15.264 3.610 ( 4.140 -1.975 -2.612) 5.278 3.654 ( 1.221 -1.201 2.297) 2.865 3.741 ( -1.082 0.864 2.779) 3.105 3.761 ( 3.701 3.197 -6.148) 7.856 3.817 ( 1.155 -2.380 -0.692) 2.735 3.889 ( 0.784 0.489 -5.891) 5.963 3.913 ( 5.078 2.740 -1.086) 5.872 4.063 ( 0.351 0.439 3.679) 3.721 4.077 ( -3.408 -1.562 -2.205) 4.349 4.164 ( 3.117 -1.697 -3.288) 4.838 4.193 ( 3.923 -4.086 2.634) 6.247 4.267 ( -0.387 3.934 1.871) 4.374 4.351 ( -0.387 0.910 -5.972) 6.054 4.611 ( 0.166 -1.322 9.504) 9.597 4.677 ( -0.665 -6.578 -6.998) 9.628 4.710 ( -4.126 -6.142 2.930) 7.958 4.776 ( -3.326 -1.873 -3.201) 4.981 4.788 ( -1.110 0.466 -3.318) 3.530 4.849 ( -1.917 -0.709 0.903) 2.235 4.980 ( 0.598 1.068 -1.704) 2.098 4.987 ( 2.799 0.443 -1.104) 3.042 5.277 ( -3.520 -1.396 1.751) 4.172 5.330 ( -0.904 -1.174 2.467) 2.878 5.443 ( -5.761 -3.012 -3.511) 7.389 5.573 ( 1.105 -1.579 -0.829) 2.098 5.614 ( -1.114 -0.073 2.792) 3.007 5.689 ( -0.245 1.900 -0.293) 1.938 5.796 ( -6.604 -5.722 -3.202) 9.306 5.854 ( -2.089 -1.156 2.873) 3.735 5.964 ( -2.547 1.031 0.446) 2.783 5.978 ( -1.910 -0.903 -1.016) 2.344 6.069 ( -3.634 -0.416 0.324) 3.672 6.097 ( -1.574 0.629 1.388) 2.191 6.138 ( -1.322 -1.314 5.330) 5.647 6.171 ( -1.772 4.318 -0.804) 4.736 6.266 ( -1.735 -0.868 3.241) 3.777 6.331 ( -2.278 1.027 1.995) 3.198 6.430 ( 4.086 0.213 -2.784) 4.948 6.485 ( 0.924 1.704 -5.305) 5.648 6.757 ( -3.631 -2.790 -1.635) 4.862 6.891 ( -1.256 1.918 -1.624) 2.809 6.957 ( 0.916 6.107 0.199) 6.179 6.971 ( 1.383 2.871 -1.434) 3.494 7.029 ( -3.533 -9.058 2.972) 10.167 7.164 ( -1.502 -3.396 0.145) 3.716 7.229 ( -0.740 -2.705 -1.837) 3.352 7.236 ( -2.231 -1.490 0.065) 2.684 7.289 ( -3.996 2.636 0.569) 4.820 7.381 ( 4.265 -3.363 -2.060) 5.809 7.426 ( 5.034 -2.156 -0.008) 5.476 7.484 ( 0.832 2.133 1.138) 2.557 7.544 ( 0.481 5.532 -3.210) 6.414 7.637 ( 0.676 0.789 3.859) 3.996 7.716 ( 3.512 2.007 1.765) 4.414 7.813 ( 6.364 4.181 -5.388) 9.328 7.956 ( 2.255 -3.990 1.313) 4.768 8.042 ( 5.487 2.146 -1.051) 5.984 8.188 ( -2.412 6.306 1.827) 6.994 8.244 ( -1.508 3.155 -0.061) 3.498 8.477 ( -0.029 -0.971 0.549) 1.116 8.564 ( -1.553 -2.524 3.546) 4.621 8.710 ( 12.355 3.362 -0.750) 12.826 8.794 ( 6.878 -0.588 -5.483) 8.816 9.008 ( -0.462 1.066 0.892) 1.465 9.057 ( 1.728 0.684 -1.622) 2.467 9.447 ( 1.520 -1.181 1.560) 2.477 9.475 ( 3.683 -0.993 2.278) 4.443 9.708 ( -2.303 3.279 8.421) 9.325 9.818 ( -1.291 1.015 -2.100) 2.666 9.942 ( 0.000 -1.214 -4.199) 4.371 9.989 ( 2.094 4.162 -2.937) 5.507 10.208 ( -1.054 -5.047 2.756) 5.846 10.268 ( 0.947 -1.994 -1.117) 2.474 11.866 ( -0.627 0.474 1.453) 1.652 11.875 ( -1.124 0.609 -1.560) 2.017 12.006 ( -1.893 -1.726 0.793) 2.681 12.012 ( -1.922 -1.507 -0.258) 2.456 13.712 ( 1.352 1.694 3.710) 4.296 13.812 ( 5.638 -0.795 -1.833) 5.981 14.252 ( 0.384 -2.024 1.169) 2.369 14.291 ( 1.411 -3.422 -1.986) 4.200 14.368 ( -1.589 1.501 -0.917) 2.370 14.409 ( 1.549 1.212 0.520) 2.035 14.732 ( -1.093 1.580 -0.014) 1.921 14.748 ( -0.133 1.345 0.721) 1.532 14.824 ( -2.625 -1.806 -3.387) 4.650 14.876 ( 0.210 -1.769 2.421) 3.006 14.888 ( -1.546 1.371 1.979) 2.861 14.998 ( 1.447 -2.488 0.108) 2.880 15.050 ( 0.573 1.576 -1.612) 2.326 15.082 ( 1.150 1.111 -1.601) 2.263 15.322 ( -4.070 -0.940 2.210) 4.726 15.390 ( -2.330 -0.905 -1.481) 2.906 15.520 ( -6.129 0.879 0.889) 6.256 15.642 ( -0.871 -1.721 -1.265) 2.307 15.705 ( 5.537 0.191 0.677) 5.582 15.840 ( 8.840 -3.253 -2.250) 9.685 16.364 ( -6.992 4.552 -2.756) 8.787 16.483 ( 2.342 1.481 6.055) 6.658 16.593 ( -2.535 -0.217 -2.970) 3.911 16.668 ( 3.094 -1.473 0.715) 3.500 17.093 ( -1.677 -0.486 0.230) 1.761 17.113 ( 0.751 -1.825 0.377) 2.009 17.205 ( -3.884 1.293 3.346) 5.287 17.321 ( 0.174 0.891 2.825) 2.968 17.347 ( -0.366 -1.635 -1.960) 2.578 17.406 ( 2.372 0.262 -3.618) 4.334 17.584 ( -5.465 2.780 1.148) 6.238 17.720 ( -0.754 2.273 3.915) 4.590 17.855 ( -1.486 0.746 -3.208) 3.613 17.988 ( 5.175 1.257 -0.373) 5.338 18.174 ( -1.466 -2.412 7.572) 8.081 18.252 ( -0.236 -1.688 -6.120) 6.353 18.544 ( 0.385 4.046 -2.312) 4.676 18.569 ( 3.469 3.413 0.804) 4.933 19.154 ( -0.829 -0.119 1.578) 1.787 19.186 ( 1.827 -0.770 2.868) 3.487 19.425 ( -1.882 1.159 0.872) 2.376 19.460 ( -0.463 0.474 -1.611) 1.742 19.875 ( -3.649 2.543 -3.363) 5.576 19.947 ( 1.300 -0.050 2.907) 3.184 19.972 ( 0.252 0.370 1.119) 1.205 19.985 ( 1.633 0.741 0.060) 1.795 20.523 ( -9.195 0.560 -4.424) 10.220 20.692 ( 3.157 0.506 4.234) 5.306 20.843 ( -17.916 -4.069 -5.126) 19.074 21.182 ( -0.200 -9.636 0.848) 9.675 21.510 ( -2.852 2.404 -0.254) 3.738 21.581 ( 1.684 -0.460 0.406) 1.792 21.673 ( -1.209 0.020 -2.571) 2.841 21.689 ( 0.559 0.053 0.349) 0.661 21.854 ( -0.303 1.820 0.558) 1.927 21.918 ( 1.933 2.538 -0.732) 3.274 22.150 ( 2.158 -1.484 1.844) 3.204 22.248 ( 3.589 -1.649 -0.412) 3.971 22.447 ( 6.833 -0.435 -0.060) 6.848 22.514 ( 9.116 -0.901 0.387) 9.169 ======================= Grid point 95 (50/78) ======================= q-point: ( 0.25 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 5.983 5.910 -4.904) 9.735 1.430 ( 7.067 0.969 2.309) 7.497 1.535 ( 9.094 6.682 -1.270) 11.356 1.705 ( 8.680 9.604 -13.570) 18.754 1.804 ( 13.300 0.136 -2.303) 13.499 2.007 ( 3.229 5.476 -1.212) 6.472 2.076 ( -5.331 8.197 -1.089) 9.838 2.143 ( -2.714 -3.328 -4.394) 6.144 2.265 ( -0.199 1.858 -2.428) 3.064 2.426 ( 0.909 -0.071 -2.737) 2.885 2.470 ( -3.873 -1.484 6.955) 8.098 2.508 ( -3.483 -0.679 3.835) 5.225 2.532 ( -0.410 -1.596 1.284) 2.090 2.681 ( -1.884 -5.770 -1.068) 6.163 2.731 ( 0.246 -3.371 -4.704) 5.792 2.750 ( -0.410 -0.592 -1.584) 1.740 2.786 ( -5.750 3.526 -0.267) 6.750 2.884 ( -1.834 -0.538 3.120) 3.659 2.963 ( 2.126 4.442 -7.796) 9.221 2.980 ( -3.111 -1.688 -0.271) 3.550 3.057 ( -2.744 -3.514 -1.127) 4.599 3.081 ( -5.268 2.004 -3.474) 6.620 3.117 ( -1.588 -1.871 -1.818) 3.055 3.201 ( 1.104 0.497 -10.568) 10.637 3.254 ( -0.887 4.460 0.015) 4.548 3.326 ( 3.489 2.898 -0.056) 4.536 3.374 ( -2.730 -2.485 2.960) 4.732 3.466 ( 4.635 3.221 -1.475) 5.834 3.493 ( -4.156 3.073 5.184) 7.320 3.593 ( -1.560 0.448 2.086) 2.643 3.629 ( -0.275 -2.951 0.790) 3.068 3.719 ( 6.113 -1.174 1.382) 6.376 3.723 ( 2.159 3.561 5.046) 6.542 3.760 ( -2.999 -2.168 -0.492) 3.733 3.779 ( 1.433 3.501 -4.203) 5.655 3.789 ( 3.070 2.868 1.397) 4.427 3.833 ( 6.986 -1.475 0.575) 7.163 3.930 ( 4.485 0.885 -4.060) 6.114 4.089 ( -0.062 -1.826 -1.549) 2.396 4.115 ( 4.249 -0.196 -0.315) 4.265 4.168 ( -2.475 2.571 -2.100) 4.141 4.206 ( 4.401 -3.575 -0.264) 5.676 4.248 ( -1.403 3.503 -1.715) 4.145 4.308 ( 1.321 0.639 0.210) 1.482 4.557 ( -5.077 -0.892 -0.078) 5.155 4.601 ( -2.752 -2.654 -5.100) 6.374 4.672 ( -3.745 -4.045 -0.662) 5.552 4.768 ( -1.699 0.653 3.838) 4.248 4.881 ( 3.370 0.910 6.004) 6.944 4.930 ( -1.133 -0.531 0.039) 1.252 4.975 ( 3.477 -3.402 2.228) 5.350 5.016 ( 0.331 -6.936 9.732) 11.956 5.163 ( -6.316 0.008 -7.974) 10.172 5.251 ( -3.092 -0.791 1.746) 3.638 5.404 ( -5.385 -4.849 0.123) 7.248 5.551 ( -3.755 0.728 1.627) 4.156 5.624 ( -4.736 -8.776 -0.465) 9.983 5.630 ( -0.805 2.139 2.043) 3.065 5.763 ( -0.095 -1.727 2.588) 3.113 5.828 ( -1.041 -1.611 0.755) 2.062 5.881 ( -5.852 -0.597 2.128) 6.256 5.977 ( -4.246 2.936 -0.238) 5.167 6.013 ( -5.078 2.634 4.591) 7.335 6.118 ( -1.161 3.421 2.603) 4.453 6.175 ( 0.805 3.415 2.724) 4.442 6.207 ( 2.562 -1.405 4.469) 5.340 6.280 ( -5.984 2.872 5.899) 8.880 6.327 ( -0.687 -3.122 5.162) 6.072 6.410 ( 6.437 1.646 -5.967) 8.931 6.486 ( 1.368 -5.163 -5.023) 7.332 6.648 ( -1.445 -0.604 -2.362) 2.834 6.806 ( -5.888 2.162 -0.550) 6.296 6.914 ( 0.616 4.679 -8.654) 9.858 6.942 ( -1.718 4.272 -1.775) 4.935 7.025 ( 0.607 -2.964 -1.896) 3.571 7.091 ( -4.806 0.385 -2.254) 5.323 7.226 ( -0.600 -3.308 2.463) 4.167 7.247 ( 1.134 -1.600 2.537) 3.206 7.291 ( -0.438 1.661 2.969) 3.430 7.410 ( 0.939 2.873 -0.169) 3.027 7.438 ( 1.308 -0.611 -3.776) 4.042 7.508 ( 1.369 -5.340 1.669) 5.760 7.574 ( 3.925 -3.513 1.369) 5.443 7.691 ( 0.231 -1.129 2.157) 2.446 7.799 ( 2.662 3.089 2.253) 4.658 7.873 ( 6.905 5.886 -2.618) 9.444 8.018 ( 6.981 -4.523 -2.521) 8.692 8.074 ( 1.329 8.701 -1.539) 8.936 8.158 ( -3.215 3.461 0.396) 4.740 8.245 ( 1.270 2.601 0.310) 2.911 8.486 ( 1.708 -6.851 -1.258) 7.172 8.586 ( -3.532 -4.607 5.636) 8.091 8.856 ( 10.573 1.240 -4.096) 11.406 8.929 ( 7.221 0.219 1.768) 7.438 9.005 ( 2.048 2.746 0.280) 3.437 9.090 ( 3.620 2.147 -0.236) 4.216 9.468 ( 1.271 -1.229 2.878) 3.378 9.668 ( 7.169 -2.312 4.331) 8.689 9.768 ( -1.495 4.834 0.862) 5.133 9.776 ( -1.032 2.036 1.837) 2.930 9.877 ( -0.331 0.177 -2.192) 2.223 9.980 ( 1.018 3.328 -3.054) 4.630 10.200 ( -1.731 -3.547 -1.298) 4.155 10.257 ( 0.730 -2.876 -1.196) 3.200 11.819 ( -1.170 1.041 -2.093) 2.614 11.872 ( -1.890 -0.054 0.709) 2.020 11.960 ( -2.809 -0.892 -0.392) 2.973 11.987 ( -1.703 -1.171 -0.261) 2.083 13.798 ( 2.553 1.373 4.122) 5.039 13.926 ( 9.303 -2.571 1.578) 9.780 14.217 ( -0.979 -1.518 -2.335) 2.952 14.307 ( -1.350 -5.083 1.002) 5.354 14.388 ( 2.689 2.207 2.152) 4.091 14.459 ( 2.629 2.646 2.204) 4.333 14.701 ( -1.679 1.321 -1.919) 2.872 14.718 ( -2.138 -0.957 -2.961) 3.776 14.758 ( 0.084 1.372 -1.761) 2.234 14.847 ( -4.178 -0.758 0.231) 4.253 14.885 ( 0.216 -0.661 -1.790) 1.920 14.959 ( -1.011 2.013 -4.535) 5.064 15.051 ( -0.565 -2.780 -2.481) 3.769 15.085 ( -0.013 -0.457 2.165) 2.213 15.292 ( -2.690 -1.985 0.907) 3.464 15.321 ( -5.211 -1.146 0.385) 5.349 15.496 ( 0.713 2.226 2.195) 3.206 15.643 ( 1.731 -1.289 0.233) 2.171 15.788 ( 4.365 0.235 -0.587) 4.410 15.902 ( 5.378 -2.449 -4.842) 7.640 16.208 ( -5.967 6.823 -4.964) 10.334 16.488 ( -3.660 0.110 -5.049) 6.238 16.601 ( 1.290 1.017 7.140) 7.327 16.725 ( 2.306 -0.904 1.702) 3.006 17.085 ( -1.819 0.306 2.521) 3.123 17.137 ( 0.546 -1.224 0.781) 1.551 17.198 ( -2.100 0.940 2.887) 3.691 17.289 ( -1.305 0.535 -2.818) 3.152 17.370 ( -0.882 -0.744 2.786) 3.016 17.390 ( 2.893 2.360 -4.593) 5.919 17.488 ( -3.562 1.687 -2.300) 4.563 17.731 ( -4.709 6.312 3.883) 8.781 17.843 ( 2.309 -6.788 -2.377) 7.554 18.074 ( 2.834 2.662 3.477) 5.216 18.131 ( -1.218 -4.491 -3.815) 6.017 18.312 ( -0.128 -1.765 8.310) 8.497 18.547 ( 2.233 4.756 -0.659) 5.295 18.652 ( 4.763 2.410 1.695) 5.601 19.121 ( -6.403 1.354 -0.437) 6.559 19.255 ( -1.474 -1.100 2.341) 2.977 19.433 ( 3.108 0.349 1.215) 3.355 19.468 ( 5.364 -0.314 1.163) 5.498 19.802 ( -2.406 2.089 -1.155) 3.390 19.926 ( -3.436 -0.857 -1.620) 3.894 19.983 ( 1.201 0.178 1.616) 2.021 20.079 ( 3.096 -0.478 3.312) 4.559 20.327 ( -8.837 -0.467 -3.119) 9.383 20.455 ( -16.021 -2.792 -7.605) 17.953 20.777 ( 0.253 2.524 1.932) 3.189 21.141 ( -4.078 -6.647 -0.464) 7.812 21.449 ( -3.720 3.068 -0.777) 4.884 21.555 ( -3.407 -0.152 -1.861) 3.885 21.655 ( 1.905 0.326 -0.229) 1.946 21.710 ( 1.078 -1.821 0.992) 2.337 21.873 ( 1.581 1.502 0.351) 2.209 21.945 ( 2.038 2.537 -0.316) 3.269 22.223 ( 4.627 -0.962 0.333) 4.738 22.297 ( 2.855 1.283 0.176) 3.135 22.555 ( 7.182 -1.448 -0.760) 7.365 22.682 ( 8.099 -3.851 2.877) 9.418 ======================= Grid point 96 (51/78) ======================= q-point: ( 0.38 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 12.829 6.964 1.880) 14.718 1.536 ( 9.469 7.287 -13.924) 18.347 1.557 ( 8.990 5.017 -1.986) 10.485 1.728 ( 3.034 10.958 -5.481) 12.623 1.885 ( -3.784 3.723 -0.611) 5.344 1.918 ( 3.100 3.368 -0.455) 4.600 1.976 ( 3.587 -1.210 -4.455) 5.846 2.228 ( 4.099 -1.827 0.170) 4.491 2.269 ( -3.279 0.029 -3.992) 5.166 2.323 ( 0.434 -1.516 -2.794) 3.209 2.431 ( -2.638 4.021 -10.273) 11.343 2.465 ( -3.086 -0.796 1.556) 3.546 2.512 ( -1.515 -3.430 0.609) 3.799 2.607 ( -2.445 2.493 -4.204) 5.465 2.677 ( -2.443 -0.000 1.293) 2.764 2.707 ( -0.083 -3.739 -2.601) 4.556 2.775 ( -5.544 2.309 3.449) 6.925 2.798 ( 0.686 4.579 -8.091) 9.322 2.890 ( 0.827 -0.555 -3.526) 3.664 2.958 ( -1.538 -4.228 3.433) 5.659 3.026 ( 1.881 -1.427 -1.499) 2.797 3.055 ( -3.226 -5.792 -0.937) 6.696 3.149 ( 3.057 0.280 -0.864) 3.190 3.165 ( 1.915 -2.704 -2.862) 4.378 3.177 ( -1.636 3.439 2.816) 4.736 3.353 ( 0.609 1.689 1.300) 2.217 3.400 ( 4.175 1.984 2.355) 5.188 3.452 ( -3.257 -2.923 0.485) 4.403 3.510 ( 1.083 -2.792 -1.042) 3.171 3.545 ( -6.930 0.270 1.588) 7.115 3.595 ( -1.036 -0.902 -3.913) 4.147 3.658 ( 0.254 0.830 -2.279) 2.438 3.726 ( -0.423 4.500 -1.390) 4.729 3.736 ( -0.126 3.903 -2.651) 4.720 3.795 ( 0.100 -5.489 -6.390) 8.425 3.887 ( 2.763 6.663 0.275) 7.219 3.963 ( 6.026 -3.417 -0.624) 6.955 3.975 ( -1.059 2.862 -5.343) 6.153 4.009 ( 3.613 -4.057 -1.937) 5.768 4.103 ( 1.274 2.594 -0.147) 2.893 4.165 ( 3.203 2.598 -3.897) 5.674 4.211 ( -1.986 1.583 2.883) 3.842 4.277 ( 1.799 -0.906 -2.172) 2.962 4.408 ( 0.386 4.406 8.276) 9.384 4.484 ( -3.357 -1.885 -3.317) 5.081 4.526 ( -2.576 8.763 0.199) 9.136 4.575 ( -3.919 -6.502 -0.328) 7.599 4.735 ( -2.735 -3.826 2.956) 5.555 4.869 ( 0.081 3.630 -3.682) 5.171 4.935 ( -2.189 -4.718 -2.682) 5.852 4.952 ( -3.022 -5.230 -1.956) 6.349 5.047 ( -2.229 4.191 -1.971) 5.140 5.209 ( -2.202 -3.292 -2.843) 4.875 5.248 ( 1.334 -1.955 10.220) 10.490 5.329 ( -1.968 -10.320 4.726) 11.520 5.493 ( -8.282 -9.459 -1.174) 12.627 5.576 ( -0.344 -4.223 4.627) 6.274 5.734 ( 3.713 -1.787 5.245) 6.670 5.763 ( -0.895 -0.812 3.319) 3.532 5.828 ( -0.523 2.264 1.689) 2.872 5.915 ( -1.897 0.940 0.985) 2.335 5.919 ( -2.287 4.891 6.120) 8.161 5.972 ( -3.864 6.970 3.128) 8.561 6.157 ( -3.251 0.603 8.423) 9.049 6.203 ( -1.348 3.229 2.344) 4.212 6.278 ( -5.562 1.962 8.881) 10.661 6.342 ( 5.797 -2.812 0.811) 6.494 6.357 ( -1.703 1.041 3.661) 4.170 6.432 ( 4.284 -4.457 -4.462) 7.624 6.535 ( 6.485 -0.418 2.944) 7.134 6.635 ( 0.570 -1.957 1.491) 2.525 6.745 ( -0.625 4.358 -1.659) 4.705 6.795 ( -0.067 -0.197 -5.479) 5.483 6.916 ( 0.379 4.007 -1.550) 4.313 6.975 ( -2.813 -3.449 -4.505) 6.333 7.018 ( 0.701 -0.659 -1.067) 1.437 7.250 ( -1.081 -1.355 2.403) 2.963 7.295 ( 0.812 -1.152 1.107) 1.793 7.328 ( -0.370 1.176 3.109) 3.345 7.386 ( -0.477 -0.762 -4.538) 4.626 7.422 ( 1.776 4.774 1.238) 5.242 7.583 ( 2.173 -3.269 3.652) 5.361 7.654 ( 3.481 -4.069 1.898) 5.681 7.717 ( 0.512 -1.206 1.196) 1.774 7.841 ( -0.213 2.704 0.223) 2.721 7.915 ( 2.674 5.884 -2.550) 6.948 8.065 ( 4.545 0.087 -2.834) 5.357 8.090 ( -2.716 6.360 0.544) 6.937 8.114 ( 1.343 -0.927 -0.515) 1.711 8.263 ( 0.950 2.909 -1.351) 3.345 8.498 ( 0.873 -6.359 0.606) 6.448 8.617 ( -2.701 -5.895 6.308) 9.046 8.884 ( 0.405 3.272 -2.197) 3.962 9.002 ( 4.128 -0.567 -5.313) 6.752 9.071 ( 4.539 -1.823 0.996) 4.992 9.181 ( 7.257 2.011 0.953) 7.590 9.532 ( -1.439 -2.169 5.218) 5.831 9.680 ( 0.320 -1.202 -6.794) 6.907 9.700 ( -6.742 4.680 -4.649) 9.433 9.775 ( -2.249 6.658 4.120) 8.146 9.926 ( 1.547 -0.405 -4.025) 4.331 9.990 ( 6.735 0.829 3.153) 7.483 10.131 ( -2.195 -1.484 -2.851) 3.892 10.273 ( 0.984 -2.549 0.728) 2.827 11.791 ( 0.306 1.224 -0.969) 1.591 11.839 ( -1.726 0.272 -0.792) 1.918 11.920 ( -1.843 -0.431 0.120) 1.897 11.962 ( -0.800 -0.977 -0.608) 1.402 13.888 ( 0.514 1.562 5.314) 5.562 14.111 ( 7.766 -5.292 3.840) 10.152 14.201 ( 1.304 -0.877 0.156) 1.579 14.278 ( -3.631 -4.728 1.263) 6.094 14.455 ( 1.252 1.418 1.432) 2.372 14.518 ( -0.445 3.902 1.019) 4.058 14.643 ( 1.095 -2.671 -1.552) 3.277 14.681 ( 0.772 1.452 -2.094) 2.662 14.743 ( -1.145 0.515 -1.235) 1.761 14.772 ( -1.641 1.362 -1.484) 2.598 14.852 ( 0.068 2.538 -3.388) 4.234 14.893 ( 1.527 0.026 -2.679) 3.083 15.021 ( -0.604 -4.152 -0.781) 4.267 15.094 ( 0.186 -2.257 -1.301) 2.611 15.239 ( -2.267 0.287 -0.370) 2.315 15.283 ( -2.692 -0.147 0.725) 2.792 15.534 ( -1.066 0.599 1.453) 1.899 15.692 ( 2.092 -2.775 2.108) 4.065 15.795 ( 0.529 0.622 -4.610) 4.682 15.903 ( 4.597 -1.695 -5.417) 7.304 16.083 ( -0.711 8.477 -4.058) 9.425 16.348 ( -4.831 0.463 -5.819) 7.577 16.713 ( 0.524 0.680 7.019) 7.071 16.783 ( 1.504 -0.495 2.336) 2.823 17.094 ( -2.154 1.198 2.932) 3.830 17.135 ( -1.472 0.020 0.419) 1.530 17.210 ( 0.326 2.827 -0.914) 2.989 17.244 ( -1.543 -1.482 1.208) 2.456 17.341 ( 1.325 4.832 -4.973) 7.059 17.399 ( -0.019 -2.056 0.813) 2.210 17.447 ( 0.215 -1.155 0.028) 1.175 17.712 ( -3.441 5.394 2.930) 7.037 17.815 ( 0.835 -5.603 -4.899) 7.489 18.042 ( -4.066 3.473 -1.685) 5.607 18.205 ( 4.805 -3.944 5.042) 8.004 18.395 ( -2.626 -2.997 6.636) 7.740 18.584 ( 2.702 4.818 0.213) 5.528 18.751 ( 5.213 2.581 0.972) 5.897 18.971 ( -8.453 0.979 -2.419) 8.847 19.176 ( -5.174 -1.678 -3.738) 6.600 19.519 ( 3.453 0.892 1.396) 3.830 19.608 ( 3.281 -1.274 1.454) 3.808 19.763 ( -1.769 0.702 1.044) 2.171 19.840 ( -2.062 -0.996 -0.475) 2.339 20.035 ( 1.917 -0.270 1.099) 2.226 20.141 ( -0.086 -3.595 -1.401) 3.859 20.227 ( -1.585 0.783 2.293) 2.896 20.241 ( -2.168 0.954 2.466) 3.419 20.757 ( -2.774 2.500 -1.726) 4.114 21.058 ( -3.763 -5.220 -3.015) 7.106 21.395 ( -1.768 2.469 -0.414) 3.065 21.479 ( -2.173 -0.039 -2.457) 3.281 21.693 ( 1.895 0.208 1.192) 2.249 21.737 ( 0.089 -1.507 1.258) 1.965 21.907 ( 1.917 1.168 0.425) 2.284 21.965 ( 0.997 1.675 -0.385) 1.987 22.291 ( 3.738 0.756 0.043) 3.814 22.333 ( 1.055 1.864 0.410) 2.181 22.647 ( 5.547 -1.851 0.001) 5.848 22.792 ( 1.251 -5.054 1.882) 5.536 ======================= Grid point 97 (52/78) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -8.404 9.570 -11.724) 17.311 1.511 ( -3.805 12.868 0.241) 13.421 1.621 ( 8.030 5.340 -14.523) 17.433 1.714 ( 12.089 7.568 -7.540) 16.133 1.943 ( 1.408 -0.157 1.258) 1.895 1.986 ( -3.237 3.702 7.307) 8.808 2.078 ( 9.212 -1.882 2.584) 9.751 2.096 ( -2.389 -3.876 -4.898) 6.687 2.167 ( -4.801 -3.700 -2.283) 6.477 2.283 ( -4.070 0.381 -2.105) 4.598 2.349 ( 0.785 2.984 -0.139) 3.089 2.400 ( -4.526 -1.671 -3.107) 5.739 2.532 ( 3.168 4.571 -1.896) 5.876 2.589 ( -2.095 4.066 0.447) 4.596 2.620 ( 0.445 -2.160 -0.418) 2.244 2.661 ( -0.307 0.177 1.728) 1.764 2.706 ( -7.978 -10.181 -4.361) 13.650 2.739 ( -0.490 -3.808 -0.963) 3.958 2.863 ( 4.388 2.257 -3.858) 6.264 2.926 ( -5.054 1.032 -2.658) 5.803 3.033 ( 5.551 3.712 1.031) 6.756 3.049 ( -0.708 -0.211 1.171) 1.385 3.111 ( -0.398 -7.872 -0.036) 7.882 3.195 ( 0.633 3.024 4.593) 5.536 3.316 ( 1.563 1.020 6.084) 6.364 3.396 ( -5.468 -1.252 -2.989) 6.357 3.415 ( 1.934 -6.137 0.281) 6.441 3.455 ( 1.046 -1.559 -0.822) 2.049 3.482 ( -0.682 -2.429 3.123) 4.015 3.515 ( 1.151 1.243 2.665) 3.158 3.555 ( -0.659 2.612 -7.451) 7.923 3.618 ( -1.043 -0.251 2.004) 2.273 3.663 ( -0.436 -5.169 -6.990) 8.704 3.699 ( 4.284 1.558 -3.466) 5.726 3.765 ( 3.038 4.995 0.492) 5.867 3.830 ( -1.037 7.359 -8.133) 11.017 3.908 ( 0.582 9.196 -4.649) 10.321 3.919 ( -4.277 2.811 -4.285) 6.674 3.998 ( 0.204 -7.994 -4.170) 9.018 4.086 ( 2.771 0.279 -5.704) 6.347 4.195 ( -2.399 4.012 2.256) 5.190 4.250 ( -2.807 -1.852 0.565) 3.410 4.289 ( 11.141 3.117 0.713) 11.591 4.333 ( -4.737 3.287 -0.393) 5.779 4.495 ( 2.884 0.928 -1.003) 3.192 4.594 ( 3.860 1.245 6.750) 7.875 4.620 ( 1.577 0.963 -0.306) 1.873 4.770 ( 2.077 -1.679 1.811) 3.227 4.802 ( -0.157 -1.086 -2.024) 2.302 4.858 ( -2.793 -3.261 -2.718) 5.082 4.916 ( 1.509 -3.941 1.061) 4.351 5.009 ( 0.214 -0.589 -0.123) 0.639 5.167 ( -1.103 -5.226 -1.311) 5.500 5.235 ( -6.751 -6.955 -3.158) 10.194 5.328 ( -1.141 -0.303 6.307) 6.416 5.486 ( 0.913 -5.892 0.248) 5.967 5.625 ( -2.112 -5.458 4.568) 7.424 5.737 ( -2.681 -0.026 -1.466) 3.056 5.798 ( 2.009 -1.504 4.042) 4.757 5.899 ( 1.607 3.407 5.581) 6.733 5.903 ( -1.947 -0.200 -1.192) 2.292 5.950 ( -2.676 5.981 4.870) 8.164 6.081 ( 2.831 2.832 5.553) 6.846 6.148 ( -6.115 1.387 0.949) 6.342 6.237 ( -3.253 -1.266 10.672) 11.229 6.342 ( -1.625 -0.903 3.938) 4.355 6.371 ( -0.559 1.305 -0.381) 1.470 6.424 ( 1.598 1.378 8.615) 8.870 6.526 ( 5.155 0.382 2.476) 5.731 6.572 ( 0.907 -3.117 -0.049) 3.247 6.682 ( 3.456 0.662 -6.663) 7.535 6.770 ( 4.545 -5.672 0.900) 7.324 6.771 ( -0.582 0.002 0.770) 0.966 6.878 ( -2.752 -2.883 0.256) 3.994 6.921 ( 3.631 2.061 -2.718) 4.982 7.045 ( 3.346 -3.681 -1.260) 5.132 7.241 ( -1.350 0.816 -1.910) 2.477 7.256 ( -4.655 -2.336 -3.771) 6.429 7.309 ( -1.212 -0.806 3.797) 4.066 7.416 ( 3.666 3.615 1.360) 5.325 7.517 ( 2.871 4.867 5.177) 7.663 7.628 ( -0.486 2.017 0.414) 2.115 7.719 ( 0.810 -0.841 1.409) 1.831 7.736 ( -1.475 1.942 1.291) 2.760 7.803 ( -1.372 0.634 -0.740) 1.683 7.901 ( 2.121 2.989 -4.166) 5.549 8.004 ( -6.916 -1.483 0.439) 7.086 8.121 ( 4.713 -3.304 -3.308) 6.639 8.138 ( 1.046 6.466 2.144) 6.892 8.224 ( -2.294 3.996 -2.496) 5.240 8.536 ( -1.111 -6.207 5.009) 8.053 8.669 ( -0.764 -5.858 5.285) 7.927 8.849 ( -0.251 3.412 -4.857) 5.941 8.946 ( 1.348 2.874 -4.705) 5.676 9.155 ( 2.108 -3.335 2.545) 4.695 9.295 ( 6.219 -2.796 -2.837) 7.386 9.500 ( -6.390 1.733 -1.479) 6.784 9.551 ( -2.116 -0.461 -7.309) 7.623 9.584 ( -3.335 1.696 3.639) 5.219 9.814 ( -1.239 7.180 5.554) 9.162 9.862 ( 0.890 -2.313 -6.491) 6.948 10.048 ( 1.171 3.710 -5.166) 6.467 10.156 ( 3.088 -2.470 5.052) 6.415 10.275 ( -1.061 -1.627 -1.057) 2.212 11.797 ( 1.255 1.189 -0.371) 1.769 11.811 ( -0.384 1.084 -0.876) 1.446 11.909 ( -0.416 -0.396 0.766) 0.958 11.943 ( -0.328 -0.923 -0.886) 1.321 13.956 ( -2.542 1.115 7.528) 8.023 14.201 ( -3.724 -6.153 1.996) 7.464 14.213 ( 0.382 -1.304 -0.547) 1.465 14.284 ( 3.907 -2.143 0.040) 4.456 14.441 ( -2.564 0.599 0.096) 2.634 14.475 ( -1.851 0.286 -1.659) 2.502 14.668 ( -0.024 -0.236 0.805) 0.839 14.696 ( 0.709 2.532 1.576) 3.066 14.707 ( 0.497 2.527 -0.372) 2.602 14.784 ( 2.770 -0.162 -1.502) 3.155 14.849 ( 4.573 0.946 -1.571) 4.927 14.900 ( 1.155 -1.747 -2.715) 3.429 15.020 ( 1.392 -2.450 0.523) 2.866 15.075 ( 0.978 -0.427 -2.013) 2.279 15.210 ( -1.408 -0.051 -0.216) 1.425 15.247 ( -1.265 0.176 -1.136) 1.710 15.510 ( -1.693 1.387 1.100) 2.450 15.700 ( -1.150 2.246 -7.852) 8.247 15.740 ( -0.779 -4.227 2.984) 5.233 15.901 ( 4.390 -3.529 -5.395) 7.800 16.098 ( 5.011 6.306 0.148) 8.056 16.187 ( -6.176 2.784 -5.397) 8.661 16.788 ( -1.752 0.436 4.950) 5.269 16.829 ( 0.365 -0.712 2.116) 2.263 17.093 ( -1.600 0.850 1.819) 2.567 17.119 ( -1.911 0.772 1.186) 2.378 17.185 ( 0.050 3.717 -1.972) 4.208 17.268 ( 0.007 0.168 2.238) 2.244 17.308 ( 1.372 2.547 -2.384) 3.749 17.402 ( 0.647 -3.017 -1.061) 3.263 17.480 ( 1.358 -2.154 2.570) 3.618 17.666 ( -2.261 -2.087 -4.006) 5.052 17.801 ( 1.689 5.725 1.803) 6.235 17.947 ( -3.317 5.246 -3.364) 7.059 18.363 ( 5.293 -4.151 5.828) 8.901 18.404 ( -5.327 -4.760 4.032) 8.203 18.633 ( 2.193 4.755 1.705) 5.507 18.754 ( -3.983 4.941 -4.323) 7.679 18.907 ( 2.942 -2.544 2.003) 4.375 19.047 ( -2.769 -2.188 -5.220) 6.301 19.537 ( -1.959 0.044 0.549) 2.035 19.575 ( -2.876 -1.151 -1.273) 3.349 19.794 ( 1.689 1.659 2.436) 3.397 19.863 ( 2.046 -0.206 -0.568) 2.133 20.038 ( -1.351 0.188 0.334) 1.404 20.087 ( -2.078 -0.303 -2.081) 2.956 20.300 ( 4.745 0.312 6.360) 7.941 20.406 ( 5.741 -2.502 5.706) 8.472 20.690 ( -0.658 2.167 -0.387) 2.298 20.938 ( -2.999 -4.328 -7.275) 8.980 21.386 ( 0.588 1.361 0.305) 1.513 21.429 ( -0.150 0.110 -2.140) 2.148 21.738 ( 0.944 -0.215 1.275) 1.601 21.741 ( -0.864 -0.427 0.812) 1.260 21.935 ( 0.271 1.120 0.715) 1.356 21.964 ( 0.103 0.867 -0.708) 1.125 22.331 ( -0.820 1.563 0.344) 1.798 22.338 ( 0.848 1.740 0.084) 1.937 22.731 ( 3.859 -3.366 1.498) 5.335 22.774 ( -3.942 -3.889 -0.555) 5.565 ======================= Grid point 98 (53/78) ======================= q-point: (-0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -14.784 12.154 1.029) 19.166 1.325 ( -16.558 18.227 -0.024) 24.625 1.546 ( 5.060 3.415 -12.003) 13.466 1.755 ( 4.501 6.285 -7.008) 10.434 1.910 ( -8.234 -0.454 -0.626) 8.270 1.979 ( -6.744 5.342 2.740) 9.029 1.992 ( -6.176 -3.785 2.362) 7.619 2.097 ( -4.458 -5.866 2.000) 7.634 2.177 ( -9.379 4.416 -4.908) 11.470 2.182 ( -3.438 0.977 -2.373) 4.290 2.277 ( -0.807 -0.422 2.746) 2.893 2.404 ( 3.608 -3.690 0.753) 5.215 2.496 ( 0.712 2.155 0.891) 2.438 2.577 ( 2.530 -3.633 2.082) 4.892 2.585 ( 3.345 -4.631 -6.249) 8.466 2.649 ( -2.860 -2.203 -0.231) 3.617 2.736 ( -2.074 1.507 -1.609) 3.026 2.751 ( 0.417 1.139 2.596) 2.866 2.852 ( 7.732 -0.361 2.349) 8.089 2.905 ( -0.561 -0.880 1.785) 2.068 3.034 ( -0.336 -4.960 -1.583) 5.218 3.079 ( 0.565 4.788 -4.704) 6.736 3.138 ( -1.930 1.527 -1.284) 2.776 3.238 ( 3.216 1.768 9.200) 9.905 3.313 ( 0.490 -2.835 6.862) 7.440 3.395 ( -1.545 0.238 0.306) 1.593 3.427 ( 2.864 -0.234 -1.800) 3.391 3.486 ( 4.484 -3.767 -1.206) 5.979 3.520 ( -0.470 -9.502 0.632) 9.534 3.534 ( -1.522 -2.981 2.443) 4.144 3.576 ( 1.790 -0.761 -3.352) 3.876 3.596 ( 3.786 2.123 -4.595) 6.321 3.629 ( 0.016 2.728 0.301) 2.744 3.682 ( -3.107 1.657 -1.206) 3.722 3.701 ( 3.795 2.312 -4.187) 6.106 3.796 ( -0.588 -2.280 -5.630) 6.103 3.861 ( 2.115 9.549 1.812) 9.947 3.893 ( -0.447 7.298 -0.520) 7.330 3.949 ( 1.574 -1.377 -2.242) 3.066 4.090 ( 4.857 -0.798 -1.533) 5.155 4.172 ( -5.946 0.000 1.948) 6.257 4.203 ( -1.949 2.749 0.987) 3.511 4.268 ( -1.549 4.589 -2.016) 5.246 4.505 ( 5.867 1.802 -2.346) 6.571 4.513 ( 7.083 -0.741 -2.685) 7.611 4.656 ( 11.033 3.706 1.588) 11.747 4.712 ( 2.189 -0.176 5.453) 5.879 4.754 ( 1.022 0.139 -6.536) 6.616 4.821 ( 2.912 -0.075 -1.576) 3.312 4.894 ( 5.674 -5.696 0.657) 8.066 4.937 ( -2.936 -2.905 -2.506) 4.831 5.024 ( 3.457 -0.722 0.113) 3.533 5.167 ( 1.313 -5.631 3.025) 6.526 5.215 ( 6.104 -5.540 3.553) 8.977 5.410 ( -0.314 -2.210 4.149) 4.711 5.480 ( 3.171 0.245 -0.607) 3.237 5.633 ( -3.169 -5.296 4.662) 7.735 5.726 ( 0.566 -6.088 -0.689) 6.153 5.819 ( -4.746 0.694 -2.382) 5.356 5.895 ( 1.793 0.637 3.001) 3.554 5.937 ( -3.063 4.354 1.197) 5.457 6.003 ( 1.697 5.326 4.782) 7.356 6.063 ( -5.648 1.053 -0.072) 5.746 6.146 ( -1.185 7.412 4.175) 8.589 6.253 ( -3.128 -3.147 0.074) 4.438 6.333 ( -1.226 -2.335 -0.259) 2.650 6.398 ( -4.411 2.199 4.659) 6.782 6.521 ( 0.381 -1.612 3.590) 3.954 6.573 ( -1.133 -4.472 4.414) 6.385 6.632 ( 4.061 2.996 -4.136) 6.525 6.651 ( 5.019 -2.482 -7.895) 9.679 6.711 ( -4.790 0.744 1.442) 5.057 6.773 ( 1.000 -7.390 -8.597) 11.381 6.893 ( 1.045 -4.389 2.439) 5.129 6.993 ( 4.302 -0.942 0.543) 4.437 7.056 ( 3.893 -2.367 -4.052) 6.097 7.162 ( -1.860 1.522 0.269) 2.419 7.221 ( 0.047 4.778 1.382) 4.974 7.345 ( -1.575 -3.509 3.308) 5.074 7.435 ( -1.995 3.409 -3.416) 5.222 7.578 ( 0.229 4.906 -0.144) 4.914 7.611 ( -1.392 2.196 -0.600) 2.668 7.650 ( -5.918 -0.754 1.516) 6.155 7.744 ( -2.420 0.594 2.021) 3.208 7.819 ( 1.647 -2.518 1.099) 3.203 7.874 ( 0.434 4.892 -5.074) 7.062 7.924 ( -4.922 -2.493 3.109) 6.333 8.104 ( -1.530 2.337 -0.248) 2.804 8.151 ( -2.466 6.334 -1.663) 6.998 8.212 ( 3.413 2.341 0.717) 4.200 8.584 ( -3.264 -9.201 6.156) 11.541 8.725 ( 2.176 -7.084 -1.636) 7.589 8.742 ( -4.637 6.155 -0.345) 7.713 8.957 ( 4.986 4.269 -2.901) 7.176 9.125 ( -6.022 0.049 -2.417) 6.489 9.281 ( 0.426 -4.842 -2.939) 5.680 9.415 ( -3.621 2.645 0.608) 4.525 9.561 ( 7.662 0.509 1.903) 7.912 9.629 ( -2.551 -3.294 9.211) 10.109 9.792 ( 3.120 -3.889 -6.973) 8.572 9.888 ( -1.133 7.637 6.071) 9.822 9.988 ( 0.769 5.869 -5.400) 8.012 10.209 ( -2.621 -0.482 -3.102) 4.090 10.246 ( 0.883 -2.728 2.520) 3.818 11.793 ( -0.462 1.407 -0.814) 1.690 11.812 ( 1.137 1.137 -0.587) 1.712 11.924 ( 0.443 -0.563 1.163) 1.366 11.931 ( 0.341 -0.814 -0.675) 1.111 14.021 ( -4.418 -2.850 9.887) 11.198 14.105 ( -7.102 -3.416 -2.312) 8.213 14.186 ( -0.886 0.627 -0.943) 1.438 14.345 ( 3.523 -3.584 -1.434) 5.226 14.439 ( -0.073 -0.117 2.027) 2.032 14.461 ( 1.259 0.099 1.545) 1.995 14.674 ( -0.526 1.981 -0.016) 2.050 14.701 ( -1.201 0.689 0.688) 1.546 14.728 ( 2.099 2.567 0.794) 3.410 14.801 ( -1.026 -2.772 -3.428) 4.527 14.824 ( -0.307 -1.579 -4.079) 4.385 14.891 ( 2.803 -0.472 -3.271) 4.333 15.026 ( -1.270 -0.110 -2.486) 2.793 15.046 ( -0.351 0.697 -1.808) 1.969 15.216 ( 0.906 -0.029 1.115) 1.437 15.262 ( 4.719 0.392 0.747) 4.793 15.563 ( 1.787 1.766 5.838) 6.356 15.593 ( 0.750 3.563 -5.381) 6.497 15.749 ( -2.521 -3.449 2.463) 4.931 15.870 ( 0.684 -4.235 -6.504) 7.791 16.030 ( -5.826 5.970 -2.656) 8.754 16.207 ( 6.313 1.659 2.220) 6.894 16.791 ( -3.675 0.165 2.268) 4.321 16.838 ( -2.081 -0.947 0.727) 2.399 17.106 ( -0.144 0.725 1.484) 1.658 17.115 ( -0.431 1.356 1.986) 2.443 17.166 ( -1.361 4.129 0.731) 4.408 17.266 ( 1.502 4.437 -3.052) 5.591 17.340 ( 0.072 -4.429 3.408) 5.590 17.397 ( 2.153 -2.282 -2.461) 3.988 17.514 ( -1.982 -3.331 -0.431) 3.900 17.610 ( 2.615 -3.510 -0.545) 4.411 17.838 ( -2.127 4.224 -1.152) 4.867 17.928 ( 5.304 12.653 3.333) 14.119 18.348 ( -5.292 -5.063 0.654) 7.354 18.479 ( 1.353 -1.057 2.491) 3.025 18.629 ( -3.887 4.940 -2.969) 6.952 18.720 ( 3.388 4.718 3.998) 7.051 18.965 ( 1.655 -2.974 -3.673) 5.008 19.014 ( 5.105 -2.611 2.665) 6.323 19.513 ( -3.462 0.070 3.227) 4.733 19.537 ( -1.871 -0.438 0.476) 1.980 19.836 ( 0.639 0.473 -0.904) 1.204 19.861 ( 1.106 0.897 -1.540) 2.098 20.030 ( -1.770 0.312 2.261) 2.888 20.045 ( -0.988 -0.242 -0.118) 1.024 20.423 ( 0.304 0.145 -6.495) 6.504 20.464 ( 6.229 -0.738 2.028) 6.592 20.777 ( -1.723 -1.887 -9.050) 9.404 20.823 ( 6.904 -2.300 8.360) 11.083 21.414 ( 1.913 0.587 -0.492) 2.061 21.417 ( 2.037 0.626 -0.478) 2.184 21.715 ( -2.623 0.268 0.100) 2.639 21.766 ( 0.328 -1.182 0.327) 1.269 21.924 ( -1.895 1.396 0.059) 2.354 21.958 ( -0.291 1.376 -0.345) 1.448 22.287 ( -4.445 1.257 0.211) 4.624 22.348 ( -0.375 1.425 -0.039) 1.474 22.672 ( -6.493 -2.332 -1.123) 6.990 22.809 ( 2.313 -6.485 1.902) 7.143 ======================= Grid point 99 (54/78) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -15.944 14.332 14.848) 26.078 1.064 ( -19.488 17.120 4.033) 26.252 1.474 ( -3.252 5.246 -0.659) 6.207 1.678 ( -4.536 12.193 -0.205) 13.011 1.702 ( -15.992 5.648 3.332) 17.284 1.821 ( -15.868 6.903 2.677) 17.510 1.904 ( -2.961 2.769 3.491) 5.350 2.058 ( -5.224 -6.493 5.437) 9.950 2.123 ( 1.132 -1.099 -0.218) 1.593 2.181 ( -1.443 0.340 7.303) 7.452 2.318 ( 0.796 -1.841 -1.970) 2.812 2.332 ( -2.356 -3.861 -7.188) 8.492 2.520 ( -5.309 -3.367 1.820) 6.545 2.584 ( -0.602 -4.474 0.472) 4.539 2.614 ( 0.225 -1.835 0.005) 1.849 2.647 ( 5.914 -1.145 3.141) 6.793 2.739 ( 7.283 1.941 3.776) 8.430 2.832 ( 1.873 -1.913 -0.355) 2.701 2.992 ( 6.284 -2.041 3.709) 7.577 3.012 ( 7.803 0.099 -0.682) 7.834 3.025 ( -1.796 8.253 3.151) 9.015 3.063 ( 3.152 -0.401 2.236) 3.885 3.144 ( 1.160 0.337 -1.295) 1.770 3.286 ( -2.033 -1.600 -5.666) 6.228 3.348 ( -0.453 1.933 1.949) 2.782 3.365 ( 0.361 -3.009 -12.588) 12.948 3.442 ( 0.300 -4.465 -7.139) 8.425 3.465 ( -0.517 -1.108 6.392) 6.508 3.495 ( -0.127 1.869 -3.456) 3.931 3.543 ( 2.950 -4.769 3.396) 6.556 3.598 ( -0.924 -1.447 1.357) 2.188 3.616 ( 1.938 -1.046 1.253) 2.534 3.654 ( 1.114 -2.594 4.372) 5.205 3.680 ( -0.115 -2.728 3.204) 4.209 3.747 ( -2.983 0.650 1.992) 3.645 3.762 ( 4.555 -1.441 -0.630) 4.819 3.860 ( -0.368 6.048 0.286) 6.066 3.915 ( 2.324 6.348 0.194) 6.762 3.997 ( 3.706 4.315 1.150) 5.803 4.074 ( -4.068 2.669 -0.059) 4.866 4.120 ( -4.331 2.275 -1.062) 5.007 4.186 ( -1.240 -0.008 0.341) 1.286 4.250 ( -0.438 0.927 0.732) 1.260 4.448 ( -1.190 -8.233 -0.409) 8.329 4.679 ( 4.788 5.756 -7.484) 10.586 4.734 ( 10.439 8.173 -5.495) 14.351 4.810 ( 5.955 0.664 -5.417) 8.078 4.817 ( 8.413 0.237 0.648) 8.441 4.859 ( 5.971 1.998 2.959) 6.957 4.901 ( 3.711 -2.868 0.245) 4.697 4.977 ( 4.767 -7.656 0.065) 9.020 5.127 ( 8.992 0.159 -0.574) 9.012 5.197 ( 1.393 -1.114 -0.283) 1.806 5.404 ( 2.779 -5.928 0.910) 6.610 5.455 ( 4.983 -6.519 -1.126) 8.282 5.531 ( 3.079 -10.353 1.457) 10.898 5.635 ( -2.722 -4.121 -2.194) 5.404 5.722 ( 1.769 1.197 6.458) 6.802 5.766 ( -2.059 2.979 0.054) 3.622 5.871 ( -2.887 0.270 -3.705) 4.705 5.932 ( -0.172 4.611 2.951) 5.477 5.999 ( -2.277 3.695 1.651) 4.644 6.072 ( -2.748 1.882 1.988) 3.879 6.145 ( -3.854 9.347 0.125) 10.111 6.184 ( -1.282 0.946 -2.011) 2.566 6.283 ( -3.202 -5.287 0.560) 6.206 6.366 ( -4.728 1.665 -0.228) 5.018 6.502 ( -4.356 -1.709 -3.000) 5.559 6.523 ( 1.372 -2.250 -6.424) 6.943 6.575 ( -5.086 -1.199 -0.436) 5.243 6.637 ( 5.770 -0.525 -6.849) 8.971 6.704 ( 2.152 0.247 -3.711) 4.297 6.769 ( 4.420 -0.877 5.418) 7.047 6.927 ( 2.345 -5.564 -1.038) 6.126 7.010 ( 1.897 -0.637 -1.866) 2.736 7.084 ( 4.872 -2.416 -4.226) 6.887 7.201 ( -0.512 1.575 4.554) 4.846 7.242 ( -1.365 6.103 2.676) 6.802 7.308 ( -4.359 4.964 0.299) 6.614 7.380 ( 0.458 -5.240 -0.060) 5.260 7.517 ( -3.017 0.789 -5.643) 6.447 7.540 ( -4.682 -1.990 0.139) 5.089 7.627 ( -3.960 0.526 3.446) 5.276 7.736 ( 1.392 -2.403 -2.863) 3.989 7.796 ( -6.381 2.471 1.048) 6.922 7.837 ( -2.786 -4.891 2.216) 6.049 7.901 ( -0.103 1.889 -1.118) 2.197 8.076 ( -4.835 5.409 2.837) 7.790 8.116 ( 0.275 10.333 -1.282) 10.416 8.245 ( 1.001 1.316 -0.414) 1.705 8.539 ( -3.738 -6.703 -3.037) 8.254 8.708 ( -4.666 2.480 4.184) 6.740 8.728 ( -0.887 -9.367 0.380) 9.417 8.988 ( 0.005 3.290 0.690) 3.362 9.040 ( 3.524 1.072 -6.476) 7.450 9.211 ( -1.474 0.588 -4.234) 4.522 9.443 ( -2.414 2.954 6.128) 7.218 9.682 ( -1.420 -5.809 0.019) 5.980 9.732 ( 4.882 -0.558 6.315) 8.001 9.798 ( 4.584 -2.436 0.718) 5.240 9.890 ( -1.031 5.293 -2.763) 6.059 9.955 ( -0.473 6.103 -1.134) 6.225 10.133 ( -0.765 1.507 -2.548) 3.057 10.260 ( -1.563 -2.985 0.383) 3.391 11.778 ( -0.263 1.554 -0.208) 1.590 11.834 ( 1.676 0.279 1.854) 2.515 11.939 ( 1.030 -0.732 0.284) 1.295 11.949 ( 0.561 -0.671 1.283) 1.553 13.951 ( -6.796 -2.126 -2.693) 7.613 14.039 ( -9.002 -11.478 2.274) 14.763 14.171 ( 0.070 0.928 -0.253) 0.965 14.360 ( 1.676 -4.386 -1.475) 4.921 14.457 ( -0.540 1.257 0.070) 1.370 14.541 ( 2.794 -0.073 3.869) 4.773 14.623 ( -2.932 1.797 -3.062) 4.604 14.669 ( -1.013 -0.646 -3.444) 3.647 14.709 ( -1.564 1.964 0.540) 2.568 14.789 ( 1.878 3.281 -0.881) 3.881 14.813 ( 3.187 -1.298 2.084) 4.023 14.840 ( -0.999 1.863 -2.117) 2.992 14.977 ( -1.521 -2.089 -0.510) 2.634 15.089 ( 4.723 -1.459 2.265) 5.437 15.243 ( 1.091 2.298 1.492) 2.950 15.348 ( 4.783 0.091 -0.421) 4.802 15.598 ( 2.925 1.940 -0.715) 3.582 15.667 ( 0.035 0.857 5.780) 5.844 15.733 ( -4.202 0.825 -4.044) 5.890 15.750 ( -2.781 -1.186 0.347) 3.044 15.978 ( -0.725 5.850 3.536) 6.874 16.340 ( 6.289 -2.247 2.875) 7.270 16.744 ( -4.563 -0.367 -0.055) 4.578 16.786 ( -3.937 0.006 -0.694) 3.998 17.128 ( 0.596 0.927 1.561) 1.911 17.150 ( -0.565 3.053 2.365) 3.902 17.167 ( 0.255 2.252 1.313) 2.619 17.257 ( 0.748 4.463 -0.690) 4.578 17.359 ( 0.427 -6.961 -0.477) 6.991 17.417 ( 1.692 0.444 0.456) 1.808 17.451 ( -0.465 -5.069 -3.645) 6.261 17.683 ( 1.327 -5.207 4.116) 6.769 17.798 ( -0.332 2.726 -0.777) 2.854 18.060 ( 2.251 4.124 1.968) 5.094 18.314 ( 5.043 5.951 -2.974) 8.348 18.487 ( -1.184 1.484 -0.379) 1.936 18.556 ( -1.170 7.848 -2.076) 8.202 18.774 ( 0.298 3.547 -1.854) 4.013 19.025 ( 7.201 -0.895 2.360) 7.630 19.166 ( 7.255 -2.362 5.662) 9.501 19.495 ( -3.619 0.519 -1.196) 3.847 19.532 ( -2.720 -0.264 5.289) 5.954 19.811 ( 0.449 0.334 -1.335) 1.447 19.871 ( 2.065 -0.640 -0.428) 2.204 20.040 ( -0.250 -0.731 1.261) 1.479 20.058 ( 0.439 -0.549 3.445) 3.516 20.345 ( 0.999 0.026 -5.584) 5.673 20.402 ( -1.401 -0.993 -12.043) 12.164 20.763 ( 4.207 2.789 2.106) 5.469 21.032 ( 6.568 -3.974 5.667) 9.542 21.435 ( 3.185 1.349 -0.826) 3.556 21.474 ( 3.377 0.698 1.383) 3.716 21.666 ( -3.280 0.687 -0.344) 3.368 21.750 ( -1.906 -2.708 -0.750) 3.396 21.898 ( -0.694 2.050 -0.487) 2.219 21.938 ( -1.693 2.785 -0.151) 3.262 22.211 ( -5.647 0.215 0.670) 5.691 22.326 ( -1.682 0.918 -0.726) 2.049 22.557 ( -6.664 -1.324 -0.612) 6.822 22.813 ( -3.992 -11.063 -1.953) 11.922 ======================= Grid point 100 (55/78) ======================= q-point: (-0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -14.387 12.306 14.265) 23.705 1.020 ( -8.078 19.449 18.632) 28.119 1.433 ( -5.423 2.521 1.803) 6.247 1.565 ( -5.472 3.077 -5.290) 8.209 1.660 ( -2.970 0.849 2.646) 4.067 1.769 ( -9.957 19.418 29.756) 36.900 1.923 ( -2.918 3.622 5.560) 7.249 2.073 ( -2.043 1.339 3.790) 4.509 2.178 ( 3.203 -0.265 4.386) 5.437 2.213 ( 3.786 4.002 3.725) 6.650 2.333 ( -0.928 -12.019 6.260) 13.584 2.375 ( -1.944 0.401 10.723) 10.906 2.439 ( -4.015 -0.121 4.832) 6.284 2.599 ( 0.373 -8.209 -4.014) 9.145 2.666 ( 2.763 0.542 1.505) 3.193 2.749 ( 4.549 0.295 -1.003) 4.668 2.886 ( 2.911 1.454 1.700) 3.671 2.901 ( 5.273 0.509 3.383) 6.285 2.950 ( -1.619 4.892 -2.556) 5.752 3.058 ( -1.749 2.080 -0.300) 2.734 3.077 ( -3.897 3.916 0.867) 5.592 3.102 ( -1.455 -2.132 -1.726) 3.105 3.153 ( 3.128 -0.928 -0.229) 3.271 3.215 ( 4.924 -1.073 -10.859) 11.971 3.265 ( 1.990 2.338 -3.706) 4.813 3.333 ( 3.922 3.135 1.162) 5.153 3.400 ( -1.174 -3.248 0.512) 3.492 3.459 ( -1.249 -1.295 -1.828) 2.564 3.540 ( 2.170 -3.519 2.640) 4.905 3.583 ( -2.299 -7.675 6.144) 10.096 3.610 ( 0.281 -0.674 0.459) 0.862 3.645 ( -2.216 -4.865 1.151) 5.468 3.708 ( -0.330 -1.195 -1.423) 1.887 3.710 ( -2.291 1.180 2.746) 3.766 3.735 ( -0.893 -3.409 2.639) 4.402 3.831 ( 3.199 -0.057 1.708) 3.627 3.869 ( 2.696 3.214 -2.990) 5.152 3.900 ( -3.305 0.199 -2.859) 4.374 4.022 ( -0.251 0.043 -0.919) 0.953 4.049 ( 0.891 6.045 3.535) 7.060 4.111 ( 0.576 5.570 2.484) 6.125 4.167 ( -2.303 2.490 2.515) 4.222 4.256 ( 1.075 -0.450 1.221) 1.688 4.448 ( -0.248 -11.601 0.898) 11.639 4.594 ( 3.777 4.666 -19.103) 20.024 4.732 ( 6.427 9.735 -4.138) 12.377 4.820 ( 2.292 2.041 -3.074) 4.343 4.869 ( 0.507 1.821 -0.465) 1.946 4.948 ( 3.233 -3.233 -3.667) 5.861 5.020 ( 3.365 -7.266 -3.428) 8.711 5.097 ( 0.397 1.766 -3.112) 3.600 5.118 ( 6.986 -2.464 -5.262) 9.087 5.249 ( -1.170 -1.103 -6.669) 6.860 5.287 ( 1.642 -3.086 -1.419) 3.772 5.510 ( 3.873 -5.368 -1.091) 6.709 5.568 ( -0.358 0.995 -0.546) 1.190 5.675 ( 0.624 -2.588 0.908) 2.813 5.685 ( 0.023 -2.577 -0.812) 2.701 5.796 ( 0.431 -2.578 -0.351) 2.637 5.913 ( 4.527 2.295 0.724) 5.127 5.943 ( -1.640 -4.730 2.561) 5.623 5.978 ( -1.599 5.504 5.814) 8.164 6.036 ( -0.195 -0.839 3.172) 3.287 6.096 ( -2.766 3.676 -0.048) 4.601 6.202 ( -5.804 0.651 -6.869) 9.016 6.256 ( 1.107 -0.398 5.431) 5.557 6.260 ( 0.453 4.356 -2.639) 5.114 6.357 ( -5.486 1.325 -2.095) 6.020 6.508 ( -0.880 0.254 -2.127) 2.316 6.537 ( 2.721 -5.154 -2.797) 6.465 6.642 ( 6.192 0.875 -6.023) 8.682 6.730 ( 2.065 6.617 3.846) 7.927 6.863 ( 2.560 6.763 -0.229) 7.235 6.990 ( 5.778 -6.206 0.418) 8.489 7.031 ( 0.958 -4.042 2.907) 5.070 7.093 ( 2.482 -3.076 -1.854) 4.366 7.232 ( -1.526 -0.709 2.803) 3.269 7.277 ( 1.606 3.836 1.755) 4.513 7.320 ( -0.541 3.301 6.743) 7.527 7.368 ( -3.256 -6.218 -2.263) 7.375 7.393 ( -1.470 -0.135 -2.250) 2.691 7.461 ( -3.413 -1.139 -2.450) 4.353 7.600 ( -6.422 1.870 2.007) 6.983 7.695 ( 0.028 -3.169 -3.135) 4.458 7.728 ( -0.750 3.516 -2.157) 4.193 7.824 ( -2.575 -4.605 3.610) 6.393 7.882 ( -0.134 0.373 -2.039) 2.077 8.010 ( -5.561 7.712 0.560) 9.524 8.130 ( 1.093 7.537 1.537) 7.770 8.256 ( 0.662 2.225 0.755) 2.441 8.458 ( -2.630 -4.992 -1.210) 5.771 8.623 ( -7.443 -0.486 2.197) 7.775 8.753 ( 1.122 -4.005 -2.356) 4.780 8.949 ( -4.598 -3.212 -3.050) 6.385 9.020 ( 3.121 5.911 -6.244) 9.147 9.086 ( -2.871 8.019 -6.098) 10.475 9.475 ( -4.115 -0.628 5.987) 7.292 9.558 ( -6.763 -3.291 -4.453) 8.741 9.777 ( -3.597 3.874 -5.306) 7.490 9.839 ( 0.355 2.525 3.218) 4.106 9.910 ( 1.782 2.181 -0.327) 2.836 9.973 ( 7.296 -0.865 -0.291) 7.353 10.130 ( -0.399 -0.952 2.671) 2.864 10.235 ( -1.154 -2.574 0.302) 2.837 11.788 ( 0.591 1.496 1.503) 2.201 11.906 ( 2.471 -2.353 1.286) 3.647 11.963 ( 0.660 -0.920 1.199) 1.649 11.992 ( 2.345 -1.261 2.336) 3.542 13.798 ( -12.203 -3.967 -1.938) 12.977 13.849 ( -4.625 -1.789 -2.782) 5.686 14.182 ( 0.543 0.308 0.916) 1.108 14.356 ( 0.219 -4.118 -1.742) 4.477 14.410 ( -1.353 1.494 -2.579) 3.273 14.525 ( -1.961 0.120 -4.814) 5.199 14.648 ( 3.330 -0.473 5.258) 6.242 14.682 ( 1.761 1.109 1.741) 2.714 14.732 ( 1.050 1.707 1.926) 2.779 14.817 ( -0.899 -1.025 2.807) 3.120 14.878 ( 2.288 1.057 1.861) 3.133 14.909 ( 5.223 4.187 3.567) 7.585 14.946 ( -3.065 -3.881 1.449) 5.153 15.169 ( 2.737 -2.318 -0.185) 3.592 15.337 ( 4.106 -2.134 0.855) 4.706 15.408 ( 5.703 -1.550 0.569) 5.937 15.560 ( -1.122 3.220 -4.224) 5.429 15.635 ( -1.155 0.710 -0.812) 1.580 15.715 ( -3.843 1.417 1.951) 4.537 15.728 ( -1.569 -0.556 1.629) 2.329 16.121 ( 5.468 3.486 10.068) 11.976 16.471 ( 5.472 -3.870 2.838) 7.279 16.644 ( -5.711 0.739 -2.381) 6.232 16.723 ( -2.961 0.394 -0.727) 3.074 17.135 ( -1.018 -0.295 -0.629) 1.232 17.160 ( 0.976 3.913 -0.736) 4.099 17.210 ( 0.875 1.440 2.733) 3.210 17.245 ( -2.796 1.425 1.149) 3.342 17.388 ( 2.177 -4.888 0.286) 5.358 17.414 ( -0.643 -6.641 0.361) 6.681 17.450 ( 2.832 2.818 -0.192) 4.000 17.735 ( -1.134 -5.264 3.108) 6.217 17.816 ( 2.123 1.379 1.546) 2.966 18.043 ( -2.972 -6.298 -0.044) 6.964 18.324 ( 4.721 11.768 -11.975) 17.441 18.432 ( -2.364 2.773 -4.106) 5.490 18.525 ( 1.018 9.317 -2.988) 9.837 18.713 ( -0.721 2.363 -5.816) 6.319 19.164 ( 3.582 1.707 1.981) 4.435 19.304 ( 1.077 -0.972 -0.405) 1.506 19.407 ( -6.716 -0.156 -2.696) 7.239 19.439 ( -2.797 0.449 -1.805) 3.359 19.817 ( 0.984 1.766 -0.206) 2.032 19.939 ( 2.036 -0.292 0.873) 2.234 20.034 ( 0.346 -0.373 -2.609) 2.658 20.115 ( -2.852 -2.568 -2.960) 4.847 20.376 ( 7.776 -0.951 4.355) 8.963 20.513 ( 22.953 -3.454 13.731) 26.969 20.812 ( -0.173 3.012 -1.499) 3.369 21.155 ( 1.983 -5.126 1.973) 5.839 21.490 ( 3.662 1.843 0.519) 4.132 21.548 ( 2.424 1.549 1.534) 3.260 21.617 ( -1.560 0.943 0.053) 1.824 21.706 ( -1.648 -2.922 -0.545) 3.398 21.889 ( -0.192 3.282 -0.598) 3.342 21.913 ( -0.129 2.102 -0.639) 2.201 22.148 ( -4.003 -1.512 1.708) 4.607 22.285 ( -1.345 0.151 -1.716) 2.186 22.457 ( -5.389 -1.480 -0.289) 5.596 22.595 ( -15.923 -7.237 -4.566) 18.077 ======================= Grid point 101 (56/78) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -6.191 9.837 11.912) 16.643 1.275 ( -4.723 -5.170 6.611) 9.630 1.473 ( 2.510 6.614 -1.517) 7.235 1.568 ( 4.654 -4.028 -6.065) 8.641 1.719 ( 5.445 14.550 10.580) 18.796 1.971 ( 0.462 -9.357 13.546) 16.470 2.162 ( 1.596 9.159 -3.062) 9.788 2.225 ( 1.074 0.864 12.771) 12.845 2.254 ( 3.072 -4.579 5.536) 7.813 2.331 ( 4.743 -6.900 2.465) 8.728 2.438 ( -4.752 0.835 7.237) 8.698 2.465 ( -3.823 -1.224 8.803) 9.675 2.515 ( -2.323 8.192 -7.659) 11.453 2.644 ( -1.257 -2.952 -5.622) 6.473 2.725 ( 0.334 1.164 -3.373) 3.584 2.757 ( 2.379 2.573 -3.948) 5.279 2.895 ( -0.955 12.419 12.772) 17.840 2.964 ( 0.432 5.251 7.388) 9.074 3.013 ( -2.171 1.495 1.793) 3.188 3.063 ( -2.284 2.861 3.094) 4.793 3.106 ( -4.836 -1.012 -1.816) 5.264 3.118 ( -1.203 1.580 0.021) 1.986 3.137 ( 2.945 -1.476 4.325) 5.437 3.215 ( -3.663 2.834 5.939) 7.531 3.291 ( -0.496 -2.983 1.251) 3.273 3.320 ( -0.784 0.019 2.405) 2.530 3.343 ( 2.820 -5.928 7.680) 10.104 3.437 ( -3.637 -3.232 2.397) 5.424 3.477 ( 4.097 -5.479 0.559) 6.865 3.540 ( -2.703 -6.608 0.071) 7.140 3.574 ( 4.928 2.798 -4.168) 7.035 3.606 ( 2.570 -0.264 -3.188) 4.104 3.669 ( -3.211 -0.733 -1.741) 3.725 3.686 ( -2.016 -1.014 -1.232) 2.571 3.758 ( 4.458 2.428 4.556) 6.821 3.824 ( 4.810 -2.229 6.077) 8.064 3.894 ( 3.299 2.438 -0.364) 4.118 3.910 ( 1.065 3.686 -6.161) 7.258 3.992 ( 0.013 -4.971 0.873) 5.047 4.050 ( -0.308 -8.089 -1.870) 8.309 4.147 ( 0.055 5.504 -5.459) 7.752 4.260 ( 0.595 -0.488 0.111) 0.777 4.282 ( -0.988 0.473 -6.464) 6.556 4.341 ( 1.618 -1.489 2.883) 3.626 4.516 ( 1.458 7.252 -11.657) 13.805 4.699 ( -0.184 -10.522 -14.974) 18.302 4.763 ( -3.730 3.977 -5.778) 7.944 4.844 ( -1.574 -3.449 -6.330) 7.378 4.865 ( -0.229 0.829 1.858) 2.047 4.912 ( -3.102 -2.446 -0.933) 4.059 5.047 ( 1.039 8.386 -1.193) 8.534 5.166 ( 1.784 9.190 -8.636) 12.737 5.193 ( -3.090 -3.908 0.439) 5.002 5.305 ( 1.050 6.003 4.532) 7.595 5.402 ( 4.021 -10.540 -5.193) 12.419 5.502 ( 0.342 -13.305 1.207) 13.364 5.627 ( -1.614 2.689 -2.303) 3.891 5.690 ( -1.575 -3.638 -5.720) 6.959 5.751 ( 0.914 6.362 7.052) 9.541 5.875 ( -2.491 -6.336 5.325) 8.644 5.999 ( 1.798 1.859 -0.269) 2.600 6.042 ( 1.025 -1.627 -0.911) 2.128 6.108 ( -1.780 2.011 0.889) 2.829 6.120 ( -4.565 4.522 0.688) 6.462 6.153 ( -0.040 0.646 -3.803) 3.858 6.197 ( -1.831 -1.434 -0.852) 2.477 6.246 ( -1.123 2.864 2.033) 3.687 6.329 ( -1.510 -5.680 -2.132) 6.252 6.436 ( 0.653 6.783 -1.872) 7.067 6.566 ( 4.963 -6.250 -2.216) 8.283 6.749 ( 1.453 9.491 2.744) 9.986 6.924 ( -2.281 -6.940 2.638) 7.767 6.936 ( -1.005 -1.220 1.456) 2.149 6.965 ( -0.068 -1.569 1.697) 2.312 7.022 ( 0.919 2.477 0.194) 2.649 7.054 ( 4.292 0.786 -2.487) 5.023 7.184 ( -0.762 -0.760 1.046) 1.501 7.226 ( 0.177 -2.507 2.057) 3.248 7.328 ( 0.551 0.626 -4.037) 4.122 7.360 ( 0.077 -2.105 -3.410) 4.008 7.436 ( -1.058 2.478 4.344) 5.112 7.468 ( 0.657 -0.785 3.039) 3.207 7.555 ( -1.090 4.380 2.005) 4.939 7.652 ( -0.308 -4.507 1.745) 4.843 7.731 ( 2.234 3.611 -0.935) 4.348 7.807 ( 1.684 -3.988 2.860) 5.189 7.907 ( 1.655 4.298 -4.690) 6.573 7.973 ( -0.445 -2.178 -3.043) 3.768 8.323 ( 2.401 7.194 1.135) 7.669 8.360 ( -0.782 5.280 0.423) 5.355 8.446 ( 1.608 -0.189 2.741) 3.184 8.521 ( -4.959 -5.563 3.168) 8.098 8.717 ( 3.290 3.574 -5.688) 7.480 8.783 ( 0.255 -2.779 -5.175) 5.879 9.050 ( -1.876 3.341 -2.818) 4.756 9.088 ( -0.455 -0.171 -3.991) 4.020 9.379 ( -3.616 0.949 1.738) 4.123 9.437 ( -3.040 -4.563 2.102) 5.871 9.788 ( -0.329 6.165 -4.154) 7.441 9.879 ( -0.056 -2.376 -5.302) 5.810 9.953 ( -0.501 2.701 3.681) 4.593 10.029 ( 2.233 -2.332 2.820) 4.286 10.110 ( -1.164 1.743 0.986) 2.316 10.190 ( 1.880 -4.468 -0.470) 4.870 11.860 ( 0.609 2.019 1.901) 2.839 11.896 ( 0.356 -1.541 0.522) 1.666 11.972 ( -0.179 -0.177 1.278) 1.302 11.992 ( -0.193 -1.994 0.745) 2.137 13.717 ( -1.491 2.645 1.789) 3.524 13.765 ( 0.113 -2.216 -0.483) 2.271 14.207 ( 0.544 0.986 0.047) 1.128 14.251 ( 0.180 -3.572 -1.896) 4.047 14.414 ( -0.228 1.890 -1.072) 2.184 14.440 ( -1.108 -0.613 -2.398) 2.712 14.730 ( 0.830 1.046 1.942) 2.357 14.752 ( 0.340 0.096 1.347) 1.393 14.820 ( -0.575 0.131 2.791) 2.853 14.837 ( -1.000 -2.061 2.281) 3.232 14.874 ( 0.573 2.194 3.207) 3.927 14.925 ( 2.621 -2.490 2.001) 4.132 15.063 ( 1.866 3.536 -0.447) 4.023 15.120 ( 1.049 -2.654 -2.703) 3.931 15.353 ( -0.861 2.205 0.724) 2.476 15.405 ( -0.502 -2.983 -0.348) 3.045 15.595 ( -0.130 1.202 0.773) 1.435 15.624 ( 1.292 -1.511 0.084) 1.990 15.670 ( -0.978 0.941 -2.050) 2.458 15.699 ( 0.648 -1.752 -1.872) 2.645 16.384 ( 2.293 4.285 8.699) 9.964 16.470 ( 0.023 -4.356 5.659) 7.141 16.609 ( -1.305 2.833 -1.960) 3.684 16.655 ( -2.186 -1.758 -1.793) 3.330 17.103 ( -1.667 0.427 -0.856) 1.922 17.123 ( -2.666 -1.412 -1.630) 3.429 17.251 ( 0.485 3.142 -0.285) 3.192 17.318 ( 1.807 -3.469 -3.071) 4.973 17.325 ( -1.140 3.567 4.007) 5.485 17.385 ( -0.427 -2.198 2.999) 3.742 17.594 ( 2.346 3.840 2.010) 4.928 17.670 ( 1.916 -3.860 0.076) 4.310 17.885 ( 0.304 0.618 3.213) 3.286 17.927 ( -0.707 -3.656 5.641) 6.759 18.297 ( -2.414 4.721 -11.492) 12.656 18.346 ( -1.714 -1.108 -7.888) 8.148 18.623 ( 1.090 4.153 -4.825) 6.459 18.652 ( 0.099 0.881 -6.063) 6.128 19.170 ( -2.977 0.270 -1.019) 3.158 19.175 ( -3.979 -0.292 -1.320) 4.202 19.447 ( 0.941 1.629 2.281) 2.956 19.466 ( 1.445 -0.336 1.250) 1.940 19.913 ( 1.220 3.564 1.830) 4.188 19.959 ( 0.224 -0.875 0.347) 0.967 19.992 ( -0.948 0.009 -1.835) 2.065 20.002 ( -1.897 -0.643 -1.085) 2.278 20.584 ( 7.178 3.741 5.190) 9.615 20.685 ( 2.055 -5.451 1.808) 6.100 20.896 ( 3.124 0.196 0.734) 3.215 20.982 ( -6.660 -6.910 -2.635) 9.953 21.549 ( 0.417 0.400 0.308) 0.655 21.556 ( -0.571 -0.149 -0.202) 0.624 21.684 ( 2.539 0.772 0.425) 2.687 21.691 ( 1.928 0.113 -0.351) 1.963 21.922 ( -1.528 1.734 -0.588) 2.385 21.932 ( 1.312 0.892 -1.133) 1.950 22.111 ( -2.229 0.421 2.135) 3.116 22.155 ( -2.464 -3.696 0.048) 4.442 22.408 ( 0.510 1.273 0.218) 1.389 22.427 ( 0.607 -0.736 -0.629) 1.143 ======================= Grid point 102 (57/78) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 4.301 4.213 8.101) 10.093 1.309 ( -0.513 -2.046 3.386) 3.989 1.549 ( 11.110 5.284 -3.515) 12.795 1.623 ( 13.145 -1.908 -6.206) 14.661 1.965 ( 5.330 11.344 10.576) 16.400 2.045 ( 1.389 10.500 -10.715) 15.066 2.184 ( 1.598 -3.431 6.857) 7.832 2.287 ( 0.692 -6.847 -5.998) 9.129 2.321 ( -2.954 3.694 -1.761) 5.047 2.378 ( -3.075 -0.531 3.675) 4.821 2.434 ( -4.666 -2.089 -1.505) 5.329 2.440 ( 1.851 -0.119 4.412) 4.786 2.535 ( -0.481 1.184 3.470) 3.698 2.548 ( -1.948 -3.000 5.003) 6.151 2.703 ( 1.342 -1.775 -1.146) 2.503 2.723 ( 2.379 -1.617 -3.536) 4.558 2.879 ( -8.025 -0.663 2.396) 8.401 2.893 ( -6.047 -0.780 -2.019) 6.423 3.027 ( -3.273 0.731 4.599) 5.692 3.046 ( -4.497 -1.813 3.182) 5.799 3.099 ( -5.298 4.254 -1.937) 7.065 3.199 ( 2.157 -4.116 0.095) 4.648 3.215 ( -0.859 4.701 2.709) 5.493 3.271 ( -5.003 -1.036 4.736) 6.967 3.338 ( -5.108 1.075 4.691) 7.018 3.362 ( 2.395 7.442 8.306) 11.407 3.423 ( -0.263 2.049 2.869) 3.535 3.463 ( 2.066 2.854 -0.365) 3.542 3.485 ( 1.997 -0.163 -0.032) 2.004 3.546 ( 2.189 0.193 -4.931) 5.399 3.574 ( 3.358 1.103 0.766) 3.616 3.616 ( 1.434 -2.910 3.613) 4.856 3.664 ( 4.263 2.165 -0.759) 4.841 3.691 ( 5.486 1.540 -1.664) 5.936 3.793 ( -0.350 1.918 -0.267) 1.968 3.831 ( 1.184 -1.571 -4.885) 5.266 3.915 ( 1.820 3.800 -4.088) 5.870 3.967 ( 5.078 0.265 -5.418) 7.431 4.010 ( 0.538 -3.801 1.297) 4.052 4.054 ( 3.241 -7.473 -0.894) 8.195 4.117 ( 2.295 3.068 -0.322) 3.844 4.174 ( 4.095 3.270 -6.306) 8.199 4.279 ( -0.314 -5.163 0.077) 5.173 4.336 ( 1.826 -3.245 -3.151) 4.878 4.482 ( -0.938 -4.086 1.604) 4.489 4.532 ( -1.188 -6.791 -7.472) 10.166 4.685 ( -2.610 1.992 2.886) 4.372 4.732 ( -2.119 -2.712 -0.608) 3.495 4.846 ( -4.362 3.361 -0.467) 5.526 4.868 ( -1.760 1.092 1.379) 2.489 5.027 ( -2.086 5.659 0.532) 6.055 5.103 ( 0.692 11.546 -4.787) 12.518 5.181 ( -4.500 -7.792 5.416) 10.503 5.316 ( 1.889 -6.698 -4.044) 8.049 5.395 ( -7.193 -0.134 -5.307) 8.940 5.454 ( -1.216 -6.911 1.152) 7.111 5.586 ( -0.792 0.474 1.320) 1.610 5.634 ( 0.552 -4.856 1.311) 5.060 5.826 ( -5.239 3.280 -0.248) 6.186 5.852 ( -2.106 -0.472 3.353) 3.988 5.973 ( -4.230 2.360 -1.184) 4.987 5.997 ( -1.345 0.426 1.239) 1.878 6.086 ( -2.588 1.719 0.563) 3.158 6.103 ( -3.184 0.565 3.878) 5.049 6.118 ( -2.440 -0.842 1.720) 3.102 6.171 ( 1.012 -3.159 -2.739) 4.302 6.282 ( -0.193 1.578 3.148) 3.526 6.315 ( -0.051 -1.504 3.190) 3.527 6.466 ( 2.826 3.935 -1.659) 5.120 6.526 ( 3.185 -0.521 -10.882) 11.350 6.745 ( -7.480 3.309 1.498) 8.315 6.858 ( -6.696 -6.905 1.576) 9.747 6.945 ( 2.835 2.376 2.690) 4.573 7.013 ( -0.170 -1.249 1.390) 1.876 7.043 ( 3.110 0.813 -0.385) 3.237 7.074 ( 1.910 -2.226 -2.470) 3.835 7.191 ( -1.605 1.125 -1.037) 2.218 7.237 ( -1.959 -0.894 0.024) 2.153 7.311 ( 1.808 -0.512 -3.851) 4.285 7.324 ( 3.361 -1.012 -0.204) 3.516 7.437 ( -1.814 2.787 0.827) 3.427 7.488 ( -1.280 -1.958 1.436) 2.745 7.619 ( 1.877 2.706 0.559) 3.340 7.647 ( 0.749 0.120 -0.670) 1.012 7.780 ( 1.644 3.166 1.690) 3.947 7.845 ( -0.029 -4.118 1.439) 4.362 7.919 ( 9.062 4.995 -4.603) 11.325 8.020 ( 9.184 -4.208 -1.135) 10.166 8.320 ( -3.134 5.981 -0.608) 6.780 8.337 ( -2.095 5.212 0.302) 5.625 8.457 ( -4.599 -1.380 0.230) 4.807 8.491 ( -3.207 -4.573 3.399) 6.538 8.769 ( 10.096 1.889 -3.992) 11.020 8.782 ( 7.552 -0.075 -2.126) 7.846 9.042 ( 1.028 1.731 1.263) 2.377 9.060 ( 1.499 -0.351 -0.537) 1.630 9.428 ( 1.742 -0.405 3.585) 4.007 9.445 ( 2.642 -1.889 3.253) 4.597 9.769 ( 0.344 3.108 1.274) 3.377 9.821 ( 1.157 -1.925 -4.175) 4.741 9.965 ( -2.366 4.931 1.885) 5.785 10.072 ( 1.943 -1.320 -1.390) 2.729 10.111 ( -1.495 0.418 2.144) 2.647 10.202 ( 1.624 -4.845 -2.126) 5.535 11.880 ( -0.858 0.884 0.404) 1.297 11.887 ( -0.795 0.401 -0.571) 1.058 11.975 ( -1.597 -1.046 0.738) 2.046 11.981 ( -1.367 -1.441 0.139) 1.991 13.752 ( 2.341 2.307 1.862) 3.778 13.790 ( 3.926 -1.634 -0.510) 4.283 14.219 ( 0.071 -0.933 -0.241) 0.966 14.231 ( 0.413 -2.265 -1.182) 2.588 14.405 ( 0.076 1.940 0.017) 1.942 14.424 ( 1.340 0.094 0.431) 1.411 14.751 ( -0.308 0.284 0.024) 0.420 14.764 ( 0.484 -0.692 -0.171) 0.862 14.801 ( -3.886 1.293 0.581) 4.136 14.841 ( -2.178 -2.116 2.524) 3.948 14.923 ( 0.514 2.082 -0.266) 2.161 14.959 ( 0.843 -1.844 -0.689) 2.141 15.077 ( 1.233 1.162 -2.047) 2.658 15.090 ( 1.483 -0.178 -2.539) 2.946 15.324 ( -5.061 1.127 1.578) 5.420 15.357 ( -4.452 -2.190 0.144) 4.964 15.551 ( -3.254 2.265 0.272) 3.974 15.599 ( -1.683 -2.679 -0.412) 3.191 15.721 ( 6.410 1.790 0.059) 6.656 15.773 ( 7.739 -3.529 -0.971) 8.561 16.458 ( -4.592 4.741 -0.855) 6.655 16.509 ( -0.346 0.047 5.448) 5.459 16.590 ( -0.564 0.513 -2.358) 2.478 16.626 ( 2.315 -2.681 1.513) 3.851 17.085 ( -1.542 -0.227 1.015) 1.859 17.088 ( -0.520 -0.708 1.325) 1.589 17.242 ( -1.284 2.604 0.045) 2.904 17.296 ( 0.233 -3.070 -2.432) 3.923 17.363 ( -0.217 3.086 3.232) 4.474 17.411 ( 0.841 -1.128 0.455) 1.479 17.618 ( -0.284 2.586 -1.570) 3.039 17.694 ( 2.533 -4.454 -1.982) 5.493 17.919 ( -3.301 5.378 3.144) 7.051 17.999 ( 0.496 -1.999 2.311) 3.095 18.158 ( -2.097 1.685 0.347) 2.712 18.210 ( -0.885 -2.858 -5.632) 6.377 18.611 ( 1.562 2.512 -1.670) 3.397 18.622 ( 2.716 1.472 -0.864) 3.208 19.156 ( -0.113 0.370 2.178) 2.212 19.169 ( 1.039 -0.927 2.705) 3.042 19.450 ( -2.069 1.284 0.018) 2.435 19.465 ( -1.447 -0.183 -0.774) 1.652 19.924 ( -2.451 1.994 -1.513) 3.503 19.944 ( -0.580 -0.429 0.698) 1.004 19.980 ( 0.035 1.080 0.014) 1.081 19.998 ( 1.627 -0.097 1.240) 2.048 20.553 ( -10.205 3.089 -4.502) 11.574 20.640 ( -8.496 -5.534 -1.972) 10.329 20.845 ( -2.611 4.977 0.608) 5.653 20.990 ( 1.230 -9.839 2.792) 10.301 21.546 ( -1.068 1.421 -0.006) 1.778 21.567 ( 0.574 -0.978 0.431) 1.214 21.679 ( -1.177 0.539 -1.562) 2.029 21.688 ( -0.882 -0.272 -0.967) 1.337 21.903 ( 0.154 3.010 -0.055) 3.015 21.944 ( 1.473 -0.566 -0.484) 1.651 22.142 ( 3.477 1.439 1.506) 4.053 22.196 ( 4.850 -3.526 1.186) 6.112 22.456 ( 5.433 1.328 -0.337) 5.603 22.487 ( 6.864 -1.793 -0.277) 7.099 ======================= Grid point 103 (58/78) ======================= q-point: ( 0.25 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 7.575 5.316 -0.452) 9.265 1.432 ( 8.947 -1.471 2.824) 9.497 1.685 ( 10.305 7.419 -3.704) 13.228 1.769 ( 11.846 -1.460 -3.914) 12.561 1.927 ( 4.632 9.454 -8.257) 13.380 2.065 ( -2.733 -4.452 -3.608) 6.349 2.117 ( -0.983 7.359 -5.935) 9.505 2.263 ( -1.788 1.197 -1.363) 2.547 2.296 ( 2.354 1.658 -5.217) 5.959 2.318 ( 1.472 -2.472 -4.637) 5.457 2.421 ( 0.376 -0.901 7.285) 7.350 2.519 ( -3.445 -6.415 4.036) 8.326 2.562 ( -2.163 4.285 2.902) 5.609 2.640 ( 0.244 5.238 6.982) 8.731 2.698 ( 3.450 -4.057 -5.294) 7.509 2.715 ( -0.226 -0.621 -2.596) 2.678 2.794 ( -7.728 -0.619 5.596) 9.561 2.853 ( -4.191 -5.457 6.937) 9.771 2.962 ( -3.862 4.794 -3.647) 7.155 2.981 ( -4.851 -1.019 -4.285) 6.552 3.014 ( -2.642 0.281 -2.338) 3.539 3.121 ( -6.843 2.065 -1.615) 7.328 3.189 ( -1.842 0.280 -0.751) 2.009 3.211 ( -2.321 -3.978 1.448) 4.828 3.287 ( -0.890 3.795 -7.253) 8.234 3.347 ( -3.798 1.209 -3.334) 5.196 3.401 ( -0.708 -1.435 -5.455) 5.685 3.442 ( 2.680 6.187 0.041) 6.743 3.553 ( 0.129 -6.836 -1.582) 7.018 3.571 ( 2.191 -6.320 0.982) 6.760 3.617 ( 3.150 7.261 -4.028) 8.881 3.683 ( 3.747 4.134 -2.408) 6.077 3.717 ( 0.147 0.975 -3.517) 3.653 3.759 ( 2.994 -0.620 1.528) 3.418 3.770 ( 0.879 -0.324 0.219) 0.962 3.828 ( 3.026 -3.872 -2.746) 5.630 3.917 ( 5.247 7.134 -0.409) 8.865 3.976 ( 3.622 2.708 -3.022) 5.439 4.024 ( -0.233 -4.381 -2.605) 5.102 4.068 ( 3.479 -5.249 -1.148) 6.401 4.174 ( 4.474 1.663 2.658) 5.463 4.251 ( 2.066 -4.438 5.843) 7.623 4.280 ( 2.907 5.331 1.938) 6.374 4.337 ( 0.296 5.351 -1.594) 5.591 4.421 ( -2.074 -5.474 -2.133) 6.230 4.518 ( -2.263 -8.074 1.284) 8.483 4.746 ( -4.241 5.198 4.979) 8.355 4.776 ( 0.737 1.329 5.767) 5.964 4.820 ( -0.133 -4.045 6.533) 7.685 4.874 ( -1.208 -4.958 4.493) 6.799 4.993 ( -4.284 5.052 1.117) 6.717 5.032 ( -2.717 8.781 -1.251) 9.276 5.155 ( -4.585 -5.281 1.473) 7.147 5.192 ( -4.440 -1.126 -5.406) 7.086 5.344 ( -2.514 -2.738 -0.552) 3.758 5.391 ( -3.018 -11.048 0.786) 11.480 5.597 ( -3.667 2.027 1.861) 4.585 5.645 ( -2.616 -2.224 0.398) 3.456 5.729 ( -2.725 1.524 -1.034) 3.289 5.781 ( -4.670 -3.028 -1.456) 5.754 5.919 ( -2.419 3.972 2.050) 5.082 5.995 ( -2.745 -2.853 0.735) 4.027 6.080 ( -1.954 5.370 7.640) 9.540 6.144 ( 1.660 0.506 3.132) 3.581 6.178 ( 0.990 -0.989 6.150) 6.307 6.206 ( 1.048 -3.101 5.580) 6.469 6.321 ( -3.262 2.337 2.761) 4.871 6.328 ( -1.465 1.195 2.022) 2.768 6.426 ( 1.499 0.451 -4.631) 4.889 6.446 ( 2.687 -0.084 -6.618) 7.143 6.674 ( -2.929 4.583 0.204) 5.443 6.782 ( -4.220 -4.752 0.590) 6.383 6.968 ( -2.278 1.233 -2.420) 3.545 7.009 ( 0.439 4.213 -7.100) 8.268 7.027 ( -1.233 -0.490 -3.592) 3.830 7.069 ( 1.116 -1.970 -3.202) 3.922 7.151 ( -0.824 -2.506 1.980) 3.298 7.179 ( -1.763 -4.073 1.294) 4.623 7.347 ( 1.080 4.001 4.317) 5.984 7.392 ( 2.505 -1.264 3.131) 4.204 7.422 ( 0.228 1.409 -1.446) 2.032 7.493 ( 0.889 -4.907 1.012) 5.088 7.613 ( 2.074 8.027 -1.691) 8.461 7.689 ( 1.335 0.189 1.700) 2.170 7.811 ( 3.736 -0.545 -2.433) 4.491 7.872 ( 3.398 -6.161 -1.176) 7.133 8.038 ( 8.767 6.905 -1.610) 11.275 8.138 ( 6.650 -2.286 -2.472) 7.454 8.252 ( -2.864 4.718 -1.415) 5.697 8.294 ( -2.186 0.893 0.438) 2.402 8.408 ( -2.829 0.932 1.465) 3.320 8.488 ( -4.239 -5.498 4.802) 8.442 8.873 ( 9.155 0.909 -2.448) 9.520 8.904 ( 6.345 -2.214 1.003) 6.795 9.061 ( -0.161 3.377 0.653) 3.443 9.110 ( 2.165 -1.045 1.459) 2.812 9.491 ( 4.029 3.863 1.181) 5.705 9.588 ( 6.759 -5.609 0.834) 8.823 9.808 ( 1.100 1.845 2.175) 3.056 9.833 ( 2.323 -0.226 2.953) 3.764 9.938 ( -2.966 7.183 -0.098) 7.772 10.046 ( 0.765 0.221 -5.466) 5.524 10.121 ( -1.421 -1.701 2.320) 3.209 10.185 ( 0.827 -4.593 -2.135) 5.132 11.845 ( -1.278 1.548 -1.441) 2.471 11.868 ( -1.486 -0.678 -0.528) 1.716 11.947 ( -2.063 -0.102 -0.020) 2.066 11.961 ( -1.561 -1.387 -0.039) 2.088 13.832 ( 4.131 2.151 2.490) 5.281 13.876 ( 6.793 -2.556 1.020) 7.330 14.197 ( -0.736 -0.135 -0.974) 1.228 14.225 ( -1.383 -3.213 0.441) 3.526 14.441 ( 2.918 3.115 1.563) 4.545 14.483 ( 3.625 -0.655 2.345) 4.367 14.698 ( -4.179 0.513 -2.987) 5.162 14.727 ( -2.507 -1.246 -1.451) 3.153 14.780 ( -0.276 2.663 0.055) 2.678 14.830 ( -1.009 -1.678 -0.398) 1.998 14.889 ( -0.754 1.606 -2.939) 3.433 14.943 ( 0.371 -3.645 -2.525) 4.450 15.038 ( -1.642 2.187 -3.776) 4.662 15.075 ( -1.221 -1.322 -0.477) 1.861 15.276 ( -3.158 0.336 1.612) 3.561 15.296 ( -4.010 -1.439 1.520) 4.523 15.543 ( -0.133 2.821 1.780) 3.338 15.600 ( 0.441 -3.063 1.192) 3.316 15.807 ( 4.864 1.830 -1.152) 5.323 15.852 ( 5.320 -2.733 -2.772) 6.592 16.346 ( -3.461 7.182 -5.334) 9.592 16.454 ( -2.724 -3.993 -5.635) 7.424 16.641 ( 1.049 3.038 5.814) 6.643 16.695 ( 1.537 -2.373 3.668) 4.631 17.098 ( -0.937 0.948 3.223) 3.488 17.117 ( -0.244 -1.029 3.185) 3.356 17.222 ( -1.369 1.818 0.356) 2.304 17.265 ( -0.738 -2.519 -1.422) 2.986 17.390 ( -0.230 2.290 0.462) 2.347 17.418 ( 1.458 -0.016 -2.079) 2.539 17.560 ( -0.737 5.684 -4.665) 7.390 17.686 ( 1.652 -7.419 -3.815) 8.504 17.872 ( -2.395 6.501 -0.261) 6.933 17.995 ( 0.436 -6.612 -2.243) 6.995 18.171 ( -2.678 4.599 7.148) 8.912 18.255 ( -1.816 -4.069 8.925) 9.976 18.635 ( 2.951 3.985 -0.264) 4.965 18.678 ( 4.220 -0.291 0.659) 4.281 19.163 ( -4.788 3.010 0.914) 5.729 19.219 ( -2.476 -2.665 2.101) 4.201 19.444 ( 3.275 0.806 1.006) 3.520 19.459 ( 3.811 -0.689 0.990) 3.997 19.852 ( -3.900 2.966 -1.933) 5.267 19.900 ( -4.165 -2.008 -1.694) 4.924 20.000 ( 1.467 1.809 1.000) 2.534 20.047 ( 1.798 -2.764 1.182) 3.502 20.337 ( -9.097 1.796 -3.302) 9.843 20.390 ( -11.457 -3.575 -4.741) 12.904 20.861 ( -0.887 6.289 1.497) 6.525 20.999 ( -2.528 -8.024 0.766) 8.447 21.503 ( -3.263 2.591 -1.080) 4.304 21.541 ( -3.183 -1.438 -1.384) 3.757 21.663 ( 1.304 0.633 0.058) 1.450 21.680 ( 0.952 -1.217 0.308) 1.576 21.918 ( 1.479 2.908 0.024) 3.263 21.962 ( 1.299 -1.078 -0.186) 1.698 22.237 ( 5.892 2.568 0.756) 6.471 22.291 ( 4.750 -2.146 0.938) 5.296 22.547 ( 6.190 1.221 -0.280) 6.315 22.601 ( 6.724 -4.148 0.674) 7.929 ======================= Grid point 104 (59/78) ======================= q-point: ( 0.38 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 12.306 5.983 2.006) 13.830 1.601 ( 8.523 0.503 0.048) 8.538 1.731 ( 11.037 10.325 -7.767) 16.993 1.850 ( 6.008 -1.589 -5.146) 8.069 1.967 ( -0.335 1.756 -0.066) 1.789 1.986 ( 1.298 3.888 -5.022) 6.482 2.006 ( 0.163 6.659 -4.162) 7.854 2.191 ( -4.864 -1.282 -4.000) 6.426 2.227 ( 1.066 -5.840 -1.516) 6.127 2.301 ( -7.364 -6.930 -9.302) 13.740 2.365 ( 1.679 6.044 -2.754) 6.850 2.495 ( 0.766 -5.559 -3.596) 6.665 2.561 ( -0.314 4.793 -2.580) 5.452 2.630 ( -2.487 1.428 -3.730) 4.705 2.680 ( -1.873 2.226 2.876) 4.091 2.719 ( -2.843 4.663 0.171) 5.463 2.790 ( -3.759 -6.569 5.488) 9.349 2.815 ( -2.821 -1.448 -0.150) 3.174 2.885 ( -2.541 2.357 0.098) 3.467 2.909 ( 3.665 6.533 -5.054) 9.036 3.008 ( -5.712 1.826 1.590) 6.204 3.044 ( 3.936 -6.499 1.448) 7.735 3.147 ( 1.705 6.840 -6.477) 9.573 3.180 ( -2.106 -3.660 -2.316) 4.816 3.210 ( -5.413 -3.817 -0.933) 6.689 3.235 ( 0.683 -8.112 0.416) 8.151 3.342 ( -0.528 3.806 1.341) 4.069 3.466 ( -3.552 -3.227 -1.390) 4.996 3.504 ( 2.960 3.552 -2.398) 5.209 3.580 ( 1.220 -2.225 -2.539) 3.590 3.614 ( 1.143 1.104 -2.517) 2.976 3.644 ( 0.784 -0.378 -5.178) 5.250 3.713 ( 0.130 -0.646 -3.861) 3.917 3.745 ( 4.233 -0.582 -1.145) 4.424 3.769 ( 1.336 0.559 -3.714) 3.987 3.877 ( 5.105 -7.253 -1.514) 8.998 3.944 ( -1.308 6.336 -0.911) 6.533 4.025 ( 1.261 0.728 -1.885) 2.382 4.057 ( 2.318 3.456 3.295) 5.308 4.105 ( 3.055 -1.878 0.714) 3.657 4.232 ( -0.783 3.556 -1.770) 4.048 4.279 ( -0.097 -0.109 -1.686) 1.692 4.305 ( 2.879 5.462 -0.573) 6.201 4.389 ( 2.547 -5.912 -0.991) 6.513 4.439 ( -0.484 0.265 5.786) 5.812 4.479 ( -0.771 -3.199 0.816) 3.391 4.690 ( -9.886 3.547 2.591) 10.818 4.759 ( -1.818 10.016 3.429) 10.742 4.804 ( -5.175 -5.245 -1.723) 7.567 4.937 ( -0.133 1.263 0.120) 1.276 4.967 ( -2.916 4.367 -1.557) 5.477 5.033 ( -2.853 -10.029 3.087) 10.874 5.144 ( -3.432 5.722 -3.097) 7.356 5.179 ( -0.809 -5.013 3.277) 6.043 5.187 ( 2.038 -5.656 3.418) 6.916 5.297 ( -9.198 -10.012 -3.736) 14.100 5.577 ( -1.387 3.005 2.661) 4.247 5.655 ( -0.227 -4.845 1.955) 5.230 5.773 ( 4.263 0.921 6.989) 8.238 5.804 ( 1.988 -2.264 8.064) 8.608 5.930 ( -2.039 0.573 3.740) 4.298 5.946 ( -4.464 -0.052 1.007) 4.577 6.155 ( -5.735 8.868 4.583) 11.512 6.191 ( -1.209 2.362 6.391) 6.920 6.237 ( -6.952 -0.903 5.717) 9.046 6.283 ( -1.955 -2.106 6.672) 7.264 6.321 ( 6.861 1.251 -2.693) 7.476 6.360 ( 5.613 -2.812 -2.612) 6.799 6.421 ( 0.835 4.372 4.874) 6.600 6.494 ( 3.380 -3.701 2.928) 5.805 6.640 ( 0.184 4.014 -0.818) 4.101 6.753 ( -0.055 -5.154 -1.366) 5.332 6.827 ( -4.269 3.289 -5.943) 8.022 6.890 ( -2.438 -3.352 -6.581) 7.777 6.961 ( -0.287 1.349 -3.525) 3.785 7.003 ( 1.814 -2.050 -7.349) 7.842 7.206 ( -0.962 -1.436 5.894) 6.142 7.228 ( -0.184 -3.048 4.345) 5.311 7.387 ( -0.417 5.234 -1.529) 5.469 7.446 ( 1.884 2.174 2.541) 3.839 7.465 ( 1.510 1.220 4.513) 4.913 7.556 ( 2.155 -6.019 4.871) 8.037 7.651 ( 3.672 7.833 -0.159) 8.652 7.730 ( 1.623 1.426 1.544) 2.655 7.838 ( 4.368 -1.178 -3.010) 5.434 7.921 ( 4.926 -7.147 -1.182) 8.760 8.056 ( 0.321 4.382 -5.992) 7.430 8.108 ( -2.105 -0.635 -5.011) 5.473 8.254 ( 1.401 6.443 2.638) 7.102 8.321 ( 0.985 1.586 1.435) 2.355 8.397 ( -1.880 -1.589 2.931) 3.827 8.486 ( -3.985 -7.090 4.524) 9.307 8.947 ( 4.057 2.867 -1.833) 5.295 8.997 ( 5.610 -2.009 -1.132) 6.066 9.061 ( -0.285 3.098 0.040) 3.111 9.148 ( 0.712 -4.575 1.586) 4.894 9.549 ( 1.355 3.298 0.095) 3.566 9.623 ( 2.105 -3.926 -4.984) 6.685 9.812 ( -3.455 5.345 -5.255) 8.254 9.873 ( -0.972 0.759 -1.357) 1.834 9.920 ( 1.052 2.639 0.665) 2.918 9.995 ( 1.014 -2.216 1.797) 3.028 10.125 ( 0.282 2.475 0.514) 2.544 10.204 ( 1.421 -4.598 1.330) 4.993 11.819 ( -0.055 1.564 -0.633) 1.688 11.840 ( -0.729 -0.445 -0.610) 1.049 11.917 ( -1.451 0.415 -0.090) 1.512 11.937 ( -0.976 -1.459 -0.425) 1.806 13.932 ( 2.442 3.174 3.964) 5.635 14.008 ( 5.735 -5.020 2.688) 8.082 14.188 ( 0.431 -0.087 0.476) 0.647 14.209 ( -1.263 -2.454 1.110) 2.975 14.502 ( 1.123 3.486 0.426) 3.687 14.575 ( -1.128 -3.512 -2.416) 4.410 14.592 ( 0.781 3.372 1.955) 3.975 14.663 ( -1.734 -3.321 -1.346) 3.981 14.774 ( 0.433 3.006 -1.088) 3.226 14.811 ( 1.183 1.005 -1.590) 2.222 14.846 ( -0.030 0.399 -2.043) 2.082 14.922 ( 0.135 -5.579 -1.752) 5.849 14.964 ( -0.361 4.973 -2.513) 5.584 15.044 ( -0.504 -3.473 -1.409) 3.781 15.255 ( -2.251 1.234 1.084) 2.786 15.275 ( -2.289 -0.772 1.251) 2.721 15.561 ( -1.200 2.434 1.590) 3.145 15.624 ( -0.092 -3.995 1.765) 4.368 15.823 ( 1.787 2.105 -4.466) 5.251 15.865 ( 3.277 -2.284 -4.820) 6.260 16.238 ( -0.505 7.222 -5.187) 8.906 16.332 ( -2.320 -2.717 -6.017) 6.998 16.734 ( 0.597 1.555 5.652) 5.892 16.765 ( 0.669 -1.473 3.879) 4.203 17.121 ( -2.237 1.572 2.900) 3.986 17.143 ( -2.531 -0.222 3.318) 4.179 17.222 ( 0.109 0.638 1.332) 1.481 17.248 ( 0.628 -0.607 -0.206) 0.897 17.367 ( -0.183 1.145 -2.271) 2.550 17.406 ( 1.790 -1.415 -3.269) 3.986 17.492 ( -0.058 7.138 -4.686) 8.539 17.642 ( 0.474 -8.189 -5.274) 9.752 17.875 ( 1.118 7.455 2.460) 7.930 18.012 ( 1.728 -6.445 2.056) 6.982 18.213 ( -4.078 4.844 6.542) 9.104 18.315 ( -5.084 -5.261 7.422) 10.421 18.685 ( 3.100 5.283 0.303) 6.133 18.760 ( 4.659 -2.191 1.053) 5.255 19.028 ( -8.049 4.933 -3.853) 10.196 19.121 ( -6.189 -4.292 -4.006) 8.530 19.543 ( 3.309 1.621 1.412) 3.946 19.577 ( 3.141 -1.865 1.407) 3.914 19.783 ( -1.539 1.437 0.648) 2.203 19.814 ( -1.711 -1.699 0.163) 2.417 20.039 ( 1.679 0.997 0.614) 2.047 20.076 ( 1.256 -2.929 -0.345) 3.206 20.242 ( -2.019 0.662 2.081) 2.974 20.249 ( -2.769 -0.049 1.954) 3.389 20.830 ( -2.877 5.259 -1.660) 6.220 20.943 ( -3.337 -6.531 -2.153) 7.644 21.440 ( -2.004 2.171 -1.460) 3.295 21.470 ( -2.175 -0.993 -2.142) 3.210 21.698 ( 1.473 0.380 1.355) 2.037 21.711 ( 0.929 -1.061 1.412) 1.996 21.942 ( 1.414 2.235 0.025) 2.645 21.974 ( 0.632 -0.807 -0.275) 1.061 22.325 ( 4.078 2.495 0.431) 4.800 22.355 ( 2.182 -0.121 0.511) 2.244 22.626 ( 4.092 0.628 0.072) 4.141 22.686 ( 2.635 -5.335 0.547) 5.975 ======================= Grid point 105 (60/78) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -5.114 12.898 -8.284) 16.160 1.727 ( 7.289 6.146 -0.248) 9.538 1.751 ( 1.927 5.269 -13.037) 14.193 1.852 ( -0.275 -2.942 0.117) 2.957 1.870 ( 5.890 4.703 -8.882) 11.650 2.008 ( -5.420 -2.477 -6.900) 9.117 2.024 ( 1.895 -3.616 1.157) 4.243 2.068 ( 0.805 -2.082 3.036) 3.769 2.104 ( -6.109 1.375 1.322) 6.399 2.206 ( -0.583 -7.268 -1.404) 7.425 2.354 ( -2.562 1.273 0.621) 2.928 2.471 ( -2.754 -9.456 -2.466) 10.153 2.507 ( 1.225 9.753 -2.800) 10.220 2.601 ( 5.940 -1.084 1.376) 6.193 2.638 ( -3.778 3.634 -2.674) 5.884 2.698 ( 3.586 6.827 -2.342) 8.059 2.709 ( -1.449 -0.890 -4.822) 5.113 2.783 ( -3.392 7.323 -0.677) 8.099 2.899 ( 1.335 1.921 -2.725) 3.592 2.922 ( -4.054 -6.330 7.161) 10.382 2.940 ( -2.320 0.205 -3.942) 4.579 3.038 ( -0.414 -4.432 -1.764) 4.788 3.134 ( 3.256 5.849 0.745) 6.736 3.202 ( -0.091 -6.703 4.910) 8.310 3.221 ( 0.597 -3.296 7.121) 7.870 3.263 ( 1.032 -6.909 0.417) 6.998 3.398 ( -1.622 1.609 -0.105) 2.287 3.423 ( 2.241 0.809 7.215) 7.598 3.488 ( -1.072 1.673 -6.331) 6.635 3.552 ( 0.786 -2.086 -2.384) 3.264 3.570 ( -3.152 1.169 -6.052) 6.923 3.619 ( -0.681 -0.626 -4.214) 4.314 3.651 ( 4.922 0.836 -2.455) 5.564 3.696 ( 2.128 -1.938 -4.500) 5.342 3.839 ( 0.739 2.877 -5.678) 6.408 3.871 ( -1.601 -1.718 -3.235) 3.998 3.909 ( 0.841 1.597 -2.474) 3.063 3.949 ( -1.679 -0.408 1.416) 2.234 4.072 ( 0.624 4.895 -3.673) 6.152 4.107 ( 1.881 1.124 -6.304) 6.674 4.210 ( -1.091 -0.439 2.141) 2.443 4.233 ( -4.075 -1.100 0.712) 4.280 4.379 ( 7.383 4.946 0.307) 8.892 4.394 ( -1.280 2.738 -0.925) 3.161 4.490 ( 5.734 0.485 3.653) 6.817 4.573 ( 0.572 -4.321 2.625) 5.088 4.655 ( 0.269 2.265 5.467) 5.923 4.737 ( -2.928 -5.028 1.220) 5.945 4.783 ( 1.839 4.844 0.905) 5.260 4.865 ( -2.408 2.970 -6.059) 7.164 4.913 ( 0.089 1.407 -1.501) 2.059 4.964 ( -0.515 -2.591 -0.069) 2.642 5.088 ( -1.402 -2.744 -0.763) 3.174 5.115 ( -4.177 -5.825 -2.911) 7.736 5.273 ( 1.746 -3.043 4.374) 5.608 5.320 ( 3.634 -7.804 2.746) 9.036 5.596 ( -1.123 2.770 2.981) 4.222 5.683 ( 0.884 -5.433 1.376) 5.674 5.858 ( -2.596 4.774 2.484) 5.975 5.905 ( -1.595 -0.329 1.315) 2.093 5.955 ( 1.304 3.410 7.533) 8.372 6.032 ( 1.538 -4.497 9.506) 10.628 6.088 ( -7.646 6.164 4.087) 10.637 6.157 ( -8.387 -1.259 4.152) 9.443 6.273 ( -1.290 2.836 3.881) 4.977 6.323 ( -1.658 -1.304 3.170) 3.808 6.386 ( 4.094 0.042 -3.016) 5.085 6.404 ( 6.114 -0.569 -0.648) 6.174 6.525 ( -2.053 -1.036 2.283) 3.240 6.558 ( 3.293 -1.392 3.581) 5.060 6.665 ( 2.124 0.405 -4.416) 4.917 6.704 ( 2.895 -2.072 -1.981) 4.074 6.770 ( -1.675 1.022 0.207) 1.973 6.818 ( 0.875 -2.660 -0.913) 2.946 6.940 ( 3.251 -0.354 -2.989) 4.430 6.957 ( 2.178 -3.255 -2.787) 4.806 7.227 ( -3.409 -0.074 1.607) 3.770 7.244 ( -1.669 -1.180 0.963) 2.259 7.382 ( -1.291 7.089 3.162) 7.869 7.472 ( 1.708 -0.772 -0.370) 1.911 7.583 ( 1.477 3.102 6.188) 7.078 7.650 ( 0.866 -4.196 5.092) 6.655 7.685 ( 1.204 5.051 -1.462) 5.395 7.772 ( 0.623 -2.573 -0.389) 2.675 7.858 ( -1.194 5.482 -0.840) 5.673 7.927 ( -4.021 -0.272 -0.394) 4.050 7.983 ( 0.763 -0.226 -6.625) 6.673 8.038 ( 7.389 -4.955 -3.909) 9.718 8.281 ( -2.543 7.503 1.818) 8.128 8.318 ( -1.043 5.577 0.068) 5.674 8.425 ( -3.637 -4.810 5.263) 8.004 8.500 ( -0.407 -9.696 3.285) 10.245 8.976 ( 2.186 7.426 -1.470) 7.880 9.014 ( 1.199 4.356 -2.592) 5.209 9.089 ( 2.611 -3.059 1.442) 4.273 9.179 ( 1.551 -8.549 -0.860) 8.731 9.507 ( -5.980 1.219 -0.625) 6.135 9.537 ( -3.864 -1.481 -4.382) 6.027 9.685 ( 0.044 6.009 -5.474) 8.129 9.782 ( 0.922 -4.482 -7.974) 9.194 9.969 ( -0.268 7.394 5.718) 9.351 10.084 ( 0.473 -4.605 5.578) 7.249 10.136 ( 1.734 4.664 -1.735) 5.269 10.222 ( -0.151 -3.991 -0.870) 4.087 11.823 ( 0.799 1.229 -0.091) 1.469 11.830 ( 0.125 0.576 -0.381) 0.702 11.904 ( -0.309 0.134 0.187) 0.385 11.920 ( -0.362 -1.353 -0.577) 1.514 13.995 ( -2.368 3.242 5.141) 6.523 14.079 ( -1.733 -5.763 2.657) 6.578 14.208 ( 0.963 0.600 0.211) 1.154 14.238 ( 3.115 -2.379 0.095) 3.921 14.461 ( -2.835 1.115 -1.410) 3.357 14.474 ( -2.719 -0.311 -2.477) 3.692 14.670 ( 1.286 0.622 2.581) 2.950 14.693 ( 2.193 -1.630 3.184) 4.196 14.760 ( -0.336 2.982 -1.301) 3.271 14.816 ( 0.123 -2.848 -2.136) 3.562 14.826 ( 1.661 3.215 -2.425) 4.356 14.883 ( 0.797 -2.022 -3.583) 4.190 15.005 ( 4.394 1.621 1.882) 5.048 15.050 ( 3.169 -2.221 -0.643) 3.923 15.220 ( -2.573 1.059 -0.323) 2.801 15.240 ( -2.255 -0.838 -0.806) 2.537 15.558 ( -1.187 3.755 2.200) 4.511 15.644 ( -0.986 -5.245 2.645) 5.956 15.757 ( 0.432 3.501 -6.926) 7.773 15.829 ( 2.195 -4.008 -6.345) 7.820 16.201 ( 1.560 3.860 -2.157) 4.689 16.228 ( -2.625 0.852 -4.007) 4.866 16.797 ( -1.244 0.590 3.923) 4.158 16.812 ( -0.644 -0.970 2.896) 3.121 17.114 ( -2.051 1.383 2.231) 3.331 17.133 ( -3.166 -0.108 2.740) 4.189 17.258 ( 0.410 1.029 1.301) 1.708 17.265 ( 1.217 2.998 0.886) 3.354 17.343 ( -0.156 -0.798 -1.385) 1.607 17.404 ( 2.548 -3.524 -1.285) 4.535 17.431 ( 0.621 5.621 -4.513) 7.235 17.565 ( 0.321 -7.085 -6.475) 9.604 17.963 ( 2.364 8.988 4.922) 10.517 18.041 ( -2.628 2.544 1.679) 4.025 18.272 ( 2.694 -3.598 5.068) 6.774 18.304 ( -4.535 -5.310 3.847) 7.973 18.735 ( 2.009 5.786 1.526) 6.312 18.835 ( -0.398 -4.070 1.261) 4.280 18.870 ( -0.725 5.909 -4.512) 7.470 18.980 ( -2.859 -4.962 -5.360) 7.843 19.541 ( -2.296 0.403 -0.082) 2.332 19.554 ( -2.702 -0.979 -0.723) 2.964 19.828 ( 2.250 1.750 1.750) 3.345 19.853 ( 2.245 -0.932 0.602) 2.505 20.049 ( -0.623 1.040 0.164) 1.223 20.073 ( -0.901 -1.192 -0.955) 1.773 20.315 ( 4.445 1.438 6.183) 7.750 20.354 ( 4.969 -2.700 5.994) 8.241 20.750 ( -1.939 4.219 -2.927) 5.489 20.842 ( -2.829 -5.420 -5.382) 8.146 21.412 ( 0.339 1.213 -0.850) 1.520 21.427 ( 0.040 -0.439 -1.711) 1.767 21.733 ( -0.244 -0.110 1.266) 1.294 21.735 ( 0.342 -0.240 1.220) 1.290 21.959 ( 0.532 1.255 0.134) 1.370 21.973 ( 0.079 -0.107 -0.530) 0.547 22.366 ( -0.575 1.721 0.498) 1.882 22.372 ( 0.237 1.258 0.242) 1.303 22.673 ( 1.188 -1.669 0.614) 2.138 22.695 ( -1.243 -3.630 -0.372) 3.855 ======================= Grid point 106 (61/78) ======================= q-point: (-0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -10.460 16.817 -0.146) 19.805 1.578 ( -9.780 5.347 -2.931) 11.525 1.680 ( -10.204 -3.162 -0.407) 10.691 1.713 ( -6.932 2.422 -9.769) 12.221 1.833 ( 3.462 -3.006 -4.356) 6.324 1.962 ( -8.078 -3.331 3.642) 9.466 2.020 ( 2.904 -0.659 2.457) 3.861 2.047 ( -2.658 -1.929 1.819) 3.754 2.177 ( 3.150 3.423 -0.933) 4.745 2.263 ( 7.004 -1.970 2.382) 7.656 2.288 ( -5.189 2.148 -0.970) 5.700 2.332 ( -3.182 -3.269 -3.034) 5.479 2.524 ( -1.380 2.114 -6.710) 7.169 2.581 ( -3.079 -0.822 -4.407) 5.438 2.632 ( 1.220 8.987 1.734) 9.234 2.651 ( -0.468 5.191 -0.035) 5.212 2.774 ( -2.892 2.951 2.679) 4.925 2.802 ( 7.424 -0.925 -1.110) 7.564 2.864 ( 1.366 1.741 5.834) 6.240 2.875 ( -2.742 -1.319 2.477) 3.923 2.936 ( 2.928 0.098 -0.694) 3.011 3.049 ( 2.204 -9.220 0.553) 9.496 3.196 ( -4.482 0.725 -3.931) 6.006 3.236 ( -0.891 0.738 4.653) 4.795 3.269 ( -1.007 -0.210 1.281) 1.642 3.318 ( -0.535 -4.990 4.407) 6.679 3.380 ( 3.435 1.653 1.205) 3.998 3.443 ( 3.696 -1.249 0.836) 3.990 3.467 ( 0.509 -1.966 -2.242) 3.025 3.506 ( 0.859 -5.836 -4.645) 7.509 3.551 ( -0.214 2.275 2.552) 3.426 3.600 ( 1.061 -2.278 -2.440) 3.503 3.657 ( 1.155 0.325 -2.546) 2.814 3.680 ( 1.138 -3.392 -4.025) 5.385 3.735 ( -2.211 2.239 -3.929) 5.034 3.759 ( -0.715 -0.517 -2.169) 2.342 3.933 ( -0.964 3.174 1.832) 3.789 3.973 ( -1.200 0.353 -0.153) 1.260 4.034 ( 2.030 4.823 -1.868) 5.557 4.089 ( 4.836 0.104 -1.088) 4.958 4.195 ( -2.609 2.496 1.041) 3.758 4.224 ( -1.252 -0.379 1.235) 1.799 4.356 ( -1.874 5.350 -1.762) 5.936 4.461 ( -2.322 -4.497 -3.733) 6.288 4.571 ( 9.104 4.142 -0.338) 10.008 4.639 ( 5.557 -3.179 3.220) 7.166 4.770 ( 4.191 0.157 2.119) 4.699 4.778 ( 5.572 -0.467 -0.576) 5.621 4.826 ( 5.408 2.144 -1.730) 6.070 4.845 ( 5.465 5.482 -1.518) 7.889 4.933 ( 0.665 1.721 -1.179) 2.190 4.973 ( 5.663 -5.023 2.247) 7.896 5.092 ( 2.078 -1.522 2.289) 3.446 5.124 ( 4.920 -4.311 1.860) 6.801 5.314 ( -1.069 -4.771 0.571) 4.923 5.343 ( -0.106 -7.826 -2.679) 8.272 5.643 ( 0.302 2.240 4.247) 4.811 5.681 ( 0.354 -1.281 -2.971) 3.255 5.868 ( -2.265 3.870 2.916) 5.348 5.906 ( 0.681 0.016 2.546) 2.635 6.036 ( -4.134 6.064 3.266) 8.033 6.060 ( -3.347 0.845 2.870) 4.489 6.077 ( -2.063 -0.023 2.367) 3.140 6.146 ( -3.469 -4.735 6.131) 8.488 6.288 ( 1.380 0.355 -2.547) 2.918 6.295 ( 0.202 2.348 1.359) 2.720 6.436 ( -1.306 1.183 4.450) 4.786 6.461 ( -0.533 -2.604 1.570) 3.087 6.516 ( -3.119 -0.756 3.054) 4.430 6.573 ( 3.356 -5.458 -5.977) 8.762 6.645 ( -0.090 -1.040 -6.579) 6.662 6.661 ( -0.417 -2.585 -2.283) 3.474 6.773 ( 1.150 4.260 -1.579) 4.687 6.834 ( 2.594 -2.399 -2.153) 4.138 6.965 ( 3.797 -0.570 -1.747) 4.219 6.997 ( 5.303 -3.357 -2.489) 6.752 7.206 ( -2.020 2.818 3.647) 5.032 7.253 ( -0.158 -1.965 3.196) 3.755 7.393 ( -3.764 7.135 3.451) 8.774 7.479 ( -0.396 -0.737 -1.213) 1.473 7.637 ( -2.516 1.567 1.016) 3.133 7.644 ( -1.991 3.096 -3.715) 5.230 7.681 ( -4.900 1.481 -0.228) 5.124 7.734 ( -2.627 -2.323 2.274) 4.180 7.753 ( -2.323 -1.055 -2.524) 3.589 7.821 ( -7.996 -5.140 0.092) 9.506 8.013 ( 6.253 5.891 -3.795) 9.392 8.100 ( 4.825 -3.022 -3.225) 6.543 8.269 ( -2.225 5.811 3.390) 7.085 8.319 ( 0.821 7.347 0.863) 7.443 8.428 ( -4.411 -5.158 5.672) 8.845 8.546 ( 0.724 -10.483 1.702) 10.645 8.912 ( -3.530 10.508 -4.606) 12.004 9.049 ( 4.929 4.079 -1.303) 6.529 9.081 ( -4.683 -4.321 -4.395) 7.741 9.163 ( 1.056 -7.080 -0.478) 7.174 9.456 ( -3.002 2.058 5.296) 6.426 9.505 ( -0.631 -3.366 7.422) 8.174 9.659 ( 2.350 3.252 -1.952) 4.462 9.722 ( 3.171 -3.570 -5.845) 7.548 10.036 ( -1.067 7.833 4.079) 8.896 10.097 ( 0.228 5.256 -2.360) 5.766 10.168 ( -0.503 -5.523 1.709) 5.803 10.179 ( -0.569 -2.967 -2.162) 3.715 11.823 ( -0.184 1.452 -0.635) 1.595 11.832 ( 0.590 0.623 -0.469) 0.978 11.912 ( 0.517 -0.556 0.573) 0.951 11.913 ( 0.344 -0.809 -0.232) 0.910 13.994 ( -6.624 0.441 4.697) 8.132 14.035 ( -6.801 -3.502 0.975) 7.711 14.210 ( 0.755 2.173 -1.568) 2.784 14.269 ( 2.204 -3.972 -1.818) 4.893 14.446 ( 0.557 0.682 2.095) 2.273 14.458 ( 1.229 -0.486 1.831) 2.257 14.712 ( -0.586 1.468 0.731) 1.741 14.721 ( -1.565 1.418 -2.763) 3.478 14.743 ( -0.088 -0.315 2.098) 2.124 14.780 ( -1.176 -2.626 -0.494) 2.919 14.808 ( 1.143 2.701 -2.492) 3.848 14.861 ( 1.552 -2.484 -3.035) 4.218 15.032 ( -0.986 0.741 -3.463) 3.676 15.047 ( -0.034 -0.598 -3.906) 3.951 15.231 ( 2.605 1.416 2.332) 3.772 15.256 ( 4.249 -1.006 1.749) 4.703 15.609 ( 0.977 3.088 5.307) 6.217 15.659 ( 0.247 0.868 -1.085) 1.411 15.693 ( 0.449 0.132 -0.838) 0.960 15.774 ( 1.366 -5.437 -6.067) 8.261 16.145 ( -3.291 5.474 -1.157) 6.491 16.213 ( 1.466 -1.554 0.347) 2.164 16.798 ( -3.396 0.607 1.828) 3.904 16.816 ( -2.784 -1.237 1.483) 3.389 17.128 ( -0.861 1.616 2.894) 3.424 17.144 ( -0.418 0.594 3.609) 3.681 17.246 ( -2.078 3.138 0.497) 3.796 17.297 ( 0.366 -1.904 -0.968) 2.167 17.320 ( 0.424 3.023 -1.224) 3.289 17.409 ( 4.463 4.714 -3.577) 7.412 17.422 ( -1.445 -5.844 -0.394) 6.033 17.518 ( 3.058 -5.844 -2.137) 6.934 17.949 ( -5.536 7.126 -0.116) 9.025 18.058 ( -2.262 -1.836 1.366) 3.218 18.319 ( 4.877 4.221 2.554) 6.937 18.423 ( 5.742 -4.881 2.822) 8.048 18.750 ( -1.106 7.236 -1.975) 7.582 18.823 ( 3.627 5.142 4.742) 7.879 18.886 ( 1.101 -4.790 -4.650) 6.766 18.941 ( 4.011 -5.038 1.945) 6.728 19.517 ( -2.185 0.385 2.297) 3.194 19.527 ( -1.605 -0.573 1.473) 2.253 19.853 ( 0.277 1.091 -1.450) 1.835 19.868 ( 0.831 -0.274 -1.542) 1.773 20.037 ( -1.815 0.293 1.083) 2.134 20.041 ( -1.594 -0.163 0.048) 1.603 20.429 ( 1.553 0.552 -4.721) 5.001 20.445 ( 3.919 -1.113 -1.396) 4.306 20.754 ( 1.161 -0.074 -1.877) 2.208 20.777 ( 4.746 -2.231 4.558) 6.948 21.425 ( 2.085 0.415 -0.784) 2.266 21.427 ( 2.271 0.235 -0.377) 2.314 21.724 ( -2.006 0.734 0.240) 2.150 21.742 ( -1.099 -1.186 0.219) 1.632 21.955 ( -0.606 1.584 -0.353) 1.733 21.972 ( 0.267 -0.072 -0.252) 0.375 22.327 ( -4.606 2.777 0.439) 5.396 22.364 ( -2.268 -0.458 0.314) 2.335 22.638 ( -4.365 -0.260 -0.411) 4.392 22.688 ( -1.489 -5.383 0.623) 5.620 ======================= Grid point 107 (62/78) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -12.977 17.244 8.696) 23.267 1.342 ( -14.469 12.576 3.552) 19.497 1.489 ( -11.164 -3.388 0.608) 11.682 1.601 ( -4.506 -10.833 2.064) 11.913 1.818 ( -3.777 2.055 3.229) 5.377 1.907 ( -7.546 -5.592 2.982) 9.854 1.985 ( -7.966 4.752 3.658) 9.971 2.070 ( 0.733 -2.566 3.158) 4.134 2.135 ( -3.643 5.417 -1.483) 6.694 2.232 ( -5.720 -4.373 -0.852) 7.250 2.298 ( 1.763 5.186 0.745) 5.528 2.308 ( -2.611 5.215 2.539) 6.361 2.474 ( 4.970 1.018 -0.613) 5.110 2.565 ( 5.338 -2.774 3.185) 6.807 2.656 ( 1.975 10.684 1.759) 11.007 2.691 ( -4.835 7.951 4.099) 10.168 2.792 ( -0.022 -1.962 2.196) 2.945 2.815 ( 3.911 6.707 4.801) 9.128 2.961 ( 1.699 -3.508 -0.036) 3.898 2.998 ( 6.654 1.750 3.250) 7.609 3.067 ( 4.480 -5.118 1.422) 6.949 3.083 ( 4.401 -6.696 1.114) 8.089 3.136 ( 1.213 1.197 -0.239) 1.721 3.206 ( 2.410 -3.038 -2.102) 4.411 3.300 ( -1.515 -1.046 1.295) 2.251 3.334 ( -1.099 -1.992 -5.488) 5.940 3.371 ( 2.397 -0.786 -8.341) 8.714 3.387 ( -4.880 -13.668 3.788) 14.999 3.457 ( 1.938 -0.107 -5.012) 5.375 3.509 ( -0.927 -3.740 -1.809) 4.257 3.545 ( -2.191 1.411 -1.275) 2.902 3.602 ( 0.193 -0.520 0.773) 0.951 3.625 ( 1.419 1.643 2.285) 3.152 3.687 ( -1.194 -0.415 1.286) 1.803 3.720 ( 2.383 0.994 3.180) 4.096 3.775 ( -0.641 -1.756 1.739) 2.553 3.903 ( -2.010 3.156 0.774) 3.821 3.981 ( -0.767 -2.463 0.643) 2.659 4.087 ( 2.558 5.380 0.423) 5.972 4.125 ( -1.749 0.398 -2.393) 2.990 4.160 ( -0.880 4.814 1.619) 5.154 4.213 ( -0.177 0.091 0.777) 0.802 4.290 ( -3.186 3.671 -1.597) 5.116 4.359 ( -2.781 -2.810 -1.762) 4.328 4.719 ( 8.063 -0.929 -6.102) 10.154 4.738 ( 9.361 -2.825 -2.657) 10.133 4.813 ( 5.626 -2.224 -3.334) 6.908 4.843 ( 4.778 -3.481 -0.052) 5.912 4.934 ( 4.054 9.677 0.315) 10.497 4.950 ( 9.671 10.054 -0.943) 13.982 4.977 ( 4.356 6.391 1.088) 7.810 5.117 ( 8.854 -5.202 2.365) 10.538 5.168 ( 1.775 -0.016 1.274) 2.185 5.262 ( -1.179 -11.049 -2.096) 11.308 5.286 ( 2.691 -6.711 -4.321) 8.423 5.318 ( 8.046 -7.836 6.248) 12.852 5.634 ( 0.298 2.313 -3.305) 4.044 5.687 ( 1.968 -2.785 -0.217) 3.417 5.887 ( -4.932 2.941 -6.775) 8.881 5.895 ( -0.189 3.522 2.365) 4.247 5.989 ( -1.493 0.955 1.089) 2.080 6.027 ( -5.067 -2.460 -3.670) 6.722 6.057 ( -1.607 3.697 5.066) 6.474 6.146 ( -3.001 -5.620 4.155) 7.606 6.300 ( -1.656 6.028 -2.418) 6.703 6.336 ( 3.659 6.299 0.627) 7.312 6.382 ( -3.834 1.459 -2.322) 4.714 6.456 ( -2.442 -2.827 -1.861) 4.174 6.487 ( -3.472 -0.346 0.163) 3.493 6.528 ( -1.194 -3.737 -0.023) 3.923 6.625 ( 4.376 -0.278 -3.366) 5.528 6.665 ( 3.524 -4.888 3.088) 6.771 6.783 ( 3.843 3.780 -0.538) 5.417 6.855 ( 4.710 -3.561 -1.869) 6.194 6.994 ( 2.388 -0.145 -0.898) 2.556 7.025 ( 3.529 -3.058 -3.500) 5.835 7.237 ( -1.631 1.987 2.669) 3.706 7.276 ( -1.186 -2.818 0.318) 3.073 7.377 ( -3.749 5.813 3.604) 7.799 7.413 ( -3.601 3.224 -2.126) 5.280 7.520 ( -6.664 1.125 -1.435) 6.909 7.542 ( -4.988 1.031 -3.219) 6.025 7.630 ( -5.609 -0.218 4.145) 6.978 7.679 ( -3.622 -4.815 -2.805) 6.646 7.746 ( -0.361 -2.479 1.620) 2.983 7.755 ( -0.342 -3.225 -0.910) 3.368 8.018 ( 0.417 6.585 -2.424) 7.029 8.102 ( -0.181 -2.159 -1.292) 2.523 8.300 ( -0.614 4.346 1.244) 4.562 8.314 ( -0.253 8.131 -1.712) 8.313 8.435 ( -2.339 -2.389 2.028) 3.911 8.552 ( -0.959 -9.597 0.942) 9.690 8.809 ( -4.312 7.369 -0.280) 8.542 8.944 ( -4.836 -6.215 -2.535) 8.273 9.105 ( 4.661 4.639 -2.138) 6.915 9.181 ( 1.577 -3.265 -0.541) 3.666 9.503 ( -2.635 3.357 3.664) 5.625 9.578 ( -2.278 -4.896 1.859) 5.711 9.730 ( 4.126 0.537 5.581) 6.962 9.754 ( 5.000 -1.994 2.801) 6.068 10.004 ( -1.325 6.120 -3.879) 7.366 10.054 ( -2.160 2.894 -4.268) 5.591 10.138 ( 0.770 -0.261 -0.725) 1.089 10.186 ( -2.050 -4.385 1.111) 4.967 11.813 ( -0.051 1.912 -0.186) 1.921 11.836 ( 0.601 -0.402 0.337) 0.798 11.925 ( 0.903 -0.294 0.628) 1.138 11.933 ( 0.835 -0.869 0.997) 1.564 13.904 ( -9.388 -1.541 0.847) 9.551 13.919 ( -8.108 -2.695 -0.377) 8.553 14.204 ( 0.790 2.699 -1.032) 2.996 14.273 ( 1.343 -4.508 -1.456) 4.924 14.491 ( 0.057 2.231 1.018) 2.453 14.529 ( 1.567 -1.493 3.055) 3.744 14.655 ( -1.013 1.023 -3.263) 3.566 14.662 ( -0.215 -0.070 -2.051) 2.064 14.740 ( -1.626 1.575 0.774) 2.392 14.777 ( -1.095 -2.056 0.791) 2.460 14.815 ( 1.523 1.950 1.112) 2.713 14.861 ( 0.478 -1.817 1.113) 2.184 14.978 ( 1.144 2.602 -2.287) 3.648 15.038 ( 2.556 -3.376 0.365) 4.251 15.295 ( 2.625 2.889 0.589) 3.948 15.338 ( 3.821 -1.467 -0.318) 4.105 15.640 ( 1.399 2.725 -2.909) 4.224 15.688 ( -0.875 -0.253 1.808) 2.025 15.708 ( 0.161 -1.034 -2.060) 2.311 15.731 ( -0.221 -1.364 3.186) 3.473 16.121 ( -1.000 8.446 3.830) 9.328 16.262 ( 2.272 -6.142 3.048) 7.223 16.749 ( -4.454 0.941 0.217) 4.557 16.772 ( -4.082 -1.262 0.402) 4.291 17.160 ( -0.370 2.495 2.359) 3.454 17.201 ( -1.323 -0.334 4.804) 4.994 17.224 ( -0.146 3.675 0.768) 3.757 17.282 ( -0.030 -1.321 -1.348) 1.888 17.299 ( 0.540 1.077 -2.249) 2.552 17.368 ( 0.840 -4.349 -4.737) 6.485 17.464 ( 3.273 4.806 1.237) 5.945 17.573 ( 2.385 -6.268 2.169) 7.048 17.870 ( -3.379 5.306 -0.561) 6.315 17.989 ( -4.817 -6.837 -0.944) 8.416 18.430 ( 4.618 4.340 -1.215) 6.453 18.483 ( 0.701 -1.494 -0.737) 1.807 18.742 ( 6.044 8.646 -6.437) 12.358 18.825 ( 1.626 0.128 -6.474) 6.676 19.025 ( 9.002 2.012 7.466) 11.867 19.099 ( 7.985 -4.595 7.609) 11.948 19.509 ( -3.663 0.868 -0.130) 3.766 19.524 ( -3.050 -0.652 2.202) 3.818 19.825 ( 0.850 1.171 -1.335) 1.969 19.851 ( 1.207 -1.402 -1.180) 2.194 20.033 ( -0.048 0.072 0.895) 0.899 20.043 ( 0.523 -0.873 1.262) 1.621 20.355 ( 0.620 1.003 -5.822) 5.940 20.379 ( 0.554 -1.407 -7.249) 7.405 20.837 ( 5.080 4.987 2.815) 7.655 20.939 ( 6.037 -5.570 4.257) 9.252 21.462 ( 3.592 1.317 0.038) 3.826 21.479 ( 3.871 -0.350 0.788) 3.966 21.683 ( -2.842 1.064 -0.499) 3.076 21.708 ( -2.590 -1.732 -0.699) 3.193 21.940 ( -0.146 2.236 -0.853) 2.397 21.967 ( -0.405 -0.157 -0.395) 0.587 22.245 ( -6.553 3.531 0.599) 7.468 22.315 ( -4.299 -2.708 0.170) 5.084 22.550 ( -6.186 1.553 -0.368) 6.388 22.631 ( -6.540 -7.289 -0.325) 9.799 ======================= Grid point 108 (63/78) ======================= q-point: (-0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -12.557 14.091 8.636) 20.757 1.304 ( -8.461 0.995 5.612) 10.202 1.444 ( -6.994 7.378 13.656) 17.024 1.579 ( 1.770 -2.479 -2.065) 3.680 1.674 ( -8.536 3.971 -2.628) 9.774 1.863 ( -6.539 -10.625 6.976) 14.294 2.036 ( -0.261 2.666 13.666) 13.926 2.131 ( -0.492 -2.185 3.742) 4.361 2.149 ( -0.170 -0.103 5.609) 5.612 2.195 ( 2.466 -0.419 4.257) 4.937 2.374 ( 0.534 0.345 7.276) 7.304 2.408 ( 0.680 1.727 8.516) 8.716 2.540 ( -4.383 21.347 12.611) 25.178 2.616 ( 0.394 13.095 -3.111) 13.465 2.685 ( 3.788 -1.113 1.341) 4.169 2.768 ( 1.917 4.818 -3.183) 6.084 2.856 ( 1.568 -3.383 5.023) 6.256 2.934 ( 1.031 2.344 1.571) 3.004 2.966 ( 2.102 -3.525 -0.647) 4.154 3.045 ( 3.841 -0.425 -1.064) 4.009 3.074 ( 0.884 -0.783 -2.096) 2.406 3.125 ( -0.492 -3.404 4.811) 5.914 3.175 ( 3.735 -1.372 -9.485) 10.286 3.236 ( -4.878 0.649 -2.001) 5.312 3.252 ( 1.600 -0.597 2.936) 3.396 3.292 ( -1.380 -8.441 2.244) 8.843 3.342 ( -3.073 -8.817 1.948) 9.539 3.393 ( 1.554 -4.375 1.755) 4.963 3.462 ( 0.447 2.940 -1.256) 3.228 3.487 ( 7.136 2.129 0.489) 7.463 3.562 ( 2.705 -3.453 0.424) 4.406 3.613 ( 2.230 -6.194 1.164) 6.685 3.637 ( -2.162 2.889 1.444) 3.887 3.678 ( -2.534 -0.476 2.102) 3.327 3.753 ( -2.989 -0.845 -0.081) 3.107 3.783 ( -1.112 -4.342 -0.600) 4.522 3.882 ( -1.330 3.918 0.084) 4.139 3.967 ( 0.630 -2.144 -0.946) 2.427 4.018 ( -2.306 3.108 -3.787) 5.415 4.078 ( -0.600 -1.671 -2.309) 2.913 4.208 ( 0.319 4.213 -1.272) 4.412 4.242 ( -1.605 4.317 3.221) 5.621 4.254 ( 1.176 1.234 3.736) 4.107 4.322 ( -1.476 -3.955 0.078) 4.222 4.694 ( 5.926 5.403 -16.050) 17.942 4.799 ( 6.817 -4.653 -6.748) 10.661 4.835 ( 1.951 -0.841 -1.980) 2.904 4.877 ( 1.516 -1.536 -1.042) 2.397 4.923 ( -0.708 1.945 -5.955) 6.304 5.011 ( 2.889 4.680 -4.039) 6.824 5.052 ( -4.807 -0.063 -6.659) 8.213 5.133 ( 6.066 4.345 2.808) 7.972 5.214 ( 3.525 -3.067 -0.527) 4.702 5.310 ( 3.948 3.812 -7.234) 9.080 5.349 ( 7.303 -9.139 7.227) 13.751 5.494 ( 1.086 -10.764 -2.551) 11.115 5.633 ( 2.693 2.909 0.204) 3.969 5.668 ( -0.080 0.289 -0.379) 0.483 5.763 ( 0.799 -0.444 -2.673) 2.825 5.824 ( -2.908 -6.352 -0.937) 7.048 5.960 ( 1.225 2.825 0.784) 3.177 6.007 ( 0.007 -2.015 0.917) 2.214 6.113 ( -1.102 5.735 3.799) 6.967 6.178 ( -0.801 -1.088 0.991) 1.676 6.235 ( -1.440 4.029 0.344) 4.293 6.246 ( -3.707 4.454 -6.034) 8.366 6.318 ( -3.758 0.234 -4.645) 5.979 6.386 ( -0.725 -5.766 -6.272) 8.551 6.472 ( -0.083 3.277 1.605) 3.650 6.502 ( -0.185 -0.434 0.115) 0.486 6.679 ( 5.484 4.394 -0.315) 7.034 6.810 ( 5.494 -6.627 5.154) 10.033 6.881 ( 4.043 3.422 4.033) 6.658 6.933 ( 4.308 -0.179 0.884) 4.401 7.008 ( 0.317 -0.138 -0.060) 0.350 7.030 ( 2.461 -2.784 -1.625) 4.056 7.207 ( -2.946 -0.602 0.341) 3.026 7.242 ( -2.048 -3.398 -1.539) 4.256 7.361 ( -4.044 2.829 3.279) 5.925 7.390 ( 0.804 3.201 1.407) 3.588 7.415 ( -4.353 0.798 0.064) 4.426 7.444 ( -1.697 -0.221 -2.798) 3.280 7.598 ( -4.317 -1.421 0.802) 4.615 7.627 ( -3.697 -3.961 5.086) 7.431 7.737 ( 1.842 -0.085 -3.538) 3.990 7.764 ( 1.337 -2.123 0.115) 2.511 7.965 ( -2.483 6.387 -2.340) 7.241 8.054 ( -3.993 -2.340 -1.557) 4.883 8.273 ( 1.916 6.271 -1.206) 6.668 8.326 ( 1.540 2.183 0.804) 2.790 8.427 ( -1.103 2.994 0.955) 3.331 8.549 ( -3.213 -7.051 2.457) 8.129 8.759 ( -1.685 4.244 -1.214) 4.725 8.860 ( -3.861 -5.724 -1.130) 6.997 9.119 ( 2.408 4.189 -4.530) 6.623 9.160 ( -0.344 0.277 -4.927) 4.947 9.464 ( -5.207 0.032 0.551) 5.236 9.493 ( -6.003 -3.044 -1.984) 7.017 9.850 ( 1.171 3.265 0.156) 3.472 9.881 ( 1.789 0.626 4.669) 5.039 9.946 ( 1.301 1.326 0.728) 1.995 9.960 ( -0.894 -0.222 -5.262) 5.342 10.124 ( -1.183 0.961 -0.449) 1.589 10.173 ( 0.042 -3.681 0.281) 3.692 11.825 ( 0.698 2.261 1.321) 2.710 11.866 ( 1.268 -2.041 1.508) 2.837 11.952 ( 0.644 0.017 1.140) 1.310 11.966 ( 1.122 -1.334 1.511) 2.307 13.769 ( -7.483 0.809 0.497) 7.543 13.806 ( -4.601 -2.554 -0.669) 5.305 14.204 ( 0.548 2.300 -0.610) 2.442 14.269 ( 0.562 -4.478 -1.411) 4.729 14.452 ( -1.540 2.818 -2.475) 4.054 14.505 ( -2.171 -2.396 -3.094) 4.475 14.675 ( 2.399 2.850 2.435) 4.450 14.707 ( 2.311 0.349 2.490) 3.415 14.762 ( 1.044 1.480 3.317) 3.779 14.790 ( -0.447 -1.665 3.398) 3.810 14.857 ( 1.915 -0.942 1.233) 2.464 14.874 ( -1.582 -2.734 1.591) 3.537 15.015 ( 3.230 5.004 1.414) 6.122 15.101 ( 2.648 -4.360 1.124) 5.223 15.339 ( 2.635 1.635 -0.283) 3.114 15.375 ( 3.286 -1.935 -0.870) 3.911 15.604 ( -0.369 1.794 -3.298) 3.772 15.632 ( -0.806 -1.075 -1.950) 2.368 15.727 ( -2.025 0.381 0.739) 2.189 15.731 ( -2.475 0.204 0.717) 2.585 16.224 ( 2.503 7.125 8.508) 11.376 16.363 ( 2.902 -7.201 5.429) 9.474 16.675 ( -4.103 2.198 -0.971) 4.755 16.712 ( -3.517 -1.476 -0.348) 3.830 17.148 ( -2.092 1.694 -0.736) 2.791 17.192 ( -3.385 -2.838 -0.172) 4.420 17.245 ( 2.220 4.515 -3.235) 5.981 17.280 ( -0.189 3.312 4.490) 5.583 17.327 ( 0.630 -3.399 0.839) 3.557 17.340 ( 1.571 -2.626 -0.148) 3.064 17.528 ( 2.849 5.207 1.381) 6.094 17.631 ( 1.570 -5.617 1.765) 6.093 17.845 ( -0.697 2.311 1.812) 3.018 17.921 ( -2.804 -5.845 0.224) 6.486 18.423 ( 0.495 2.415 -4.844) 5.435 18.448 ( -1.183 -0.378 -3.804) 4.002 18.706 ( 3.817 6.009 -10.658) 12.817 18.748 ( 0.985 0.622 -8.086) 8.169 19.213 ( 3.124 3.294 1.334) 4.732 19.271 ( 1.474 -2.608 -0.068) 2.996 19.414 ( -3.941 0.954 -1.003) 4.177 19.434 ( -2.647 -0.878 -0.918) 2.936 19.864 ( 2.562 3.145 1.379) 4.285 19.919 ( 3.349 -2.154 2.013) 4.462 20.030 ( -0.081 0.289 -2.361) 2.380 20.056 ( -0.852 -2.731 -1.301) 3.143 20.387 ( 7.574 2.070 3.958) 8.793 20.443 ( 10.845 -3.660 5.940) 12.895 20.906 ( 1.274 6.501 -0.997) 6.700 21.037 ( 1.784 -7.123 0.311) 7.350 21.525 ( 2.763 1.750 0.772) 3.360 21.553 ( 2.633 -1.007 0.881) 2.953 21.641 ( -0.537 1.530 0.019) 1.621 21.668 ( -0.441 -1.416 -0.222) 1.500 21.931 ( 0.778 1.853 -1.232) 2.357 21.950 ( -0.873 0.412 -0.603) 1.138 22.155 ( -5.859 2.892 0.947) 6.602 22.238 ( -5.633 -4.786 -0.308) 7.398 22.451 ( -5.503 1.261 -0.118) 5.647 22.496 ( -7.981 -3.504 -0.736) 8.748 ======================= Grid point 125 (64/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 9.490 0.000 -16.563) 19.089 1.229 ( -9.490 0.000 16.563) 19.089 1.413 ( -10.808 0.000 3.237) 11.282 1.413 ( 10.808 0.000 -3.237) 11.282 1.630 ( 4.216 0.000 -16.900) 17.418 1.630 ( -4.216 0.000 16.900) 17.418 2.232 ( 3.800 0.000 -5.443) 6.638 2.232 ( -3.800 0.000 5.443) 6.638 2.385 ( 0.189 0.000 -6.733) 6.735 2.385 ( -0.189 0.000 6.733) 6.735 2.536 ( 1.327 0.000 -7.550) 7.666 2.536 ( -1.327 0.000 7.550) 7.666 2.659 ( -2.579 0.000 -2.295) 3.452 2.659 ( 2.579 0.000 2.295) 3.452 2.836 ( -1.107 0.000 -0.298) 1.147 2.836 ( 1.107 0.000 0.298) 1.147 2.849 ( -5.468 0.000 -12.777) 13.898 2.849 ( 5.468 0.000 12.777) 13.898 3.048 ( 3.584 0.000 -12.524) 13.026 3.048 ( -3.584 0.000 12.524) 13.026 3.093 ( -5.460 0.000 -5.213) 7.549 3.093 ( 5.460 0.000 5.213) 7.549 3.204 ( 0.071 0.000 -4.769) 4.770 3.204 ( -0.071 0.000 4.769) 4.770 3.283 ( 5.968 0.000 -6.643) 8.930 3.283 ( -5.968 0.000 6.643) 8.930 3.362 ( -2.261 0.000 -0.659) 2.355 3.362 ( 2.261 0.000 0.659) 2.355 3.444 ( -6.332 0.000 -3.342) 7.159 3.444 ( 6.332 0.000 3.342) 7.159 3.540 ( 0.877 0.000 -6.081) 6.144 3.540 ( -0.877 0.000 6.081) 6.144 3.637 ( -4.298 0.000 -2.827) 5.145 3.637 ( 4.298 0.000 2.827) 5.145 3.771 ( -1.462 0.000 -2.171) 2.617 3.771 ( 1.462 0.000 2.171) 2.617 3.944 ( 1.733 0.000 -3.125) 3.573 3.944 ( -1.733 0.000 3.125) 3.573 4.066 ( -0.978 0.000 -3.860) 3.982 4.066 ( 0.978 0.000 3.860) 3.982 4.152 ( -0.443 0.000 -1.364) 1.435 4.152 ( 0.443 0.000 1.364) 1.435 4.292 ( 0.980 0.000 -6.551) 6.623 4.292 ( -0.980 0.000 6.551) 6.623 4.647 ( -0.120 0.000 -10.072) 10.072 4.647 ( 0.120 0.000 10.072) 10.072 4.820 ( -2.322 0.000 -0.938) 2.505 4.820 ( 2.322 0.000 0.938) 2.505 4.883 ( -3.530 0.000 -0.142) 3.533 4.883 ( 3.530 0.000 0.142) 3.533 4.952 ( -2.158 0.000 -1.669) 2.728 4.952 ( 2.158 0.000 1.669) 2.728 5.331 ( 2.494 0.000 -6.049) 6.543 5.331 ( -2.494 0.000 6.049) 6.543 5.574 ( 2.048 0.000 -4.972) 5.378 5.574 ( -2.048 0.000 4.972) 5.378 5.601 ( -2.828 0.000 0.009) 2.828 5.601 ( 2.828 0.000 -0.009) 2.828 5.926 ( 0.509 0.000 -1.115) 1.226 5.926 ( -0.509 0.000 1.115) 1.226 5.981 ( 2.163 0.000 -1.118) 2.435 5.981 ( -2.163 0.000 1.118) 2.435 6.081 ( -1.255 0.000 -1.017) 1.615 6.081 ( 1.255 0.000 1.017) 1.615 6.185 ( -0.620 0.000 -0.658) 0.904 6.185 ( 0.620 0.000 0.658) 0.904 6.305 ( 3.806 0.000 -7.412) 8.332 6.305 ( -3.806 0.000 7.412) 8.332 6.456 ( 4.926 0.000 -4.921) 6.963 6.456 ( -4.926 0.000 4.921) 6.963 6.823 ( -2.672 0.000 -10.851) 11.175 6.823 ( 2.672 0.000 10.851) 11.175 6.895 ( 0.746 0.000 -4.225) 4.290 6.895 ( -0.746 0.000 4.225) 4.290 7.237 ( 2.955 0.000 -1.775) 3.447 7.237 ( -2.955 0.000 1.775) 3.447 7.307 ( 2.101 0.000 -3.447) 4.037 7.307 ( -2.101 0.000 3.447) 4.037 7.309 ( -4.970 0.000 -3.685) 6.187 7.309 ( 4.970 0.000 3.685) 6.187 7.416 ( 1.298 0.000 -1.592) 2.054 7.416 ( -1.298 0.000 1.592) 2.054 7.492 ( 1.885 0.000 -6.293) 6.569 7.492 ( -1.885 0.000 6.293) 6.569 7.706 ( 1.737 0.000 -3.104) 3.557 7.706 ( -1.737 0.000 3.104) 3.557 7.971 ( 0.070 0.000 -1.769) 1.770 7.971 ( -0.070 0.000 1.769) 1.770 8.194 ( 1.493 0.000 -5.255) 5.463 8.194 ( -1.493 0.000 5.255) 5.463 8.502 ( 5.374 0.000 -2.498) 5.927 8.502 ( -5.374 0.000 2.498) 5.927 8.680 ( 3.012 0.000 -8.130) 8.671 8.680 ( -3.012 0.000 8.130) 8.671 9.018 ( -1.586 0.000 -1.138) 1.952 9.018 ( 1.586 0.000 1.138) 1.952 9.454 ( -1.519 0.000 -3.695) 3.995 9.454 ( 1.519 0.000 3.695) 3.995 9.773 ( 2.756 0.000 -8.147) 8.601 9.773 ( -2.756 0.000 8.147) 8.601 9.935 ( -0.474 0.000 -3.118) 3.154 9.935 ( 0.474 0.000 3.118) 3.154 10.274 ( -0.335 0.000 -0.743) 0.815 10.274 ( 0.335 0.000 0.743) 0.815 11.873 ( -0.772 0.000 -3.022) 3.119 11.873 ( 0.772 0.000 3.022) 3.119 12.044 ( -0.104 0.000 -1.446) 1.450 12.044 ( 0.104 0.000 1.446) 1.450 13.731 ( 2.968 0.000 -3.714) 4.754 13.731 ( -2.968 0.000 3.714) 4.754 14.285 ( 0.701 0.000 -3.880) 3.943 14.285 ( -0.701 0.000 3.880) 3.943 14.383 ( -2.138 0.000 -2.617) 3.379 14.383 ( 2.138 0.000 2.617) 3.379 14.728 ( -0.308 0.000 -0.708) 0.772 14.728 ( 0.308 0.000 0.708) 0.772 14.856 ( -2.094 0.000 -1.154) 2.391 14.856 ( 2.094 0.000 1.154) 2.391 14.966 ( 4.158 0.000 -2.899) 5.069 14.966 ( -4.158 0.000 2.899) 5.069 15.051 ( -2.742 0.000 -5.913) 6.518 15.051 ( 2.742 0.000 5.913) 6.518 15.383 ( 0.352 0.000 -3.609) 3.627 15.383 ( -0.352 0.000 3.609) 3.627 15.628 ( -5.180 0.000 0.116) 5.181 15.628 ( 5.180 0.000 -0.116) 5.181 15.719 ( -8.486 0.000 0.271) 8.490 15.719 ( 8.486 0.000 -0.271) 8.490 16.415 ( -6.611 0.000 -4.035) 7.745 16.415 ( 6.611 0.000 4.035) 7.745 16.631 ( -3.332 0.000 -1.439) 3.629 16.631 ( 3.332 0.000 1.439) 3.629 17.113 ( 0.919 0.000 -0.635) 1.117 17.113 ( -0.919 0.000 0.635) 1.117 17.289 ( 3.940 0.000 -1.983) 4.411 17.289 ( -3.940 0.000 1.983) 4.411 17.369 ( -2.398 0.000 -0.266) 2.413 17.369 ( 2.398 0.000 0.266) 2.413 17.667 ( -6.385 0.000 0.043) 6.385 17.667 ( 6.385 0.000 -0.043) 6.385 17.884 ( 4.155 0.000 -2.493) 4.846 17.884 ( -4.155 0.000 2.493) 4.846 18.241 ( -0.247 0.000 -6.938) 6.943 18.241 ( 0.247 0.000 6.938) 6.943 18.499 ( -1.775 0.000 -2.499) 3.065 18.499 ( 1.775 0.000 2.499) 3.065 19.173 ( -1.287 0.000 -0.242) 1.309 19.173 ( 1.287 0.000 0.242) 1.309 19.442 ( 0.681 0.000 -1.801) 1.925 19.442 ( -0.681 0.000 1.801) 1.925 19.898 ( -5.073 0.000 -4.909) 7.059 19.898 ( 5.073 0.000 4.909) 7.059 19.975 ( 0.292 0.000 -1.263) 1.296 19.975 ( -0.292 0.000 1.263) 1.296 20.618 ( -6.642 0.000 -3.946) 7.725 20.618 ( 6.642 0.000 3.946) 7.725 21.180 ( -15.040 0.000 0.906) 15.068 21.180 ( 15.040 0.000 -0.906) 15.068 21.530 ( -3.339 0.000 0.529) 3.381 21.530 ( 3.339 0.000 -0.529) 3.381 21.679 ( -1.089 0.000 -2.545) 2.768 21.679 ( 1.089 0.000 2.545) 2.768 21.859 ( 1.323 0.000 -2.353) 2.699 21.859 ( -1.323 0.000 2.353) 2.699 22.207 ( 3.868 0.000 -2.443) 4.575 22.207 ( -3.868 0.000 2.443) 4.575 22.404 ( 2.292 0.000 -1.863) 2.954 22.404 ( -2.292 0.000 1.863) 2.954 ======================= Grid point 127 (65/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 3.968 0.000 -19.283) 19.687 1.276 ( 7.582 0.000 -25.804) 26.895 1.366 ( 3.190 0.000 1.094) 3.372 1.402 ( 7.037 0.000 10.565) 12.694 1.687 ( 7.142 0.000 -0.260) 7.147 1.816 ( 1.509 0.000 11.048) 11.151 2.164 ( 0.546 0.000 -7.828) 7.847 2.173 ( -10.006 0.000 -0.311) 10.011 2.235 ( 0.428 0.000 -13.288) 13.295 2.374 ( 3.571 0.000 -23.712) 23.979 2.399 ( -1.334 0.000 -0.318) 1.371 2.518 ( 6.443 0.000 -14.220) 15.611 2.599 ( -3.000 0.000 6.014) 6.721 2.722 ( -0.401 0.000 3.267) 3.292 2.734 ( 0.079 0.000 6.216) 6.217 2.783 ( -1.030 0.000 -6.595) 6.675 2.810 ( 1.801 0.000 -3.787) 4.193 2.876 ( -9.214 0.000 -4.338) 10.184 2.977 ( 4.399 0.000 -0.357) 4.414 3.032 ( 4.663 0.000 -3.571) 5.873 3.051 ( -6.842 0.000 -5.836) 8.993 3.106 ( -3.484 0.000 -0.446) 3.512 3.182 ( -1.323 0.000 0.446) 1.396 3.195 ( -7.536 0.000 2.492) 7.937 3.219 ( 1.450 0.000 -7.299) 7.441 3.290 ( -1.401 0.000 3.603) 3.866 3.382 ( 5.150 0.000 5.081) 7.234 3.446 ( 2.047 0.000 4.446) 4.895 3.531 ( -4.563 0.000 4.574) 6.461 3.572 ( 3.908 0.000 1.563) 4.209 3.603 ( 0.577 0.000 0.642) 0.863 3.628 ( 1.239 0.000 8.419) 8.510 3.695 ( 0.386 0.000 -0.176) 0.424 3.714 ( 2.651 0.000 5.675) 6.263 3.718 ( 5.812 0.000 11.876) 13.222 3.767 ( -0.455 0.000 -2.418) 2.460 3.908 ( -2.605 0.000 -1.405) 2.960 3.939 ( -1.206 0.000 0.049) 1.207 4.068 ( 1.848 0.000 0.969) 2.087 4.124 ( 0.938 0.000 -9.655) 9.700 4.131 ( 6.524 0.000 -7.124) 9.660 4.158 ( 0.243 0.000 8.400) 8.404 4.174 ( -1.594 0.000 -7.886) 8.045 4.283 ( -3.604 0.000 1.566) 3.930 4.638 ( 4.025 0.000 0.755) 4.095 4.642 ( -9.499 0.000 -1.397) 9.601 4.744 ( -2.155 0.000 -1.625) 2.699 4.764 ( -1.347 0.000 0.127) 1.353 4.950 ( 0.992 0.000 12.846) 12.885 4.954 ( 1.098 0.000 5.316) 5.428 5.016 ( -0.966 0.000 4.442) 4.546 5.089 ( 4.864 0.000 1.468) 5.081 5.246 ( -2.447 0.000 -1.055) 2.665 5.273 ( -7.270 0.000 -2.138) 7.578 5.549 ( 0.178 0.000 -0.141) 0.227 5.614 ( -4.597 0.000 4.395) 6.360 5.619 ( 2.282 0.000 0.910) 2.456 5.637 ( 0.867 0.000 0.691) 1.109 5.842 ( -5.560 0.000 -0.258) 5.566 5.864 ( -1.652 0.000 -3.029) 3.450 6.000 ( -2.723 0.000 2.027) 3.395 6.005 ( -1.611 0.000 1.071) 1.934 6.055 ( 1.066 0.000 4.566) 4.688 6.124 ( -0.537 0.000 2.659) 2.713 6.134 ( -2.410 0.000 -3.197) 4.004 6.197 ( 3.202 0.000 -2.086) 3.821 6.286 ( 3.407 0.000 -3.467) 4.860 6.349 ( -3.641 0.000 8.101) 8.882 6.468 ( -6.958 0.000 8.562) 11.033 6.524 ( 3.903 0.000 1.794) 4.296 6.593 ( -1.200 0.000 -14.684) 14.733 6.800 ( 0.626 0.000 -8.879) 8.901 6.834 ( -4.587 0.000 -3.988) 6.078 6.936 ( -2.122 0.000 4.903) 5.343 7.131 ( -6.889 0.000 -1.445) 7.039 7.224 ( -8.844 0.000 -0.891) 8.889 7.246 ( -3.208 0.000 -1.087) 3.387 7.257 ( -0.431 0.000 -0.688) 0.812 7.305 ( 0.107 0.000 2.559) 2.561 7.334 ( 0.902 0.000 2.794) 2.936 7.389 ( 3.527 0.000 -1.945) 4.027 7.539 ( 7.405 0.000 3.872) 8.356 7.574 ( 10.516 0.000 -4.657) 11.502 7.648 ( 5.423 0.000 4.898) 7.307 7.707 ( 2.451 0.000 -1.246) 2.749 7.749 ( -0.065 0.000 5.808) 5.808 7.927 ( 0.248 0.000 -4.357) 4.364 7.979 ( 1.936 0.000 -1.837) 2.669 8.147 ( 2.491 0.000 -5.505) 6.043 8.214 ( -2.853 0.000 3.162) 4.259 8.532 ( 2.093 0.000 1.302) 2.465 8.662 ( 7.597 0.000 -4.359) 8.759 8.676 ( 11.419 0.000 5.258) 12.572 8.758 ( 0.589 0.000 7.639) 7.662 8.966 ( -1.836 0.000 -1.948) 2.677 9.037 ( 1.590 0.000 -1.662) 2.300 9.478 ( 3.218 0.000 4.490) 5.524 9.600 ( 6.652 0.000 5.824) 8.841 9.691 ( 2.959 0.000 -9.310) 9.769 9.808 ( -3.044 0.000 3.698) 4.790 9.884 ( -1.990 0.000 -1.087) 2.268 9.963 ( -2.393 0.000 1.995) 3.116 10.234 ( -0.886 0.000 -3.828) 3.929 10.274 ( 0.586 0.000 -1.026) 1.182 11.816 ( -1.240 0.000 -2.761) 3.026 11.909 ( -1.062 0.000 2.173) 2.419 12.004 ( -1.930 0.000 -1.601) 2.508 12.033 ( -2.656 0.000 -0.301) 2.674 13.779 ( 1.392 0.000 4.450) 4.663 13.802 ( 10.136 0.000 0.561) 10.152 14.235 ( -0.584 0.000 -4.019) 4.061 14.341 ( 1.459 0.000 3.707) 3.984 14.358 ( 1.238 0.000 0.877) 1.517 14.446 ( -0.497 0.000 3.858) 3.890 14.695 ( -1.383 0.000 -2.193) 2.593 14.725 ( -0.693 0.000 -0.423) 0.811 14.773 ( -3.759 0.000 -3.610) 5.211 14.855 ( -0.256 0.000 -2.598) 2.611 14.911 ( 0.135 0.000 -5.984) 5.985 14.939 ( -2.851 0.000 -0.002) 2.851 15.039 ( 3.852 0.000 -1.270) 4.056 15.146 ( -3.434 0.000 4.654) 5.784 15.355 ( 1.662 0.000 0.257) 1.681 15.393 ( -3.211 0.000 2.206) 3.896 15.521 ( -8.870 0.000 -0.522) 8.885 15.629 ( -0.137 0.000 -1.076) 1.085 15.712 ( 5.260 0.000 -0.137) 5.262 15.810 ( 6.467 0.000 -4.123) 7.670 16.234 ( -8.447 0.000 -5.797) 10.245 16.529 ( -2.716 0.000 -0.226) 2.725 16.577 ( 3.034 0.000 2.732) 4.083 16.694 ( 2.847 0.000 1.096) 3.051 17.117 ( -0.719 0.000 1.788) 1.927 17.125 ( 1.385 0.000 -0.520) 1.479 17.240 ( -2.662 0.000 -1.463) 3.038 17.297 ( 2.936 0.000 -5.250) 6.015 17.331 ( -4.878 0.000 3.671) 6.105 17.399 ( -0.283 0.000 1.725) 1.748 17.593 ( -5.523 0.000 2.857) 6.218 17.712 ( -3.157 0.000 1.384) 3.448 17.919 ( 4.794 0.000 -3.838) 6.141 17.936 ( 4.112 0.000 5.268) 6.683 18.157 ( 0.787 0.000 -5.054) 5.115 18.334 ( 1.488 0.000 4.879) 5.101 18.472 ( 0.692 0.000 -0.509) 0.859 18.587 ( 2.596 0.000 4.798) 5.455 19.169 ( -1.392 0.000 -0.122) 1.397 19.255 ( 4.960 0.000 3.901) 6.310 19.411 ( 0.767 0.000 -2.306) 2.430 19.424 ( -1.611 0.000 0.010) 1.611 19.800 ( -1.596 0.000 -1.235) 2.018 19.954 ( -0.661 0.000 -1.127) 1.306 19.991 ( -0.391 0.000 2.151) 2.186 20.047 ( 4.029 0.000 5.067) 6.474 20.450 ( -8.066 0.000 -3.494) 8.790 20.732 ( -2.579 0.000 0.486) 2.624 20.806 ( -21.930 0.000 -5.081) 22.511 21.254 ( -0.346 0.000 -2.266) 2.292 21.475 ( -4.355 0.000 -0.238) 4.362 21.569 ( 1.796 0.000 -1.897) 2.613 21.622 ( -0.432 0.000 -1.782) 1.834 21.723 ( 1.185 0.000 1.865) 2.210 21.858 ( 2.352 0.000 -1.519) 2.800 21.866 ( -1.074 0.000 1.639) 1.959 22.220 ( 2.221 0.000 -2.407) 3.275 22.220 ( 0.899 0.000 2.905) 3.041 22.464 ( 5.486 0.000 0.613) 5.520 22.564 ( 14.686 0.000 3.863) 15.186 ======================= Grid point 128 (66/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 18.452 0.000 -7.933) 20.085 1.119 ( 16.219 0.000 -22.586) 27.807 1.418 ( 3.892 0.000 0.328) 3.905 1.614 ( -1.712 0.000 0.189) 1.723 1.728 ( 11.464 0.000 -2.978) 11.844 1.869 ( -2.034 0.000 -9.254) 9.475 2.034 ( -6.380 0.000 1.910) 6.660 2.130 ( 4.660 0.000 -1.592) 4.924 2.132 ( 22.748 0.000 -24.804) 33.655 2.243 ( 4.483 0.000 2.558) 5.162 2.348 ( -1.121 0.000 -4.670) 4.803 2.456 ( 0.417 0.000 -10.397) 10.405 2.582 ( -6.525 0.000 2.583) 7.018 2.692 ( -6.044 0.000 -2.457) 6.524 2.701 ( -4.030 0.000 -1.755) 4.396 2.719 ( 0.583 0.000 -0.569) 0.815 2.785 ( 3.033 0.000 -0.590) 3.090 2.840 ( -5.380 0.000 -7.090) 8.900 2.868 ( 0.651 0.000 4.664) 4.709 3.023 ( -0.347 0.000 -4.067) 4.082 3.076 ( 2.011 0.000 1.224) 2.355 3.091 ( -2.534 0.000 -2.344) 3.452 3.112 ( -2.999 0.000 8.736) 9.237 3.207 ( -2.284 0.000 0.769) 2.410 3.213 ( 2.420 0.000 3.517) 4.269 3.245 ( 0.252 0.000 0.452) 0.518 3.463 ( -3.473 0.000 3.003) 4.591 3.504 ( 1.637 0.000 -0.773) 1.811 3.530 ( -0.639 0.000 -2.079) 2.175 3.541 ( -0.648 0.000 0.543) 0.846 3.574 ( -2.455 0.000 1.583) 2.922 3.661 ( -3.316 0.000 -2.236) 4.000 3.710 ( -2.022 0.000 0.690) 2.136 3.771 ( 2.993 0.000 -1.415) 3.310 3.778 ( -5.709 0.000 2.285) 6.150 3.892 ( 1.618 0.000 -7.012) 7.196 3.902 ( 5.042 0.000 -2.932) 5.833 3.957 ( -2.645 0.000 -4.234) 4.993 3.965 ( -0.006 0.000 7.729) 7.729 3.975 ( 3.273 0.000 -8.979) 9.557 4.096 ( 5.365 0.000 -9.794) 11.167 4.234 ( -1.805 0.000 1.668) 2.458 4.244 ( 6.725 0.000 1.435) 6.877 4.358 ( -2.037 0.000 15.304) 15.439 4.500 ( -6.692 0.000 1.524) 6.863 4.638 ( -2.976 0.000 -0.252) 2.987 4.698 ( -3.330 0.000 -0.040) 3.330 4.808 ( -2.255 0.000 1.297) 2.601 4.903 ( -12.904 0.000 1.496) 12.991 4.980 ( -1.589 0.000 -4.815) 5.070 5.051 ( -2.185 0.000 0.420) 2.225 5.111 ( -5.584 0.000 2.669) 6.189 5.178 ( 1.960 0.000 1.141) 2.268 5.309 ( 0.637 0.000 10.144) 10.164 5.542 ( -3.121 0.000 -2.185) 3.810 5.605 ( 1.824 0.000 3.121) 3.615 5.691 ( 3.688 0.000 3.357) 4.987 5.701 ( 3.089 0.000 4.918) 5.808 5.796 ( -5.871 0.000 2.008) 6.205 5.865 ( 0.762 0.000 1.814) 1.967 5.887 ( -7.345 0.000 -3.005) 7.936 5.955 ( -5.035 0.000 -1.291) 5.197 5.966 ( -4.689 0.000 2.454) 5.292 6.135 ( 2.783 0.000 -5.185) 5.885 6.234 ( 2.971 0.000 0.013) 2.971 6.299 ( 8.311 0.000 5.850) 10.163 6.336 ( 6.353 0.000 3.887) 7.448 6.374 ( -5.063 0.000 5.027) 7.134 6.446 ( -5.073 0.000 3.621) 6.232 6.542 ( 5.531 0.000 -0.050) 5.531 6.553 ( -1.094 0.000 1.077) 1.535 6.724 ( 3.072 0.000 -5.699) 6.474 6.742 ( -3.334 0.000 0.979) 3.475 6.928 ( -4.953 0.000 4.409) 6.631 7.055 ( -4.927 0.000 0.663) 4.972 7.093 ( -4.937 0.000 -1.408) 5.134 7.202 ( 0.723 0.000 -0.467) 0.860 7.240 ( 1.906 0.000 -3.882) 4.324 7.299 ( 1.733 0.000 -4.005) 4.364 7.400 ( 0.355 0.000 4.982) 4.995 7.434 ( 0.029 0.000 1.226) 1.226 7.635 ( 3.595 0.000 -1.773) 4.008 7.666 ( 8.512 0.000 -3.072) 9.049 7.717 ( 1.324 0.000 -0.158) 1.334 7.759 ( -0.586 0.000 2.943) 3.001 7.842 ( -0.239 0.000 5.957) 5.961 7.908 ( 3.915 0.000 -0.858) 4.007 8.007 ( 5.801 0.000 -2.799) 6.440 8.121 ( 4.807 0.000 -7.109) 8.582 8.209 ( -2.479 0.000 2.399) 3.450 8.558 ( 0.890 0.000 0.702) 1.134 8.773 ( 9.077 0.000 -3.563) 9.751 8.784 ( -5.863 0.000 9.521) 11.182 8.944 ( 3.727 0.000 -0.584) 3.772 8.979 ( 5.986 0.000 1.103) 6.087 9.039 ( 4.222 0.000 1.913) 4.635 9.591 ( 3.852 0.000 -10.800) 11.466 9.624 ( 1.877 0.000 8.917) 9.112 9.759 ( -0.662 0.000 3.707) 3.766 9.774 ( -6.606 0.000 0.626) 6.636 9.890 ( 4.434 0.000 2.193) 4.946 9.901 ( -1.271 0.000 -4.497) 4.673 10.152 ( -1.349 0.000 -4.897) 5.080 10.284 ( 1.258 0.000 0.313) 1.296 11.773 ( -0.379 0.000 -1.354) 1.406 11.879 ( -3.879 0.000 -1.057) 4.021 11.955 ( -1.959 0.000 -0.791) 2.113 11.981 ( -1.224 0.000 -1.378) 1.843 13.880 ( 2.857 0.000 5.370) 6.083 14.061 ( 12.197 0.000 9.457) 15.434 14.186 ( 0.267 0.000 -1.938) 1.956 14.398 ( -0.324 0.000 1.414) 1.450 14.415 ( 2.556 0.000 1.415) 2.921 14.485 ( -1.414 0.000 6.079) 6.241 14.638 ( -0.349 0.000 -3.408) 3.426 14.676 ( -2.309 0.000 -2.736) 3.580 14.708 ( 0.218 0.000 -0.884) 0.911 14.769 ( -2.776 0.000 -8.714) 9.145 14.855 ( -3.989 0.000 -0.926) 4.096 14.865 ( 1.485 0.000 -2.841) 3.206 15.068 ( 3.533 0.000 -3.161) 4.740 15.117 ( -4.534 0.000 1.613) 4.812 15.280 ( -5.339 0.000 -3.788) 6.547 15.351 ( -4.463 0.000 0.481) 4.489 15.531 ( 2.265 0.000 4.222) 4.791 15.657 ( 3.986 0.000 1.312) 4.196 15.763 ( 1.505 0.000 -2.397) 2.830 15.816 ( 5.314 0.000 -6.093) 8.085 16.020 ( -5.988 0.000 -7.110) 9.296 16.414 ( -6.454 0.000 -3.253) 7.227 16.707 ( 3.895 0.000 5.172) 6.475 16.753 ( 3.029 0.000 0.888) 3.156 17.133 ( -1.645 0.000 2.995) 3.417 17.134 ( 1.276 0.000 -1.412) 1.903 17.176 ( -2.069 0.000 -2.208) 3.026 17.244 ( 0.592 0.000 -5.845) 5.875 17.327 ( -3.693 0.000 5.558) 6.673 17.409 ( -0.173 0.000 0.554) 0.580 17.563 ( -3.952 0.000 3.260) 5.123 17.677 ( -2.924 0.000 1.961) 3.521 17.915 ( 2.557 0.000 -5.343) 5.923 17.963 ( -4.690 0.000 -3.491) 5.846 18.201 ( 5.372 0.000 4.354) 6.916 18.420 ( 2.867 0.000 2.818) 4.020 18.499 ( 2.454 0.000 0.494) 2.503 18.685 ( 1.782 0.000 4.017) 4.394 19.074 ( -7.262 0.000 -2.592) 7.710 19.258 ( -5.381 0.000 -2.586) 5.971 19.459 ( 3.736 0.000 1.775) 4.136 19.538 ( 8.431 0.000 4.617) 9.612 19.787 ( -0.979 0.000 0.947) 1.362 19.901 ( -4.251 0.000 -1.853) 4.637 20.025 ( 0.631 0.000 2.289) 2.374 20.164 ( 2.790 0.000 3.984) 4.864 20.295 ( -11.423 0.000 -9.296) 14.727 20.305 ( -6.164 0.000 -0.118) 6.165 20.771 ( -2.412 0.000 -0.723) 2.519 21.166 ( -4.896 0.000 -3.839) 6.222 21.407 ( -3.496 0.000 0.168) 3.500 21.506 ( -2.911 0.000 -2.692) 3.965 21.654 ( 3.186 0.000 0.313) 3.201 21.763 ( 0.435 0.000 1.660) 1.716 21.882 ( 1.025 0.000 1.091) 1.497 21.889 ( 3.408 0.000 -0.985) 3.547 22.239 ( 3.647 0.000 -1.489) 3.939 22.282 ( 2.199 0.000 1.808) 2.847 22.564 ( 6.796 0.000 0.059) 6.796 22.824 ( 5.942 0.000 6.775) 9.012 ======================= Grid point 129 (67/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 16.460 0.000 -9.544) 19.027 1.233 ( 19.075 0.000 -19.211) 27.072 1.463 ( -5.312 0.000 -5.102) 7.365 1.494 ( -0.496 0.000 5.852) 5.873 1.899 ( 6.679 0.000 2.057) 6.988 1.919 ( 11.135 0.000 6.457) 12.872 2.006 ( 6.339 0.000 -1.488) 6.512 2.117 ( 1.938 0.000 -1.738) 2.603 2.215 ( 4.818 0.000 -5.286) 7.152 2.247 ( -3.980 0.000 -6.425) 7.558 2.260 ( -1.684 0.000 0.998) 1.958 2.512 ( -7.831 0.000 -3.373) 8.527 2.518 ( 16.024 0.000 -0.429) 16.030 2.570 ( -3.455 0.000 1.940) 3.962 2.587 ( -4.925 0.000 -1.063) 5.039 2.724 ( 0.653 0.000 -5.780) 5.817 2.766 ( 1.816 0.000 1.929) 2.649 2.866 ( -5.687 0.000 -6.033) 8.291 2.882 ( -4.068 0.000 1.068) 4.206 2.898 ( 7.580 0.000 1.591) 7.745 2.974 ( -7.280 0.000 -3.945) 8.280 3.053 ( -2.644 0.000 -0.084) 2.645 3.133 ( 0.713 0.000 -2.597) 2.693 3.218 ( -0.908 0.000 9.924) 9.965 3.377 ( 1.890 0.000 10.987) 11.148 3.392 ( 1.440 0.000 4.227) 4.465 3.415 ( -0.342 0.000 -10.827) 10.833 3.476 ( -2.497 0.000 -5.698) 6.221 3.490 ( -1.074 0.000 -0.104) 1.079 3.509 ( 0.892 0.000 3.943) 4.043 3.575 ( -0.697 0.000 3.541) 3.609 3.589 ( -0.616 0.000 2.612) 2.684 3.655 ( -3.908 0.000 1.744) 4.280 3.715 ( -1.529 0.000 -6.623) 6.797 3.726 ( -3.584 0.000 0.012) 3.584 3.793 ( -0.734 0.000 -6.782) 6.822 3.806 ( -3.423 0.000 -5.503) 6.480 3.868 ( 0.872 0.000 -8.726) 8.770 4.012 ( 5.154 0.000 -3.689) 6.338 4.076 ( -1.160 0.000 1.983) 2.297 4.103 ( 7.060 0.000 0.505) 7.078 4.189 ( -2.605 0.000 -1.511) 3.011 4.288 ( 0.209 0.000 -3.604) 3.610 4.425 ( -9.096 0.000 3.489) 9.742 4.461 ( -1.870 0.000 1.428) 2.353 4.586 ( -7.288 0.000 9.470) 11.950 4.678 ( -0.986 0.000 3.884) 4.007 4.750 ( 1.187 0.000 -3.151) 3.367 4.797 ( -3.307 0.000 -0.300) 3.320 4.952 ( 3.260 0.000 -0.424) 3.288 4.990 ( -2.284 0.000 0.524) 2.343 5.005 ( -7.668 0.000 -1.153) 7.754 5.216 ( 1.077 0.000 -0.053) 1.078 5.403 ( -5.172 0.000 4.931) 7.146 5.459 ( -3.789 0.000 -3.806) 5.370 5.500 ( -8.385 0.000 -8.149) 11.693 5.753 ( 1.420 0.000 2.129) 2.560 5.795 ( 4.550 0.000 0.852) 4.629 5.813 ( -0.069 0.000 3.906) 3.906 5.846 ( -0.512 0.000 4.955) 4.981 5.912 ( 0.986 0.000 4.715) 4.817 5.934 ( -1.345 0.000 0.426) 1.411 5.968 ( 2.960 0.000 1.246) 3.212 6.116 ( 2.380 0.000 -4.657) 5.230 6.332 ( 0.978 0.000 -1.817) 2.063 6.342 ( 5.338 0.000 1.972) 5.690 6.389 ( -0.141 0.000 1.083) 1.093 6.451 ( -4.429 0.000 11.423) 12.251 6.535 ( 2.970 0.000 4.146) 5.100 6.572 ( -1.489 0.000 1.554) 2.152 6.635 ( 2.082 0.000 6.375) 6.706 6.737 ( 1.490 0.000 0.123) 1.495 6.759 ( 7.388 0.000 -2.004) 7.655 6.933 ( -5.675 0.000 7.756) 9.610 6.958 ( -5.701 0.000 -0.104) 5.702 7.043 ( 0.401 0.000 -1.049) 1.123 7.197 ( 1.131 0.000 -6.635) 6.731 7.260 ( 2.328 0.000 -5.392) 5.873 7.300 ( 6.145 0.000 3.359) 7.004 7.421 ( -1.259 0.000 1.782) 2.182 7.464 ( -2.502 0.000 6.234) 6.717 7.642 ( -0.118 0.000 -3.262) 3.265 7.698 ( -0.923 0.000 -0.674) 1.143 7.739 ( 4.711 0.000 -2.895) 5.530 7.757 ( -0.293 0.000 0.479) 0.562 7.866 ( -1.564 0.000 0.733) 1.727 8.011 ( 4.427 0.000 3.253) 5.494 8.058 ( 3.398 0.000 -0.824) 3.497 8.103 ( 4.896 0.000 -6.435) 8.085 8.192 ( -2.878 0.000 0.448) 2.913 8.604 ( 1.437 0.000 4.105) 4.350 8.799 ( 4.313 0.000 -4.935) 6.554 8.800 ( -7.499 0.000 8.215) 11.123 8.899 ( -2.593 0.000 -7.821) 8.240 9.088 ( 12.662 0.000 0.006) 12.662 9.200 ( 2.907 0.000 6.777) 7.374 9.500 ( 2.102 0.000 -9.821) 10.044 9.589 ( -11.603 0.000 -3.568) 12.139 9.741 ( -1.152 0.000 7.910) 7.994 9.758 ( -4.045 0.000 5.141) 6.542 9.857 ( 1.611 0.000 -4.974) 5.228 9.935 ( 2.168 0.000 -7.639) 7.941 10.144 ( 3.435 0.000 3.297) 4.762 10.298 ( -0.187 0.000 -0.498) 0.532 11.769 ( 0.657 0.000 0.057) 0.659 11.811 ( -1.576 0.000 -1.485) 2.166 11.929 ( -1.004 0.000 0.330) 1.057 11.954 ( -0.563 0.000 -1.180) 1.307 14.001 ( 1.166 0.000 7.771) 7.859 14.206 ( 4.661 0.000 -0.665) 4.708 14.239 ( -0.169 0.000 -1.773) 1.781 14.375 ( -4.260 0.000 -0.225) 4.266 14.441 ( 0.200 0.000 -0.209) 0.290 14.506 ( -3.010 0.000 0.078) 3.011 14.641 ( -0.097 0.000 -0.064) 0.116 14.662 ( 3.401 0.000 4.464) 5.612 14.685 ( 0.743 0.000 2.281) 2.399 14.727 ( 3.614 0.000 -1.084) 3.773 14.794 ( -1.444 0.000 -0.837) 1.669 14.874 ( 2.582 0.000 -1.360) 2.919 15.050 ( -1.242 0.000 -1.870) 2.245 15.063 ( 1.310 0.000 -2.965) 3.242 15.222 ( -0.558 0.000 -0.389) 0.680 15.274 ( -4.208 0.000 -1.262) 4.393 15.534 ( -2.726 0.000 -0.650) 2.802 15.673 ( -2.398 0.000 -7.427) 7.805 15.788 ( 4.169 0.000 5.393) 6.816 15.845 ( 5.254 0.000 -3.571) 6.352 15.937 ( 2.764 0.000 -0.551) 2.819 16.252 ( -8.001 0.000 -4.122) 9.000 16.809 ( 3.045 0.000 0.357) 3.066 16.813 ( 1.467 0.000 3.856) 4.126 17.126 ( -0.090 0.000 -1.568) 1.570 17.126 ( -0.523 0.000 -1.364) 1.461 17.145 ( -2.561 0.000 3.597) 4.416 17.183 ( 1.216 0.000 -4.785) 4.937 17.361 ( -1.533 0.000 5.343) 5.559 17.417 ( 0.567 0.000 -0.002) 0.567 17.556 ( -2.853 0.000 3.763) 4.722 17.670 ( -1.644 0.000 0.248) 1.662 17.801 ( -3.382 0.000 -6.343) 7.189 17.859 ( 0.367 0.000 -5.942) 5.954 18.358 ( 5.344 0.000 5.510) 7.676 18.485 ( 1.509 0.000 1.158) 1.902 18.551 ( 2.988 0.000 0.990) 3.147 18.724 ( -1.038 0.000 -0.822) 1.324 18.951 ( -4.149 0.000 0.458) 4.174 19.109 ( -5.812 0.000 -4.633) 7.433 19.532 ( 2.405 0.000 0.829) 2.544 19.593 ( 0.714 0.000 -3.936) 4.000 19.792 ( -0.791 0.000 2.496) 2.618 19.848 ( -0.571 0.000 -0.017) 0.571 20.047 ( 0.142 0.000 -0.002) 0.142 20.094 ( -0.378 0.000 -4.578) 4.594 20.296 ( -0.308 0.000 6.138) 6.146 20.399 ( 3.783 0.000 10.691) 11.341 20.691 ( -2.791 0.000 -1.286) 3.073 21.010 ( -5.514 0.000 -7.443) 9.263 21.381 ( -1.272 0.000 1.212) 1.757 21.436 ( -2.034 0.000 -1.908) 2.789 21.708 ( 2.846 0.000 0.572) 2.903 21.773 ( -1.180 0.000 0.846) 1.452 21.920 ( 1.335 0.000 1.128) 1.748 21.925 ( 2.532 0.000 -0.748) 2.641 22.283 ( 3.351 0.000 -0.427) 3.378 22.322 ( 0.610 0.000 0.755) 0.970 22.676 ( 6.905 0.000 0.876) 6.961 22.887 ( -3.832 0.000 1.433) 4.091 ======================= Grid point 130 (68/78) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 10.971 0.000 -11.796) 16.110 1.238 ( -10.971 0.000 11.796) 16.110 1.451 ( 11.792 0.000 -5.054) 12.829 1.451 ( -11.792 0.000 5.054) 12.829 2.000 ( 0.184 0.000 -5.776) 5.778 2.000 ( -0.184 0.000 5.776) 5.778 2.116 ( -5.976 0.000 0.043) 5.976 2.116 ( 5.976 0.000 -0.043) 5.976 2.223 ( 0.602 0.000 -13.665) 13.678 2.223 ( -0.602 0.000 13.665) 13.678 2.350 ( -7.472 0.000 -5.313) 9.168 2.350 ( 7.472 0.000 5.313) 9.168 2.545 ( -5.649 0.000 1.715) 5.903 2.545 ( 5.649 0.000 -1.715) 5.903 2.677 ( 2.851 0.000 -1.671) 3.305 2.677 ( -2.851 0.000 1.671) 3.305 2.763 ( 4.087 0.000 -2.419) 4.749 2.763 ( -4.087 0.000 2.419) 4.749 2.837 ( -2.992 0.000 -2.250) 3.743 2.837 ( 2.992 0.000 2.250) 3.743 3.059 ( 2.252 0.000 -7.371) 7.707 3.059 ( -2.252 0.000 7.371) 7.707 3.158 ( -6.774 0.000 -11.476) 13.326 3.158 ( 6.774 0.000 11.476) 13.326 3.350 ( 0.113 0.000 -7.686) 7.687 3.350 ( -0.113 0.000 7.686) 7.687 3.440 ( -2.079 0.000 -0.368) 2.111 3.440 ( 2.079 0.000 0.368) 2.111 3.546 ( -2.253 0.000 -1.245) 2.575 3.546 ( 2.253 0.000 1.245) 2.575 3.626 ( 0.261 0.000 -1.216) 1.243 3.626 ( -0.261 0.000 1.216) 1.243 3.669 ( -4.703 0.000 -1.527) 4.945 3.669 ( 4.703 0.000 1.527) 4.945 3.706 ( -2.448 0.000 -1.603) 2.927 3.706 ( 2.448 0.000 1.603) 2.927 3.737 ( -1.181 0.000 -8.762) 8.842 3.737 ( 1.181 0.000 8.762) 8.842 4.024 ( -2.294 0.000 0.183) 2.301 4.024 ( 2.294 0.000 -0.183) 2.301 4.189 ( 0.355 0.000 -2.516) 2.541 4.189 ( -0.355 0.000 2.516) 2.541 4.310 ( -10.241 0.000 0.485) 10.253 4.310 ( 10.241 0.000 -0.485) 10.253 4.490 ( -3.131 0.000 -2.952) 4.303 4.490 ( 3.131 0.000 2.952) 4.303 4.737 ( 0.496 0.000 -4.897) 4.923 4.737 ( -0.496 0.000 4.897) 4.923 4.866 ( -6.016 0.000 -3.662) 7.043 4.866 ( 6.016 0.000 3.662) 7.043 5.002 ( 1.228 0.000 -1.659) 2.064 5.002 ( -1.228 0.000 1.659) 2.064 5.267 ( -3.693 0.000 -4.506) 5.826 5.267 ( 3.693 0.000 4.506) 5.826 5.387 ( -0.673 0.000 0.176) 0.695 5.387 ( 0.673 0.000 -0.176) 0.695 5.827 ( 2.458 0.000 -1.327) 2.794 5.827 ( -2.458 0.000 1.327) 2.794 5.860 ( -3.576 0.000 -3.117) 4.744 5.860 ( 3.576 0.000 3.117) 4.744 5.927 ( -0.026 0.000 -4.344) 4.344 5.927 ( 0.026 0.000 4.344) 4.344 6.061 ( -1.215 0.000 -4.753) 4.905 6.061 ( 1.215 0.000 4.753) 4.905 6.344 ( -1.451 0.000 0.043) 1.452 6.344 ( 1.451 0.000 -0.043) 1.452 6.482 ( -6.434 0.000 1.824) 6.688 6.482 ( 6.434 0.000 -1.824) 6.688 6.552 ( 1.861 0.000 -3.809) 4.239 6.552 ( -1.861 0.000 3.809) 4.239 6.746 ( 2.496 0.000 -6.502) 6.964 6.746 ( -2.496 0.000 6.502) 6.964 6.854 ( -8.284 0.000 2.422) 8.631 6.854 ( 8.284 0.000 -2.422) 8.631 7.011 ( 1.491 0.000 -8.598) 8.726 7.011 ( -1.491 0.000 8.598) 8.726 7.173 ( -2.217 0.000 -3.158) 3.859 7.173 ( 2.217 0.000 3.158) 3.859 7.439 ( -4.528 0.000 -2.135) 5.006 7.439 ( 4.528 0.000 2.135) 5.006 7.522 ( -6.903 0.000 -4.132) 8.045 7.522 ( 6.903 0.000 4.132) 8.045 7.716 ( 0.447 0.000 -4.739) 4.760 7.716 ( -0.447 0.000 4.739) 4.760 7.815 ( -4.315 0.000 -1.059) 4.443 7.815 ( 4.315 0.000 1.059) 4.443 8.083 ( 2.696 0.000 -3.145) 4.142 8.083 ( -2.696 0.000 3.145) 4.142 8.126 ( -2.794 0.000 -2.790) 3.948 8.126 ( 2.794 0.000 2.790) 3.948 8.720 ( -4.208 0.000 -5.907) 7.253 8.720 ( 4.208 0.000 5.907) 7.253 8.809 ( 5.491 0.000 -4.665) 7.205 8.809 ( -5.491 0.000 4.665) 7.205 9.266 ( 8.347 0.000 -2.959) 8.856 9.266 ( -8.347 0.000 2.959) 8.856 9.420 ( 3.569 0.000 -3.252) 4.828 9.420 ( -3.569 0.000 3.252) 4.828 9.796 ( 2.035 0.000 -6.978) 7.269 9.796 ( -2.035 0.000 6.978) 7.269 9.835 ( 1.306 0.000 -9.102) 9.195 9.835 ( -1.306 0.000 9.102) 9.195 10.250 ( -3.023 0.000 -2.919) 4.203 10.250 ( 3.023 0.000 2.919) 4.203 11.784 ( -0.744 0.000 -0.467) 0.878 11.784 ( 0.744 0.000 0.467) 0.878 11.932 ( -0.061 0.000 -1.102) 1.103 11.932 ( 0.061 0.000 1.102) 1.103 14.128 ( -0.145 0.000 -9.976) 9.977 14.128 ( 0.145 0.000 9.976) 9.977 14.291 ( -6.969 0.000 1.264) 7.082 14.291 ( 6.969 0.000 -1.264) 7.082 14.453 ( -0.976 0.000 -1.602) 1.876 14.453 ( 0.976 0.000 1.602) 1.876 14.662 ( -1.970 0.000 -0.862) 2.151 14.662 ( 1.970 0.000 0.862) 2.151 14.753 ( 3.726 0.000 -5.077) 6.297 14.753 ( -3.726 0.000 5.077) 6.297 14.851 ( -1.888 0.000 -4.124) 4.535 14.851 ( 1.888 0.000 4.124) 4.535 15.049 ( -0.825 0.000 0.163) 0.841 15.049 ( 0.825 0.000 -0.163) 0.841 15.216 ( -0.580 0.000 -0.806) 0.993 15.216 ( 0.580 0.000 0.806) 0.993 15.543 ( -1.594 0.000 -4.882) 5.135 15.543 ( 1.594 0.000 4.882) 5.135 15.859 ( 3.011 0.000 -4.507) 5.420 15.859 ( -3.011 0.000 4.507) 5.420 16.066 ( -8.803 0.000 -3.607) 9.514 16.066 ( 8.803 0.000 3.607) 9.514 16.845 ( 1.701 0.000 -1.223) 2.096 16.845 ( -1.701 0.000 1.223) 2.096 17.113 ( 0.460 0.000 -0.945) 1.051 17.113 ( -0.460 0.000 0.945) 1.051 17.155 ( 2.529 0.000 -3.992) 4.726 17.155 ( -2.529 0.000 3.992) 4.726 17.409 ( 0.094 0.000 -2.602) 2.604 17.409 ( -0.094 0.000 2.602) 2.604 17.592 ( 0.634 0.000 -6.475) 6.506 17.592 ( -0.634 0.000 6.475) 6.506 17.785 ( -0.190 0.000 -4.342) 4.346 17.785 ( 0.190 0.000 4.342) 4.346 18.478 ( -2.640 0.000 -1.721) 3.152 18.478 ( 2.640 0.000 1.721) 3.152 18.633 ( -4.163 0.000 -3.526) 5.456 18.633 ( 4.163 0.000 3.526) 5.456 18.983 ( -2.931 0.000 -3.731) 4.744 18.983 ( 2.931 0.000 3.731) 4.744 19.559 ( -0.047 0.000 -1.474) 1.475 19.559 ( 0.047 0.000 1.474) 1.475 19.827 ( -0.049 0.000 -2.660) 2.661 19.827 ( 0.049 0.000 2.660) 2.661 20.053 ( -0.006 0.000 -1.445) 1.445 20.053 ( 0.006 0.000 1.445) 1.445 20.412 ( -3.206 0.000 -5.400) 6.280 20.412 ( 3.206 0.000 5.400) 6.280 20.801 ( -5.049 0.000 -10.670) 11.804 20.801 ( 5.049 0.000 10.670) 11.804 21.394 ( -0.482 0.000 -1.486) 1.562 21.394 ( 0.482 0.000 1.486) 1.562 21.752 ( -2.188 0.000 -0.072) 2.189 21.752 ( 2.188 0.000 0.072) 2.189 21.940 ( 0.619 0.000 -0.835) 1.039 21.940 ( -0.619 0.000 0.835) 1.039 22.320 ( -1.642 0.000 0.167) 1.650 22.320 ( 1.642 0.000 -0.167) 1.650 22.797 ( -6.500 0.000 -1.345) 6.638 22.797 ( 6.500 0.000 1.345) 6.638 ======================= Grid point 135 (69/78) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 9.175 3.277 -14.180) 17.205 1.260 ( -9.175 3.277 14.180) 17.205 1.431 ( -7.002 0.904 -5.758) 9.110 1.431 ( 7.002 0.904 5.758) 9.110 1.735 ( -2.866 10.484 -17.632) 20.712 1.735 ( 2.866 10.484 17.632) 20.712 2.230 ( 0.959 1.039 -7.044) 7.184 2.230 ( -0.959 1.039 7.044) 7.184 2.395 ( -1.319 -0.431 -5.739) 5.904 2.395 ( 1.319 -0.431 5.739) 5.904 2.509 ( 0.336 -2.826 -7.329) 7.862 2.509 ( -0.336 -2.826 7.329) 7.862 2.632 ( -5.955 -1.778 -3.117) 6.953 2.632 ( 5.955 -1.778 3.117) 6.953 2.743 ( 1.042 -6.953 -6.189) 9.367 2.743 ( -1.042 -6.953 6.189) 9.367 2.902 ( 3.186 3.464 -5.911) 7.556 2.902 ( -3.186 3.464 5.911) 7.556 3.078 ( -2.556 0.760 -3.650) 4.520 3.078 ( 2.556 0.760 3.650) 4.520 3.117 ( 4.503 4.514 -5.882) 8.675 3.117 ( -4.503 4.514 5.882) 8.675 3.223 ( 0.723 2.253 -16.037) 16.210 3.223 ( -0.723 2.253 16.037) 16.210 3.306 ( 3.314 2.742 -8.235) 9.291 3.306 ( -3.314 2.742 8.235) 9.291 3.400 ( -1.889 2.964 -2.400) 4.255 3.400 ( 1.889 2.964 2.400) 4.255 3.455 ( -3.488 2.105 -1.344) 4.290 3.455 ( 3.488 2.105 1.344) 4.290 3.528 ( 2.210 -1.059 -3.744) 4.475 3.528 ( -2.210 -1.059 3.744) 4.475 3.692 ( -0.992 1.623 -4.904) 5.260 3.692 ( 0.992 1.623 4.904) 5.260 3.785 ( 2.275 -2.259 -1.996) 3.776 3.785 ( -2.275 -2.259 1.996) 3.776 3.863 ( -1.093 -0.001 -4.128) 4.270 3.863 ( 1.093 -0.001 4.128) 4.270 4.086 ( 1.099 0.157 -4.420) 4.557 4.086 ( -1.099 0.157 4.420) 4.557 4.140 ( -3.839 -3.420 -3.800) 6.393 4.140 ( 3.839 -3.420 3.800) 6.393 4.312 ( 1.244 2.571 -6.091) 6.728 4.312 ( -1.244 2.571 6.091) 6.728 4.650 ( -1.204 -2.957 -10.242) 10.728 4.650 ( 1.204 -2.957 10.242) 10.728 4.749 ( 0.370 -5.078 -2.558) 5.698 4.749 ( -0.370 -5.078 2.558) 5.698 4.884 ( -3.325 -0.031 -1.511) 3.653 4.884 ( 3.325 -0.031 1.511) 3.653 4.936 ( -1.441 1.312 -1.468) 2.440 4.936 ( 1.441 1.312 1.468) 2.440 5.328 ( -0.668 -0.700 -0.808) 1.260 5.328 ( 0.668 -0.700 0.808) 1.260 5.513 ( -3.831 -4.053 -6.693) 8.712 5.513 ( 3.831 -4.053 6.693) 8.712 5.666 ( 1.639 1.311 -2.554) 3.306 5.666 ( -1.639 1.311 2.554) 3.306 5.856 ( -3.967 -2.225 -5.716) 7.305 5.856 ( 3.967 -2.225 5.716) 7.305 5.989 ( -0.159 0.601 -1.586) 1.703 5.989 ( 0.159 0.601 1.586) 1.703 6.112 ( -0.931 0.737 -0.459) 1.272 6.112 ( 0.931 0.737 0.459) 1.272 6.174 ( -0.878 -0.453 -5.073) 5.169 6.174 ( 0.878 -0.453 5.073) 5.169 6.323 ( 2.804 0.775 -2.769) 4.016 6.323 ( -2.804 0.775 2.769) 4.016 6.426 ( 0.396 -1.330 -9.160) 9.265 6.426 ( -0.396 -1.330 9.160) 9.265 6.836 ( -3.226 1.329 -9.535) 10.154 6.836 ( 3.226 1.329 9.535) 10.154 6.952 ( -0.299 4.673 -2.060) 5.116 6.952 ( 0.299 4.673 2.060) 5.116 7.136 ( 4.214 -8.452 -2.571) 9.787 7.136 ( -4.214 -8.452 2.571) 9.787 7.250 ( -2.879 -3.284 -2.132) 4.860 7.250 ( 2.879 -3.284 2.132) 4.860 7.317 ( 1.012 -1.065 -2.628) 3.010 7.317 ( -1.012 -1.065 2.628) 3.010 7.432 ( -5.358 3.692 -1.721) 6.731 7.432 ( 5.358 3.692 1.721) 6.731 7.574 ( -2.806 3.741 -5.474) 7.200 7.574 ( 2.806 3.741 5.474) 7.200 7.729 ( 1.252 2.700 -5.476) 6.233 7.729 ( -1.252 2.700 5.476) 6.233 7.967 ( -0.687 -1.570 -2.052) 2.673 7.967 ( 0.687 -1.570 2.052) 2.673 8.236 ( 0.254 4.767 -3.321) 5.815 8.236 ( -0.254 4.767 3.321) 5.815 8.518 ( -2.551 1.423 -5.457) 6.189 8.518 ( 2.551 1.423 5.457) 6.189 8.678 ( 2.462 -0.271 -6.901) 7.332 8.678 ( -2.462 -0.271 6.901) 7.332 9.026 ( 0.436 0.886 -2.012) 2.241 9.026 ( -0.436 0.886 2.012) 2.241 9.447 ( -1.189 -0.752 -4.779) 4.981 9.447 ( 1.189 -0.752 4.779) 4.981 9.787 ( 1.838 0.688 -7.847) 8.089 9.787 ( -1.838 0.688 7.847) 8.089 9.946 ( -1.030 1.969 -1.501) 2.681 9.946 ( 1.030 1.969 1.501) 2.681 10.241 ( 1.264 -3.393 -2.163) 4.217 10.241 ( -1.264 -3.393 2.163) 4.217 11.877 ( -0.637 0.497 -2.511) 2.638 11.877 ( 0.637 0.497 2.511) 2.638 12.025 ( -0.150 -1.771 -1.244) 2.169 12.025 ( 0.150 -1.771 1.244) 2.169 13.737 ( 2.117 0.586 -3.253) 3.925 13.737 ( -2.117 0.586 3.253) 3.925 14.261 ( -0.380 -2.304 -3.276) 4.023 14.261 ( 0.380 -2.304 3.276) 4.023 14.390 ( -1.497 0.920 -1.671) 2.425 14.390 ( 1.497 0.920 1.671) 2.425 14.746 ( -0.687 1.352 -0.598) 1.630 14.746 ( 0.687 1.352 0.598) 1.630 14.851 ( -2.727 -0.419 -2.624) 3.808 14.851 ( 2.727 -0.419 2.624) 3.808 14.954 ( 2.714 -1.105 -3.154) 4.305 14.954 ( -2.714 -1.105 3.154) 4.305 15.054 ( -1.840 0.414 -4.766) 5.126 15.054 ( 1.840 0.414 4.766) 5.126 15.383 ( -0.171 0.016 -3.545) 3.550 15.383 ( 0.171 0.016 3.545) 3.550 15.624 ( -4.514 -0.323 -0.301) 4.536 15.624 ( 4.514 -0.323 0.301) 4.536 15.698 ( -6.084 -2.026 -1.065) 6.501 15.698 ( 6.084 -2.026 1.065) 6.501 16.446 ( -5.460 3.019 -4.733) 7.831 16.446 ( 5.460 3.019 4.733) 7.831 16.625 ( -2.798 -0.753 -2.601) 3.894 16.625 ( 2.798 -0.753 2.601) 3.894 17.105 ( -0.423 -0.615 -0.360) 0.829 17.105 ( 0.423 -0.615 0.360) 0.829 17.292 ( 2.182 -0.594 -3.326) 4.021 17.292 ( -2.182 -0.594 3.326) 4.021 17.357 ( 0.449 0.363 -3.616) 3.662 17.357 ( -0.449 0.363 3.616) 3.662 17.682 ( -3.260 -0.484 -5.975) 6.823 17.682 ( 3.260 -0.484 5.975) 6.823 17.907 ( -4.205 3.185 -2.120) 5.685 17.907 ( 4.205 3.185 2.120) 5.685 18.222 ( -0.628 -1.699 -7.949) 8.153 18.222 ( 0.628 -1.699 7.949) 8.153 18.539 ( -1.283 3.489 -2.025) 4.233 18.539 ( 1.283 3.489 2.025) 4.233 19.169 ( -1.058 -0.396 -0.281) 1.164 19.169 ( 1.058 -0.396 0.281) 1.164 19.454 ( 0.438 1.107 -1.408) 1.844 19.454 ( -0.438 1.107 1.408) 1.844 19.918 ( -4.233 1.861 -4.378) 6.368 19.918 ( 4.233 1.861 4.378) 6.368 19.975 ( -0.008 0.085 -1.291) 1.293 19.975 ( 0.008 0.085 1.291) 1.293 20.629 ( -7.138 1.237 -4.275) 8.412 20.629 ( 7.138 1.237 4.275) 8.412 21.088 ( -13.301 -8.445 -1.475) 15.825 21.088 ( 13.301 -8.445 1.475) 15.825 21.544 ( -2.129 0.922 0.025) 2.321 21.544 ( 2.129 0.922 -0.025) 2.321 21.679 ( -0.925 0.244 -1.220) 1.550 21.679 ( 0.925 0.244 1.220) 1.550 21.881 ( 0.548 2.027 -0.958) 2.308 21.881 ( -0.548 2.027 0.958) 2.308 22.184 ( -0.981 -2.174 -2.088) 3.170 22.184 ( 0.981 -2.174 2.088) 3.170 22.409 ( -0.332 0.417 -1.269) 1.377 22.409 ( 0.332 0.417 1.269) 1.377 ======================= Grid point 137 (70/78) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 3.833 6.630 -15.839) 17.593 1.331 ( 6.139 2.616 -7.003) 9.673 1.414 ( 3.177 5.259 6.035) 8.613 1.508 ( 8.057 11.177 -10.162) 17.120 1.627 ( 7.503 -3.280 2.736) 8.633 1.941 ( 2.605 9.715 4.843) 11.164 2.141 ( 0.188 -2.430 -7.889) 8.257 2.219 ( -9.663 5.077 0.223) 10.917 2.248 ( -0.651 0.906 -8.229) 8.305 2.400 ( 1.146 -0.468 -5.037) 5.187 2.464 ( 0.628 4.851 -4.824) 6.870 2.517 ( 0.453 -9.650 -3.625) 10.319 2.582 ( -0.387 1.721 -0.159) 1.771 2.603 ( 4.640 5.868 -16.028) 17.688 2.654 ( 1.528 -7.174 -7.439) 10.447 2.776 ( -1.348 -3.880 2.121) 4.623 2.840 ( -2.347 3.661 -1.105) 4.487 2.906 ( -1.366 2.234 -0.591) 2.684 2.976 ( -1.696 -1.400 3.658) 4.268 3.011 ( -0.526 2.080 -2.317) 3.158 3.099 ( -2.337 -3.045 -0.551) 3.878 3.125 ( -4.581 1.111 -4.953) 6.838 3.147 ( -1.649 0.873 -2.325) 2.981 3.193 ( -3.532 0.814 -2.460) 4.380 3.245 ( -0.732 3.060 -2.481) 4.007 3.332 ( 0.349 0.937 4.170) 4.288 3.379 ( 3.330 3.826 -0.259) 5.079 3.435 ( -2.342 -0.117 2.631) 3.525 3.553 ( 1.166 -1.158 2.204) 2.749 3.606 ( -1.362 0.924 4.017) 4.341 3.622 ( 3.059 -1.322 2.848) 4.384 3.661 ( 0.958 -2.162 2.799) 3.665 3.666 ( 7.197 -0.118 1.165) 7.292 3.740 ( 1.929 1.959 -0.349) 2.772 3.762 ( 1.138 2.200 2.564) 3.565 3.785 ( -0.894 -1.879 2.738) 3.439 3.811 ( 0.294 1.261 1.629) 2.081 3.875 ( -0.806 -4.457 -2.127) 5.004 4.054 ( 1.055 -0.011 -3.604) 3.755 4.096 ( 4.099 1.047 -0.999) 4.347 4.125 ( -1.416 -2.464 1.658) 3.290 4.201 ( -0.146 0.881 2.317) 2.483 4.262 ( 0.397 5.956 -3.300) 6.820 4.307 ( -2.591 1.598 1.865) 3.570 4.545 ( 1.011 -8.369 -5.476) 10.052 4.707 ( -6.215 5.735 0.237) 8.460 4.751 ( -5.220 -1.864 3.245) 6.423 4.774 ( 1.156 2.067 4.922) 5.462 4.881 ( 0.970 -4.005 7.922) 8.930 4.946 ( 2.099 -1.900 6.123) 6.746 4.981 ( -1.423 -0.633 2.437) 2.892 5.037 ( 3.005 -5.769 7.733) 10.105 5.209 ( -4.456 0.593 -7.783) 8.988 5.302 ( -2.740 -0.860 0.048) 2.872 5.479 ( -2.757 -5.842 4.319) 7.771 5.591 ( -2.525 2.703 -5.403) 6.548 5.647 ( -0.354 -0.172 2.375) 2.408 5.666 ( -0.759 -2.652 2.327) 3.608 5.780 ( -0.790 -6.133 1.174) 6.294 5.892 ( -5.479 2.047 2.321) 6.293 5.953 ( -2.447 -0.924 -0.057) 2.616 6.026 ( -0.322 1.674 2.125) 2.724 6.101 ( -3.102 -1.076 -0.268) 3.295 6.113 ( 3.115 3.331 2.134) 5.035 6.139 ( 0.568 0.833 0.151) 1.019 6.198 ( 2.126 1.433 -3.841) 4.618 6.320 ( 0.280 -0.344 0.407) 0.602 6.348 ( 2.612 -0.467 0.999) 2.836 6.396 ( -1.325 -3.207 5.433) 6.447 6.494 ( -6.275 -0.700 3.933) 7.438 6.635 ( -0.927 2.493 -7.870) 8.307 6.866 ( -0.572 5.955 -7.785) 9.818 6.897 ( -4.061 3.647 -2.016) 5.819 6.950 ( -0.928 2.288 1.396) 2.837 7.061 ( -5.865 -6.621 -0.005) 8.845 7.135 ( -1.361 -3.635 -3.513) 5.235 7.242 ( -2.186 -1.069 1.226) 2.725 7.252 ( 1.222 -3.495 4.045) 5.484 7.322 ( -0.728 0.959 1.307) 1.777 7.389 ( 1.307 2.147 1.485) 2.920 7.404 ( 2.928 -3.571 -0.837) 4.693 7.453 ( 1.591 1.570 -5.479) 5.918 7.556 ( 2.062 -0.881 5.393) 5.840 7.684 ( 1.472 -0.238 0.907) 1.746 7.714 ( 8.779 4.124 -3.705) 10.383 7.800 ( 0.248 3.250 5.378) 6.289 7.928 ( 2.435 -3.939 -4.333) 6.342 8.018 ( 4.155 4.503 -0.983) 6.205 8.181 ( -0.953 4.086 -2.804) 5.046 8.255 ( -1.244 4.376 1.097) 4.679 8.458 ( 0.924 -4.148 -1.375) 4.467 8.660 ( 0.213 -2.830 6.361) 6.965 8.671 ( 7.453 0.701 -2.908) 8.031 8.817 ( 8.072 3.584 6.335) 10.869 9.004 ( -0.633 3.051 -0.760) 3.207 9.048 ( 1.551 1.842 0.143) 2.412 9.450 ( 3.115 -1.940 2.799) 4.616 9.577 ( 5.820 -2.873 2.684) 7.024 9.724 ( 2.879 3.246 -4.222) 6.054 9.848 ( -1.947 2.925 4.928) 6.052 9.898 ( -2.579 1.758 -0.511) 3.163 9.961 ( -1.053 0.643 -0.495) 1.329 10.207 ( -0.176 -2.697 -3.898) 4.744 10.241 ( 0.101 -3.398 -0.254) 3.409 11.827 ( -1.190 1.158 -2.485) 2.989 11.902 ( -1.116 -0.613 1.301) 1.821 11.989 ( -1.585 -1.309 -1.492) 2.540 12.016 ( -2.105 -1.563 -0.325) 2.642 13.775 ( 4.123 -0.286 1.820) 4.516 13.797 ( 6.058 -0.385 1.431) 6.237 14.215 ( -0.481 -1.520 -2.664) 3.104 14.315 ( 0.863 -3.471 2.426) 4.322 14.373 ( 0.435 1.874 1.340) 2.345 14.445 ( 1.239 0.584 3.357) 3.626 14.715 ( -1.334 1.685 -1.602) 2.680 14.743 ( -2.009 -1.131 -4.537) 5.088 14.754 ( -1.750 2.069 -0.796) 2.824 14.873 ( -0.090 -0.096 -1.914) 1.918 14.908 ( -3.396 -0.622 -1.794) 3.891 14.943 ( 0.897 0.473 -1.865) 2.122 15.011 ( 1.402 -1.354 -3.237) 3.779 15.131 ( -1.896 -1.551 3.922) 4.625 15.328 ( -1.437 -0.958 -0.172) 1.735 15.403 ( -3.724 -0.686 1.736) 4.166 15.530 ( -5.185 1.176 0.096) 5.318 15.627 ( 0.109 -0.452 -0.163) 0.493 15.713 ( 5.136 0.157 0.288) 5.147 15.790 ( 6.072 -1.772 -3.192) 7.085 16.277 ( -6.502 4.183 -6.632) 10.186 16.530 ( -4.325 -1.341 -3.404) 5.665 16.582 ( 4.625 1.625 4.295) 6.517 16.696 ( 2.566 -0.068 1.931) 3.213 17.109 ( -0.109 -0.351 1.546) 1.589 17.130 ( 0.751 0.424 1.492) 1.723 17.250 ( -2.133 0.181 -0.822) 2.293 17.315 ( -1.390 0.160 -1.171) 1.824 17.318 ( 1.711 0.544 -1.255) 2.191 17.396 ( -0.509 -0.702 3.003) 3.126 17.534 ( -4.144 -0.260 -5.348) 6.771 17.774 ( 2.532 -4.712 -0.351) 5.361 17.831 ( -3.921 2.488 0.015) 4.643 18.035 ( 4.393 0.006 4.092) 6.004 18.144 ( -1.150 3.428 0.388) 3.636 18.342 ( 1.308 -0.084 6.937) 7.060 18.518 ( 0.786 4.542 -0.668) 4.657 18.612 ( 2.403 2.143 4.140) 5.245 19.176 ( -0.724 0.745 0.542) 1.172 19.247 ( 4.616 -0.807 3.853) 6.066 19.415 ( -0.622 0.593 -1.953) 2.133 19.435 ( -1.116 0.806 -0.613) 1.507 19.827 ( -1.927 2.768 -1.573) 3.722 19.954 ( -1.088 -0.093 -1.014) 1.490 19.987 ( -0.235 -0.275 2.178) 2.207 20.049 ( 3.554 -0.118 4.005) 5.356 20.447 ( -8.683 0.022 -3.887) 9.513 20.718 ( -20.797 -7.985 -6.887) 23.317 20.770 ( 0.468 3.852 1.998) 4.364 21.180 ( -0.229 -7.006 -0.780) 7.053 21.502 ( -3.379 2.205 -0.601) 4.079 21.576 ( 1.023 0.268 -1.062) 1.499 21.630 ( -0.774 0.895 -1.622) 2.008 21.697 ( 0.882 -1.850 0.506) 2.112 21.871 ( -0.777 1.607 1.109) 2.102 21.909 ( 2.133 3.099 -0.191) 3.766 22.169 ( 2.008 -2.240 -0.169) 3.013 22.254 ( 2.814 0.305 1.215) 3.080 22.451 ( 5.561 -0.932 0.372) 5.651 22.535 ( 11.982 -2.549 1.983) 12.409 ======================= Grid point 138 (71/78) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 16.820 9.166 -5.949) 20.058 1.269 ( 12.115 13.200 -16.870) 24.609 1.485 ( 2.736 3.401 0.359) 4.380 1.660 ( 6.108 5.312 1.623) 8.256 1.754 ( 9.887 2.555 -2.403) 10.491 1.925 ( -0.429 4.731 -8.697) 9.910 2.026 ( -7.910 0.261 0.870) 7.962 2.149 ( 4.510 1.349 1.205) 4.859 2.224 ( 12.760 3.848 -8.875) 16.013 2.268 ( 6.844 10.092 -17.517) 21.344 2.336 ( -2.959 -1.954 -5.265) 6.348 2.447 ( -0.057 -7.983 -14.386) 16.453 2.555 ( 1.938 -2.590 0.758) 3.323 2.597 ( -4.954 -3.445 -0.541) 6.059 2.623 ( 5.333 1.122 -0.930) 5.529 2.703 ( -1.028 -1.062 -4.937) 5.153 2.823 ( -5.111 1.181 0.205) 5.250 2.844 ( -2.073 3.328 -1.406) 4.165 2.906 ( -6.812 0.580 0.208) 6.840 3.053 ( -5.354 -4.404 5.332) 8.746 3.077 ( -3.369 -1.839 2.007) 4.331 3.099 ( -0.189 -1.120 1.351) 1.765 3.117 ( 0.973 -3.567 2.836) 4.660 3.122 ( 0.520 2.484 2.946) 3.888 3.221 ( -2.858 7.091 -2.489) 8.040 3.324 ( 2.407 5.056 -0.211) 5.604 3.396 ( -1.767 -3.937 1.361) 4.524 3.469 ( 2.156 -1.739 0.577) 2.829 3.510 ( -3.132 -3.896 -0.741) 5.054 3.591 ( -1.308 1.057 -0.493) 1.753 3.638 ( 0.763 -2.688 -3.517) 4.492 3.666 ( -0.390 -3.337 -4.299) 5.456 3.676 ( -3.357 -3.767 1.193) 5.185 3.758 ( -0.212 0.949 -1.058) 1.437 3.785 ( -1.079 -3.752 -2.871) 4.846 3.839 ( 5.843 0.195 -4.173) 7.183 3.845 ( 3.130 5.013 1.879) 6.201 3.929 ( 1.674 0.522 -3.101) 3.563 4.012 ( -0.939 1.877 2.014) 2.908 4.063 ( 1.923 4.258 -1.429) 4.886 4.154 ( 0.306 2.987 -4.100) 5.082 4.211 ( 2.819 -0.234 -1.794) 3.349 4.240 ( -0.114 1.196 2.260) 2.559 4.437 ( 0.818 2.022 10.415) 10.641 4.502 ( -1.058 -5.950 0.621) 6.075 4.604 ( -6.264 10.214 3.496) 12.481 4.722 ( -7.724 -2.693 5.148) 9.665 4.821 ( -5.863 1.135 1.084) 6.070 4.891 ( -5.553 -0.385 -1.203) 5.695 4.950 ( -2.480 -2.680 -2.467) 4.407 4.997 ( -4.072 -6.506 -0.535) 7.694 5.071 ( -1.088 3.879 2.054) 4.522 5.224 ( -1.026 0.900 0.604) 1.493 5.272 ( 1.587 -6.699 8.490) 10.931 5.408 ( -5.776 -7.563 2.431) 9.822 5.587 ( 0.143 -1.171 0.406) 1.248 5.627 ( -6.966 -9.141 -0.499) 11.504 5.696 ( 3.496 -0.606 4.612) 5.819 5.782 ( -0.631 -3.383 -0.245) 3.450 5.847 ( -1.889 2.028 1.213) 3.025 5.944 ( -0.715 2.672 3.185) 4.218 5.975 ( -2.810 1.885 -0.030) 3.384 6.077 ( -4.536 9.036 3.240) 10.617 6.146 ( 6.958 -1.839 -3.819) 8.147 6.229 ( -0.906 4.949 -0.811) 5.096 6.247 ( 4.339 -2.236 6.885) 8.440 6.315 ( 4.630 -3.460 -3.009) 6.516 6.416 ( -0.339 1.730 5.732) 5.997 6.451 ( -2.797 -0.144 6.599) 7.168 6.467 ( -0.914 -2.174 5.464) 5.951 6.605 ( 2.362 0.436 -1.770) 2.984 6.735 ( -0.975 4.146 -7.164) 8.335 6.822 ( -3.262 4.002 -0.056) 5.163 6.918 ( -2.559 -1.895 -0.038) 3.184 7.000 ( -3.006 -4.072 -1.297) 5.225 7.048 ( -3.452 -1.248 -0.981) 3.800 7.244 ( 0.547 1.328 0.153) 1.444 7.288 ( 1.117 -1.203 -1.492) 2.218 7.339 ( -0.344 7.171 -0.644) 7.208 7.381 ( 0.153 -3.303 0.746) 3.390 7.410 ( 1.492 -0.226 1.730) 2.296 7.533 ( 5.506 -4.074 1.300) 6.971 7.634 ( 0.580 -2.435 3.205) 4.067 7.701 ( 1.880 -1.439 0.223) 2.378 7.816 ( 6.295 1.304 -1.694) 6.648 7.860 ( 0.650 5.371 1.540) 5.625 7.939 ( 7.008 -5.328 -5.186) 10.218 8.073 ( 2.562 9.533 1.639) 10.007 8.137 ( -0.325 1.514 -2.514) 2.952 8.246 ( -0.274 3.839 -0.195) 3.854 8.481 ( 1.729 -5.719 1.518) 6.165 8.700 ( -3.228 -6.982 5.002) 9.176 8.787 ( 10.352 0.991 -3.837) 11.084 8.942 ( -1.210 3.405 1.446) 3.892 9.020 ( 3.030 -1.124 -0.514) 3.272 9.116 ( 4.113 5.819 4.392) 8.371 9.553 ( 2.313 -2.650 0.574) 3.564 9.608 ( 2.830 -2.057 -1.636) 3.862 9.803 ( -2.864 2.412 0.426) 3.769 9.816 ( -1.961 5.417 2.877) 6.440 9.889 ( -1.151 -1.092 -4.194) 4.484 9.918 ( 3.288 2.972 1.859) 4.806 10.142 ( -1.024 -0.936 -3.379) 3.653 10.256 ( 1.508 -2.895 0.551) 3.310 11.787 ( -0.402 1.408 -1.222) 1.907 11.869 ( -2.789 -0.799 -1.191) 3.136 11.949 ( -1.804 -0.626 -0.671) 2.024 11.973 ( -1.256 -0.883 -1.196) 1.947 13.880 ( 3.729 -0.022 4.492) 5.838 13.985 ( 11.244 -5.892 4.639) 13.515 14.182 ( 0.175 -0.256 -1.299) 1.335 14.333 ( -2.005 -4.890 1.524) 5.500 14.431 ( 2.604 1.446 2.269) 3.744 14.527 ( 1.400 2.931 5.042) 5.998 14.629 ( -1.830 -1.519 -4.739) 5.303 14.672 ( -0.779 1.186 -2.172) 2.594 14.733 ( 0.075 1.889 -1.349) 2.322 14.828 ( -3.927 0.064 -2.883) 4.872 14.846 ( -1.259 -0.115 -1.616) 2.051 14.868 ( -1.234 3.781 -4.345) 5.891 15.002 ( 2.220 -5.233 -2.511) 6.214 15.115 ( -3.265 -1.445 0.295) 3.583 15.278 ( -3.759 0.174 -1.985) 4.254 15.337 ( -3.644 -0.808 0.895) 3.839 15.553 ( 0.386 1.649 3.757) 4.121 15.661 ( 2.876 -0.336 1.915) 3.471 15.761 ( 1.400 -0.000 -2.769) 3.103 15.804 ( 4.709 -0.691 -4.963) 6.877 16.091 ( -3.814 6.507 -7.253) 10.464 16.403 ( -5.385 -1.536 -4.046) 6.908 16.706 ( 3.930 0.286 4.061) 5.658 16.761 ( 2.624 0.427 1.841) 3.233 17.131 ( -0.860 0.453 1.795) 2.041 17.151 ( 0.026 1.827 0.924) 2.048 17.205 ( -1.012 2.626 -2.341) 3.661 17.289 ( 1.247 1.377 -2.411) 3.044 17.306 ( -3.799 0.191 2.145) 4.367 17.415 ( -0.862 -2.198 1.236) 2.665 17.444 ( -0.145 -3.094 -2.031) 3.703 17.760 ( -0.985 -3.327 -2.462) 4.255 17.789 ( -0.861 0.313 -0.882) 1.271 18.083 ( 0.185 -2.049 -1.312) 2.440 18.197 ( -2.100 6.740 8.245) 10.854 18.439 ( 0.723 0.317 4.746) 4.812 18.541 ( 2.579 4.868 -0.020) 5.509 18.706 ( 2.186 1.781 4.116) 4.990 19.085 ( -7.761 1.441 -3.184) 8.511 19.248 ( -5.732 -1.196 -2.851) 6.513 19.464 ( 4.231 0.565 1.960) 4.697 19.529 ( 7.894 -0.911 4.258) 9.015 19.796 ( -1.628 0.962 0.357) 1.924 19.892 ( -4.557 -0.934 -1.990) 5.060 20.021 ( 0.625 -0.262 2.143) 2.248 20.128 ( 0.809 -3.570 0.473) 3.691 20.279 ( -5.697 0.256 -1.785) 5.976 20.332 ( -8.530 0.765 -3.039) 9.088 20.792 ( -2.237 2.526 -0.462) 3.405 21.111 ( -4.648 -5.289 -2.901) 7.615 21.434 ( -3.543 2.333 -0.566) 4.279 21.511 ( -3.355 0.271 -2.472) 4.176 21.659 ( 2.990 0.541 0.407) 3.066 21.731 ( 1.567 -2.471 1.199) 3.163 21.884 ( 0.905 1.459 0.793) 1.891 21.940 ( 1.973 2.885 -0.211) 3.501 22.222 ( 4.766 -0.469 -0.391) 4.804 22.308 ( 2.317 1.543 0.971) 2.948 22.550 ( 6.590 -1.194 0.084) 6.698 22.748 ( 7.040 -6.963 4.131) 10.729 ======================= Grid point 139 (72/78) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 14.726 10.349 -14.219) 22.938 1.381 ( 17.087 12.976 -6.879) 22.531 1.452 ( -3.303 3.661 -2.430) 5.497 1.687 ( -3.274 11.722 0.942) 12.207 1.886 ( 8.515 -1.583 0.249) 8.665 1.943 ( 5.942 1.358 5.025) 7.900 2.039 ( 3.196 2.990 4.574) 6.330 2.129 ( 2.039 2.494 -6.780) 7.507 2.170 ( -2.577 -3.241 -4.963) 6.463 2.239 ( 5.635 3.162 -8.078) 10.344 2.321 ( 1.862 1.210 0.668) 2.319 2.381 ( 3.678 -7.835 -2.239) 8.940 2.499 ( -1.146 -3.152 -2.360) 4.101 2.597 ( -2.976 0.875 -2.404) 3.925 2.603 ( 1.504 -1.780 0.358) 2.358 2.684 ( -2.315 -0.235 -5.142) 5.644 2.742 ( 7.196 0.682 -2.349) 7.600 2.829 ( -4.939 0.333 1.241) 5.103 2.865 ( -10.865 -5.625 -3.816) 12.816 2.894 ( 4.846 0.383 3.035) 5.730 3.012 ( -5.588 4.348 -3.416) 7.861 3.066 ( -0.425 -0.003 -0.503) 0.658 3.120 ( -0.805 -1.901 -0.070) 2.066 3.245 ( -1.438 0.439 11.563) 11.661 3.318 ( 1.909 -1.526 6.087) 6.559 3.382 ( 2.748 -4.488 2.437) 5.800 3.425 ( 1.082 0.345 1.424) 1.821 3.462 ( -3.453 -4.058 -0.220) 5.333 3.486 ( -0.611 4.197 -4.614) 6.267 3.526 ( 0.165 1.837 -2.048) 2.756 3.567 ( -4.479 -5.220 0.685) 6.912 3.621 ( -0.066 0.659 -2.529) 2.614 3.658 ( -2.931 -2.050 0.200) 3.582 3.679 ( -0.963 -2.981 -5.174) 6.048 3.717 ( 1.908 -1.529 -1.592) 2.918 3.794 ( 0.529 7.123 -7.208) 10.147 3.888 ( -0.964 9.457 -1.312) 9.596 3.928 ( 3.326 3.057 -3.163) 5.514 3.965 ( -0.708 -2.003 -3.162) 3.809 4.102 ( -5.409 -0.641 -2.357) 5.935 4.153 ( 6.516 3.632 3.029) 8.052 4.227 ( 2.518 2.740 -1.131) 3.889 4.251 ( -0.435 -0.102 -0.198) 0.488 4.459 ( -0.736 -1.339 0.741) 1.698 4.503 ( -12.905 4.050 -0.371) 13.530 4.603 ( -0.560 1.286 10.072) 10.169 4.644 ( -4.379 1.552 4.263) 6.305 4.770 ( -1.020 -1.265 0.159) 1.633 4.808 ( -2.931 3.250 -2.109) 4.858 4.902 ( 0.722 -3.646 -0.294) 3.728 4.915 ( -4.438 -6.130 -1.620) 7.739 5.022 ( -3.461 1.286 -0.389) 3.713 5.179 ( -1.012 -3.529 -0.188) 3.676 5.330 ( -7.950 -7.372 -5.545) 12.177 5.386 ( -2.753 -3.131 4.453) 6.100 5.489 ( -1.214 -9.769 0.901) 9.886 5.658 ( 1.405 -5.644 4.526) 7.370 5.737 ( -0.332 -1.259 -4.940) 5.109 5.791 ( 1.188 1.810 1.281) 2.516 5.891 ( 2.071 2.185 4.320) 5.265 5.932 ( -1.114 1.379 0.102) 1.776 6.034 ( -4.079 9.610 3.908) 11.147 6.046 ( 3.435 3.948 2.450) 5.779 6.196 ( 0.686 4.925 -2.189) 5.433 6.255 ( 5.030 -3.284 0.355) 6.017 6.343 ( 2.495 -4.137 -2.120) 5.276 6.408 ( 2.088 0.395 5.762) 6.141 6.453 ( -2.392 2.558 7.381) 8.170 6.484 ( -2.398 -4.663 9.720) 11.044 6.572 ( 2.998 0.165 -0.469) 3.039 6.628 ( 1.007 -0.426 0.247) 1.121 6.687 ( 1.345 -3.552 -0.547) 3.838 6.786 ( 2.957 0.963 -3.582) 4.744 6.896 ( -2.489 -4.759 0.141) 5.373 6.949 ( -3.916 -0.069 4.320) 5.831 7.010 ( -0.757 -2.808 -0.282) 2.922 7.224 ( 0.005 2.316 -4.504) 5.065 7.281 ( 0.300 3.147 -3.520) 4.732 7.337 ( -0.725 -1.741 1.375) 2.334 7.385 ( 2.564 2.420 2.707) 4.445 7.508 ( 1.252 3.710 6.142) 7.284 7.610 ( 3.158 -0.978 -0.438) 3.334 7.682 ( 2.812 -1.209 0.661) 3.132 7.737 ( 1.838 -0.382 1.091) 2.171 7.841 ( -2.820 1.264 -0.757) 3.182 7.856 ( 1.575 3.564 -2.761) 4.775 7.993 ( 7.759 -5.051 -4.095) 10.124 8.095 ( -2.552 0.837 0.192) 2.693 8.130 ( 1.266 7.418 1.487) 7.670 8.232 ( -0.509 3.947 -1.721) 4.336 8.557 ( 1.677 -4.318 5.688) 7.335 8.701 ( -0.981 -8.551 0.209) 8.610 8.840 ( 3.081 1.556 -3.338) 4.801 8.910 ( -3.079 4.898 -1.652) 6.016 9.081 ( 6.564 -1.813 1.141) 6.904 9.226 ( 2.844 0.076 3.088) 4.199 9.510 ( 1.337 1.551 -7.869) 8.131 9.611 ( -8.294 0.038 -3.076) 8.846 9.666 ( -3.895 -1.650 5.075) 6.607 9.806 ( 0.570 -3.750 -8.066) 8.913 9.870 ( -1.060 6.748 5.451) 8.740 9.991 ( 2.840 4.892 -3.360) 6.580 10.141 ( 1.974 -0.732 3.630) 4.196 10.277 ( 0.279 -2.257 -0.613) 2.355 11.783 ( 0.593 1.439 0.124) 1.561 11.819 ( -1.165 0.754 -1.098) 1.770 11.923 ( -0.951 -0.574 0.231) 1.135 11.946 ( -0.588 -0.836 -1.087) 1.492 14.001 ( 1.914 0.092 6.626) 6.898 14.151 ( 4.632 -7.194 -1.678) 8.720 14.198 ( 3.676 -0.777 -0.801) 3.842 14.308 ( -3.904 -4.267 1.979) 6.113 14.461 ( -0.477 1.141 -0.837) 1.493 14.508 ( -3.253 0.217 -2.253) 3.963 14.658 ( 2.663 1.369 1.102) 3.190 14.676 ( 1.799 -0.703 3.515) 4.011 14.734 ( -1.125 3.389 2.156) 4.171 14.749 ( 0.599 2.266 -1.041) 2.565 14.793 ( 0.108 0.913 -2.597) 2.755 14.864 ( 2.166 -0.461 -0.419) 2.254 15.000 ( 1.176 -3.590 -0.563) 3.819 15.059 ( -0.615 -1.278 -2.104) 2.537 15.233 ( -1.212 1.158 -0.496) 1.748 15.280 ( -3.880 0.458 -0.909) 4.012 15.549 ( -2.822 1.605 0.501) 3.285 15.685 ( -1.473 1.348 -6.841) 7.126 15.758 ( 1.524 -3.363 5.012) 6.225 15.811 ( 3.775 -2.275 -4.213) 6.097 16.025 ( 3.623 7.393 -1.736) 8.414 16.261 ( -6.183 0.436 -3.739) 7.239 16.801 ( 2.939 -0.330 1.814) 3.469 16.821 ( 1.422 0.192 2.020) 2.478 17.118 ( -1.171 0.661 -0.079) 1.347 17.153 ( -1.525 2.203 -1.736) 3.193 17.179 ( 0.688 3.409 1.476) 3.778 17.249 ( -0.029 5.573 -3.225) 6.439 17.319 ( -1.275 -3.552 4.073) 5.553 17.400 ( -0.952 -2.881 -1.210) 3.266 17.468 ( 2.058 -4.210 2.480) 5.302 17.678 ( -2.435 -5.370 -5.621) 8.146 17.796 ( 0.675 5.383 2.499) 5.973 18.000 ( -5.625 9.130 -3.312) 11.224 18.306 ( 4.663 -3.876 4.787) 7.725 18.480 ( -1.848 -1.557 2.402) 3.408 18.593 ( 3.407 4.680 0.944) 5.865 18.765 ( -0.053 3.875 -0.279) 3.885 18.932 ( -5.095 -1.749 -0.766) 5.441 19.090 ( -5.837 -2.186 -5.031) 8.010 19.536 ( 1.940 0.434 0.334) 2.016 19.585 ( 0.540 -0.818 -3.407) 3.545 19.796 ( -0.111 0.555 2.380) 2.447 19.848 ( -0.269 -0.154 0.675) 0.743 20.044 ( 0.323 -0.255 0.053) 0.415 20.084 ( 0.385 -1.024 -3.471) 3.639 20.300 ( -0.282 0.485 6.070) 6.096 20.379 ( 2.858 -1.811 9.417) 10.007 20.714 ( -3.121 2.485 -1.786) 4.371 20.969 ( -5.367 -4.056 -6.645) 9.456 21.395 ( -1.481 1.293 0.552) 2.042 21.438 ( -2.154 0.175 -1.745) 2.778 21.711 ( 2.611 0.324 0.594) 2.697 21.759 ( -0.176 -1.323 0.945) 1.635 21.918 ( 1.898 0.926 0.630) 2.204 21.958 ( 0.652 1.728 -0.291) 1.870 22.290 ( 4.128 1.162 -0.121) 4.290 22.343 ( 0.609 1.700 0.496) 1.873 22.654 ( 6.204 -1.945 0.753) 6.545 22.819 ( -1.520 -6.396 0.742) 6.616 ======================= Grid point 140 (73/78) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 12.114 8.999 -9.793) 17.989 1.327 ( -12.114 8.999 9.793) 17.989 1.580 ( -3.103 11.469 -2.295) 12.101 1.580 ( 3.103 11.469 2.295) 12.101 1.990 ( -1.300 -2.957 -4.343) 5.412 1.990 ( 1.300 -2.957 4.343) 5.412 2.083 ( -4.276 -2.199 -2.684) 5.507 2.083 ( 4.276 -2.199 2.684) 5.507 2.225 ( -3.387 -0.535 -10.774) 11.306 2.225 ( 3.387 -0.535 10.774) 11.306 2.391 ( 0.427 3.433 -3.592) 4.987 2.391 ( -0.427 3.433 3.592) 4.987 2.492 ( -2.355 -2.098 -2.965) 4.329 2.492 ( 2.355 -2.098 2.965) 4.329 2.642 ( -6.094 -6.082 0.278) 8.614 2.642 ( 6.094 -6.082 -0.278) 8.614 2.723 ( -4.026 1.932 -3.678) 5.785 2.723 ( 4.026 1.932 3.678) 5.785 2.864 ( -6.254 0.864 -2.559) 6.813 2.864 ( 6.254 0.864 2.559) 6.813 3.056 ( -3.046 -1.264 -3.536) 4.835 3.056 ( 3.046 -1.264 3.536) 4.835 3.199 ( -8.131 3.588 -12.406) 15.261 3.199 ( 8.131 3.588 12.406) 15.261 3.354 ( 1.926 -2.109 -7.673) 8.187 3.354 ( -1.926 -2.109 7.673) 8.187 3.425 ( -2.481 -1.462 -5.781) 6.458 3.425 ( 2.481 -1.462 5.781) 6.458 3.530 ( -2.202 -3.612 -2.947) 5.155 3.530 ( 2.202 -3.612 2.947) 5.155 3.556 ( -2.020 -2.098 -5.662) 6.367 3.556 ( 2.020 -2.098 5.662) 6.367 3.644 ( -0.814 1.455 -7.613) 7.794 3.644 ( 0.814 1.455 7.613) 7.794 3.754 ( 1.312 1.110 -4.682) 4.988 3.754 ( -1.312 1.110 4.682) 4.988 3.862 ( -0.940 10.032 -0.559) 10.091 3.862 ( 0.940 10.032 0.559) 10.091 3.989 ( 0.294 -2.155 -2.865) 3.597 3.989 ( -0.294 -2.155 2.865) 3.597 4.241 ( 1.444 1.929 -1.861) 3.044 4.241 ( -1.444 1.929 1.861) 3.044 4.318 ( -9.361 2.193 -1.205) 9.689 4.318 ( 9.361 2.193 1.205) 9.689 4.530 ( -3.776 3.903 -4.924) 7.331 4.530 ( 3.776 3.903 4.924) 7.331 4.723 ( -0.462 -1.441 -5.945) 6.134 4.723 ( 0.462 -1.441 5.945) 6.134 4.824 ( -2.615 -3.346 -1.877) 4.643 4.824 ( 2.615 -3.346 1.877) 4.643 4.978 ( -3.036 -2.135 -3.835) 5.337 4.978 ( 3.036 -2.135 3.835) 5.337 5.170 ( -0.822 -6.142 -2.176) 6.568 5.170 ( 0.822 -6.142 2.176) 6.568 5.438 ( -1.395 -0.524 -4.939) 5.159 5.438 ( 1.395 -0.524 4.939) 5.159 5.696 ( 2.202 -6.727 -2.925) 7.659 5.696 ( -2.202 -6.727 2.925) 7.659 5.868 ( -3.005 1.030 -2.945) 4.331 5.868 ( 3.005 1.030 2.945) 4.331 5.985 ( -2.988 5.086 -2.482) 6.400 5.985 ( 2.988 5.086 2.482) 6.400 6.142 ( -3.054 4.324 -2.317) 5.779 6.142 ( 3.054 4.324 2.317) 5.779 6.312 ( 0.267 -2.868 -2.026) 3.522 6.312 ( -0.267 -2.868 2.026) 3.522 6.502 ( 4.958 0.238 -7.904) 9.333 6.502 ( -4.958 0.238 7.904) 9.333 6.544 ( 0.217 0.289 -1.642) 1.681 6.544 ( -0.217 0.289 1.642) 1.681 6.679 ( 2.857 -5.614 -7.010) 9.424 6.679 ( -2.857 -5.614 7.010) 9.424 6.839 ( 1.876 -1.494 -3.245) 4.036 6.839 ( -1.876 -1.494 3.245) 4.036 6.983 ( 1.502 -3.122 -5.896) 6.838 6.983 ( -1.502 -3.122 5.896) 6.838 7.199 ( -2.639 2.963 -0.751) 4.038 7.199 ( 2.639 2.963 0.751) 4.038 7.404 ( 0.128 0.036 -3.447) 3.450 7.404 ( -0.128 0.036 3.447) 3.450 7.598 ( -1.716 3.783 -2.798) 5.009 7.598 ( 1.716 3.783 2.798) 5.009 7.749 ( -4.135 2.559 -0.914) 4.948 7.749 ( 4.135 2.559 0.914) 4.948 7.811 ( -2.176 0.267 -2.126) 3.054 7.811 ( 2.176 0.267 2.126) 3.054 8.052 ( 4.776 -3.195 -3.527) 6.742 8.052 ( -4.776 -3.195 3.527) 6.742 8.180 ( -2.162 5.634 -2.287) 6.454 8.180 ( 2.162 5.634 2.287) 6.454 8.659 ( 1.154 -6.974 -7.048) 9.982 8.659 ( -1.154 -6.974 7.048) 9.982 8.845 ( 4.928 5.080 -5.627) 9.042 8.845 ( -4.928 5.080 5.627) 9.042 9.222 ( -3.391 -3.900 -4.213) 6.668 9.222 ( 3.391 -3.900 4.213) 6.668 9.472 ( -4.035 3.503 -0.463) 5.364 9.472 ( 4.035 3.503 0.463) 5.364 9.712 ( 2.390 -4.434 -8.198) 9.622 9.712 ( -2.390 -4.434 8.198) 9.622 9.940 ( 0.994 6.926 -6.570) 9.598 9.940 ( -0.994 6.926 6.570) 9.598 10.234 ( -2.222 -1.781 -3.306) 4.363 10.234 ( 2.222 -1.781 3.306) 4.363 11.798 ( -0.623 1.323 -0.438) 1.527 11.798 ( 0.623 1.323 0.438) 1.527 11.925 ( -0.092 -0.693 -0.967) 1.193 11.925 ( 0.092 -0.693 0.967) 1.193 14.109 ( 1.064 -1.693 -8.142) 8.384 14.109 ( -1.064 -1.693 8.142) 8.384 14.262 ( 1.079 -2.668 -1.765) 3.376 14.262 ( -1.079 -2.668 1.765) 3.376 14.450 ( -0.321 -0.104 -1.075) 1.126 14.450 ( 0.321 -0.104 1.075) 1.126 14.689 ( -0.623 2.237 -1.305) 2.663 14.689 ( 0.623 2.237 1.305) 2.663 14.755 ( 2.909 0.224 -2.915) 4.124 14.755 ( -2.909 0.224 2.915) 4.124 14.842 ( -2.995 -0.939 -2.293) 3.887 14.842 ( 2.995 -0.939 2.293) 3.887 15.042 ( -0.797 -0.524 -1.517) 1.792 15.042 ( 0.797 -0.524 1.517) 1.792 15.217 ( -0.125 0.150 -1.311) 1.326 15.217 ( 0.125 0.150 1.311) 1.326 15.568 ( -0.980 2.505 -5.469) 6.094 15.568 ( 0.980 2.505 5.469) 6.094 15.810 ( 2.853 -4.375 -4.411) 6.837 15.810 ( -2.853 -4.375 4.411) 6.837 16.119 ( -6.618 4.364 -2.233) 8.236 16.119 ( 6.618 4.364 2.233) 8.236 16.842 ( 1.092 -0.268 -0.919) 1.452 16.842 ( -1.092 -0.268 0.919) 1.452 17.116 ( -0.137 1.088 -1.271) 1.679 17.116 ( 0.137 1.088 1.271) 1.679 17.212 ( 1.853 5.087 -3.922) 6.685 17.212 ( -1.853 5.087 3.922) 6.685 17.360 ( 0.153 -4.035 -3.413) 5.287 17.360 ( -0.153 -4.035 3.413) 5.287 17.559 ( -2.003 -3.775 -5.661) 7.092 17.559 ( 2.003 -3.775 5.661) 7.092 17.873 ( -2.935 8.282 -4.433) 9.841 17.873 ( 2.935 8.282 4.433) 9.841 18.434 ( -5.333 -4.436 -1.219) 7.043 18.434 ( 5.333 -4.436 1.219) 7.043 18.678 ( -4.101 4.498 -3.394) 6.969 18.678 ( 4.101 4.498 3.394) 6.969 18.960 ( -2.998 -2.435 -3.874) 5.471 18.960 ( 2.998 -2.435 3.874) 5.471 19.553 ( -0.169 -0.561 -1.081) 1.230 19.553 ( 0.169 -0.561 1.081) 1.230 19.837 ( -0.241 0.859 -2.057) 2.242 19.837 ( 0.241 0.859 2.057) 2.242 20.054 ( -0.159 0.094 -1.363) 1.375 20.054 ( 0.159 0.094 1.363) 1.375 20.410 ( -2.694 -0.227 -4.611) 5.345 20.410 ( 2.694 -0.227 4.611) 5.345 20.779 ( -4.336 -1.962 -8.832) 10.033 20.779 ( 4.336 -1.962 8.832) 10.033 21.399 ( -0.419 0.491 -1.155) 1.323 21.399 ( 0.419 0.491 1.155) 1.323 21.750 ( -1.726 -0.202 0.021) 1.738 21.750 ( 1.726 -0.202 -0.021) 1.738 21.950 ( -0.550 0.870 -0.767) 1.283 21.950 ( 0.550 0.870 0.767) 1.283 22.337 ( -1.778 1.717 0.048) 2.472 22.337 ( 1.778 1.717 -0.048) 2.472 22.757 ( -4.988 -3.824 -1.208) 6.401 22.757 ( 4.988 -3.824 1.208) 6.401 ======================= Grid point 145 (74/78) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 7.093 4.757 -10.211) 13.312 1.340 ( -7.093 4.757 10.211) 13.312 1.416 ( 2.065 -2.692 -7.860) 8.561 1.416 ( -2.065 -2.692 7.860) 8.561 1.976 ( -1.565 14.015 -13.774) 19.713 1.976 ( 1.565 14.015 13.774) 19.713 2.225 ( -0.108 -7.847 -11.108) 13.601 2.225 ( 0.108 -7.847 11.108) 13.601 2.366 ( -2.935 2.868 -6.134) 7.380 2.366 ( 2.935 2.868 6.134) 7.380 2.455 ( -2.663 -3.264 -9.981) 10.834 2.455 ( 2.663 -3.264 9.981) 10.834 2.602 ( -1.798 -1.151 -4.327) 4.825 2.602 ( 1.798 -1.151 4.327) 4.825 2.656 ( 0.652 -1.980 -4.331) 4.806 2.656 ( -0.652 -1.980 4.331) 4.806 2.952 ( -0.946 1.287 -1.620) 2.275 2.952 ( 0.946 1.287 1.620) 2.275 3.097 ( -2.659 1.744 -0.584) 3.233 3.097 ( 2.659 1.744 0.584) 3.233 3.152 ( -0.256 -1.344 -2.735) 3.058 3.152 ( 0.256 -1.344 2.735) 3.058 3.282 ( 2.429 4.643 -4.522) 6.921 3.282 ( -2.429 4.643 4.522) 6.921 3.387 ( -4.678 -1.274 0.306) 4.858 3.387 ( 4.678 -1.274 -0.306) 4.858 3.425 ( -1.714 2.248 -4.609) 5.407 3.425 ( 1.714 2.248 4.609) 5.407 3.507 ( 2.539 -0.492 -2.957) 3.928 3.507 ( -2.539 -0.492 2.957) 3.928 3.548 ( -1.249 6.534 -8.747) 10.989 3.548 ( 1.249 6.534 8.747) 10.989 3.633 ( -1.232 -3.215 -3.182) 4.688 3.633 ( 1.232 -3.215 3.182) 4.688 3.817 ( 0.035 6.219 -2.412) 6.670 3.817 ( -0.035 6.219 2.412) 6.670 3.889 ( -1.772 -0.045 -1.765) 2.502 3.889 ( 1.772 -0.045 1.765) 2.502 4.020 ( -1.038 -9.314 -1.814) 9.545 4.020 ( 1.038 -9.314 1.814) 9.545 4.110 ( -0.308 3.711 -3.989) 5.457 4.110 ( 0.308 3.711 3.989) 5.457 4.296 ( -0.870 -6.106 -5.364) 8.175 4.296 ( 0.870 -6.106 5.364) 8.175 4.510 ( -0.104 -4.875 -5.157) 7.097 4.510 ( 0.104 -4.875 5.157) 7.097 4.732 ( -0.184 0.390 -3.291) 3.319 4.732 ( 0.184 0.390 3.291) 3.319 4.889 ( -0.843 0.414 -1.322) 1.622 4.889 ( 0.843 0.414 1.322) 1.622 5.053 ( 1.309 10.366 -2.989) 10.867 5.053 ( -1.309 10.366 2.989) 10.867 5.264 ( 1.762 -7.554 -6.237) 9.953 5.264 ( -1.762 -7.554 6.237) 9.953 5.453 ( -3.936 -1.563 -6.282) 7.577 5.453 ( 3.936 -1.563 6.282) 7.577 5.613 ( -1.049 -3.198 -1.365) 3.632 5.613 ( 1.049 -3.198 1.365) 3.632 5.878 ( -2.303 1.509 -4.929) 5.646 5.878 ( 2.303 1.509 4.929) 5.646 6.008 ( -0.826 1.161 -1.250) 1.895 6.008 ( 0.826 1.161 1.250) 1.895 6.102 ( 1.896 -1.155 -1.491) 2.674 6.102 ( -1.896 -1.155 1.491) 2.674 6.186 ( -0.641 1.823 -3.107) 3.659 6.186 ( 0.641 1.823 3.107) 3.659 6.294 ( -1.759 -2.703 -2.250) 3.933 6.294 ( 1.759 -2.703 2.250) 3.933 6.454 ( -0.051 2.541 -5.674) 6.217 6.454 ( 0.051 2.541 5.674) 6.217 6.868 ( -3.881 2.138 -6.696) 8.030 6.868 ( 3.881 2.138 6.696) 8.030 6.978 ( -5.399 -5.684 -0.474) 7.854 6.978 ( 5.399 -5.684 0.474) 7.854 7.030 ( -0.365 1.373 -0.106) 1.424 7.030 ( 0.365 1.373 0.106) 1.424 7.230 ( -1.533 1.234 -4.235) 4.670 7.230 ( 1.533 1.234 4.235) 4.670 7.276 ( -1.617 -2.843 -3.684) 4.927 7.276 ( 1.617 -2.843 3.684) 4.927 7.489 ( -1.971 1.482 -0.847) 2.607 7.489 ( 1.971 1.482 0.847) 2.607 7.622 ( -0.220 1.927 -3.888) 4.345 7.622 ( 0.220 1.927 3.888) 4.345 7.798 ( -0.059 4.461 -6.330) 7.744 7.798 ( 0.059 4.461 6.330) 7.744 7.896 ( -1.492 -5.454 -4.893) 7.477 7.896 ( 1.492 -5.454 4.893) 7.477 8.348 ( -0.893 5.379 -1.374) 5.623 8.348 ( 0.893 5.379 1.374) 5.623 8.520 ( -1.974 -1.600 -4.190) 4.900 8.520 ( 1.974 -1.600 4.190) 4.900 8.684 ( -0.444 0.962 -3.723) 3.870 8.684 ( 0.444 0.962 3.723) 3.870 9.041 ( 0.246 0.458 -1.249) 1.353 9.041 ( -0.246 0.458 1.249) 1.353 9.430 ( -0.520 -0.760 -2.732) 2.883 9.430 ( 0.520 -0.760 2.732) 2.883 9.785 ( 0.694 -0.421 -3.617) 3.707 9.785 ( -0.694 -0.421 3.617) 3.707 10.017 ( 2.382 4.660 -2.713) 5.895 10.017 ( -2.382 4.660 2.713) 5.895 10.159 ( 2.262 -4.665 -2.821) 5.903 10.159 ( -2.262 -4.665 2.821) 5.903 11.890 ( -0.264 0.640 -1.130) 1.325 11.890 ( 0.264 0.640 1.130) 1.325 11.991 ( -0.091 -1.360 -0.684) 1.524 11.991 ( 0.091 -1.360 0.684) 1.524 13.748 ( 0.701 0.410 -1.399) 1.617 13.748 ( -0.701 0.410 1.399) 1.617 14.220 ( -0.316 -1.493 -1.321) 2.018 14.220 ( 0.316 -1.493 1.321) 2.018 14.411 ( -0.538 0.911 -0.711) 1.274 14.411 ( 0.538 0.911 0.711) 1.274 14.756 ( -0.287 -0.218 -0.762) 0.843 14.756 ( 0.287 -0.218 0.762) 0.843 14.854 ( -1.606 0.674 -0.526) 1.820 14.854 ( 1.606 0.674 0.526) 1.820 14.933 ( 1.498 -0.914 -1.737) 2.469 14.933 ( -1.498 -0.914 1.737) 2.469 15.064 ( -0.530 0.444 -1.719) 1.853 15.064 ( 0.530 0.444 1.719) 1.853 15.382 ( -0.171 -0.055 -1.781) 1.790 15.382 ( 0.171 -0.055 1.781) 1.790 15.625 ( -3.548 0.574 -1.210) 3.792 15.625 ( 3.548 0.574 1.210) 3.792 15.657 ( -4.024 -1.950 -1.661) 4.770 15.657 ( 4.024 -1.950 1.661) 4.770 16.509 ( -3.147 2.968 -3.956) 5.862 16.509 ( 3.147 2.968 3.956) 5.862 16.601 ( -2.175 -1.640 -3.145) 4.161 16.601 ( 2.175 -1.640 3.145) 4.161 17.098 ( -0.071 -0.105 -0.565) 0.579 17.098 ( 0.071 -0.105 0.565) 0.579 17.270 ( 1.056 -0.915 -1.941) 2.391 17.270 ( -1.056 -0.915 1.941) 2.391 17.390 ( 1.104 1.915 -2.333) 3.214 17.390 ( -1.104 1.915 2.333) 3.214 17.641 ( 0.181 -2.386 -2.531) 3.483 17.641 ( -0.181 -2.386 2.531) 3.483 17.979 ( -0.574 2.957 -4.619) 5.515 17.979 ( 0.574 2.957 4.619) 5.515 18.190 ( -0.425 -1.336 -5.183) 5.370 18.190 ( 0.425 -1.336 5.183) 5.370 18.596 ( -0.445 1.886 -0.734) 2.072 18.596 ( 0.445 1.886 0.734) 2.072 19.162 ( -0.418 -0.241 -0.153) 0.507 19.162 ( 0.418 -0.241 0.153) 0.507 19.474 ( 0.095 0.695 -0.510) 0.867 19.474 ( -0.095 0.695 0.510) 0.867 19.946 ( -1.209 0.635 -1.571) 2.081 19.946 ( 1.209 0.635 1.571) 2.081 19.984 ( -0.638 0.789 -0.738) 1.254 19.984 ( 0.638 0.789 0.738) 1.254 20.662 ( -5.360 1.841 -3.206) 6.511 20.662 ( 5.360 1.841 3.206) 6.511 20.933 ( -7.520 -6.057 -2.637) 10.009 20.933 ( 7.520 -6.057 2.637) 10.009 21.553 ( -0.630 0.137 -0.115) 0.655 21.553 ( 0.630 0.137 0.115) 0.655 21.687 ( -0.499 0.395 -0.121) 0.647 21.687 ( 0.499 0.395 0.121) 0.647 21.919 ( -1.377 1.476 0.176) 2.027 21.919 ( 1.377 1.476 -0.176) 2.027 22.144 ( -1.133 -1.598 -1.078) 2.236 22.144 ( 1.133 -1.598 1.078) 2.236 22.415 ( -0.493 0.178 -0.453) 0.692 22.415 ( 0.493 0.178 0.453) 0.692 ======================= Grid point 147 (75/78) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.028 6.507 -7.468) 10.357 1.355 ( 3.436 -0.400 0.983) 3.596 1.498 ( 9.703 3.655 2.819) 10.745 1.569 ( 10.138 -3.349 0.076) 10.677 1.782 ( 3.935 16.233 -14.402) 22.055 2.051 ( 1.198 -9.324 -11.464) 14.825 2.127 ( -0.869 9.056 3.212) 9.648 2.249 ( -0.752 -1.102 -5.235) 5.403 2.263 ( -0.981 -3.587 -5.184) 6.379 2.279 ( -2.667 -5.560 -6.827) 9.200 2.480 ( -0.887 7.623 5.745) 9.586 2.556 ( 3.423 1.198 -5.142) 6.292 2.570 ( 1.436 -1.250 -9.705) 9.890 2.605 ( 0.732 -0.688 8.261) 8.322 2.663 ( -2.318 -0.708 3.954) 4.638 2.733 ( 1.489 -2.870 5.836) 6.671 2.923 ( -3.798 1.197 4.971) 6.369 2.957 ( -4.952 -1.261 3.213) 6.036 3.018 ( -2.053 11.473 -9.044) 14.753 3.045 ( -6.823 0.346 -4.696) 8.290 3.079 ( -6.363 -2.484 -3.032) 7.473 3.124 ( 1.919 11.698 -10.713) 15.978 3.193 ( 2.137 -1.835 -2.526) 3.784 3.239 ( -3.715 4.055 0.856) 5.566 3.285 ( -3.423 1.568 -4.681) 6.007 3.331 ( 2.662 1.785 -3.276) 4.582 3.413 ( -0.089 -9.891 -0.919) 9.934 3.435 ( 0.477 -1.445 0.581) 1.629 3.491 ( 2.020 -5.793 -4.924) 7.867 3.527 ( 0.636 -0.383 -2.739) 2.838 3.545 ( 2.439 -1.872 -0.231) 3.083 3.621 ( 2.980 -1.937 -0.376) 3.574 3.696 ( 2.769 0.075 0.528) 2.820 3.736 ( 1.541 -2.639 -2.724) 4.094 3.744 ( 0.336 2.753 -2.811) 3.949 3.799 ( -1.050 -0.599 -1.772) 2.145 3.865 ( 1.211 6.031 2.000) 6.468 3.906 ( 2.985 2.944 1.544) 4.467 4.012 ( 1.440 -4.661 -2.352) 5.416 4.040 ( -0.211 -6.718 1.413) 6.868 4.138 ( 2.325 3.833 4.942) 6.672 4.244 ( 1.675 -5.052 6.849) 8.674 4.272 ( 1.154 5.059 4.183) 6.665 4.335 ( -0.939 1.159 -1.888) 2.406 4.460 ( -2.015 1.164 1.857) 2.977 4.603 ( -3.767 -11.853 10.184) 16.075 4.777 ( 2.477 1.938 7.175) 7.834 4.819 ( -0.879 -1.932 5.696) 6.079 4.854 ( -1.791 3.578 1.629) 4.321 4.918 ( -0.884 -3.200 3.201) 4.612 5.035 ( -0.924 10.270 -2.315) 10.568 5.085 ( -2.926 10.383 7.131) 12.931 5.215 ( -1.850 -4.960 -2.504) 5.856 5.262 ( -7.225 -1.379 -4.193) 8.467 5.348 ( 1.889 -6.887 6.948) 9.963 5.452 ( -5.086 -11.512 -1.674) 12.696 5.636 ( -0.184 0.480 1.379) 1.471 5.673 ( -0.588 -2.803 2.251) 3.643 5.764 ( -2.424 6.719 -4.535) 8.461 5.870 ( -5.766 -3.893 -1.694) 7.160 5.966 ( -2.279 2.329 -0.125) 3.262 6.025 ( -0.934 -2.906 -0.092) 3.054 6.126 ( -0.470 1.893 3.631) 4.122 6.142 ( 2.248 -0.340 1.432) 2.687 6.158 ( 0.788 2.893 2.599) 3.968 6.223 ( 2.607 -2.452 6.220) 7.176 6.287 ( 2.295 2.001 -4.188) 5.178 6.326 ( 0.639 -1.453 -1.570) 2.232 6.423 ( -0.137 3.236 3.780) 4.978 6.479 ( -4.210 -1.839 2.599) 5.278 6.721 ( -4.205 7.217 -3.604) 9.097 6.868 ( -6.393 -6.736 -1.117) 9.354 6.967 ( 0.855 3.269 -3.101) 4.586 6.987 ( -1.551 1.804 -1.780) 2.971 7.015 ( -0.183 1.571 -2.969) 3.364 7.045 ( 1.828 -5.611 -2.205) 6.300 7.181 ( -0.848 -1.257 2.327) 2.777 7.214 ( -1.930 -2.967 0.389) 3.561 7.326 ( 2.893 1.650 3.978) 5.189 7.360 ( 2.783 -1.457 2.908) 4.280 7.431 ( -1.636 2.408 -1.272) 3.177 7.474 ( 0.020 -1.761 -3.189) 3.643 7.598 ( 0.605 5.455 -0.178) 5.492 7.683 ( 1.383 -1.731 2.196) 3.120 7.737 ( 3.124 1.444 -5.552) 6.532 7.824 ( 1.099 -6.244 -4.000) 7.497 7.913 ( 5.714 6.999 3.094) 9.550 8.019 ( 6.822 -3.763 1.492) 7.933 8.287 ( -2.942 5.446 -2.143) 6.550 8.335 ( -2.907 1.418 -0.553) 3.281 8.444 ( -1.177 3.778 -0.851) 4.048 8.557 ( -1.374 -6.523 2.314) 7.056 8.732 ( 6.739 4.281 0.362) 7.992 8.812 ( 6.241 -3.416 3.501) 7.929 9.063 ( 0.822 2.855 1.526) 3.339 9.086 ( 1.891 0.807 2.963) 3.606 9.439 ( 3.682 1.367 0.764) 4.001 9.501 ( 4.822 -4.549 0.232) 6.633 9.789 ( 1.806 3.371 2.012) 4.321 9.844 ( -0.274 -2.358 5.535) 6.023 9.980 ( -2.020 5.254 -1.620) 5.858 10.003 ( 0.286 2.722 -4.156) 4.977 10.147 ( 0.622 -3.027 -2.286) 3.844 10.160 ( -0.474 -4.439 1.099) 4.597 11.856 ( -1.148 1.837 -1.822) 2.831 11.887 ( -1.198 -1.222 -0.541) 1.795 11.970 ( -1.106 -0.304 -0.794) 1.395 11.984 ( -1.357 -1.581 -0.308) 2.106 13.776 ( 4.666 0.470 -0.081) 4.691 13.788 ( 3.754 -0.612 1.035) 3.942 14.202 ( -0.435 0.532 -0.534) 0.870 14.242 ( -0.240 -3.553 1.359) 3.812 14.417 ( 1.127 2.511 1.259) 3.026 14.451 ( 2.021 -0.707 2.360) 3.187 14.726 ( -1.350 0.892 -2.464) 2.948 14.748 ( -1.244 -0.412 -1.705) 2.150 14.802 ( -2.600 3.055 -0.754) 4.082 14.853 ( -0.912 -1.915 -2.028) 2.934 14.890 ( -2.103 -0.419 -2.326) 3.163 14.911 ( 1.670 -2.427 -3.037) 4.231 15.043 ( -1.068 3.083 -1.398) 3.550 15.094 ( -0.886 -2.329 1.472) 2.894 15.333 ( -3.220 1.343 0.003) 3.489 15.370 ( -4.213 -2.284 0.555) 4.824 15.562 ( -1.781 2.153 1.147) 3.021 15.603 ( -0.416 -1.991 0.989) 2.262 15.724 ( 5.307 1.181 0.258) 5.443 15.754 ( 5.617 -1.901 -1.067) 6.025 16.373 ( -3.826 5.624 -7.102) 9.834 16.471 ( -2.892 -4.522 -5.756) 7.871 16.634 ( 2.838 3.133 3.644) 5.581 16.681 ( 2.415 -1.689 2.958) 4.176 17.115 ( 0.589 0.910 2.177) 2.432 17.132 ( 0.578 -0.500 3.502) 3.585 17.246 ( -1.131 0.434 -0.860) 1.485 17.276 ( -1.401 -2.383 1.367) 3.084 17.371 ( 1.914 2.927 -4.229) 5.488 17.397 ( -0.127 0.198 -0.564) 0.611 17.570 ( -2.636 3.078 -3.435) 5.313 17.653 ( 0.276 -5.989 -1.201) 6.115 17.893 ( -1.312 3.297 -3.349) 4.879 17.966 ( 0.917 -4.534 -4.421) 6.399 18.250 ( -1.013 5.097 10.964) 12.133 18.319 ( 0.119 -2.404 9.773) 10.065 18.605 ( 0.973 3.786 1.358) 4.138 18.639 ( 1.747 0.173 3.035) 3.506 19.197 ( 1.182 1.459 2.126) 2.836 19.226 ( 3.331 -1.445 3.413) 4.983 19.432 ( -1.625 1.024 -1.812) 2.640 19.444 ( -1.505 -0.087 -1.254) 1.961 19.893 ( -2.573 3.808 -1.693) 4.898 19.943 ( -2.145 -1.379 -0.731) 2.653 19.991 ( 0.559 1.056 1.492) 1.911 20.028 ( 1.891 -2.200 1.662) 3.343 20.469 ( -10.130 2.876 -4.598) 11.490 20.564 ( -13.663 -7.243 -5.881) 16.544 20.874 ( 0.239 7.149 2.054) 7.442 21.026 ( 0.331 -8.763 1.292) 8.864 21.540 ( -1.635 1.712 -0.643) 2.453 21.567 ( -0.104 -1.172 -0.475) 1.269 21.652 ( -1.002 1.243 -1.114) 1.946 21.672 ( -0.358 -0.970 -0.592) 1.192 21.911 ( -0.373 2.413 0.814) 2.574 21.942 ( 1.222 -0.208 0.242) 1.263 22.161 ( 4.009 1.851 0.346) 4.429 22.220 ( 5.029 -3.447 1.336) 6.242 22.451 ( 5.303 1.162 -0.165) 5.432 22.487 ( 7.444 -2.386 0.218) 7.820 ======================= Grid point 148 (76/78) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 13.198 10.147 -1.673) 16.731 1.466 ( 9.671 -0.244 -0.826) 9.709 1.550 ( 4.279 9.373 -9.494) 14.011 1.684 ( 10.240 -3.613 -5.217) 12.047 1.849 ( 11.941 7.264 -1.276) 14.035 1.990 ( 2.580 -2.677 -0.905) 3.826 2.035 ( -5.644 3.150 -6.493) 9.162 2.156 ( 1.473 -10.466 -7.347) 12.872 2.197 ( 2.978 2.558 -3.853) 5.501 2.247 ( 5.335 -0.179 -3.537) 6.404 2.390 ( -4.954 1.754 -10.887) 12.089 2.475 ( -0.998 -5.467 -5.626) 7.908 2.507 ( 0.024 6.209 -4.774) 7.832 2.646 ( -1.402 -5.730 -2.384) 6.363 2.698 ( -2.569 18.732 -5.474) 19.684 2.750 ( 3.075 6.785 1.657) 7.631 2.849 ( -1.869 -1.431 -4.630) 5.195 2.895 ( -5.751 -0.514 0.807) 5.830 2.927 ( -5.790 5.064 -2.449) 8.073 2.977 ( -4.388 -3.666 8.750) 10.453 3.019 ( 0.989 -4.595 4.893) 6.785 3.062 ( -0.932 8.845 -0.876) 8.937 3.108 ( -4.507 -2.311 -0.979) 5.159 3.214 ( -3.925 0.199 -0.891) 4.030 3.236 ( -0.730 -4.991 0.034) 5.045 3.308 ( -5.683 -4.562 -1.013) 7.358 3.366 ( -1.044 -3.193 1.976) 3.897 3.414 ( 3.037 -0.167 -8.578) 9.101 3.469 ( 2.772 -3.641 0.375) 4.591 3.507 ( 5.674 -2.501 -4.825) 7.857 3.563 ( 1.180 -4.449 -3.781) 5.956 3.604 ( 0.600 -4.332 -2.279) 4.931 3.676 ( 1.527 5.474 0.441) 5.700 3.723 ( 0.102 1.907 -3.673) 4.140 3.778 ( -1.432 -2.425 -1.293) 3.099 3.801 ( 3.548 -4.831 -1.052) 6.086 3.919 ( 2.988 4.436 -0.497) 5.372 3.976 ( 2.905 0.575 0.770) 3.060 4.043 ( 2.905 1.652 4.290) 5.438 4.083 ( 1.223 -1.123 1.995) 2.595 4.212 ( 0.652 4.144 -1.506) 4.457 4.253 ( -0.489 1.988 -3.362) 3.936 4.284 ( 2.019 2.330 -0.783) 3.181 4.348 ( 1.874 -4.349 -0.470) 4.759 4.528 ( -5.115 2.651 12.604) 13.858 4.611 ( -10.008 -6.460 8.315) 14.526 4.794 ( -3.309 3.485 0.011) 4.806 4.841 ( -3.707 1.218 0.453) 3.928 4.879 ( -4.230 2.724 4.549) 6.783 4.951 ( -2.424 4.512 0.137) 5.124 5.024 ( -6.189 6.636 -1.893) 9.270 5.090 ( 2.146 -5.951 8.529) 10.619 5.147 ( -2.772 -1.049 1.120) 3.168 5.207 ( -3.234 -6.033 3.504) 7.690 5.270 ( -8.054 -1.321 -5.371) 9.770 5.422 ( -7.683 -11.608 -1.668) 14.020 5.604 ( -1.228 2.557 0.049) 2.837 5.664 ( 0.120 -3.215 1.701) 3.640 5.754 ( 1.880 1.904 4.971) 5.646 5.823 ( 0.519 -4.268 6.811) 8.054 5.964 ( 0.178 2.010 1.977) 2.826 6.005 ( -1.998 -1.583 0.069) 2.550 6.162 ( 4.479 4.289 -3.453) 7.097 6.218 ( 2.866 1.512 3.027) 4.434 6.239 ( 1.233 2.014 1.744) 2.936 6.265 ( 0.952 1.859 -1.102) 2.362 6.334 ( 0.292 -0.434 5.014) 5.041 6.358 ( -1.118 -2.385 6.790) 7.283 6.468 ( 0.297 0.877 3.398) 3.522 6.474 ( -2.149 0.761 5.161) 5.642 6.632 ( -1.086 4.648 -3.370) 5.843 6.760 ( -3.350 -6.075 -4.497) 8.268 6.851 ( -2.230 2.936 -5.562) 6.673 6.888 ( -3.514 -0.279 -6.927) 7.772 6.976 ( -2.359 -0.411 -0.050) 2.395 7.001 ( -2.687 -3.106 -1.162) 4.268 7.234 ( 1.189 -1.849 3.556) 4.180 7.243 ( 0.223 -1.495 3.356) 3.681 7.378 ( 0.192 4.420 -0.649) 4.471 7.438 ( 0.672 -0.149 -0.024) 0.689 7.442 ( 4.171 3.237 4.486) 6.928 7.500 ( 5.916 -1.944 1.229) 6.347 7.626 ( 0.898 3.960 2.187) 4.613 7.714 ( 1.385 2.525 -0.063) 2.880 7.746 ( 5.005 -5.700 -3.257) 8.255 7.817 ( 5.352 -6.890 -4.466) 9.801 8.010 ( 3.265 7.138 -1.254) 7.949 8.100 ( 1.608 -2.591 -1.120) 3.248 8.250 ( 0.118 5.689 1.933) 6.010 8.311 ( 0.347 0.169 1.352) 1.406 8.433 ( -0.869 3.350 0.869) 3.568 8.560 ( -2.277 -7.790 1.881) 8.331 8.835 ( 7.338 4.045 -2.046) 8.625 8.921 ( 4.402 -4.420 0.659) 6.273 9.075 ( -1.396 5.152 1.044) 5.439 9.148 ( 0.480 -1.899 2.481) 3.161 9.526 ( 2.964 0.260 2.005) 3.587 9.559 ( 3.621 -2.746 -1.353) 4.742 9.840 ( -2.188 1.549 -2.727) 3.824 9.866 ( -1.353 -1.308 -4.252) 4.650 9.927 ( -0.513 5.399 2.042) 5.795 9.974 ( 2.390 1.266 1.869) 3.288 10.130 ( -0.301 0.643 -0.054) 0.712 10.185 ( 1.676 -4.244 1.036) 4.679 11.820 ( -0.593 1.966 -1.004) 2.286 11.852 ( -1.293 -1.234 -1.052) 2.074 11.940 ( -1.492 -0.023 -0.692) 1.645 11.952 ( -1.297 -1.145 -0.881) 1.941 13.880 ( 5.988 0.224 2.430) 6.466 13.902 ( 8.572 -2.590 1.513) 9.081 14.191 ( -0.659 1.533 0.306) 1.696 14.245 ( -1.683 -4.103 1.490) 4.678 14.474 ( 2.634 3.139 1.928) 4.528 14.535 ( 3.607 -2.600 2.793) 5.250 14.636 ( -4.089 2.884 -2.871) 5.769 14.685 ( -2.267 -1.143 -2.735) 3.732 14.765 ( -0.130 1.947 -1.588) 2.516 14.804 ( -0.566 -1.792 -1.949) 2.707 14.840 ( -0.832 1.488 -1.828) 2.500 14.904 ( 0.970 -4.744 -2.155) 5.300 14.976 ( -2.662 5.457 -2.256) 6.478 15.063 ( -2.655 -3.870 -1.325) 4.876 15.295 ( -2.555 1.469 0.487) 2.987 15.321 ( -2.830 -1.111 1.275) 3.297 15.587 ( -0.540 2.103 2.913) 3.633 15.632 ( 0.490 -2.451 2.405) 3.468 15.771 ( 2.279 0.985 -2.996) 3.891 15.791 ( 3.493 -0.919 -3.461) 5.003 16.227 ( -1.851 7.338 -6.858) 10.213 16.344 ( -2.899 -4.903 -5.585) 7.977 16.726 ( 3.182 1.680 2.919) 4.633 16.755 ( 2.595 -1.133 2.282) 3.637 17.158 ( -0.261 2.316 2.562) 3.464 17.192 ( -1.071 1.132 4.787) 5.034 17.226 ( 0.436 -0.573 0.128) 0.732 17.259 ( -2.654 -1.414 0.338) 3.026 17.340 ( 1.835 0.532 -3.617) 4.090 17.361 ( 0.647 -0.520 -4.580) 4.655 17.496 ( -2.232 5.497 -2.184) 6.323 17.622 ( -0.730 -7.561 -2.999) 8.166 17.864 ( 1.031 4.722 -0.150) 4.836 17.972 ( 3.516 -6.714 0.260) 7.583 18.339 ( -5.599 5.868 8.620) 11.836 18.416 ( -2.428 -2.635 6.839) 7.721 18.651 ( 1.145 5.633 2.516) 6.275 18.718 ( 1.791 -1.270 4.156) 4.700 19.135 ( -7.879 3.760 -4.000) 9.604 19.206 ( -6.764 -3.311 -3.575) 8.336 19.480 ( 5.406 1.197 2.488) 6.070 19.506 ( 6.674 -1.450 3.340) 7.603 19.823 ( -3.226 1.976 -0.980) 3.908 19.864 ( -4.618 -2.084 -2.001) 5.448 20.024 ( 0.686 0.884 1.395) 1.789 20.060 ( 0.513 -3.009 -0.017) 3.053 20.299 ( -4.843 1.554 -0.214) 5.090 20.327 ( -6.589 -1.135 -1.218) 6.796 20.871 ( -2.896 5.728 -0.591) 6.446 20.992 ( -3.950 -6.884 -1.536) 8.084 21.477 ( -3.538 2.071 -1.412) 4.336 21.506 ( -3.647 -0.914 -2.014) 4.265 21.672 ( 2.511 0.813 0.636) 2.715 21.692 ( 2.117 -1.513 0.879) 2.746 21.925 ( 0.732 2.536 0.674) 2.724 21.962 ( 0.884 -0.786 0.170) 1.196 22.248 ( 5.835 3.187 0.283) 6.655 22.308 ( 4.137 -2.083 0.789) 4.699 22.545 ( 6.182 1.534 0.086) 6.370 22.617 ( 6.897 -5.974 0.980) 9.177 ======================= Grid point 149 (77/78) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 11.317 13.036 -12.960) 21.587 1.561 ( 7.132 8.319 -0.562) 10.972 1.607 ( 10.366 5.524 1.293) 11.817 1.748 ( 8.555 -6.268 -6.030) 12.199 1.833 ( -2.133 0.550 -5.428) 5.858 1.953 ( 0.688 -4.874 0.452) 4.943 2.073 ( 0.686 1.724 1.835) 2.609 2.134 ( 2.388 -3.731 -6.459) 7.832 2.143 ( -6.181 4.349 0.320) 7.564 2.248 ( -1.346 -4.858 3.050) 5.892 2.319 ( 4.772 2.295 -2.453) 5.836 2.403 ( 4.918 -3.527 -9.062) 10.897 2.450 ( 2.451 6.246 -2.826) 7.281 2.531 ( 1.245 -4.684 -0.771) 4.908 2.656 ( 0.624 9.345 -1.996) 9.576 2.724 ( -4.287 2.350 -5.119) 7.079 2.775 ( -7.547 -1.267 0.505) 7.669 2.834 ( 1.401 8.364 -2.470) 8.832 2.888 ( -4.971 0.706 3.755) 6.270 2.973 ( 1.490 2.404 -6.024) 6.655 2.988 ( -3.289 -3.294 -3.229) 5.665 3.022 ( -2.921 -6.445 2.606) 7.541 3.093 ( -0.394 4.093 4.497) 6.093 3.212 ( 1.849 -4.825 1.007) 5.264 3.265 ( -0.649 -3.427 8.874) 9.535 3.277 ( -2.296 -4.172 6.012) 7.669 3.393 ( 2.558 -0.758 -4.408) 5.152 3.424 ( 1.078 1.372 5.255) 5.537 3.476 ( 0.684 -7.498 -6.995) 10.277 3.518 ( 1.011 -6.261 -2.642) 6.870 3.559 ( 1.559 3.101 4.035) 5.323 3.605 ( -0.809 4.565 -3.924) 6.074 3.615 ( -1.258 -1.644 -1.666) 2.657 3.682 ( -2.629 -2.015 -6.119) 6.959 3.748 ( 4.843 4.868 -0.876) 6.922 3.829 ( 3.057 -2.607 -4.825) 6.279 3.928 ( -0.138 3.261 -0.087) 3.265 3.999 ( -1.652 -1.170 -1.701) 2.644 4.048 ( -0.231 5.047 -2.654) 5.707 4.088 ( -4.088 -0.162 -1.237) 4.274 4.196 ( 2.725 2.931 0.171) 4.005 4.244 ( 2.407 -1.131 -1.149) 2.897 4.324 ( 1.528 5.240 1.789) 5.744 4.407 ( 4.324 -3.572 1.896) 5.920 4.524 ( -10.966 1.704 4.216) 11.872 4.595 ( -2.881 -3.438 7.045) 8.351 4.736 ( -4.809 0.100 2.544) 5.442 4.782 ( -4.717 1.244 0.023) 4.878 4.810 ( -3.588 4.182 1.323) 5.666 4.895 ( -4.560 6.922 -5.857) 10.150 4.933 ( -2.877 3.567 -1.458) 4.809 4.998 ( -5.807 -5.604 -0.951) 8.126 5.123 ( -3.283 -0.539 -0.355) 3.346 5.197 ( -8.416 -7.634 -5.511) 12.629 5.270 ( 1.056 -6.612 4.637) 8.145 5.283 ( 3.330 -7.649 4.349) 9.408 5.621 ( -0.145 1.479 2.716) 3.096 5.676 ( 0.453 -3.776 0.578) 3.846 5.891 ( -0.605 4.617 1.184) 4.805 5.918 ( 1.503 0.856 3.180) 3.620 5.981 ( -0.686 2.953 3.489) 4.622 6.044 ( 2.146 -3.106 6.737) 7.723 6.188 ( 7.476 1.706 -7.177) 10.503 6.227 ( -5.166 7.197 2.894) 9.319 6.250 ( 3.345 -3.523 -2.883) 5.649 6.308 ( -1.837 1.197 -1.124) 2.464 6.382 ( -0.530 -0.722 7.427) 7.481 6.405 ( -3.930 -2.702 8.362) 9.627 6.519 ( 1.819 1.665 2.612) 3.593 6.550 ( 2.377 -2.561 1.322) 3.736 6.616 ( 2.489 0.190 -2.198) 3.326 6.643 ( -0.869 -1.346 -5.076) 5.323 6.782 ( 1.413 0.039 -3.244) 3.539 6.817 ( -0.304 -3.222 0.526) 3.279 6.938 ( -3.608 -0.652 1.795) 4.082 6.952 ( -2.838 -2.418 0.237) 3.735 7.260 ( -0.113 1.118 -0.875) 1.424 7.276 ( -1.332 -1.429 1.085) 2.235 7.396 ( 0.784 6.290 2.471) 6.803 7.453 ( 1.124 1.157 0.609) 1.724 7.573 ( 3.220 2.825 4.683) 6.347 7.612 ( 5.644 -0.554 1.544) 5.878 7.667 ( 0.661 2.134 1.610) 2.754 7.756 ( 2.336 -0.697 0.663) 2.526 7.775 ( 6.117 -1.432 -3.753) 7.318 7.873 ( 9.153 -6.824 -4.170) 12.155 7.977 ( -4.078 5.369 -1.075) 6.827 8.056 ( -5.088 -3.261 0.361) 6.054 8.305 ( 0.549 7.245 2.289) 7.618 8.323 ( -0.114 5.670 -1.594) 5.891 8.465 ( 1.261 -3.739 3.076) 5.003 8.540 ( -2.438 -8.390 1.117) 8.808 8.900 ( 5.883 4.925 -2.647) 8.116 8.986 ( 1.997 -1.921 1.394) 3.102 9.060 ( 0.102 4.029 0.024) 4.030 9.168 ( -0.020 -5.435 0.263) 5.441 9.543 ( 0.293 1.532 -3.057) 3.432 9.574 ( -2.608 -2.083 0.671) 3.405 9.690 ( -3.967 2.354 -5.009) 6.809 9.740 ( -0.987 -3.107 -8.748) 9.336 9.995 ( 0.503 6.229 5.264) 8.171 10.077 ( 3.209 0.048 4.105) 5.211 10.124 ( -0.754 2.460 -0.212) 2.582 10.213 ( 0.850 -4.520 -0.834) 4.674 11.814 ( 0.336 1.625 0.163) 1.667 11.830 ( -0.324 0.115 -0.294) 0.452 11.913 ( -0.852 -0.096 -0.216) 0.884 11.925 ( -0.716 -1.151 -0.791) 1.570 14.007 ( 4.389 0.709 3.530) 5.677 14.043 ( 6.559 -3.674 0.152) 7.520 14.195 ( 0.759 0.823 0.237) 1.144 14.235 ( -2.209 -3.304 1.543) 4.264 14.487 ( -1.566 1.534 -2.032) 2.989 14.508 ( -3.131 -0.468 -3.345) 4.606 14.664 ( 1.463 -0.210 3.219) 3.542 14.669 ( 2.759 -0.478 3.441) 4.436 14.765 ( 0.529 1.342 0.438) 1.508 14.789 ( 0.596 0.203 -0.621) 0.884 14.807 ( -0.141 1.907 -2.762) 3.360 14.863 ( -0.392 -1.882 -3.064) 3.617 14.968 ( 1.650 1.612 2.380) 3.315 15.020 ( 0.170 -2.791 -0.573) 2.855 15.260 ( -2.546 1.535 -0.649) 3.043 15.281 ( -3.534 -0.549 -0.684) 3.641 15.596 ( -2.105 3.482 2.561) 4.808 15.676 ( -0.775 -4.767 3.945) 6.235 15.721 ( -0.034 2.342 -6.025) 6.465 15.768 ( 1.616 -2.461 -5.413) 6.162 16.162 ( 1.869 6.414 -2.760) 7.228 16.246 ( -2.054 -2.487 -3.237) 4.570 16.802 ( 2.464 0.514 1.606) 2.985 16.816 ( 1.648 -0.712 1.465) 2.317 17.152 ( -1.694 2.753 0.486) 3.269 17.192 ( -3.112 0.388 -0.580) 3.189 17.251 ( 1.737 1.772 2.193) 3.312 17.264 ( -0.029 0.603 2.545) 2.616 17.316 ( 1.687 -0.674 -4.185) 4.562 17.358 ( 1.424 -1.344 1.250) 2.323 17.432 ( -1.759 2.944 -2.113) 4.029 17.552 ( -1.968 -7.385 -4.143) 8.693 17.922 ( 4.219 7.602 2.392) 9.017 18.053 ( 3.312 -4.676 1.717) 5.982 18.313 ( -6.340 5.422 3.297) 8.970 18.420 ( -5.995 -4.840 3.243) 8.360 18.704 ( 2.076 6.437 2.013) 7.057 18.800 ( 2.281 -2.510 3.465) 4.849 18.933 ( -7.332 3.703 -5.960) 10.149 19.025 ( -6.026 -4.711 -5.804) 9.602 19.548 ( 1.012 0.836 -0.821) 1.548 19.566 ( 0.454 -1.068 -2.175) 2.466 19.814 ( 0.763 1.295 2.321) 2.765 19.838 ( 0.479 -0.982 1.771) 2.080 20.044 ( 0.902 0.362 -0.130) 0.980 20.060 ( 1.283 -1.332 -1.278) 2.248 20.316 ( -0.018 1.182 6.063) 6.177 20.344 ( 1.057 -1.787 7.153) 7.448 20.781 ( -4.008 4.537 -3.219) 6.856 20.876 ( -4.896 -5.405 -5.028) 8.858 21.420 ( -1.865 1.235 -0.498) 2.292 21.437 ( -2.165 -0.461 -1.287) 2.561 21.719 ( 2.036 0.596 0.760) 2.254 21.735 ( 1.189 -1.095 0.971) 1.885 21.947 ( 0.976 1.799 0.434) 2.092 21.971 ( 0.154 -0.459 -0.080) 0.491 22.330 ( 4.202 2.762 0.089) 5.029 22.364 ( 1.984 -0.137 0.306) 2.012 22.630 ( 4.293 0.418 0.346) 4.328 22.693 ( 1.775 -5.965 0.082) 6.224 ======================= Grid point 150 (78/78) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 8.642 12.532 -6.512) 16.558 1.540 ( -8.642 12.532 6.512) 16.558 1.743 ( -3.551 -0.681 -2.516) 4.405 1.743 ( 3.551 -0.681 2.516) 4.405 1.889 ( -8.586 -1.963 -3.242) 9.385 1.889 ( 8.586 -1.963 3.242) 9.385 2.058 ( -2.790 -1.652 -2.265) 3.955 2.058 ( 2.790 -1.652 2.265) 3.955 2.193 ( -3.143 -1.756 -3.616) 5.103 2.193 ( 3.143 -1.756 3.616) 5.103 2.365 ( 1.137 -3.537 -4.219) 5.622 2.365 ( -1.137 -3.537 4.219) 5.622 2.551 ( -7.434 6.781 -5.403) 11.421 2.551 ( 7.434 6.781 5.403) 11.421 2.654 ( -5.084 0.989 0.265) 5.186 2.654 ( 5.084 0.989 -0.265) 5.186 2.725 ( -6.699 1.124 -6.604) 9.474 2.725 ( 6.699 1.124 6.604) 9.474 2.887 ( -1.847 0.822 -1.447) 2.487 2.887 ( 1.847 0.822 1.447) 2.487 3.002 ( 3.164 -3.538 -2.455) 5.343 3.002 ( -3.164 -3.538 2.455) 5.343 3.238 ( -3.723 1.122 -6.404) 7.492 3.238 ( 3.723 1.122 6.404) 7.492 3.315 ( -4.703 1.320 -2.571) 5.520 3.315 ( 4.703 1.320 2.571) 5.520 3.376 ( 1.803 -4.200 -7.759) 9.005 3.376 ( -1.803 -4.200 7.759) 9.005 3.464 ( 0.883 -2.402 -2.150) 3.342 3.464 ( -0.883 -2.402 2.150) 3.342 3.571 ( 0.831 0.402 -2.266) 2.447 3.571 ( -0.831 0.402 2.266) 2.447 3.656 ( 0.081 -0.632 -2.893) 2.963 3.656 ( -0.081 -0.632 2.893) 2.963 3.752 ( -1.122 -0.477 -2.743) 3.002 3.752 ( 1.122 -0.477 2.743) 3.002 3.969 ( 0.260 2.868 -3.271) 4.359 3.969 ( -0.260 2.869 3.271) 4.359 4.023 ( -1.728 2.792 -0.583) 3.334 4.023 ( 1.728 2.792 0.583) 3.334 4.238 ( -1.348 -0.580 -0.671) 1.613 4.238 ( 1.348 -0.580 0.671) 1.613 4.384 ( -4.655 3.292 -0.531) 5.726 4.384 ( 4.655 3.292 0.531) 5.726 4.568 ( -5.889 -0.793 -3.591) 6.943 4.568 ( 5.889 -0.793 3.591) 6.943 4.729 ( -1.775 1.039 -2.105) 2.943 4.729 ( 1.775 1.039 2.105) 2.943 4.792 ( -0.754 2.081 -1.540) 2.697 4.792 ( 0.754 2.081 1.540) 2.697 4.929 ( -1.715 -3.341 -2.848) 4.713 4.929 ( 1.715 -3.341 2.848) 4.713 5.086 ( -0.754 -2.273 -0.550) 2.457 5.086 ( 0.754 -2.273 0.550) 2.457 5.331 ( 0.299 -6.242 -1.460) 6.417 5.331 ( -0.299 -6.242 1.460) 6.417 5.664 ( 0.065 0.536 -3.497) 3.538 5.664 ( -0.065 0.536 3.497) 3.538 5.898 ( -1.000 1.509 -1.710) 2.490 5.898 ( 1.000 1.509 1.710) 2.490 6.079 ( -2.398 3.426 -4.302) 6.000 6.079 ( 2.398 3.426 4.302) 6.000 6.187 ( 2.735 2.162 -5.171) 6.237 6.187 ( -2.735 2.162 5.171) 6.237 6.262 ( 5.066 -2.795 -4.918) 7.594 6.262 ( -5.066 -2.795 4.918) 7.594 6.442 ( -1.106 -4.061 -1.680) 4.532 6.442 ( 1.106 -4.061 1.680) 4.532 6.560 ( 0.561 0.048 -1.858) 1.941 6.560 ( -0.561 0.048 1.858) 1.941 6.623 ( 1.138 -0.010 -3.549) 3.727 6.623 ( -1.138 -0.010 3.549) 3.727 6.811 ( 0.144 -1.025 -1.272) 1.640 6.811 ( -0.144 -1.025 1.272) 1.640 6.924 ( 0.739 -2.210 -1.453) 2.746 6.924 ( -0.739 -2.210 1.453) 2.746 7.249 ( 1.448 1.587 -0.808) 2.295 7.249 ( -1.448 1.587 0.808) 2.295 7.449 ( 0.300 2.942 -2.576) 3.922 7.449 ( -0.300 2.942 2.576) 3.922 7.651 ( -0.959 3.071 -1.919) 3.746 7.651 ( 0.959 3.071 1.919) 3.746 7.727 ( -1.750 -3.998 -3.572) 5.639 7.727 ( 1.750 -3.998 3.572) 5.639 7.874 ( -2.132 4.915 -1.708) 5.624 7.874 ( 2.132 4.915 1.708) 5.624 7.974 ( 6.258 -4.797 -2.592) 8.300 7.974 ( -6.258 -4.797 2.592) 8.300 8.308 ( 0.681 6.731 -1.026) 6.843 8.308 ( -0.681 6.731 1.026) 6.843 8.514 ( 1.581 -7.067 -2.517) 7.667 8.514 ( -1.581 -7.067 2.517) 7.667 8.965 ( -2.796 6.393 -0.677) 7.011 8.965 ( 2.796 6.393 0.677) 7.011 9.131 ( -3.018 -5.307 -3.005) 6.805 9.131 ( 3.018 -5.307 3.005) 6.805 9.510 ( -1.505 0.637 -0.059) 1.636 9.510 ( 1.505 0.637 0.059) 1.636 9.659 ( 1.443 -1.230 -3.926) 4.360 9.659 ( -1.443 -1.230 3.926) 4.360 10.071 ( -0.110 6.722 -4.767) 8.241 10.071 ( 0.110 6.722 4.767) 8.241 10.178 ( -1.140 -4.391 -3.892) 5.977 10.178 ( 1.140 -4.391 3.892) 5.977 11.824 ( -0.302 1.108 -0.242) 1.174 11.824 ( 0.302 1.108 0.242) 1.174 11.910 ( -0.099 -0.723 -0.469) 0.868 11.910 ( 0.099 -0.723 0.469) 0.868 14.083 ( 1.195 -0.771 -3.223) 3.523 14.083 ( -1.195 -0.771 3.223) 3.523 14.216 ( 1.470 -1.583 -1.421) 2.586 14.216 ( -1.470 -1.583 1.421) 2.586 14.450 ( -0.132 0.040 -0.266) 0.299 14.450 ( 0.132 0.040 0.266) 0.299 14.722 ( -0.291 0.899 -1.920) 2.140 14.722 ( 0.291 0.899 1.920) 2.140 14.767 ( 1.212 1.140 -2.518) 3.018 14.767 ( -1.212 1.140 2.518) 3.018 14.817 ( -0.210 -1.596 -2.564) 3.027 14.817 ( 0.210 -1.596 2.564) 3.027 15.037 ( -0.343 -0.039 -1.093) 1.146 15.037 ( 0.343 -0.039 1.093) 1.146 15.220 ( -0.027 0.082 -0.714) 0.719 15.220 ( 0.027 0.082 0.714) 0.719 15.630 ( 0.146 3.876 -5.538) 6.761 15.630 ( -0.146 3.876 5.538) 6.761 15.720 ( 1.542 -4.736 -4.946) 7.019 15.720 ( -1.542 -4.736 4.946) 7.019 16.187 ( -2.460 2.216 -0.632) 3.370 16.187 ( 2.460 2.216 0.632) 3.370 16.836 ( 0.160 -0.255 -0.291) 0.419 16.836 ( -0.160 -0.255 0.291) 0.419 17.150 ( -0.221 1.861 -1.177) 2.213 17.150 ( 0.221 1.861 1.177) 2.213 17.285 ( 0.622 -2.096 -1.900) 2.897 17.285 ( -0.622 -2.096 1.900) 2.897 17.330 ( -1.700 5.900 -2.588) 6.663 17.330 ( 1.700 5.900 2.588) 6.663 17.461 ( -1.424 -6.195 -4.377) 7.718 17.461 ( 1.424 -6.195 4.377) 7.718 18.035 ( -4.569 7.103 -2.219) 8.732 18.035 ( 4.569 7.103 2.219) 8.732 18.333 ( -5.363 -5.172 -0.926) 7.508 18.333 ( 5.363 -5.172 0.926) 7.508 18.782 ( -3.572 6.026 -3.611) 7.881 18.782 ( 3.572 6.026 3.611) 7.881 18.891 ( -3.140 -4.834 -3.901) 6.960 18.891 ( 3.140 -4.834 3.901) 6.960 19.544 ( -0.124 -0.296 -0.355) 0.479 19.544 ( 0.124 -0.296 0.355) 0.479 19.850 ( -0.156 0.456 -0.732) 0.877 19.850 ( 0.156 0.456 0.732) 0.877 20.057 ( -0.188 0.152 -0.667) 0.710 20.057 ( 0.188 0.152 0.667) 0.710 20.405 ( -1.092 -0.217 -1.920) 2.220 20.405 ( 1.092 -0.217 1.920) 2.220 20.746 ( -1.811 -1.147 -3.510) 4.113 20.746 ( 1.811 -1.147 3.510) 4.113 21.407 ( -0.178 0.274 -0.422) 0.534 21.407 ( 0.178 0.274 0.422) 0.534 21.746 ( -0.629 -0.110 0.049) 0.640 21.746 ( 0.629 -0.110 -0.049) 0.640 21.964 ( -0.472 0.502 -0.372) 0.783 21.964 ( 0.472 0.502 0.372) 0.783 22.373 ( -1.013 1.584 -0.019) 1.881 22.373 ( 1.013 1.584 0.019) 1.881 22.685 ( -1.806 -2.808 -0.580) 3.389 22.685 ( 1.806 -2.808 0.580) 3.389 =================== 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 3/40320 10.0 359.083 354.281 387.275 0.000 -61.096 0.000 3/40320 20.0 44.780 48.351 52.320 0.000 -4.568 0.000 3/40320 30.0 17.342 18.365 20.547 0.000 -1.584 0.000 3/40320 40.0 9.954 10.466 11.928 0.000 -0.838 0.000 3/40320 50.0 6.839 7.175 8.256 0.000 -0.537 0.000 3/40320 60.0 5.184 5.435 6.286 0.000 -0.385 0.000 3/40320 70.0 4.174 4.375 5.076 0.000 -0.297 0.000 3/40320 80.0 3.498 3.667 4.261 0.000 -0.241 0.000 3/40320 90.0 3.016 3.161 3.676 0.000 -0.203 0.000 3/40320 100.0 2.654 2.782 3.237 0.000 -0.175 0.000 3/40320 110.0 2.374 2.487 2.895 0.000 -0.154 0.000 3/40320 120.0 2.149 2.251 2.621 0.000 -0.138 0.000 3/40320 130.0 1.966 2.058 2.396 0.000 -0.124 0.000 3/40320 140.0 1.813 1.897 2.208 0.000 -0.113 0.000 3/40320 150.0 1.684 1.760 2.049 0.000 -0.104 0.000 3/40320 160.0 1.573 1.643 1.913 0.000 -0.096 0.000 3/40320 170.0 1.477 1.541 1.794 0.000 -0.089 0.000 3/40320 180.0 1.392 1.451 1.690 0.000 -0.083 0.000 3/40320 190.0 1.318 1.372 1.598 0.000 -0.077 0.000 3/40320 200.0 1.252 1.302 1.516 0.000 -0.072 0.000 3/40320 210.0 1.193 1.238 1.443 0.000 -0.068 0.000 3/40320 220.0 1.139 1.181 1.376 0.000 -0.064 0.000 3/40320 230.0 1.091 1.129 1.316 0.000 -0.060 0.000 3/40320 240.0 1.046 1.082 1.261 0.000 -0.057 0.000 3/40320 250.0 1.006 1.039 1.211 0.000 -0.054 0.000 3/40320 260.0 0.969 0.999 1.164 0.000 -0.051 0.000 3/40320 270.0 0.934 0.962 1.122 0.000 -0.049 0.000 3/40320 280.0 0.902 0.928 1.082 0.000 -0.046 0.000 3/40320 290.0 0.872 0.896 1.045 0.000 -0.044 0.000 3/40320 300.0 0.845 0.866 1.011 0.000 -0.042 0.000 3/40320 310.0 0.819 0.839 0.979 0.000 -0.040 0.000 3/40320 320.0 0.794 0.813 0.948 0.000 -0.039 0.000 3/40320 330.0 0.772 0.789 0.920 0.000 -0.037 0.000 3/40320 340.0 0.750 0.766 0.894 0.000 -0.036 0.000 3/40320 350.0 0.730 0.744 0.869 0.000 -0.034 0.000 3/40320 360.0 0.710 0.724 0.845 0.000 -0.033 0.000 3/40320 370.0 0.692 0.705 0.822 0.000 -0.032 0.000 3/40320 380.0 0.675 0.686 0.801 0.000 -0.031 0.000 3/40320 390.0 0.658 0.669 0.781 0.000 -0.030 0.000 3/40320 400.0 0.643 0.652 0.762 0.000 -0.029 0.000 3/40320 410.0 0.628 0.637 0.744 0.000 -0.028 0.000 3/40320 420.0 0.613 0.622 0.726 0.000 -0.027 0.000 3/40320 430.0 0.600 0.608 0.710 0.000 -0.026 0.000 3/40320 440.0 0.587 0.594 0.694 0.000 -0.025 0.000 3/40320 450.0 0.574 0.581 0.679 0.000 -0.025 0.000 3/40320 460.0 0.563 0.569 0.664 0.000 -0.024 0.000 3/40320 470.0 0.551 0.557 0.650 0.000 -0.023 0.000 3/40320 480.0 0.540 0.545 0.637 0.000 -0.023 0.000 3/40320 490.0 0.530 0.534 0.624 0.000 -0.022 0.000 3/40320 500.0 0.519 0.524 0.612 0.000 -0.022 0.000 3/40320 510.0 0.510 0.514 0.600 0.000 -0.021 0.000 3/40320 520.0 0.500 0.504 0.589 0.000 -0.021 0.000 3/40320 530.0 0.491 0.495 0.578 0.000 -0.020 0.000 3/40320 540.0 0.482 0.486 0.567 0.000 -0.020 0.000 3/40320 550.0 0.474 0.477 0.557 0.000 -0.019 0.000 3/40320 560.0 0.466 0.468 0.547 0.000 -0.019 0.000 3/40320 570.0 0.458 0.460 0.538 0.000 -0.018 0.000 3/40320 580.0 0.450 0.453 0.529 0.000 -0.018 0.000 3/40320 590.0 0.443 0.445 0.520 0.000 -0.018 0.000 3/40320 600.0 0.436 0.438 0.511 0.000 -0.017 0.000 3/40320 610.0 0.429 0.431 0.503 0.000 -0.017 0.000 3/40320 620.0 0.422 0.424 0.495 0.000 -0.017 0.000 3/40320 630.0 0.416 0.417 0.487 0.000 -0.016 0.000 3/40320 640.0 0.409 0.411 0.480 0.000 -0.016 0.000 3/40320 650.0 0.403 0.404 0.473 0.000 -0.016 0.000 3/40320 660.0 0.397 0.398 0.465 0.000 -0.015 0.000 3/40320 670.0 0.392 0.392 0.459 0.000 -0.015 0.000 3/40320 680.0 0.386 0.387 0.452 0.000 -0.015 0.000 3/40320 690.0 0.381 0.381 0.445 0.000 -0.015 0.000 3/40320 700.0 0.375 0.376 0.439 0.000 -0.014 0.000 3/40320 710.0 0.370 0.371 0.433 0.000 -0.014 0.000 3/40320 720.0 0.365 0.365 0.427 0.000 -0.014 0.000 3/40320 730.0 0.360 0.360 0.421 0.000 -0.014 0.000 3/40320 740.0 0.355 0.356 0.416 0.000 -0.013 0.000 3/40320 750.0 0.351 0.351 0.410 0.000 -0.013 0.000 3/40320 760.0 0.346 0.346 0.405 0.000 -0.013 0.000 3/40320 770.0 0.342 0.342 0.400 0.000 -0.013 0.000 3/40320 780.0 0.338 0.338 0.395 0.000 -0.013 0.000 3/40320 790.0 0.333 0.333 0.390 0.000 -0.012 0.000 3/40320 800.0 0.329 0.329 0.385 0.000 -0.012 0.000 3/40320 810.0 0.325 0.325 0.380 0.000 -0.012 0.000 3/40320 820.0 0.322 0.321 0.376 0.000 -0.012 0.000 3/40320 830.0 0.318 0.317 0.371 0.000 -0.012 0.000 3/40320 840.0 0.314 0.314 0.367 0.000 -0.012 0.000 3/40320 850.0 0.310 0.310 0.362 0.000 -0.011 0.000 3/40320 860.0 0.307 0.306 0.358 0.000 -0.011 0.000 3/40320 870.0 0.303 0.303 0.354 0.000 -0.011 0.000 3/40320 880.0 0.300 0.300 0.350 0.000 -0.011 0.000 3/40320 890.0 0.297 0.296 0.346 0.000 -0.011 0.000 3/40320 900.0 0.294 0.293 0.342 0.000 -0.011 0.000 3/40320 910.0 0.290 0.290 0.339 0.000 -0.011 0.000 3/40320 920.0 0.287 0.287 0.335 0.000 -0.010 0.000 3/40320 930.0 0.284 0.284 0.331 0.000 -0.010 0.000 3/40320 940.0 0.281 0.281 0.328 0.000 -0.010 0.000 3/40320 950.0 0.278 0.278 0.325 0.000 -0.010 0.000 3/40320 960.0 0.275 0.275 0.321 0.000 -0.010 0.000 3/40320 970.0 0.273 0.272 0.318 0.000 -0.010 0.000 3/40320 980.0 0.270 0.269 0.315 0.000 -0.010 0.000 3/40320 990.0 0.267 0.266 0.312 0.000 -0.010 0.000 3/40320 1000.0 0.265 0.264 0.308 0.000 -0.010 0.000 3/40320 Thermal conductivity related properties were written into "kappa-m856.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:47:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|