----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.207215890787475 0.000000000000000 0.000000000000000 b 0.000000000000000 6.461615269999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): *1 Cs 0.09938182376783 0.87699184457792 0.15474898733841 132.905 2 Cs 0.09938182376783 0.62300815542208 0.65474898733841 132.905 3 Cs 0.90061817623217 0.37699184457792 0.34525101266159 132.905 4 Cs 0.90061817623217 0.12300815542208 0.84525101266159 132.905 *5 As 0.52943378483825 0.89116173745999 0.42130951094078 74.922 6 As 0.47056621516175 0.39116173745999 0.07869048905922 74.922 7 As 0.47056621516175 0.10883826254001 0.57869048905922 74.922 8 As 0.52943378483825 0.60883826254001 0.92130951094078 74.922 *9 O 0.29852492396426 0.90955118940312 0.50638618751487 15.999 10 O 0.70147507603574 0.40955118940312 0.99361381248513 15.999 11 O 0.29852492396426 0.59044881059688 0.00638618751487 15.999 12 O 0.70147507603574 0.09044881059688 0.49361381248513 15.999 *13 F 0.29651369513802 0.31694520702576 0.51762382036182 18.998 *14 F 0.65325563216689 0.30101985329287 0.64675881616454 18.998 15 F 0.34674436783311 0.69898014670713 0.35324118383546 18.998 *16 F 0.36250957558392 0.42217158388199 0.84186851016283 18.998 17 F 0.63749042441608 0.92217158388199 0.65813148983717 18.998 *18 F 0.76653327127061 0.88707272943267 0.34115550170656 18.998 19 F 0.76653327127061 0.61292727056733 0.84115550170656 18.998 20 F 0.34674436783311 0.80101985329287 0.85324118383546 18.998 21 F 0.70348630486198 0.81694520702576 0.98237617963818 18.998 22 F 0.70348630486198 0.68305479297424 0.48237617963817 18.998 23 F 0.23346672872939 0.11292727056733 0.65884449829344 18.998 24 F 0.63749042441608 0.57782841611801 0.15813148983717 18.998 25 F 0.36250957558392 0.07782841611801 0.34186851016283 18.998 26 F 0.29651369513802 0.18305479297424 0.01762382036183 18.998 27 F 0.23346672872939 0.38707272943267 0.15884449829344 18.998 28 F 0.65325563216689 0.19898014670713 0.14675881616454 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.207215890787475 0.000000000000000 0.000000000000000 b 0.000000000000000 6.461615269999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): *1 Cs 0.09938182376783 0.87699184457792 0.15474898733841 132.905 > 1 2 Cs 0.09938182376783 0.62300815542208 0.65474898733841 132.905 > 2 3 Cs 0.90061817623217 0.37699184457792 0.34525101266159 132.905 > 3 4 Cs 0.90061817623217 0.12300815542208 0.84525101266159 132.905 > 4 *5 As 0.52943378483825 0.89116173745999 0.42130951094078 74.922 > 5 6 As 0.47056621516175 0.39116173745999 0.07869048905922 74.922 > 6 7 As 0.47056621516175 0.10883826254001 0.57869048905922 74.922 > 7 8 As 0.52943378483825 0.60883826254001 0.92130951094078 74.922 > 8 *9 O 0.29852492396426 0.90955118940312 0.50638618751487 15.999 > 9 10 O 0.70147507603574 0.40955118940312 0.99361381248513 15.999 > 10 11 O 0.29852492396426 0.59044881059688 0.00638618751487 15.999 > 11 12 O 0.70147507603574 0.09044881059688 0.49361381248513 15.999 > 12 *13 F 0.29651369513802 0.31694520702576 0.51762382036182 18.998 > 13 *14 F 0.65325563216689 0.30101985329287 0.64675881616454 18.998 > 14 15 F 0.34674436783311 0.69898014670713 0.35324118383546 18.998 > 15 *16 F 0.36250957558392 0.42217158388199 0.84186851016283 18.998 > 16 17 F 0.63749042441608 0.92217158388199 0.65813148983717 18.998 > 17 *18 F 0.76653327127061 0.88707272943267 0.34115550170656 18.998 > 18 19 F 0.76653327127061 0.61292727056733 0.84115550170656 18.998 > 19 20 F 0.34674436783311 0.80101985329287 0.85324118383546 18.998 > 20 21 F 0.70348630486198 0.81694520702576 0.98237617963818 18.998 > 21 22 F 0.70348630486198 0.68305479297424 0.48237617963817 18.998 > 22 23 F 0.23346672872939 0.11292727056733 0.65884449829344 18.998 > 23 24 F 0.63749042441608 0.57782841611801 0.15813148983717 18.998 > 24 25 F 0.36250957558392 0.07782841611801 0.34186851016283 18.998 > 25 26 F 0.29651369513802 0.18305479297424 0.01762382036183 18.998 > 26 27 F 0.23346672872939 0.38707272943267 0.15884449829344 18.998 > 27 28 F 0.65325563216689 0.19898014670713 0.14675881616454 18.998 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.414431781574949 0.000000000000000 0.000000000000000 b 0.000000000000000 12.923230539999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): *1 Cs 0.04969091188391 0.43849592228896 0.15474898733841 132.905 > 1 2 Cs 0.54969091188391 0.43849592228896 0.15474898733841 132.905 > 1 3 Cs 0.04969091188391 0.93849592228896 0.15474898733841 132.905 > 1 4 Cs 0.54969091188391 0.93849592228896 0.15474898733841 132.905 > 1 5 Cs 0.04969091188391 0.31150407771104 0.65474898733841 132.905 > 2 6 Cs 0.54969091188391 0.31150407771104 0.65474898733841 132.905 > 2 7 Cs 0.04969091188391 0.81150407771104 0.65474898733841 132.905 > 2 8 Cs 0.54969091188391 0.81150407771104 0.65474898733841 132.905 > 2 9 Cs 0.45030908811609 0.18849592228896 0.34525101266159 132.905 > 3 10 Cs 0.95030908811609 0.18849592228896 0.34525101266159 132.905 > 3 11 Cs 0.45030908811609 0.68849592228896 0.34525101266159 132.905 > 3 12 Cs 0.95030908811609 0.68849592228896 0.34525101266159 132.905 > 3 13 Cs 0.45030908811609 0.06150407771104 0.84525101266159 132.905 > 4 14 Cs 0.95030908811609 0.06150407771104 0.84525101266159 132.905 > 4 15 Cs 0.45030908811609 0.56150407771104 0.84525101266159 132.905 > 4 16 Cs 0.95030908811609 0.56150407771104 0.84525101266159 132.905 > 4 *17 As 0.26471689241912 0.44558086873000 0.42130951094078 74.922 > 5 18 As 0.76471689241912 0.44558086873000 0.42130951094078 74.922 > 5 19 As 0.26471689241912 0.94558086873000 0.42130951094078 74.922 > 5 20 As 0.76471689241912 0.94558086873000 0.42130951094078 74.922 > 5 21 As 0.23528310758088 0.19558086873000 0.07869048905922 74.922 > 6 22 As 0.73528310758088 0.19558086873000 0.07869048905922 74.922 > 6 23 As 0.23528310758088 0.69558086873000 0.07869048905922 74.922 > 6 24 As 0.73528310758088 0.69558086873000 0.07869048905922 74.922 > 6 25 As 0.23528310758088 0.05441913127000 0.57869048905922 74.922 > 7 26 As 0.73528310758088 0.05441913127000 0.57869048905922 74.922 > 7 27 As 0.23528310758088 0.55441913127000 0.57869048905922 74.922 > 7 28 As 0.73528310758088 0.55441913127000 0.57869048905922 74.922 > 7 29 As 0.26471689241912 0.30441913127000 0.92130951094078 74.922 > 8 30 As 0.76471689241912 0.30441913127000 0.92130951094078 74.922 > 8 31 As 0.26471689241912 0.80441913127000 0.92130951094078 74.922 > 8 32 As 0.76471689241912 0.80441913127000 0.92130951094078 74.922 > 8 *33 O 0.14926246198213 0.45477559470156 0.50638618751487 15.999 > 9 34 O 0.64926246198213 0.45477559470156 0.50638618751487 15.999 > 9 35 O 0.14926246198213 0.95477559470156 0.50638618751487 15.999 > 9 36 O 0.64926246198213 0.95477559470156 0.50638618751487 15.999 > 9 37 O 0.35073753801787 0.20477559470156 0.99361381248513 15.999 > 10 38 O 0.85073753801787 0.20477559470156 0.99361381248513 15.999 > 10 39 O 0.35073753801787 0.70477559470156 0.99361381248513 15.999 > 10 40 O 0.85073753801787 0.70477559470156 0.99361381248513 15.999 > 10 41 O 0.14926246198213 0.29522440529844 0.00638618751487 15.999 > 11 42 O 0.64926246198213 0.29522440529844 0.00638618751487 15.999 > 11 43 O 0.14926246198213 0.79522440529844 0.00638618751487 15.999 > 11 44 O 0.64926246198213 0.79522440529844 0.00638618751487 15.999 > 11 45 O 0.35073753801787 0.04522440529844 0.49361381248513 15.999 > 12 46 O 0.85073753801787 0.04522440529844 0.49361381248513 15.999 > 12 47 O 0.35073753801787 0.54522440529844 0.49361381248513 15.999 > 12 48 O 0.85073753801787 0.54522440529844 0.49361381248513 15.999 > 12 *49 F 0.14825684756901 0.15847260351288 0.51762382036182 18.998 > 13 50 F 0.64825684756901 0.15847260351288 0.51762382036182 18.998 > 13 51 F 0.14825684756901 0.65847260351288 0.51762382036182 18.998 > 13 52 F 0.64825684756901 0.65847260351288 0.51762382036182 18.998 > 13 *53 F 0.32662781608344 0.15050992664644 0.64675881616454 18.998 > 14 54 F 0.82662781608344 0.15050992664644 0.64675881616454 18.998 > 14 55 F 0.32662781608344 0.65050992664644 0.64675881616454 18.998 > 14 56 F 0.82662781608344 0.65050992664644 0.64675881616454 18.998 > 14 57 F 0.17337218391656 0.34949007335356 0.35324118383546 18.998 > 15 58 F 0.67337218391656 0.34949007335356 0.35324118383546 18.998 > 15 59 F 0.17337218391656 0.84949007335356 0.35324118383546 18.998 > 15 60 F 0.67337218391656 0.84949007335356 0.35324118383546 18.998 > 15 *61 F 0.18125478779196 0.21108579194099 0.84186851016283 18.998 > 16 62 F 0.68125478779196 0.21108579194099 0.84186851016283 18.998 > 16 63 F 0.18125478779196 0.71108579194099 0.84186851016283 18.998 > 16 64 F 0.68125478779196 0.71108579194099 0.84186851016283 18.998 > 16 65 F 0.31874521220804 0.46108579194100 0.65813148983717 18.998 > 17 66 F 0.81874521220804 0.46108579194100 0.65813148983717 18.998 > 17 67 F 0.31874521220804 0.96108579194099 0.65813148983717 18.998 > 17 68 F 0.81874521220804 0.96108579194099 0.65813148983717 18.998 > 17 *69 F 0.38326663563531 0.44353636471634 0.34115550170656 18.998 > 18 70 F 0.88326663563531 0.44353636471634 0.34115550170656 18.998 > 18 71 F 0.38326663563531 0.94353636471634 0.34115550170656 18.998 > 18 72 F 0.88326663563531 0.94353636471634 0.34115550170656 18.998 > 18 73 F 0.38326663563531 0.30646363528366 0.84115550170656 18.998 > 19 74 F 0.88326663563531 0.30646363528366 0.84115550170656 18.998 > 19 75 F 0.38326663563531 0.80646363528366 0.84115550170656 18.998 > 19 76 F 0.88326663563531 0.80646363528366 0.84115550170656 18.998 > 19 77 F 0.17337218391656 0.40050992664644 0.85324118383546 18.998 > 20 78 F 0.67337218391656 0.40050992664644 0.85324118383546 18.998 > 20 79 F 0.17337218391656 0.90050992664644 0.85324118383546 18.998 > 20 80 F 0.67337218391656 0.90050992664644 0.85324118383546 18.998 > 20 81 F 0.35174315243099 0.40847260351288 0.98237617963818 18.998 > 21 82 F 0.85174315243099 0.40847260351288 0.98237617963818 18.998 > 21 83 F 0.35174315243099 0.90847260351288 0.98237617963818 18.998 > 21 84 F 0.85174315243099 0.90847260351288 0.98237617963818 18.998 > 21 85 F 0.35174315243099 0.34152739648712 0.48237617963817 18.998 > 22 86 F 0.85174315243099 0.34152739648712 0.48237617963817 18.998 > 22 87 F 0.35174315243099 0.84152739648712 0.48237617963817 18.998 > 22 88 F 0.85174315243099 0.84152739648712 0.48237617963817 18.998 > 22 89 F 0.11673336436469 0.05646363528366 0.65884449829344 18.998 > 23 90 F 0.61673336436469 0.05646363528366 0.65884449829344 18.998 > 23 91 F 0.11673336436469 0.55646363528366 0.65884449829344 18.998 > 23 92 F 0.61673336436469 0.55646363528366 0.65884449829344 18.998 > 23 93 F 0.31874521220804 0.28891420805900 0.15813148983717 18.998 > 24 94 F 0.81874521220804 0.28891420805900 0.15813148983717 18.998 > 24 95 F 0.31874521220804 0.78891420805901 0.15813148983717 18.998 > 24 96 F 0.81874521220804 0.78891420805901 0.15813148983717 18.998 > 24 97 F 0.18125478779196 0.03891420805901 0.34186851016283 18.998 > 25 98 F 0.68125478779196 0.03891420805901 0.34186851016283 18.998 > 25 99 F 0.18125478779196 0.53891420805901 0.34186851016283 18.998 > 25 100 F 0.68125478779196 0.53891420805901 0.34186851016283 18.998 > 25 101 F 0.14825684756901 0.09152739648712 0.01762382036183 18.998 > 26 102 F 0.64825684756901 0.09152739648712 0.01762382036183 18.998 > 26 103 F 0.14825684756901 0.59152739648712 0.01762382036183 18.998 > 26 104 F 0.64825684756901 0.59152739648712 0.01762382036183 18.998 > 26 105 F 0.11673336436469 0.19353636471634 0.15884449829344 18.998 > 27 106 F 0.61673336436469 0.19353636471634 0.15884449829344 18.998 > 27 107 F 0.11673336436469 0.69353636471634 0.15884449829344 18.998 > 27 108 F 0.61673336436469 0.69353636471634 0.15884449829344 18.998 > 27 109 F 0.32662781608344 0.09949007335356 0.14675881616454 18.998 > 28 110 F 0.82662781608344 0.09949007335356 0.14675881616454 18.998 > 28 111 F 0.32662781608344 0.59949007335356 0.14675881616454 18.998 > 28 112 F 0.82662781608344 0.59949007335356 0.14675881616454 18.998 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2255710 0.0000000 -0.0292556 0.0000000 2.2741429 0.0000000 -0.0292713 0.0000000 2.3356888 -------------------------- Born effective charges -------------------------- 1 Cs 1.3302548 -0.0043775 0.0069251 0.0316243 1.4050591 0.0968253 0.0538253 0.0674659 1.4187677 2 Cs 1.3302548 0.0043775 0.0069251 -0.0316243 1.4050591 -0.0968253 0.0538253 -0.0674659 1.4187677 3 Cs 1.3302548 0.0043775 0.0069251 -0.0316243 1.4050591 -0.0968253 0.0538253 -0.0674659 1.4187677 4 Cs 1.3302548 -0.0043775 0.0069251 0.0316243 1.4050591 0.0968253 0.0538253 0.0674659 1.4187677 5 As 3.4007854 -0.3334747 0.0064094 -0.2294920 3.7081505 0.1887681 -0.1135415 0.2825980 4.0133439 6 As 3.4007854 0.3334747 0.0064094 0.2294920 3.7081505 -0.1887681 -0.1135415 -0.2825980 4.0133439 7 As 3.4007854 -0.3334747 0.0064094 -0.2294920 3.7081505 0.1887681 -0.1135415 0.2825980 4.0133439 8 As 3.4007854 0.3334747 0.0064094 0.2294920 3.7081505 -0.1887681 -0.1135415 -0.2825980 4.0133439 9 O -1.1806930 -0.1176440 0.2323131 -0.1302155 -1.1507884 -0.2295341 0.2707925 -0.2576053 -1.4221274 10 O -1.1806930 0.1176440 0.2323131 0.1302155 -1.1507884 0.2295341 0.2707925 0.2576053 -1.4221274 11 O -1.1806930 0.1176440 0.2323131 0.1302155 -1.1507884 0.2295341 0.2707925 0.2576053 -1.4221274 12 O -1.1806930 -0.1176440 0.2323131 -0.1302155 -1.1507884 -0.2295341 0.2707925 -0.2576053 -1.4221274 13 F -0.8545672 0.4237915 -0.1858524 0.4093869 -1.2230414 0.2179244 -0.0964953 0.0739440 -0.8179257 14 F -0.8286733 -0.2304721 -0.2315145 -0.2414298 -1.0388437 -0.3067239 -0.2222300 -0.3344901 -0.9955194 15 F -0.8286733 -0.2304721 -0.2315145 -0.2414298 -1.0388437 -0.3067239 -0.2222300 -0.3344901 -0.9955194 16 F -0.8176884 -0.1947280 -0.2337676 -0.1851904 -0.9307846 -0.2303673 -0.2894447 -0.3366526 -1.1916330 17 F -0.8176884 0.1947280 -0.2337676 0.1851904 -0.9307846 0.2303673 -0.2894447 0.3366526 -1.1916330 18 F -1.0494183 0.0421164 0.4054869 0.0182764 -0.7697515 -0.0528652 0.3970936 -0.0638836 -1.0049061 19 F -1.0494183 -0.0421164 0.4054869 -0.0182764 -0.7697515 0.0528652 0.3970936 0.0638836 -1.0049061 20 F -0.8286733 0.2304721 -0.2315145 0.2414298 -1.0388437 0.3067239 -0.2222300 0.3344901 -0.9955194 21 F -0.8545672 -0.4237915 -0.1858524 -0.4093869 -1.2230414 -0.2179244 -0.0964953 -0.0739440 -0.8179257 22 F -0.8545672 0.4237915 -0.1858524 0.4093869 -1.2230414 0.2179244 -0.0964953 0.0739440 -0.8179257 23 F -1.0494183 0.0421164 0.4054869 0.0182764 -0.7697515 -0.0528652 0.3970936 -0.0638836 -1.0049061 24 F -0.8176884 -0.1947280 -0.2337676 -0.1851904 -0.9307846 -0.2303673 -0.2894447 -0.3366526 -1.1916330 25 F -0.8176884 0.1947280 -0.2337676 0.1851904 -0.9307846 0.2303673 -0.2894447 0.3366526 -1.1916330 26 F -0.8545672 -0.4237915 -0.1858524 -0.4093869 -1.2230414 -0.2179244 -0.0964953 -0.0739440 -0.8179257 27 F -1.0494183 -0.0421164 0.4054869 -0.0182764 -0.7697515 0.0528652 0.3970936 0.0638836 -1.0049061 28 F -0.8286733 0.2304721 -0.2315145 0.2414298 -1.0388437 0.3067239 -0.2222300 0.3344901 -0.9955194 ---------------------------------------------------------------------------- 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: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.013 Solver_block: 200 / 880 - Time: 0.877 Solver_block: 300 / 880 - Time: 0.876 Solver_block: 400 / 880 - Time: 0.876 Solver_block: 500 / 880 - Time: 0.876 Solver_block: 600 / 880 - Time: 0.877 Solver_block: 700 / 880 - Time: 0.875 Solver_block: 800 / 880 - Time: 0.885 Solver_block: 880 / 880 - Time: 0.779 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.110 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 271 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 13), data: (784, 27) @ (27, 13) |-- (284, 271), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), 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 17:31:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:31:04]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.207215890787475 0.000000000000000 0.000000000000000 b 0.000000000000000 6.461615269999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): 1 Cs 0.09938182376783 0.87699184457792 0.15474898733841 132.905 2 Cs 0.09938182376783 0.62300815542208 0.65474898733841 132.905 3 Cs 0.90061817623217 0.37699184457792 0.34525101266159 132.905 4 Cs 0.90061817623217 0.12300815542208 0.84525101266159 132.905 5 As 0.52943378483825 0.89116173745999 0.42130951094078 74.922 6 As 0.47056621516175 0.39116173745999 0.07869048905922 74.922 7 As 0.47056621516175 0.10883826254001 0.57869048905922 74.922 8 As 0.52943378483825 0.60883826254001 0.92130951094078 74.922 9 O 0.29852492396426 0.90955118940312 0.50638618751487 15.999 10 O 0.70147507603574 0.40955118940312 0.99361381248513 15.999 11 O 0.29852492396426 0.59044881059688 0.00638618751487 15.999 12 O 0.70147507603574 0.09044881059688 0.49361381248513 15.999 13 F 0.29651369513802 0.31694520702576 0.51762382036182 18.998 14 F 0.65325563216689 0.30101985329287 0.64675881616454 18.998 15 F 0.34674436783311 0.69898014670713 0.35324118383546 18.998 16 F 0.36250957558392 0.42217158388199 0.84186851016283 18.998 17 F 0.63749042441608 0.92217158388199 0.65813148983717 18.998 18 F 0.76653327127061 0.88707272943267 0.34115550170656 18.998 19 F 0.76653327127061 0.61292727056733 0.84115550170656 18.998 20 F 0.34674436783311 0.80101985329287 0.85324118383546 18.998 21 F 0.70348630486198 0.81694520702576 0.98237617963818 18.998 22 F 0.70348630486198 0.68305479297424 0.48237617963817 18.998 23 F 0.23346672872939 0.11292727056733 0.65884449829344 18.998 24 F 0.63749042441608 0.57782841611801 0.15813148983717 18.998 25 F 0.36250957558392 0.07782841611801 0.34186851016283 18.998 26 F 0.29651369513802 0.18305479297424 0.01762382036183 18.998 27 F 0.23346672872939 0.38707272943267 0.15884449829344 18.998 28 F 0.65325563216689 0.19898014670713 0.14675881616454 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.414431781574949 0.000000000000000 0.000000000000000 b 0.000000000000000 12.923230539999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): 1 Cs 0.04969091188391 0.43849592228896 0.15474898733841 132.905 > 1 2 Cs 0.54969091188391 0.43849592228896 0.15474898733841 132.905 > 1 3 Cs 0.04969091188391 0.93849592228896 0.15474898733841 132.905 > 1 4 Cs 0.54969091188391 0.93849592228896 0.15474898733841 132.905 > 1 5 Cs 0.04969091188391 0.31150407771104 0.65474898733841 132.905 > 5 6 Cs 0.54969091188391 0.31150407771104 0.65474898733841 132.905 > 5 7 Cs 0.04969091188391 0.81150407771104 0.65474898733841 132.905 > 5 8 Cs 0.54969091188391 0.81150407771104 0.65474898733841 132.905 > 5 9 Cs 0.45030908811609 0.18849592228896 0.34525101266159 132.905 > 9 10 Cs 0.95030908811609 0.18849592228896 0.34525101266159 132.905 > 9 11 Cs 0.45030908811609 0.68849592228896 0.34525101266159 132.905 > 9 12 Cs 0.95030908811609 0.68849592228896 0.34525101266159 132.905 > 9 13 Cs 0.45030908811609 0.06150407771104 0.84525101266159 132.905 > 13 14 Cs 0.95030908811609 0.06150407771104 0.84525101266159 132.905 > 13 15 Cs 0.45030908811609 0.56150407771104 0.84525101266159 132.905 > 13 16 Cs 0.95030908811609 0.56150407771104 0.84525101266159 132.905 > 13 17 As 0.26471689241912 0.44558086873000 0.42130951094078 74.922 > 17 18 As 0.76471689241912 0.44558086873000 0.42130951094078 74.922 > 17 19 As 0.26471689241912 0.94558086873000 0.42130951094078 74.922 > 17 20 As 0.76471689241912 0.94558086873000 0.42130951094078 74.922 > 17 21 As 0.23528310758088 0.19558086873000 0.07869048905922 74.922 > 21 22 As 0.73528310758088 0.19558086873000 0.07869048905922 74.922 > 21 23 As 0.23528310758088 0.69558086873000 0.07869048905922 74.922 > 21 24 As 0.73528310758088 0.69558086873000 0.07869048905922 74.922 > 21 25 As 0.23528310758088 0.05441913127000 0.57869048905922 74.922 > 25 26 As 0.73528310758088 0.05441913127000 0.57869048905922 74.922 > 25 27 As 0.23528310758088 0.55441913127000 0.57869048905922 74.922 > 25 28 As 0.73528310758088 0.55441913127000 0.57869048905922 74.922 > 25 29 As 0.26471689241912 0.30441913127000 0.92130951094078 74.922 > 29 30 As 0.76471689241912 0.30441913127000 0.92130951094078 74.922 > 29 31 As 0.26471689241912 0.80441913127000 0.92130951094078 74.922 > 29 32 As 0.76471689241912 0.80441913127000 0.92130951094078 74.922 > 29 33 O 0.14926246198213 0.45477559470156 0.50638618751487 15.999 > 33 34 O 0.64926246198213 0.45477559470156 0.50638618751487 15.999 > 33 35 O 0.14926246198213 0.95477559470156 0.50638618751487 15.999 > 33 36 O 0.64926246198213 0.95477559470156 0.50638618751487 15.999 > 33 37 O 0.35073753801787 0.20477559470156 0.99361381248513 15.999 > 37 38 O 0.85073753801787 0.20477559470156 0.99361381248513 15.999 > 37 39 O 0.35073753801787 0.70477559470156 0.99361381248513 15.999 > 37 40 O 0.85073753801787 0.70477559470156 0.99361381248513 15.999 > 37 41 O 0.14926246198213 0.29522440529844 0.00638618751487 15.999 > 41 42 O 0.64926246198213 0.29522440529844 0.00638618751487 15.999 > 41 43 O 0.14926246198213 0.79522440529844 0.00638618751487 15.999 > 41 44 O 0.64926246198213 0.79522440529844 0.00638618751487 15.999 > 41 45 O 0.35073753801787 0.04522440529844 0.49361381248513 15.999 > 45 46 O 0.85073753801787 0.04522440529844 0.49361381248513 15.999 > 45 47 O 0.35073753801787 0.54522440529844 0.49361381248513 15.999 > 45 48 O 0.85073753801787 0.54522440529844 0.49361381248513 15.999 > 45 49 F 0.14825684756901 0.15847260351288 0.51762382036182 18.998 > 49 50 F 0.64825684756901 0.15847260351288 0.51762382036182 18.998 > 49 51 F 0.14825684756901 0.65847260351288 0.51762382036182 18.998 > 49 52 F 0.64825684756901 0.65847260351288 0.51762382036182 18.998 > 49 53 F 0.32662781608344 0.15050992664644 0.64675881616454 18.998 > 53 54 F 0.82662781608344 0.15050992664644 0.64675881616454 18.998 > 53 55 F 0.32662781608344 0.65050992664644 0.64675881616454 18.998 > 53 56 F 0.82662781608344 0.65050992664644 0.64675881616454 18.998 > 53 57 F 0.17337218391656 0.34949007335356 0.35324118383546 18.998 > 57 58 F 0.67337218391656 0.34949007335356 0.35324118383546 18.998 > 57 59 F 0.17337218391656 0.84949007335356 0.35324118383546 18.998 > 57 60 F 0.67337218391656 0.84949007335356 0.35324118383546 18.998 > 57 61 F 0.18125478779196 0.21108579194099 0.84186851016283 18.998 > 61 62 F 0.68125478779196 0.21108579194099 0.84186851016283 18.998 > 61 63 F 0.18125478779196 0.71108579194099 0.84186851016283 18.998 > 61 64 F 0.68125478779196 0.71108579194099 0.84186851016283 18.998 > 61 65 F 0.31874521220804 0.46108579194100 0.65813148983717 18.998 > 65 66 F 0.81874521220804 0.46108579194100 0.65813148983717 18.998 > 65 67 F 0.31874521220804 0.96108579194099 0.65813148983717 18.998 > 65 68 F 0.81874521220804 0.96108579194099 0.65813148983717 18.998 > 65 69 F 0.38326663563531 0.44353636471634 0.34115550170656 18.998 > 69 70 F 0.88326663563531 0.44353636471634 0.34115550170656 18.998 > 69 71 F 0.38326663563531 0.94353636471634 0.34115550170656 18.998 > 69 72 F 0.88326663563531 0.94353636471634 0.34115550170656 18.998 > 69 73 F 0.38326663563531 0.30646363528366 0.84115550170656 18.998 > 73 74 F 0.88326663563531 0.30646363528366 0.84115550170656 18.998 > 73 75 F 0.38326663563531 0.80646363528366 0.84115550170656 18.998 > 73 76 F 0.88326663563531 0.80646363528366 0.84115550170656 18.998 > 73 77 F 0.17337218391656 0.40050992664644 0.85324118383546 18.998 > 77 78 F 0.67337218391656 0.40050992664644 0.85324118383546 18.998 > 77 79 F 0.17337218391656 0.90050992664644 0.85324118383546 18.998 > 77 80 F 0.67337218391656 0.90050992664644 0.85324118383546 18.998 > 77 81 F 0.35174315243099 0.40847260351288 0.98237617963818 18.998 > 81 82 F 0.85174315243099 0.40847260351288 0.98237617963818 18.998 > 81 83 F 0.35174315243099 0.90847260351288 0.98237617963818 18.998 > 81 84 F 0.85174315243099 0.90847260351288 0.98237617963818 18.998 > 81 85 F 0.35174315243099 0.34152739648712 0.48237617963817 18.998 > 85 86 F 0.85174315243099 0.34152739648712 0.48237617963817 18.998 > 85 87 F 0.35174315243099 0.84152739648712 0.48237617963817 18.998 > 85 88 F 0.85174315243099 0.84152739648712 0.48237617963817 18.998 > 85 89 F 0.11673336436469 0.05646363528366 0.65884449829344 18.998 > 89 90 F 0.61673336436469 0.05646363528366 0.65884449829344 18.998 > 89 91 F 0.11673336436469 0.55646363528366 0.65884449829344 18.998 > 89 92 F 0.61673336436469 0.55646363528366 0.65884449829344 18.998 > 89 93 F 0.31874521220804 0.28891420805900 0.15813148983717 18.998 > 93 94 F 0.81874521220804 0.28891420805900 0.15813148983717 18.998 > 93 95 F 0.31874521220804 0.78891420805901 0.15813148983717 18.998 > 93 96 F 0.81874521220804 0.78891420805901 0.15813148983717 18.998 > 93 97 F 0.18125478779196 0.03891420805901 0.34186851016283 18.998 > 97 98 F 0.68125478779196 0.03891420805901 0.34186851016283 18.998 > 97 99 F 0.18125478779196 0.53891420805901 0.34186851016283 18.998 > 97 100 F 0.68125478779196 0.53891420805901 0.34186851016283 18.998 > 97 101 F 0.14825684756901 0.09152739648712 0.01762382036183 18.998 > 101 102 F 0.64825684756901 0.09152739648712 0.01762382036183 18.998 > 101 103 F 0.14825684756901 0.59152739648712 0.01762382036183 18.998 > 101 104 F 0.64825684756901 0.59152739648712 0.01762382036183 18.998 > 101 105 F 0.11673336436469 0.19353636471634 0.15884449829344 18.998 > 105 106 F 0.61673336436469 0.19353636471634 0.15884449829344 18.998 > 105 107 F 0.11673336436469 0.69353636471634 0.15884449829344 18.998 > 105 108 F 0.61673336436469 0.69353636471634 0.15884449829344 18.998 > 105 109 F 0.32662781608344 0.09949007335356 0.14675881616454 18.998 > 109 110 F 0.82662781608344 0.09949007335356 0.14675881616454 18.998 > 109 111 F 0.32662781608344 0.59949007335356 0.14675881616454 18.998 > 109 112 F 0.82662781608344 0.59949007335356 0.14675881616454 18.998 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2255710 0.0000000 -0.0292556 0.0000000 2.2741429 0.0000000 -0.0292713 0.0000000 2.3356888 -------------------------- Born effective charges -------------------------- 1 Cs 1.3302548 -0.0043775 0.0069251 0.0316243 1.4050591 0.0968253 0.0538253 0.0674659 1.4187677 2 Cs 1.3302548 0.0043775 0.0069251 -0.0316243 1.4050591 -0.0968253 0.0538253 -0.0674659 1.4187677 3 Cs 1.3302548 0.0043775 0.0069251 -0.0316243 1.4050591 -0.0968253 0.0538253 -0.0674659 1.4187677 4 Cs 1.3302548 -0.0043775 0.0069251 0.0316243 1.4050591 0.0968253 0.0538253 0.0674659 1.4187677 5 As 3.4007854 -0.3334747 0.0064094 -0.2294920 3.7081505 0.1887681 -0.1135415 0.2825980 4.0133439 6 As 3.4007854 0.3334747 0.0064094 0.2294920 3.7081505 -0.1887681 -0.1135415 -0.2825980 4.0133439 7 As 3.4007854 -0.3334747 0.0064094 -0.2294920 3.7081505 0.1887681 -0.1135415 0.2825980 4.0133439 8 As 3.4007854 0.3334747 0.0064094 0.2294920 3.7081505 -0.1887681 -0.1135415 -0.2825980 4.0133439 9 O -1.1806930 -0.1176440 0.2323131 -0.1302155 -1.1507884 -0.2295341 0.2707925 -0.2576053 -1.4221274 10 O -1.1806930 0.1176440 0.2323131 0.1302155 -1.1507884 0.2295341 0.2707925 0.2576053 -1.4221274 11 O -1.1806930 0.1176440 0.2323131 0.1302155 -1.1507884 0.2295341 0.2707925 0.2576053 -1.4221274 12 O -1.1806930 -0.1176440 0.2323131 -0.1302155 -1.1507884 -0.2295341 0.2707925 -0.2576053 -1.4221274 13 F -0.8545672 0.4237915 -0.1858524 0.4093869 -1.2230414 0.2179244 -0.0964953 0.0739440 -0.8179257 14 F -0.8286733 -0.2304721 -0.2315145 -0.2414298 -1.0388437 -0.3067239 -0.2222300 -0.3344901 -0.9955194 15 F -0.8286733 -0.2304721 -0.2315145 -0.2414298 -1.0388437 -0.3067239 -0.2222300 -0.3344901 -0.9955194 16 F -0.8176884 -0.1947280 -0.2337676 -0.1851904 -0.9307846 -0.2303673 -0.2894447 -0.3366526 -1.1916330 17 F -0.8176884 0.1947280 -0.2337676 0.1851904 -0.9307846 0.2303673 -0.2894447 0.3366526 -1.1916330 18 F -1.0494183 0.0421164 0.4054869 0.0182764 -0.7697515 -0.0528652 0.3970936 -0.0638836 -1.0049061 19 F -1.0494183 -0.0421164 0.4054869 -0.0182764 -0.7697515 0.0528652 0.3970936 0.0638836 -1.0049061 20 F -0.8286733 0.2304721 -0.2315145 0.2414298 -1.0388437 0.3067239 -0.2222300 0.3344901 -0.9955194 21 F -0.8545672 -0.4237915 -0.1858524 -0.4093869 -1.2230414 -0.2179244 -0.0964953 -0.0739440 -0.8179257 22 F -0.8545672 0.4237915 -0.1858524 0.4093869 -1.2230414 0.2179244 -0.0964953 0.0739440 -0.8179257 23 F -1.0494183 0.0421164 0.4054869 0.0182764 -0.7697515 -0.0528652 0.3970936 -0.0638836 -1.0049061 24 F -0.8176884 -0.1947280 -0.2337676 -0.1851904 -0.9307846 -0.2303673 -0.2894447 -0.3366526 -1.1916330 25 F -0.8176884 0.1947280 -0.2337676 0.1851904 -0.9307846 0.2303673 -0.2894447 0.3366526 -1.1916330 26 F -0.8545672 -0.4237915 -0.1858524 -0.4093869 -1.2230414 -0.2179244 -0.0964953 -0.0739440 -0.8179257 27 F -1.0494183 -0.0421164 0.4054869 -0.0182764 -0.7697515 0.0528652 0.3970936 0.0638836 -1.0049061 28 F -0.8286733 0.2304721 -0.2315145 0.2414298 -1.0388437 0.3067239 -0.2222300 0.3344901 -0.9955194 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 69, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 17:31:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:31:37]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.207215890787475 0.000000000000000 0.000000000000000 b 0.000000000000000 6.461615269999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): 1 Cs 0.09938182376783 0.87699184457792 0.15474898733841 132.905 2 Cs 0.09938182376783 0.62300815542208 0.65474898733841 132.905 3 Cs 0.90061817623217 0.37699184457792 0.34525101266159 132.905 4 Cs 0.90061817623217 0.12300815542208 0.84525101266159 132.905 5 As 0.52943378483825 0.89116173745999 0.42130951094078 74.922 6 As 0.47056621516175 0.39116173745999 0.07869048905922 74.922 7 As 0.47056621516175 0.10883826254001 0.57869048905922 74.922 8 As 0.52943378483825 0.60883826254001 0.92130951094078 74.922 9 O 0.29852492396426 0.90955118940312 0.50638618751487 15.999 10 O 0.70147507603574 0.40955118940312 0.99361381248513 15.999 11 O 0.29852492396426 0.59044881059688 0.00638618751487 15.999 12 O 0.70147507603574 0.09044881059688 0.49361381248513 15.999 13 F 0.29651369513802 0.31694520702576 0.51762382036182 18.998 14 F 0.65325563216689 0.30101985329287 0.64675881616454 18.998 15 F 0.34674436783311 0.69898014670713 0.35324118383546 18.998 16 F 0.36250957558392 0.42217158388199 0.84186851016283 18.998 17 F 0.63749042441608 0.92217158388199 0.65813148983717 18.998 18 F 0.76653327127061 0.88707272943267 0.34115550170656 18.998 19 F 0.76653327127061 0.61292727056733 0.84115550170656 18.998 20 F 0.34674436783311 0.80101985329287 0.85324118383546 18.998 21 F 0.70348630486198 0.81694520702576 0.98237617963818 18.998 22 F 0.70348630486198 0.68305479297424 0.48237617963817 18.998 23 F 0.23346672872939 0.11292727056733 0.65884449829344 18.998 24 F 0.63749042441608 0.57782841611801 0.15813148983717 18.998 25 F 0.36250957558392 0.07782841611801 0.34186851016283 18.998 26 F 0.29651369513802 0.18305479297424 0.01762382036183 18.998 27 F 0.23346672872939 0.38707272943267 0.15884449829344 18.998 28 F 0.65325563216689 0.19898014670713 0.14675881616454 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.414431781574949 0.000000000000000 0.000000000000000 b 0.000000000000000 12.923230539999999 0.000000000000000 c -1.720886490384875 0.000000000000000 14.066850093757932 Atomic positions (fractional): 1 Cs 0.04969091188391 0.43849592228896 0.15474898733841 132.905 > 1 2 Cs 0.54969091188391 0.43849592228896 0.15474898733841 132.905 > 1 3 Cs 0.04969091188391 0.93849592228896 0.15474898733841 132.905 > 1 4 Cs 0.54969091188391 0.93849592228896 0.15474898733841 132.905 > 1 5 Cs 0.04969091188391 0.31150407771104 0.65474898733841 132.905 > 5 6 Cs 0.54969091188391 0.31150407771104 0.65474898733841 132.905 > 5 7 Cs 0.04969091188391 0.81150407771104 0.65474898733841 132.905 > 5 8 Cs 0.54969091188391 0.81150407771104 0.65474898733841 132.905 > 5 9 Cs 0.45030908811609 0.18849592228896 0.34525101266159 132.905 > 9 10 Cs 0.95030908811609 0.18849592228896 0.34525101266159 132.905 > 9 11 Cs 0.45030908811609 0.68849592228896 0.34525101266159 132.905 > 9 12 Cs 0.95030908811609 0.68849592228896 0.34525101266159 132.905 > 9 13 Cs 0.45030908811609 0.06150407771104 0.84525101266159 132.905 > 13 14 Cs 0.95030908811609 0.06150407771104 0.84525101266159 132.905 > 13 15 Cs 0.45030908811609 0.56150407771104 0.84525101266159 132.905 > 13 16 Cs 0.95030908811609 0.56150407771104 0.84525101266159 132.905 > 13 17 As 0.26471689241912 0.44558086873000 0.42130951094078 74.922 > 17 18 As 0.76471689241912 0.44558086873000 0.42130951094078 74.922 > 17 19 As 0.26471689241912 0.94558086873000 0.42130951094078 74.922 > 17 20 As 0.76471689241912 0.94558086873000 0.42130951094078 74.922 > 17 21 As 0.23528310758088 0.19558086873000 0.07869048905922 74.922 > 21 22 As 0.73528310758088 0.19558086873000 0.07869048905922 74.922 > 21 23 As 0.23528310758088 0.69558086873000 0.07869048905922 74.922 > 21 24 As 0.73528310758088 0.69558086873000 0.07869048905922 74.922 > 21 25 As 0.23528310758088 0.05441913127000 0.57869048905922 74.922 > 25 26 As 0.73528310758088 0.05441913127000 0.57869048905922 74.922 > 25 27 As 0.23528310758088 0.55441913127000 0.57869048905922 74.922 > 25 28 As 0.73528310758088 0.55441913127000 0.57869048905922 74.922 > 25 29 As 0.26471689241912 0.30441913127000 0.92130951094078 74.922 > 29 30 As 0.76471689241912 0.30441913127000 0.92130951094078 74.922 > 29 31 As 0.26471689241912 0.80441913127000 0.92130951094078 74.922 > 29 32 As 0.76471689241912 0.80441913127000 0.92130951094078 74.922 > 29 33 O 0.14926246198213 0.45477559470156 0.50638618751487 15.999 > 33 34 O 0.64926246198213 0.45477559470156 0.50638618751487 15.999 > 33 35 O 0.14926246198213 0.95477559470156 0.50638618751487 15.999 > 33 36 O 0.64926246198213 0.95477559470156 0.50638618751487 15.999 > 33 37 O 0.35073753801787 0.20477559470156 0.99361381248513 15.999 > 37 38 O 0.85073753801787 0.20477559470156 0.99361381248513 15.999 > 37 39 O 0.35073753801787 0.70477559470156 0.99361381248513 15.999 > 37 40 O 0.85073753801787 0.70477559470156 0.99361381248513 15.999 > 37 41 O 0.14926246198213 0.29522440529844 0.00638618751487 15.999 > 41 42 O 0.64926246198213 0.29522440529844 0.00638618751487 15.999 > 41 43 O 0.14926246198213 0.79522440529844 0.00638618751487 15.999 > 41 44 O 0.64926246198213 0.79522440529844 0.00638618751487 15.999 > 41 45 O 0.35073753801787 0.04522440529844 0.49361381248513 15.999 > 45 46 O 0.85073753801787 0.04522440529844 0.49361381248513 15.999 > 45 47 O 0.35073753801787 0.54522440529844 0.49361381248513 15.999 > 45 48 O 0.85073753801787 0.54522440529844 0.49361381248513 15.999 > 45 49 F 0.14825684756901 0.15847260351288 0.51762382036182 18.998 > 49 50 F 0.64825684756901 0.15847260351288 0.51762382036182 18.998 > 49 51 F 0.14825684756901 0.65847260351288 0.51762382036182 18.998 > 49 52 F 0.64825684756901 0.65847260351288 0.51762382036182 18.998 > 49 53 F 0.32662781608344 0.15050992664644 0.64675881616454 18.998 > 53 54 F 0.82662781608344 0.15050992664644 0.64675881616454 18.998 > 53 55 F 0.32662781608344 0.65050992664644 0.64675881616454 18.998 > 53 56 F 0.82662781608344 0.65050992664644 0.64675881616454 18.998 > 53 57 F 0.17337218391656 0.34949007335356 0.35324118383546 18.998 > 57 58 F 0.67337218391656 0.34949007335356 0.35324118383546 18.998 > 57 59 F 0.17337218391656 0.84949007335356 0.35324118383546 18.998 > 57 60 F 0.67337218391656 0.84949007335356 0.35324118383546 18.998 > 57 61 F 0.18125478779196 0.21108579194099 0.84186851016283 18.998 > 61 62 F 0.68125478779196 0.21108579194099 0.84186851016283 18.998 > 61 63 F 0.18125478779196 0.71108579194099 0.84186851016283 18.998 > 61 64 F 0.68125478779196 0.71108579194099 0.84186851016283 18.998 > 61 65 F 0.31874521220804 0.46108579194100 0.65813148983717 18.998 > 65 66 F 0.81874521220804 0.46108579194100 0.65813148983717 18.998 > 65 67 F 0.31874521220804 0.96108579194099 0.65813148983717 18.998 > 65 68 F 0.81874521220804 0.96108579194099 0.65813148983717 18.998 > 65 69 F 0.38326663563531 0.44353636471634 0.34115550170656 18.998 > 69 70 F 0.88326663563531 0.44353636471634 0.34115550170656 18.998 > 69 71 F 0.38326663563531 0.94353636471634 0.34115550170656 18.998 > 69 72 F 0.88326663563531 0.94353636471634 0.34115550170656 18.998 > 69 73 F 0.38326663563531 0.30646363528366 0.84115550170656 18.998 > 73 74 F 0.88326663563531 0.30646363528366 0.84115550170656 18.998 > 73 75 F 0.38326663563531 0.80646363528366 0.84115550170656 18.998 > 73 76 F 0.88326663563531 0.80646363528366 0.84115550170656 18.998 > 73 77 F 0.17337218391656 0.40050992664644 0.85324118383546 18.998 > 77 78 F 0.67337218391656 0.40050992664644 0.85324118383546 18.998 > 77 79 F 0.17337218391656 0.90050992664644 0.85324118383546 18.998 > 77 80 F 0.67337218391656 0.90050992664644 0.85324118383546 18.998 > 77 81 F 0.35174315243099 0.40847260351288 0.98237617963818 18.998 > 81 82 F 0.85174315243099 0.40847260351288 0.98237617963818 18.998 > 81 83 F 0.35174315243099 0.90847260351288 0.98237617963818 18.998 > 81 84 F 0.85174315243099 0.90847260351288 0.98237617963818 18.998 > 81 85 F 0.35174315243099 0.34152739648712 0.48237617963817 18.998 > 85 86 F 0.85174315243099 0.34152739648712 0.48237617963817 18.998 > 85 87 F 0.35174315243099 0.84152739648712 0.48237617963817 18.998 > 85 88 F 0.85174315243099 0.84152739648712 0.48237617963817 18.998 > 85 89 F 0.11673336436469 0.05646363528366 0.65884449829344 18.998 > 89 90 F 0.61673336436469 0.05646363528366 0.65884449829344 18.998 > 89 91 F 0.11673336436469 0.55646363528366 0.65884449829344 18.998 > 89 92 F 0.61673336436469 0.55646363528366 0.65884449829344 18.998 > 89 93 F 0.31874521220804 0.28891420805900 0.15813148983717 18.998 > 93 94 F 0.81874521220804 0.28891420805900 0.15813148983717 18.998 > 93 95 F 0.31874521220804 0.78891420805901 0.15813148983717 18.998 > 93 96 F 0.81874521220804 0.78891420805901 0.15813148983717 18.998 > 93 97 F 0.18125478779196 0.03891420805901 0.34186851016283 18.998 > 97 98 F 0.68125478779196 0.03891420805901 0.34186851016283 18.998 > 97 99 F 0.18125478779196 0.53891420805901 0.34186851016283 18.998 > 97 100 F 0.68125478779196 0.53891420805901 0.34186851016283 18.998 > 97 101 F 0.14825684756901 0.09152739648712 0.01762382036183 18.998 > 101 102 F 0.64825684756901 0.09152739648712 0.01762382036183 18.998 > 101 103 F 0.14825684756901 0.59152739648712 0.01762382036183 18.998 > 101 104 F 0.64825684756901 0.59152739648712 0.01762382036183 18.998 > 101 105 F 0.11673336436469 0.19353636471634 0.15884449829344 18.998 > 105 106 F 0.61673336436469 0.19353636471634 0.15884449829344 18.998 > 105 107 F 0.11673336436469 0.69353636471634 0.15884449829344 18.998 > 105 108 F 0.61673336436469 0.69353636471634 0.15884449829344 18.998 > 105 109 F 0.32662781608344 0.09949007335356 0.14675881616454 18.998 > 109 110 F 0.82662781608344 0.09949007335356 0.14675881616454 18.998 > 109 111 F 0.32662781608344 0.59949007335356 0.14675881616454 18.998 > 109 112 F 0.82662781608344 0.59949007335356 0.14675881616454 18.998 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2255710 0.0000000 -0.0292556 0.0000000 2.2741429 0.0000000 -0.0292713 0.0000000 2.3356888 -------------------------- Born effective charges -------------------------- 1 Cs 1.3302548 -0.0043775 0.0069251 0.0316243 1.4050591 0.0968253 0.0538253 0.0674659 1.4187677 2 Cs 1.3302548 0.0043775 0.0069251 -0.0316243 1.4050591 -0.0968253 0.0538253 -0.0674659 1.4187677 3 Cs 1.3302548 0.0043775 0.0069251 -0.0316243 1.4050591 -0.0968253 0.0538253 -0.0674659 1.4187677 4 Cs 1.3302548 -0.0043775 0.0069251 0.0316243 1.4050591 0.0968253 0.0538253 0.0674659 1.4187677 5 As 3.4007854 -0.3334747 0.0064094 -0.2294920 3.7081505 0.1887681 -0.1135415 0.2825980 4.0133439 6 As 3.4007854 0.3334747 0.0064094 0.2294920 3.7081505 -0.1887681 -0.1135415 -0.2825980 4.0133439 7 As 3.4007854 -0.3334747 0.0064094 -0.2294920 3.7081505 0.1887681 -0.1135415 0.2825980 4.0133439 8 As 3.4007854 0.3334747 0.0064094 0.2294920 3.7081505 -0.1887681 -0.1135415 -0.2825980 4.0133439 9 O -1.1806930 -0.1176440 0.2323131 -0.1302155 -1.1507884 -0.2295341 0.2707925 -0.2576053 -1.4221274 10 O -1.1806930 0.1176440 0.2323131 0.1302155 -1.1507884 0.2295341 0.2707925 0.2576053 -1.4221274 11 O -1.1806930 0.1176440 0.2323131 0.1302155 -1.1507884 0.2295341 0.2707925 0.2576053 -1.4221274 12 O -1.1806930 -0.1176440 0.2323131 -0.1302155 -1.1507884 -0.2295341 0.2707925 -0.2576053 -1.4221274 13 F -0.8545672 0.4237915 -0.1858524 0.4093869 -1.2230414 0.2179244 -0.0964953 0.0739440 -0.8179257 14 F -0.8286733 -0.2304721 -0.2315145 -0.2414298 -1.0388437 -0.3067239 -0.2222300 -0.3344901 -0.9955194 15 F -0.8286733 -0.2304721 -0.2315145 -0.2414298 -1.0388437 -0.3067239 -0.2222300 -0.3344901 -0.9955194 16 F -0.8176884 -0.1947280 -0.2337676 -0.1851904 -0.9307846 -0.2303673 -0.2894447 -0.3366526 -1.1916330 17 F -0.8176884 0.1947280 -0.2337676 0.1851904 -0.9307846 0.2303673 -0.2894447 0.3366526 -1.1916330 18 F -1.0494183 0.0421164 0.4054869 0.0182764 -0.7697515 -0.0528652 0.3970936 -0.0638836 -1.0049061 19 F -1.0494183 -0.0421164 0.4054869 -0.0182764 -0.7697515 0.0528652 0.3970936 0.0638836 -1.0049061 20 F -0.8286733 0.2304721 -0.2315145 0.2414298 -1.0388437 0.3067239 -0.2222300 0.3344901 -0.9955194 21 F -0.8545672 -0.4237915 -0.1858524 -0.4093869 -1.2230414 -0.2179244 -0.0964953 -0.0739440 -0.8179257 22 F -0.8545672 0.4237915 -0.1858524 0.4093869 -1.2230414 0.2179244 -0.0964953 0.0739440 -0.8179257 23 F -1.0494183 0.0421164 0.4054869 0.0182764 -0.7697515 -0.0528652 0.3970936 -0.0638836 -1.0049061 24 F -0.8176884 -0.1947280 -0.2337676 -0.1851904 -0.9307846 -0.2303673 -0.2894447 -0.3366526 -1.1916330 25 F -0.8176884 0.1947280 -0.2337676 0.1851904 -0.9307846 0.2303673 -0.2894447 0.3366526 -1.1916330 26 F -0.8545672 -0.4237915 -0.1858524 -0.4093869 -1.2230414 -0.2179244 -0.0964953 -0.0739440 -0.8179257 27 F -1.0494183 -0.0421164 0.4054869 -0.0182764 -0.7697515 0.0528652 0.3970936 0.0638836 -1.0049061 28 F -0.8286733 0.2304721 -0.2315145 0.2414298 -1.0388437 0.3067239 -0.2222300 0.3344901 -0.9955194 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) 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 ... [ 10 8 4 ] 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: 0.53, Number of G-points: 313, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/110) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 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 0.465 ( 0.000 0.000 0.000) 0.000 0.930 ( 0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.597 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.856 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 10.878 ( 0.000 0.000 0.000) 0.000 10.889 ( 0.000 0.000 0.000) 0.000 11.003 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 14.264 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.873 ( 0.000 0.000 0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.534 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 16.195 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.283 ( 0.000 0.000 0.000) 0.000 17.283 ( 0.000 0.000 0.000) 0.000 17.291 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 18.046 ( 0.000 0.000 0.000) 0.000 18.083 ( 0.000 0.000 0.000) 0.000 18.401 ( 0.000 0.000 0.000) 0.000 18.904 ( 0.000 0.000 0.000) 0.000 18.949 ( 0.000 0.000 0.000) 0.000 19.326 ( 0.000 0.000 0.000) 0.000 19.370 ( 0.000 0.000 0.000) 0.000 19.788 ( 0.000 0.000 0.000) 0.000 20.615 ( 0.000 0.000 0.000) 0.000 21.609 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/110) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 12.578 0.000 2.684) 12.861 0.291 ( 15.599 0.000 -3.089) 15.901 0.469 ( 22.047 0.000 14.834) 26.573 0.599 ( 12.525 0.000 -3.114) 12.906 0.943 ( 0.824 0.000 6.092) 6.148 1.102 ( -1.201 0.000 -1.916) 2.262 1.124 ( 6.266 0.000 -3.832) 7.345 1.294 ( 0.775 0.000 -0.981) 1.250 1.392 ( -1.961 0.000 -0.388) 1.998 1.565 ( 2.137 0.000 1.760) 2.768 1.602 ( 3.210 0.000 -0.724) 3.291 1.643 ( -0.008 0.000 -7.073) 7.073 1.644 ( -1.325 0.000 -0.248) 1.348 1.835 ( 5.472 0.000 -1.761) 5.748 1.940 ( -2.626 0.000 -3.019) 4.001 2.004 ( -2.227 0.000 1.649) 2.771 2.060 ( -1.143 0.000 -0.832) 1.413 2.071 ( 2.559 0.000 2.791) 3.787 2.098 ( -1.285 0.000 -1.418) 1.913 2.224 ( -2.441 0.000 -9.223) 9.540 2.254 ( -1.776 0.000 0.036) 1.776 2.321 ( 2.326 0.000 -7.358) 7.717 2.410 ( -3.397 0.000 3.522) 4.893 2.699 ( -4.161 0.000 20.044) 20.472 3.466 ( 0.245 0.000 -0.365) 0.440 3.479 ( -0.271 0.000 0.108) 0.292 3.666 ( -0.028 0.000 -0.108) 0.111 3.691 ( -0.267 0.000 0.838) 0.879 4.769 ( 0.236 0.000 -0.234) 0.332 4.789 ( -0.243 0.000 -0.002) 0.243 5.214 ( -0.117 0.000 -0.198) 0.230 5.258 ( -0.426 0.000 0.093) 0.436 6.683 ( 0.360 0.000 0.513) 0.626 6.720 ( -0.517 0.000 -0.468) 0.697 6.928 ( -0.074 0.000 0.268) 0.278 6.935 ( 0.053 0.000 -0.435) 0.438 7.154 ( -0.653 0.000 0.241) 0.696 7.165 ( -0.440 0.000 -0.172) 0.472 7.675 ( 0.014 0.000 0.237) 0.238 7.699 ( -1.065 0.000 0.224) 1.088 8.126 ( -0.354 0.000 -0.010) 0.354 8.136 ( -0.476 0.000 0.010) 0.476 8.408 ( 0.611 0.000 0.104) 0.619 8.429 ( 0.706 0.000 -0.049) 0.708 8.794 ( 1.782 0.000 -0.571) 1.871 9.013 ( -0.098 0.000 -2.408) 2.410 9.612 ( -0.341 0.000 0.145) 0.371 9.629 ( -0.141 0.000 -1.444) 1.451 10.072 ( 0.155 0.000 -5.666) 5.668 10.584 ( -1.768 0.000 2.750) 3.269 10.848 ( -0.797 0.000 0.270) 0.842 10.855 ( -0.130 0.000 -0.034) 0.135 10.873 ( -0.772 0.000 -0.134) 0.784 10.889 ( -0.171 0.000 0.952) 0.967 10.921 ( -0.752 0.000 3.561) 3.640 11.000 ( -0.066 0.000 -0.793) 0.796 12.479 ( -0.592 0.000 0.716) 0.929 12.479 ( -1.593 0.000 -0.724) 1.750 13.042 ( -0.963 0.000 5.521) 5.605 13.051 ( -0.475 0.000 -0.879) 0.999 14.277 ( 1.219 0.000 0.611) 1.364 14.407 ( 0.406 0.000 0.007) 0.406 14.875 ( 0.113 0.000 0.384) 0.400 15.081 ( 0.201 0.000 -0.383) 0.432 15.566 ( 3.322 0.000 -0.256) 3.332 15.792 ( 6.447 0.000 0.341) 6.456 16.210 ( 1.474 0.000 -0.248) 1.495 16.515 ( 1.117 0.000 -4.474) 4.612 17.148 ( -0.841 0.000 0.861) 1.204 17.203 ( -4.428 0.000 0.588) 4.467 17.344 ( 2.708 0.000 -1.854) 3.282 17.370 ( -2.769 0.000 9.361) 9.762 17.804 ( -3.445 0.000 18.414) 18.734 18.046 ( -0.076 0.000 0.037) 0.084 18.074 ( -1.077 0.000 -0.056) 1.079 18.363 ( -3.545 0.000 -4.082) 5.407 18.890 ( -1.283 0.000 -0.331) 1.325 18.912 ( -3.167 0.000 0.782) 3.262 19.420 ( 8.623 0.000 -0.726) 8.653 19.726 ( -2.571 0.000 10.925) 11.223 20.506 ( -10.878 0.000 4.807) 11.892 20.524 ( 5.129 0.000 -31.535) 31.949 21.606 ( -0.279 0.000 -0.159) 0.321 21.612 ( -0.579 0.000 0.198) 0.612 ======================= Grid point 2 (3/110) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 13.215 0.000 1.958) 13.359 0.582 ( 15.363 0.000 -3.377) 15.730 0.864 ( 14.622 0.000 -3.424) 15.018 0.903 ( 19.184 0.000 12.686) 22.999 0.995 ( 3.003 0.000 7.156) 7.760 1.065 ( -1.251 0.000 -5.898) 6.029 1.260 ( 8.038 0.000 -5.386) 9.676 1.318 ( 2.547 0.000 0.400) 2.579 1.363 ( -1.103 0.000 1.420) 1.798 1.596 ( -2.239 0.000 -0.764) 2.366 1.598 ( -1.704 0.000 -4.989) 5.272 1.627 ( 1.782 0.000 0.457) 1.840 1.694 ( 5.015 0.000 0.280) 5.023 1.882 ( -0.676 0.000 -1.261) 1.430 1.893 ( -2.041 0.000 -8.190) 8.440 2.005 ( 3.031 0.000 3.295) 4.477 2.032 ( -1.913 0.000 1.519) 2.443 2.047 ( -3.443 0.000 -1.318) 3.686 2.117 ( 1.138 0.000 2.398) 2.654 2.152 ( -3.150 0.000 -5.046) 5.949 2.225 ( -0.602 0.000 1.149) 1.298 2.338 ( 0.664 0.000 -3.028) 3.100 2.340 ( -4.439 0.000 4.722) 6.481 2.646 ( -4.635 0.000 6.713) 8.158 3.468 ( 0.016 0.000 -0.488) 0.489 3.471 ( -0.644 0.000 0.487) 0.807 3.667 ( 0.168 0.000 -0.166) 0.236 3.688 ( -0.233 0.000 0.243) 0.336 4.773 ( 0.159 0.000 -0.467) 0.494 4.783 ( -0.395 0.000 0.485) 0.625 5.210 ( -0.246 0.000 -0.313) 0.398 5.247 ( -0.706 0.000 0.179) 0.728 6.695 ( 0.640 0.000 0.808) 1.031 6.708 ( -0.506 0.000 -0.791) 0.939 6.928 ( -0.002 0.000 0.497) 0.497 6.935 ( 0.061 0.000 -0.708) 0.711 7.138 ( -1.072 0.000 0.193) 1.090 7.153 ( -0.723 0.000 -0.099) 0.730 7.676 ( 0.006 0.000 0.369) 0.369 7.679 ( -0.857 0.000 0.156) 0.871 8.117 ( -0.607 0.000 -0.014) 0.607 8.123 ( -0.778 0.000 0.035) 0.779 8.425 ( 1.044 0.000 0.164) 1.057 8.447 ( 1.106 0.000 -0.062) 1.108 8.831 ( 2.055 0.000 -0.591) 2.138 9.002 ( -0.513 0.000 -1.095) 1.210 9.604 ( -0.520 0.000 0.213) 0.562 9.621 ( -0.370 0.000 -1.067) 1.129 10.058 ( -0.604 0.000 -2.420) 2.494 10.542 ( -3.380 0.000 3.932) 5.185 10.836 ( -0.532 0.000 0.207) 0.571 10.848 ( -1.477 0.000 -0.783) 1.671 10.850 ( -0.457 0.000 -0.006) 0.457 10.889 ( -0.159 0.000 1.781) 1.788 10.913 ( -0.500 0.000 0.118) 0.514 10.997 ( -0.136 0.000 -0.638) 0.652 12.440 ( -2.011 0.000 -1.351) 2.423 12.465 ( -0.982 0.000 1.112) 1.483 13.035 ( -0.668 0.000 1.952) 2.063 13.038 ( -0.572 0.000 -0.876) 1.046 14.309 ( 1.854 0.000 0.854) 2.041 14.418 ( 0.764 0.000 -0.514) 0.920 14.878 ( 0.071 0.000 0.635) 0.639 15.082 ( -0.066 0.000 -0.599) 0.602 15.654 ( 5.702 0.000 -0.351) 5.713 15.962 ( 10.512 0.000 1.092) 10.569 16.246 ( 2.222 0.000 -0.306) 2.243 16.530 ( 1.193 0.000 -2.296) 2.587 17.122 ( -3.803 0.000 -0.362) 3.820 17.129 ( -1.386 0.000 1.402) 1.971 17.325 ( -3.454 0.000 3.805) 5.139 17.377 ( 1.235 0.000 -1.487) 1.933 17.772 ( -3.096 0.000 8.582) 9.124 18.027 ( -4.523 0.000 -1.077) 4.649 18.044 ( -0.105 0.000 0.021) 0.107 18.253 ( -5.926 0.000 -4.499) 7.440 18.854 ( -2.830 0.000 0.988) 2.998 18.858 ( -1.839 0.000 -0.514) 1.910 19.597 ( 8.810 0.000 -3.515) 9.485 19.694 ( -2.513 0.000 4.438) 5.100 20.289 ( -11.312 0.000 8.313) 14.038 20.557 ( 3.720 0.000 -13.129) 13.646 21.597 ( -0.938 0.000 0.248) 0.970 21.597 ( -0.541 0.000 -0.270) 0.605 ======================= Grid point 3 (4/110) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 12.613 0.000 1.831) 12.745 0.856 ( 13.822 0.000 -4.209) 14.449 1.037 ( 0.697 0.000 -10.707) 10.730 1.074 ( 3.620 0.000 5.530) 6.610 1.111 ( 10.447 0.000 -0.083) 10.447 1.232 ( 10.679 0.000 5.151) 11.857 1.339 ( 2.393 0.000 -2.555) 3.501 1.352 ( -0.502 0.000 2.181) 2.238 1.453 ( 9.739 0.000 2.685) 10.102 1.528 ( -3.844 0.000 -2.820) 4.767 1.577 ( 1.624 0.000 1.293) 2.076 1.653 ( -0.058 0.000 3.234) 3.234 1.782 ( 3.306 0.000 -0.696) 3.379 1.819 ( -3.512 0.000 -2.224) 4.157 1.871 ( 0.687 0.000 -5.252) 5.297 1.952 ( -4.459 0.000 -2.337) 5.035 2.023 ( -0.434 0.000 4.560) 4.580 2.076 ( 2.814 0.000 1.113) 3.026 2.079 ( -3.453 0.000 -3.494) 4.913 2.104 ( -2.441 0.000 -0.801) 2.569 2.245 ( 0.528 0.000 3.290) 3.332 2.289 ( -0.517 0.000 3.344) 3.383 2.331 ( -0.726 0.000 -2.107) 2.229 2.550 ( -6.296 0.000 1.002) 6.376 3.457 ( -0.848 0.000 0.457) 0.963 3.463 ( -0.378 0.000 -0.387) 0.541 3.672 ( 0.388 0.000 -0.158) 0.419 3.684 ( -0.128 0.000 0.089) 0.156 4.773 ( 0.041 0.000 -0.553) 0.555 4.777 ( -0.337 0.000 0.580) 0.671 5.204 ( -0.312 0.000 -0.304) 0.436 5.233 ( -0.734 0.000 0.206) 0.763 6.699 ( -0.269 0.000 -0.815) 0.858 6.710 ( 0.710 0.000 0.783) 1.057 6.931 ( 0.154 0.000 0.600) 0.619 6.934 ( 0.032 0.000 -0.713) 0.714 7.117 ( -1.060 0.000 0.033) 1.061 7.139 ( -0.723 0.000 -0.058) 0.725 7.669 ( -0.201 0.000 0.029) 0.204 7.677 ( -0.017 0.000 0.353) 0.354 8.104 ( -0.631 0.000 -0.013) 0.631 8.108 ( -0.768 0.000 0.056) 0.770 8.446 ( 1.101 0.000 0.160) 1.113 8.468 ( 1.044 0.000 -0.081) 1.047 8.864 ( 1.400 0.000 -0.340) 1.441 8.989 ( -0.596 0.000 -0.583) 0.833 9.595 ( -0.461 0.000 0.211) 0.507 9.611 ( -0.380 0.000 -0.834) 0.917 10.040 ( -0.784 0.000 -1.243) 1.469 10.479 ( -3.803 0.000 3.247) 5.001 10.818 ( -1.204 0.000 -0.593) 1.342 10.831 ( -0.188 0.000 -0.266) 0.326 10.839 ( -0.639 0.000 0.120) 0.650 10.890 ( -0.224 0.000 2.353) 2.363 10.904 ( -0.221 0.000 -1.502) 1.518 10.991 ( -0.386 0.000 -0.270) 0.471 12.401 ( -1.536 0.000 -1.403) 2.080 12.448 ( -1.006 0.000 1.058) 1.460 13.027 ( -0.483 0.000 0.733) 0.878 13.027 ( -0.442 0.000 -0.474) 0.648 14.347 ( 1.780 0.000 0.764) 1.937 14.433 ( 0.825 0.000 -0.595) 1.017 14.880 ( -0.046 0.000 0.649) 0.651 15.076 ( -0.332 0.000 -0.612) 0.696 15.772 ( 6.232 0.000 -0.243) 6.237 16.176 ( 10.825 0.000 1.247) 10.896 16.288 ( 2.064 0.000 0.126) 2.068 16.548 ( 1.061 0.000 -1.488) 1.828 17.064 ( -1.830 0.000 -0.694) 1.957 17.104 ( -1.397 0.000 1.440) 2.007 17.260 ( -3.788 0.000 1.682) 4.144 17.388 ( 0.253 0.000 -0.790) 0.830 17.730 ( -2.788 0.000 4.838) 5.583 17.862 ( -11.666 0.000 -3.459) 12.168 18.042 ( -0.072 0.000 -0.029) 0.078 18.163 ( -2.427 0.000 -1.552) 2.881 18.812 ( -1.788 0.000 0.678) 1.913 18.823 ( -1.552 0.000 -0.494) 1.629 19.655 ( -2.189 0.000 2.039) 2.992 19.689 ( 1.324 0.000 -4.890) 5.066 20.177 ( -1.841 0.000 8.397) 8.596 20.600 ( 2.971 0.000 -6.325) 6.988 21.579 ( -0.903 0.000 0.217) 0.928 21.585 ( -0.659 0.000 -0.286) 0.718 ======================= Grid point 4 (5/110) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 9.508 0.000 1.812) 9.679 1.039 ( 1.951 0.000 -8.022) 8.256 1.084 ( 10.584 0.000 -5.009) 11.709 1.150 ( 3.372 0.000 1.657) 3.757 1.228 ( 1.215 0.000 1.231) 1.730 1.306 ( -2.969 0.000 0.694) 3.049 1.357 ( -0.366 0.000 1.506) 1.550 1.377 ( 3.610 0.000 0.191) 3.615 1.462 ( -1.585 0.000 0.598) 1.694 1.632 ( 4.967 0.000 -3.717) 6.204 1.645 ( -1.288 0.000 3.334) 3.574 1.678 ( 6.826 0.000 6.585) 9.485 1.763 ( -1.753 0.000 -0.335) 1.784 1.792 ( -0.319 0.000 -2.209) 2.232 1.887 ( 1.759 0.000 -4.274) 4.621 1.912 ( -0.284 0.000 3.779) 3.790 1.993 ( -2.176 0.000 -2.038) 2.982 2.045 ( -2.494 0.000 -1.489) 2.905 2.062 ( 1.998 0.000 2.943) 3.557 2.103 ( -0.258 0.000 0.806) 0.846 2.248 ( 0.173 0.000 2.014) 2.021 2.303 ( -1.432 0.000 -1.718) 2.236 2.324 ( 1.808 0.000 1.607) 2.419 2.414 ( -7.365 0.000 -2.254) 7.702 3.443 ( -0.622 0.000 0.247) 0.669 3.454 ( -0.401 0.000 -0.196) 0.446 3.679 ( 0.322 0.000 -0.094) 0.336 3.683 ( -0.033 0.000 0.043) 0.054 4.773 ( 0.016 0.000 -0.374) 0.374 4.773 ( -0.177 0.000 0.378) 0.418 5.198 ( -0.224 0.000 -0.184) 0.290 5.221 ( -0.471 0.000 0.138) 0.491 6.694 ( -0.102 0.000 -0.510) 0.520 6.723 ( 0.472 0.000 0.471) 0.667 6.933 ( 0.008 0.000 -0.442) 0.442 6.936 ( 0.190 0.000 0.439) 0.478 7.100 ( -0.664 0.000 -0.047) 0.665 7.127 ( -0.449 0.000 -0.026) 0.450 7.669 ( 0.084 0.000 -0.020) 0.086 7.677 ( -0.022 0.000 0.211) 0.212 8.094 ( -0.396 0.000 -0.008) 0.396 8.096 ( -0.465 0.000 0.043) 0.467 8.465 ( 0.706 0.000 0.098) 0.713 8.485 ( 0.631 0.000 -0.063) 0.634 8.883 ( 0.630 0.000 -0.130) 0.644 8.978 ( -0.393 0.000 -0.261) 0.472 9.588 ( -0.250 0.000 0.139) 0.286 9.603 ( -0.231 0.000 -0.470) 0.523 10.024 ( -0.529 0.000 -0.558) 0.769 10.422 ( -2.498 0.000 1.700) 3.021 10.799 ( -0.589 0.000 -0.422) 0.725 10.828 ( -0.233 0.000 -0.005) 0.233 10.828 ( -0.272 0.000 0.019) 0.273 10.890 ( -0.313 0.000 1.619) 1.649 10.899 ( 0.072 0.000 -1.306) 1.308 10.983 ( -0.355 0.000 -0.078) 0.363 12.376 ( -0.784 0.000 -0.859) 1.163 12.434 ( -0.632 0.000 0.629) 0.892 13.020 ( -0.235 0.000 -0.168) 0.289 13.021 ( -0.258 0.000 0.232) 0.347 14.377 ( 1.086 0.000 0.449) 1.175 14.445 ( 0.538 0.000 -0.380) 0.659 14.880 ( -0.080 0.000 0.409) 0.416 15.068 ( -0.300 0.000 -0.393) 0.494 15.876 ( 4.233 0.000 -0.072) 4.234 16.321 ( 1.529 0.000 -1.720) 2.302 16.357 ( 6.656 0.000 2.819) 7.229 16.561 ( 0.597 0.000 -0.833) 1.024 17.059 ( 1.435 0.000 -0.242) 1.455 17.085 ( -0.802 0.000 0.946) 1.240 17.197 ( -2.751 0.000 0.588) 2.813 17.387 ( -0.193 0.000 0.078) 0.208 17.619 ( -11.242 0.000 -3.236) 11.698 17.694 ( -1.709 0.000 2.302) 2.867 18.041 ( -0.025 0.000 -0.043) 0.050 18.134 ( -0.705 0.000 -0.371) 0.797 18.788 ( -0.851 0.000 0.326) 0.911 18.799 ( -0.821 0.000 -0.298) 0.873 19.624 ( -1.283 0.000 0.798) 1.511 19.663 ( -1.735 0.000 -2.144) 2.758 20.211 ( 2.180 0.000 3.890) 4.459 20.636 ( 1.728 0.000 -2.617) 3.136 21.565 ( -0.544 0.000 0.133) 0.560 21.573 ( -0.471 0.000 -0.185) 0.506 ======================= Grid point 5 (6/110) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 0.000 0.000) 0.000 1.082 ( 0.000 0.000 -0.000) 0.000 1.216 ( 2.831 0.000 -3.532) 4.527 1.216 ( -2.831 0.000 3.531) 4.526 1.218 ( -0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 -0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 -0.000) 0.000 1.464 ( 0.000 0.000 -0.000) 0.000 1.633 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 -0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.858 ( -0.000 0.000 -0.000) 0.000 1.896 ( 0.000 0.000 -0.000) 0.000 2.021 ( 0.000 0.000 -0.000) 0.000 2.024 ( 0.000 0.000 -0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.300 ( -0.000 0.000 -0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 -0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 -0.000) 0.000 4.772 ( 0.000 0.000 -0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 -0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 -0.000) 0.000 6.933 ( 0.000 0.000 -0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 -0.000) 0.000 7.677 ( 0.000 0.000 -0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 -0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 -0.000) 0.000 8.974 ( 0.000 0.000 -0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 -0.000) 0.000 10.018 ( 0.000 0.000 -0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.793 ( 0.000 0.000 -0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.827 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 -0.000) 0.000 10.899 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 0.000 -0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.450 ( 0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 15.065 ( 0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 -0.000) 0.000 16.333 ( 0.000 0.000 -0.000) 0.000 16.427 ( 0.000 0.000 0.000) 0.000 16.566 ( 0.000 0.000 -0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.088 ( 0.000 0.000 0.000) 0.000 17.169 ( 0.000 0.000 -0.000) 0.000 17.384 ( 0.000 0.000 0.000) 0.000 17.488 ( 0.000 0.000 0.000) 0.000 17.680 ( 0.000 0.000 0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 18.128 ( 0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 0.000) 0.000 18.791 ( 0.000 0.000 0.000) 0.000 19.612 ( 0.000 0.000 0.000) 0.000 19.642 ( 0.000 0.000 0.000) 0.000 20.240 ( 0.000 0.000 -0.000) 0.000 20.650 ( 0.000 0.000 -0.000) 0.000 21.560 ( 0.000 0.000 -0.000) 0.000 21.568 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/110) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( 0.000 11.373 0.000) 11.373 0.364 ( 0.000 18.675 0.000) 18.675 0.443 ( 0.000 22.002 0.000) 22.002 0.521 ( 0.000 6.061 0.000) 6.061 0.960 ( 0.000 3.160 0.000) 3.160 1.124 ( 0.000 5.771 0.000) 5.771 1.197 ( 0.000 7.264 0.000) 7.264 1.264 ( 0.000 -2.105 0.000) 2.105 1.413 ( 0.000 -0.347 0.000) 0.347 1.528 ( 0.000 -3.094 0.000) 3.094 1.528 ( 0.000 -2.374 0.000) 2.374 1.623 ( 0.000 -1.522 0.000) 1.522 1.698 ( 0.000 0.748 0.000) 0.748 1.777 ( 0.000 1.786 0.000) 1.786 1.782 ( 0.000 -3.792 0.000) 3.792 1.923 ( 0.000 -4.683 0.000) 4.683 2.014 ( 0.000 -1.429 0.000) 1.429 2.069 ( 0.000 -4.549 0.000) 4.549 2.103 ( 0.000 -0.640 0.000) 0.640 2.137 ( 0.000 2.177 0.000) 2.177 2.277 ( 0.000 -0.512 0.000) 0.512 2.330 ( 0.000 -0.371 0.000) 0.371 2.460 ( 0.000 1.257 0.000) 1.257 2.905 ( 0.000 -2.959 0.000) 2.959 3.476 ( 0.000 1.238 0.000) 1.238 3.488 ( 0.000 1.003 0.000) 1.003 3.673 ( 0.000 0.535 0.000) 0.535 3.695 ( 0.000 0.918 0.000) 0.918 4.791 ( 0.000 0.621 0.000) 0.621 4.794 ( 0.000 0.383 0.000) 0.383 5.215 ( 0.000 -0.083 0.000) 0.083 5.258 ( 0.000 -0.417 0.000) 0.417 6.690 ( 0.000 1.091 0.000) 1.091 6.729 ( 0.000 0.277 0.000) 0.277 6.923 ( 0.000 -0.485 0.000) 0.485 6.937 ( 0.000 0.175 0.000) 0.175 7.163 ( 0.000 -0.272 0.000) 0.272 7.170 ( 0.000 -0.071 0.000) 0.071 7.677 ( 0.000 0.257 0.000) 0.257 7.704 ( 0.000 -0.628 0.000) 0.628 8.131 ( 0.000 0.086 0.000) 0.086 8.139 ( 0.000 -0.123 0.000) 0.123 8.395 ( 0.000 -0.649 0.000) 0.649 8.415 ( 0.000 -0.700 0.000) 0.700 8.804 ( 0.000 1.157 0.000) 1.157 8.818 ( 0.000 0.817 0.000) 0.817 9.622 ( 0.000 0.570 0.000) 0.570 9.631 ( 0.000 0.702 0.000) 0.702 10.087 ( 0.000 1.385 0.000) 1.385 10.756 ( 0.000 -6.567 0.000) 6.567 10.833 ( 0.000 -0.716 0.000) 0.716 10.883 ( 0.000 -0.593 0.000) 0.593 10.887 ( 0.000 0.747 0.000) 0.747 10.898 ( 0.000 1.475 0.000) 1.475 10.990 ( 0.000 -1.182 0.000) 1.182 11.034 ( 0.000 -0.987 0.000) 0.987 12.490 ( 0.000 0.649 0.000) 0.649 12.500 ( 0.000 0.356 0.000) 0.356 13.007 ( 0.000 2.225 0.000) 2.225 13.194 ( 0.000 -0.713 0.000) 0.713 14.280 ( 0.000 1.589 0.000) 1.589 14.417 ( 0.000 1.314 0.000) 1.314 14.916 ( 0.000 4.027 0.000) 4.027 15.091 ( 0.000 1.119 0.000) 1.119 15.555 ( 0.000 2.178 0.000) 2.178 15.722 ( 0.000 -0.273 0.000) 0.273 16.237 ( 0.000 0.053 0.000) 0.053 16.362 ( 0.000 -0.196 0.000) 0.196 17.086 ( 0.000 -8.844 0.000) 8.844 17.131 ( 0.000 -2.394 0.000) 2.394 17.347 ( 0.000 0.515 0.000) 0.515 17.618 ( 0.000 13.213 0.000) 13.213 18.041 ( 0.000 -0.580 0.000) 0.580 18.086 ( 0.000 0.245 0.000) 0.245 18.225 ( 0.000 -0.930 0.000) 0.930 18.324 ( 0.000 -7.493 0.000) 7.493 18.930 ( 0.000 2.274 0.000) 2.274 18.945 ( 0.000 -0.183 0.000) 0.183 19.431 ( 0.000 5.914 0.000) 5.914 19.792 ( 0.000 0.486 0.000) 0.486 20.046 ( 0.000 -1.314 0.000) 1.314 20.594 ( 0.000 -11.061 0.000) 11.061 21.619 ( 0.000 0.171 0.000) 0.171 21.620 ( 0.000 0.916 0.000) 0.916 ======================= Grid point 12 (8/110) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 4.790 8.806 8.579) 13.194 0.387 ( 8.752 9.615 10.163) 16.502 0.613 ( 9.996 3.087 -3.256) 10.957 0.683 ( 16.434 15.508 -1.167) 22.627 0.986 ( 1.985 3.972 5.337) 6.943 1.123 ( -0.734 3.947 1.513) 4.290 1.211 ( 2.644 6.164 -7.262) 9.886 1.272 ( 1.063 -1.634 -0.308) 1.973 1.397 ( -1.026 0.536 -0.463) 1.247 1.529 ( 0.716 -3.716 1.978) 4.270 1.564 ( 2.567 -2.410 -3.479) 4.950 1.618 ( 0.225 -0.915 -1.071) 1.427 1.712 ( 0.309 2.743 -3.943) 4.813 1.816 ( 4.313 -1.676 -1.671) 4.919 1.873 ( -1.187 -5.906 -1.837) 6.298 1.938 ( 6.777 -6.697 -2.955) 9.975 2.003 ( -0.965 0.119 3.619) 3.748 2.085 ( -1.556 -0.281 -0.141) 1.588 2.110 ( 2.557 -4.267 3.186) 5.907 2.147 ( 0.882 0.578 0.778) 1.310 2.226 ( -3.052 0.092 -6.817) 7.469 2.352 ( 0.342 -0.473 2.569) 2.634 2.427 ( -3.303 1.076 3.079) 4.642 2.754 ( -10.694 1.179 4.108) 11.516 3.471 ( -0.384 0.677 -0.152) 0.793 3.495 ( 0.323 1.401 0.084) 1.441 3.671 ( -0.141 0.470 -0.057) 0.494 3.700 ( 0.240 0.933 0.264) 0.999 4.779 ( -0.405 0.690 -0.051) 0.802 4.796 ( -0.220 0.571 -0.001) 0.612 5.213 ( -0.172 -0.129 -0.121) 0.247 5.254 ( -0.402 -0.386 0.127) 0.571 6.690 ( -0.064 0.674 0.292) 0.738 6.727 ( -0.193 0.618 -0.173) 0.671 6.924 ( 0.022 -0.397 0.123) 0.417 6.937 ( 0.036 0.124 -0.394) 0.414 7.152 ( -0.865 -0.266 0.160) 0.919 7.167 ( -0.365 0.037 -0.063) 0.372 7.675 ( -0.092 0.092 0.059) 0.142 7.695 ( -0.798 -0.335 0.109) 0.873 8.127 ( -0.371 0.077 -0.025) 0.379 8.135 ( -0.410 -0.076 -0.045) 0.419 8.399 ( 0.405 -0.816 0.113) 0.917 8.424 ( 0.894 -0.549 -0.045) 1.050 8.807 ( 1.468 1.272 -0.347) 1.973 8.923 ( 5.274 -3.876 -0.224) 6.548 9.618 ( -0.393 0.548 0.177) 0.697 9.631 ( -0.081 0.507 -0.529) 0.737 10.082 ( -0.351 1.294 -1.117) 1.745 10.657 ( -7.453 -0.972 -2.332) 7.869 10.824 ( -0.506 -1.114 0.794) 1.459 10.860 ( -1.363 -0.033 0.178) 1.375 10.889 ( 0.250 -0.181 -0.568) 0.647 10.908 ( -0.051 1.957 0.080) 1.960 10.956 ( -3.712 2.860 3.366) 5.769 10.989 ( 0.043 -1.053 -0.689) 1.259 12.464 ( -1.742 -0.367 -0.262) 1.800 12.499 ( -0.574 1.181 0.176) 1.325 13.014 ( 0.328 1.056 1.049) 1.524 13.142 ( -3.261 2.854 0.639) 4.380 14.292 ( 1.137 1.498 0.469) 1.938 14.421 ( 0.327 1.216 -0.000) 1.259 14.914 ( -0.146 3.755 0.391) 3.778 15.101 ( 0.480 1.498 0.836) 1.782 15.578 ( 2.708 1.629 0.437) 3.190 15.783 ( 5.910 -0.661 0.227) 5.951 16.231 ( 0.744 1.298 -0.606) 1.614 16.444 ( 4.622 -3.636 0.015) 5.880 17.105 ( 0.920 -8.053 0.073) 8.105 17.121 ( -0.933 -4.266 -1.372) 4.578 17.322 ( -2.037 1.542 -0.104) 2.557 17.498 ( -6.946 13.057 3.278) 15.149 18.029 ( -2.386 0.130 1.277) 2.709 18.055 ( -1.790 1.673 1.902) 3.101 18.162 ( -5.305 11.871 8.714) 15.652 18.291 ( -2.867 -6.812 -5.488) 9.205 18.911 ( -1.777 1.953 -0.407) 2.672 18.940 ( -2.383 1.594 -0.315) 2.884 19.409 ( 4.639 1.889 -0.092) 5.010 19.759 ( -2.483 2.396 6.610) 7.457 20.246 ( 9.577 -13.092 -8.048) 18.108 20.480 ( -8.104 -8.565 -5.721) 13.105 21.613 ( -0.380 0.547 -0.213) 0.699 21.621 ( -0.312 0.687 -0.140) 0.767 ======================= Grid point 13 (9/110) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 9.963 1.015 3.172) 10.504 0.643 ( 14.070 4.184 6.742) 16.153 0.819 ( 11.936 -3.185 -6.295) 13.865 1.007 ( 13.773 7.709 2.435) 15.971 1.058 ( 3.939 4.828 5.918) 8.594 1.097 ( 0.150 4.993 0.370) 5.009 1.266 ( 4.070 1.084 -5.613) 7.018 1.305 ( 2.334 -1.303 -0.190) 2.680 1.395 ( 1.114 2.616 -0.590) 2.904 1.515 ( -2.435 -5.232 0.108) 5.772 1.581 ( -0.805 -2.675 -4.486) 5.285 1.661 ( 3.739 1.131 1.569) 4.209 1.696 ( 0.025 -1.091 -2.444) 2.677 1.852 ( 0.965 -1.240 -1.467) 2.150 1.875 ( 0.312 -1.542 -4.110) 4.401 1.990 ( 1.427 -2.983 0.933) 3.435 2.021 ( -0.405 0.053 2.275) 2.311 2.066 ( 0.414 0.916 -0.219) 1.029 2.137 ( -2.123 2.457 -2.263) 3.958 2.147 ( -1.006 -1.149 -0.413) 1.582 2.183 ( 1.713 -3.176 0.569) 3.653 2.324 ( -3.395 -0.318 1.109) 3.585 2.377 ( -2.206 1.475 2.175) 3.432 2.594 ( -7.165 -4.117 3.662) 9.039 3.462 ( -0.450 0.270 -0.014) 0.525 3.496 ( -0.293 1.617 0.049) 1.644 3.670 ( 0.172 0.489 -0.107) 0.530 3.702 ( 0.021 1.288 0.082) 1.290 4.775 ( -0.008 0.329 -0.299) 0.445 4.789 ( -0.483 0.501 0.344) 0.777 5.208 ( -0.292 -0.213 -0.230) 0.428 5.243 ( -0.710 -0.352 0.179) 0.813 6.690 ( -0.026 -0.085 0.165) 0.187 6.724 ( -0.083 1.070 -0.127) 1.081 6.925 ( 0.083 -0.240 0.336) 0.421 6.936 ( 0.032 0.049 -0.567) 0.570 7.134 ( -1.010 -0.304 0.091) 1.058 7.156 ( -0.785 0.076 0.004) 0.789 7.674 ( -0.052 -0.098 -0.018) 0.112 7.680 ( -0.622 0.103 0.363) 0.727 8.117 ( -0.622 0.053 -0.012) 0.624 8.124 ( -0.701 0.039 -0.009) 0.702 8.412 ( 0.888 -1.053 0.128) 1.384 8.445 ( 1.179 -0.402 -0.038) 1.246 8.842 ( 2.000 1.047 -0.457) 2.303 8.980 ( 1.316 -1.799 -0.458) 2.275 9.610 ( -0.490 0.530 0.222) 0.755 9.625 ( -0.332 0.483 -0.702) 0.915 10.069 ( -0.736 1.241 -1.054) 1.787 10.534 ( -5.253 -1.533 0.941) 5.552 10.818 ( -0.355 -1.507 0.443) 1.610 10.836 ( -1.236 -0.234 0.168) 1.269 10.890 ( -0.234 0.450 -0.133) 0.524 10.897 ( -0.718 2.442 0.280) 2.561 10.919 ( -1.291 0.816 1.410) 2.079 10.988 ( -0.007 -0.861 -0.609) 1.055 12.429 ( -1.676 -0.600 -0.917) 2.003 12.482 ( -1.192 1.313 0.631) 1.883 13.020 ( 0.120 0.596 0.425) 0.742 13.093 ( -2.056 2.840 0.245) 3.514 14.321 ( 1.682 1.221 0.655) 2.179 14.429 ( 0.542 0.968 -0.293) 1.147 14.914 ( -0.025 3.431 0.426) 3.458 15.107 ( 0.005 2.173 0.248) 2.187 15.659 ( 5.361 0.778 0.198) 5.420 15.936 ( 9.486 -2.207 0.431) 9.749 16.259 ( 2.046 1.123 -0.483) 2.384 16.510 ( 2.632 -1.761 -0.322) 3.183 17.084 ( -2.121 -3.507 -3.139) 5.162 17.106 ( -0.820 -4.251 1.113) 4.470 17.294 ( -1.341 -1.067 2.657) 3.162 17.421 ( -2.295 8.548 1.098) 8.919 17.940 ( -7.099 4.312 6.250) 10.394 18.036 ( -2.643 2.285 0.945) 3.619 18.073 ( -4.407 5.860 -2.917) 7.891 18.204 ( -4.001 -4.352 -2.922) 6.594 18.866 ( -2.605 1.391 0.091) 2.954 18.880 ( -2.953 1.804 -0.151) 3.464 19.556 ( 7.997 -2.314 -1.565) 8.470 19.726 ( -1.982 2.257 2.617) 3.984 20.227 ( -8.536 -5.770 8.029) 13.062 20.432 ( 4.921 -10.886 -11.618) 16.664 21.603 ( -0.624 0.549 -0.201) 0.855 21.607 ( -0.992 0.778 -0.003) 1.261 ======================= Grid point 14 (10/110) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 10.982 -3.663 1.003) 11.620 0.929 ( 13.785 3.876 2.872) 14.605 1.013 ( 8.477 -5.348 -7.728) 12.656 1.031 ( -0.713 -0.121 -2.746) 2.839 1.144 ( 3.872 1.685 2.848) 5.094 1.274 ( 5.934 3.205 0.312) 6.751 1.327 ( 2.754 -0.111 -0.804) 2.871 1.346 ( 0.318 -0.021 -0.255) 0.408 1.459 ( 6.907 1.422 2.993) 7.661 1.484 ( 1.135 -5.596 0.428) 5.726 1.536 ( -1.794 -0.751 0.287) 1.966 1.684 ( -0.723 -2.969 -1.072) 3.238 1.745 ( 2.965 0.411 0.937) 3.136 1.843 ( -1.280 0.118 -1.044) 1.656 1.894 ( 2.679 3.578 -1.570) 4.737 1.958 ( -3.275 0.019 -0.155) 3.279 2.033 ( -0.414 -0.678 -1.357) 1.573 2.057 ( -2.396 1.260 -0.692) 2.794 2.090 ( 0.831 1.036 -0.942) 1.628 2.139 ( -1.832 1.028 0.727) 2.223 2.209 ( 0.406 -2.543 1.864) 3.179 2.285 ( 0.073 -0.187 2.489) 2.497 2.341 ( -1.830 0.642 -0.537) 2.012 2.476 ( -6.104 -6.901 0.579) 9.231 3.454 ( -0.448 0.246 0.100) 0.520 3.484 ( -0.847 1.442 -0.033) 1.673 3.677 ( 0.477 0.656 -0.092) 0.816 3.702 ( -0.086 1.453 0.008) 1.456 4.775 ( 0.011 0.192 -0.445) 0.484 4.781 ( -0.397 0.365 0.475) 0.719 5.201 ( -0.314 -0.247 -0.234) 0.463 5.229 ( -0.762 -0.372 0.185) 0.868 6.690 ( 0.109 -0.370 -0.290) 0.482 6.724 ( 0.053 0.853 0.271) 0.897 6.928 ( 0.193 -0.167 0.387) 0.463 6.935 ( -0.023 -0.012 -0.502) 0.502 7.115 ( -0.939 -0.166 0.001) 0.954 7.140 ( -0.788 0.031 -0.017) 0.789 7.671 ( -0.112 0.127 -0.129) 0.213 7.677 ( -0.024 0.064 0.416) 0.421 8.104 ( -0.636 0.045 0.009) 0.638 8.110 ( -0.714 0.143 0.006) 0.728 8.432 ( 1.132 -1.161 0.107) 1.625 8.466 ( 0.897 -0.468 -0.037) 1.012 8.875 ( 1.508 1.099 -0.266) 1.885 8.989 ( -0.034 -0.171 -0.370) 0.409 9.601 ( -0.423 0.595 0.220) 0.762 9.616 ( -0.352 0.538 -0.644) 0.909 10.051 ( -0.836 1.232 -0.714) 1.651 10.449 ( -4.024 -2.720 1.640) 5.126 10.808 ( -0.743 -0.871 -0.288) 1.181 10.819 ( -0.510 -0.698 0.525) 1.012 10.874 ( -0.921 2.582 0.444) 2.777 10.894 ( -0.036 0.250 0.364) 0.443 10.903 ( -0.649 0.102 -0.237) 0.699 10.984 ( -0.277 -0.671 -0.285) 0.780 12.399 ( -1.091 -0.079 -1.178) 1.608 12.460 ( -1.279 1.033 0.824) 1.839 13.022 ( 0.073 0.673 0.095) 0.683 13.060 ( -1.390 2.049 0.096) 2.478 14.355 ( 1.551 0.798 0.557) 1.831 14.440 ( 0.586 0.617 -0.345) 0.918 14.915 ( 0.037 3.400 0.422) 3.426 15.104 ( -0.331 2.516 -0.148) 2.542 15.772 ( 5.990 0.239 0.100) 5.996 16.127 ( 9.631 -4.361 0.491) 10.584 16.299 ( 2.021 1.029 -0.006) 2.268 16.553 ( 1.957 0.057 -0.411) 2.000 17.041 ( -1.234 -2.057 -2.697) 3.610 17.090 ( -1.042 -1.807 1.813) 2.764 17.263 ( -2.615 -0.569 2.079) 3.388 17.405 ( 0.258 4.582 -0.088) 4.590 17.794 ( -9.716 -1.163 3.264) 10.315 17.879 ( -9.259 6.020 -3.435) 11.566 18.047 ( -0.158 0.515 -0.372) 0.655 18.150 ( -1.518 -0.926 -0.096) 1.781 18.821 ( -1.996 0.965 0.570) 2.289 18.832 ( -1.977 0.842 -0.547) 2.217 19.638 ( 0.580 -1.112 -0.382) 1.311 19.702 ( -1.023 1.001 -1.688) 2.213 20.143 ( -1.080 -3.321 7.277) 8.072 20.502 ( 4.042 -9.148 -5.715) 11.519 21.586 ( -1.031 0.590 0.030) 1.188 21.590 ( -0.763 0.453 -0.153) 0.900 ======================= Grid point 15 (11/110) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 9.395 -5.773 0.830) 11.058 1.007 ( 0.543 -2.832 -5.935) 6.599 1.111 ( 1.858 -3.094 -1.363) 3.858 1.134 ( 3.679 -2.225 -1.226) 4.471 1.226 ( 5.490 1.989 1.051) 5.933 1.290 ( -1.931 -2.775 -0.256) 3.390 1.333 ( 1.632 -0.061 -1.063) 1.949 1.397 ( 3.681 1.335 1.224) 4.102 1.490 ( -0.916 1.073 3.087) 3.394 1.536 ( 3.375 -4.960 -2.793) 6.617 1.633 ( 2.652 -2.641 3.313) 4.999 1.690 ( 3.547 -1.787 2.505) 4.695 1.754 ( -1.359 1.035 -0.327) 1.739 1.798 ( -4.669 2.537 -0.772) 5.370 1.916 ( 1.295 2.322 1.835) 3.231 1.960 ( 2.597 1.858 -0.617) 3.252 1.990 ( -1.841 1.352 -3.095) 3.846 2.053 ( 1.618 -0.377 2.610) 3.094 2.079 ( -1.232 0.462 -1.540) 2.025 2.117 ( -0.613 2.368 1.112) 2.687 2.211 ( -0.267 -2.757 0.687) 2.854 2.301 ( -1.477 -0.746 -0.234) 1.671 2.321 ( 1.242 -0.272 0.953) 1.589 2.355 ( -5.917 -5.461 -2.109) 8.324 3.447 ( -0.230 0.515 0.124) 0.578 3.467 ( -0.797 1.094 -0.081) 1.356 3.686 ( 0.458 0.842 -0.046) 0.960 3.699 ( -0.142 1.414 -0.001) 1.421 4.774 ( -0.001 0.139 -0.355) 0.381 4.776 ( -0.184 0.322 0.359) 0.516 5.196 ( -0.194 -0.209 -0.148) 0.321 5.217 ( -0.508 -0.431 0.125) 0.678 6.692 ( 0.128 -0.146 -0.393) 0.438 6.726 ( 0.063 0.178 0.370) 0.416 6.932 ( 0.068 -0.111 -0.258) 0.289 6.935 ( 0.080 -0.147 0.242) 0.294 7.099 ( -0.586 -0.001 -0.045) 0.588 7.127 ( -0.468 0.001 -0.016) 0.468 7.671 ( 0.088 0.178 -0.068) 0.210 7.678 ( -0.002 0.083 0.218) 0.233 8.095 ( -0.362 0.073 0.022) 0.369 8.098 ( -0.474 0.179 -0.002) 0.507 8.453 ( 0.918 -1.053 0.074) 1.399 8.477 ( 0.327 -0.758 -0.043) 0.826 8.897 ( 0.783 1.316 -0.092) 1.534 8.984 ( -0.267 0.433 -0.201) 0.547 9.595 ( -0.226 0.657 0.142) 0.709 9.609 ( -0.215 0.595 -0.378) 0.737 10.036 ( -0.554 1.221 -0.363) 1.389 10.389 ( -2.393 -2.898 1.020) 3.895 10.795 ( -0.455 -0.328 -0.222) 0.603 10.813 ( -0.229 -0.907 0.288) 0.979 10.862 ( -0.469 2.400 0.214) 2.455 10.891 ( -0.420 0.185 0.802) 0.924 10.896 ( 0.050 -0.298 -0.858) 0.909 10.978 ( -0.295 -0.525 -0.091) 0.609 12.383 ( -0.424 0.625 -0.847) 1.135 12.440 ( -0.874 0.605 0.624) 1.233 13.024 ( 0.128 0.827 -0.000) 0.837 13.040 ( -0.814 1.413 0.053) 1.632 14.380 ( 0.921 0.383 0.309) 1.044 14.448 ( 0.375 0.314 -0.212) 0.533 14.917 ( 0.051 3.573 0.279) 3.584 15.096 ( -0.327 2.632 -0.199) 2.660 15.873 ( 4.073 -0.147 0.081) 4.077 16.283 ( 6.079 -6.197 -0.719) 8.710 16.332 ( 1.096 0.956 1.227) 1.902 16.583 ( 1.215 1.224 -0.359) 1.762 17.038 ( 1.455 -1.635 -1.166) 2.480 17.078 ( -0.507 -0.802 1.357) 1.656 17.214 ( -2.374 1.170 0.675) 2.731 17.419 ( 0.820 3.453 0.360) 3.567 17.587 ( -10.153 -3.042 -2.290) 10.844 17.740 ( -5.075 3.726 0.977) 6.371 18.045 ( -0.036 0.409 -0.122) 0.429 18.132 ( -0.555 -0.205 0.080) 0.597 18.794 ( -0.974 0.608 0.329) 1.195 18.802 ( -1.002 0.336 -0.339) 1.110 19.626 ( -0.874 0.268 0.368) 0.986 19.665 ( -1.872 0.282 -1.432) 2.374 20.184 ( 2.422 -2.648 3.447) 4.976 20.554 ( 2.230 -7.861 -2.412) 8.519 21.570 ( -0.605 0.390 0.052) 0.722 21.576 ( -0.586 0.286 -0.116) 0.662 ======================= Grid point 16 (12/110) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 -5.256 0.000) 5.256 1.006 ( -0.000 -5.378 -0.000) 5.378 1.092 ( 0.000 -4.064 0.000) 4.064 1.136 ( 0.000 -5.705 -0.000) 5.705 1.267 ( 0.000 -1.066 -0.000) 1.066 1.315 ( 0.000 0.882 -0.000) 0.882 1.340 ( -0.000 1.142 0.000) 1.142 1.453 ( -0.000 3.366 0.000) 3.366 1.487 ( 0.000 0.286 -0.000) 0.286 1.603 ( 0.000 -1.829 0.000) 1.829 1.623 ( 0.000 -0.414 -0.000) 0.414 1.702 ( 0.000 -4.737 -0.000) 4.737 1.729 ( 0.000 -0.121 0.000) 0.121 1.773 ( -0.000 -1.067 -0.000) 1.067 1.914 ( 0.000 2.812 0.000) 2.812 1.967 ( 0.000 3.062 -0.000) 3.062 2.021 ( 0.000 0.002 -0.000) 0.002 2.084 ( -0.000 3.980 0.000) 3.980 2.085 ( 0.000 -0.164 0.000) 0.164 2.096 ( 0.000 0.940 -0.000) 0.940 2.209 ( 0.000 -3.806 -0.000) 3.806 2.253 ( -0.000 -4.350 -0.000) 4.350 2.296 ( 0.000 -0.606 0.000) 0.606 2.341 ( 0.000 -0.391 0.000) 0.391 3.446 ( 0.000 0.799 -0.000) 0.799 3.458 ( 0.000 0.803 -0.000) 0.803 3.691 ( 0.000 0.927 -0.000) 0.927 3.697 ( 0.000 1.358 0.000) 1.358 4.773 ( 0.000 0.124 -0.000) 0.124 4.775 ( 0.000 0.316 0.000) 0.316 5.194 ( 0.000 -0.168 -0.000) 0.168 5.212 ( 0.000 -0.473 0.000) 0.473 6.693 ( 0.000 0.033 0.000) 0.033 6.727 ( 0.000 -0.180 -0.000) 0.180 6.932 ( 0.000 -0.101 0.000) 0.101 6.936 ( 0.000 -0.213 -0.000) 0.213 7.093 ( 0.000 0.070 0.000) 0.070 7.123 ( 0.000 -0.002 0.000) 0.002 7.672 ( 0.000 0.174 0.000) 0.174 7.678 ( 0.000 0.101 -0.000) 0.101 8.091 ( 0.000 0.105 0.000) 0.105 8.093 ( 0.000 0.168 0.000) 0.168 8.463 ( 0.000 -0.842 -0.000) 0.842 8.480 ( 0.000 -1.048 -0.000) 1.048 8.904 ( 0.000 1.452 -0.000) 1.452 8.981 ( 0.000 0.554 0.000) 0.554 9.593 ( 0.000 0.681 0.000) 0.681 9.607 ( 0.000 0.618 0.000) 0.618 10.030 ( 0.000 1.214 -0.000) 1.214 10.367 ( 0.000 -2.859 0.000) 2.859 10.791 ( 0.000 -0.215 -0.000) 0.215 10.811 ( 0.000 -0.857 0.000) 0.857 10.857 ( 0.000 2.286 0.000) 2.286 10.888 ( 0.000 0.016 -0.000) 0.016 10.895 ( -0.000 -0.283 0.000) 0.283 10.975 ( 0.000 -0.471 0.000) 0.471 12.378 ( -0.000 0.994 0.000) 0.994 12.432 ( -0.000 0.352 -0.000) 0.352 13.028 ( 0.000 0.945 -0.000) 0.945 13.029 ( -0.000 1.126 0.000) 1.126 14.390 ( 0.000 0.208 0.000) 0.208 14.452 ( 0.000 0.193 -0.000) 0.193 14.918 ( 0.000 3.685 0.000) 3.685 15.093 ( 0.000 2.646 0.000) 2.646 15.914 ( 0.000 -0.310 0.000) 0.310 16.343 ( 0.000 -6.959 -0.000) 6.959 16.343 ( -0.000 1.006 0.000) 1.006 16.595 ( 0.000 1.554 -0.000) 1.554 17.065 ( 0.000 -1.837 -0.000) 1.837 17.074 ( -0.000 -0.441 -0.000) 0.441 17.190 ( 0.000 1.592 0.000) 1.592 17.421 ( -0.000 2.581 -0.000) 2.581 17.477 ( 0.000 -0.275 0.000) 0.275 17.689 ( 0.000 0.822 0.000) 0.822 18.045 ( -0.000 0.398 -0.000) 0.398 18.127 ( 0.000 -0.091 0.000) 0.091 18.785 ( 0.000 0.494 -0.000) 0.494 18.792 ( 0.000 0.168 0.000) 0.168 19.618 ( 0.000 0.584 0.000) 0.584 19.643 ( -0.000 0.186 0.000) 0.186 20.215 ( 0.000 -2.457 0.000) 2.457 20.573 ( 0.000 -7.425 -0.000) 7.425 21.564 ( -0.000 0.353 -0.000) 0.353 21.569 ( 0.000 0.158 0.000) 0.158 ======================= Grid point 22 (13/110) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 12.814 0.000) 12.814 0.687 ( 0.000 10.936 0.000) 10.936 0.719 ( 0.000 17.841 0.000) 17.841 0.841 ( 0.000 18.153 0.000) 18.153 1.040 ( 0.000 4.611 0.000) 4.611 1.206 ( 0.000 -2.414 0.000) 2.414 1.267 ( 0.000 6.709 0.000) 6.709 1.324 ( 0.000 3.773 0.000) 3.773 1.420 ( 0.000 1.130 0.000) 1.130 1.431 ( 0.000 -6.208 0.000) 6.208 1.487 ( 0.000 -1.514 0.000) 1.514 1.600 ( 0.000 -0.393 0.000) 0.393 1.677 ( 0.000 -2.137 0.000) 2.137 1.682 ( 0.000 -5.742 0.000) 5.742 1.823 ( 0.000 1.673 0.000) 1.673 1.847 ( 0.000 -3.359 0.000) 3.359 1.942 ( 0.000 -8.209 0.000) 8.209 1.987 ( 0.000 -1.099 0.000) 1.099 2.105 ( 0.000 1.210 0.000) 1.210 2.158 ( 0.000 0.092 0.000) 0.092 2.264 ( 0.000 -0.634 0.000) 0.634 2.333 ( 0.000 0.903 0.000) 0.903 2.468 ( 0.000 -0.538 0.000) 0.538 2.822 ( 0.000 -5.515 0.000) 5.515 3.505 ( 0.000 1.624 0.000) 1.624 3.513 ( 0.000 1.385 0.000) 1.385 3.689 ( 0.000 1.118 0.000) 1.118 3.716 ( 0.000 1.103 0.000) 1.103 4.803 ( 0.000 0.591 0.000) 0.591 4.806 ( 0.000 0.758 0.000) 0.758 5.213 ( 0.000 -0.052 0.000) 0.052 5.247 ( 0.000 -0.688 0.000) 0.688 6.716 ( 0.000 1.403 0.000) 1.403 6.737 ( 0.000 0.552 0.000) 0.552 6.916 ( 0.000 -0.091 0.000) 0.091 6.941 ( 0.000 0.192 0.000) 0.192 7.154 ( 0.000 -0.590 0.000) 0.590 7.164 ( 0.000 -0.547 0.000) 0.547 7.682 ( 0.000 0.228 0.000) 0.228 7.691 ( 0.000 -0.559 0.000) 0.559 8.133 ( 0.000 0.129 0.000) 0.129 8.137 ( 0.000 -0.063 0.000) 0.063 8.381 ( 0.000 -0.707 0.000) 0.707 8.398 ( 0.000 -0.916 0.000) 0.916 8.830 ( 0.000 1.354 0.000) 1.354 8.837 ( 0.000 1.044 0.000) 1.044 9.637 ( 0.000 0.880 0.000) 0.880 9.647 ( 0.000 0.870 0.000) 0.870 10.127 ( 0.000 2.767 0.000) 2.767 10.607 ( 0.000 -8.493 0.000) 8.493 10.821 ( 0.000 -0.464 0.000) 0.464 10.868 ( 0.000 -0.976 0.000) 0.976 10.903 ( 0.000 0.865 0.000) 0.865 10.918 ( 0.000 0.676 0.000) 0.676 10.965 ( 0.000 -1.166 0.000) 1.166 11.009 ( 0.000 -1.494 0.000) 1.494 12.505 ( 0.000 0.771 0.000) 0.771 12.509 ( 0.000 0.570 0.000) 0.570 13.056 ( 0.000 2.613 0.000) 2.613 13.177 ( 0.000 -0.967 0.000) 0.967 14.322 ( 0.000 2.578 0.000) 2.578 14.441 ( 0.000 0.846 0.000) 0.846 15.006 ( 0.000 4.643 0.000) 4.643 15.114 ( 0.000 1.025 0.000) 1.025 15.617 ( 0.000 4.094 0.000) 4.094 15.729 ( 0.000 1.119 0.000) 1.119 16.240 ( 0.000 0.258 0.000) 0.258 16.349 ( 0.000 -1.257 0.000) 1.257 16.965 ( 0.000 -3.867 0.000) 3.867 17.070 ( 0.000 -3.701 0.000) 3.701 17.367 ( 0.000 2.062 0.000) 2.062 17.841 ( 0.000 9.174 0.000) 9.174 18.009 ( 0.000 -4.120 0.000) 4.120 18.094 ( 0.000 0.641 0.000) 0.641 18.145 ( 0.000 -8.611 0.000) 8.611 18.203 ( 0.000 -1.632 0.000) 1.632 18.950 ( 0.000 0.755 0.000) 0.755 18.975 ( 0.000 2.069 0.000) 2.069 19.571 ( 0.000 7.713 0.000) 7.713 19.814 ( 0.000 2.198 0.000) 2.198 20.000 ( 0.000 -3.698 0.000) 3.698 20.352 ( 0.000 -12.222 0.000) 12.222 21.624 ( 0.000 0.312 0.000) 0.312 21.635 ( 0.000 0.532 0.000) 0.532 ======================= Grid point 23 (14/110) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 2.927 10.441 6.195) 12.489 0.653 ( -0.394 14.403 4.569) 15.116 0.730 ( 2.039 10.478 0.492) 10.686 0.985 ( 11.231 14.060 -3.574) 18.347 1.073 ( 2.484 4.576 4.664) 6.990 1.198 ( -0.424 -0.807 -2.205) 2.386 1.269 ( 0.395 5.375 1.693) 5.649 1.309 ( -0.949 2.167 -4.963) 5.498 1.413 ( 1.124 -1.472 -1.092) 2.150 1.451 ( 0.197 -1.086 0.376) 1.166 1.510 ( 1.420 -3.433 -2.181) 4.308 1.603 ( 0.968 -0.300 -0.025) 1.014 1.707 ( -0.327 -2.562 -3.255) 4.155 1.726 ( 3.553 -5.713 -0.673) 6.761 1.809 ( 3.657 -3.158 -1.552) 5.075 1.856 ( -0.384 -2.498 0.888) 2.679 1.978 ( 3.695 -5.561 2.082) 6.993 2.015 ( 1.828 -0.764 3.401) 3.936 2.089 ( -1.037 1.013 -2.238) 2.667 2.164 ( 0.082 0.149 1.600) 1.609 2.235 ( -1.903 0.637 -4.560) 4.982 2.341 ( -0.203 0.055 3.006) 3.013 2.434 ( -3.369 -0.567 1.836) 3.879 2.727 ( -8.749 -3.439 -0.156) 9.402 3.492 ( -0.776 1.458 -0.030) 1.652 3.524 ( 0.499 1.435 0.056) 1.520 3.686 ( -0.141 1.146 -0.032) 1.155 3.721 ( 0.456 1.111 -0.046) 1.202 4.793 ( -0.556 0.784 -0.057) 0.963 4.807 ( -0.224 0.562 0.089) 0.611 5.210 ( -0.266 -0.090 -0.053) 0.286 5.243 ( -0.353 -0.680 0.088) 0.771 6.708 ( -0.660 1.108 0.014) 1.290 6.741 ( 0.173 0.712 0.079) 0.737 6.917 ( 0.110 -0.122 0.149) 0.222 6.940 ( -0.093 0.138 -0.323) 0.364 7.145 ( -0.800 -0.446 0.034) 0.916 7.162 ( -0.304 -0.555 0.071) 0.637 7.677 ( -0.289 0.105 -0.223) 0.380 7.689 ( -0.303 -0.238 0.233) 0.450 8.129 ( -0.369 0.149 -0.018) 0.398 8.134 ( -0.331 -0.038 -0.030) 0.334 8.382 ( 0.253 -0.739 0.085) 0.785 8.409 ( 0.976 -0.941 -0.069) 1.358 8.836 ( 1.215 1.567 -0.140) 1.988 8.886 ( 3.577 -0.679 0.243) 3.649 9.632 ( -0.435 0.889 0.196) 1.009 9.645 ( -0.221 0.819 -0.221) 0.876 10.122 ( -0.576 2.728 0.110) 2.790 10.564 ( -3.997 -7.001 -1.020) 8.126 10.811 ( -0.827 -0.321 0.132) 0.897 10.857 ( -1.253 -0.550 0.200) 1.383 10.888 ( -0.307 0.341 -0.707) 0.843 10.930 ( 0.355 0.720 0.112) 0.811 10.965 ( 0.037 -1.164 -0.460) 1.252 10.985 ( -2.079 0.071 1.570) 2.607 12.468 ( -2.278 0.696 -0.232) 2.393 12.518 ( -0.273 0.635 0.164) 0.710 13.053 ( -0.302 2.415 0.340) 2.457 13.164 ( -1.267 0.050 -0.012) 1.268 14.331 ( 0.918 2.431 0.218) 2.608 14.443 ( 0.174 0.808 0.116) 0.834 15.001 ( -0.400 4.620 0.233) 4.643 15.127 ( 0.980 1.037 0.980) 1.731 15.631 ( 1.804 3.707 0.473) 4.150 15.780 ( 4.811 0.577 -0.013) 4.845 16.250 ( 1.237 0.769 -0.573) 1.565 16.391 ( 3.588 -2.389 0.858) 4.395 16.973 ( 0.827 -4.234 -0.476) 4.340 17.061 ( -0.829 -3.452 0.083) 3.551 17.348 ( -1.793 2.083 -0.656) 2.826 17.747 ( -6.804 11.432 0.155) 13.305 17.981 ( -3.483 -5.833 1.540) 6.966 18.070 ( -1.131 0.523 0.404) 1.310 18.137 ( -0.531 -6.626 -2.932) 7.265 18.271 ( 1.784 -0.072 3.672) 4.083 18.946 ( -1.385 0.931 -0.291) 1.693 18.959 ( -1.135 1.303 -1.121) 2.060 19.525 ( -1.836 8.646 0.356) 8.846 19.801 ( -1.482 2.097 1.300) 2.878 20.059 ( 4.492 -7.411 1.261) 8.758 20.279 ( -5.808 -10.699 -4.631) 13.025 21.622 ( -0.180 0.399 -0.363) 0.569 21.634 ( -0.293 0.496 0.171) 0.600 ======================= Grid point 24 (15/110) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 3.325 7.440 7.070) 10.788 0.760 ( 9.041 6.812 4.440) 12.159 0.798 ( 5.782 3.827 -2.133) 7.255 1.111 ( -0.438 2.910 -5.344) 6.101 1.132 ( 1.929 3.654 4.245) 5.924 1.255 ( 7.533 2.282 0.009) 7.871 1.288 ( 0.747 1.553 -2.182) 2.780 1.305 ( 3.314 5.700 2.487) 7.047 1.403 ( -3.109 -5.732 -1.217) 6.633 1.446 ( 1.490 2.310 -6.639) 7.186 1.518 ( -0.581 -3.239 1.380) 3.569 1.644 ( 0.571 -1.668 -2.143) 2.775 1.669 ( 1.723 -1.006 0.328) 2.022 1.791 ( 2.553 -4.352 -1.977) 5.419 1.865 ( 1.191 -2.836 3.535) 4.686 1.912 ( 5.246 -3.760 -1.038) 6.537 2.038 ( 0.976 0.523 -0.936) 1.450 2.075 ( 0.570 -0.633 1.849) 2.036 2.083 ( 4.194 -2.245 -0.054) 4.757 2.147 ( -2.009 -0.759 -2.442) 3.252 2.193 ( -1.431 2.049 -0.775) 2.616 2.316 ( -2.891 -0.057 1.685) 3.347 2.378 ( -2.525 -1.099 3.543) 4.488 2.534 ( -10.284 -1.980 -0.601) 10.490 3.479 ( -0.646 1.308 0.023) 1.459 3.526 ( -0.382 1.328 0.040) 1.382 3.687 ( 0.320 1.257 -0.073) 1.299 3.729 ( 0.279 1.243 -0.069) 1.276 4.785 ( -0.272 0.615 -0.228) 0.710 4.799 ( -0.593 0.489 0.288) 0.821 5.203 ( -0.393 -0.179 -0.102) 0.444 5.233 ( -0.678 -0.641 0.124) 0.941 6.696 ( -0.507 0.721 -0.025) 0.881 6.741 ( -0.151 0.673 0.084) 0.695 6.921 ( 0.166 -0.152 0.331) 0.400 6.937 ( -0.110 -0.023 -0.502) 0.514 7.128 ( -0.886 -0.272 0.004) 0.926 7.152 ( -0.736 -0.460 0.089) 0.873 7.674 ( -0.030 0.058 -0.276) 0.284 7.682 ( -0.354 0.102 0.378) 0.528 8.119 ( -0.624 0.173 -0.009) 0.647 8.125 ( -0.578 0.047 -0.024) 0.580 8.392 ( 0.764 -0.784 0.084) 1.098 8.430 ( 1.155 -1.025 -0.061) 1.545 8.867 ( 1.878 1.449 -0.250) 2.385 8.948 ( 2.487 -1.399 0.126) 2.856 9.624 ( -0.481 0.872 0.263) 1.030 9.638 ( -0.384 0.775 -0.342) 0.930 10.107 ( -0.949 2.619 0.055) 2.786 10.471 ( -4.926 -4.776 -0.569) 6.884 10.797 ( -0.607 -0.533 0.375) 0.891 10.831 ( -1.268 -0.278 0.191) 1.312 10.886 ( 0.094 -0.232 -0.873) 0.909 10.928 ( -0.579 0.820 -0.007) 1.004 10.948 ( -1.743 1.182 1.838) 2.795 10.968 ( 0.020 -1.060 -0.476) 1.162 12.428 ( -1.631 0.596 -0.575) 1.829 12.503 ( -1.179 0.652 0.363) 1.396 13.049 ( -0.152 2.059 0.187) 2.073 13.132 ( -1.907 1.163 0.005) 2.234 14.354 ( 1.275 2.028 0.264) 2.410 14.447 ( 0.208 0.691 0.068) 0.724 14.997 ( -0.046 4.679 0.152) 4.681 15.146 ( 0.619 1.511 0.988) 1.908 15.693 ( 4.400 2.822 0.660) 5.269 15.898 ( 7.149 -1.417 -0.529) 7.307 16.283 ( 2.176 1.269 -0.512) 2.570 16.467 ( 3.794 -2.647 1.073) 4.749 16.989 ( 0.897 -4.004 -1.388) 4.332 17.046 ( -0.533 -2.912 0.443) 2.994 17.302 ( -2.625 1.637 -0.239) 3.103 17.633 ( -5.097 11.643 0.490) 12.719 17.875 ( -7.896 -7.637 1.726) 11.120 18.057 ( -0.580 0.693 0.791) 1.201 18.109 ( -1.637 -3.325 -6.383) 7.381 18.227 ( -6.318 3.505 5.013) 8.794 18.898 ( -2.929 1.595 -0.169) 3.339 18.912 ( -3.319 1.231 -0.767) 3.622 19.565 ( 4.873 3.918 -0.429) 6.267 19.767 ( -2.314 1.973 1.758) 3.513 20.094 ( -3.928 -7.329 6.683) 10.668 20.213 ( 3.730 -10.735 -8.851) 14.405 21.614 ( -0.604 0.504 -0.218) 0.816 21.621 ( -1.038 0.550 0.047) 1.176 ======================= Grid point 25 (16/110) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.155 2.452 4.408) 7.958 0.897 ( 6.490 -5.221 -6.040) 10.289 0.975 ( 6.745 1.755 4.044) 8.058 1.062 ( -1.239 2.311 -3.339) 4.245 1.176 ( 3.762 2.741 1.964) 5.052 1.276 ( -2.817 -3.557 -4.245) 6.214 1.284 ( -0.777 -4.321 -0.685) 4.443 1.345 ( -0.340 -2.998 2.542) 3.945 1.446 ( 4.771 2.727 -3.745) 6.650 1.491 ( -1.821 -2.253 2.236) 3.659 1.533 ( 8.182 4.933 1.450) 9.664 1.621 ( -0.926 -2.018 -1.052) 2.457 1.741 ( 2.990 -0.602 0.488) 3.089 1.834 ( 2.941 -0.801 1.508) 3.400 1.907 ( 1.604 -3.460 3.204) 4.981 1.983 ( 2.565 0.806 -2.630) 3.761 2.029 ( -1.863 0.885 -2.012) 2.881 2.074 ( -1.357 -1.541 -1.769) 2.710 2.096 ( -0.820 1.848 1.287) 2.396 2.146 ( -0.753 0.650 -0.369) 1.060 2.178 ( 1.414 -2.495 -0.102) 2.870 2.283 ( -0.521 0.073 2.358) 2.416 2.333 ( -3.709 -3.183 1.239) 5.042 2.360 ( -6.212 -0.995 -1.200) 6.404 3.468 ( -0.433 1.166 0.058) 1.245 3.511 ( -1.073 1.186 -0.000) 1.599 3.697 ( 0.654 1.402 -0.044) 1.548 3.731 ( 0.040 1.438 -0.061) 1.440 4.781 ( -0.133 0.399 -0.387) 0.571 4.789 ( -0.458 0.426 0.419) 0.753 5.196 ( -0.345 -0.249 -0.110) 0.439 5.219 ( -0.773 -0.608 0.125) 0.991 6.690 ( -0.087 0.343 -0.164) 0.391 6.736 ( -0.433 0.346 0.189) 0.586 6.925 ( 0.180 -0.199 0.403) 0.484 6.933 ( -0.119 -0.170 -0.508) 0.549 7.112 ( -0.750 -0.089 -0.028) 0.756 7.137 ( -0.747 -0.312 0.038) 0.810 7.674 ( 0.085 0.183 -0.303) 0.364 7.679 ( -0.074 0.157 0.415) 0.450 8.107 ( -0.617 0.200 0.011) 0.649 8.113 ( -0.627 0.139 -0.022) 0.643 8.411 ( 1.084 -0.860 0.067) 1.385 8.449 ( 0.761 -1.111 -0.046) 1.347 8.901 ( 1.592 1.416 -0.140) 2.135 8.980 ( 0.928 -0.743 -0.043) 1.189 9.616 ( -0.350 0.901 0.245) 0.997 9.630 ( -0.343 0.787 -0.347) 0.926 10.087 ( -0.984 2.481 -0.050) 2.670 10.384 ( -3.884 -3.855 0.066) 5.472 10.790 ( -0.290 -0.711 0.260) 0.810 10.811 ( -0.889 -0.291 0.259) 0.970 10.885 ( 0.042 -0.352 -0.889) 0.958 10.912 ( -0.976 0.718 0.547) 1.329 10.925 ( -1.047 1.708 0.806) 2.159 10.966 ( -0.134 -1.163 -0.313) 1.212 12.405 ( -0.617 0.760 -0.762) 1.240 12.479 ( -1.424 0.695 0.503) 1.662 13.047 ( -0.049 1.715 0.041) 1.716 13.096 ( -1.753 1.447 0.022) 2.273 14.378 ( 1.062 1.486 0.157) 1.833 14.451 ( 0.209 0.473 0.049) 0.520 14.999 ( 0.248 4.901 0.133) 4.909 15.154 ( 0.057 2.235 0.523) 2.296 15.791 ( 5.205 1.859 0.572) 5.557 16.038 ( 7.218 -4.228 -0.666) 8.392 16.325 ( 2.124 1.600 -0.076) 2.661 16.536 ( 3.117 -1.825 0.730) 3.685 16.997 ( 0.554 -2.025 -2.275) 3.096 17.047 ( 0.330 -2.305 1.122) 2.585 17.257 ( -1.954 0.521 0.520) 2.088 17.552 ( -3.446 8.955 0.408) 9.604 17.698 ( -10.186 -6.823 -0.146) 12.261 17.984 ( -9.032 2.448 -2.339) 9.646 18.058 ( -0.282 0.422 -1.048) 1.165 18.146 ( -2.261 0.425 3.250) 3.982 18.845 ( -2.524 1.244 0.365) 2.837 18.850 ( -2.636 0.923 -0.658) 2.869 19.635 ( 1.556 1.320 -0.829) 2.203 19.724 ( -2.486 1.269 0.306) 2.807 20.061 ( 0.832 -4.670 4.515) 6.549 20.296 ( 5.070 -10.998 -4.164) 12.806 21.597 ( -1.199 0.481 -0.128) 1.298 21.599 ( -0.957 0.432 0.022) 1.050 ======================= Grid point 26 (17/110) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 7.155 -1.360 3.130) 7.927 0.948 ( -1.372 -3.868 -4.341) 5.974 0.993 ( 1.401 -5.778 -1.428) 6.115 1.070 ( -0.995 -4.035 -3.584) 5.488 1.197 ( -3.009 -5.120 -0.034) 5.939 1.272 ( 0.295 -4.930 -1.189) 5.080 1.309 ( 5.058 2.816 0.271) 5.796 1.404 ( 3.838 -2.898 5.249) 7.119 1.476 ( 1.978 -2.899 4.055) 5.363 1.490 ( 2.144 2.712 -5.476) 6.476 1.590 ( -0.085 -1.091 -0.178) 1.109 1.696 ( 5.050 2.300 1.705) 5.805 1.776 ( 0.594 0.827 0.680) 1.224 1.866 ( -3.374 2.465 -0.167) 4.182 1.930 ( -1.062 0.155 1.882) 2.166 1.976 ( 0.818 -0.173 2.927) 3.044 2.000 ( 0.168 -0.813 -1.969) 2.137 2.055 ( -1.880 -0.969 -1.268) 2.465 2.088 ( 2.516 1.152 -0.856) 2.897 2.134 ( -0.218 -1.021 -0.827) 1.332 2.192 ( -0.486 -0.546 -0.451) 0.859 2.236 ( -3.978 -2.328 -0.518) 4.639 2.289 ( -1.404 -1.026 0.295) 1.764 2.316 ( 0.698 -0.542 0.550) 1.041 3.463 ( -0.051 1.089 0.064) 1.092 3.489 ( -1.053 1.066 -0.032) 1.499 3.710 ( 0.558 1.497 -0.006) 1.597 3.731 ( -0.109 1.608 -0.035) 1.612 4.778 ( -0.061 0.281 -0.294) 0.411 4.784 ( -0.193 0.396 0.297) 0.531 5.191 ( -0.148 -0.257 -0.081) 0.307 5.206 ( -0.560 -0.605 0.093) 0.830 6.691 ( 0.223 0.111 -0.231) 0.339 6.727 ( -0.500 -0.106 0.246) 0.567 6.929 ( 0.108 -0.253 0.145) 0.311 6.930 ( -0.068 -0.268 -0.188) 0.335 7.100 ( -0.439 0.091 -0.032) 0.450 7.126 ( -0.434 -0.194 0.003) 0.475 7.675 ( 0.106 0.254 -0.153) 0.315 7.680 ( 0.027 0.154 0.217) 0.267 8.097 ( -0.335 0.222 0.022) 0.402 8.102 ( -0.444 0.203 -0.023) 0.489 8.432 ( 1.004 -0.942 0.053) 1.378 8.458 ( 0.106 -1.167 -0.044) 1.173 8.926 ( 0.925 1.455 -0.031) 1.725 8.989 ( 0.141 -0.070 -0.075) 0.174 9.612 ( -0.169 0.966 0.149) 0.992 9.624 ( -0.191 0.832 -0.212) 0.879 10.071 ( -0.632 2.370 -0.070) 2.454 10.326 ( -2.167 -3.458 0.190) 4.085 10.787 ( -0.094 -0.514 -0.022) 0.523 10.799 ( -0.442 -0.497 0.327) 0.741 10.884 ( 0.025 -0.251 -0.718) 0.761 10.897 ( -0.661 0.576 0.668) 1.102 10.910 ( -0.534 1.665 0.161) 1.756 10.962 ( -0.181 -1.090 -0.125) 1.112 12.400 ( 0.166 1.127 -0.655) 1.314 12.454 ( -1.199 0.673 0.495) 1.461 13.048 ( 0.086 1.438 -0.013) 1.441 13.068 ( -1.118 1.372 0.031) 1.771 14.394 ( 0.574 1.004 0.050) 1.157 14.455 ( 0.134 0.271 0.041) 0.305 15.005 ( 0.274 5.147 0.114) 5.155 15.153 ( -0.181 2.748 0.146) 2.757 15.880 ( 3.560 1.053 0.327) 3.727 16.154 ( 4.581 -6.440 -0.470) 7.918 16.359 ( 1.245 1.803 0.239) 2.205 16.586 ( 1.844 -1.009 0.204) 2.112 17.010 ( 1.385 -1.006 -1.423) 2.227 17.059 ( 0.520 -1.075 1.009) 1.563 17.230 ( -1.084 0.594 0.391) 1.296 17.486 ( -6.318 -1.892 0.241) 6.600 17.537 ( -2.375 2.902 -1.242) 3.950 17.801 ( -8.545 1.942 -0.034) 8.763 18.055 ( -0.022 0.589 -0.176) 0.615 18.127 ( -0.591 -0.390 0.844) 1.102 18.808 ( -1.288 0.712 0.221) 1.488 18.811 ( -1.349 0.562 -0.309) 1.494 19.637 ( -0.404 0.958 -0.182) 1.055 19.675 ( -2.241 0.717 -0.269) 2.368 20.121 ( 3.129 -3.399 2.323) 5.171 20.369 ( 2.987 -10.253 -1.872) 10.843 21.577 ( -0.742 0.315 -0.015) 0.806 21.581 ( -0.787 0.249 -0.035) 0.826 ======================= Grid point 27 (18/110) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 -3.679 0.000) 3.679 0.926 ( -0.000 -2.385 -0.000) 2.385 1.006 ( 0.000 -7.397 0.000) 7.397 1.015 ( -0.000 -4.949 -0.000) 4.949 1.175 ( 0.000 -6.511 -0.000) 6.511 1.274 ( 0.000 -4.068 -0.000) 4.068 1.382 ( -0.000 -7.733 0.000) 7.733 1.386 ( 0.000 3.130 -0.000) 3.130 1.486 ( 0.000 -1.648 0.000) 1.648 1.591 ( -0.000 -0.885 -0.000) 0.885 1.646 ( -0.000 3.498 -0.000) 3.498 1.716 ( 0.000 3.474 0.000) 3.474 1.762 ( -0.000 2.517 0.000) 2.517 1.770 ( 0.000 1.006 -0.000) 1.006 1.918 ( 0.000 -1.539 -0.000) 1.539 1.991 ( 0.000 -0.423 -0.000) 0.423 2.031 ( 0.000 1.099 0.000) 1.099 2.051 ( -0.000 -2.352 -0.000) 2.352 2.106 ( 0.000 -2.740 0.000) 2.740 2.147 ( 0.000 -1.562 -0.000) 1.562 2.165 ( 0.000 1.962 0.000) 1.962 2.187 ( 0.000 1.244 -0.000) 1.244 2.274 ( -0.000 -1.344 0.000) 1.344 2.329 ( 0.000 -0.843 -0.000) 0.843 3.465 ( -0.000 1.106 -0.000) 1.106 3.476 ( 0.000 0.984 -0.000) 0.984 3.716 ( 0.000 1.495 0.000) 1.495 3.729 ( 0.000 1.706 0.000) 1.706 4.777 ( 0.000 0.252 -0.000) 0.252 4.782 ( 0.000 0.384 0.000) 0.384 5.190 ( 0.000 -0.224 -0.000) 0.224 5.201 ( 0.000 -0.633 -0.000) 0.633 6.694 ( 0.000 0.102 0.000) 0.102 6.721 ( 0.000 -0.380 -0.000) 0.380 6.929 ( 0.000 -0.225 0.000) 0.225 6.931 ( 0.000 -0.357 -0.000) 0.357 7.096 ( 0.000 0.172 0.000) 0.172 7.121 ( 0.000 -0.150 0.000) 0.150 7.676 ( 0.000 0.254 0.000) 0.254 7.681 ( 0.000 0.169 -0.000) 0.169 8.094 ( 0.000 0.223 0.000) 0.223 8.097 ( 0.000 0.232 -0.000) 0.232 8.444 ( -0.000 -0.944 0.000) 0.944 8.456 ( 0.000 -1.222 -0.000) 1.222 8.935 ( 0.000 1.480 -0.000) 1.480 8.989 ( 0.000 0.176 0.000) 0.176 9.610 ( 0.000 0.997 -0.000) 0.997 9.622 ( 0.000 0.857 0.000) 0.857 10.065 ( 0.000 2.328 -0.000) 2.328 10.305 ( 0.000 -3.312 -0.000) 3.312 10.786 ( 0.000 -0.278 -0.000) 0.278 10.795 ( -0.000 -0.709 0.000) 0.709 10.883 ( 0.000 -0.097 0.000) 0.097 10.891 ( 0.000 0.420 0.000) 0.420 10.905 ( -0.000 1.594 -0.000) 1.594 10.960 ( 0.000 -1.043 0.000) 1.043 12.402 ( -0.000 1.429 0.000) 1.429 12.441 ( 0.000 0.528 -0.000) 0.528 13.051 ( 0.000 1.279 -0.000) 1.279 13.055 ( -0.000 1.361 0.000) 1.361 14.399 ( 0.000 0.808 0.000) 0.808 14.456 ( 0.000 0.193 -0.000) 0.193 15.008 ( 0.000 5.253 0.000) 5.253 15.151 ( 0.000 2.914 0.000) 2.914 15.916 ( 0.000 0.717 0.000) 0.717 16.200 ( 0.000 -7.219 -0.000) 7.219 16.371 ( -0.000 1.884 0.000) 1.884 16.605 ( 0.000 -0.655 -0.000) 0.655 17.031 ( 0.000 -1.430 0.000) 1.430 17.065 ( 0.000 -0.452 -0.000) 0.452 17.218 ( -0.000 1.235 -0.000) 1.235 17.400 ( -0.000 -3.303 0.000) 3.303 17.540 ( 0.000 4.917 0.000) 4.917 17.702 ( -0.000 0.314 0.000) 0.314 18.055 ( -0.000 0.619 -0.000) 0.619 18.122 ( 0.000 -0.430 0.000) 0.430 18.797 ( -0.000 0.626 -0.000) 0.626 18.797 ( 0.000 0.310 0.000) 0.310 19.634 ( 0.000 1.013 -0.000) 1.013 19.650 ( -0.000 0.529 0.000) 0.529 20.157 ( 0.000 -3.054 0.000) 3.054 20.396 ( 0.000 -9.890 -0.000) 9.890 21.571 ( 0.000 0.251 -0.000) 0.251 21.572 ( -0.000 0.133 0.000) 0.133 ======================= Grid point 33 (19/110) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 13.087 0.000) 13.087 0.918 ( 0.000 12.265 0.000) 12.265 1.042 ( 0.000 14.162 0.000) 14.162 1.118 ( 0.000 2.876 0.000) 2.876 1.125 ( 0.000 0.797 0.000) 0.797 1.131 ( 0.000 5.704 0.000) 5.704 1.310 ( 0.000 -4.809 0.000) 4.809 1.328 ( 0.000 -3.647 0.000) 3.647 1.392 ( 0.000 4.812 0.000) 4.812 1.396 ( 0.000 -2.629 0.000) 2.629 1.470 ( 0.000 -2.082 0.000) 2.082 1.595 ( 0.000 -6.298 0.000) 6.298 1.627 ( 0.000 2.048 0.000) 2.048 1.629 ( 0.000 1.432 0.000) 1.432 1.777 ( 0.000 -7.261 0.000) 7.261 1.779 ( 0.000 -3.852 0.000) 3.852 1.855 ( 0.000 2.448 0.000) 2.448 1.973 ( 0.000 -0.782 0.000) 0.782 2.126 ( 0.000 0.025 0.000) 0.025 2.140 ( 0.000 -1.861 0.000) 1.861 2.273 ( 0.000 2.044 0.000) 2.044 2.361 ( 0.000 0.844 0.000) 0.844 2.459 ( 0.000 1.220 0.000) 1.220 2.696 ( 0.000 -7.283 0.000) 7.283 3.533 ( 0.000 1.117 0.000) 1.117 3.536 ( 0.000 0.930 0.000) 0.930 3.713 ( 0.000 1.200 0.000) 1.200 3.732 ( 0.000 0.443 0.000) 0.443 4.815 ( 0.000 0.495 0.000) 0.495 4.818 ( 0.000 0.416 0.000) 0.416 5.214 ( 0.000 0.175 0.000) 0.175 5.233 ( 0.000 -0.714 0.000) 0.714 6.740 ( 0.000 0.957 0.000) 0.957 6.748 ( 0.000 0.431 0.000) 0.431 6.921 ( 0.000 0.584 0.000) 0.584 6.942 ( 0.000 -0.133 0.000) 0.133 7.142 ( 0.000 -0.511 0.000) 0.511 7.150 ( 0.000 -0.786 0.000) 0.786 7.684 ( 0.000 -0.146 0.000) 0.146 7.685 ( 0.000 0.018 0.000) 0.018 8.135 ( 0.000 0.105 0.000) 0.105 8.137 ( 0.000 0.005 0.000) 0.005 8.371 ( 0.000 -0.260 0.000) 0.260 8.382 ( 0.000 -0.736 0.000) 0.736 8.852 ( 0.000 0.826 0.000) 0.826 8.854 ( 0.000 0.668 0.000) 0.668 9.653 ( 0.000 0.752 0.000) 0.752 9.661 ( 0.000 0.463 0.000) 0.463 10.196 ( 0.000 4.423 0.000) 4.423 10.442 ( 0.000 -8.143 0.000) 8.143 10.818 ( 0.000 0.205 0.000) 0.205 10.847 ( 0.000 -1.078 0.000) 1.078 10.921 ( 0.000 0.967 0.000) 0.967 10.927 ( 0.000 0.356 0.000) 0.356 10.948 ( 0.000 -0.559 0.000) 0.559 10.979 ( 0.000 -1.582 0.000) 1.582 12.518 ( 0.000 0.487 0.000) 0.487 12.519 ( 0.000 0.400 0.000) 0.400 13.102 ( 0.000 2.014 0.000) 2.014 13.157 ( 0.000 -1.062 0.000) 1.062 14.373 ( 0.000 2.618 0.000) 2.618 14.443 ( 0.000 -0.641 0.000) 0.641 15.080 ( 0.000 2.896 0.000) 2.896 15.126 ( 0.000 0.173 0.000) 0.173 15.701 ( 0.000 4.157 0.000) 4.157 15.757 ( 0.000 1.272 0.000) 1.272 16.249 ( 0.000 0.798 0.000) 0.798 16.314 ( 0.000 -2.170 0.000) 2.170 16.926 ( 0.000 -0.367 0.000) 0.367 16.998 ( 0.000 -3.481 0.000) 3.481 17.443 ( 0.000 6.012 0.000) 6.012 17.829 ( 0.000 -12.259 0.000) 12.259 17.970 ( 0.000 4.445 0.000) 4.445 18.060 ( 0.000 -1.785 0.000) 1.785 18.112 ( 0.000 1.221 0.000) 1.221 18.171 ( 0.000 -1.666 0.000) 1.666 18.973 ( 0.000 1.439 0.000) 1.439 19.002 ( 0.000 0.595 0.000) 0.595 19.698 ( 0.000 5.167 0.000) 5.167 19.892 ( 0.000 5.808 0.000) 5.808 19.902 ( 0.000 -6.008 0.000) 6.008 20.157 ( 0.000 -8.039 0.000) 8.039 21.630 ( 0.000 0.371 0.000) 0.371 21.640 ( 0.000 0.012 0.000) 0.012 ======================= Grid point 34 (20/110) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.635 12.033 2.402) 12.287 0.891 ( -1.161 11.756 -5.256) 12.930 1.005 ( -4.054 14.419 10.382) 18.224 1.116 ( -0.092 -5.809 -0.773) 5.861 1.138 ( 2.619 2.803 -2.018) 4.335 1.208 ( 4.383 6.524 -0.102) 7.860 1.274 ( -1.708 -3.750 -1.988) 4.575 1.339 ( 0.637 -4.257 -2.679) 5.070 1.408 ( 1.648 4.806 0.297) 5.090 1.433 ( 1.552 -2.052 4.133) 4.869 1.482 ( 1.525 1.127 -0.558) 1.977 1.608 ( -0.788 -0.171 -1.658) 1.844 1.649 ( 4.694 -6.467 -0.579) 8.012 1.666 ( 3.323 1.037 0.278) 3.492 1.703 ( -4.572 -4.549 -1.287) 6.577 1.793 ( 1.603 -3.707 -1.589) 4.340 1.902 ( 3.504 -1.110 1.785) 4.086 2.011 ( 2.682 -1.250 -0.723) 3.047 2.102 ( -0.821 0.241 -2.318) 2.470 2.166 ( 0.968 -0.437 2.763) 2.960 2.255 ( -1.465 2.190 -1.690) 3.130 2.361 ( -0.441 0.343 2.093) 2.166 2.422 ( -3.526 1.293 0.298) 3.767 2.635 ( -5.919 -5.812 -0.320) 8.302 3.522 ( -0.693 1.441 -0.004) 1.599 3.544 ( 0.238 0.532 0.040) 0.584 3.711 ( -0.009 1.329 -0.036) 1.329 3.736 ( 0.419 0.333 -0.109) 0.546 4.807 ( -0.531 0.630 -0.060) 0.826 4.816 ( -0.341 0.255 0.096) 0.437 5.211 ( -0.323 0.163 -0.015) 0.362 5.229 ( -0.335 -0.720 0.031) 0.795 6.730 ( -0.743 1.107 -0.031) 1.334 6.751 ( 0.023 0.196 0.094) 0.218 6.921 ( -0.045 0.462 0.133) 0.483 6.940 ( -0.212 -0.167 -0.160) 0.314 7.136 ( -0.541 -0.325 -0.016) 0.632 7.148 ( -0.282 -0.824 0.084) 0.875 7.679 ( -0.223 0.127 -0.239) 0.351 7.686 ( -0.098 -0.141 0.185) 0.253 8.132 ( -0.335 0.125 -0.001) 0.358 8.134 ( -0.298 0.013 -0.001) 0.298 8.373 ( 0.328 -0.148 0.027) 0.360 8.391 ( 0.817 -0.887 -0.069) 1.208 8.862 ( 1.230 1.052 -0.046) 1.619 8.880 ( 2.181 -0.115 0.181) 2.192 9.649 ( -0.413 0.775 0.135) 0.889 9.658 ( -0.294 0.427 -0.094) 0.527 10.189 ( -0.749 4.274 0.195) 4.344 10.420 ( -2.192 -7.406 -0.287) 7.729 10.811 ( -0.655 0.298 -0.121) 0.729 10.841 ( -0.731 -0.980 0.060) 1.224 10.902 ( -0.889 0.976 -0.534) 1.424 10.939 ( 0.294 -0.174 -0.184) 0.388 10.947 ( -0.066 -0.296 0.011) 0.304 10.974 ( -0.577 -0.962 0.778) 1.365 12.487 ( -2.021 1.180 -0.104) 2.342 12.522 ( -0.559 -0.264 0.111) 0.628 13.098 ( -0.354 2.109 0.113) 2.142 13.155 ( -0.352 -0.853 -0.074) 0.926 14.380 ( 0.645 2.478 0.080) 2.562 14.446 ( 0.207 -0.573 0.166) 0.631 15.078 ( -0.143 3.189 0.256) 3.202 15.137 ( 0.937 -0.076 0.529) 1.078 15.712 ( 1.452 4.287 0.166) 4.530 15.795 ( 3.487 0.447 -0.097) 3.516 16.267 ( 1.792 1.093 -0.367) 2.131 16.343 ( 2.737 -2.569 0.386) 3.774 16.929 ( 0.379 -0.571 -0.007) 0.685 16.993 ( -0.416 -3.258 0.452) 3.316 17.421 ( -2.070 5.750 -0.812) 6.165 17.790 ( -3.850 -11.689 -0.913) 12.341 17.931 ( -3.501 7.147 0.713) 7.990 18.064 ( 0.417 -1.660 -2.084) 2.697 18.090 ( -1.062 1.210 0.569) 1.708 18.222 ( 2.066 -4.042 2.714) 5.289 18.962 ( -1.219 0.975 -0.511) 1.642 18.981 ( -1.955 0.601 -0.633) 2.141 19.688 ( -0.879 7.320 1.169) 7.465 19.854 ( -1.678 3.412 -4.367) 5.790 19.930 ( 0.863 -5.804 6.944) 9.091 20.100 ( -4.566 -7.693 -4.015) 9.806 21.630 ( -0.128 0.374 -0.199) 0.442 21.639 ( -0.259 0.031 0.196) 0.326 ======================= Grid point 35 (21/110) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.012 9.576 5.264) 10.928 0.862 ( -0.694 6.641 -5.845) 8.874 0.994 ( 1.168 10.508 8.073) 13.303 1.119 ( 1.223 -3.812 0.335) 4.017 1.151 ( -1.593 -0.081 -1.743) 2.363 1.214 ( -2.546 -5.018 -1.277) 5.770 1.276 ( 0.035 -1.007 -5.693) 5.781 1.344 ( 0.188 2.166 0.453) 2.221 1.412 ( -0.754 -2.797 5.224) 5.973 1.503 ( 2.353 5.829 1.891) 6.564 1.512 ( 4.467 4.191 -5.964) 8.549 1.614 ( 0.892 -2.426 -3.945) 4.716 1.633 ( -0.239 -4.840 4.377) 6.530 1.748 ( 4.933 -1.703 -0.144) 5.221 1.753 ( 4.713 -2.530 0.672) 5.391 1.854 ( 4.752 -3.092 -0.961) 5.751 1.977 ( 3.548 -4.273 1.118) 5.665 2.032 ( 0.064 -3.439 -3.809) 5.132 2.104 ( 0.917 2.444 0.384) 2.639 2.176 ( -0.537 1.849 1.881) 2.692 2.215 ( -2.122 1.445 -1.474) 2.961 2.344 ( -3.144 -2.223 1.936) 4.310 2.348 ( -2.396 3.120 0.950) 4.047 2.493 ( -7.934 -2.680 -0.641) 8.399 3.508 ( -0.737 1.585 0.025) 1.748 3.542 ( -0.535 0.228 0.038) 0.583 3.715 ( 0.419 1.464 -0.061) 1.524 3.744 ( 0.418 0.291 -0.122) 0.524 4.797 ( -0.477 0.575 -0.150) 0.762 4.806 ( -0.629 0.190 0.203) 0.688 5.203 ( -0.486 0.112 -0.026) 0.499 5.220 ( -0.619 -0.695 0.051) 0.932 6.715 ( -0.763 1.160 -0.019) 1.389 6.747 ( -0.433 -0.148 0.105) 0.469 6.921 ( 0.002 0.187 0.205) 0.277 6.934 ( -0.281 -0.245 -0.273) 0.462 7.124 ( -0.661 -0.061 -0.022) 0.664 7.140 ( -0.570 -0.738 0.094) 0.937 7.677 ( 0.008 0.210 -0.234) 0.314 7.683 ( -0.166 -0.043 0.189) 0.255 8.123 ( -0.580 0.175 0.002) 0.606 8.126 ( -0.518 0.032 -0.007) 0.519 8.384 ( 0.776 -0.025 0.020) 0.776 8.409 ( 1.028 -1.090 -0.077) 1.500 8.893 ( 1.815 1.125 -0.093) 2.137 8.927 ( 2.299 -0.876 0.210) 2.469 9.641 ( -0.480 0.790 0.203) 0.946 9.650 ( -0.419 0.391 -0.142) 0.591 10.170 ( -1.228 3.902 0.217) 4.097 10.365 ( -3.222 -5.797 -0.323) 6.640 10.796 ( -0.739 0.351 -0.030) 0.818 10.823 ( -1.045 -0.652 0.141) 1.240 10.890 ( -0.288 0.697 -0.728) 1.048 10.938 ( -0.157 -1.022 -0.343) 1.089 10.943 ( -0.560 0.326 0.315) 0.721 10.962 ( -0.816 -0.163 0.807) 1.159 12.450 ( -1.589 1.557 -0.246) 2.238 12.504 ( -1.196 -0.620 0.195) 1.362 13.090 ( -0.440 2.040 0.059) 2.088 13.140 ( -1.197 -0.287 -0.056) 1.232 14.395 ( 0.821 2.109 0.030) 2.264 14.450 ( 0.183 -0.422 0.183) 0.495 15.080 ( 0.320 3.725 0.257) 3.748 15.159 ( 1.041 -0.255 0.843) 1.364 15.762 ( 3.600 4.025 0.395) 5.415 15.876 ( 4.809 -1.236 -0.711) 5.016 16.311 ( 2.737 1.743 -0.337) 3.262 16.410 ( 3.858 -3.105 0.730) 5.005 16.944 ( 1.178 -0.852 -0.252) 1.475 16.990 ( 0.114 -2.677 0.668) 2.762 17.364 ( -3.498 4.913 -1.088) 6.128 17.683 ( -6.831 -10.162 -1.087) 12.292 17.850 ( -5.135 9.466 0.921) 10.809 18.060 ( -0.561 -2.014 -3.475) 4.056 18.074 ( -0.837 1.062 0.805) 1.574 18.210 ( -4.105 -4.185 3.746) 6.957 18.920 ( -2.828 0.718 -0.286) 2.932 18.928 ( -3.210 0.496 -0.854) 3.359 19.690 ( 0.853 8.011 0.285) 8.062 19.807 ( -2.890 2.346 1.502) 4.014 19.962 ( -0.561 -6.029 4.371) 7.468 20.028 ( 1.413 -8.523 -6.265) 10.672 21.622 ( -0.650 0.340 -0.146) 0.748 21.627 ( -0.960 0.136 0.126) 0.978 ======================= Grid point 36 (22/110) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 1.227 5.268 5.618) 7.799 0.843 ( 0.110 -0.290 -4.379) 4.390 1.019 ( -1.155 2.115 -0.368) 2.438 1.088 ( -4.275 0.333 -3.429) 5.490 1.133 ( -1.804 -7.953 1.518) 8.296 1.209 ( -1.552 -3.426 -6.543) 7.547 1.234 ( 4.207 0.921 6.185) 7.537 1.338 ( -0.477 2.551 1.746) 3.128 1.427 ( 0.327 -1.010 3.956) 4.096 1.508 ( 1.858 2.176 -7.021) 7.581 1.584 ( -0.879 -1.530 -2.304) 2.903 1.651 ( 6.709 5.875 1.452) 9.035 1.702 ( 3.374 -5.533 3.430) 7.332 1.828 ( 2.913 -0.275 3.025) 4.209 1.847 ( 5.109 -0.088 0.573) 5.142 1.942 ( 4.105 -3.963 -2.558) 6.253 2.008 ( -1.578 -3.419 -3.177) 4.927 2.023 ( 0.742 -4.939 0.129) 4.996 2.105 ( -1.318 2.480 0.986) 2.976 2.168 ( -2.442 -0.207 -0.381) 2.480 2.177 ( 0.983 3.711 -0.071) 3.839 2.297 ( -1.577 -1.277 0.587) 2.112 2.306 ( -2.538 1.634 0.916) 3.155 2.357 ( -5.570 -0.254 -0.142) 5.578 3.494 ( -0.641 1.428 0.038) 1.566 3.525 ( -1.105 0.200 0.015) 1.123 3.726 ( 0.694 1.456 -0.025) 1.613 3.751 ( 0.287 0.481 -0.089) 0.567 4.789 ( -0.315 0.421 -0.237) 0.577 4.795 ( -0.467 0.182 0.266) 0.567 5.193 ( -0.430 0.021 -0.028) 0.431 5.207 ( -0.697 -0.611 0.061) 0.929 6.702 ( -0.488 0.911 -0.058) 1.035 6.735 ( -0.751 -0.414 0.137) 0.869 6.922 ( 0.055 -0.071 0.213) 0.232 6.929 ( -0.215 -0.283 -0.307) 0.470 7.112 ( -0.556 0.145 -0.018) 0.575 7.128 ( -0.563 -0.559 0.054) 0.795 7.678 ( 0.146 0.214 -0.230) 0.346 7.682 ( -0.025 0.060 0.209) 0.219 8.111 ( -0.582 0.224 0.007) 0.624 8.115 ( -0.567 0.060 -0.016) 0.571 8.402 ( 0.978 -0.058 0.017) 0.980 8.427 ( 0.758 -1.139 -0.061) 1.370 8.926 ( 1.554 1.121 -0.038) 1.916 8.963 ( 1.410 -0.919 0.097) 1.686 9.633 ( -0.315 0.788 0.195) 0.870 9.642 ( -0.328 0.410 -0.137) 0.543 10.145 ( -1.255 3.470 0.115) 3.692 10.304 ( -2.905 -4.374 -0.178) 5.254 10.785 ( -0.409 0.195 0.084) 0.460 10.804 ( -0.836 -0.433 0.138) 0.951 10.885 ( -0.044 0.489 -0.706) 0.860 10.928 ( -0.929 0.812 0.341) 1.281 10.934 ( -0.282 -1.128 0.094) 1.166 10.948 ( -0.704 -0.186 0.269) 0.777 12.429 ( -0.586 1.586 -0.342) 1.725 12.481 ( -1.193 -0.519 0.257) 1.327 13.081 ( -0.458 1.649 0.001) 1.711 13.113 ( -1.476 0.266 -0.025) 1.500 14.409 ( 0.600 1.673 -0.074) 1.779 14.453 ( 0.107 -0.328 0.149) 0.376 15.090 ( 0.585 4.207 0.234) 4.254 15.178 ( 0.664 0.031 0.709) 0.972 15.842 ( 4.259 3.243 0.438) 5.371 15.969 ( 4.814 -3.137 -1.018) 5.835 16.363 ( 2.573 2.414 -0.028) 3.528 16.485 ( 3.569 -3.268 0.750) 4.897 16.973 ( 1.839 -0.481 -0.812) 2.067 17.005 ( 1.337 -1.869 0.682) 2.397 17.293 ( -3.286 3.365 -0.647) 4.748 17.535 ( -8.000 -8.073 -1.037) 11.412 17.741 ( -6.004 8.782 0.587) 10.654 17.980 ( -7.601 -2.457 -2.308) 8.315 18.068 ( -0.071 0.858 0.242) 0.894 18.135 ( -2.807 -1.814 2.914) 4.434 18.863 ( -2.881 0.606 0.033) 2.944 18.865 ( -2.861 0.532 -0.544) 2.961 19.690 ( -1.154 3.841 -0.420) 4.033 19.748 ( -3.560 1.085 1.187) 3.906 19.982 ( 3.625 -2.821 1.463) 4.821 20.104 ( 5.351 -8.483 -2.260) 10.281 21.604 ( -1.207 0.222 -0.148) 1.236 21.605 ( -1.192 0.193 0.119) 1.213 ======================= Grid point 37 (23/110) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 3.894 0.401 4.341) 5.846 0.843 ( 0.751 -4.234 -1.146) 4.450 0.967 ( -4.816 0.903 -5.297) 7.216 0.989 ( -2.574 -2.787 -1.920) 4.252 1.102 ( -4.167 -4.707 0.238) 6.291 1.145 ( 0.453 -6.642 -2.199) 7.011 1.311 ( -0.591 -1.008 0.620) 1.322 1.385 ( 3.454 -3.453 4.300) 6.507 1.449 ( 0.778 3.775 0.827) 3.942 1.555 ( 4.626 2.339 -1.185) 5.317 1.577 ( 1.840 0.305 -0.067) 1.866 1.737 ( 1.370 -0.509 -0.121) 1.466 1.763 ( 2.804 -0.204 1.557) 3.214 1.884 ( 1.632 -0.484 4.386) 4.705 1.923 ( -2.532 -1.673 -1.161) 3.249 1.952 ( 1.076 -1.823 -0.763) 2.251 1.990 ( 1.079 -0.123 -3.706) 3.862 2.025 ( 0.777 -0.968 -2.813) 3.074 2.076 ( -1.514 0.251 2.978) 3.350 2.121 ( -1.496 -0.894 -0.017) 1.743 2.205 ( 0.964 2.525 -1.138) 2.933 2.257 ( -1.811 1.543 0.724) 2.487 2.277 ( -2.762 -0.396 0.416) 2.821 2.299 ( 0.514 -1.196 0.088) 1.305 3.485 ( -0.255 1.097 0.034) 1.127 3.504 ( -0.998 0.358 -0.007) 1.060 3.739 ( 0.535 1.376 0.010) 1.476 3.755 ( 0.115 0.771 -0.047) 0.781 4.784 ( -0.137 0.336 -0.171) 0.401 4.790 ( -0.202 0.160 0.172) 0.310 5.187 ( -0.191 -0.088 -0.028) 0.212 5.195 ( -0.508 -0.493 0.055) 0.710 6.697 ( -0.076 0.487 -0.094) 0.502 6.721 ( -0.716 -0.516 0.142) 0.894 6.923 ( 0.048 -0.231 0.141) 0.275 6.925 ( -0.103 -0.258 -0.209) 0.347 7.104 ( -0.310 0.286 -0.008) 0.422 7.120 ( -0.330 -0.413 0.016) 0.529 7.680 ( 0.112 0.216 -0.140) 0.281 7.683 ( 0.053 0.094 0.133) 0.171 8.102 ( -0.333 0.237 0.010) 0.409 8.105 ( -0.391 0.105 -0.018) 0.406 8.420 ( 0.830 -0.268 0.022) 0.872 8.436 ( 0.212 -0.987 -0.045) 1.010 8.950 ( 0.884 1.049 0.007) 1.372 8.982 ( 0.549 -0.605 0.017) 0.817 9.629 ( -0.128 0.796 0.117) 0.815 9.637 ( -0.159 0.462 -0.081) 0.495 10.125 ( -0.794 3.141 0.029) 3.240 10.258 ( -1.689 -3.525 -0.054) 3.909 10.781 ( -0.056 0.003 0.057) 0.080 10.792 ( -0.511 -0.314 0.111) 0.610 10.884 ( 0.077 0.458 -0.500) 0.683 10.912 ( -0.728 0.858 0.329) 1.172 10.929 ( -0.309 -0.142 0.221) 0.406 10.938 ( -0.336 -1.079 -0.077) 1.133 12.425 ( 0.192 1.387 -0.323) 1.437 12.460 ( -0.980 -0.102 0.269) 1.022 13.074 ( -0.244 1.191 -0.019) 1.216 13.088 ( -1.022 0.603 0.000) 1.187 14.417 ( 0.284 1.350 -0.087) 1.383 14.455 ( 0.053 -0.313 0.093) 0.331 15.101 ( 0.450 4.472 0.167) 4.498 15.187 ( 0.206 0.499 0.340) 0.638 15.914 ( 2.887 2.427 0.266) 3.781 16.046 ( 3.168 -4.674 -0.658) 5.684 16.404 ( 1.537 2.942 0.139) 3.323 16.544 ( 2.224 -3.240 0.439) 3.955 17.004 ( 1.510 0.382 -0.975) 1.837 17.039 ( 1.604 -1.005 0.412) 1.937 17.248 ( -1.179 1.568 -0.019) 1.962 17.392 ( -5.971 -5.407 -0.711) 8.086 17.645 ( -3.368 5.882 0.175) 6.780 17.804 ( -8.794 -1.543 -0.217) 8.931 18.068 ( 0.016 0.819 0.049) 0.820 18.113 ( -0.585 -1.109 0.860) 1.520 18.819 ( -1.566 0.421 -0.155) 1.629 18.822 ( -1.567 0.384 -0.007) 1.613 19.663 ( -1.127 1.540 -0.161) 1.915 19.688 ( -2.522 0.469 0.257) 2.579 20.070 ( 3.985 -1.358 0.976) 4.322 20.190 ( 3.518 -7.691 -1.086) 8.527 21.582 ( -0.885 0.166 -0.012) 0.901 21.584 ( -0.915 0.053 -0.008) 0.916 ======================= Grid point 38 (24/110) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 -1.171 -0.000) 1.171 0.874 ( 0.000 -5.393 0.000) 5.393 0.910 ( 0.000 -3.961 0.000) 3.961 0.918 ( -0.000 1.245 -0.000) 1.245 1.057 ( 0.000 -5.071 -0.000) 5.071 1.154 ( 0.000 -7.599 0.000) 7.599 1.302 ( 0.000 -0.299 -0.000) 0.299 1.416 ( 0.000 -4.532 0.000) 4.532 1.449 ( 0.000 3.263 -0.000) 3.263 1.567 ( 0.000 -1.976 -0.000) 1.976 1.717 ( -0.000 2.336 -0.000) 2.336 1.746 ( -0.000 0.028 -0.000) 0.028 1.788 ( -0.000 0.990 0.000) 0.990 1.793 ( 0.000 0.751 -0.000) 0.751 1.912 ( -0.000 0.741 -0.000) 0.741 1.966 ( 0.000 -1.991 0.000) 1.991 2.025 ( -0.000 0.326 0.000) 0.326 2.033 ( 0.000 -1.330 -0.000) 1.330 2.068 ( -0.000 0.441 -0.000) 0.441 2.101 ( 0.000 -2.023 0.000) 2.023 2.215 ( -0.000 1.817 0.000) 1.817 2.226 ( 0.000 1.264 -0.000) 1.264 2.258 ( -0.000 0.156 -0.000) 0.156 2.308 ( 0.000 -1.380 -0.000) 1.380 3.485 ( -0.000 0.847 -0.000) 0.847 3.492 ( 0.000 0.535 -0.000) 0.535 3.744 ( 0.000 1.313 0.000) 1.313 3.756 ( 0.000 0.929 -0.000) 0.929 4.783 ( 0.000 0.310 -0.000) 0.310 4.788 ( 0.000 0.151 0.000) 0.151 5.186 ( 0.000 -0.147 -0.000) 0.147 5.190 ( 0.000 -0.427 -0.000) 0.427 6.697 ( 0.000 0.245 0.000) 0.245 6.713 ( 0.000 -0.494 0.000) 0.494 6.924 ( 0.000 -0.236 -0.000) 0.236 6.924 ( 0.000 -0.283 0.000) 0.283 7.101 ( 0.000 0.338 0.000) 0.338 7.116 ( 0.000 -0.361 0.000) 0.361 7.681 ( 0.000 0.214 0.000) 0.214 7.683 ( 0.000 0.102 -0.000) 0.102 8.099 ( 0.000 0.223 0.000) 0.223 8.101 ( 0.000 0.140 -0.000) 0.140 8.430 ( -0.000 -0.485 0.000) 0.485 8.436 ( 0.000 -0.791 -0.000) 0.791 8.959 ( 0.000 0.992 -0.000) 0.992 8.986 ( 0.000 -0.426 0.000) 0.426 9.628 ( 0.000 0.803 -0.000) 0.803 9.636 ( 0.000 0.490 -0.000) 0.490 10.117 ( 0.000 3.021 -0.000) 3.021 10.241 ( 0.000 -3.246 -0.000) 3.246 10.782 ( 0.000 -0.092 0.000) 0.092 10.786 ( -0.000 -0.257 0.000) 0.257 10.885 ( 0.000 0.466 0.000) 0.466 10.904 ( -0.000 0.848 0.000) 0.848 10.925 ( -0.000 0.356 -0.000) 0.356 10.935 ( 0.000 -1.530 -0.000) 1.530 12.429 ( -0.000 1.197 0.000) 1.197 12.449 ( 0.000 0.194 -0.000) 0.194 13.073 ( 0.000 0.911 -0.000) 0.911 13.076 ( -0.000 0.792 0.000) 0.792 14.420 ( 0.000 1.236 0.000) 1.236 14.456 ( 0.000 -0.318 -0.000) 0.318 15.106 ( 0.000 4.536 0.000) 4.536 15.189 ( 0.000 0.716 0.000) 0.716 15.944 ( 0.000 2.085 0.000) 2.085 16.077 ( 0.000 -5.251 -0.000) 5.251 16.419 ( 0.000 3.163 0.000) 3.163 16.567 ( 0.000 -3.182 -0.000) 3.182 17.020 ( 0.000 0.384 0.000) 0.384 17.056 ( 0.000 -0.608 0.000) 0.608 17.239 ( 0.000 1.127 -0.000) 1.127 17.329 ( -0.000 -3.659 0.000) 3.659 17.624 ( 0.000 3.475 0.000) 3.475 17.698 ( -0.000 -0.726 -0.000) 0.726 18.069 ( -0.000 0.822 -0.000) 0.822 18.109 ( 0.000 -0.989 0.000) 0.989 18.803 ( 0.000 0.326 0.000) 0.326 18.806 ( 0.000 0.310 0.000) 0.310 19.654 ( 0.000 0.925 -0.000) 0.925 19.661 ( -0.000 0.521 0.000) 0.521 20.113 ( 0.000 -1.173 0.000) 1.173 20.224 ( 0.000 -7.329 -0.000) 7.329 21.574 ( 0.000 0.073 -0.000) 0.073 21.574 ( -0.000 0.039 -0.000) 0.039 ======================= Grid point 44 (25/110) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 -11.036 0.000) 11.036 0.936 ( 0.000 11.036 0.000) 11.036 1.141 ( 0.000 -5.142 0.000) 5.142 1.141 ( 0.000 5.142 0.000) 5.142 1.200 ( 0.000 -3.099 0.000) 3.099 1.200 ( 0.000 3.099 0.000) 3.099 1.288 ( 0.000 -0.718 0.000) 0.718 1.288 ( 0.000 0.718 0.000) 0.718 1.403 ( 0.000 -8.626 0.000) 8.626 1.403 ( 0.000 8.626 0.000) 8.626 1.451 ( 0.000 -0.403 0.000) 0.403 1.451 ( 0.000 0.403 0.000) 0.403 1.671 ( 0.000 -1.098 0.000) 1.098 1.671 ( 0.000 1.098 0.000) 1.098 1.708 ( 0.000 -2.079 0.000) 2.079 1.708 ( 0.000 2.079 0.000) 2.079 1.928 ( 0.000 -4.025 0.000) 4.025 1.928 ( 0.000 4.025 0.000) 4.025 2.116 ( 0.000 -0.079 0.000) 0.079 2.116 ( 0.000 0.079 0.000) 0.079 2.330 ( 0.000 -3.118 0.000) 3.118 2.330 ( 0.000 3.118 0.000) 3.118 2.552 ( 0.000 -7.132 0.000) 7.132 2.552 ( 0.000 7.132 0.000) 7.132 3.545 ( 0.000 -0.089 0.000) 0.089 3.545 ( 0.000 0.089 0.000) 0.089 3.730 ( 0.000 -0.551 0.000) 0.551 3.730 ( 0.000 0.551 0.000) 0.551 4.821 ( 0.000 -0.102 0.000) 0.102 4.821 ( 0.000 0.102 0.000) 0.102 5.220 ( 0.000 -0.499 0.000) 0.499 5.220 ( 0.000 0.499 0.000) 0.499 6.751 ( 0.000 -0.182 0.000) 0.182 6.751 ( 0.000 0.182 0.000) 0.182 6.935 ( 0.000 -0.647 0.000) 0.647 6.935 ( 0.000 0.647 0.000) 0.647 7.139 ( 0.000 -0.238 0.000) 0.238 7.139 ( 0.000 0.238 0.000) 0.238 7.684 ( 0.000 -0.070 0.000) 0.070 7.684 ( 0.000 0.070 0.000) 0.070 8.137 ( 0.000 -0.032 0.000) 0.032 8.137 ( 0.000 0.032 0.000) 0.032 8.371 ( 0.000 -0.307 0.000) 0.307 8.371 ( 0.000 0.307 0.000) 0.307 8.861 ( 0.000 -0.046 0.000) 0.046 8.861 ( 0.000 0.046 0.000) 0.046 9.663 ( 0.000 -0.211 0.000) 0.211 9.663 ( 0.000 0.211 0.000) 0.211 10.300 ( 0.000 -6.409 0.000) 6.409 10.300 ( 0.000 6.409 0.000) 6.409 10.828 ( 0.000 -0.821 0.000) 0.821 10.828 ( 0.000 0.821 0.000) 0.821 10.932 ( 0.000 -0.058 0.000) 0.058 10.932 ( 0.000 0.058 0.000) 0.058 10.951 ( 0.000 -1.089 0.000) 1.089 10.951 ( 0.000 1.089 0.000) 1.089 12.523 ( 0.000 -0.035 0.000) 0.035 12.523 ( 0.000 0.035 0.000) 0.035 13.134 ( 0.000 -1.387 0.000) 1.387 13.134 ( 0.000 1.387 0.000) 1.387 14.418 ( 0.000 -1.902 0.000) 1.902 14.418 ( 0.000 1.902 0.000) 1.902 15.118 ( 0.000 -1.081 0.000) 1.081 15.118 ( 0.000 1.081 0.000) 1.081 15.759 ( 0.000 -1.451 0.000) 1.451 15.759 ( 0.000 1.451 0.000) 1.451 16.274 ( 0.000 -1.792 0.000) 1.792 16.274 ( 0.000 1.792 0.000) 1.792 16.943 ( 0.000 -1.991 0.000) 1.991 16.943 ( 0.000 1.991 0.000) 1.991 17.603 ( 0.000 -10.391 0.000) 10.391 17.603 ( 0.000 10.391 0.000) 10.391 18.028 ( 0.000 -1.950 0.000) 1.950 18.028 ( 0.000 1.950 0.000) 1.950 18.140 ( 0.000 -1.591 0.000) 1.591 18.140 ( 0.000 1.591 0.000) 1.591 18.998 ( 0.000 -0.916 0.000) 0.916 18.998 ( 0.000 0.916 0.000) 0.916 19.791 ( 0.000 -5.071 0.000) 5.071 19.791 ( 0.000 5.071 0.000) 5.071 20.018 ( 0.000 -6.807 0.000) 6.807 20.018 ( 0.000 6.807 0.000) 6.807 21.637 ( 0.000 -0.282 0.000) 0.282 21.637 ( 0.000 0.282 0.000) 0.282 ======================= Grid point 46 (26/110) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.340 -10.925 0.241) 10.933 0.934 ( -0.340 10.925 0.241) 10.933 1.105 ( -2.684 -8.908 -3.884) 10.082 1.105 ( -2.684 8.908 -3.884) 10.082 1.197 ( -0.511 -1.011 -1.898) 2.210 1.197 ( -0.511 1.011 -1.898) 2.210 1.294 ( -0.314 -5.535 8.299) 9.980 1.294 ( -0.314 5.535 8.299) 9.980 1.415 ( 1.844 -6.685 1.820) 7.170 1.415 ( 1.844 6.685 1.820) 7.170 1.518 ( 5.399 -2.709 -1.613) 6.252 1.518 ( 5.399 2.709 -1.613) 6.252 1.640 ( -2.860 -2.725 -1.658) 4.284 1.640 ( -2.860 2.725 -1.658) 4.284 1.722 ( 2.628 -3.509 -0.850) 4.466 1.722 ( 2.628 3.509 -0.850) 4.466 1.944 ( 1.353 -4.466 -1.938) 5.053 1.944 ( 1.353 4.466 -1.938) 5.053 2.132 ( 1.349 -2.437 0.696) 2.871 2.132 ( 1.349 2.437 0.696) 2.871 2.318 ( -1.416 -3.494 0.894) 3.875 2.318 ( -1.416 3.494 0.894) 3.875 2.513 ( -3.736 -6.370 -0.124) 7.385 2.513 ( -3.736 6.370 -0.124) 7.386 3.543 ( -0.263 -0.638 0.016) 0.690 3.543 ( -0.263 0.638 0.016) 0.690 3.732 ( 0.217 -0.716 -0.076) 0.752 3.732 ( 0.217 0.716 -0.076) 0.752 4.816 ( -0.453 -0.226 0.018) 0.507 4.816 ( -0.453 0.226 0.018) 0.507 5.217 ( -0.336 -0.505 0.003) 0.607 5.217 ( -0.336 0.505 0.003) 0.607 6.747 ( -0.405 -0.571 0.029) 0.701 6.747 ( -0.405 0.571 0.029) 0.701 6.932 ( -0.222 -0.592 0.018) 0.633 6.932 ( -0.222 0.592 0.018) 0.633 7.136 ( -0.328 -0.333 0.020) 0.468 7.136 ( -0.328 0.333 0.020) 0.468 7.683 ( -0.111 -0.193 -0.040) 0.226 7.683 ( -0.111 0.193 -0.040) 0.226 8.134 ( -0.304 -0.042 0.008) 0.307 8.134 ( -0.304 0.042 0.008) 0.307 8.377 ( 0.556 -0.485 -0.031) 0.738 8.377 ( 0.556 0.485 -0.031) 0.738 8.876 ( 1.489 -0.415 0.060) 1.547 8.876 ( 1.489 0.415 0.060) 1.547 9.660 ( -0.360 -0.242 0.024) 0.434 9.660 ( -0.360 0.242 0.024) 0.434 10.288 ( -1.210 -6.034 0.033) 6.154 10.288 ( -1.210 6.034 0.033) 6.154 10.822 ( -0.596 -0.824 -0.067) 1.019 10.822 ( -0.596 0.824 -0.067) 1.019 10.923 ( -0.639 -1.077 -0.462) 1.335 10.923 ( -0.639 1.077 -0.462) 1.335 10.956 ( 0.142 -0.771 0.442) 0.900 10.956 ( 0.142 0.771 0.442) 0.900 12.509 ( -1.282 -0.978 0.020) 1.612 12.509 ( -1.282 0.978 0.020) 1.612 13.133 ( -0.221 -1.482 -0.005) 1.498 13.133 ( -0.221 1.482 -0.005) 1.498 14.422 ( 0.396 -1.790 0.104) 1.837 14.422 ( 0.396 1.790 0.104) 1.837 15.123 ( 0.444 -1.481 0.319) 1.578 15.123 ( 0.444 1.481 0.319) 1.578 15.779 ( 2.102 -2.301 -0.027) 3.117 15.779 ( 2.102 2.301 -0.027) 3.117 16.297 ( 2.278 -2.053 -0.117) 3.069 16.297 ( 2.278 2.053 -0.117) 3.069 16.943 ( -0.012 -1.800 0.348) 1.833 16.943 ( -0.012 1.800 0.348) 1.833 17.574 ( -2.845 -9.920 -0.625) 10.339 17.574 ( -2.845 9.920 -0.625) 10.339 18.026 ( -0.203 -2.818 -1.253) 3.091 18.026 ( -0.203 2.818 -1.253) 3.091 18.139 ( -0.577 -3.914 1.830) 4.359 18.139 ( -0.577 3.914 1.830) 4.359 18.980 ( -1.782 -0.681 -0.511) 1.975 18.980 ( -1.782 0.681 -0.511) 1.975 19.805 ( 1.456 -5.398 1.301) 5.740 19.805 ( 1.456 5.398 1.301) 5.740 19.968 ( -4.565 -6.213 -1.291) 7.817 19.968 ( -4.565 6.213 -1.291) 7.817 21.636 ( -0.183 -0.263 0.029) 0.322 21.636 ( -0.183 0.263 0.029) 0.322 ======================= Grid point 48 (27/110) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -3.119 -7.927 1.952) 8.739 0.909 ( -3.119 7.927 1.952) 8.739 1.047 ( -1.798 -6.578 -2.612) 7.302 1.047 ( -1.798 6.578 -2.612) 7.302 1.176 ( -0.760 -4.524 -4.138) 6.178 1.176 ( -0.760 4.524 -4.138) 6.178 1.302 ( -1.494 -7.034 8.234) 10.932 1.302 ( -1.494 7.034 8.234) 10.932 1.466 ( 2.919 -8.682 1.930) 9.361 1.466 ( 2.919 8.682 1.930) 9.361 1.565 ( -0.181 -2.873 -7.471) 8.006 1.565 ( -0.181 2.873 -7.471) 8.006 1.659 ( 5.682 -6.605 3.541) 9.405 1.659 ( 5.682 6.605 3.541) 9.405 1.791 ( 4.233 -2.982 -0.498) 5.202 1.791 ( 4.233 2.982 -0.498) 5.202 1.963 ( 1.203 -2.820 -2.488) 3.948 1.963 ( 1.203 2.820 -2.488) 3.948 2.155 ( 0.580 -2.545 0.607) 2.680 2.155 ( 0.580 2.545 0.607) 2.680 2.281 ( -2.384 -3.903 1.216) 4.732 2.281 ( -2.384 3.903 1.216) 4.732 2.426 ( -4.770 -4.117 -0.188) 6.304 2.426 ( -4.770 4.117 -0.188) 6.304 3.534 ( -0.681 -0.968 0.030) 1.184 3.534 ( -0.681 0.968 0.030) 1.184 3.739 ( 0.452 -0.851 -0.094) 0.968 3.739 ( 0.452 0.851 -0.094) 0.968 4.805 ( -0.593 -0.246 0.025) 0.643 4.805 ( -0.593 0.246 0.025) 0.643 5.208 ( -0.556 -0.481 0.009) 0.735 5.208 ( -0.556 0.481 0.009) 0.735 6.736 ( -0.710 -0.911 0.052) 1.156 6.736 ( -0.710 0.911 0.052) 1.156 6.927 ( -0.251 -0.432 -0.013) 0.499 6.927 ( -0.251 0.432 -0.013) 0.499 7.128 ( -0.499 -0.431 0.028) 0.660 7.128 ( -0.499 0.431 0.028) 0.660 7.681 ( -0.036 -0.197 -0.048) 0.206 7.681 ( -0.036 0.197 -0.048) 0.206 8.125 ( -0.530 -0.074 0.005) 0.535 8.125 ( -0.530 0.074 0.005) 0.535 8.391 ( 0.882 -0.695 -0.044) 1.123 8.391 ( 0.882 0.695 -0.044) 1.123 8.911 ( 1.946 -0.804 0.077) 2.107 8.911 ( 1.946 0.804 0.077) 2.107 9.651 ( -0.453 -0.275 0.042) 0.532 9.651 ( -0.453 0.275 0.042) 0.532 10.257 ( -1.912 -5.133 0.021) 5.478 10.257 ( -1.912 5.133 0.021) 5.478 10.808 ( -0.808 -0.761 -0.030) 1.111 10.808 ( -0.808 0.761 -0.030) 1.111 10.911 ( -0.391 -1.404 -0.502) 1.542 10.911 ( -0.391 1.404 -0.502) 1.542 10.954 ( -0.468 -0.556 0.473) 0.867 10.954 ( -0.468 0.556 0.473) 0.867 12.482 ( -1.382 -1.530 0.011) 2.062 12.482 ( -1.382 1.530 0.011) 2.062 13.124 ( -0.715 -1.343 -0.020) 1.522 13.124 ( -0.715 1.343 -0.020) 1.522 14.431 ( 0.437 -1.509 0.070) 1.572 14.431 ( 0.437 1.509 0.070) 1.572 15.136 ( 0.839 -2.058 0.531) 2.285 15.136 ( 0.839 2.058 0.531) 2.285 15.835 ( 3.565 -3.137 -0.211) 4.753 15.835 ( 3.565 3.137 -0.211) 4.753 16.353 ( 3.407 -2.648 0.017) 4.316 16.353 ( 3.407 2.648 0.017) 4.316 16.950 ( 0.779 -1.349 0.438) 1.619 16.950 ( 0.779 1.349 0.438) 1.619 17.495 ( -4.980 -8.581 -0.984) 9.970 17.495 ( -4.980 8.581 -0.984) 9.970 17.999 ( -2.862 -5.208 -1.727) 6.188 17.999 ( -2.862 5.208 -1.727) 6.188 18.117 ( -1.974 -3.965 2.491) 5.082 18.117 ( -1.974 3.965 2.491) 5.082 18.930 ( -3.053 -0.282 -0.552) 3.115 18.930 ( -3.053 0.282 -0.552) 3.115 19.834 ( -2.849 -4.446 4.428) 6.891 19.834 ( -2.849 4.446 4.428) 6.891 19.891 ( 1.640 -3.178 -4.394) 5.666 19.891 ( 1.640 3.178 -4.394) 5.666 21.627 ( -0.800 -0.162 0.020) 0.817 21.627 ( -0.800 0.162 0.020) 0.817 ======================= Grid point 50 (28/110) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -3.744 -2.709 1.475) 4.851 0.837 ( -3.744 2.709 1.475) 4.851 1.024 ( -0.794 -1.291 -0.203) 1.529 1.025 ( -0.794 1.291 -0.203) 1.529 1.130 ( -3.359 -3.851 -6.290) 8.104 1.130 ( -3.359 3.851 -6.290) 8.104 1.297 ( 0.008 -4.437 6.756) 8.083 1.297 ( 0.008 4.437 6.756) 8.083 1.523 ( 1.317 -5.753 0.442) 5.919 1.523 ( 1.317 5.753 0.442) 5.919 1.567 ( 3.055 -4.773 -3.197) 6.506 1.567 ( 3.055 4.773 -3.197) 6.506 1.776 ( 4.602 -6.419 1.917) 8.127 1.776 ( 4.602 6.419 1.917) 8.127 1.863 ( 3.231 -1.937 0.466) 3.796 1.863 ( 3.231 1.937 0.466) 3.796 1.981 ( 1.429 -1.574 -2.795) 3.511 1.981 ( 1.429 1.574 -2.795) 3.511 2.147 ( -1.807 -1.793 0.742) 2.652 2.147 ( -1.807 1.793 0.742) 2.652 2.249 ( -0.650 -3.332 0.378) 3.415 2.249 ( -0.650 3.332 0.378) 3.415 2.341 ( -3.968 -1.461 0.109) 4.230 2.341 ( -3.968 1.461 0.109) 4.230 3.518 ( -0.924 -0.882 0.026) 1.277 3.518 ( -0.924 0.882 0.026) 1.277 3.748 ( 0.547 -0.721 -0.057) 0.907 3.748 ( 0.547 0.721 -0.057) 0.907 4.795 ( -0.428 -0.191 0.013) 0.469 4.795 ( -0.428 0.191 0.013) 0.469 5.197 ( -0.562 -0.381 0.016) 0.679 5.197 ( -0.562 0.381 0.016) 0.679 6.721 ( -0.776 -0.948 0.051) 1.226 6.721 ( -0.776 0.948 0.051) 1.226 6.923 ( -0.141 -0.221 -0.045) 0.266 6.923 ( -0.141 0.221 -0.045) 0.266 7.118 ( -0.460 -0.458 0.023) 0.649 7.118 ( -0.460 0.458 0.023) 0.649 7.681 ( 0.080 -0.116 -0.035) 0.145 7.681 ( 0.080 0.116 -0.035) 0.145 8.115 ( -0.557 -0.100 -0.002) 0.566 8.115 ( -0.557 0.100 -0.002) 0.566 8.408 ( 0.852 -0.700 -0.035) 1.103 8.408 ( 0.852 0.700 -0.035) 1.103 8.945 ( 1.511 -0.925 0.061) 1.773 8.945 ( 1.511 0.925 0.061) 1.773 9.644 ( -0.312 -0.264 0.046) 0.411 9.644 ( -0.312 0.264 0.046) 0.411 10.220 ( -1.872 -4.166 -0.008) 4.568 10.220 ( -1.872 4.166 -0.008) 4.568 10.794 ( -0.616 -0.590 0.029) 0.854 10.794 ( -0.616 0.590 0.029) 0.854 10.905 ( -0.136 -1.469 -0.441) 1.539 10.905 ( -0.136 1.469 -0.441) 1.539 10.942 ( -0.811 -0.574 0.417) 1.077 10.942 ( -0.811 0.574 0.417) 1.077 12.460 ( -0.842 -1.502 -0.002) 1.722 12.460 ( -0.842 1.502 -0.002) 1.722 13.107 ( -0.966 -0.871 -0.025) 1.301 13.107 ( -0.966 0.871 -0.025) 1.301 14.438 ( 0.273 -1.223 -0.004) 1.253 14.438 ( 0.273 1.223 -0.004) 1.253 15.155 ( 0.847 -2.359 0.534) 2.563 15.155 ( 0.847 2.359 0.534) 2.563 15.908 ( 3.814 -3.337 -0.361) 5.081 15.908 ( 3.814 3.337 -0.361) 5.081 16.419 ( 3.228 -3.321 0.253) 4.638 16.419 ( 3.228 3.321 0.253) 4.638 16.978 ( 2.005 -0.926 0.179) 2.215 16.978 ( 2.005 0.926 0.179) 2.215 17.389 ( -5.457 -6.493 -0.972) 8.537 17.389 ( -5.457 6.493 -0.972) 8.537 17.893 ( -7.486 -6.463 -0.519) 9.904 17.893 ( -7.486 6.463 -0.519) 9.904 18.094 ( -0.773 -1.886 1.248) 2.390 18.094 ( -0.773 1.886 1.248) 2.390 18.869 ( -2.921 -0.064 -0.286) 2.936 18.869 ( -2.921 0.064 -0.286) 2.936 19.750 ( -4.315 -1.518 0.695) 4.627 19.750 ( -4.315 1.518 0.695) 4.627 19.983 ( 6.005 -3.452 -0.690) 6.961 19.983 ( 6.005 3.452 -0.690) 6.961 21.606 ( -1.242 -0.029 0.002) 1.242 21.606 ( -1.242 0.029 0.002) 1.242 ======================= Grid point 52 (29/110) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.160 -0.888 0.915) 1.285 0.803 ( 0.160 0.888 0.915) 1.285 0.989 ( -3.706 -2.049 -1.570) 4.517 0.989 ( -3.706 2.049 -1.570) 4.517 1.048 ( -2.270 -2.247 -1.946) 3.740 1.048 ( -2.270 2.246 -1.946) 3.740 1.323 ( 0.998 -2.239 2.255) 3.330 1.323 ( 0.998 2.239 2.255) 3.330 1.523 ( -0.468 -3.227 -1.482) 3.582 1.523 ( -0.468 3.227 -1.482) 3.582 1.657 ( 5.314 -5.269 2.888) 8.021 1.657 ( 5.314 5.269 2.888) 8.021 1.816 ( 0.075 -4.021 -0.159) 4.025 1.816 ( 0.075 4.021 -0.159) 4.025 1.927 ( 2.082 -1.221 0.044) 2.414 1.927 ( 2.082 1.221 0.044) 2.414 2.005 ( 1.972 -1.281 -3.883) 4.539 2.005 ( 1.972 1.281 -3.883) 4.539 2.099 ( -2.738 -1.407 2.612) 4.037 2.099 ( -2.738 1.407 2.612) 4.037 2.252 ( -0.255 -2.064 -0.717) 2.200 2.252 ( -0.255 2.064 -0.717) 2.200 2.281 ( -1.655 -0.696 0.582) 1.888 2.281 ( -1.655 0.696 0.582) 1.888 3.502 ( -0.665 -0.524 0.014) 0.847 3.502 ( -0.665 0.524 0.014) 0.847 3.758 ( 0.373 -0.475 -0.018) 0.605 3.758 ( 0.373 0.475 -0.018) 0.605 4.789 ( -0.188 -0.173 0.000) 0.256 4.789 ( -0.188 0.173 0.000) 0.256 5.188 ( -0.346 -0.220 0.015) 0.410 5.188 ( -0.346 0.220 0.015) 0.410 6.709 ( -0.509 -0.681 0.030) 0.851 6.709 ( -0.509 0.681 0.030) 0.851 6.922 ( -0.044 -0.062 -0.038) 0.085 6.922 ( -0.044 0.062 -0.038) 0.085 7.111 ( -0.265 -0.450 0.012) 0.523 7.111 ( -0.265 0.450 0.012) 0.523 7.683 ( 0.088 -0.075 -0.017) 0.117 7.683 ( 0.088 0.075 -0.017) 0.117 8.106 ( -0.351 -0.088 -0.004) 0.362 8.106 ( -0.351 0.088 -0.004) 0.362 8.422 ( 0.512 -0.456 -0.019) 0.686 8.422 ( 0.512 0.456 -0.019) 0.686 8.967 ( 0.766 -0.816 0.032) 1.120 8.967 ( 0.766 0.816 0.032) 1.120 9.640 ( -0.129 -0.230 0.030) 0.266 9.640 ( -0.129 0.230 0.030) 0.266 10.190 ( -1.146 -3.485 -0.016) 3.668 10.190 ( -1.146 3.485 -0.016) 3.668 10.785 ( -0.295 -0.339 0.038) 0.451 10.785 ( -0.295 0.339 0.038) 0.451 10.903 ( 0.022 -1.432 -0.312) 1.466 10.903 ( 0.022 1.432 -0.312) 1.466 10.928 ( -0.648 -0.647 0.299) 0.963 10.928 ( -0.648 0.647 0.299) 0.963 12.449 ( -0.347 -1.007 -0.002) 1.065 12.449 ( -0.347 1.007 -0.002) 1.065 13.090 ( -0.670 -0.386 -0.017) 0.774 13.090 ( -0.670 0.386 -0.017) 0.774 14.442 ( 0.117 -1.058 -0.024) 1.065 14.442 ( 0.117 1.058 -0.024) 1.065 15.169 ( 0.475 -2.348 0.320) 2.417 15.169 ( 0.475 2.348 0.320) 2.417 15.970 ( 2.549 -3.325 -0.261) 4.198 15.970 ( 2.549 3.325 -0.261) 4.198 16.472 ( 1.999 -3.903 0.277) 4.394 16.472 ( 1.999 3.903 0.277) 4.394 17.019 ( 1.932 -1.002 -0.242) 2.190 17.019 ( 1.932 1.002 -0.242) 2.190 17.300 ( -3.220 -3.826 -0.417) 5.018 17.300 ( -3.220 3.826 -0.417) 5.018 17.746 ( -6.716 -4.328 0.073) 7.990 17.746 ( -6.716 4.328 0.073) 7.990 18.088 ( -0.175 -1.234 0.414) 1.313 18.088 ( -0.175 1.234 0.414) 1.313 18.824 ( -1.637 -0.111 -0.097) 1.644 18.824 ( -1.637 0.111 -0.097) 1.644 19.687 ( -2.265 -0.724 0.159) 2.383 19.687 ( -2.265 0.724 0.159) 2.383 20.084 ( 4.109 -3.055 -0.169) 5.123 20.084 ( 4.109 3.055 -0.169) 5.123 21.584 ( -0.950 -0.068 -0.003) 0.952 21.584 ( -0.950 0.068 -0.003) 0.952 ======================= Grid point 54 (30/110) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.000 -0.649 -0.000) 0.649 0.824 ( -0.000 0.649 -0.000) 0.649 0.923 ( 0.000 -2.162 -0.000) 2.162 0.923 ( 0.000 2.162 -0.000) 2.162 1.032 ( 0.000 -3.854 0.000) 3.854 1.032 ( 0.000 3.854 0.000) 3.854 1.336 ( 0.000 -3.309 0.000) 3.309 1.336 ( 0.000 3.309 -0.000) 3.309 1.513 ( 0.000 -3.291 -0.000) 3.291 1.513 ( 0.000 3.291 -0.000) 3.291 1.734 ( 0.000 -0.583 0.000) 0.583 1.734 ( 0.000 0.583 -0.000) 0.583 1.810 ( 0.000 -0.154 0.000) 0.154 1.810 ( 0.000 0.154 0.000) 0.154 1.924 ( 0.000 -1.465 -0.000) 1.465 1.924 ( 0.000 1.465 -0.000) 1.465 2.033 ( 0.000 -0.517 -0.000) 0.517 2.033 ( 0.000 0.517 -0.000) 0.517 2.076 ( -0.000 -0.361 -0.000) 0.361 2.076 ( -0.000 0.361 -0.000) 0.361 2.232 ( 0.000 -0.392 0.000) 0.392 2.232 ( 0.000 0.392 0.000) 0.392 2.279 ( 0.000 -1.472 -0.000) 1.472 2.279 ( 0.000 1.472 -0.000) 1.472 3.495 ( 0.000 -0.203 -0.000) 0.203 3.495 ( 0.000 0.203 -0.000) 0.203 3.761 ( 0.000 -0.343 0.000) 0.343 3.761 ( 0.000 0.343 -0.000) 0.343 4.788 ( 0.000 -0.167 -0.000) 0.167 4.788 ( 0.000 0.167 -0.000) 0.167 5.185 ( 0.000 -0.088 0.000) 0.088 5.185 ( 0.000 0.088 -0.000) 0.088 6.704 ( 0.000 -0.424 -0.000) 0.424 6.704 ( 0.000 0.424 0.000) 0.424 6.921 ( 0.000 -0.005 -0.000) 0.005 6.921 ( 0.000 0.005 0.000) 0.005 7.108 ( 0.000 -0.443 0.000) 0.443 7.108 ( 0.000 0.443 0.000) 0.443 7.684 ( 0.000 -0.070 -0.000) 0.070 7.684 ( 0.000 0.070 -0.000) 0.070 8.102 ( 0.000 -0.062 -0.000) 0.062 8.102 ( 0.000 0.062 0.000) 0.062 8.427 ( 0.000 -0.163 0.000) 0.163 8.427 ( 0.000 0.163 -0.000) 0.163 8.975 ( 0.000 -0.726 -0.000) 0.726 8.975 ( 0.000 0.726 -0.000) 0.726 9.639 ( 0.000 -0.212 0.000) 0.212 9.639 ( 0.000 0.212 -0.000) 0.212 10.179 ( 0.000 -3.244 0.000) 3.244 10.179 ( 0.000 3.244 -0.000) 3.244 10.782 ( 0.000 -0.138 0.000) 0.138 10.782 ( 0.000 0.138 0.000) 0.138 10.904 ( 0.000 -1.381 0.000) 1.381 10.904 ( 0.000 1.381 0.000) 1.381 10.921 ( 0.000 -0.623 -0.000) 0.623 10.921 ( 0.000 0.623 -0.000) 0.623 12.446 ( 0.000 -0.526 -0.000) 0.526 12.446 ( 0.000 0.526 0.000) 0.526 13.083 ( 0.000 -0.103 0.000) 0.103 13.083 ( 0.000 0.103 0.000) 0.103 14.443 ( 0.000 -1.011 -0.000) 1.011 14.443 ( 0.000 1.011 0.000) 1.011 15.174 ( 0.000 -2.277 0.000) 2.277 15.174 ( 0.000 2.277 0.000) 2.277 15.996 ( 0.000 -3.323 -0.000) 3.323 15.996 ( 0.000 3.323 0.000) 3.323 16.492 ( 0.000 -4.153 -0.000) 4.153 16.492 ( 0.000 4.153 0.000) 4.153 17.038 ( 0.000 -1.159 0.000) 1.159 17.038 ( 0.000 1.159 0.000) 1.159 17.270 ( 0.000 -2.258 -0.000) 2.258 17.270 ( 0.000 2.258 0.000) 2.258 17.674 ( 0.000 -1.819 -0.000) 1.819 17.674 ( 0.000 1.819 0.000) 1.819 18.087 ( 0.000 -1.096 0.000) 1.096 18.087 ( 0.000 1.096 -0.000) 1.096 18.808 ( 0.000 -0.110 0.000) 0.110 18.808 ( 0.000 0.110 0.000) 0.110 19.665 ( 0.000 -0.195 0.000) 0.195 19.665 ( 0.000 0.195 0.000) 0.195 20.125 ( 0.000 -2.751 -0.000) 2.751 20.125 ( 0.000 2.751 0.000) 2.751 21.574 ( 0.000 -0.007 0.000) 0.007 21.574 ( 0.000 0.007 -0.000) 0.007 ======================= Grid point 99 (31/110) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 8.780 0.000 9.129) 12.666 0.281 ( -4.901 0.000 15.504) 16.260 0.425 ( -3.456 0.000 -4.334) 5.544 0.552 ( 6.427 0.000 30.078) 30.757 0.784 ( 4.605 0.000 -12.008) 12.860 1.118 ( -1.286 0.000 0.191) 1.300 1.123 ( -1.908 0.000 2.752) 3.348 1.321 ( -1.966 0.000 3.386) 3.915 1.382 ( -1.366 0.000 -5.825) 5.983 1.476 ( 0.035 0.000 -8.125) 8.125 1.574 ( -0.462 0.000 0.641) 0.790 1.636 ( -1.323 0.000 -3.443) 3.689 1.662 ( 2.388 0.000 0.422) 2.425 1.703 ( -1.157 0.000 -2.358) 2.627 1.823 ( -3.249 0.000 0.015) 3.249 1.882 ( -0.913 0.000 -5.352) 5.429 2.039 ( 2.100 0.000 2.960) 3.629 2.091 ( 1.435 0.000 -0.805) 1.645 2.121 ( -0.334 0.000 3.466) 3.482 2.145 ( 0.209 0.000 1.822) 1.834 2.231 ( 0.910 0.000 -2.405) 2.571 2.259 ( -1.819 0.000 -2.462) 3.061 2.578 ( 0.329 0.000 11.279) 11.284 2.901 ( 6.001 0.000 -5.113) 7.884 3.465 ( -0.372 0.000 0.245) 0.445 3.478 ( 0.086 0.000 -0.320) 0.331 3.671 ( -0.170 0.000 0.442) 0.473 3.692 ( 0.916 0.000 -0.485) 1.036 4.770 ( -0.216 0.000 0.283) 0.356 4.783 ( -0.040 0.000 -0.333) 0.335 5.223 ( -0.189 0.000 0.744) 0.768 5.255 ( 0.165 0.000 -0.700) 0.719 6.686 ( 0.338 0.000 0.769) 0.840 6.720 ( -0.324 0.000 -0.720) 0.789 6.930 ( 0.214 0.000 0.104) 0.238 6.934 ( -0.212 0.000 -0.101) 0.234 7.164 ( 0.229 0.000 0.404) 0.465 7.182 ( -0.460 0.000 -0.405) 0.613 7.680 ( -0.330 0.000 0.628) 0.709 7.706 ( 0.330 0.000 -0.499) 0.598 8.131 ( -0.045 0.000 0.090) 0.100 8.138 ( 0.040 0.000 -0.248) 0.251 8.405 ( 0.022 0.000 0.283) 0.284 8.419 ( -0.015 0.000 -0.351) 0.351 8.778 ( -0.638 0.000 0.290) 0.701 8.790 ( 0.559 0.000 -0.232) 0.605 9.618 ( 0.106 0.000 0.232) 0.255 9.626 ( -0.325 0.000 -0.115) 0.345 10.603 ( 2.874 0.000 0.595) 2.935 10.632 ( -16.205 0.000 -0.710) 16.220 10.860 ( -0.251 0.000 0.379) 0.454 10.862 ( 0.364 0.000 0.330) 0.491 10.878 ( 0.036 0.000 -0.034) 0.050 10.886 ( -0.356 0.000 -0.369) 0.513 11.000 ( 6.057 0.000 -0.135) 6.058 11.001 ( -1.055 0.000 -0.150) 1.066 12.486 ( 0.584 0.000 0.214) 0.622 12.495 ( -0.556 0.000 -0.183) 0.585 13.059 ( -1.121 0.000 0.105) 1.125 13.063 ( 6.467 0.000 -0.100) 6.468 14.283 ( 0.349 0.000 2.062) 2.091 14.395 ( -0.237 0.000 -3.128) 3.137 14.911 ( 0.067 0.000 3.772) 3.773 15.054 ( -0.033 0.000 -2.745) 2.745 15.557 ( -0.334 0.000 2.542) 2.564 15.692 ( 0.556 0.000 -3.610) 3.652 16.227 ( -0.595 0.000 3.188) 3.243 16.343 ( 0.269 0.000 -2.132) 2.149 17.170 ( -0.650 0.000 1.625) 1.750 17.250 ( 2.899 0.000 -2.156) 3.613 17.310 ( -4.110 0.000 1.614) 4.416 17.367 ( 5.347 0.000 -1.177) 5.475 18.052 ( -0.088 0.000 0.571) 0.577 18.078 ( 0.095 0.000 -0.591) 0.599 18.410 ( -4.811 0.000 0.915) 4.897 18.449 ( 26.138 0.000 -0.817) 26.151 18.911 ( -0.812 0.000 0.718) 1.084 18.943 ( 0.782 0.000 -0.701) 1.050 19.332 ( -0.117 0.000 0.698) 0.708 19.363 ( -0.729 0.000 -0.680) 0.997 20.624 ( 4.903 0.000 0.936) 4.992 20.666 ( -28.872 0.000 -0.922) 28.887 21.610 ( -0.219 0.000 0.145) 0.263 21.616 ( 0.219 0.000 -0.123) 0.251 ======================= Grid point 100 (32/110) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 8.260 0.000 8.435) 11.806 0.370 ( 9.179 0.000 8.741) 12.675 0.497 ( 10.776 0.000 -7.941) 13.386 0.831 ( 13.920 0.000 19.408) 23.884 0.886 ( 8.278 0.000 -6.073) 10.267 1.053 ( -4.330 0.000 -4.450) 6.209 1.149 ( 3.566 0.000 3.599) 5.066 1.289 ( -1.181 0.000 1.087) 1.605 1.360 ( 1.377 0.000 -4.513) 4.719 1.473 ( 0.297 0.000 -8.416) 8.421 1.588 ( 1.686 0.000 -0.305) 1.713 1.613 ( 1.128 0.000 1.172) 1.627 1.674 ( -0.067 0.000 3.582) 3.583 1.744 ( 3.160 0.000 -6.688) 7.397 1.868 ( 1.089 0.000 -0.582) 1.235 1.966 ( 7.594 0.000 -4.874) 9.023 2.043 ( -1.620 0.000 0.974) 1.891 2.089 ( -1.147 0.000 -0.602) 1.296 2.139 ( 0.888 0.000 2.990) 3.119 2.155 ( -0.302 0.000 1.278) 1.313 2.220 ( 0.092 0.000 -5.485) 5.486 2.235 ( 0.161 0.000 -0.396) 0.427 2.554 ( -5.022 0.000 9.280) 10.551 2.826 ( -7.992 0.000 -3.773) 8.837 3.462 ( -0.060 0.000 -0.033) 0.069 3.481 ( 0.132 0.000 0.075) 0.152 3.668 ( -0.183 0.000 0.280) 0.335 3.694 ( -0.303 0.000 -0.464) 0.555 4.768 ( -0.037 0.000 0.114) 0.120 4.787 ( 0.288 0.000 -0.126) 0.314 5.219 ( -0.364 0.000 0.661) 0.754 5.253 ( -0.204 0.000 -0.556) 0.592 6.695 ( 0.458 0.000 0.868) 0.981 6.707 ( -0.722 0.000 -0.974) 1.212 6.929 ( -0.274 0.000 -0.271) 0.386 6.934 ( 0.148 0.000 0.304) 0.338 7.161 ( -0.679 0.000 0.484) 0.834 7.164 ( -0.875 0.000 -0.203) 0.899 7.672 ( -0.176 0.000 -0.034) 0.179 7.697 ( -0.971 0.000 -0.422) 1.059 8.127 ( -0.383 0.000 0.054) 0.387 8.134 ( -0.404 0.000 -0.199) 0.451 8.412 ( 0.663 0.000 0.348) 0.749 8.425 ( 0.721 0.000 -0.390) 0.819 8.792 ( 1.835 0.000 0.504) 1.903 8.884 ( 5.687 0.000 -4.868) 7.486 9.617 ( -0.278 0.000 0.328) 0.430 9.618 ( -0.468 0.000 -0.083) 0.475 10.303 ( -13.684 0.000 13.648) 19.326 10.633 ( -0.488 0.000 2.742) 2.785 10.855 ( -0.968 0.000 0.428) 1.058 10.857 ( -0.183 0.000 0.141) 0.231 10.868 ( -1.401 0.000 -0.460) 1.474 10.879 ( -0.166 0.000 -0.794) 0.811 10.981 ( -0.328 0.000 -1.445) 1.482 10.989 ( -2.425 0.000 2.469) 3.461 12.465 ( -2.254 0.000 -0.789) 2.388 12.485 ( -0.361 0.000 0.298) 0.468 13.035 ( -0.902 0.000 -0.970) 1.325 13.093 ( -1.509 0.000 0.305) 1.539 14.304 ( 1.189 0.000 2.286) 2.577 14.381 ( 0.103 0.000 -2.894) 2.896 14.923 ( -0.037 0.000 4.198) 4.198 15.050 ( 0.321 0.000 -2.963) 2.980 15.594 ( 3.139 0.000 3.017) 4.353 15.755 ( 6.803 0.000 -3.934) 7.858 16.245 ( 1.546 0.000 3.773) 4.078 16.407 ( 4.374 0.000 -5.122) 6.736 17.149 ( -1.306 0.000 0.483) 1.392 17.200 ( -5.089 0.000 -1.155) 5.219 17.322 ( 2.736 0.000 -0.337) 2.757 17.429 ( 0.812 0.000 -0.360) 0.889 18.045 ( -0.946 0.000 0.641) 1.143 18.067 ( -1.403 0.000 -0.744) 1.588 18.280 ( -7.128 0.000 -5.448) 8.972 18.287 ( -20.972 0.000 18.441) 27.926 18.883 ( -1.478 0.000 -0.492) 1.557 18.919 ( -2.398 0.000 -0.021) 2.398 19.426 ( 7.658 0.000 1.407) 7.786 19.732 ( 17.763 0.000 -12.117) 21.502 20.210 ( -9.787 0.000 2.864) 10.197 20.598 ( -7.458 0.000 5.591) 9.321 21.603 ( -0.453 0.000 -0.067) 0.458 21.614 ( -0.448 0.000 0.018) 0.449 ======================= Grid point 101 (33/110) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 12.300 0.000 2.377) 12.528 0.576 ( 10.768 0.000 6.577) 12.617 0.700 ( 10.230 0.000 -12.841) 16.418 1.007 ( 2.602 0.000 -2.072) 3.326 1.024 ( 8.243 0.000 -5.211) 9.752 1.136 ( 11.388 0.000 9.861) 15.064 1.224 ( 1.063 0.000 4.034) 4.172 1.335 ( 7.688 0.000 2.575) 8.108 1.389 ( 0.971 0.000 1.221) 1.561 1.448 ( 0.324 0.000 -9.284) 9.290 1.616 ( 0.833 0.000 3.036) 3.148 1.665 ( 2.672 0.000 1.129) 2.901 1.710 ( 3.044 0.000 1.700) 3.487 1.761 ( 0.995 0.000 -5.489) 5.578 1.886 ( -1.693 0.000 2.233) 2.802 1.990 ( -2.975 0.000 -2.918) 4.167 2.042 ( 2.396 0.000 1.455) 2.803 2.056 ( -1.442 0.000 -0.181) 1.453 2.131 ( -1.676 0.000 1.599) 2.317 2.135 ( -1.637 0.000 -0.262) 1.658 2.251 ( 2.863 0.000 -6.073) 6.714 2.255 ( 1.786 0.000 2.326) 2.933 2.451 ( -6.883 0.000 5.816) 9.012 2.660 ( -7.942 0.000 -4.861) 9.312 3.460 ( -0.098 0.000 -0.288) 0.304 3.479 ( -0.490 0.000 0.302) 0.575 3.667 ( 0.078 0.000 0.193) 0.208 3.688 ( -0.241 0.000 -0.238) 0.338 4.767 ( -0.105 0.000 -0.167) 0.197 4.789 ( -0.102 0.000 0.189) 0.214 5.212 ( -0.466 0.000 0.518) 0.697 5.245 ( -0.508 0.000 -0.337) 0.610 6.692 ( -0.467 0.000 -0.906) 1.019 6.707 ( 0.612 0.000 0.639) 0.884 6.924 ( -0.090 0.000 -0.437) 0.447 6.938 ( 0.164 0.000 0.506) 0.532 7.143 ( -1.229 0.000 0.338) 1.275 7.149 ( -0.745 0.000 -0.407) 0.849 7.673 ( 0.186 0.000 -0.477) 0.513 7.677 ( -0.821 0.000 -0.410) 0.917 8.117 ( -0.630 0.000 0.005) 0.630 8.123 ( -0.706 0.000 -0.121) 0.716 8.430 ( 1.034 0.000 0.396) 1.107 8.442 ( 1.108 0.000 -0.461) 1.200 8.837 ( 2.235 0.000 1.342) 2.607 8.945 ( 2.074 0.000 -3.734) 4.271 9.608 ( -0.473 0.000 -0.272) 0.546 9.610 ( -0.505 0.000 0.402) 0.645 10.162 ( -5.507 0.000 10.069) 11.476 10.589 ( -4.360 0.000 0.888) 4.449 10.825 ( -1.466 0.000 -1.507) 2.103 10.845 ( -0.819 0.000 0.515) 0.968 10.851 ( -0.452 0.000 0.174) 0.484 10.875 ( 0.008 0.000 -1.393) 1.393 10.956 ( -1.625 0.000 2.671) 3.126 10.981 ( 0.301 0.000 -1.151) 1.189 12.417 ( -2.198 0.000 -1.039) 2.431 12.474 ( -0.823 0.000 0.078) 0.826 13.023 ( -0.219 0.000 -0.850) 0.878 13.062 ( -1.618 0.000 0.803) 1.806 14.335 ( 1.511 0.000 1.936) 2.456 14.386 ( 1.011 0.000 -2.733) 2.914 14.929 ( -0.383 0.000 4.361) 4.378 15.049 ( 0.188 0.000 -2.991) 2.997 15.686 ( 5.428 0.000 3.681) 6.559 15.913 ( 9.945 0.000 -5.537) 11.383 16.301 ( 3.040 0.000 5.480) 6.267 16.465 ( 2.967 0.000 -4.282) 5.209 17.105 ( -4.104 0.000 -1.501) 4.370 17.123 ( -1.378 0.000 -0.598) 1.502 17.366 ( 1.754 0.000 0.220) 1.768 17.410 ( -2.762 0.000 3.181) 4.213 17.967 ( -9.392 0.000 8.388) 12.592 17.983 ( -7.893 0.000 -4.569) 9.120 18.078 ( -3.476 0.000 6.241) 7.144 18.158 ( -2.978 0.000 -5.357) 6.129 18.848 ( -1.888 0.000 -0.595) 1.979 18.869 ( -2.684 0.000 0.566) 2.743 19.570 ( 6.040 0.000 0.222) 6.044 19.795 ( -4.689 0.000 6.795) 8.256 20.259 ( 10.676 0.000 -18.003) 20.931 20.437 ( -8.996 0.000 8.413) 12.317 21.592 ( -0.621 0.000 -0.218) 0.658 21.601 ( -0.868 0.000 0.127) 0.878 ======================= Grid point 102 (34/110) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 8.257 0.000 -8.062) 11.541 0.811 ( 11.864 0.000 4.850) 12.816 0.816 ( 9.886 0.000 -3.497) 10.486 1.137 ( 3.113 0.000 1.294) 3.371 1.146 ( 9.058 0.000 1.661) 9.209 1.261 ( 4.578 0.000 -3.300) 5.644 1.308 ( 4.989 0.000 1.560) 5.227 1.383 ( -0.944 0.000 0.605) 1.122 1.459 ( 1.374 0.000 -4.034) 4.261 1.494 ( 4.946 0.000 2.008) 5.338 1.672 ( 4.408 0.000 6.812) 8.114 1.700 ( 0.863 0.000 0.809) 1.183 1.775 ( 2.471 0.000 0.615) 2.547 1.779 ( 2.162 0.000 -1.821) 2.826 1.821 ( -4.301 0.000 0.405) 4.320 1.907 ( -2.466 0.000 -1.910) 3.119 2.041 ( -1.044 0.000 -0.302) 1.086 2.073 ( -2.471 0.000 -1.326) 2.804 2.107 ( -0.838 0.000 3.819) 3.910 2.118 ( 1.618 0.000 2.756) 3.196 2.269 ( 0.337 0.000 -4.590) 4.603 2.301 ( 2.114 0.000 1.946) 2.873 2.343 ( -4.845 0.000 2.925) 5.659 2.495 ( -7.927 0.000 -6.796) 10.441 3.456 ( -0.300 0.000 -0.398) 0.498 3.465 ( -0.921 0.000 0.365) 0.991 3.672 ( 0.326 0.000 0.120) 0.347 3.684 ( -0.073 0.000 -0.096) 0.121 4.765 ( -0.000 0.000 -0.354) 0.354 4.785 ( -0.343 0.000 0.323) 0.471 5.205 ( -0.408 0.000 0.388) 0.563 5.233 ( -0.645 0.000 -0.184) 0.671 6.686 ( 0.016 0.000 -0.502) 0.502 6.720 ( 0.490 0.000 0.285) 0.567 6.924 ( 0.121 0.000 -0.440) 0.456 6.942 ( 0.110 0.000 0.547) 0.558 7.120 ( -1.152 0.000 0.290) 1.188 7.134 ( -0.663 0.000 -0.452) 0.802 7.667 ( -0.153 0.000 -0.287) 0.325 7.675 ( 0.138 0.000 -0.431) 0.453 8.104 ( -0.643 0.000 -0.038) 0.644 8.108 ( -0.735 0.000 -0.070) 0.738 8.451 ( 1.031 0.000 0.377) 1.098 8.463 ( 1.093 0.000 -0.495) 1.200 8.876 ( 1.348 0.000 1.674) 2.149 8.961 ( 0.569 0.000 -2.204) 2.277 9.600 ( -0.275 0.000 -0.339) 0.437 9.601 ( -0.500 0.000 0.451) 0.674 10.105 ( -2.873 0.000 7.261) 7.809 10.490 ( -5.089 0.000 -2.504) 5.671 10.804 ( -0.620 0.000 -0.581) 0.849 10.835 ( -0.354 0.000 0.519) 0.628 10.841 ( -0.656 0.000 0.086) 0.661 10.872 ( 0.016 0.000 -1.629) 1.629 10.937 ( -1.017 0.000 2.369) 2.578 10.980 ( -0.103 0.000 -0.887) 0.893 12.382 ( -1.190 0.000 -0.589) 1.328 12.455 ( -1.114 0.000 -0.194) 1.131 13.019 ( -0.081 0.000 -0.373) 0.381 13.038 ( -0.999 0.000 0.421) 1.084 14.367 ( 1.328 0.000 1.412) 1.939 14.403 ( 1.297 0.000 -2.344) 2.679 14.928 ( -0.687 0.000 4.201) 4.257 15.044 ( 0.095 0.000 -2.877) 2.879 15.809 ( 5.952 0.000 4.221) 7.297 16.081 ( 8.599 0.000 -8.021) 11.759 16.383 ( 3.872 0.000 6.701) 7.739 16.506 ( 2.261 0.000 -2.964) 3.728 17.045 ( -1.642 0.000 -1.334) 2.115 17.094 ( -1.348 0.000 -1.226) 1.822 17.347 ( -4.571 0.000 5.527) 7.172 17.392 ( 1.016 0.000 1.170) 1.549 17.769 ( -11.690 0.000 -6.845) 13.547 17.816 ( -7.309 0.000 4.516) 8.591 18.059 ( -0.646 0.000 2.093) 2.191 18.124 ( -0.489 0.000 -2.460) 2.508 18.814 ( -1.453 0.000 -0.536) 1.549 18.824 ( -2.038 0.000 0.624) 2.132 19.638 ( 1.305 0.000 -1.189) 1.765 19.713 ( -4.527 0.000 4.528) 6.403 20.337 ( -3.536 0.000 9.494) 10.131 20.413 ( 8.632 0.000 -13.769) 16.251 21.579 ( -0.625 0.000 -0.257) 0.676 21.584 ( -0.896 0.000 0.236) 0.927 ======================= Grid point 103 (35/110) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 8.229 0.000 -3.307) 8.868 1.025 ( 9.997 0.000 -1.145) 10.063 1.032 ( 9.180 0.000 4.348) 10.158 1.168 ( 0.694 0.000 1.094) 1.295 1.266 ( 1.624 0.000 2.300) 2.815 1.323 ( -3.316 0.000 0.736) 3.397 1.364 ( 5.475 0.000 -1.363) 5.642 1.386 ( 1.131 0.000 1.280) 1.708 1.462 ( 0.132 0.000 -0.557) 0.572 1.555 ( 2.703 0.000 -5.079) 5.754 1.688 ( -4.201 0.000 1.510) 4.464 1.745 ( 0.696 0.000 0.596) 0.916 1.752 ( -0.557 0.000 -0.576) 0.801 1.767 ( 0.177 0.000 -0.951) 0.967 1.847 ( 4.109 0.000 -0.096) 4.110 1.968 ( 2.103 0.000 2.319) 3.130 1.992 ( -0.802 0.000 2.214) 2.355 2.012 ( -1.994 0.000 -1.985) 2.813 2.124 ( 0.538 0.000 3.584) 3.624 2.131 ( -1.223 0.000 1.868) 2.233 2.262 ( 0.793 0.000 -2.748) 2.860 2.289 ( -1.628 0.000 1.921) 2.518 2.331 ( -6.805 0.000 -6.371) 9.322 2.334 ( 0.783 0.000 0.198) 0.808 3.449 ( -0.797 0.000 0.303) 0.853 3.449 ( -0.234 0.000 -0.341) 0.414 3.678 ( 0.318 0.000 0.032) 0.320 3.683 ( -0.019 0.000 0.000) 0.019 4.766 ( 0.233 0.000 -0.298) 0.378 4.779 ( -0.414 0.000 0.212) 0.466 5.200 ( -0.195 0.000 0.361) 0.411 5.221 ( -0.500 0.000 -0.153) 0.522 6.689 ( 0.316 0.000 0.050) 0.320 6.726 ( 0.128 0.000 -0.165) 0.209 6.927 ( 0.304 0.000 -0.243) 0.389 6.943 ( -0.130 0.000 0.293) 0.321 7.102 ( -0.665 0.000 0.367) 0.759 7.122 ( -0.382 0.000 -0.462) 0.600 7.667 ( 0.141 0.000 -0.176) 0.226 7.675 ( -0.006 0.000 -0.318) 0.318 8.093 ( -0.390 0.000 -0.059) 0.394 8.096 ( -0.474 0.000 -0.062) 0.478 8.469 ( 0.600 0.000 0.310) 0.675 8.480 ( 0.735 0.000 -0.440) 0.857 8.897 ( 0.466 0.000 1.611) 1.677 8.963 ( 0.189 0.000 -1.407) 1.419 9.593 ( -0.375 0.000 0.416) 0.560 9.597 ( 0.042 0.000 -0.257) 0.261 10.080 ( -1.448 0.000 6.189) 6.356 10.399 ( -3.326 0.000 -4.400) 5.516 10.796 ( -0.166 0.000 0.190) 0.252 10.829 ( -0.526 0.000 -0.083) 0.533 10.832 ( -0.087 0.000 0.476) 0.484 10.868 ( -0.063 0.000 -1.548) 1.549 10.928 ( -0.518 0.000 1.963) 2.030 10.975 ( -0.187 0.000 -0.795) 0.817 12.368 ( -0.180 0.000 0.095) 0.203 12.433 ( -0.971 0.000 -0.614) 1.149 13.017 ( -0.047 0.000 -0.083) 0.095 13.024 ( -0.496 0.000 0.158) 0.520 14.389 ( 0.598 0.000 0.902) 1.082 14.422 ( 1.093 0.000 -1.887) 2.181 14.923 ( -0.849 0.000 3.899) 3.991 15.041 ( 0.290 0.000 -2.608) 2.624 15.917 ( 3.809 0.000 4.569) 5.948 16.192 ( 4.861 0.000 -8.604) 9.882 16.465 ( 2.551 0.000 5.315) 5.895 16.538 ( 1.653 0.000 -1.707) 2.376 17.041 ( 1.452 0.000 -1.412) 2.025 17.069 ( -0.883 0.000 -1.454) 1.701 17.273 ( -4.184 0.000 6.024) 7.335 17.417 ( 1.398 0.000 2.663) 3.008 17.541 ( -9.621 0.000 -4.907) 10.800 17.710 ( -4.294 0.000 -0.463) 4.319 18.054 ( -0.299 0.000 1.523) 1.552 18.115 ( -0.029 0.000 -1.629) 1.629 18.792 ( -0.598 0.000 -0.386) 0.712 18.795 ( -1.158 0.000 0.406) 1.228 19.639 ( -0.238 0.000 -0.651) 0.693 19.652 ( -2.637 0.000 2.241) 3.461 20.319 ( -1.418 0.000 7.871) 7.998 20.522 ( 5.596 0.000 -9.580) 11.094 21.569 ( -0.632 0.000 0.247) 0.679 21.569 ( -0.338 0.000 -0.188) 0.387 ======================= Grid point 104 (36/110) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 7.481 0.000 3.168) 8.124 1.110 ( -3.946 0.000 2.518) 4.681 1.169 ( 4.211 0.000 -1.265) 4.397 1.203 ( 0.467 0.000 -2.141) 2.191 1.234 ( -1.303 0.000 1.220) 1.785 1.260 ( -0.737 0.000 1.035) 1.270 1.379 ( -2.894 0.000 5.084) 5.851 1.417 ( -0.583 0.000 -0.167) 0.607 1.480 ( -0.149 0.000 2.013) 2.018 1.589 ( -3.216 0.000 -3.322) 4.624 1.603 ( 4.051 0.000 -3.567) 5.397 1.749 ( -1.738 0.000 -5.699) 5.958 1.752 ( -0.243 0.000 0.162) 0.292 1.774 ( 1.476 0.000 -1.715) 2.263 1.885 ( -5.029 0.000 1.998) 5.411 1.918 ( 3.253 0.000 1.407) 3.544 2.022 ( 2.285 0.000 0.286) 2.303 2.036 ( 0.631 0.000 2.108) 2.200 2.094 ( -5.016 0.000 -0.475) 5.039 2.103 ( -1.017 0.000 0.684) 1.225 2.264 ( -1.755 0.000 0.727) 1.899 2.272 ( 2.229 0.000 -1.140) 2.504 2.313 ( 4.467 0.000 0.175) 4.470 2.326 ( -1.480 0.000 -1.715) 2.265 3.439 ( -0.222 0.000 0.175) 0.283 3.448 ( 0.193 0.000 -0.205) 0.282 3.682 ( 0.073 0.000 0.022) 0.076 3.683 ( -0.044 0.000 0.002) 0.044 4.771 ( -0.335 0.000 -0.047) 0.338 4.772 ( 0.349 0.000 -0.059) 0.354 5.200 ( 0.103 0.000 0.443) 0.454 5.215 ( -0.103 0.000 -0.231) 0.253 6.697 ( 0.387 0.000 0.531) 0.657 6.723 ( -0.351 0.000 -0.601) 0.696 6.934 ( 0.387 0.000 0.086) 0.397 6.938 ( -0.404 0.000 -0.093) 0.415 7.097 ( 0.002 0.000 0.445) 0.445 7.118 ( 0.064 0.000 -0.484) 0.488 7.669 ( 0.058 0.000 -0.087) 0.104 7.673 ( -0.119 0.000 -0.324) 0.345 8.090 ( 0.021 0.000 -0.048) 0.052 8.091 ( -0.027 0.000 -0.081) 0.086 8.474 ( -0.113 0.000 0.234) 0.260 8.487 ( 0.111 0.000 -0.361) 0.378 8.903 ( -0.127 0.000 1.524) 1.530 8.964 ( 0.292 0.000 -1.152) 1.189 9.589 ( -0.178 0.000 0.286) 0.337 9.600 ( 0.338 0.000 -0.113) 0.356 10.079 ( -0.141 0.000 6.443) 6.444 10.349 ( -0.636 0.000 -5.435) 5.472 10.798 ( 0.278 0.000 0.560) 0.625 10.822 ( -0.135 0.000 -0.293) 0.322 10.833 ( 0.014 0.000 0.506) 0.506 10.863 ( -0.067 0.000 -1.449) 1.451 10.926 ( -0.160 0.000 1.697) 1.705 10.972 ( 0.140 0.000 -0.755) 0.768 12.374 ( 0.644 0.000 0.738) 0.980 12.417 ( -0.447 0.000 -1.155) 1.239 13.018 ( 0.115 0.000 0.059) 0.129 13.019 ( -0.154 0.000 0.022) 0.156 14.393 ( -0.447 0.000 0.502) 0.672 14.434 ( 0.527 0.000 -1.508) 1.597 14.916 ( -0.792 0.000 3.581) 3.667 15.044 ( 0.631 0.000 -2.288) 2.374 15.962 ( -0.522 0.000 4.687) 4.716 16.228 ( 1.041 0.000 -8.384) 8.448 16.488 ( -1.466 0.000 3.752) 4.029 16.560 ( 0.840 0.000 -0.708) 1.098 17.053 ( -0.500 0.000 -1.565) 1.643 17.064 ( 0.343 0.000 -1.895) 1.925 17.232 ( -1.095 0.000 5.590) 5.696 17.409 ( -2.684 0.000 -0.365) 2.709 17.484 ( 5.438 0.000 1.932) 5.771 17.648 ( -1.626 0.000 -3.406) 3.774 18.054 ( -0.166 0.000 1.350) 1.360 18.114 ( 0.365 0.000 -1.387) 1.434 18.781 ( -0.288 0.000 0.156) 0.327 18.789 ( 0.287 0.000 -0.176) 0.336 19.622 ( -0.839 0.000 1.048) 1.343 19.647 ( 1.371 0.000 0.269) 1.397 20.292 ( -3.538 0.000 5.731) 6.735 20.584 ( 2.994 0.000 -6.958) 7.575 21.562 ( -0.144 0.000 0.157) 0.213 21.567 ( 0.167 0.000 -0.069) 0.181 ======================= Grid point 105 (37/110) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -10.780 0.000 -1.081) 10.834 1.099 ( -6.317 0.000 -3.571) 7.257 1.124 ( -4.271 0.000 -0.234) 4.278 1.169 ( -6.900 0.000 4.817) 8.415 1.270 ( 1.501 0.000 4.620) 4.858 1.306 ( 2.311 0.000 0.376) 2.342 1.345 ( -1.680 0.000 0.334) 1.713 1.370 ( -3.473 0.000 -0.070) 3.474 1.445 ( 1.260 0.000 -1.235) 1.764 1.547 ( -8.635 0.000 -6.923) 11.067 1.612 ( 2.929 0.000 1.455) 3.271 1.688 ( -3.980 0.000 2.517) 4.709 1.763 ( 2.203 0.000 -0.164) 2.209 1.820 ( 2.073 0.000 -2.180) 3.009 1.849 ( 2.732 0.000 -0.552) 2.787 1.963 ( 0.283 0.000 3.167) 3.180 1.994 ( -3.391 0.000 -1.680) 3.785 2.060 ( 2.152 0.000 0.427) 2.194 2.081 ( 3.171 0.000 4.410) 5.431 2.114 ( 0.551 0.000 2.080) 2.151 2.225 ( -1.770 0.000 -0.605) 1.871 2.275 ( -2.824 0.000 -3.629) 4.598 2.316 ( 1.808 0.000 -0.378) 1.847 2.410 ( 4.962 0.000 -2.114) 5.394 3.441 ( 0.370 0.000 -0.010) 0.370 3.455 ( 0.620 0.000 -0.028) 0.620 3.681 ( -0.209 0.000 0.128) 0.245 3.682 ( -0.045 0.000 -0.096) 0.106 4.766 ( -0.095 0.000 -0.317) 0.331 4.778 ( 0.283 0.000 0.231) 0.365 5.205 ( 0.336 0.000 0.588) 0.677 5.217 ( 0.366 0.000 -0.379) 0.527 6.706 ( 0.313 0.000 0.756) 0.818 6.711 ( -0.704 0.000 -0.872) 1.121 6.929 ( -0.413 0.000 -0.327) 0.527 6.941 ( 0.296 0.000 0.377) 0.480 7.104 ( 0.556 0.000 0.396) 0.682 7.123 ( 0.533 0.000 -0.493) 0.726 7.668 ( -0.090 0.000 -0.036) 0.097 7.670 ( -0.151 0.000 -0.457) 0.481 8.094 ( 0.423 0.000 -0.010) 0.423 8.095 ( 0.444 0.000 -0.108) 0.457 8.465 ( -0.796 0.000 0.187) 0.818 8.482 ( -0.553 0.000 -0.315) 0.636 8.899 ( -0.661 0.000 1.581) 1.714 8.968 ( 0.452 0.000 -1.402) 1.473 9.589 ( 0.103 0.000 0.134) 0.169 9.608 ( 0.514 0.000 -0.044) 0.515 10.106 ( 1.166 0.000 8.099) 8.182 10.348 ( 1.959 0.000 -6.198) 6.500 10.809 ( 0.697 0.000 0.699) 0.987 10.823 ( 0.355 0.000 -0.579) 0.679 10.835 ( 0.087 0.000 0.530) 0.537 10.858 ( -0.087 0.000 -1.412) 1.414 10.929 ( 0.056 0.000 1.648) 1.649 10.977 ( 0.560 0.000 -0.696) 0.894 12.395 ( 1.255 0.000 1.185) 1.726 12.412 ( 0.247 0.000 -1.706) 1.723 13.017 ( -0.003 0.000 -0.113) 0.113 13.023 ( 0.418 0.000 0.189) 0.459 14.375 ( -1.398 0.000 0.321) 1.434 14.434 ( -0.145 0.000 -1.317) 1.325 14.910 ( -0.600 0.000 3.375) 3.428 15.053 ( 0.823 0.000 -2.071) 2.228 15.921 ( -4.672 0.000 4.822) 6.714 16.187 ( -3.414 0.000 -9.141) 9.757 16.436 ( -4.336 0.000 4.489) 6.242 16.565 ( -0.265 0.000 -0.598) 0.654 17.043 ( 0.076 0.000 -2.276) 2.277 17.054 ( -0.182 0.000 -0.454) 0.489 17.258 ( 1.993 0.000 6.019) 6.340 17.398 ( 0.553 0.000 0.292) 0.625 17.630 ( 0.724 0.000 -4.656) 4.712 17.658 ( 11.639 0.000 1.541) 11.740 18.054 ( -0.136 0.000 1.289) 1.296 18.125 ( 1.173 0.000 -1.414) 1.837 18.784 ( 0.578 0.000 -0.037) 0.579 18.802 ( 1.090 0.000 0.056) 1.092 19.621 ( 0.444 0.000 0.377) 0.582 19.702 ( 4.276 0.000 1.333) 4.479 20.201 ( -7.075 0.000 3.409) 7.853 20.610 ( 1.365 0.000 -5.233) 5.408 21.565 ( 0.405 0.000 0.031) 0.406 21.575 ( 0.598 0.000 0.026) 0.599 ======================= Grid point 106 (38/110) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -12.757 0.000 -2.380) 12.977 0.933 ( -13.575 0.000 2.917) 13.885 0.959 ( -6.705 0.000 -6.655) 9.447 1.046 ( -7.183 0.000 -0.878) 7.236 1.145 ( -15.667 0.000 -2.839) 15.922 1.248 ( -5.201 0.000 6.670) 8.458 1.309 ( 0.421 0.000 -2.838) 2.869 1.350 ( -1.404 0.000 -0.619) 1.535 1.432 ( -3.010 0.000 0.185) 3.016 1.558 ( 7.479 0.000 0.158) 7.481 1.612 ( -2.457 0.000 3.733) 4.469 1.629 ( -1.035 0.000 1.824) 2.098 1.784 ( -4.353 0.000 -0.487) 4.380 1.852 ( 5.680 0.000 0.871) 5.746 1.924 ( 3.751 0.000 -4.549) 5.897 1.952 ( -2.005 0.000 1.984) 2.821 2.008 ( 3.915 0.000 2.404) 4.594 2.069 ( -3.104 0.000 0.896) 3.231 2.102 ( -0.963 0.000 -1.158) 1.506 2.164 ( 4.007 0.000 4.988) 6.398 2.208 ( -1.073 0.000 -1.162) 1.581 2.251 ( 3.008 0.000 0.981) 3.164 2.334 ( 0.273 0.000 -2.091) 2.109 2.479 ( 3.158 0.000 -5.414) 6.268 3.451 ( 0.651 0.000 -0.223) 0.688 3.468 ( 0.597 0.000 0.191) 0.627 3.676 ( -0.306 0.000 0.295) 0.425 3.681 ( 0.010 0.000 -0.272) 0.272 4.767 ( 0.258 0.000 -0.472) 0.538 4.782 ( 0.064 0.000 0.441) 0.446 5.214 ( 0.369 0.000 0.740) 0.827 5.226 ( 0.693 0.000 -0.537) 0.877 6.694 ( -0.722 0.000 -0.863) 1.125 6.712 ( 0.226 0.000 0.643) 0.681 6.922 ( -0.159 0.000 -0.349) 0.383 6.946 ( 0.052 0.000 0.450) 0.453 7.119 ( 0.871 0.000 0.244) 0.905 7.135 ( 0.860 0.000 -0.413) 0.954 7.666 ( -0.079 0.000 -0.581) 0.586 7.667 ( 0.067 0.000 -0.126) 0.143 8.105 ( 0.654 0.000 0.042) 0.655 8.106 ( 0.764 0.000 -0.142) 0.777 8.447 ( -1.148 0.000 0.191) 1.164 8.466 ( -0.998 0.000 -0.306) 1.044 8.884 ( -1.388 0.000 1.745) 2.229 8.972 ( 0.244 0.000 -2.392) 2.404 9.594 ( 0.390 0.000 0.042) 0.392 9.619 ( 0.528 0.000 -0.141) 0.546 10.165 ( 2.766 0.000 11.635) 11.960 10.389 ( 3.727 0.000 -6.556) 7.541 10.826 ( 0.799 0.000 0.615) 1.008 10.831 ( 0.672 0.000 -1.091) 1.281 10.840 ( 0.409 0.000 0.478) 0.629 10.853 ( -0.117 0.000 -1.186) 1.191 10.934 ( 0.004 0.000 1.635) 1.635 10.989 ( 0.762 0.000 -0.509) 0.917 12.418 ( 0.878 0.000 -2.077) 2.255 12.426 ( 1.615 0.000 1.276) 2.058 13.016 ( -0.122 0.000 -0.365) 0.385 13.035 ( 0.777 0.000 0.425) 0.886 14.344 ( -1.909 0.000 0.420) 1.955 14.423 ( -0.622 0.000 -1.353) 1.489 14.908 ( -0.435 0.000 3.369) 3.397 15.064 ( 0.680 0.000 -2.027) 2.138 15.819 ( -6.721 0.000 4.912) 8.325 16.057 ( -7.456 0.000 -8.470) 11.285 16.363 ( -4.190 0.000 5.148) 6.638 16.548 ( -1.128 0.000 -1.694) 2.035 17.049 ( 1.154 0.000 -2.879) 3.101 17.071 ( 1.958 0.000 0.263) 1.975 17.317 ( 2.067 0.000 6.131) 6.470 17.410 ( 0.295 0.000 1.196) 1.232 17.654 ( 2.693 0.000 -3.264) 4.231 17.894 ( 11.174 0.000 0.335) 11.179 18.054 ( -0.129 0.000 1.235) 1.242 18.165 ( 4.098 0.000 -1.520) 4.371 18.803 ( 1.442 0.000 -0.183) 1.454 18.830 ( 1.731 0.000 0.275) 1.753 19.635 ( 0.699 0.000 -0.473) 0.844 19.805 ( 3.563 0.000 6.403) 7.327 20.056 ( -5.746 0.000 -3.434) 6.694 20.623 ( 1.488 0.000 -3.443) 3.751 21.576 ( 0.795 0.000 -0.096) 0.801 21.588 ( 0.712 0.000 0.069) 0.715 ======================= Grid point 107 (39/110) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -13.169 0.000 -2.610) 13.425 0.670 ( -14.275 0.000 5.410) 15.266 0.791 ( -15.535 0.000 0.329) 15.538 0.844 ( -6.975 0.000 -7.166) 10.000 0.860 ( -11.719 0.000 -1.650) 11.835 1.169 ( -3.705 0.000 4.310) 5.683 1.288 ( -5.015 0.000 -0.384) 5.030 1.332 ( 2.375 0.000 -2.317) 3.318 1.370 ( -2.950 0.000 3.957) 4.936 1.572 ( -2.485 0.000 -2.582) 3.583 1.623 ( 1.506 0.000 1.880) 2.409 1.691 ( -4.774 0.000 -0.066) 4.774 1.716 ( 5.457 0.000 4.457) 7.046 1.844 ( -4.255 0.000 -7.964) 9.030 1.973 ( -2.969 0.000 0.458) 3.004 1.982 ( 3.423 0.000 -2.608) 4.303 1.992 ( 0.462 0.000 3.481) 3.511 2.074 ( -0.667 0.000 -1.284) 1.447 2.086 ( 3.035 0.000 2.082) 3.680 2.198 ( 0.437 0.000 -1.055) 1.141 2.243 ( 2.463 0.000 1.543) 2.906 2.306 ( -2.563 0.000 -6.698) 7.172 2.359 ( 6.267 0.000 6.506) 9.034 2.526 ( 3.875 0.000 -2.265) 4.489 3.463 ( 0.664 0.000 -0.380) 0.765 3.476 ( 0.080 0.000 0.397) 0.405 3.672 ( -0.169 0.000 0.436) 0.468 3.681 ( 0.032 0.000 -0.459) 0.460 4.774 ( 0.544 0.000 -0.483) 0.728 4.782 ( -0.262 0.000 0.505) 0.569 5.221 ( 0.186 0.000 0.830) 0.851 5.239 ( 0.748 0.000 -0.656) 0.995 6.681 ( -0.387 0.000 -0.519) 0.647 6.718 ( 0.236 0.000 0.238) 0.335 6.921 ( 0.127 0.000 -0.247) 0.278 6.945 ( -0.215 0.000 0.273) 0.347 7.137 ( 0.926 0.000 0.097) 0.931 7.153 ( 0.982 0.000 -0.153) 0.994 7.665 ( 0.133 0.000 -0.415) 0.436 7.673 ( 0.670 0.000 -0.416) 0.789 8.118 ( 0.617 0.000 0.090) 0.624 8.121 ( 0.785 0.000 -0.188) 0.808 8.425 ( -1.047 0.000 0.241) 1.074 8.445 ( -1.060 0.000 -0.299) 1.101 8.853 ( -2.241 0.000 1.745) 2.840 8.959 ( -1.069 0.000 -4.674) 4.795 9.603 ( 0.522 0.000 0.041) 0.524 9.627 ( 0.363 0.000 -0.353) 0.506 10.282 ( 6.547 0.000 18.068) 19.218 10.455 ( 4.539 0.000 -5.802) 7.367 10.837 ( 0.158 0.000 -2.375) 2.380 10.837 ( 0.359 0.000 0.228) 0.425 10.852 ( 0.315 0.000 0.044) 0.318 10.856 ( 1.049 0.000 0.193) 1.066 10.934 ( -0.469 0.000 1.420) 1.495 11.002 ( 0.632 0.000 -0.102) 0.640 12.435 ( 1.285 0.000 -1.999) 2.376 12.460 ( 1.613 0.000 0.920) 1.857 13.008 ( -0.623 0.000 -0.685) 0.926 13.054 ( 0.891 0.000 0.784) 1.187 14.308 ( -1.780 0.000 0.794) 1.949 14.407 ( -0.668 0.000 -1.494) 1.637 14.909 ( -0.388 0.000 3.508) 3.530 15.068 ( 0.248 0.000 -2.139) 2.153 15.700 ( -6.457 0.000 4.527) 7.886 15.886 ( -7.903 0.000 -6.135) 10.005 16.300 ( -3.561 0.000 4.609) 5.824 16.513 ( -1.892 0.000 -4.264) 4.665 17.074 ( 2.062 0.000 -2.010) 2.880 17.122 ( 3.177 0.000 -0.180) 3.182 17.350 ( -0.115 0.000 3.685) 3.687 17.409 ( -0.913 0.000 1.784) 2.004 17.722 ( 4.694 0.000 3.123) 5.638 18.033 ( 3.517 0.000 -0.210) 3.523 18.055 ( -0.094 0.000 1.183) 1.187 18.296 ( 8.698 0.000 -0.138) 8.699 18.839 ( 2.396 0.000 -0.519) 2.452 18.867 ( 1.879 0.000 0.474) 1.938 19.633 ( -0.980 0.000 -2.675) 2.849 19.704 ( -13.595 0.000 8.585) 16.078 20.140 ( 13.864 0.000 -8.313) 16.165 20.669 ( 4.279 0.000 -0.565) 4.317 21.593 ( 0.885 0.000 -0.211) 0.910 21.601 ( 0.531 0.000 0.101) 0.540 ======================= Grid point 108 (40/110) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( -12.543 0.000 0.086) 12.544 0.429 ( -12.275 0.000 10.234) 15.981 0.524 ( -10.243 0.000 18.094) 20.793 0.611 ( -12.847 0.000 -1.146) 12.898 0.768 ( -0.054 0.000 -11.543) 11.543 1.131 ( -1.081 0.000 1.408) 1.775 1.186 ( -4.933 0.000 2.176) 5.391 1.339 ( -1.514 0.000 3.916) 4.199 1.377 ( 2.350 0.000 -2.102) 3.153 1.519 ( -2.041 0.000 -4.398) 4.848 1.611 ( -3.458 0.000 0.718) 3.531 1.646 ( 0.498 0.000 -0.453) 0.673 1.692 ( -4.379 0.000 -7.563) 8.740 1.802 ( -4.508 0.000 -1.124) 4.646 1.894 ( 0.007 0.000 -1.092) 1.092 2.000 ( 0.011 0.000 1.111) 1.111 2.043 ( 3.009 0.000 -1.736) 3.474 2.105 ( 1.773 0.000 2.401) 2.984 2.110 ( -10.205 0.000 -12.106) 15.833 2.137 ( -2.028 0.000 -3.292) 3.866 2.212 ( 1.368 0.000 -2.342) 2.712 2.283 ( -0.255 0.000 -0.164) 0.303 2.495 ( 5.156 0.000 10.068) 11.311 2.670 ( 11.193 0.000 6.545) 12.966 3.473 ( -0.425 0.000 0.440) 0.612 3.474 ( 0.524 0.000 -0.503) 0.726 3.672 ( -0.059 0.000 0.504) 0.507 3.681 ( 0.145 0.000 -0.324) 0.355 4.776 ( -0.445 0.000 0.426) 0.616 4.783 ( 0.415 0.000 -0.563) 0.700 5.224 ( -0.105 0.000 0.787) 0.794 5.250 ( 0.532 0.000 -0.717) 0.893 6.679 ( 0.162 0.000 0.182) 0.243 6.722 ( 0.163 0.000 -0.285) 0.328 6.925 ( 0.263 0.000 -0.086) 0.276 6.940 ( -0.329 0.000 0.031) 0.330 7.153 ( 0.750 0.000 0.137) 0.762 7.172 ( 1.024 0.000 0.192) 1.041 7.671 ( 0.577 0.000 0.389) 0.696 7.691 ( 1.149 0.000 -0.652) 1.321 8.127 ( 0.345 0.000 0.111) 0.363 8.133 ( 0.491 0.000 -0.236) 0.545 8.410 ( -0.595 0.000 0.280) 0.657 8.427 ( -0.686 0.000 -0.302) 0.750 8.810 ( -2.442 0.000 1.161) 2.704 8.889 ( -5.220 0.000 -6.954) 8.695 9.612 ( 0.416 0.000 0.118) 0.432 9.630 ( 0.020 0.000 -0.431) 0.431 10.532 ( 4.451 0.000 -3.188) 5.475 10.554 ( 17.903 0.000 21.530) 28.001 10.826 ( -0.447 0.000 -2.209) 2.254 10.848 ( 0.691 0.000 0.243) 0.732 10.860 ( 0.270 0.000 0.246) 0.366 10.873 ( 0.572 0.000 -0.077) 0.577 10.919 ( -1.299 0.000 1.120) 1.715 11.010 ( 0.048 0.000 0.319) 0.323 12.458 ( 1.598 0.000 -0.931) 1.849 12.488 ( 1.013 0.000 0.320) 1.063 12.992 ( -0.415 0.000 0.555) 0.693 13.067 ( 0.141 0.000 0.935) 0.946 14.284 ( -0.913 0.000 1.397) 1.670 14.395 ( 0.023 0.000 -1.567) 1.567 14.909 ( -0.471 0.000 3.546) 3.577 15.063 ( -0.174 0.000 -2.382) 2.389 15.602 ( -4.471 0.000 3.298) 5.556 15.746 ( -4.950 0.000 -4.206) 6.496 16.251 ( -2.517 0.000 3.769) 4.532 16.440 ( -4.854 0.000 -7.776) 9.167 17.125 ( 3.570 0.000 1.319) 3.806 17.187 ( 3.595 0.000 -1.094) 3.758 17.331 ( -1.701 0.000 1.272) 2.124 17.378 ( -2.868 0.000 1.874) 3.426 17.892 ( 13.685 0.000 15.290) 20.520 18.057 ( 0.145 0.000 1.545) 1.552 18.069 ( 0.972 0.000 -0.538) 1.110 18.426 ( 3.091 0.000 2.777) 4.155 18.894 ( 3.451 0.000 -1.080) 3.616 18.899 ( 1.200 0.000 0.689) 1.384 19.454 ( -11.877 0.000 3.295) 12.325 19.557 ( -6.845 0.000 -6.877) 9.703 20.422 ( 15.101 0.000 -4.906) 15.878 20.794 ( 7.643 0.000 -0.641) 7.670 21.608 ( 0.669 0.000 -0.245) 0.713 21.608 ( 0.256 0.000 0.200) 0.325 ======================= Grid point 109 (41/110) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 11.002 15.226 0.490) 18.792 0.419 ( 2.519 7.196 14.832) 16.677 0.477 ( -4.950 6.162 -4.265) 8.982 0.707 ( -0.520 14.460 20.532) 25.118 0.872 ( 4.739 7.658 -8.592) 12.447 1.133 ( -0.613 2.265 0.328) 2.369 1.173 ( -2.981 2.746 -0.987) 4.172 1.318 ( -1.918 1.004 3.775) 4.351 1.387 ( -0.315 0.072 -3.401) 3.416 1.474 ( -0.850 -0.372 -5.787) 5.860 1.560 ( -1.125 -1.214 1.314) 2.113 1.612 ( -0.158 -2.179 -1.465) 2.631 1.676 ( 1.874 -0.471 -5.617) 5.940 1.703 ( -3.192 1.882 -0.298) 3.718 1.786 ( -1.026 -3.665 0.170) 3.810 1.868 ( -2.023 -1.980 -5.717) 6.379 1.994 ( 3.625 -3.697 1.603) 5.420 2.062 ( 1.513 -2.832 -1.744) 3.654 2.117 ( -0.210 -1.111 1.489) 1.870 2.165 ( -0.286 1.527 -0.241) 1.573 2.213 ( -0.876 0.927 1.035) 1.643 2.344 ( 0.642 3.006 -1.831) 3.577 2.575 ( 0.168 -0.625 9.636) 9.658 2.857 ( 2.322 -3.685 -4.816) 6.493 3.478 ( -0.319 1.220 0.217) 1.280 3.488 ( 0.214 1.000 -0.165) 1.036 3.676 ( -0.065 0.546 0.405) 0.683 3.694 ( 0.294 0.549 -0.256) 0.673 4.785 ( 0.201 0.977 -0.293) 1.039 4.790 ( -0.213 0.629 -0.272) 0.717 5.221 ( -0.164 -0.133 0.697) 0.728 5.252 ( 0.181 -0.362 -0.642) 0.759 6.693 ( 0.291 0.869 0.551) 1.069 6.724 ( -0.166 0.383 -0.639) 0.763 6.925 ( 0.067 -0.415 0.193) 0.462 6.933 ( -0.217 0.056 -0.276) 0.356 7.164 ( 0.282 -0.140 0.276) 0.419 7.175 ( -0.338 -0.508 0.047) 0.612 7.681 ( -0.195 0.145 0.577) 0.626 7.705 ( 0.117 -0.294 -0.223) 0.387 8.131 ( -0.040 0.089 0.093) 0.135 8.138 ( -0.028 -0.038 -0.164) 0.170 8.398 ( 0.061 -0.643 0.285) 0.706 8.412 ( -0.011 -0.663 -0.333) 0.742 8.802 ( -1.681 1.461 -0.457) 2.274 8.803 ( 1.905 1.408 -0.367) 2.398 9.623 ( 0.120 0.535 0.215) 0.589 9.632 ( -0.230 0.599 -0.075) 0.646 10.308 ( -2.931 -9.565 15.252) 18.240 10.675 ( -2.056 -4.695 -7.344) 8.956 10.846 ( 0.043 -0.854 0.935) 1.267 10.876 ( 0.214 -0.394 -0.541) 0.703 10.892 ( -1.655 0.643 0.253) 1.794 10.901 ( 0.932 1.441 0.015) 1.716 10.988 ( -0.883 -1.105 -0.130) 1.420 11.005 ( 3.309 -0.137 -1.694) 3.720 12.492 ( 0.422 0.644 0.225) 0.802 12.501 ( -0.509 0.483 -0.042) 0.703 13.035 ( 0.701 1.236 2.457) 2.838 13.140 ( 1.193 2.036 -3.893) 4.552 14.297 ( 0.225 1.480 1.944) 2.454 14.398 ( 0.040 0.826 -2.379) 2.518 14.954 ( -0.083 3.917 3.818) 5.470 15.086 ( 0.881 1.865 -1.592) 2.605 15.574 ( 0.258 2.069 2.221) 3.046 15.696 ( 0.473 0.531 -3.014) 3.097 16.245 ( -0.864 0.748 1.732) 2.075 16.343 ( 0.904 -0.136 -2.099) 2.290 17.067 ( 0.850 -3.470 -2.384) 4.295 17.076 ( -0.226 -8.619 -1.117) 8.694 17.424 ( -2.190 3.298 5.119) 6.471 17.587 ( 2.018 11.972 -3.282) 12.577 18.048 ( -0.126 -0.430 0.623) 0.768 18.077 ( -0.298 0.006 -0.756) 0.813 18.305 ( 15.985 -7.083 4.474) 18.047 18.333 ( -7.741 -7.165 0.856) 10.583 18.932 ( -0.555 1.986 0.388) 2.098 18.948 ( -0.895 0.365 -0.003) 0.966 19.429 ( 0.476 6.170 -0.072) 6.189 19.532 ( 3.205 11.195 -10.269) 15.526 20.346 ( -7.483 -14.731 13.509) 21.342 20.570 ( -4.163 -10.747 -2.592) 11.813 21.620 ( -0.348 0.725 0.131) 0.815 21.623 ( -0.040 0.444 0.149) 0.470 ======================= Grid point 110 (42/110) ======================= q-point: ( 0.10 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 4.085 4.681 0.021) 6.213 0.488 ( 9.061 7.918 3.710) 12.592 0.526 ( 5.919 10.128 0.932) 11.767 0.883 ( 11.016 5.817 17.572) 21.540 0.971 ( 6.130 6.645 -10.162) 13.601 1.081 ( -1.924 2.796 -1.273) 3.625 1.170 ( 2.678 2.154 1.800) 3.879 1.284 ( -2.061 0.150 1.876) 2.791 1.390 ( 1.430 1.884 -0.568) 2.433 1.461 ( 1.031 -0.464 -7.898) 7.978 1.574 ( -0.715 -4.119 2.843) 5.056 1.588 ( 1.943 -0.068 -1.621) 2.531 1.676 ( -0.378 -0.006 -0.776) 0.863 1.742 ( 4.447 0.894 -4.067) 6.093 1.840 ( 0.481 -2.682 -0.356) 2.748 1.899 ( 7.941 -5.603 -1.350) 9.812 2.033 ( 0.987 -1.527 -0.090) 1.820 2.063 ( -0.803 -1.768 -2.803) 3.410 2.119 ( -0.840 -0.205 -0.746) 1.142 2.154 ( 0.397 -1.790 -0.303) 1.858 2.205 ( -0.400 1.519 4.636) 4.895 2.334 ( -0.978 4.075 -3.436) 5.419 2.546 ( -5.013 -0.883 7.841) 9.348 2.770 ( -8.069 -4.540 -3.345) 9.844 3.469 ( -0.448 0.809 -0.016) 0.925 3.497 ( 0.399 1.372 0.085) 1.431 3.672 ( -0.277 0.476 0.212) 0.590 3.700 ( 0.217 0.691 -0.249) 0.766 4.776 ( -0.410 0.685 -0.099) 0.804 4.795 ( 0.191 0.659 -0.085) 0.692 5.217 ( -0.393 -0.172 0.581) 0.722 5.250 ( -0.198 -0.330 -0.514) 0.642 6.696 ( -0.286 0.263 0.311) 0.497 6.719 ( -0.003 1.015 -0.541) 1.150 6.926 ( -0.064 -0.179 -0.011) 0.191 6.932 ( 0.101 -0.163 0.009) 0.192 7.155 ( -0.976 -0.420 0.137) 1.071 7.168 ( -0.464 0.066 0.055) 0.472 7.673 ( -0.420 0.067 0.017) 0.425 7.698 ( -0.715 0.026 -0.066) 0.719 8.127 ( -0.394 0.094 0.088) 0.414 8.134 ( -0.391 -0.029 -0.138) 0.416 8.402 ( 0.386 -0.845 0.229) 0.957 8.421 ( 0.959 -0.497 -0.262) 1.112 8.805 ( 1.511 1.250 0.217) 1.973 8.881 ( 4.910 -0.177 -2.582) 5.551 9.622 ( -0.280 0.541 0.323) 0.689 9.625 ( -0.428 0.678 -0.142) 0.814 10.244 ( -6.257 -3.366 13.391) 15.159 10.599 ( -3.435 -3.708 -3.835) 6.345 10.836 ( -0.906 -0.771 0.468) 1.278 10.864 ( -1.385 0.035 0.153) 1.394 10.877 ( 0.058 -0.194 -0.660) 0.690 10.911 ( -0.292 1.918 0.150) 1.946 10.972 ( -0.216 -0.798 -1.204) 1.460 10.999 ( -2.122 0.598 1.104) 2.466 12.457 ( -2.449 -0.145 -0.386) 2.484 12.505 ( -0.309 1.270 0.273) 1.335 13.033 ( -0.757 0.870 0.733) 1.366 13.129 ( -1.420 1.913 -1.561) 2.849 14.315 ( 1.053 1.197 2.084) 2.624 14.395 ( 0.342 1.300 -2.763) 3.072 14.958 ( -0.442 3.293 3.820) 5.063 15.093 ( 0.231 2.964 -2.079) 3.628 15.609 ( 2.829 1.608 2.788) 4.285 15.750 ( 5.763 -0.153 -3.611) 6.803 16.252 ( 1.251 0.518 2.872) 3.175 16.404 ( 4.471 -0.533 -3.654) 5.799 17.052 ( -0.945 -4.983 -2.961) 5.873 17.098 ( 1.347 -7.674 -0.624) 7.816 17.390 ( -2.038 4.748 4.383) 6.775 17.551 ( -4.099 8.191 1.083) 9.223 18.040 ( -1.065 -0.628 0.514) 1.339 18.067 ( -0.837 0.043 -0.333) 0.902 18.139 ( -8.574 -6.876 -5.676) 12.370 18.431 ( -6.790 3.801 10.614) 13.160 18.903 ( -2.037 1.981 -0.401) 2.870 18.929 ( -1.774 0.663 -0.518) 1.963 19.411 ( 4.913 1.436 0.316) 5.128 19.747 ( 11.332 0.922 -7.939) 13.867 20.157 ( -7.327 -3.797 2.704) 8.683 20.488 ( -6.096 -10.144 4.013) 12.497 21.610 ( -0.465 0.406 -0.018) 0.617 21.622 ( -0.404 0.890 0.174) 0.993 ======================= Grid point 111 (43/110) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 6.273 4.155 7.881) 10.896 0.655 ( 10.448 -1.912 -10.210) 14.733 0.722 ( 12.329 8.428 2.932) 15.219 0.952 ( -0.184 -1.193 -9.935) 10.008 1.126 ( 9.732 2.257 0.039) 9.990 1.144 ( 3.919 4.059 3.184) 6.479 1.247 ( 0.141 2.255 3.365) 4.053 1.309 ( 7.249 -0.643 4.005) 8.307 1.409 ( 1.076 -0.026 1.723) 2.032 1.486 ( 3.027 3.574 -5.588) 7.291 1.552 ( -0.899 -5.121 4.414) 6.820 1.657 ( 2.000 -3.458 -1.635) 4.316 1.680 ( 2.696 0.389 -0.195) 2.731 1.804 ( 3.138 3.554 -2.434) 5.330 1.856 ( -0.228 -2.527 1.324) 2.862 1.990 ( 2.086 -4.216 -0.470) 4.727 2.039 ( -2.810 -0.065 0.311) 2.828 2.048 ( 0.035 1.648 -2.694) 3.158 2.084 ( 0.859 -0.885 0.309) 1.271 2.180 ( 0.694 0.150 0.631) 0.950 2.218 ( 0.830 -1.577 2.994) 3.485 2.300 ( -1.163 2.806 -3.486) 4.624 2.441 ( -6.681 -0.685 4.277) 7.962 2.596 ( -8.553 -5.618 -3.642) 10.863 3.461 ( -0.374 0.406 -0.099) 0.561 3.498 ( -0.367 1.522 0.132) 1.572 3.670 ( 0.128 0.508 0.138) 0.542 3.701 ( 0.023 1.208 -0.157) 1.219 4.771 ( -0.215 0.392 -0.171) 0.478 4.794 ( -0.235 0.441 0.168) 0.527 5.210 ( -0.479 -0.234 0.422) 0.680 5.242 ( -0.538 -0.327 -0.299) 0.696 6.687 ( -0.377 -0.095 -0.360) 0.529 6.723 ( 0.294 1.103 0.076) 1.144 6.924 ( -0.031 0.028 -0.369) 0.371 6.935 ( 0.198 -0.239 0.422) 0.524 7.136 ( -1.030 -0.414 0.091) 1.114 7.154 ( -0.909 0.176 -0.172) 0.941 7.668 ( -0.101 -0.158 -0.405) 0.446 7.684 ( -0.529 0.420 -0.095) 0.681 8.117 ( -0.641 0.086 0.047) 0.648 8.123 ( -0.656 0.042 -0.099) 0.665 8.415 ( 0.845 -1.124 0.146) 1.414 8.443 ( 1.212 -0.326 -0.189) 1.269 8.845 ( 2.178 0.889 0.911) 2.523 8.945 ( 2.350 -0.119 -2.560) 3.477 9.615 ( -0.496 0.666 -0.201) 0.855 9.616 ( -0.458 0.598 0.338) 0.826 10.165 ( -4.476 0.321 9.359) 10.379 10.523 ( -3.946 -5.066 -2.203) 6.789 10.817 ( -0.997 -0.655 -0.566) 1.320 10.840 ( -1.027 -0.348 0.238) 1.110 10.875 ( -0.116 0.096 -0.805) 0.819 10.896 ( -0.839 2.376 -0.334) 2.542 10.962 ( -1.923 0.655 2.211) 3.002 10.973 ( 0.329 -0.707 -1.003) 1.271 12.411 ( -1.949 -0.187 -0.755) 2.099 12.491 ( -1.074 1.294 0.228) 1.697 13.024 ( -0.218 0.764 -0.046) 0.796 13.094 ( -1.850 2.229 -0.173) 2.902 14.344 ( 1.323 0.856 1.712) 2.327 14.400 ( 0.890 1.303 -2.577) 3.021 14.958 ( -0.474 2.844 3.906) 4.855 15.088 ( -0.135 3.304 -2.432) 4.105 15.695 ( 5.120 1.001 3.568) 6.320 15.887 ( 9.013 -2.075 -5.124) 10.573 16.301 ( 2.701 0.050 4.408) 5.170 16.471 ( 3.396 0.172 -3.601) 4.953 17.023 ( -1.237 -3.959 -2.402) 4.793 17.108 ( -0.211 -4.822 -0.397) 4.843 17.376 ( -0.531 2.009 3.944) 4.458 17.467 ( -4.867 5.693 3.485) 8.261 17.930 ( -9.189 -4.906 -8.249) 13.287 18.015 ( -3.464 1.904 0.504) 3.985 18.068 ( -0.740 -0.428 1.113) 1.403 18.261 ( -9.727 8.559 6.845) 14.654 18.860 ( -2.208 1.203 -0.625) 2.591 18.881 ( -2.762 1.063 0.119) 2.962 19.547 ( 6.540 -1.540 0.560) 6.742 19.801 ( -3.685 0.483 5.379) 6.537 20.171 ( 7.820 -7.646 -15.508) 18.977 20.372 ( -5.815 -6.246 7.664) 11.470 21.600 ( -0.591 0.523 -0.040) 0.790 21.608 ( -1.030 0.811 0.057) 1.313 ======================= Grid point 112 (44/110) ======================= q-point: ( 0.30 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 8.563 -1.200 4.933) 9.955 0.814 ( 7.100 0.468 -9.412) 11.799 0.950 ( 10.483 5.162 -1.111) 11.738 1.011 ( 8.218 -5.082 -1.393) 9.762 1.166 ( -0.235 -2.793 0.011) 2.803 1.274 ( 2.250 -2.081 -1.331) 3.341 1.293 ( 5.861 2.903 0.235) 6.545 1.370 ( 1.275 -0.177 1.461) 1.947 1.450 ( -0.220 -3.515 0.654) 3.582 1.522 ( 0.984 3.124 -1.841) 3.757 1.632 ( 6.726 -1.278 8.901) 11.229 1.675 ( 1.284 -4.444 0.113) 4.627 1.736 ( 1.538 -0.499 -1.366) 2.117 1.848 ( 1.941 3.713 -1.088) 4.329 1.867 ( 2.164 3.263 1.148) 4.080 1.941 ( -4.747 1.979 -1.430) 5.338 1.996 ( -0.901 -1.346 -0.563) 1.715 2.074 ( 0.042 0.205 0.092) 0.229 2.103 ( 1.013 -0.847 2.735) 3.038 2.163 ( -2.279 2.786 1.948) 4.093 2.236 ( 0.132 -3.500 -0.460) 3.532 2.296 ( 1.169 -0.334 -0.340) 1.263 2.338 ( -3.956 -0.168 0.472) 3.988 2.429 ( -7.760 -6.049 -5.461) 11.254 3.454 ( -0.342 0.289 -0.085) 0.456 3.484 ( -0.964 1.407 0.064) 1.707 3.677 ( 0.455 0.711 0.124) 0.853 3.701 ( -0.055 1.401 -0.085) 1.405 4.767 ( -0.046 0.270 -0.308) 0.412 4.789 ( -0.383 0.296 0.281) 0.560 5.202 ( -0.395 -0.260 0.309) 0.565 5.230 ( -0.685 -0.367 -0.156) 0.793 6.683 ( 0.091 -0.130 -0.317) 0.355 6.728 ( 0.142 0.650 0.113) 0.675 6.924 ( 0.105 0.014 -0.421) 0.434 6.940 ( 0.111 -0.214 0.509) 0.563 7.117 ( -0.949 -0.216 0.211) 0.996 7.136 ( -0.806 0.099 -0.367) 0.891 7.666 ( 0.054 0.007 -0.318) 0.323 7.679 ( -0.081 0.325 -0.175) 0.378 8.105 ( -0.643 0.087 0.004) 0.649 8.109 ( -0.695 0.124 -0.068) 0.709 8.434 ( 1.104 -1.243 0.099) 1.665 8.463 ( 0.903 -0.372 -0.190) 0.995 8.884 ( 1.523 0.883 1.260) 2.165 8.967 ( 0.701 0.432 -1.712) 1.899 9.606 ( -0.419 0.613 -0.011) 0.742 9.608 ( -0.347 0.694 0.134) 0.788 10.115 ( -2.780 0.921 6.797) 7.401 10.438 ( -4.061 -4.364 -3.104) 6.721 10.799 ( -0.653 -0.412 -0.671) 1.023 10.825 ( -0.651 -0.689 0.071) 0.950 10.868 ( -0.406 0.999 -0.517) 1.196 10.884 ( -0.336 1.597 -0.578) 1.732 10.936 ( -1.261 0.131 2.266) 2.597 10.974 ( -0.034 -0.624 -0.842) 1.049 12.382 ( -0.882 0.194 -0.481) 1.023 12.467 ( -1.352 1.066 -0.001) 1.722 13.023 ( 0.035 0.760 -0.055) 0.763 13.062 ( -1.404 1.824 0.023) 2.302 14.371 ( 1.140 0.459 1.204) 1.721 14.414 ( 1.061 1.008 -2.143) 2.595 14.958 ( -0.541 2.863 3.842) 4.822 15.079 ( -0.144 3.172 -2.575) 4.088 15.811 ( 5.632 0.376 4.074) 6.961 16.046 ( 8.497 -3.172 -7.180) 11.568 16.370 ( 3.058 -0.846 5.646) 6.476 16.520 ( 2.591 0.785 -2.986) 4.031 17.003 ( -0.090 -2.413 -1.219) 2.705 17.094 ( -0.931 -1.663 -0.597) 1.997 17.354 ( -4.387 -1.520 6.498) 7.986 17.414 ( 0.130 5.410 0.835) 5.476 17.717 ( -10.519 -4.288 -8.153) 13.982 17.901 ( -8.277 5.504 2.768) 10.318 18.060 ( -0.444 0.100 1.442) 1.513 18.151 ( -2.837 2.805 0.149) 3.992 18.820 ( -1.672 0.673 -0.571) 1.890 18.833 ( -2.195 0.793 0.481) 2.383 19.625 ( 1.664 -0.895 -0.338) 1.919 19.725 ( -4.325 1.031 3.317) 5.547 20.255 ( 1.598 -7.495 1.228) 7.761 20.364 ( 4.785 -4.880 -5.040) 8.492 21.587 ( -0.886 0.688 -0.090) 1.125 21.587 ( -0.875 0.356 0.098) 0.949 ======================= Grid point 113 (45/110) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 6.186 -1.255 -1.191) 6.423 0.921 ( 9.339 -3.700 2.136) 10.270 1.105 ( -0.303 -3.821 0.705) 3.897 1.116 ( 4.766 -5.252 -0.429) 7.105 1.213 ( 6.203 1.343 -1.583) 6.541 1.298 ( 0.444 -4.166 -0.306) 4.200 1.323 ( -0.780 -0.135 0.309) 0.849 1.423 ( 2.288 -0.336 0.631) 2.397 1.483 ( 4.646 -1.887 -1.109) 5.136 1.519 ( -0.649 2.239 -0.145) 2.336 1.690 ( 0.417 -4.317 -0.163) 4.340 1.701 ( 0.496 -1.492 -0.121) 1.577 1.770 ( -4.234 4.100 1.865) 6.182 1.799 ( -1.360 0.914 1.545) 2.252 1.904 ( 2.454 5.234 -2.255) 6.204 1.954 ( -1.747 -0.172 -1.327) 2.201 1.988 ( 5.204 1.205 2.843) 6.051 2.056 ( -1.988 0.713 -0.378) 2.146 2.106 ( -0.148 -1.222 2.650) 2.922 2.147 ( -0.548 1.291 2.077) 2.506 2.227 ( -0.385 -2.805 0.553) 2.884 2.278 ( -5.726 -4.703 -5.307) 9.114 2.291 ( -1.053 -0.126 -0.493) 1.169 2.325 ( 0.904 -0.935 -0.745) 1.499 3.449 ( -0.141 0.462 0.020) 0.483 3.465 ( -0.897 1.144 -0.054) 1.455 3.686 ( 0.450 0.911 0.087) 1.020 3.699 ( -0.124 1.360 -0.044) 1.366 4.768 ( 0.201 0.205 -0.246) 0.378 4.781 ( -0.404 0.274 0.177) 0.519 5.197 ( -0.171 -0.244 0.291) 0.417 5.217 ( -0.535 -0.420 -0.126) 0.692 6.688 ( 0.412 -0.065 0.052) 0.420 6.728 ( -0.160 0.121 -0.162) 0.258 6.926 ( 0.270 -0.054 -0.238) 0.364 6.941 ( -0.133 -0.220 0.285) 0.384 7.102 ( -0.573 -0.009 0.351) 0.672 7.123 ( -0.422 0.021 -0.446) 0.615 7.668 ( 0.189 0.137 -0.175) 0.292 7.678 ( -0.060 0.217 -0.191) 0.295 8.094 ( -0.367 0.115 -0.021) 0.385 8.098 ( -0.471 0.166 -0.060) 0.503 8.455 ( 0.921 -1.128 0.118) 1.460 8.474 ( 0.318 -0.661 -0.224) 0.767 8.909 ( 0.687 1.120 1.322) 1.864 8.971 ( 0.154 0.648 -1.204) 1.376 9.600 ( -0.312 0.615 0.302) 0.753 9.604 ( -0.039 0.694 -0.162) 0.714 10.088 ( -1.494 0.856 5.705) 5.959 10.363 ( -2.645 -3.152 -4.042) 5.768 10.790 ( -0.180 -0.397 -0.273) 0.514 10.814 ( -0.439 -0.895 -0.248) 1.027 10.860 ( -0.323 1.489 -0.079) 1.525 10.878 ( -0.133 1.071 -0.715) 1.294 10.924 ( -0.637 -0.271 1.973) 2.091 10.970 ( -0.133 -0.505 -0.782) 0.941 12.375 ( 0.102 0.659 0.070) 0.671 12.442 ( -1.200 0.785 -0.395) 1.487 13.024 ( 0.124 0.845 0.002) 0.854 13.041 ( -0.831 1.337 0.028) 1.575 14.390 ( 0.547 0.189 0.802) 0.989 14.428 ( 0.828 0.606 -1.737) 2.017 14.955 ( -0.620 3.149 3.596) 4.820 15.073 ( 0.105 2.954 -2.426) 3.823 15.913 ( 3.565 -0.237 4.310) 5.598 16.162 ( 5.215 -2.944 -8.202) 10.156 16.433 ( 1.718 -2.082 5.596) 6.212 16.557 ( 1.841 0.942 -2.410) 3.175 17.021 ( 2.053 -1.317 -0.624) 2.518 17.075 ( -0.753 -0.076 -1.000) 1.255 17.277 ( -4.232 0.000 5.461) 6.909 17.444 ( 2.187 3.133 1.556) 4.126 17.511 ( -8.401 -2.825 -4.932) 10.143 17.752 ( -6.851 3.516 0.144) 7.702 18.057 ( -0.216 0.214 1.295) 1.330 18.122 ( -0.590 0.610 -1.165) 1.442 18.796 ( -0.724 0.323 -0.365) 0.873 18.800 ( -1.252 0.551 0.355) 1.413 19.632 ( -0.201 -0.304 0.136) 0.389 19.663 ( -2.506 0.859 1.230) 2.921 20.276 ( -0.295 -4.117 6.473) 7.677 20.455 ( 5.247 -6.402 -7.993) 11.507 21.571 ( -0.577 0.267 0.050) 0.637 21.574 ( -0.574 0.390 -0.009) 0.694 ======================= Grid point 114 (46/110) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -1.313 -7.388 1.532) 7.659 1.047 ( 2.090 -3.748 3.408) 5.480 1.088 ( 3.386 -5.144 -0.002) 6.159 1.157 ( 1.654 -3.042 1.598) 3.813 1.257 ( -2.979 -1.555 -0.368) 3.381 1.306 ( 3.394 1.903 -1.609) 4.211 1.343 ( 0.264 -2.789 0.663) 2.879 1.426 ( -1.476 -2.822 -2.440) 4.012 1.507 ( -1.016 3.514 1.031) 3.800 1.577 ( -7.853 -0.307 -3.014) 8.417 1.610 ( 6.953 1.783 1.938) 7.435 1.728 ( 0.153 -2.841 -0.080) 2.847 1.732 ( 0.437 -0.233 0.191) 0.531 1.768 ( -2.156 0.483 0.044) 2.210 1.894 ( -2.386 1.919 -1.869) 3.587 1.954 ( 1.706 1.029 -1.495) 2.491 2.039 ( -0.023 0.856 1.574) 1.792 2.067 ( 1.303 0.872 0.718) 1.725 2.086 ( -1.526 0.920 -0.188) 1.792 2.114 ( -2.574 1.521 0.348) 3.010 2.226 ( -0.101 -2.882 1.547) 3.273 2.252 ( 2.655 -2.756 0.112) 3.828 2.292 ( 1.847 -1.535 -0.531) 2.459 2.322 ( -1.067 -0.489 -1.910) 2.242 3.447 ( -0.194 0.799 0.177) 0.841 3.456 ( 0.171 0.801 -0.209) 0.846 3.692 ( 0.027 0.995 0.104) 1.001 3.696 ( -0.004 1.300 -0.070) 1.302 4.773 ( 0.310 0.165 -0.018) 0.352 4.774 ( -0.299 0.298 -0.068) 0.427 5.197 ( 0.089 -0.238 0.371) 0.450 5.210 ( -0.097 -0.449 -0.202) 0.502 6.697 ( 0.356 0.000 0.498) 0.612 6.722 ( -0.332 -0.151 -0.572) 0.679 6.933 ( 0.370 -0.112 0.074) 0.394 6.936 ( -0.376 -0.187 -0.067) 0.425 7.097 ( -0.004 0.055 0.433) 0.437 7.118 ( 0.061 0.004 -0.479) 0.483 7.671 ( 0.081 0.189 -0.066) 0.216 7.675 ( -0.132 0.194 -0.243) 0.338 8.091 ( -0.017 0.132 -0.019) 0.134 8.093 ( 0.014 0.184 -0.070) 0.197 8.465 ( -0.112 -0.862 0.210) 0.895 8.476 ( 0.108 -1.002 -0.315) 1.056 8.917 ( -0.125 1.258 1.321) 1.828 8.971 ( 0.255 0.634 -1.060) 1.261 9.596 ( -0.167 0.655 0.263) 0.725 9.606 ( 0.281 0.594 -0.121) 0.668 10.085 ( -0.264 0.605 5.777) 5.814 10.324 ( -0.269 -2.245 -4.711) 5.226 10.790 ( 0.225 -0.448 0.049) 0.504 10.807 ( -0.221 -1.076 -0.537) 1.223 10.856 ( -0.078 1.540 0.107) 1.545 10.876 ( 0.078 1.068 -0.679) 1.268 10.920 ( -0.201 -0.454 1.736) 1.805 10.968 ( 0.153 -0.437 -0.743) 0.875 12.384 ( 0.698 0.976 0.709) 1.393 12.422 ( -0.526 0.533 -0.967) 1.223 13.028 ( 0.220 0.970 0.030) 0.995 13.029 ( -0.251 1.064 0.013) 1.093 14.394 ( -0.320 0.239 0.542) 0.674 14.436 ( 0.376 0.266 -1.470) 1.541 14.951 ( -0.653 3.418 3.348) 4.829 15.073 ( 0.480 2.716 -2.200) 3.528 15.954 ( -0.600 -0.614 4.329) 4.413 16.204 ( 1.102 -2.542 -8.301) 8.752 16.451 ( -1.163 -2.407 5.119) 5.775 16.577 ( 0.616 0.735 -1.968) 2.189 17.051 ( 0.170 -0.416 -0.851) 0.962 17.062 ( -0.229 -0.042 -1.204) 1.227 17.234 ( -1.149 0.117 4.474) 4.620 17.410 ( -0.460 -0.865 -3.009) 3.165 17.503 ( 2.852 2.610 4.078) 5.619 17.663 ( -1.150 1.324 -2.899) 3.388 18.057 ( -0.069 0.321 1.276) 1.317 18.114 ( 0.083 -0.024 -1.312) 1.314 18.786 ( -0.291 0.448 0.105) 0.545 18.791 ( 0.304 0.222 -0.116) 0.394 19.627 ( -0.607 0.417 0.891) 1.156 19.647 ( 1.029 0.114 0.227) 1.060 20.260 ( -3.176 -3.068 5.009) 6.678 20.515 ( 2.735 -6.637 -6.095) 9.417 21.565 ( -0.089 0.310 0.103) 0.338 21.569 ( 0.119 0.173 -0.047) 0.215 ======================= Grid point 115 (47/110) ======================= q-point: (-0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -9.126 -5.919 1.488) 10.979 1.048 ( -3.713 -2.356 -1.641) 4.693 1.132 ( -6.311 -2.543 -1.340) 6.935 1.164 ( -1.038 -3.576 2.882) 4.709 1.192 ( -3.005 -1.528 -1.588) 3.726 1.305 ( 0.119 -1.704 0.055) 1.709 1.358 ( 0.987 -0.445 0.424) 1.163 1.387 ( -1.307 -3.429 -0.694) 3.735 1.442 ( -1.606 3.978 0.756) 4.356 1.527 ( -2.984 -1.033 -1.101) 3.344 1.612 ( -6.281 0.809 -2.219) 6.710 1.691 ( 1.609 -1.786 4.334) 4.956 1.756 ( 0.623 0.634 0.052) 0.891 1.817 ( 3.120 0.980 0.832) 3.375 1.883 ( 3.248 2.731 -1.008) 4.362 1.942 ( -2.755 -1.635 -2.666) 4.168 2.034 ( -1.202 2.911 0.442) 3.180 2.063 ( 2.376 0.278 3.599) 4.322 2.107 ( 1.610 -1.036 1.710) 2.567 2.113 ( 0.641 2.413 0.838) 2.634 2.208 ( -1.368 -1.043 0.140) 1.726 2.271 ( -2.158 -0.466 -3.110) 3.814 2.305 ( 1.578 -1.036 -1.049) 2.159 2.358 ( 3.996 -4.954 -1.376) 6.511 3.446 ( 0.126 0.580 0.011) 0.593 3.467 ( 0.876 1.042 -0.045) 1.362 3.687 ( -0.418 0.865 0.093) 0.965 3.699 ( 0.137 1.399 -0.050) 1.406 4.770 ( -0.077 0.335 -0.328) 0.475 4.780 ( 0.280 0.144 0.258) 0.407 5.202 ( 0.255 -0.352 0.444) 0.622 5.213 ( 0.440 -0.357 -0.279) 0.631 6.699 ( -0.385 -0.361 0.166) 0.554 6.718 ( 0.177 0.382 -0.277) 0.504 6.928 ( -0.387 -0.113 -0.286) 0.495 6.940 ( 0.306 -0.134 0.333) 0.472 7.103 ( 0.487 -0.016 0.381) 0.619 7.123 ( 0.545 0.001 -0.478) 0.725 7.671 ( -0.101 0.195 -0.169) 0.277 7.672 ( -0.112 0.246 -0.195) 0.334 8.094 ( 0.377 0.092 -0.005) 0.388 8.098 ( 0.470 0.214 -0.075) 0.522 8.453 ( -0.991 -1.080 0.094) 1.469 8.476 ( -0.264 -0.697 -0.200) 0.771 8.911 ( -0.841 1.056 1.314) 1.884 8.975 ( 0.330 0.519 -1.210) 1.357 9.595 ( 0.088 0.644 0.130) 0.662 9.613 ( 0.460 0.496 -0.034) 0.677 10.106 ( 0.842 0.100 6.974) 7.025 10.332 ( 2.269 -1.614 -5.269) 5.959 10.798 ( 0.580 -0.560 0.220) 0.835 10.803 ( 0.011 -1.319 -0.805) 1.546 10.857 ( 0.190 1.564 0.065) 1.577 10.878 ( 0.290 1.324 -0.620) 1.491 10.923 ( 0.048 -0.503 1.681) 1.755 10.973 ( 0.526 -0.449 -0.646) 0.946 12.398 ( 0.426 0.349 0.474) 0.726 12.423 ( 0.980 1.065 -0.798) 1.653 13.024 ( -0.179 0.859 0.000) 0.877 13.039 ( 0.794 1.350 0.030) 1.566 14.381 ( -1.158 0.598 0.439) 1.375 14.436 ( -0.110 0.161 -1.379) 1.393 14.947 ( -0.560 3.515 3.278) 4.839 15.079 ( 0.653 2.435 -2.100) 3.282 15.911 ( -4.643 -0.699 4.310) 6.373 16.162 ( -3.509 -2.463 -8.362) 9.397 16.418 ( -3.221 -1.248 5.250) 6.284 16.569 ( -0.984 0.009 -1.909) 2.148 17.040 ( -0.268 -0.331 -1.959) 2.005 17.056 ( 0.030 -0.080 0.520) 0.527 17.254 ( 1.732 -0.389 4.648) 4.975 17.423 ( 0.208 2.650 -0.089) 2.659 17.577 ( 5.481 -3.284 -2.877) 7.007 17.733 ( 8.488 4.955 0.369) 9.836 18.060 ( 0.069 0.582 1.388) 1.507 18.119 ( 0.827 -0.535 -1.262) 1.601 18.790 ( 0.692 0.543 -0.111) 0.886 18.806 ( 1.274 0.408 0.098) 1.341 19.626 ( 0.381 0.448 0.291) 0.656 19.695 ( 3.703 -0.532 1.178) 3.922 20.172 ( -6.809 -2.717 2.714) 7.818 20.534 ( 0.693 -7.235 -4.335) 8.463 21.570 ( 0.559 0.440 0.027) 0.712 21.577 ( 0.653 0.226 0.013) 0.691 ======================= Grid point 116 (48/110) ======================= q-point: (-0.30 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -10.712 -3.263 2.580) 11.492 0.848 ( -16.981 -3.575 -4.444) 17.913 0.961 ( -4.203 1.149 -5.795) 7.250 1.088 ( -7.425 2.884 -3.336) 8.636 1.170 ( -2.671 -5.533 4.809) 7.802 1.282 ( -4.146 4.196 0.393) 5.912 1.305 ( -8.871 4.752 -1.734) 10.212 1.343 ( -1.775 -0.861 -0.180) 1.981 1.436 ( 3.489 -2.479 1.734) 4.618 1.523 ( 1.846 -1.051 -1.329) 2.506 1.543 ( -0.059 -2.576 4.078) 4.824 1.715 ( -3.475 3.001 0.838) 4.667 1.746 ( 0.559 -3.573 2.637) 4.476 1.854 ( 1.482 -0.283 -1.168) 1.908 1.901 ( 0.110 -0.059 0.450) 0.467 1.978 ( 3.474 -0.356 1.604) 3.843 2.010 ( -1.126 2.075 -2.242) 3.256 2.086 ( -2.201 1.897 0.720) 2.993 2.117 ( 0.073 -0.574 -0.286) 0.646 2.161 ( 3.155 -0.415 4.313) 5.360 2.188 ( -0.711 -0.673 -0.456) 1.080 2.254 ( 2.713 0.243 0.488) 2.767 2.324 ( 0.376 -1.118 -2.755) 2.996 2.425 ( 4.169 -4.749 -3.927) 7.440 3.452 ( 0.447 0.361 -0.078) 0.580 3.485 ( 0.861 1.344 0.058) 1.597 3.679 ( -0.439 0.637 0.134) 0.785 3.700 ( 0.040 1.504 -0.095) 1.508 4.771 ( 0.243 0.357 -0.464) 0.634 4.785 ( 0.152 0.203 0.438) 0.506 5.209 ( 0.361 -0.466 0.491) 0.768 5.224 ( 0.708 -0.251 -0.337) 0.823 6.689 ( -0.442 -0.245 -0.403) 0.646 6.723 ( 0.224 0.733 0.197) 0.791 6.921 ( -0.173 -0.082 -0.293) 0.350 6.945 ( 0.078 -0.119 0.376) 0.402 7.117 ( 0.782 -0.149 0.216) 0.825 7.136 ( 0.897 0.010 -0.377) 0.973 7.668 ( -0.082 0.162 -0.486) 0.519 7.671 ( 0.097 0.359 -0.001) 0.372 8.105 ( 0.671 0.062 0.036) 0.675 8.109 ( 0.708 0.192 -0.096) 0.740 8.432 ( -1.159 -1.170 0.082) 1.649 8.464 ( -0.869 -0.416 -0.172) 0.979 8.891 ( -1.522 0.750 1.362) 2.176 8.974 ( -0.221 0.059 -1.877) 1.891 9.600 ( 0.362 0.598 0.063) 0.702 9.623 ( 0.472 0.410 -0.064) 0.629 10.149 ( 1.718 -1.057 9.299) 9.515 10.385 ( 4.584 -0.848 -5.425) 7.153 10.803 ( 0.127 -1.579 -0.926) 1.835 10.814 ( 0.952 -0.513 0.179) 1.096 10.863 ( 0.466 1.684 -0.160) 1.755 10.883 ( 0.415 1.553 -0.551) 1.699 10.928 ( 0.032 -0.468 1.621) 1.688 10.984 ( 0.663 -0.552 -0.387) 0.945 12.408 ( 0.804 -0.295 -0.716) 1.116 12.450 ( 1.592 1.541 0.224) 2.227 13.021 ( -0.223 0.823 -0.056) 0.855 13.060 ( 1.317 1.894 0.029) 2.308 14.354 ( -1.669 1.077 0.547) 2.060 14.427 ( -0.447 0.328 -1.485) 1.585 14.945 ( -0.394 3.548 3.452) 4.966 15.085 ( 0.446 2.030 -2.162) 2.999 15.809 ( -6.656 -0.629 4.166) 7.877 16.038 ( -7.069 -1.749 -7.151) 10.206 16.364 ( -3.507 0.083 5.084) 6.177 16.533 ( -2.106 -1.388 -2.555) 3.590 17.036 ( 0.483 -0.862 -3.048) 3.204 17.078 ( 1.812 -1.124 0.950) 2.335 17.306 ( 2.059 -0.773 6.138) 6.521 17.418 ( -0.229 3.610 1.104) 3.782 17.693 ( 7.311 0.082 -6.422) 9.731 17.930 ( 9.395 4.052 1.320) 10.316 18.068 ( 0.469 1.454 1.338) 2.031 18.155 ( 4.060 -0.881 0.360) 4.170 18.813 ( 1.747 0.923 -0.322) 2.002 18.840 ( 2.090 0.876 0.223) 2.277 19.634 ( 0.064 -0.003 -0.363) 0.368 19.779 ( 2.588 -2.132 5.200) 6.187 20.035 ( -5.228 -1.990 -3.419) 6.556 20.532 ( 0.201 -8.597 -2.256) 8.890 21.586 ( 1.073 0.767 -0.000) 1.319 21.591 ( 0.754 0.336 0.003) 0.826 ======================= Grid point 117 (49/110) ======================= q-point: (-0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -17.606 -4.556 -3.955) 18.611 0.506 ( -9.427 1.026 5.296) 10.861 0.848 ( -8.781 2.459 -2.797) 9.538 0.906 ( -6.395 5.610 -7.903) 11.611 1.045 ( -13.648 13.120 4.445) 19.446 1.133 ( -1.530 -1.337 2.746) 3.416 1.294 ( -1.367 -0.247 -0.720) 1.565 1.318 ( 1.037 -0.919 0.047) 1.386 1.428 ( -3.636 4.676 1.904) 6.221 1.522 ( 0.355 -4.105 0.273) 4.129 1.626 ( 1.370 -2.917 0.634) 3.285 1.649 ( -2.183 -1.173 0.206) 2.487 1.745 ( 1.631 0.890 2.481) 3.099 1.849 ( -3.716 -0.572 -4.070) 5.540 1.909 ( 0.711 -1.060 -4.535) 4.711 1.962 ( -3.384 -2.738 4.999) 6.628 1.994 ( -1.161 -3.910 -1.413) 4.317 2.074 ( 1.239 2.437 -0.599) 2.799 2.115 ( 0.368 -0.105 0.311) 0.493 2.153 ( -2.759 -2.376 -1.098) 3.803 2.238 ( 2.722 -0.206 1.721) 3.227 2.298 ( -0.859 -0.765 -3.939) 4.103 2.365 ( 6.362 0.295 5.073) 8.142 2.527 ( 7.677 -0.240 -2.412) 8.051 3.461 ( 0.568 0.321 -0.098) 0.660 3.497 ( 0.254 1.551 0.136) 1.578 3.673 ( -0.193 0.434 0.144) 0.496 3.700 ( -0.119 1.443 -0.161) 1.457 4.776 ( 0.285 0.287 -0.304) 0.506 4.788 ( 0.194 0.505 0.304) 0.621 5.216 ( 0.268 -0.440 0.612) 0.800 5.237 ( 0.694 -0.248 -0.484) 0.881 6.683 ( -0.025 0.263 -0.381) 0.463 6.726 ( 0.083 0.724 0.092) 0.734 6.920 ( 0.078 -0.128 -0.164) 0.222 6.944 ( -0.182 -0.072 0.181) 0.267 7.133 ( 0.906 -0.246 0.071) 0.942 7.154 ( 0.966 0.002 -0.143) 0.976 7.667 ( 0.170 0.193 -0.350) 0.434 7.678 ( 0.630 0.369 -0.125) 0.741 8.118 ( 0.646 0.069 0.097) 0.657 8.123 ( 0.721 0.107 -0.144) 0.743 8.412 ( -0.890 -1.067 0.128) 1.395 8.444 ( -1.148 -0.346 -0.168) 1.211 8.858 ( -2.209 0.601 1.253) 2.609 8.950 ( -1.952 -0.811 -3.126) 3.773 9.608 ( 0.488 0.540 0.081) 0.732 9.630 ( 0.329 0.380 -0.165) 0.529 10.214 ( 2.242 -3.814 12.246) 13.021 10.487 ( 7.443 0.114 -4.398) 8.646 10.804 ( 0.286 -1.220 -0.791) 1.482 10.835 ( 1.196 -0.342 0.109) 1.248 10.875 ( 0.903 2.118 -0.494) 2.355 10.890 ( 0.345 1.377 -0.453) 1.490 10.929 ( -0.314 -0.273 1.294) 1.359 10.994 ( 0.433 -0.775 0.067) 0.891 12.427 ( 1.455 -0.306 -1.111) 1.856 12.481 ( 1.452 1.492 0.530) 2.148 13.015 ( -0.368 1.090 -0.033) 1.151 13.089 ( 1.628 2.539 -0.137) 3.019 14.323 ( -1.636 1.461 0.887) 2.365 14.413 ( -0.477 0.640 -1.687) 1.867 14.947 ( -0.345 3.602 3.701) 5.176 15.085 ( 0.046 1.590 -2.145) 2.670 15.690 ( -6.274 -0.341 3.591) 7.237 15.879 ( -7.432 -0.506 -5.018) 8.982 16.310 ( -3.194 0.751 4.346) 5.445 16.477 ( -2.962 -2.784 -3.754) 5.533 17.043 ( 0.981 -1.438 -3.675) 4.067 17.109 ( 0.829 -5.553 -0.292) 5.622 17.364 ( 2.913 3.516 7.397) 8.693 17.428 ( 0.747 4.836 2.121) 5.333 17.822 ( 7.633 3.383 -5.407) 9.947 18.029 ( 1.730 0.316 -0.089) 1.761 18.082 ( 0.638 2.036 -0.415) 2.174 18.304 ( 8.827 1.326 5.496) 10.483 18.857 ( 3.101 1.798 -0.676) 3.648 18.884 ( 2.401 1.630 0.157) 2.906 19.583 ( -7.213 -3.136 0.511) 7.882 19.731 ( -5.527 1.705 4.163) 7.126 20.085 ( 10.249 -4.972 -7.850) 13.834 20.547 ( 1.850 -10.759 1.103) 10.973 21.604 ( 0.590 0.424 -0.055) 0.729 21.608 ( 1.151 1.092 0.053) 1.588 ======================= Grid point 118 (50/110) ======================= q-point: (-0.10 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( -8.572 5.687 -0.485) 10.299 0.392 ( -3.913 4.780 13.029) 14.419 0.636 ( -10.313 5.227 -0.831) 11.592 0.803 ( -10.320 14.242 8.498) 19.534 0.848 ( -0.942 8.359 -7.976) 11.592 1.127 ( 0.206 1.610 1.407) 2.148 1.240 ( -3.389 2.100 -0.161) 3.990 1.342 ( -0.955 0.928 3.733) 3.963 1.385 ( 0.363 1.186 -1.932) 2.296 1.504 ( -1.337 -1.982 -1.347) 2.744 1.603 ( -2.978 -1.076 1.470) 3.491 1.617 ( -0.487 -1.872 -1.168) 2.259 1.723 ( -3.936 2.388 -10.062) 11.066 1.803 ( -5.941 -0.481 1.925) 6.264 1.875 ( 4.582 -3.229 -2.583) 6.172 1.914 ( -4.936 -5.779 -0.773) 7.639 1.979 ( -5.618 -6.485 -1.279) 8.675 2.029 ( -0.059 -3.121 -2.830) 4.214 2.107 ( 1.236 -0.264 0.660) 1.425 2.159 ( 0.841 2.316 2.116) 3.248 2.233 ( -0.996 0.679 -4.126) 4.298 2.319 ( 1.993 1.477 0.600) 2.552 2.499 ( 5.088 -0.026 8.450) 9.864 2.709 ( 10.953 1.328 -1.154) 11.093 3.472 ( 0.552 0.555 -0.019) 0.783 3.495 ( -0.438 1.465 0.079) 1.531 3.673 ( 0.132 0.395 0.197) 0.461 3.695 ( -0.240 1.171 -0.162) 1.206 4.779 ( 0.172 0.501 -0.015) 0.530 4.793 ( 0.200 0.705 -0.202) 0.761 5.221 ( 0.027 -0.278 0.703) 0.756 5.247 ( 0.477 -0.319 -0.619) 0.844 6.686 ( 0.327 0.787 0.029) 0.852 6.727 ( -0.000 0.453 -0.236) 0.511 6.923 ( 0.174 -0.260 0.006) 0.313 6.939 ( -0.312 0.009 -0.114) 0.332 7.151 ( 0.859 -0.215 0.096) 0.890 7.170 ( 0.675 -0.220 0.144) 0.725 7.674 ( 0.536 0.239 0.246) 0.636 7.694 ( 0.968 0.107 -0.253) 1.006 8.128 ( 0.354 0.082 0.111) 0.380 8.134 ( 0.462 0.023 -0.169) 0.492 8.400 ( -0.372 -0.846 0.202) 0.946 8.422 ( -0.915 -0.495 -0.218) 1.063 8.816 ( -2.160 0.787 0.603) 2.377 8.877 ( -4.557 -0.625 -3.271) 5.644 9.618 ( 0.407 0.515 0.147) 0.672 9.634 ( 0.064 0.459 -0.171) 0.494 10.283 ( 1.307 -8.268 14.167) 16.455 10.642 ( 7.957 -3.798 -4.884) 10.079 10.819 ( 1.735 -0.004 0.735) 1.884 10.859 ( 1.309 -0.067 0.058) 1.312 10.892 ( 0.157 1.118 -0.625) 1.290 10.907 ( 3.306 3.577 -0.202) 4.875 10.919 ( -1.037 0.270 0.570) 1.213 10.998 ( -0.158 -1.092 0.412) 1.178 12.459 ( 2.015 0.190 -0.604) 2.112 12.504 ( 0.664 1.110 0.436) 1.365 13.012 ( 0.361 1.950 0.937) 2.193 13.118 ( 1.522 2.987 -1.329) 3.606 14.300 ( -0.921 1.611 1.408) 2.329 14.403 ( -0.128 0.825 -1.837) 2.018 14.949 ( -0.349 3.727 3.763) 5.308 15.080 ( 0.064 1.482 -1.649) 2.218 15.599 ( -3.629 0.728 2.687) 4.574 15.747 ( -4.791 0.343 -3.313) 5.835 16.266 ( -2.115 0.996 3.080) 3.867 16.398 ( -4.121 -2.652 -4.194) 6.450 17.054 ( 1.025 -2.188 -3.678) 4.400 17.100 ( -1.368 -8.642 -0.675) 8.776 17.437 ( -0.363 0.800 6.357) 6.418 17.480 ( 7.111 13.614 1.276) 15.412 17.983 ( 11.205 2.811 -0.376) 11.559 18.045 ( 0.323 -0.332 0.383) 0.602 18.087 ( 0.286 1.163 -1.515) 1.931 18.423 ( 0.252 -1.183 7.191) 7.292 18.918 ( 2.024 1.733 0.291) 2.680 18.933 ( 2.986 2.881 -1.010) 4.270 19.415 ( -6.280 0.547 0.466) 6.321 19.645 ( -5.003 5.561 -4.338) 8.647 20.280 ( 9.355 -11.928 -1.560) 15.239 20.603 ( 2.213 -13.693 2.691) 14.129 21.614 ( 0.450 0.539 -0.064) 0.705 21.626 ( 0.443 0.923 0.140) 1.033 ======================= Grid point 119 (51/110) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 1.980 8.770 10.918) 14.144 0.626 ( 7.610 16.475 -2.972) 18.390 0.661 ( -3.025 12.382 -2.927) 13.078 0.981 ( 0.561 10.285 2.227) 10.538 1.049 ( 1.983 11.254 4.463) 12.268 1.149 ( -3.150 -0.894 -4.571) 5.623 1.230 ( -0.822 3.363 0.581) 3.510 1.341 ( -1.257 -0.131 0.920) 1.563 1.397 ( -0.330 -0.067 -2.071) 2.098 1.460 ( 0.122 -0.950 -1.032) 1.408 1.513 ( -2.629 -2.827 4.325) 5.797 1.590 ( -0.428 0.842 -0.553) 1.094 1.668 ( -0.811 -0.179 -1.728) 1.917 1.686 ( 0.402 -6.147 -0.577) 6.187 1.753 ( -1.253 1.862 -4.185) 4.749 1.828 ( -1.516 -0.895 -5.746) 6.009 1.913 ( 3.459 -4.349 1.756) 5.828 1.981 ( 2.325 -4.748 -1.311) 5.447 2.104 ( -0.694 -0.015 0.889) 1.128 2.184 ( -0.084 0.543 -3.079) 3.127 2.246 ( -1.327 1.943 4.906) 5.441 2.370 ( 0.882 0.605 1.060) 1.506 2.541 ( 0.043 -3.027 6.450) 7.125 2.768 ( 0.517 -5.591 -5.369) 7.769 3.507 ( -0.228 1.608 0.171) 1.633 3.513 ( 0.216 1.422 -0.053) 1.439 3.692 ( -0.011 1.092 0.369) 1.153 3.711 ( -0.009 1.042 -0.446) 1.134 4.802 ( 0.026 0.781 -0.106) 0.788 4.804 ( 0.017 0.768 -0.142) 0.781 5.218 ( -0.110 -0.156 0.540) 0.573 5.242 ( 0.132 -0.615 -0.499) 0.803 6.716 ( 0.028 1.336 0.188) 1.349 6.735 ( 0.079 0.647 -0.397) 0.763 6.920 ( 0.079 -0.040 0.367) 0.377 6.936 ( -0.192 0.215 -0.453) 0.537 7.156 ( 0.048 -0.620 0.218) 0.659 7.164 ( -0.002 -0.675 -0.069) 0.678 7.684 ( -0.272 0.141 0.404) 0.507 7.697 ( 0.159 -0.444 0.244) 0.531 8.134 ( -0.020 0.129 0.089) 0.158 8.137 ( -0.032 -0.028 -0.022) 0.048 8.384 ( 0.068 -0.708 0.291) 0.769 8.396 ( -0.060 -0.854 -0.241) 0.889 8.829 ( 0.177 1.371 -0.110) 1.387 8.832 ( 0.049 1.318 -0.383) 1.373 9.637 ( 0.135 0.818 0.117) 0.838 9.646 ( -0.128 0.787 -0.161) 0.813 10.224 ( -0.976 -0.879 9.376) 9.468 10.551 ( -0.199 -7.214 -6.082) 9.438 10.827 ( -0.055 -0.888 0.706) 1.136 10.861 ( 0.132 -1.048 -0.709) 1.272 10.905 ( -1.019 0.686 0.269) 1.257 10.918 ( 0.627 0.554 -0.108) 0.844 10.966 ( -0.619 -0.992 0.170) 1.182 10.993 ( 1.539 -0.982 -1.338) 2.263 12.507 ( -0.283 0.767 0.213) 0.844 12.512 ( 0.208 0.596 0.134) 0.646 13.072 ( 0.166 2.124 1.685) 2.716 13.154 ( 0.207 -0.032 -2.210) 2.220 14.336 ( 0.017 2.374 1.611) 2.869 14.421 ( 0.270 1.112 -2.130) 2.418 15.034 ( -0.172 3.708 2.724) 4.604 15.112 ( 0.833 0.799 -0.594) 1.298 15.638 ( 0.046 4.347 2.205) 4.875 15.722 ( 0.303 2.227 -1.111) 2.507 16.251 ( -0.731 0.069 1.395) 1.576 16.332 ( 0.939 -1.084 -1.861) 2.350 16.963 ( -0.327 -3.206 0.137) 3.226 17.033 ( 0.467 -0.879 -3.379) 3.523 17.427 ( -1.264 -1.304 6.518) 6.766 17.749 ( 1.148 3.437 -8.593) 9.326 18.032 ( -0.006 -1.122 1.664) 2.007 18.079 ( -0.444 0.042 -1.125) 1.211 18.184 ( -2.427 -6.240 2.994) 7.335 18.219 ( 4.627 -2.879 1.157) 5.571 18.959 ( -0.724 1.052 0.823) 1.519 18.976 ( -0.503 1.972 0.029) 2.035 19.566 ( 0.792 7.013 -0.224) 7.061 19.680 ( 0.710 4.893 -8.233) 9.604 20.147 ( 0.577 -6.889 9.766) 11.965 20.342 ( -3.675 -11.026 -1.521) 11.722 21.627 ( -0.605 0.239 0.311) 0.721 21.635 ( 0.416 0.447 -0.058) 0.613 ======================= Grid point 120 (52/110) ======================= q-point: ( 0.10 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.507 9.482 -6.068) 11.269 0.647 ( 4.019 7.858 9.609) 13.047 0.794 ( 5.525 15.154 0.155) 16.131 1.022 ( -1.625 5.123 0.962) 5.460 1.071 ( 5.560 4.215 -7.797) 10.463 1.170 ( 2.247 5.348 6.437) 8.665 1.212 ( 1.792 2.567 -2.725) 4.150 1.321 ( -0.491 3.153 4.342) 5.389 1.388 ( -1.240 -1.159 -1.562) 2.307 1.456 ( 0.712 -3.334 -0.399) 3.432 1.499 ( 0.270 -1.097 1.112) 1.585 1.588 ( 0.834 0.594 -1.508) 1.823 1.667 ( -0.453 0.060 -1.216) 1.299 1.740 ( 2.148 -4.751 1.276) 5.368 1.771 ( 6.019 -3.946 -2.063) 7.487 1.839 ( 3.388 1.768 -2.209) 4.414 1.983 ( 3.726 -3.879 -1.011) 5.473 2.001 ( 0.335 -4.272 -2.942) 5.197 2.102 ( 0.427 -0.875 2.343) 2.537 2.156 ( -2.181 2.121 -3.186) 4.405 2.236 ( -1.004 1.040 5.371) 5.562 2.372 ( -0.935 0.691 -0.082) 1.165 2.512 ( -4.103 -2.856 5.144) 7.173 2.681 ( -7.567 -4.637 -4.528) 9.963 3.492 ( -0.785 1.514 0.029) 1.706 3.526 ( 0.510 1.419 0.084) 1.510 3.688 ( -0.267 1.150 0.197) 1.197 3.718 ( 0.551 1.007 -0.262) 1.177 4.791 ( -0.599 0.812 -0.108) 1.015 4.808 ( -0.022 0.621 -0.012) 0.621 5.214 ( -0.431 -0.162 0.410) 0.616 5.241 ( -0.190 -0.641 -0.380) 0.769 6.708 ( -0.742 0.967 0.028) 1.219 6.739 ( 0.294 0.892 -0.271) 0.977 6.923 ( 0.182 -0.047 0.467) 0.503 6.931 ( -0.184 0.167 -0.501) 0.559 7.146 ( -0.866 -0.517 0.079) 1.011 7.163 ( -0.303 -0.581 -0.031) 0.656 7.675 ( -0.546 0.139 0.081) 0.569 7.697 ( -0.293 -0.171 0.338) 0.479 8.130 ( -0.384 0.157 0.099) 0.427 8.133 ( -0.349 0.018 -0.039) 0.351 8.386 ( 0.202 -0.771 0.203) 0.823 8.407 ( 1.013 -0.900 -0.162) 1.365 8.834 ( 1.244 1.564 -0.039) 1.999 8.880 ( 3.432 0.028 -0.709) 3.505 9.636 ( -0.270 0.797 0.233) 0.873 9.641 ( -0.374 0.839 -0.246) 0.951 10.212 ( -2.435 -0.057 8.814) 9.144 10.502 ( -2.943 -5.790 -5.564) 8.552 10.818 ( -0.839 -0.860 0.542) 1.318 10.856 ( -0.760 -0.882 -0.346) 1.214 10.881 ( -0.862 0.638 0.026) 1.073 10.932 ( 0.244 0.554 -0.013) 0.605 10.956 ( -0.239 -0.754 -0.595) 0.990 10.997 ( -0.745 -0.724 -0.187) 1.056 12.464 ( -2.640 0.898 -0.074) 2.789 12.523 ( -0.142 0.588 0.312) 0.681 13.065 ( -0.890 2.047 0.840) 2.385 13.150 ( -0.463 0.356 -1.287) 1.413 14.348 ( 0.722 2.040 1.578) 2.679 14.422 ( 0.442 1.275 -2.263) 2.635 15.030 ( -0.664 3.666 2.506) 4.490 15.132 ( 1.116 0.962 -0.773) 1.664 15.658 ( 2.005 3.414 2.169) 4.515 15.766 ( 4.012 1.855 -1.577) 4.692 16.260 ( 1.324 0.318 1.740) 2.209 16.381 ( 4.058 -1.852 -1.981) 4.881 16.963 ( 0.161 -2.948 -0.276) 2.965 17.030 ( 0.200 -1.250 -2.709) 2.990 17.404 ( -2.632 -1.334 6.561) 7.194 17.712 ( -2.848 5.422 -5.147) 8.000 17.979 ( -7.297 -4.906 -1.705) 8.957 18.056 ( -1.826 -0.885 -1.744) 2.675 18.071 ( -0.283 0.337 -0.489) 0.658 18.406 ( 4.094 -4.973 6.629) 9.243 18.941 ( -1.329 0.975 -0.021) 1.648 18.947 ( -2.441 1.889 -0.080) 3.088 19.519 ( -1.408 8.221 -0.903) 8.390 19.757 ( 5.904 0.194 -4.594) 7.483 20.095 ( -6.262 -2.599 1.184) 6.883 20.267 ( -3.476 -11.308 3.683) 12.390 21.618 ( -0.352 0.439 -0.037) 0.563 21.638 ( -0.266 0.511 0.225) 0.619 ======================= Grid point 121 (53/110) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 7.038 2.475 -6.412) 9.837 0.722 ( 0.998 7.300 6.682) 9.947 0.908 ( 6.904 9.662 4.519) 12.706 0.967 ( -0.199 3.165 -11.362) 11.797 1.149 ( -0.613 1.771 -1.858) 2.639 1.201 ( 2.719 -2.314 -2.941) 4.626 1.263 ( 3.443 2.890 0.177) 4.498 1.356 ( -0.810 -0.735 -0.538) 1.219 1.399 ( 1.667 0.484 3.563) 3.963 1.465 ( 3.995 -1.186 8.483) 9.451 1.540 ( 2.223 1.125 0.690) 2.585 1.596 ( 0.327 -2.118 -2.363) 3.190 1.676 ( 2.066 -0.487 -0.317) 2.146 1.799 ( 3.422 -2.548 1.377) 4.483 1.868 ( 4.065 -0.165 -2.412) 4.730 1.919 ( 4.002 -1.811 0.993) 4.503 1.995 ( 0.388 -2.451 -1.760) 3.043 2.065 ( 4.593 -2.484 -1.624) 5.468 2.090 ( -3.050 1.613 -1.498) 3.761 2.130 ( 1.294 -1.891 1.802) 2.915 2.222 ( -1.919 0.445 3.453) 3.975 2.336 ( -2.459 0.827 -0.496) 2.642 2.428 ( -4.916 -1.233 1.717) 5.351 2.494 ( -9.999 -3.757 -3.348) 11.194 3.479 ( -0.622 1.355 0.001) 1.491 3.527 ( -0.438 1.304 0.062) 1.377 3.688 ( 0.304 1.285 0.157) 1.329 3.726 ( 0.324 1.187 -0.145) 1.239 4.781 ( -0.414 0.671 -0.141) 0.801 4.803 ( -0.423 0.434 0.127) 0.619 5.205 ( -0.518 -0.214 0.249) 0.614 5.233 ( -0.551 -0.630 -0.209) 0.863 6.694 ( -0.606 0.760 -0.162) 0.985 6.742 ( -0.008 0.717 -0.063) 0.719 6.926 ( -0.084 0.187 -0.305) 0.368 6.929 ( 0.173 -0.327 0.323) 0.491 7.129 ( -0.884 -0.307 0.069) 0.938 7.151 ( -0.815 -0.436 -0.168) 0.940 7.668 ( -0.105 0.182 -0.185) 0.280 7.690 ( -0.406 0.111 0.239) 0.484 8.120 ( -0.638 0.183 0.078) 0.669 8.124 ( -0.575 0.084 -0.042) 0.583 8.395 ( 0.711 -0.819 0.111) 1.090 8.429 ( 1.185 -1.006 -0.101) 1.558 8.868 ( 2.030 1.357 0.387) 2.473 8.938 ( 2.523 -0.581 -1.041) 2.791 9.629 ( -0.456 0.794 0.295) 0.962 9.632 ( -0.427 0.878 -0.264) 1.011 10.177 ( -2.926 1.056 7.005) 7.665 10.427 ( -3.505 -4.818 -4.257) 7.323 10.803 ( -0.794 -0.686 0.107) 1.055 10.834 ( -1.231 -0.396 -0.006) 1.293 10.874 ( -0.071 0.027 -0.250) 0.261 10.925 ( -0.656 0.917 -0.335) 1.176 10.956 ( 0.255 -0.989 -0.701) 1.239 10.974 ( -1.538 0.236 0.794) 1.747 12.419 ( -1.862 1.030 -0.258) 2.144 12.511 ( -1.127 0.548 0.310) 1.291 13.053 ( -0.435 1.973 0.176) 2.028 13.128 ( -1.559 1.117 -0.433) 1.966 14.368 ( 0.920 1.571 1.206) 2.184 14.427 ( 0.617 1.235 -2.034) 2.458 15.026 ( -0.335 3.810 2.638) 4.646 15.144 ( 0.366 1.936 -1.420) 2.428 15.729 ( 4.522 2.520 2.899) 5.933 15.860 ( 6.302 -0.274 -3.177) 7.063 16.305 ( 2.549 0.366 2.668) 3.708 16.457 ( 3.986 -1.792 -2.321) 4.948 16.965 ( 0.169 -1.958 -0.712) 2.091 17.034 ( 0.728 -2.319 -1.453) 2.832 17.361 ( -3.323 -1.886 6.280) 7.351 17.635 ( -3.991 7.732 -1.566) 8.841 17.810 ( -8.737 -5.339 -6.779) 12.280 18.032 ( -1.400 0.181 -0.916) 1.683 18.067 ( -0.219 0.308 0.271) 0.466 18.366 ( -8.443 0.507 7.171) 11.089 18.890 ( -2.962 1.669 -0.621) 3.456 18.902 ( -2.658 0.976 -0.157) 2.836 19.560 ( 4.452 3.702 0.006) 5.790 19.813 ( -1.425 0.862 3.148) 3.562 20.020 ( 1.880 -7.160 -10.650) 12.970 20.224 ( -1.838 -8.380 6.430) 10.721 21.610 ( -0.551 0.494 -0.117) 0.750 21.624 ( -1.130 0.646 0.221) 1.320 ======================= Grid point 122 (54/110) ======================= q-point: ( 0.30 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 3.108 3.599 4.571) 6.596 0.784 ( 10.090 -3.605 -4.436) 11.597 0.921 ( -0.308 0.887 -7.439) 7.498 1.047 ( 0.444 -0.950 0.974) 1.431 1.173 ( 6.359 6.121 -1.680) 8.985 1.196 ( -0.313 -4.611 -2.877) 5.444 1.326 ( -0.697 -3.806 3.369) 5.131 1.369 ( 2.684 -0.037 -2.153) 3.441 1.389 ( 1.070 -0.194 2.133) 2.395 1.533 ( -0.059 -2.554 1.736) 3.088 1.594 ( -0.276 -3.263 -1.126) 3.463 1.638 ( 5.461 1.549 5.170) 7.678 1.738 ( 4.561 2.014 1.266) 5.144 1.875 ( 3.036 -0.367 -0.570) 3.111 1.922 ( 2.534 0.476 -1.071) 2.792 1.965 ( -0.383 -2.224 2.548) 3.403 2.004 ( 1.903 4.427 -0.820) 4.888 2.054 ( -0.757 -2.454 0.027) 2.569 2.118 ( -0.315 1.112 0.331) 1.202 2.162 ( 1.803 -5.122 -1.035) 5.527 2.167 ( -4.408 -0.819 2.235) 5.010 2.290 ( -2.062 -0.191 -2.536) 3.274 2.322 ( -5.378 -1.755 -0.752) 5.707 2.344 ( -3.825 -0.324 -0.956) 3.955 3.469 ( -0.406 1.179 0.001) 1.247 3.511 ( -1.132 1.180 0.000) 1.635 3.699 ( 0.652 1.443 0.172) 1.593 3.730 ( 0.070 1.404 -0.103) 1.409 4.775 ( -0.176 0.510 -0.203) 0.577 4.795 ( -0.444 0.321 0.188) 0.579 5.196 ( -0.400 -0.270 0.157) 0.508 5.220 ( -0.714 -0.612 -0.095) 0.945 6.686 ( -0.096 0.470 -0.147) 0.502 6.738 ( -0.368 0.292 -0.004) 0.469 6.924 ( -0.014 0.001 -0.410) 0.410 6.934 ( 0.105 -0.388 0.455) 0.607 7.113 ( -0.725 -0.108 0.177) 0.754 7.134 ( -0.786 -0.261 -0.314) 0.886 7.669 ( 0.171 0.243 -0.211) 0.364 7.685 ( -0.185 0.199 0.104) 0.291 8.108 ( -0.625 0.212 0.048) 0.662 8.112 ( -0.625 0.158 -0.038) 0.645 8.412 ( 1.058 -0.887 0.061) 1.382 8.448 ( 0.770 -1.082 -0.091) 1.331 8.906 ( 1.658 1.240 0.682) 2.180 8.969 ( 1.107 -0.239 -0.947) 1.477 9.621 ( -0.410 0.848 0.130) 0.951 9.625 ( -0.291 0.894 -0.079) 0.943 10.139 ( -2.424 1.560 5.306) 6.038 10.353 ( -3.035 -4.055 -3.490) 6.151 10.790 ( -0.505 -0.457 -0.261) 0.729 10.813 ( -0.867 -0.481 -0.079) 0.994 10.873 ( -0.015 0.029 -0.237) 0.239 10.911 ( -0.615 0.907 -0.446) 1.183 10.947 ( -1.443 0.685 1.216) 2.008 10.958 ( 0.031 -1.061 -0.623) 1.231 12.395 ( -0.588 1.173 -0.164) 1.322 12.486 ( -1.457 0.616 0.175) 1.591 13.048 ( -0.126 1.699 0.033) 1.704 13.095 ( -1.636 1.377 -0.144) 2.143 14.386 ( 0.760 1.096 0.817) 1.564 14.435 ( 0.610 0.969 -1.635) 1.996 15.028 ( -0.127 4.118 2.754) 4.956 15.142 ( -0.047 2.751 -1.918) 3.354 15.831 ( 4.875 1.761 3.609) 6.316 15.983 ( 7.040 -2.783 -4.710) 8.915 16.362 ( 2.479 0.127 3.612) 4.383 16.518 ( 3.030 -1.172 -2.752) 4.258 16.971 ( 0.864 -0.826 -0.285) 1.229 17.049 ( 1.017 -2.267 -0.650) 2.568 17.311 ( -3.196 -2.155 5.174) 6.452 17.560 ( -3.393 5.368 -0.658) 6.385 17.619 ( -8.982 -2.590 -6.150) 11.190 17.968 ( -6.048 1.463 0.524) 6.244 18.064 ( -0.229 0.360 0.731) 0.846 18.206 ( -7.150 1.496 2.774) 7.814 18.837 ( -2.251 1.007 -0.601) 2.538 18.850 ( -2.459 0.928 0.266) 2.642 19.625 ( 1.676 1.335 -0.084) 2.144 19.748 ( -4.364 1.253 1.935) 4.936 20.094 ( 5.669 -8.050 -3.249) 10.368 20.241 ( 2.568 -7.316 0.774) 7.793 21.595 ( -0.958 0.396 -0.060) 1.039 21.601 ( -1.205 0.568 0.109) 1.337 ======================= Grid point 123 (55/110) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 6.002 -1.509 2.052) 6.520 0.908 ( 1.543 0.316 1.603) 2.247 0.947 ( 4.502 -8.974 -3.610) 10.670 1.016 ( -0.349 -4.108 -0.330) 4.136 1.177 ( -0.161 -6.928 -1.785) 7.156 1.275 ( -0.768 -2.369 0.375) 2.519 1.286 ( 0.591 -0.224 -2.361) 2.444 1.398 ( 0.644 -1.262 -1.833) 2.316 1.506 ( 7.445 3.627 3.792) 9.108 1.537 ( 1.636 -0.507 2.095) 2.706 1.594 ( 0.735 -4.283 -0.374) 4.361 1.707 ( 2.217 1.380 -0.986) 2.791 1.806 ( -2.768 0.101 1.666) 3.232 1.847 ( -1.714 3.297 0.587) 3.762 1.960 ( -1.520 -0.151 -1.324) 2.022 1.971 ( -2.223 -0.094 0.847) 2.381 2.022 ( 2.135 0.967 0.777) 2.469 2.049 ( -0.120 -1.126 -0.655) 1.308 2.076 ( 1.470 -0.641 1.024) 1.903 2.130 ( 0.211 -1.939 -0.277) 1.970 2.176 ( -0.813 -2.510 0.482) 2.682 2.233 ( -2.421 1.501 0.127) 2.852 2.284 ( -1.549 -0.517 -0.883) 1.856 2.305 ( 0.654 -1.141 -1.761) 2.198 3.464 ( -0.018 1.066 0.033) 1.067 3.488 ( -1.105 1.086 -0.060) 1.551 3.711 ( 0.557 1.550 0.175) 1.656 3.729 ( -0.101 1.569 -0.110) 1.576 4.774 ( 0.104 0.385 -0.131) 0.420 4.788 ( -0.370 0.315 0.099) 0.495 5.191 ( -0.141 -0.304 0.140) 0.363 5.207 ( -0.575 -0.596 -0.066) 0.831 6.689 ( 0.365 0.179 0.045) 0.409 6.728 ( -0.615 -0.141 -0.141) 0.646 6.925 ( 0.168 -0.125 -0.211) 0.297 6.934 ( -0.112 -0.408 0.260) 0.497 7.103 ( -0.424 0.065 0.305) 0.526 7.122 ( -0.412 -0.146 -0.401) 0.593 7.672 ( 0.232 0.278 -0.116) 0.381 7.682 ( -0.106 0.215 -0.004) 0.239 8.098 ( -0.344 0.238 0.031) 0.420 8.102 ( -0.438 0.219 -0.037) 0.491 8.433 ( 1.012 -0.964 0.059) 1.399 8.456 ( 0.096 -1.119 -0.103) 1.128 8.933 ( 0.899 1.239 0.812) 1.732 8.980 ( 0.308 0.188 -0.823) 0.899 9.615 ( -0.252 0.903 0.192) 0.957 9.620 ( -0.095 0.893 -0.146) 0.910 10.112 ( -1.473 1.597 4.350) 4.862 10.298 ( -1.760 -3.218 -3.240) 4.894 10.783 ( -0.111 -0.295 -0.317) 0.447 10.799 ( -0.573 -0.599 -0.276) 0.873 10.873 ( 0.060 0.256 -0.135) 0.296 10.900 ( -0.380 0.717 -0.473) 0.939 10.927 ( -0.941 0.655 1.390) 1.801 10.956 ( -0.038 -0.975 -0.612) 1.152 12.394 ( 0.438 1.326 0.114) 1.401 12.458 ( -1.400 0.719 -0.083) 1.575 13.048 ( 0.064 1.430 0.014) 1.431 13.068 ( -1.078 1.327 -0.054) 1.711 14.400 ( 0.406 0.780 0.608) 1.070 14.442 ( 0.392 0.640 -1.344) 1.539 15.032 ( -0.174 4.448 2.649) 5.180 15.136 ( -0.036 3.084 -2.015) 3.684 15.918 ( 2.934 0.892 3.726) 4.826 16.091 ( 4.991 -3.905 -5.468) 8.370 16.408 ( 1.130 -0.353 4.238) 4.401 16.559 ( 1.920 -0.828 -3.108) 3.746 17.002 ( 2.182 -0.553 0.418) 2.289 17.064 ( 0.540 -0.861 -0.273) 1.052 17.265 ( -2.619 -1.060 3.530) 4.521 17.436 ( -6.644 -4.519 -5.196) 9.569 17.540 ( 0.347 6.060 1.371) 6.223 17.810 ( -9.091 1.899 0.785) 9.321 18.063 ( -0.093 0.401 0.841) 0.936 18.131 ( -1.727 0.092 -0.470) 1.793 18.804 ( -1.036 0.538 -0.280) 1.201 18.813 ( -1.451 0.673 0.221) 1.615 19.635 ( -0.004 0.712 0.081) 0.716 19.681 ( -2.742 0.866 0.662) 2.950 20.178 ( 2.376 -5.393 3.360) 6.783 20.306 ( 4.056 -8.171 -4.310) 10.089 21.577 ( -0.711 0.278 -0.001) 0.763 21.581 ( -0.805 0.295 0.024) 0.858 ======================= Grid point 124 (56/110) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -3.080 -5.618 -0.084) 6.407 0.955 ( 1.310 -6.360 -2.356) 6.908 1.015 ( 2.569 -1.375 5.944) 6.620 1.070 ( 4.795 -6.184 3.500) 8.572 1.161 ( -1.697 -6.987 -1.211) 7.292 1.271 ( 2.215 -4.611 -1.577) 5.353 1.301 ( 0.983 -2.555 -4.302) 5.099 1.384 ( -2.372 0.166 -1.528) 2.826 1.509 ( -2.184 -2.488 0.478) 3.345 1.584 ( -3.085 -0.615 -2.648) 4.112 1.657 ( -2.214 1.789 4.713) 5.506 1.731 ( 6.055 4.345 1.288) 7.564 1.753 ( 1.109 1.100 -0.161) 1.570 1.806 ( -2.244 3.033 1.693) 4.135 1.900 ( -3.382 -1.337 -2.018) 4.159 1.947 ( 0.510 -1.328 -3.021) 3.340 2.041 ( -1.446 -1.891 0.238) 2.392 2.056 ( 0.462 0.742 -0.337) 0.937 2.115 ( 1.372 0.650 1.033) 1.836 2.157 ( 0.842 0.524 0.749) 1.242 2.173 ( 1.132 -1.465 2.354) 2.995 2.207 ( -0.023 0.019 1.120) 1.120 2.262 ( -0.236 -1.473 -1.238) 1.938 2.309 ( -0.243 -0.831 -2.172) 2.338 3.466 ( -0.135 1.087 0.162) 1.107 3.474 ( 0.120 1.000 -0.196) 1.026 3.718 ( -0.039 1.531 0.227) 1.548 3.727 ( 0.054 1.680 -0.175) 1.690 4.778 ( 0.262 0.287 0.064) 0.394 4.781 ( -0.255 0.379 -0.102) 0.468 5.192 ( 0.070 -0.315 0.208) 0.384 5.199 ( -0.087 -0.599 -0.131) 0.620 6.697 ( 0.268 0.030 0.391) 0.475 6.717 ( -0.269 -0.311 -0.472) 0.626 6.929 ( 0.283 -0.237 0.050) 0.372 6.931 ( -0.265 -0.318 -0.005) 0.415 7.099 ( -0.016 0.118 0.369) 0.388 7.117 ( 0.049 -0.110 -0.435) 0.452 7.676 ( 0.112 0.293 -0.002) 0.314 7.680 ( -0.137 0.239 -0.110) 0.297 8.095 ( -0.029 0.248 0.032) 0.252 8.097 ( 0.030 0.250 -0.044) 0.255 8.446 ( -0.116 -0.965 0.162) 0.985 8.454 ( 0.117 -1.156 -0.206) 1.180 8.943 ( -0.105 1.238 0.876) 1.520 8.982 ( 0.160 0.313 -0.812) 0.885 9.612 ( -0.143 0.941 0.187) 0.970 9.621 ( 0.174 0.826 -0.151) 0.857 10.104 ( -0.393 1.427 4.167) 4.422 10.275 ( 0.197 -2.589 -3.295) 4.195 10.784 ( 0.194 -0.259 -0.171) 0.366 10.790 ( -0.299 -0.617 -0.485) 0.840 10.875 ( 0.219 0.596 -0.052) 0.637 10.895 ( -0.050 0.494 -0.534) 0.729 10.918 ( -0.341 0.457 1.383) 1.496 10.955 ( 0.170 -0.892 -0.551) 1.062 12.408 ( 0.694 1.378 0.614) 1.661 12.436 ( -0.601 0.740 -0.574) 1.113 13.051 ( 0.101 1.280 0.047) 1.284 13.054 ( -0.108 1.330 -0.067) 1.336 14.404 ( -0.088 0.788 0.562) 0.972 14.443 ( 0.121 0.400 -1.259) 1.326 15.033 ( -0.396 4.642 2.551) 5.311 15.133 ( 0.190 3.017 -1.971) 3.609 15.949 ( -0.720 0.399 3.543) 3.637 16.137 ( 1.024 -3.929 -5.564) 6.888 16.422 ( -0.736 -0.480 4.413) 4.500 16.575 ( 0.372 -0.981 -3.138) 3.308 17.038 ( 0.792 -0.623 0.755) 1.259 17.063 ( -0.688 0.058 -0.295) 0.751 17.234 ( -0.853 -0.099 2.091) 2.260 17.367 ( 1.231 -3.193 -3.464) 4.869 17.576 ( 0.377 4.234 3.541) 5.532 17.689 ( -0.441 1.050 -1.619) 1.980 18.064 ( 0.066 0.413 1.009) 1.092 18.112 ( -0.376 -0.304 -1.117) 1.217 18.797 ( -0.193 0.523 0.005) 0.557 18.797 ( 0.237 0.427 0.003) 0.489 19.638 ( -0.041 0.766 0.503) 0.917 19.652 ( 0.224 0.408 0.096) 0.475 20.188 ( -2.253 -3.859 3.373) 5.599 20.358 ( 2.068 -8.765 -4.046) 9.873 21.571 ( -0.019 0.227 0.034) 0.230 21.572 ( 0.046 0.141 -0.017) 0.149 ======================= Grid point 125 (57/110) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -6.967 -3.983 0.740) 8.060 0.989 ( 1.240 -7.729 -0.552) 7.847 1.028 ( -2.361 -1.090 0.346) 2.624 1.084 ( -2.318 -4.954 -0.069) 5.470 1.200 ( 1.550 -0.437 -0.515) 1.691 1.261 ( -3.566 -3.778 -5.584) 7.627 1.295 ( -0.590 -4.071 -1.289) 4.311 1.322 ( 0.764 -1.514 1.342) 2.163 1.454 ( -1.483 -1.957 2.634) 3.602 1.558 ( 0.118 2.099 0.573) 2.179 1.639 ( -2.491 -0.822 2.032) 3.318 1.672 ( -5.698 3.738 1.001) 6.888 1.767 ( -0.597 -0.255 0.122) 0.660 1.855 ( 1.386 0.135 0.746) 1.580 1.915 ( -3.153 -0.541 -1.973) 3.759 1.928 ( 6.235 3.095 -0.084) 6.961 2.042 ( 2.129 -1.807 0.448) 2.828 2.076 ( 1.000 -1.480 0.502) 1.856 2.097 ( -2.279 1.983 1.474) 3.361 2.147 ( -0.818 0.625 -0.247) 1.059 2.205 ( 0.281 -0.094 1.437) 1.468 2.234 ( 1.645 -2.976 -0.485) 3.434 2.276 ( 1.671 -1.435 -0.938) 2.393 2.289 ( -0.216 -0.594 -2.410) 2.491 3.463 ( 0.003 1.113 0.028) 1.114 3.489 ( 1.092 1.049 -0.055) 1.515 3.711 ( -0.568 1.500 0.168) 1.612 3.730 ( 0.158 1.613 -0.104) 1.624 4.778 ( -0.018 0.467 -0.318) 0.565 4.783 ( 0.274 0.233 0.286) 0.459 5.194 ( 0.153 -0.405 0.192) 0.474 5.204 ( 0.535 -0.526 -0.118) 0.760 6.695 ( -0.399 -0.017 0.086) 0.409 6.722 ( 0.661 0.009 -0.183) 0.686 6.925 ( -0.297 -0.184 -0.188) 0.396 6.935 ( 0.290 -0.315 0.237) 0.489 7.103 ( 0.372 0.039 0.332) 0.500 7.122 ( 0.486 -0.164 -0.429) 0.669 7.675 ( -0.149 0.282 -0.202) 0.378 7.678 ( -0.019 0.310 0.083) 0.321 8.098 ( 0.341 0.245 0.037) 0.421 8.102 ( 0.448 0.228 -0.044) 0.505 8.432 ( -1.039 -0.935 0.052) 1.399 8.457 ( -0.072 -1.112 -0.097) 1.118 8.934 ( -0.994 1.185 0.827) 1.754 8.981 ( -0.094 0.044 -0.840) 0.846 9.611 ( 0.048 0.928 0.099) 0.935 9.626 ( 0.350 0.707 -0.062) 0.792 10.116 ( 0.504 1.107 4.668) 4.824 10.292 ( 2.405 -2.369 -3.552) 4.900 10.783 ( -0.098 -0.611 -0.384) 0.728 10.792 ( 0.592 -0.222 -0.203) 0.664 10.881 ( 0.440 0.954 -0.163) 1.063 10.896 ( 0.206 0.217 -0.474) 0.561 10.919 ( 0.133 0.378 1.186) 1.252 10.960 ( 0.430 -0.896 -0.378) 1.063 12.410 ( -0.275 0.899 0.189) 0.959 12.445 ( 1.397 1.028 -0.157) 1.742 13.048 ( -0.101 1.443 0.014) 1.446 13.067 ( 1.096 1.362 -0.054) 1.749 14.398 ( -0.660 1.150 0.601) 1.456 14.441 ( -0.077 0.334 -1.339) 1.382 15.030 ( -0.515 4.621 2.684) 5.369 15.133 ( 0.203 2.644 -2.046) 3.349 15.907 ( -4.298 0.563 3.244) 5.414 16.103 ( -3.142 -3.222 -5.065) 6.776 16.404 ( -2.053 -0.064 4.317) 4.781 16.555 ( -1.707 -1.476 -3.087) 3.824 17.033 ( -0.951 -0.302 -0.654) 1.193 17.046 ( -0.784 -0.736 1.091) 1.532 17.244 ( 1.195 -0.483 2.190) 2.542 17.453 ( 7.314 -2.603 -3.551) 8.537 17.552 ( -0.392 3.392 0.657) 3.477 17.812 ( 10.234 2.578 0.872) 10.590 18.072 ( 0.544 0.474 1.583) 1.740 18.107 ( 0.124 -0.659 -1.203) 1.377 18.803 ( 1.028 0.789 -0.223) 1.315 18.816 ( 1.608 0.520 0.163) 1.697 19.639 ( 0.383 0.980 0.087) 1.056 19.687 ( 2.791 -0.195 0.691) 2.881 20.110 ( -6.144 -3.201 1.404) 7.069 20.363 ( -0.610 -9.566 -2.389) 9.879 21.577 ( 0.745 0.298 -0.004) 0.802 21.582 ( 0.827 0.242 0.026) 0.862 ======================= Grid point 126 (58/110) ======================= q-point: (-0.30 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -8.585 -1.521 1.306) 8.816 0.846 ( -11.892 2.705 -7.830) 14.493 0.967 ( -3.320 -2.904 0.853) 4.493 1.096 ( 0.528 2.804 -0.822) 2.969 1.147 ( -1.137 0.718 0.444) 1.417 1.255 ( -0.026 -4.624 -5.444) 7.143 1.310 ( -1.259 -2.498 0.709) 2.886 1.356 ( 4.441 -2.545 2.778) 5.824 1.448 ( -5.110 0.900 -0.385) 5.203 1.478 ( -2.208 1.768 2.426) 3.726 1.577 ( -2.704 2.838 -0.387) 3.939 1.662 ( 1.482 -3.484 1.800) 4.192 1.737 ( -2.624 -0.851 3.683) 4.601 1.836 ( -2.971 0.021 -0.418) 3.000 1.896 ( 0.400 -1.989 3.401) 3.960 1.991 ( -2.318 -0.842 -1.147) 2.720 2.040 ( -0.573 0.901 -1.478) 1.823 2.063 ( -0.086 -0.077 -1.115) 1.121 2.122 ( 0.301 0.156 0.121) 0.360 2.164 ( 2.356 -1.848 1.300) 3.265 2.182 ( -1.206 -0.907 1.459) 2.099 2.245 ( 1.545 0.456 -1.016) 1.904 2.297 ( 1.665 -0.913 -1.901) 2.686 2.357 ( 6.416 -1.349 -1.448) 6.715 3.467 ( 0.431 1.208 0.000) 1.283 3.511 ( 1.082 1.160 0.002) 1.587 3.700 ( -0.642 1.390 0.169) 1.540 3.731 ( -0.021 1.475 -0.099) 1.479 4.780 ( 0.267 0.547 -0.411) 0.735 4.790 ( 0.311 0.285 0.396) 0.579 5.199 ( 0.375 -0.430 0.207) 0.607 5.216 ( 0.722 -0.499 -0.144) 0.890 6.690 ( -0.034 0.367 -0.165) 0.404 6.734 ( 0.516 0.331 0.015) 0.613 6.920 ( -0.168 -0.083 -0.182) 0.261 6.940 ( 0.144 -0.320 0.225) 0.416 7.114 ( 0.650 -0.090 0.206) 0.688 7.133 ( 0.809 -0.311 -0.346) 0.933 7.672 ( -0.096 0.285 -0.337) 0.452 7.679 ( 0.104 0.348 0.233) 0.431 8.107 ( 0.636 0.209 0.061) 0.672 8.113 ( 0.632 0.171 -0.051) 0.657 8.411 ( -1.092 -0.836 0.057) 1.376 8.449 ( -0.741 -1.056 -0.088) 1.293 8.910 ( -1.628 1.099 0.786) 2.116 8.969 ( -1.036 -0.507 -1.058) 1.565 9.614 ( 0.286 0.863 0.069) 0.912 9.633 ( 0.411 0.616 -0.041) 0.742 10.143 ( 0.966 0.603 5.705) 5.818 10.349 ( 4.430 -2.722 -3.856) 6.473 10.783 ( 0.282 -0.414 -0.293) 0.580 10.807 ( 0.976 -0.259 -0.076) 1.012 10.892 ( 0.775 1.227 -0.383) 1.501 10.899 ( 0.197 0.001 -0.388) 0.435 10.926 ( 0.329 0.442 0.779) 0.954 10.969 ( 0.459 -0.988 -0.056) 1.091 12.411 ( 0.529 0.696 -0.243) 0.907 12.475 ( 1.557 0.902 0.253) 1.818 13.047 ( 0.009 1.754 0.030) 1.755 13.094 ( 1.690 1.458 -0.143) 2.236 14.382 ( -1.148 1.692 0.717) 2.167 14.435 ( -0.172 0.467 -1.536) 1.615 15.027 ( -0.457 4.393 3.021) 5.351 15.129 ( -0.117 2.080 -2.165) 3.005 15.812 ( -5.950 1.244 2.782) 6.685 16.003 ( -5.777 -1.546 -3.925) 7.153 16.367 ( -2.730 0.313 4.073) 4.914 16.499 ( -3.115 -2.005 -3.140) 4.856 17.016 ( -0.432 -1.377 -1.569) 2.131 17.032 ( -1.048 -2.407 0.678) 2.711 17.291 ( 2.851 -0.544 4.265) 5.159 17.559 ( 3.369 9.523 1.166) 10.169 17.625 ( 8.528 -6.034 -6.923) 12.532 17.999 ( 5.928 2.073 -0.522) 6.302 18.097 ( 0.829 0.617 -1.481) 1.806 18.141 ( 6.367 -0.601 5.794) 8.630 18.836 ( 2.520 1.377 -0.470) 2.910 18.858 ( 2.714 0.922 0.144) 2.870 19.642 ( -0.828 1.232 -0.184) 1.496 19.746 ( 2.108 -0.961 2.460) 3.379 19.989 ( -4.658 -2.492 -2.747) 5.954 20.334 ( -1.606 -10.820 -0.155) 10.940 21.597 ( 1.075 0.376 -0.086) 1.142 21.601 ( 1.147 0.507 0.134) 1.261 ======================= Grid point 127 (59/110) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -6.493 5.498 -1.532) 8.645 0.638 ( -7.291 9.203 -2.649) 12.036 0.889 ( -5.176 2.215 3.323) 6.538 1.033 ( -4.624 6.868 -5.902) 10.168 1.164 ( 1.900 4.107 0.194) 4.530 1.232 ( -4.623 1.745 -2.221) 5.418 1.296 ( 1.450 -1.783 -0.090) 2.300 1.303 ( -5.075 4.641 0.900) 6.936 1.424 ( 1.328 -5.418 1.439) 5.761 1.508 ( -3.871 2.178 -0.778) 4.510 1.536 ( 3.985 -4.849 3.064) 6.985 1.641 ( -3.421 0.871 0.487) 3.564 1.736 ( 0.695 -2.133 4.560) 5.082 1.805 ( 0.285 -3.321 -2.084) 3.931 1.875 ( -3.011 -2.889 2.096) 4.670 1.892 ( -6.658 -4.645 0.052) 8.119 1.982 ( -3.468 3.342 -4.970) 6.921 2.039 ( -4.886 -4.589 -1.848) 6.953 2.106 ( -0.068 0.933 -0.267) 0.973 2.156 ( 0.907 -0.495 0.949) 1.403 2.245 ( 2.472 0.882 2.138) 3.385 2.292 ( 1.849 0.717 -0.343) 2.012 2.360 ( 5.719 -0.998 2.560) 6.345 2.510 ( 9.584 -1.518 -2.991) 10.154 3.478 ( 0.679 1.340 0.000) 1.503 3.526 ( 0.387 1.305 0.064) 1.363 3.690 ( -0.350 1.248 0.148) 1.304 3.728 ( -0.296 1.313 -0.141) 1.353 4.785 ( 0.353 0.645 -0.234) 0.772 4.798 ( 0.482 0.461 0.221) 0.703 5.208 ( 0.416 -0.372 0.315) 0.640 5.229 ( 0.630 -0.509 -0.270) 0.854 6.694 ( 0.496 0.851 -0.194) 1.004 6.740 ( 0.115 0.600 -0.029) 0.612 6.918 ( -0.022 -0.070 -0.016) 0.075 6.942 ( -0.018 -0.181 0.020) 0.183 7.129 ( 0.815 -0.229 0.082) 0.851 7.149 ( 0.833 -0.504 -0.177) 0.989 7.672 ( 0.190 0.290 -0.238) 0.420 7.684 ( 0.378 0.225 0.296) 0.530 8.120 ( 0.637 0.164 0.096) 0.664 8.125 ( 0.599 0.080 -0.059) 0.607 8.393 ( -0.761 -0.754 0.103) 1.076 8.430 ( -1.132 -0.971 -0.096) 1.494 8.876 ( -2.073 1.102 0.593) 2.422 8.933 ( -2.524 -0.820 -1.262) 2.939 9.622 ( 0.448 0.814 0.086) 0.933 9.641 ( 0.369 0.619 -0.087) 0.726 10.177 ( 0.912 -0.074 7.071) 7.130 10.439 ( 5.652 -4.244 -4.256) 8.250 10.794 ( 0.860 -0.067 0.080) 0.867 10.829 ( 1.231 -0.390 -0.046) 1.292 10.899 ( -0.070 -0.086 0.241) 0.266 10.912 ( 1.567 1.437 -1.265) 2.474 10.933 ( 0.136 0.537 0.291) 0.625 10.975 ( 0.159 -1.114 0.340) 1.175 12.431 ( 1.563 0.709 -0.364) 1.755 12.504 ( 1.261 0.700 0.410) 1.499 13.049 ( 0.150 2.170 0.162) 2.181 13.128 ( 1.698 1.285 -0.421) 2.170 14.360 ( -1.294 2.173 0.963) 2.706 14.428 ( -0.138 0.715 -1.774) 1.918 15.026 ( -0.435 4.006 3.122) 5.097 15.119 ( -0.362 1.603 -1.844) 2.470 15.708 ( -4.999 2.386 2.176) 5.951 15.878 ( -6.149 0.491 -2.448) 6.637 16.321 ( -2.903 0.364 3.502) 4.563 16.427 ( -3.509 -2.302 -3.153) 5.249 17.001 ( -1.246 -4.041 0.065) 4.229 17.020 ( 0.320 -1.479 -2.217) 2.684 17.363 ( 2.913 -0.857 5.958) 6.687 17.631 ( 4.126 11.214 -0.678) 11.968 17.780 ( 9.014 -5.438 -6.503) 12.374 18.043 ( 0.836 0.768 -0.628) 1.297 18.099 ( 0.134 -0.299 -2.537) 2.558 18.320 ( 6.569 -1.416 8.661) 10.962 18.896 ( 3.505 1.804 -0.399) 3.963 18.919 ( 3.487 1.541 -0.219) 3.819 19.572 ( -5.867 2.757 0.209) 6.486 19.760 ( -0.456 1.304 1.337) 1.923 19.982 ( 4.190 -4.950 -5.490) 8.496 20.322 ( 0.463 -11.463 2.841) 11.818 21.613 ( 0.699 0.465 -0.179) 0.858 21.625 ( 1.035 0.502 0.281) 1.185 ======================= Grid point 128 (60/110) ======================= q-point: (-0.10 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 4.796 15.411 0.105) 16.140 0.559 ( -1.326 11.531 2.733) 11.925 0.779 ( -6.650 9.412 1.901) 11.680 0.971 ( 0.185 7.077 -5.946) 9.245 1.093 ( -7.030 10.133 4.931) 13.282 1.202 ( 0.604 6.045 -2.511) 6.573 1.239 ( -2.243 -0.847 1.914) 3.068 1.344 ( 1.815 -0.742 -1.918) 2.743 1.422 ( -1.267 -2.903 0.037) 3.167 1.450 ( -1.250 -0.956 1.242) 2.004 1.567 ( -2.507 -1.354 3.530) 4.536 1.598 ( -0.528 -0.073 -0.514) 0.740 1.738 ( -2.530 -6.452 0.041) 6.931 1.749 ( -6.248 -2.290 -3.335) 7.443 1.793 ( -1.696 0.375 -2.981) 3.450 1.849 ( 0.355 -3.742 1.318) 3.983 1.913 ( -3.637 0.193 -3.994) 5.405 1.945 ( -0.395 -4.423 -1.014) 4.555 2.110 ( 0.029 0.691 0.121) 0.702 2.179 ( 0.871 -0.403 0.289) 1.003 2.259 ( -0.532 2.010 0.748) 2.210 2.337 ( 2.128 0.725 2.095) 3.073 2.479 ( 4.652 -2.193 5.502) 7.531 2.685 ( 8.462 -3.483 -4.372) 10.141 3.493 ( 0.834 1.453 0.029) 1.676 3.524 ( -0.534 1.436 0.091) 1.535 3.688 ( 0.131 1.139 0.162) 1.158 3.719 ( -0.512 1.171 -0.238) 1.300 4.793 ( 0.490 0.833 -0.101) 0.972 4.806 ( 0.216 0.578 -0.021) 0.618 5.215 ( 0.239 -0.246 0.473) 0.585 5.238 ( 0.377 -0.555 -0.434) 0.799 6.706 ( 0.753 1.217 -0.065) 1.433 6.738 ( -0.230 0.689 -0.172) 0.746 6.918 ( 0.037 -0.087 0.197) 0.219 6.940 ( -0.112 0.059 -0.259) 0.288 7.145 ( 0.816 -0.395 0.074) 0.910 7.162 ( 0.411 -0.698 -0.010) 0.810 7.679 ( 0.513 0.247 0.111) 0.580 7.693 ( 0.328 -0.184 0.314) 0.489 8.130 ( 0.343 0.133 0.094) 0.380 8.134 ( 0.363 -0.014 -0.033) 0.365 8.383 ( -0.227 -0.714 0.177) 0.770 8.408 ( -0.988 -0.880 -0.136) 1.330 8.839 ( -1.639 1.348 0.087) 2.124 8.873 ( -3.030 0.080 -0.829) 3.143 9.631 ( 0.433 0.821 0.096) 0.934 9.646 ( 0.177 0.700 -0.130) 0.733 10.208 ( 0.299 -0.727 8.490) 8.527 10.527 ( 3.996 -6.829 -5.229) 9.484 10.815 ( 1.051 -0.331 0.499) 1.210 10.852 ( 1.066 -0.697 -0.289) 1.306 10.899 ( 0.225 0.241 0.233) 0.404 10.929 ( -0.522 0.491 -0.008) 0.716 10.951 ( 2.633 0.926 -1.476) 3.158 10.975 ( -0.322 -1.179 0.531) 1.333 12.469 ( 2.337 0.844 -0.156) 2.489 12.521 ( 0.262 0.565 0.393) 0.736 13.057 ( 0.683 2.428 0.781) 2.640 13.151 ( 0.808 0.607 -1.218) 1.582 14.341 ( -0.856 2.427 1.317) 2.891 14.422 ( 0.046 0.942 -1.938) 2.156 15.027 ( -0.087 3.748 2.824) 4.693 15.109 ( -0.221 1.294 -0.972) 1.633 15.645 ( -1.883 3.809 1.884) 4.648 15.769 ( -4.392 1.899 -1.254) 4.947 16.277 ( -2.287 0.144 2.365) 3.293 16.358 ( -2.649 -1.717 -2.623) 4.105 16.977 ( -1.088 -3.912 0.206) 4.066 17.027 ( 0.859 -1.099 -3.112) 3.410 17.416 ( 0.921 -1.425 6.503) 6.721 17.709 ( 4.278 7.499 -5.360) 10.162 17.946 ( 9.213 -3.423 -1.034) 9.882 18.056 ( 1.410 0.727 -0.858) 1.803 18.092 ( -0.184 -0.459 -2.587) 2.634 18.356 ( -5.186 -5.330 7.254) 10.389 18.950 ( 1.821 1.320 0.071) 2.250 18.971 ( 1.235 1.313 -0.001) 1.802 19.511 ( 1.216 7.727 -0.861) 7.869 19.735 ( -2.140 3.625 -4.118) 5.889 20.070 ( 4.814 -8.531 1.624) 9.929 20.359 ( 1.568 -11.197 2.555) 11.591 21.624 ( 0.530 0.457 -0.172) 0.720 21.636 ( -0.037 0.227 0.357) 0.424 ======================= Grid point 129 (61/110) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.124 10.296 5.842) 11.891 0.899 ( -5.285 12.776 -1.225) 13.880 0.943 ( 7.408 14.027 -5.240) 16.706 1.076 ( -1.028 -1.837 -5.836) 6.204 1.144 ( 2.354 4.310 1.347) 5.092 1.216 ( -2.309 1.132 1.791) 3.134 1.282 ( 0.944 2.277 -3.119) 3.976 1.323 ( -3.007 -6.594 -1.943) 7.503 1.355 ( -0.161 3.906 3.663) 5.357 1.407 ( 3.535 -3.792 1.791) 5.485 1.484 ( 0.251 -4.467 -0.232) 4.480 1.566 ( -0.168 -4.623 -2.879) 5.449 1.643 ( -0.237 -0.423 1.508) 1.584 1.652 ( -1.337 3.426 1.973) 4.173 1.776 ( -4.027 1.411 -0.584) 4.307 1.797 ( -0.334 -3.602 0.963) 3.744 1.870 ( 2.048 -0.667 1.989) 2.932 1.935 ( 0.898 1.206 -3.472) 3.784 2.114 ( -1.175 0.888 1.002) 1.781 2.177 ( 1.222 -1.481 -0.374) 1.956 2.283 ( -1.248 2.236 3.455) 4.301 2.396 ( 0.744 1.920 1.824) 2.751 2.468 ( 0.075 -3.527 1.643) 3.892 2.644 ( 0.479 -7.046 -5.403) 8.892 3.534 ( -0.167 1.096 0.127) 1.116 3.537 ( 0.167 0.958 0.023) 0.973 3.715 ( -0.012 1.097 0.230) 1.121 3.728 ( -0.067 0.554 -0.359) 0.663 4.815 ( -0.098 0.523 0.014) 0.532 4.817 ( 0.127 0.453 -0.077) 0.477 5.217 ( -0.048 0.032 0.283) 0.289 5.230 ( 0.060 -0.601 -0.295) 0.673 6.740 ( -0.095 0.948 0.039) 0.954 6.747 ( 0.154 0.502 -0.172) 0.552 6.925 ( 0.082 0.500 0.351) 0.617 6.939 ( -0.098 0.018 -0.319) 0.334 7.143 ( -0.047 -0.592 0.102) 0.602 7.149 ( 0.098 -0.794 -0.138) 0.812 7.686 ( -0.325 0.043 0.325) 0.461 7.690 ( 0.200 -0.217 0.322) 0.437 8.136 ( -0.005 0.101 0.074) 0.126 8.137 ( -0.010 0.016 0.038) 0.042 8.373 ( 0.020 -0.303 0.240) 0.387 8.381 ( -0.067 -0.653 -0.087) 0.662 8.851 ( 0.098 0.828 -0.089) 0.838 8.852 ( 0.043 0.750 -0.170) 0.770 9.652 ( 0.107 0.685 -0.044) 0.695 9.659 ( -0.046 0.432 -0.230) 0.491 10.241 ( -0.349 2.299 4.598) 5.152 10.415 ( 0.089 -6.463 -3.075) 7.157 10.816 ( -0.082 -0.149 -0.029) 0.173 10.840 ( 0.090 -1.115 -0.835) 1.396 10.919 ( -0.833 0.713 -0.053) 1.098 10.926 ( 0.475 0.336 -0.223) 0.623 10.952 ( -0.246 -0.477 0.390) 0.664 10.972 ( 0.744 -1.184 -0.637) 1.537 12.519 ( -0.484 0.500 0.198) 0.724 12.522 ( 0.453 0.387 0.178) 0.622 13.109 ( 0.050 1.591 0.792) 1.777 13.148 ( 0.014 -0.543 -0.961) 1.104 14.383 ( -0.046 2.261 1.008) 2.476 14.432 ( 0.254 -0.031 -1.179) 1.206 15.088 ( 0.106 1.908 0.750) 2.053 15.119 ( 0.407 0.014 -0.720) 0.827 15.727 ( -0.277 4.299 2.468) 4.965 15.770 ( 0.020 2.130 0.880) 2.305 16.253 ( -0.401 0.318 0.581) 0.774 16.302 ( 0.434 -1.873 -1.328) 2.337 16.940 ( -0.124 0.493 1.750) 1.823 17.011 ( 0.181 -1.649 0.455) 1.720 17.427 ( -0.503 2.249 0.077) 2.306 17.691 ( 0.993 -7.950 -11.134) 13.717 18.028 ( -0.425 0.946 3.007) 3.180 18.070 ( -0.981 -0.896 0.329) 1.369 18.131 ( -1.827 0.008 2.311) 2.946 18.176 ( 3.558 -1.763 0.293) 3.981 18.983 ( -0.509 1.360 1.021) 1.776 19.004 ( -0.442 0.778 0.113) 0.901 19.672 ( 1.473 3.758 -2.055) 4.529 19.741 ( -0.404 1.240 -7.056) 7.176 20.062 ( 1.943 -1.650 8.050) 8.444 20.176 ( -3.288 -6.195 1.207) 7.117 21.632 ( -0.296 0.259 0.152) 0.422 21.639 ( 0.297 0.009 -0.140) 0.328 ======================= Grid point 130 (62/110) ======================= q-point: ( 0.10 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -2.998 11.612 0.611) 12.009 0.810 ( 1.747 9.886 3.017) 10.482 1.027 ( 1.460 1.186 -7.635) 7.863 1.104 ( 2.059 11.300 -0.494) 11.497 1.119 ( 0.707 0.817 -1.350) 1.729 1.201 ( -2.247 -2.611 -1.310) 3.686 1.262 ( -2.351 -4.301 0.968) 4.996 1.313 ( 2.901 2.315 -5.214) 6.400 1.399 ( 1.660 2.599 8.707) 9.237 1.457 ( 0.939 -0.777 -1.474) 1.913 1.475 ( 1.377 1.339 -1.582) 2.488 1.589 ( -0.023 -3.072 -1.313) 3.341 1.651 ( 3.668 -5.381 1.508) 6.684 1.691 ( 3.841 0.863 1.428) 4.187 1.697 ( -2.391 2.363 0.447) 3.391 1.824 ( 1.943 -4.622 3.842) 6.316 1.916 ( 2.523 -2.523 0.130) 3.570 1.952 ( 1.260 -0.614 -4.077) 4.311 2.110 ( 0.504 1.810 1.881) 2.658 2.196 ( 0.703 0.287 -1.718) 1.878 2.254 ( -2.562 2.488 4.136) 5.464 2.396 ( -1.159 2.378 0.097) 2.647 2.438 ( -3.084 -4.452 2.237) 5.860 2.583 ( -5.100 -5.488 -4.954) 8.982 3.522 ( -0.696 1.461 0.061) 1.619 3.545 ( 0.233 0.516 0.078) 0.572 3.713 ( -0.086 1.252 0.141) 1.263 3.733 ( 0.485 0.407 -0.215) 0.669 4.806 ( -0.579 0.690 -0.044) 0.902 4.817 ( -0.240 0.228 0.010) 0.331 5.212 ( -0.408 0.063 0.201) 0.459 5.228 ( -0.239 -0.654 -0.215) 0.729 6.729 ( -0.740 1.132 -0.024) 1.353 6.751 ( 0.081 0.235 -0.100) 0.268 6.926 ( -0.052 0.305 0.368) 0.480 6.935 ( -0.256 0.086 -0.363) 0.453 7.136 ( -0.565 -0.371 0.032) 0.676 7.148 ( -0.245 -0.855 -0.094) 0.894 7.679 ( -0.395 0.278 0.172) 0.513 7.692 ( -0.138 -0.324 0.355) 0.501 8.133 ( -0.345 0.124 0.078) 0.375 8.134 ( -0.315 0.041 0.021) 0.318 8.376 ( 0.269 -0.218 0.170) 0.385 8.390 ( 0.806 -0.807 -0.049) 1.142 8.861 ( 1.259 1.101 -0.096) 1.675 8.880 ( 2.237 -0.038 -0.170) 2.244 9.650 ( -0.277 0.626 0.040) 0.686 9.654 ( -0.333 0.489 -0.277) 0.654 10.234 ( -1.454 2.204 4.473) 5.194 10.390 ( -1.852 -5.555 -3.088) 6.620 10.809 ( -0.622 -0.058 -0.028) 0.625 10.835 ( -0.396 -1.145 -0.602) 1.353 10.897 ( -1.083 1.003 0.080) 1.478 10.933 ( 0.134 -0.501 -0.277) 0.588 10.949 ( -0.165 0.198 0.018) 0.259 10.977 ( -0.042 -1.129 -0.320) 1.174 12.487 ( -2.163 1.326 0.095) 2.539 12.526 ( -0.505 -0.347 0.252) 0.662 13.103 ( -0.622 1.774 0.419) 1.926 13.148 ( -0.067 -0.500 -0.602) 0.786 14.389 ( 0.435 2.082 0.883) 2.303 14.436 ( 0.399 0.033 -1.216) 1.280 15.089 ( -0.045 2.319 0.727) 2.431 15.136 ( 1.311 -0.364 -0.658) 1.511 15.735 ( 1.220 4.230 2.015) 4.842 15.804 ( 2.686 1.396 0.742) 3.116 16.268 ( 1.751 0.647 0.648) 1.975 16.336 ( 3.226 -2.574 -1.103) 4.272 16.942 ( -0.028 0.509 1.614) 1.693 17.008 ( -0.469 -1.513 0.177) 1.594 17.401 ( -2.159 2.084 0.416) 3.029 17.662 ( -1.509 -8.338 -10.254) 13.302 17.986 ( -4.799 3.709 3.261) 6.886 18.046 ( -0.867 -0.432 0.241) 0.998 18.091 ( -0.732 2.184 -0.559) 2.370 18.289 ( 3.935 -6.437 3.149) 8.175 18.961 ( -1.883 1.112 0.612) 2.270 18.975 ( -2.491 0.830 -0.057) 2.626 19.670 ( -0.427 6.469 -2.579) 6.978 19.760 ( 3.724 0.097 -4.521) 5.859 20.050 ( -7.042 -2.138 1.347) 7.482 20.089 ( -2.710 -6.498 5.756) 9.094 21.627 ( -0.230 0.492 -0.045) 0.545 21.641 ( -0.146 -0.094 0.083) 0.192 ======================= Grid point 131 (63/110) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.603 9.001 -5.205) 10.415 0.860 ( -0.250 6.866 7.002) 9.810 1.002 ( -1.485 3.027 -6.675) 7.478 1.081 ( -1.328 0.188 -4.277) 4.483 1.143 ( -0.598 -3.799 -0.363) 3.863 1.208 ( -0.022 -0.820 2.902) 3.016 1.232 ( 2.651 3.253 -0.469) 4.223 1.343 ( 0.621 2.209 -2.250) 3.214 1.407 ( -0.537 1.284 0.031) 1.392 1.465 ( 0.331 -1.963 -0.581) 2.073 1.532 ( 2.053 -2.325 -1.580) 3.481 1.598 ( 2.642 3.148 4.353) 5.987 1.693 ( 2.573 -1.505 1.291) 3.248 1.765 ( 5.806 -3.662 1.552) 7.038 1.785 ( 5.063 -0.199 1.002) 5.165 1.878 ( 2.398 -3.330 5.063) 6.517 1.961 ( 1.329 -2.272 -2.642) 3.729 1.978 ( 3.063 -4.821 -1.642) 5.943 2.128 ( 0.374 2.887 1.266) 3.175 2.179 ( -1.943 4.701 -2.070) 5.492 2.217 ( -1.983 -0.666 2.899) 3.575 2.348 ( -3.246 -0.024 -1.109) 3.430 2.383 ( -3.320 -2.148 1.774) 4.334 2.451 ( -6.679 -1.899 -3.666) 7.852 3.509 ( -0.736 1.594 0.041) 1.757 3.543 ( -0.576 0.222 0.043) 0.619 3.716 ( 0.418 1.415 0.134) 1.482 3.742 ( 0.465 0.341 -0.100) 0.585 4.795 ( -0.556 0.684 -0.076) 0.885 4.809 ( -0.541 0.078 0.068) 0.551 5.203 ( -0.545 0.069 0.100) 0.558 5.220 ( -0.544 -0.676 -0.107) 0.874 6.714 ( -0.782 1.232 -0.067) 1.461 6.748 ( -0.375 -0.141 -0.038) 0.402 6.925 ( -0.057 -0.047 0.164) 0.180 6.929 ( -0.249 0.020 -0.184) 0.310 7.124 ( -0.645 -0.087 0.049) 0.653 7.139 ( -0.595 -0.725 -0.150) 0.950 7.674 ( -0.083 0.393 0.005) 0.402 7.689 ( -0.235 -0.225 0.286) 0.433 8.124 ( -0.594 0.170 0.066) 0.622 8.126 ( -0.533 0.061 0.006) 0.537 8.386 ( 0.730 -0.083 0.098) 0.741 8.408 ( 1.033 -1.041 -0.030) 1.466 8.893 ( 1.915 1.113 0.111) 2.218 8.925 ( 2.254 -0.672 -0.328) 2.374 9.643 ( -0.424 0.600 0.095) 0.741 9.646 ( -0.398 0.519 -0.256) 0.702 10.208 ( -2.119 2.191 3.779) 4.855 10.338 ( -2.643 -4.312 -2.667) 5.718 10.796 ( -0.647 0.047 -0.021) 0.649 10.821 ( -0.875 -0.870 -0.280) 1.265 10.883 ( -0.435 0.922 0.081) 1.023 10.933 ( -0.121 -0.986 -0.222) 1.018 10.942 ( -0.451 0.472 -0.307) 0.722 10.969 ( -0.722 -0.598 -0.028) 0.938 12.448 ( -1.706 1.842 0.045) 2.511 12.509 ( -1.178 -0.752 0.260) 1.422 13.092 ( -0.580 1.908 0.103) 1.997 13.136 ( -1.035 -0.163 -0.268) 1.082 14.401 ( 0.549 1.744 0.581) 1.918 14.441 ( 0.413 0.080 -1.106) 1.184 15.093 ( 0.339 2.978 0.982) 3.155 15.159 ( 1.117 -0.264 -0.913) 1.467 15.789 ( 3.705 3.509 2.074) 5.509 15.867 ( 3.771 0.254 -0.259) 3.789 16.317 ( 2.927 1.072 1.036) 3.285 16.407 ( 4.050 -3.052 -1.161) 5.203 16.950 ( 0.536 0.317 1.071) 1.239 17.002 ( -0.004 -1.491 -0.103) 1.494 17.350 ( -3.189 1.534 0.964) 3.667 17.582 ( -4.427 -8.399 -8.245) 12.574 17.885 ( -6.172 8.341 2.083) 10.583 18.029 ( -1.371 -0.491 0.026) 1.456 18.081 ( -0.383 1.473 -0.096) 1.525 18.293 ( -4.407 -6.704 3.910) 8.925 18.916 ( -3.300 0.875 -0.365) 3.434 18.917 ( -2.740 0.604 0.082) 2.807 19.674 ( 1.085 6.939 -1.483) 7.179 19.837 ( 3.391 1.366 0.347) 3.672 19.906 ( -4.864 -4.204 -4.384) 7.781 20.066 ( -0.788 -7.707 5.249) 9.359 21.619 ( -0.635 0.473 -0.093) 0.797 21.631 ( -0.994 0.039 0.157) 1.007 ======================= Grid point 132 (64/110) ======================= q-point: ( 0.30 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 2.956 1.539 -5.029) 6.033 0.842 ( -1.189 3.306 3.526) 4.978 0.951 ( -3.150 0.478 -4.257) 5.318 1.022 ( -2.492 -0.815 -3.717) 4.549 1.117 ( -2.269 -2.637 -0.740) 3.556 1.209 ( -1.230 -6.145 5.218) 8.155 1.313 ( -0.034 3.027 -3.922) 4.954 1.348 ( 4.606 2.350 2.409) 5.704 1.422 ( 2.161 0.496 -0.714) 2.329 1.476 ( 2.329 0.608 0.602) 2.481 1.542 ( 0.457 -2.718 -1.182) 2.998 1.686 ( 3.884 3.436 1.423) 5.377 1.768 ( 3.774 -3.248 4.249) 6.545 1.864 ( 2.830 -0.907 -2.998) 4.221 1.875 ( 4.737 -1.312 1.611) 5.173 1.935 ( 2.176 -1.492 4.948) 5.607 1.961 ( -0.621 -3.626 -0.259) 3.687 2.013 ( -0.286 -6.611 -1.545) 6.795 2.127 ( 0.023 3.654 0.380) 3.673 2.147 ( -0.816 3.572 -2.321) 4.337 2.182 ( -1.792 0.469 1.697) 2.512 2.283 ( -2.401 -1.195 -1.915) 3.296 2.320 ( -2.896 0.656 0.491) 3.010 2.343 ( -4.137 -0.060 -1.346) 4.351 3.495 ( -0.646 1.418 0.022) 1.558 3.525 ( -1.143 0.212 -0.007) 1.162 3.728 ( 0.704 1.411 0.155) 1.584 3.749 ( 0.313 0.531 -0.066) 0.619 4.786 ( -0.329 0.576 -0.095) 0.670 4.799 ( -0.467 0.027 0.087) 0.476 5.193 ( -0.459 0.008 0.045) 0.461 5.207 ( -0.660 -0.619 -0.043) 0.906 6.701 ( -0.493 1.004 -0.064) 1.120 6.737 ( -0.730 -0.453 -0.025) 0.860 6.923 ( -0.108 -0.080 -0.266) 0.298 6.927 ( -0.035 -0.282 0.279) 0.398 7.113 ( -0.535 0.103 0.116) 0.557 7.127 ( -0.585 -0.490 -0.225) 0.795 7.675 ( 0.152 0.372 -0.060) 0.406 7.686 ( -0.107 -0.080 0.178) 0.223 8.112 ( -0.592 0.215 0.051) 0.632 8.115 ( -0.575 0.086 -0.001) 0.582 8.403 ( 0.961 -0.096 0.058) 0.968 8.426 ( 0.766 -1.100 -0.022) 1.341 8.928 ( 1.604 1.000 0.276) 1.910 8.960 ( 1.399 -0.671 -0.410) 1.605 9.636 ( -0.337 0.630 0.044) 0.716 9.639 ( -0.273 0.529 -0.150) 0.614 10.175 ( -2.022 2.179 2.969) 4.201 10.283 ( -2.361 -3.326 -2.130) 4.602 10.785 ( -0.421 0.059 -0.096) 0.436 10.804 ( -0.803 -0.565 -0.187) 0.999 10.879 ( -0.060 0.737 0.094) 0.746 10.925 ( -0.619 0.226 -0.320) 0.733 10.935 ( -0.187 -0.881 -0.221) 0.927 10.952 ( -0.965 -0.160 0.129) 0.987 12.426 ( -0.619 1.896 0.080) 1.996 12.486 ( -1.215 -0.651 0.206) 1.394 13.082 ( -0.503 1.602 0.015) 1.679 13.111 ( -1.395 0.290 -0.128) 1.430 14.412 ( 0.443 1.404 0.362) 1.516 14.446 ( 0.320 0.039 -0.884) 0.941 15.104 ( 0.445 3.466 1.150) 3.679 15.173 ( 0.583 0.323 -1.284) 1.446 15.874 ( 4.159 2.545 2.792) 5.618 15.946 ( 4.601 -1.269 -1.339) 4.957 16.376 ( 2.664 1.361 1.415) 3.309 16.477 ( 3.377 -2.940 -1.775) 4.817 16.970 ( 1.335 0.543 0.596) 1.560 17.014 ( 1.338 -1.482 -0.060) 1.998 17.291 ( -2.945 0.630 1.273) 3.270 17.462 ( -5.980 -7.020 -5.831) 10.910 17.763 ( -6.659 8.906 1.318) 11.199 17.970 ( -5.748 -1.224 0.895) 5.945 18.075 ( -0.257 0.942 0.240) 1.006 18.183 ( -5.782 -3.481 1.756) 6.974 18.855 ( -2.705 0.754 -0.377) 2.833 18.864 ( -2.621 0.380 0.088) 2.650 19.679 ( -0.625 3.774 -0.600) 3.872 19.768 ( -5.067 0.505 0.584) 5.126 19.977 ( 7.088 -3.353 -2.030) 8.100 20.098 ( 2.972 -7.066 1.763) 7.865 21.602 ( -1.099 0.309 -0.068) 1.144 21.607 ( -1.328 0.133 0.114) 1.339 ======================= Grid point 133 (65/110) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 3.458 -4.174 -2.834) 6.116 0.858 ( 1.025 -0.331 0.291) 1.116 0.885 ( -1.128 -2.997 -2.353) 3.974 0.978 ( -1.621 -1.329 1.787) 2.754 1.067 ( -2.339 -2.185 -0.171) 3.205 1.191 ( -1.480 -4.241 3.541) 5.720 1.277 ( -0.895 -0.314 -3.471) 3.598 1.405 ( 1.172 0.033 -2.433) 2.701 1.456 ( 0.674 -3.643 1.645) 4.053 1.545 ( 0.285 -2.020 -1.635) 2.615 1.624 ( 10.376 6.239 4.036) 12.762 1.734 ( 1.365 1.225 -0.515) 1.905 1.799 ( -3.116 -0.374 0.594) 3.194 1.876 ( -1.274 -3.173 -0.427) 3.446 1.922 ( -1.674 -2.981 -1.981) 3.952 1.945 ( -1.106 -2.205 0.062) 2.468 1.956 ( 3.252 -0.619 0.475) 3.345 2.038 ( 3.669 -0.800 4.429) 5.807 2.109 ( -2.256 2.095 -0.985) 3.232 2.143 ( 0.814 1.681 2.055) 2.777 2.172 ( -0.575 1.695 -0.686) 1.917 2.260 ( -0.695 -0.106 -0.962) 1.192 2.274 ( -2.870 -0.248 -0.855) 3.005 2.284 ( -0.056 -0.538 -1.273) 1.383 3.486 ( -0.251 1.067 0.019) 1.096 3.503 ( -1.028 0.384 -0.047) 1.098 3.741 ( 0.536 1.330 0.171) 1.444 3.753 ( 0.120 0.824 -0.092) 0.838 4.782 ( -0.040 0.443 -0.035) 0.446 4.792 ( -0.301 0.065 0.035) 0.310 5.187 ( -0.198 -0.103 0.026) 0.225 5.196 ( -0.512 -0.505 -0.027) 0.719 6.696 ( -0.021 0.533 0.014) 0.534 6.721 ( -0.779 -0.542 -0.097) 0.954 6.922 ( 0.059 -0.117 -0.118) 0.177 6.926 ( -0.073 -0.369 0.184) 0.419 7.105 ( -0.309 0.208 0.177) 0.412 7.117 ( -0.320 -0.319 -0.274) 0.528 7.678 ( 0.192 0.305 -0.029) 0.361 7.685 ( -0.050 0.035 0.074) 0.096 8.103 ( -0.339 0.229 0.047) 0.412 8.105 ( -0.390 0.129 -0.003) 0.411 8.421 ( 0.837 -0.293 0.053) 0.888 8.435 ( 0.213 -0.939 -0.021) 0.963 8.953 ( 0.872 0.852 0.355) 1.270 8.977 ( 0.574 -0.386 -0.439) 0.819 9.631 ( -0.185 0.682 0.064) 0.709 9.635 ( -0.105 0.534 -0.158) 0.566 10.149 ( -1.298 2.118 2.421) 3.469 10.242 ( -1.318 -2.671 -1.755) 3.457 10.780 ( -0.095 0.007 -0.177) 0.201 10.791 ( -0.541 -0.373 -0.221) 0.693 10.880 ( 0.172 0.686 0.140) 0.721 10.912 ( -0.581 0.602 -0.277) 0.881 10.932 ( -0.119 -1.173 -0.033) 1.180 10.936 ( -0.669 -0.111 0.028) 0.678 12.423 ( 0.263 1.590 0.175) 1.621 12.464 ( -1.077 -0.168 0.088) 1.093 13.074 ( -0.252 1.174 -0.002) 1.200 13.087 ( -0.981 0.596 -0.068) 1.150 14.419 ( 0.270 1.164 0.316) 1.236 14.449 ( 0.156 -0.010 -0.743) 0.759 15.114 ( 0.201 3.674 1.118) 3.845 15.176 ( 0.174 0.849 -1.474) 1.710 15.947 ( 2.370 1.925 3.055) 4.319 16.027 ( 3.711 -2.621 -1.564) 4.805 16.419 ( 1.315 1.483 1.558) 2.520 16.524 ( 1.995 -2.734 -2.586) 4.259 17.003 ( 1.914 0.737 0.877) 2.231 17.046 ( 1.629 -1.004 0.319) 1.940 17.251 ( -1.506 -0.031 0.786) 1.699 17.345 ( -4.392 -4.559 -3.844) 7.407 17.660 ( -3.510 5.989 1.124) 7.032 17.816 ( -9.024 -1.300 1.201) 9.196 18.073 ( -0.093 0.691 0.339) 0.776 18.119 ( -1.546 -1.281 -0.299) 2.030 18.815 ( -1.342 0.525 -0.139) 1.447 18.823 ( -1.572 0.264 0.088) 1.597 19.659 ( -0.879 1.574 -0.168) 1.811 19.693 ( -2.833 0.272 0.136) 2.849 20.093 ( 4.327 -2.802 1.069) 5.265 20.164 ( 3.327 -6.044 -1.199) 7.002 21.581 ( -0.851 0.176 -0.021) 0.870 21.585 ( -0.959 0.052 0.033) 0.961 ======================= Grid point 134 (66/110) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.620 -1.106 -2.391) 3.716 0.845 ( 0.511 -3.805 -2.684) 4.684 0.926 ( 2.259 -6.824 2.821) 7.722 1.005 ( 4.047 -6.015 0.959) 7.312 1.041 ( -0.326 0.382 3.081) 3.122 1.174 ( -0.377 -4.700 0.248) 4.721 1.279 ( 1.127 0.675 -0.811) 1.544 1.398 ( -1.719 -0.920 -4.065) 4.508 1.448 ( -1.487 -1.536 1.664) 2.709 1.555 ( 1.306 -2.529 -1.803) 3.369 1.687 ( -6.052 1.410 -0.503) 6.234 1.743 ( -0.074 -1.622 -1.313) 2.088 1.813 ( 2.411 1.877 3.920) 4.970 1.844 ( 2.646 0.467 1.647) 3.152 1.882 ( -0.133 0.537 -2.428) 2.490 1.947 ( -1.277 2.619 0.319) 2.931 2.010 ( 1.496 -1.653 -0.886) 2.399 2.070 ( -1.240 0.216 -0.664) 1.423 2.098 ( 1.069 -1.139 3.300) 3.651 2.125 ( -1.544 -1.175 3.435) 3.945 2.194 ( 2.517 1.217 -0.642) 2.868 2.224 ( -1.532 -0.143 -1.424) 2.096 2.250 ( -0.341 0.880 -0.558) 1.097 2.290 ( 0.308 -1.015 -1.849) 2.132 3.485 ( -0.068 0.798 0.091) 0.806 3.491 ( 0.057 0.578 -0.134) 0.596 3.746 ( -0.053 1.259 0.208) 1.277 3.754 ( 0.061 0.988 -0.143) 1.000 4.784 ( 0.148 0.298 0.085) 0.343 4.787 ( -0.146 0.184 -0.078) 0.247 5.186 ( 0.052 -0.204 0.059) 0.219 5.189 ( -0.070 -0.405 -0.064) 0.416 6.699 ( 0.138 0.137 0.204) 0.281 6.710 ( -0.158 -0.386 -0.287) 0.506 6.924 ( 0.065 -0.232 0.046) 0.246 6.925 ( -0.031 -0.263 0.045) 0.269 7.102 ( -0.018 0.230 0.203) 0.307 7.114 ( 0.027 -0.265 -0.292) 0.395 7.681 ( 0.092 0.237 0.045) 0.259 7.684 ( -0.092 0.132 -0.015) 0.162 8.100 ( -0.019 0.226 0.051) 0.232 8.101 ( 0.019 0.157 -0.008) 0.158 8.431 ( -0.084 -0.509 0.112) 0.528 8.435 ( 0.093 -0.726 -0.077) 0.736 8.962 ( -0.061 0.763 0.396) 0.861 8.982 ( 0.056 -0.249 -0.468) 0.533 9.629 ( -0.094 0.733 0.059) 0.741 9.634 ( 0.083 0.492 -0.157) 0.523 10.139 ( -0.285 2.064 2.238) 3.058 10.227 ( 0.224 -2.388 -1.626) 2.898 10.780 ( 0.029 -0.092 -0.153) 0.181 10.783 ( -0.083 -0.184 -0.297) 0.359 10.886 ( 0.381 0.683 0.238) 0.818 10.903 ( -0.246 0.621 -0.290) 0.729 10.926 ( -0.266 0.050 0.121) 0.296 10.933 ( 0.161 -1.327 -0.141) 1.344 12.433 ( 0.429 1.094 0.432) 1.251 12.447 ( -0.426 0.375 -0.185) 0.597 13.073 ( 0.051 0.890 0.025) 0.891 13.076 ( -0.033 0.803 -0.080) 0.807 14.423 ( 0.045 1.081 0.377) 1.145 14.448 ( 0.004 0.007 -0.758) 0.758 15.116 ( -0.225 3.662 1.099) 3.830 15.174 ( -0.019 0.990 -1.533) 1.826 15.972 ( -0.615 1.837 2.830) 3.429 16.067 ( 0.668 -3.142 -1.286) 3.460 16.432 ( -0.298 1.516 1.567) 2.201 16.538 ( 0.087 -2.755 -2.972) 4.053 17.036 ( 0.713 0.470 1.569) 1.786 17.062 ( -0.381 -0.210 0.546) 0.698 17.233 ( -0.343 0.160 -0.255) 0.457 17.300 ( 0.968 -3.346 -2.860) 4.506 17.647 ( -0.185 2.844 2.175) 3.586 17.698 ( -0.144 -0.066 -0.190) 0.247 18.073 ( 0.005 0.500 0.478) 0.692 18.101 ( -0.420 -0.771 -0.763) 1.163 18.804 ( 0.183 0.334 0.064) 0.386 18.806 ( -0.108 0.322 -0.027) 0.340 19.654 ( 0.253 0.754 0.092) 0.801 19.661 ( -0.281 0.402 -0.080) 0.497 20.128 ( -1.090 -1.915 1.677) 2.769 20.207 ( 1.140 -6.290 -1.793) 6.640 21.574 ( -0.001 0.066 0.004) 0.066 21.574 ( 0.014 0.039 -0.007) 0.042 ======================= Grid point 135 (67/110) ======================= q-point: (-0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -4.254 0.134 -1.903) 4.662 0.855 ( 1.592 -5.340 0.167) 5.575 0.968 ( 0.433 -3.964 -3.127) 5.067 1.051 ( 3.682 -1.595 0.359) 4.029 1.101 ( 2.598 -3.497 2.994) 5.286 1.205 ( 3.752 -3.626 1.655) 5.474 1.266 ( -4.251 -0.187 -3.748) 5.671 1.317 ( -2.684 -0.052 -1.316) 2.990 1.428 ( -1.401 0.915 0.840) 1.873 1.573 ( 0.895 -0.962 -1.382) 1.907 1.627 ( -1.293 0.112 4.379) 4.568 1.720 ( -2.530 -2.837 -1.686) 4.158 1.769 ( -4.764 3.563 1.019) 6.036 1.825 ( -0.563 -1.311 -0.183) 1.438 1.920 ( -1.318 -0.171 -0.233) 1.349 1.988 ( 2.066 0.094 1.913) 2.817 2.012 ( 2.643 0.827 -1.768) 3.286 2.034 ( -3.057 -1.784 -1.250) 3.753 2.102 ( -0.474 -0.518 4.815) 4.866 2.138 ( 1.570 -1.741 1.277) 2.670 2.200 ( -1.765 1.825 -1.354) 2.877 2.245 ( 2.623 1.480 -0.256) 3.023 2.263 ( 2.784 -0.391 -1.209) 3.060 2.280 ( -0.615 -0.603 -1.643) 1.855 3.485 ( 0.234 1.096 0.017) 1.121 3.503 ( 1.020 0.357 -0.045) 1.081 3.740 ( -0.554 1.341 0.156) 1.460 3.755 ( -0.055 0.809 -0.077) 0.815 4.786 ( 0.079 0.319 -0.207) 0.388 4.788 ( 0.245 0.192 0.207) 0.373 5.188 ( 0.189 -0.166 0.038) 0.254 5.194 ( 0.500 -0.450 -0.038) 0.674 6.698 ( -0.011 0.371 0.030) 0.373 6.718 ( 0.783 -0.408 -0.113) 0.890 6.922 ( -0.147 -0.087 -0.065) 0.183 6.928 ( 0.206 -0.379 0.131) 0.451 7.105 ( 0.282 0.174 0.193) 0.383 7.117 ( 0.352 -0.319 -0.290) 0.557 7.681 ( -0.139 0.238 -0.096) 0.291 7.683 ( -0.003 0.164 0.142) 0.217 8.103 ( 0.330 0.243 0.048) 0.412 8.106 ( 0.395 0.118 -0.005) 0.412 8.420 ( -0.841 -0.246 0.050) 0.878 8.436 ( -0.191 -0.954 -0.019) 0.973 8.953 ( -0.924 0.812 0.374) 1.286 8.977 ( -0.533 -0.444 -0.458) 0.831 9.628 ( 0.042 0.772 0.011) 0.774 9.637 ( 0.234 0.383 -0.106) 0.461 10.148 ( 0.621 2.080 2.384) 3.224 10.243 ( 1.868 -2.596 -1.717) 3.630 10.778 ( 0.051 0.073 -0.188) 0.208 10.788 ( 0.532 -0.254 -0.206) 0.624 10.894 ( 0.278 0.480 0.570) 0.795 10.902 ( 0.363 0.841 -0.666) 1.133 10.925 ( 0.209 -0.060 -0.086) 0.234 10.939 ( 0.386 -1.248 0.037) 1.307 12.431 ( -0.253 1.170 0.191) 1.212 12.458 ( 1.060 0.145 0.071) 1.073 13.074 ( 0.244 1.176 -0.002) 1.201 13.087 ( 1.023 0.627 -0.069) 1.202 14.422 ( -0.275 1.193 0.454) 1.306 14.446 ( -0.081 0.071 -0.884) 0.890 15.111 ( -0.570 3.487 1.264) 3.753 15.168 ( -0.294 0.770 -1.610) 1.808 15.937 ( -3.528 2.392 2.447) 4.915 16.046 ( -2.512 -2.775 -0.956) 3.864 16.417 ( -1.642 1.397 1.721) 2.759 16.513 ( -1.917 -2.728 -2.742) 4.317 17.029 ( -1.765 -0.109 1.110) 2.088 17.035 ( -2.040 -0.335 0.257) 2.084 17.244 ( 1.728 0.747 -0.102) 1.885 17.366 ( 5.995 -4.978 -3.218) 8.431 17.656 ( 2.840 5.889 1.140) 6.637 17.823 ( 9.838 -1.506 1.301) 10.038 18.076 ( 0.222 0.104 1.006) 1.035 18.094 ( -0.117 -0.665 -1.009) 1.214 18.817 ( 1.419 0.593 -0.174) 1.548 18.824 ( 1.766 0.267 0.124) 1.791 19.663 ( 1.074 1.304 -0.153) 1.696 19.687 ( 2.373 0.052 0.111) 2.377 20.066 ( -5.252 -0.903 0.585) 5.361 20.193 ( -2.083 -7.439 -0.706) 7.757 21.582 ( 0.874 0.165 -0.022) 0.889 21.585 ( 0.953 0.034 0.035) 0.954 ======================= Grid point 136 (68/110) ======================= q-point: (-0.30 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -2.453 5.200 -2.243) 6.172 0.898 ( 2.163 -3.144 1.301) 4.032 0.931 ( -2.978 4.846 -6.479) 8.622 1.107 ( 2.309 -6.299 -3.241) 7.451 1.156 ( -1.097 -1.936 2.338) 3.228 1.186 ( 3.010 4.136 1.711) 5.394 1.288 ( -1.173 0.209 -1.448) 1.875 1.300 ( 3.700 -3.782 0.042) 5.291 1.398 ( -1.442 -1.716 3.319) 4.005 1.568 ( -5.652 0.203 -5.105) 7.619 1.573 ( -1.887 1.223 -1.924) 2.960 1.644 ( -1.934 1.462 2.670) 3.607 1.720 ( -1.882 -0.541 5.071) 5.435 1.826 ( -1.407 -4.212 2.255) 4.980 1.860 ( -3.883 0.378 2.116) 4.438 1.950 ( -4.611 -0.907 -1.687) 4.993 2.007 ( -0.758 -5.805 -0.930) 5.928 2.059 ( 1.595 -0.619 1.932) 2.581 2.120 ( 0.967 0.901 1.231) 1.806 2.148 ( -1.995 3.483 -2.475) 4.715 2.185 ( 2.689 -0.727 1.489) 3.158 2.266 ( 0.917 -0.715 -2.414) 2.680 2.297 ( 2.461 1.748 0.006) 3.019 2.348 ( 5.640 -0.265 -0.955) 5.726 3.494 ( 0.645 1.436 0.021) 1.574 3.525 ( 1.114 0.196 -0.006) 1.131 3.728 ( -0.685 1.423 0.146) 1.586 3.751 ( -0.249 0.523 -0.057) 0.582 4.790 ( 0.348 0.433 -0.259) 0.612 4.794 ( 0.410 0.175 0.251) 0.512 5.194 ( 0.448 -0.067 0.056) 0.457 5.206 ( 0.674 -0.547 -0.054) 0.870 6.702 ( 0.446 0.877 -0.067) 0.986 6.734 ( 0.777 -0.379 -0.020) 0.865 6.919 ( -0.065 0.094 -0.072) 0.135 6.933 ( 0.201 -0.462 0.084) 0.511 7.114 ( 0.517 0.062 0.145) 0.541 7.125 ( 0.586 -0.471 -0.255) 0.794 7.678 ( -0.091 0.302 -0.137) 0.344 7.683 ( 0.040 0.102 0.255) 0.277 8.112 ( 0.584 0.219 0.055) 0.626 8.115 ( 0.567 0.074 -0.005) 0.572 8.402 ( -0.974 -0.030 0.056) 0.976 8.427 ( -0.741 -1.104 -0.021) 1.330 8.930 ( -1.580 0.861 0.343) 1.831 8.957 ( -1.446 -0.691 -0.476) 1.671 9.631 ( 0.260 0.784 -0.013) 0.826 9.643 ( 0.361 0.285 -0.094) 0.470 10.171 ( 1.120 2.188 2.797) 3.723 10.288 ( 3.114 -3.415 -1.954) 5.018 10.783 ( 0.494 0.281 -0.103) 0.578 10.801 ( 0.830 -0.430 -0.177) 0.952 10.898 ( 0.108 0.355 0.478) 0.606 10.914 ( 0.879 0.941 -0.729) 1.480 10.932 ( 0.426 -0.173 -0.280) 0.538 10.947 ( 0.437 -1.088 0.208) 1.191 12.433 ( 0.542 1.459 0.055) 1.557 12.480 ( 1.226 -0.389 0.231) 1.307 13.082 ( 0.453 1.641 0.013) 1.703 13.112 ( 1.462 0.315 -0.126) 1.501 14.414 ( -0.653 1.494 0.526) 1.713 14.441 ( -0.116 0.116 -1.054) 1.067 15.101 ( -0.736 3.086 1.496) 3.508 15.155 ( -0.650 0.442 -1.604) 1.786 15.858 ( -4.800 3.357 1.967) 6.179 15.975 ( -4.348 -1.689 -0.514) 4.693 16.379 ( -2.613 1.069 1.859) 3.381 16.456 ( -3.202 -2.387 -2.249) 4.584 16.987 ( -2.312 -1.008 0.550) 2.581 17.001 ( -1.322 -1.206 0.153) 1.796 17.299 ( 3.640 1.748 0.463) 4.064 17.489 ( 7.301 -7.195 -5.345) 11.560 17.752 ( 6.069 9.710 1.508) 11.549 18.012 ( 6.733 -1.042 -0.124) 6.814 18.090 ( -0.035 -0.885 -0.535) 1.035 18.106 ( 4.149 -2.737 3.509) 6.085 18.859 ( 2.977 0.927 -0.333) 3.136 18.871 ( 3.051 0.358 0.065) 3.073 19.688 ( 1.020 3.044 -0.636) 3.272 19.740 ( 2.632 0.026 0.404) 2.663 19.956 ( -5.001 -0.313 -1.059) 5.121 20.139 ( -2.921 -8.990 1.004) 9.506 21.603 ( 1.166 0.264 -0.095) 1.199 21.607 ( 1.251 0.105 0.140) 1.263 ======================= Grid point 137 (69/110) ======================= q-point: (-0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 2.485 12.212 -1.548) 12.558 0.839 ( -3.280 10.794 -5.720) 12.649 0.952 ( 2.430 3.727 3.476) 5.646 1.127 ( -1.565 -0.013 1.179) 1.959 1.181 ( 4.594 -6.150 -4.219) 8.759 1.213 ( -2.601 0.390 2.422) 3.576 1.270 ( 0.452 4.417 -4.106) 6.048 1.320 ( -0.036 -5.581 -1.067) 5.683 1.413 ( -1.504 1.631 1.995) 2.984 1.450 ( -0.995 -2.590 -1.137) 2.998 1.510 ( -4.483 -0.187 -2.797) 5.288 1.651 ( 1.469 -1.374 0.989) 2.241 1.692 ( -2.432 -0.081 4.773) 5.357 1.748 ( -5.008 -5.372 -0.227) 7.347 1.806 ( -4.044 -1.281 6.144) 7.466 1.870 ( -2.960 1.643 0.622) 3.442 1.943 ( -4.518 -3.571 -2.221) 6.172 2.055 ( -2.810 1.013 -1.981) 3.585 2.127 ( 0.736 0.586 1.919) 2.138 2.141 ( 0.625 2.020 -1.284) 2.474 2.247 ( 2.671 -0.908 2.414) 3.712 2.323 ( 4.507 -2.848 0.143) 5.334 2.336 ( 2.233 3.516 -0.305) 4.176 2.469 ( 7.174 -2.661 -3.051) 8.238 3.508 ( 0.754 1.594 0.040) 1.764 3.542 ( 0.548 0.227 0.045) 0.595 3.717 ( -0.441 1.432 0.123) 1.503 3.745 ( -0.419 0.345 -0.091) 0.550 4.798 ( 0.500 0.563 -0.141) 0.766 4.805 ( 0.592 0.209 0.132) 0.641 5.204 ( 0.512 0.000 0.116) 0.525 5.218 ( 0.589 -0.595 -0.122) 0.847 6.714 ( 0.773 1.175 -0.077) 1.409 6.745 ( 0.416 -0.119 -0.026) 0.434 6.919 ( 0.061 0.265 0.034) 0.274 6.937 ( 0.201 -0.386 -0.057) 0.439 7.125 ( 0.625 -0.104 0.075) 0.638 7.137 ( 0.610 -0.679 -0.174) 0.929 7.678 ( 0.129 0.314 -0.056) 0.344 7.686 ( 0.148 -0.030 0.347) 0.378 8.124 ( 0.582 0.155 0.070) 0.606 8.126 ( 0.522 0.043 0.002) 0.524 8.385 ( -0.765 0.000 0.093) 0.771 8.410 ( -1.010 -1.051 -0.026) 1.458 8.896 ( -1.929 0.884 0.203) 2.132 8.920 ( -2.257 -0.557 -0.419) 2.362 9.638 ( 0.454 0.783 -0.028) 0.905 9.650 ( 0.415 0.271 -0.132) 0.513 10.201 ( 1.114 2.327 3.420) 4.284 10.348 ( 3.414 -4.818 -2.297) 6.336 10.796 ( 0.826 0.287 -0.043) 0.875 10.818 ( 0.985 -0.675 -0.255) 1.221 10.902 ( 0.204 0.565 0.345) 0.693 10.931 ( 1.110 0.572 -0.705) 1.434 10.938 ( 0.254 -0.177 -0.429) 0.530 10.955 ( 0.217 -0.891 0.303) 0.965 12.453 ( 1.532 1.518 0.015) 2.156 12.505 ( 1.203 -0.586 0.291) 1.369 13.091 ( 0.460 2.026 0.092) 2.080 13.138 ( 1.144 -0.170 -0.259) 1.185 14.401 ( -0.868 1.879 0.656) 2.171 14.436 ( -0.113 0.087 -1.184) 1.192 15.090 ( -0.709 2.579 1.338) 2.990 15.138 ( -0.698 0.223 -1.230) 1.431 15.776 ( -3.807 4.266 1.673) 5.957 15.886 ( -4.644 -0.204 0.136) 4.650 16.328 ( -2.998 0.601 1.584) 3.444 16.386 ( -3.410 -1.968 -1.755) 4.310 16.953 ( -1.306 -0.902 0.877) 1.813 16.990 ( 0.089 -1.703 0.224) 1.720 17.370 ( 3.262 2.106 0.388) 3.902 17.604 ( 6.079 -8.521 -8.113) 13.243 17.875 ( 5.890 10.509 2.684) 12.343 18.056 ( 0.680 0.684 -0.891) 1.313 18.086 ( -0.103 -0.796 -1.071) 1.338 18.233 ( 4.036 -7.041 5.467) 9.786 18.922 ( 3.255 0.978 -0.134) 3.402 18.937 ( 3.545 0.416 -0.065) 3.570 19.670 ( -2.128 5.981 -1.276) 6.475 19.781 ( 1.491 0.557 -1.435) 2.143 19.914 ( 0.989 -1.277 -0.829) 1.816 20.120 ( 1.054 -9.303 3.248) 9.910 21.621 ( 0.744 0.360 -0.151) 0.840 21.629 ( 0.850 0.014 0.216) 0.877 ======================= Grid point 138 (70/110) ======================= q-point: (-0.10 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 1.624 12.798 4.110) 13.539 0.823 ( 4.442 14.742 -7.107) 16.958 0.986 ( -1.788 11.370 4.347) 12.303 1.092 ( 0.352 2.968 -2.105) 3.656 1.133 ( -3.322 -1.485 -4.311) 5.642 1.249 ( -1.185 0.705 1.898) 2.346 1.288 ( 3.491 -3.637 -3.867) 6.354 1.314 ( 0.382 -4.836 1.021) 4.958 1.369 ( -0.753 4.499 -1.906) 4.944 1.409 ( -4.853 -1.351 -0.149) 5.040 1.477 ( 0.573 -7.782 1.405) 7.928 1.621 ( -4.405 -3.192 -1.257) 5.583 1.660 ( -0.986 -1.104 0.469) 1.553 1.685 ( -2.622 0.040 1.679) 3.114 1.777 ( 0.508 -1.278 5.539) 5.707 1.842 ( -0.519 -1.220 2.699) 3.007 1.858 ( -3.228 1.081 -2.475) 4.209 1.975 ( -3.864 3.025 -3.910) 6.275 2.135 ( -0.797 1.636 0.380) 1.859 2.155 ( 1.143 -1.486 0.593) 1.966 2.284 ( 0.454 0.407 2.665) 2.734 2.367 ( 1.556 1.905 2.101) 3.235 2.423 ( 4.113 -2.390 0.779) 4.820 2.591 ( 5.812 -5.752 -4.836) 9.500 3.522 ( 0.719 1.443 0.060) 1.613 3.544 ( -0.244 0.536 0.080) 0.595 3.713 ( -0.016 1.289 0.113) 1.294 3.735 ( -0.488 0.401 -0.192) 0.660 4.808 ( 0.533 0.641 -0.053) 0.835 4.815 ( 0.334 0.280 0.018) 0.436 5.213 ( 0.336 0.023 0.219) 0.402 5.227 ( 0.327 -0.594 -0.231) 0.716 6.730 ( 0.786 1.115 -0.046) 1.365 6.749 ( -0.043 0.266 -0.077) 0.280 6.922 ( 0.145 0.438 0.199) 0.503 6.940 ( 0.121 -0.182 -0.197) 0.294 7.137 ( 0.546 -0.358 0.053) 0.655 7.146 ( 0.326 -0.817 -0.111) 0.887 7.683 ( 0.358 0.172 0.121) 0.416 7.689 ( 0.024 -0.164 0.406) 0.439 8.133 ( 0.321 0.108 0.072) 0.346 8.134 ( 0.313 0.015 0.027) 0.315 8.375 ( -0.315 -0.137 0.155) 0.377 8.391 ( -0.826 -0.837 -0.034) 1.176 8.862 ( -1.408 0.969 -0.069) 1.710 8.876 ( -1.963 0.115 -0.195) 1.976 9.647 ( 0.433 0.753 -0.052) 0.870 9.657 ( 0.275 0.339 -0.185) 0.474 10.227 ( 0.609 2.380 4.124) 4.801 10.399 ( 2.283 -6.182 -2.719) 7.129 10.811 ( 0.612 0.028 -0.069) 0.617 10.834 ( 0.670 -0.992 -0.554) 1.319 10.910 ( 0.619 0.826 0.149) 1.043 10.936 ( -0.374 0.210 -0.335) 0.544 10.952 ( 0.799 -0.662 -0.085) 1.041 10.957 ( 0.257 -0.543 -0.256) 0.653 12.489 ( 2.013 1.190 0.071) 2.340 12.524 ( 0.536 -0.284 0.280) 0.668 13.100 ( 0.510 1.969 0.373) 2.068 13.150 ( 0.214 -0.555 -0.558) 0.815 14.387 ( -0.638 2.180 0.868) 2.431 14.432 ( 0.013 0.004 -1.189) 1.189 15.084 ( -0.123 2.167 0.869) 2.338 15.124 ( -0.491 0.138 -0.764) 0.919 15.731 ( -1.295 4.558 1.906) 5.107 15.807 ( -3.518 1.358 0.827) 3.860 16.279 ( -2.289 0.272 0.982) 2.505 16.325 ( -2.301 -1.707 -1.456) 3.214 16.940 ( -0.381 -0.109 1.389) 1.444 17.000 ( 0.709 -1.791 0.456) 1.979 17.418 ( 1.503 2.212 0.137) 2.677 17.675 ( 3.440 -8.283 -10.347) 13.693 17.985 ( 4.399 5.914 4.334) 8.551 18.070 ( 1.642 0.861 -1.187) 2.201 18.081 ( -0.165 -0.597 -0.805) 1.016 18.242 ( -3.824 -6.136 4.065) 8.294 18.972 ( 1.623 1.076 0.439) 1.997 18.991 ( 1.746 0.547 0.165) 1.837 19.649 ( 0.727 5.715 -2.216) 6.172 19.774 ( -0.891 -0.221 -5.980) 6.050 19.977 ( 4.289 -0.301 5.157) 6.714 20.174 ( 2.378 -8.016 2.999) 8.883 21.631 ( 0.360 0.281 -0.119) 0.472 21.637 ( -0.010 -0.033 0.158) 0.162 ======================= Grid point 139 (71/110) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -0.052 -8.511 0.502) 8.526 0.941 ( -0.052 8.511 0.502) 8.526 1.123 ( -3.088 -4.563 -1.508) 5.713 1.123 ( -3.088 4.563 -1.508) 5.713 1.176 ( -0.717 -1.197 -2.370) 2.750 1.176 ( -0.717 1.197 -2.370) 2.750 1.280 ( 4.571 -7.778 0.055) 9.022 1.280 ( 4.571 7.778 0.055) 9.022 1.357 ( 3.011 -5.241 -4.799) 7.717 1.357 ( 3.011 5.241 -4.799) 7.717 1.466 ( -0.885 -5.324 2.291) 5.863 1.466 ( -0.885 5.324 2.291) 5.863 1.679 ( -0.733 -2.149 1.221) 2.578 1.679 ( -0.733 2.149 1.221) 2.578 1.762 ( -1.571 -1.459 2.421) 3.234 1.762 ( -1.571 1.459 2.421) 3.234 1.922 ( -1.329 -3.783 1.118) 4.163 1.922 ( -1.329 3.783 1.118) 4.163 2.138 ( 0.204 -1.846 1.380) 2.314 2.138 ( 0.204 1.846 1.380) 2.314 2.352 ( 0.275 -4.570 2.512) 5.222 2.352 ( 0.275 4.570 2.512) 5.222 2.511 ( 0.446 -6.123 -4.244) 7.463 2.511 ( 0.446 6.123 -4.244) 7.463 3.546 ( -0.001 -0.066 0.077) 0.102 3.546 ( -0.001 0.066 0.077) 0.102 3.730 ( -0.045 -0.393 -0.057) 0.400 3.730 ( -0.045 0.393 -0.057) 0.400 4.821 ( 0.012 -0.075 -0.006) 0.076 4.821 ( 0.012 0.075 -0.006) 0.076 5.220 ( 0.004 -0.354 -0.021) 0.355 5.220 ( 0.004 0.354 -0.021) 0.355 6.750 ( 0.021 -0.160 -0.037) 0.166 6.750 ( 0.021 0.160 -0.037) 0.166 6.935 ( 0.014 -0.453 0.049) 0.456 6.935 ( 0.014 0.453 0.049) 0.456 7.138 ( 0.020 -0.170 -0.059) 0.181 7.138 ( 0.020 0.170 -0.059) 0.181 7.687 ( -0.065 -0.117 0.302) 0.330 7.687 ( -0.065 0.117 0.302) 0.330 8.137 ( -0.001 -0.027 0.059) 0.065 8.137 ( -0.001 0.027 0.059) 0.065 8.373 ( -0.033 -0.226 0.096) 0.248 8.373 ( -0.033 0.226 0.096) 0.248 8.859 ( 0.054 -0.027 -0.100) 0.117 8.859 ( 0.054 0.027 -0.100) 0.117 9.661 ( 0.037 -0.182 -0.187) 0.263 9.661 ( 0.037 0.182 -0.187) 0.263 10.308 ( -0.051 -4.580 0.644) 4.625 10.308 ( -0.051 4.580 0.644) 4.625 10.822 ( 0.011 -0.662 -0.630) 0.913 10.822 ( 0.011 0.662 -0.630) 0.913 10.929 ( -0.377 -0.195 -0.248) 0.491 10.929 ( -0.377 0.195 -0.248) 0.491 10.952 ( 0.393 -0.651 0.075) 0.765 10.952 ( 0.393 0.651 0.075) 0.765 12.525 ( -0.007 -0.055 0.189) 0.197 12.525 ( -0.007 0.055 0.189) 0.197 13.134 ( 0.006 -0.979 -0.052) 0.980 13.134 ( 0.006 0.979 -0.052) 0.980 14.418 ( 0.079 -1.353 0.042) 1.356 14.418 ( 0.079 1.353 0.042) 1.356 15.112 ( 0.252 -0.737 -0.498) 0.924 15.112 ( 0.252 0.737 -0.498) 0.924 15.783 ( -0.235 -1.126 2.140) 2.430 15.783 ( -0.235 1.126 2.140) 2.430 16.269 ( -0.054 -1.352 -0.489) 1.439 16.269 ( -0.054 1.352 -0.489) 1.439 16.970 ( -0.046 -2.251 2.644) 3.473 16.970 ( -0.046 2.251 2.644) 3.473 17.526 ( 0.397 -7.650 -6.740) 10.203 17.526 ( 0.397 7.650 -6.740) 10.203 18.051 ( -1.095 -1.101 1.635) 2.255 18.051 ( -1.095 1.101 1.635) 2.255 18.147 ( 1.182 -1.264 0.736) 1.881 18.147 ( 1.182 1.264 0.736) 1.881 19.004 ( -0.439 -0.647 0.613) 0.994 19.004 ( -0.439 0.647 0.613) 0.994 19.726 ( 0.997 -2.131 -4.680) 5.238 19.726 ( 0.997 2.131 -4.680) 5.238 20.085 ( -1.018 -3.407 4.855) 6.018 20.085 ( -1.018 3.407 4.855) 6.018 21.636 ( 0.031 -0.206 -0.045) 0.213 21.636 ( 0.031 0.206 -0.045) 0.213 ======================= Grid point 141 (72/110) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.303 -6.534 2.014) 6.961 0.961 ( 1.303 6.534 2.014) 6.961 1.038 ( -3.626 -10.721 -2.878) 11.678 1.038 ( -3.626 10.721 -2.878) 11.678 1.152 ( -2.223 -3.102 -1.846) 4.239 1.152 ( -2.223 3.102 -1.846) 4.239 1.363 ( 4.282 -7.543 -2.550) 9.040 1.363 ( 4.282 7.543 -2.550) 9.040 1.409 ( 2.799 -3.943 -4.374) 6.520 1.409 ( 2.799 3.943 -4.374) 6.520 1.477 ( 0.388 -2.064 2.531) 3.289 1.477 ( 0.388 2.064 2.531) 3.289 1.669 ( 0.007 -4.442 2.340) 5.020 1.669 ( 0.007 4.442 2.340) 5.020 1.756 ( 1.224 -2.680 4.006) 4.972 1.756 ( 1.224 2.680 4.006) 4.972 1.914 ( 0.239 -2.674 -0.173) 2.690 1.914 ( 0.239 2.674 -0.173) 2.690 2.160 ( 1.373 -2.857 1.685) 3.589 2.160 ( 1.373 2.857 1.685) 3.589 2.340 ( -2.050 -5.221 1.473) 5.799 2.340 ( -2.050 5.221 1.473) 5.799 2.475 ( -2.794 -5.236 -3.637) 6.960 2.475 ( -2.794 5.236 -3.637) 6.960 3.544 ( -0.268 -0.657 0.071) 0.713 3.544 ( -0.268 0.657 0.071) 0.713 3.731 ( 0.209 -0.577 -0.029) 0.614 3.731 ( 0.209 0.577 -0.029) 0.614 4.816 ( -0.440 -0.293 -0.003) 0.529 4.816 ( -0.440 0.293 -0.003) 0.529 5.217 ( -0.328 -0.406 -0.018) 0.522 5.217 ( -0.328 0.406 -0.018) 0.522 6.747 ( -0.374 -0.601 -0.030) 0.708 6.747 ( -0.374 0.601 -0.030) 0.708 6.933 ( -0.256 -0.308 0.016) 0.401 6.933 ( -0.256 0.308 0.016) 0.401 7.135 ( -0.306 -0.327 -0.055) 0.451 7.135 ( -0.306 0.327 -0.055) 0.451 7.685 ( -0.210 -0.373 0.258) 0.500 7.685 ( -0.210 0.373 0.258) 0.500 8.134 ( -0.315 -0.030 0.052) 0.320 8.134 ( -0.315 0.030 0.052) 0.320 8.377 ( 0.510 -0.393 0.077) 0.649 8.377 ( 0.510 0.393 0.077) 0.649 8.876 ( 1.547 -0.481 -0.084) 1.622 8.876 ( 1.547 0.481 -0.084) 1.622 9.658 ( -0.302 -0.110 -0.168) 0.362 9.658 ( -0.302 0.110 -0.168) 0.362 10.295 ( -1.344 -4.097 0.572) 4.350 10.295 ( -1.344 4.097 0.572) 4.350 10.816 ( -0.432 -0.763 -0.515) 1.017 10.816 ( -0.432 0.763 -0.515) 1.017 10.917 ( -0.661 -1.021 -0.046) 1.217 10.917 ( -0.661 1.021 -0.046) 1.217 10.959 ( 0.167 -0.750 -0.132) 0.780 10.959 ( 0.167 0.750 -0.132) 0.780 12.511 ( -1.303 -1.083 0.184) 1.704 12.511 ( -1.303 1.083 0.184) 1.704 13.132 ( -0.227 -1.167 -0.059) 1.190 13.132 ( -0.227 1.167 -0.059) 1.190 14.423 ( 0.351 -1.305 -0.045) 1.353 14.423 ( 0.351 1.305 -0.045) 1.353 15.121 ( 0.789 -1.168 -0.416) 1.469 15.121 ( 0.789 1.168 -0.416) 1.469 15.800 ( 1.538 -1.963 1.879) 3.123 15.800 ( 1.538 1.963 1.879) 3.123 16.291 ( 2.422 -1.848 -0.363) 3.068 16.291 ( 2.422 1.848 -0.363) 3.068 16.970 ( -0.446 -2.074 2.327) 3.149 16.970 ( -0.446 2.074 2.327) 3.149 17.497 ( -1.814 -7.461 -6.174) 9.853 17.497 ( -1.814 7.461 -6.174) 9.853 18.033 ( -1.176 -1.166 1.361) 2.143 18.033 ( -1.176 1.166 1.361) 2.143 18.170 ( 0.467 -5.564 1.125) 5.695 18.170 ( 0.467 5.564 1.125) 5.695 18.978 ( -2.326 -0.447 0.360) 2.395 18.978 ( -2.326 0.447 0.360) 2.395 19.750 ( 2.620 -1.785 -4.679) 5.652 19.750 ( 2.620 1.785 -4.679) 5.652 20.025 ( -5.779 -0.397 4.817) 7.534 20.025 ( -5.779 0.397 4.817) 7.534 21.636 ( -0.147 -0.404 -0.018) 0.430 21.636 ( -0.147 0.404 -0.018) 0.430 ======================= Grid point 143 (73/110) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.709 -6.098 -2.367) 8.060 0.914 ( -4.709 6.098 -2.367) 8.060 1.056 ( 2.938 -1.056 3.648) 4.801 1.056 ( 2.938 1.056 3.648) 4.801 1.076 ( -3.893 -2.147 -3.989) 5.973 1.076 ( -3.893 2.147 -3.989) 5.973 1.385 ( -1.136 -2.034 -4.609) 5.165 1.385 ( -1.136 2.034 -4.609) 5.165 1.470 ( 1.133 -4.833 -2.482) 5.550 1.470 ( 1.133 4.833 -2.481) 5.550 1.489 ( 3.930 -10.141 4.352) 11.714 1.489 ( 3.930 10.141 4.352) 11.714 1.713 ( 3.596 -5.898 1.361) 7.041 1.713 ( 3.596 5.898 1.361) 7.041 1.825 ( 4.195 -2.719 4.768) 6.908 1.825 ( 4.195 2.719 4.768) 6.908 1.927 ( 0.960 -0.836 -1.213) 1.759 1.927 ( 0.960 0.836 -1.213) 1.759 2.180 ( -0.064 -2.279 1.693) 2.840 2.180 ( -0.064 2.279 1.693) 2.840 2.285 ( -3.257 -4.876 -0.988) 5.946 2.285 ( -3.257 4.876 -0.988) 5.946 2.405 ( -3.547 -2.615 -1.775) 4.751 2.405 ( -3.547 2.615 -1.775) 4.751 3.535 ( -0.700 -0.971 0.044) 1.198 3.535 ( -0.700 0.971 0.044) 1.198 3.738 ( 0.474 -0.747 0.022) 0.885 3.738 ( 0.474 0.747 0.022) 0.885 4.806 ( -0.593 -0.389 -0.003) 0.709 4.806 ( -0.593 0.389 -0.003) 0.709 5.208 ( -0.545 -0.444 -0.011) 0.703 5.208 ( -0.545 0.444 -0.011) 0.703 6.736 ( -0.695 -0.960 -0.024) 1.185 6.736 ( -0.695 0.960 -0.024) 1.185 6.927 ( -0.279 -0.168 -0.017) 0.326 6.927 ( -0.279 0.168 -0.017) 0.326 7.127 ( -0.487 -0.409 -0.049) 0.637 7.127 ( -0.487 0.409 -0.049) 0.637 7.682 ( -0.114 -0.412 0.165) 0.458 7.682 ( -0.114 0.412 0.165) 0.458 8.126 ( -0.545 -0.056 0.038) 0.550 8.126 ( -0.545 0.056 0.038) 0.550 8.391 ( 0.856 -0.625 0.047) 1.061 8.391 ( 0.856 0.625 0.047) 1.061 8.911 ( 1.972 -0.803 -0.058) 2.130 8.911 ( 1.972 0.803 -0.058) 2.130 9.650 ( -0.401 -0.081 -0.127) 0.428 9.650 ( -0.401 0.081 -0.127) 0.428 10.262 ( -2.058 -3.399 0.429) 3.996 10.262 ( -2.058 3.399 0.429) 3.996 10.804 ( -0.636 -0.762 -0.303) 1.038 10.804 ( -0.636 0.762 -0.303) 1.038 10.907 ( -0.419 -1.427 0.063) 1.489 10.907 ( -0.419 1.427 0.063) 1.489 10.956 ( -0.413 -0.727 -0.249) 0.873 10.956 ( -0.413 0.727 -0.249) 0.873 12.484 ( -1.413 -1.707 0.180) 2.223 12.484 ( -1.413 1.707 0.180) 2.223 13.123 ( -0.715 -1.200 -0.062) 1.398 13.123 ( -0.715 1.200 -0.062) 1.398 14.430 ( 0.378 -1.152 -0.164) 1.224 14.430 ( 0.378 1.152 -0.164) 1.224 15.139 ( 1.038 -1.713 -0.306) 2.027 15.139 ( 1.038 1.713 -0.306) 2.027 15.849 ( 3.063 -2.238 1.458) 4.064 15.849 ( 3.063 2.238 1.458) 4.064 16.351 ( 3.570 -2.460 -0.231) 4.341 16.351 ( 3.570 2.460 -0.231) 4.341 16.970 ( 0.142 -1.594 1.501) 2.194 16.970 ( 0.142 1.594 1.501) 2.194 17.430 ( -3.641 -6.521 -4.706) 8.828 17.430 ( -3.641 6.521 -4.706) 8.828 18.002 ( -2.847 -2.985 1.430) 4.366 18.002 ( -2.847 2.985 1.430) 4.366 18.154 ( -2.389 -6.476 1.092) 6.988 18.154 ( -2.389 6.476 1.092) 6.988 18.924 ( -3.145 -0.032 -0.027) 3.145 18.924 ( -3.145 0.032 -0.027) 3.145 19.792 ( 1.472 -4.948 -4.373) 6.765 19.792 ( 1.472 4.948 -4.373) 6.765 19.933 ( -2.754 -5.562 4.399) 7.607 19.933 ( -2.754 5.562 4.399) 7.607 21.627 ( -0.801 -0.328 0.016) 0.866 21.627 ( -0.801 0.328 0.016) 0.866 ======================= Grid point 145 (74/110) ======================= q-point: ( 0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -3.241 -4.561 -2.380) 6.080 0.826 ( -3.241 4.561 -2.380) 6.080 0.981 ( -3.770 -3.229 -4.034) 6.396 0.981 ( -3.770 3.229 -4.034) 6.396 1.120 ( 0.774 -2.680 5.245) 5.941 1.120 ( 0.774 2.680 5.245) 5.941 1.338 ( -1.875 -2.444 -2.688) 4.088 1.338 ( -1.875 2.444 -2.688) 4.088 1.476 ( 1.026 -3.968 -2.308) 4.703 1.476 ( 1.026 3.968 -2.308) 4.703 1.608 ( 6.291 -9.905 4.472) 12.557 1.608 ( 6.291 9.905 4.472) 12.557 1.778 ( 2.368 -5.966 -1.220) 6.533 1.778 ( 2.368 5.966 -1.220) 6.533 1.917 ( 3.265 -1.110 4.714) 5.841 1.917 ( 3.265 1.110 4.714) 5.841 1.931 ( 0.325 -1.820 -2.185) 2.862 1.931 ( 0.325 1.820 -2.185) 2.862 2.169 ( -1.048 -1.355 1.355) 2.184 2.169 ( -1.048 1.355 1.355) 2.184 2.234 ( -1.342 -3.746 -1.997) 4.452 2.234 ( -1.342 3.746 -1.997) 4.452 2.335 ( -3.377 -0.760 -0.620) 3.516 2.335 ( -3.377 0.760 -0.620) 3.516 3.518 ( -0.947 -0.864 0.008) 1.282 3.518 ( -0.947 0.864 0.008) 1.282 3.748 ( 0.565 -0.622 0.048) 0.842 3.748 ( 0.565 0.622 0.048) 0.842 4.795 ( -0.433 -0.367 -0.003) 0.568 4.795 ( -0.433 0.367 -0.003) 0.568 5.197 ( -0.557 -0.383 -0.008) 0.676 5.197 ( -0.557 0.383 -0.008) 0.676 6.722 ( -0.779 -1.014 -0.032) 1.279 6.722 ( -0.779 1.014 -0.032) 1.279 6.923 ( -0.134 -0.102 0.002) 0.168 6.923 ( -0.134 0.102 0.002) 0.168 7.118 ( -0.457 -0.383 -0.048) 0.598 7.118 ( -0.457 0.383 -0.048) 0.598 7.682 ( 0.040 -0.310 0.087) 0.325 7.682 ( 0.040 0.310 0.087) 0.325 8.115 ( -0.566 -0.079 0.030) 0.573 8.115 ( -0.566 0.079 0.030) 0.573 8.408 ( 0.849 -0.650 0.033) 1.070 8.408 ( 0.849 0.650 0.033) 1.070 8.945 ( 1.510 -0.804 -0.048) 1.712 8.945 ( 1.510 0.804 -0.048) 1.712 9.643 ( -0.285 -0.091 -0.093) 0.314 9.643 ( -0.285 0.091 -0.093) 0.314 10.223 ( -1.968 -2.797 0.323) 3.435 10.223 ( -1.968 2.797 0.323) 3.435 10.792 ( -0.541 -0.585 -0.199) 0.821 10.792 ( -0.541 0.585 -0.199) 0.821 10.902 ( -0.149 -1.503 0.090) 1.513 10.902 ( -0.149 1.503 0.090) 1.513 10.943 ( -0.747 -0.677 -0.243) 1.036 10.943 ( -0.747 0.677 -0.243) 1.036 12.462 ( -0.872 -1.696 0.178) 1.915 12.462 ( -0.872 1.696 0.178) 1.915 13.106 ( -0.953 -0.816 -0.051) 1.256 13.106 ( -0.953 0.816 -0.051) 1.256 14.436 ( 0.282 -0.998 -0.177) 1.052 14.436 ( 0.282 0.998 -0.177) 1.052 15.157 ( 0.822 -1.865 -0.350) 2.068 15.157 ( 0.822 1.865 -0.350) 2.068 15.919 ( 3.637 -1.844 1.386) 4.307 15.919 ( 3.637 1.844 1.386) 4.307 16.417 ( 3.180 -2.835 -0.451) 4.284 16.417 ( 3.180 2.835 -0.451) 4.284 16.988 ( 1.437 -1.227 0.776) 2.043 16.988 ( 1.437 1.227 0.776) 2.043 17.344 ( -4.076 -4.730 -2.971) 6.914 17.344 ( -4.076 4.730 -2.971) 6.914 17.908 ( -7.349 -5.573 1.731) 9.384 17.908 ( -7.349 5.573 1.731) 9.384 18.110 ( -1.660 -2.987 0.206) 3.423 18.110 ( -1.660 2.987 0.206) 3.423 18.865 ( -2.758 -0.238 -0.101) 2.770 18.865 ( -2.758 0.238 -0.101) 2.770 19.747 ( -3.706 -2.746 -0.912) 4.702 19.747 ( -3.706 2.746 -0.912) 4.702 19.985 ( 5.366 -3.933 0.861) 6.709 19.985 ( 5.366 3.933 0.861) 6.709 21.607 ( -1.257 -0.162 0.018) 1.267 21.607 ( -1.257 0.162 0.018) 1.267 ======================= Grid point 147 (75/110) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 1.016 -2.543 -1.470) 3.108 0.799 ( 1.016 2.543 -1.470) 3.108 0.909 ( -2.976 -3.672 -3.025) 5.611 0.909 ( -2.976 3.672 -3.025) 5.611 1.109 ( -2.216 -4.055 4.968) 6.785 1.109 ( -2.216 4.055 4.968) 6.785 1.323 ( 0.583 -4.731 -1.551) 5.013 1.323 ( 0.583 4.731 -1.551) 5.013 1.487 ( 0.337 -3.458 -2.323) 4.180 1.487 ( 0.337 3.458 -2.323) 4.180 1.736 ( 4.223 -3.656 4.302) 7.050 1.736 ( 4.223 3.656 4.302) 7.050 1.793 ( 0.807 -1.363 -1.270) 2.031 1.793 ( 0.807 1.363 -1.270) 2.031 1.899 ( -0.943 -0.818 -3.241) 3.473 1.899 ( -0.943 0.818 -3.241) 3.473 2.002 ( 2.955 -2.589 3.461) 5.236 2.002 ( 2.955 2.589 3.461) 5.236 2.148 ( -1.752 -1.123 2.361) 3.148 2.148 ( -1.752 1.123 2.361) 3.148 2.219 ( -0.462 -2.738 -2.743) 3.903 2.219 ( -0.462 2.738 -2.743) 3.903 2.281 ( -1.498 -0.164 -0.483) 1.583 2.281 ( -1.498 0.164 -0.483) 1.583 3.502 ( -0.679 -0.492 -0.016) 0.839 3.502 ( -0.679 0.492 -0.016) 0.839 3.758 ( 0.376 -0.368 0.042) 0.528 3.758 ( 0.376 0.368 0.042) 0.528 4.790 ( -0.186 -0.273 0.006) 0.330 4.790 ( -0.186 0.273 0.006) 0.330 5.188 ( -0.352 -0.234 -0.013) 0.423 5.188 ( -0.352 0.234 -0.013) 0.423 6.709 ( -0.520 -0.713 -0.039) 0.884 6.709 ( -0.520 0.713 -0.039) 0.884 6.922 ( -0.019 -0.108 0.040) 0.117 6.922 ( -0.019 0.108 0.040) 0.117 7.111 ( -0.266 -0.336 -0.049) 0.431 7.111 ( -0.266 0.336 -0.049) 0.431 7.683 ( 0.076 -0.183 0.047) 0.204 7.683 ( 0.076 0.183 0.047) 0.204 8.106 ( -0.354 -0.066 0.029) 0.361 8.106 ( -0.354 0.066 0.029) 0.361 8.422 ( 0.519 -0.413 0.034) 0.664 8.422 ( 0.519 0.413 0.034) 0.664 8.967 ( 0.753 -0.627 -0.054) 0.982 8.967 ( 0.753 0.627 -0.054) 0.982 9.639 ( -0.128 -0.111 -0.081) 0.187 9.639 ( -0.128 0.111 -0.081) 0.187 10.193 ( -1.191 -2.412 0.278) 2.704 10.193 ( -1.191 2.412 0.278) 2.704 10.783 ( -0.286 -0.333 -0.193) 0.480 10.783 ( -0.286 0.333 -0.193) 0.480 10.901 ( 0.079 -1.385 0.098) 1.391 10.901 ( 0.079 1.385 0.098) 1.391 10.929 ( -0.662 -0.618 -0.200) 0.928 10.929 ( -0.662 0.618 -0.200) 0.928 12.451 ( -0.375 -1.143 0.165) 1.214 12.451 ( -0.375 1.143 0.165) 1.214 13.089 ( -0.653 -0.369 -0.038) 0.751 13.089 ( -0.653 0.369 -0.038) 0.751 14.440 ( 0.160 -0.853 -0.133) 0.878 14.440 ( 0.160 0.853 -0.133) 0.878 15.167 ( 0.344 -1.727 -0.464) 1.821 15.167 ( 0.344 1.727 -0.464) 1.821 15.985 ( 2.552 -1.935 1.564) 3.564 15.985 ( 2.552 1.935 1.564) 3.564 16.464 ( 1.773 -3.041 -0.966) 3.650 16.464 ( 1.773 3.041 -0.966) 3.650 17.025 ( 1.928 -1.242 0.780) 2.422 17.025 ( 1.928 1.242 0.780) 2.422 17.274 ( -2.347 -2.543 -1.870) 3.933 17.274 ( -2.347 2.543 -1.870) 3.933 17.761 ( -7.095 -4.253 1.267) 8.369 17.761 ( -7.095 4.253 1.267) 8.369 18.092 ( -0.499 -1.285 -0.133) 1.384 18.092 ( -0.499 1.285 -0.133) 1.384 18.823 ( -1.525 -0.238 -0.014) 1.543 18.823 ( -1.525 0.238 -0.014) 1.543 19.686 ( -2.237 -1.008 -0.216) 2.463 19.686 ( -2.237 1.008 -0.216) 2.463 20.084 ( 4.095 -1.960 0.160) 4.543 20.084 ( 4.095 1.960 0.160) 4.543 21.584 ( -0.958 -0.093 0.003) 0.963 21.584 ( -0.958 0.093 0.003) 0.963 ======================= Grid point 149 (76/110) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -1.605 -1.592 -1.433) 2.676 0.813 ( -1.605 1.592 -1.433) 2.676 0.885 ( 3.030 -4.134 -1.629) 5.378 0.885 ( 3.030 4.134 -1.628) 5.378 1.094 ( 0.057 -3.591 4.117) 5.464 1.094 ( 0.057 3.591 4.117) 5.464 1.326 ( -0.831 -3.948 -0.191) 4.039 1.326 ( -0.831 3.948 -0.191) 4.039 1.489 ( 1.080 -3.649 -2.608) 4.614 1.489 ( 1.080 3.649 -2.608) 4.614 1.713 ( -3.568 -1.368 -1.992) 4.310 1.713 ( -3.568 1.368 -1.992) 4.310 1.826 ( -0.145 -0.877 1.854) 2.056 1.826 ( -0.145 0.877 1.854) 2.056 1.943 ( 4.967 -3.635 1.498) 6.335 1.943 ( 4.967 3.635 1.498) 6.335 2.028 ( -1.238 -3.439 -0.120) 3.657 2.028 ( -1.238 3.439 -0.120) 3.657 2.110 ( -2.222 -0.973 2.638) 3.584 2.110 ( -2.222 0.973 2.638) 3.584 2.211 ( 1.144 -0.848 -1.791) 2.289 2.211 ( 1.144 0.848 -1.791) 2.289 2.272 ( -0.200 -0.960 -0.893) 1.327 2.272 ( -0.200 0.961 -0.893) 1.327 3.495 ( -0.005 -0.143 -0.025) 0.145 3.495 ( -0.005 0.143 -0.025) 0.145 3.762 ( 0.003 -0.243 0.035) 0.245 3.762 ( 0.003 0.243 0.035) 0.245 4.788 ( 0.001 -0.118 0.013) 0.119 4.788 ( 0.001 0.118 0.013) 0.119 5.185 ( -0.008 -0.067 -0.018) 0.070 5.185 ( -0.008 0.067 -0.018) 0.070 6.703 ( -0.013 -0.299 -0.042) 0.303 6.703 ( -0.013 0.299 -0.042) 0.303 6.922 ( 0.019 -0.017 0.057) 0.062 6.922 ( 0.019 0.017 0.057) 0.062 7.108 ( -0.001 -0.314 -0.050) 0.318 7.108 ( -0.001 0.314 -0.050) 0.318 7.684 ( 0.006 -0.063 0.037) 0.073 7.684 ( 0.006 0.063 0.037) 0.073 8.102 ( -0.000 -0.050 0.030) 0.058 8.102 ( -0.000 0.050 0.030) 0.058 8.427 ( 0.007 -0.118 0.037) 0.124 8.427 ( 0.007 0.118 0.037) 0.124 8.974 ( -0.012 -0.517 -0.059) 0.521 8.974 ( -0.012 0.517 -0.059) 0.521 9.638 ( -0.009 -0.161 -0.080) 0.180 9.638 ( -0.009 0.161 -0.080) 0.180 10.182 ( -0.021 -2.300 0.269) 2.315 10.182 ( -0.021 2.300 0.269) 2.315 10.780 ( -0.003 -0.098 -0.201) 0.224 10.780 ( -0.003 0.098 -0.201) 0.224 10.905 ( 0.296 -1.218 0.187) 1.268 10.905 ( 0.296 1.218 0.187) 1.268 10.919 ( -0.278 -0.603 -0.266) 0.715 10.919 ( -0.278 0.603 -0.266) 0.715 12.448 ( -0.018 -0.378 0.156) 0.409 12.448 ( -0.018 0.378 0.156) 0.409 13.083 ( 0.015 -0.074 -0.032) 0.082 13.083 ( 0.015 0.074 -0.032) 0.082 14.442 ( 0.032 -0.712 -0.111) 0.722 14.442 ( 0.032 0.712 -0.111) 0.722 15.168 ( -0.132 -1.586 -0.511) 1.671 15.168 ( -0.132 1.586 -0.511) 1.671 16.014 ( -0.034 -2.451 1.673) 2.967 16.014 ( -0.034 2.451 1.673) 2.967 16.478 ( -0.057 -3.056 -1.269) 3.309 16.478 ( -0.057 3.056 -1.269) 3.309 17.052 ( 0.227 -0.889 1.302) 1.592 17.052 ( 0.227 0.889 1.302) 1.592 17.249 ( 0.292 -1.700 -1.907) 2.572 17.249 ( 0.292 1.700 -1.907) 2.572 17.686 ( -0.210 -1.261 1.012) 1.630 17.686 ( -0.210 1.261 1.012) 1.630 18.085 ( -0.191 -0.782 -0.196) 0.828 18.085 ( -0.191 0.782 -0.196) 0.828 18.808 ( 0.045 -0.076 0.029) 0.093 18.808 ( 0.045 0.076 0.029) 0.093 19.664 ( -0.054 -0.200 -0.129) 0.244 19.664 ( -0.054 0.200 -0.129) 0.244 20.126 ( 0.068 -1.936 0.083) 1.939 20.126 ( 0.068 1.936 0.083) 1.939 21.574 ( 0.003 -0.006 -0.004) 0.008 21.574 ( 0.003 0.006 -0.004) 0.008 ======================= Grid point 151 (77/110) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.590 -2.940 -1.475) 3.341 0.776 ( -0.590 2.940 -1.475) 3.341 0.959 ( 3.798 -3.413 -2.529) 5.698 0.959 ( 3.798 3.413 -2.529) 5.698 1.139 ( 3.414 -3.433 3.918) 6.228 1.139 ( 3.414 3.433 3.918) 6.228 1.281 ( -3.280 -2.207 -0.378) 3.971 1.281 ( -3.280 2.207 -0.378) 3.971 1.505 ( 0.189 -5.220 -3.481) 6.277 1.505 ( 0.189 5.220 -3.481) 6.277 1.657 ( -1.456 -2.707 2.491) 3.956 1.657 ( -1.456 2.707 2.491) 3.956 1.813 ( -1.724 -0.597 0.298) 1.849 1.813 ( -1.724 0.597 0.298) 1.849 1.935 ( -4.356 -2.837 -0.545) 5.226 1.935 ( -4.356 2.837 -0.545) 5.227 2.037 ( 0.685 -0.769 0.248) 1.059 2.037 ( 0.685 0.769 0.248) 1.059 2.104 ( 1.488 -1.085 2.826) 3.373 2.104 ( 1.488 1.085 2.826) 3.373 2.242 ( 0.290 -1.877 -1.857) 2.656 2.242 ( 0.290 1.877 -1.857) 2.656 2.267 ( 1.840 -0.713 -0.504) 2.037 2.267 ( 1.840 0.713 -0.504) 2.037 3.502 ( 0.667 -0.515 -0.016) 0.843 3.502 ( 0.667 0.515 -0.016) 0.843 3.758 ( -0.353 -0.423 0.042) 0.553 3.758 ( -0.353 0.423 0.042) 0.553 4.790 ( 0.177 -0.029 0.006) 0.180 4.790 ( 0.177 0.029 0.006) 0.180 5.188 ( 0.345 -0.182 -0.013) 0.390 5.188 ( 0.345 0.182 -0.013) 0.390 6.708 ( 0.497 -0.567 -0.039) 0.755 6.708 ( 0.497 0.567 -0.039) 0.755 6.923 ( 0.041 -0.193 0.040) 0.201 6.923 ( 0.041 0.193 0.040) 0.201 7.110 ( 0.264 -0.314 -0.049) 0.413 7.110 ( 0.264 0.314 -0.049) 0.413 7.684 ( -0.067 -0.061 0.047) 0.103 7.684 ( -0.067 0.061 0.047) 0.103 8.106 ( 0.349 -0.083 0.029) 0.360 8.106 ( 0.349 0.083 0.029) 0.360 8.422 ( -0.506 -0.459 0.034) 0.684 8.422 ( -0.506 0.459 0.034) 0.684 8.966 ( -0.777 -0.601 -0.054) 0.984 8.966 ( -0.777 0.601 -0.054) 0.984 9.639 ( 0.119 -0.255 -0.081) 0.293 9.639 ( 0.119 0.255 -0.081) 0.293 10.193 ( 1.131 -2.527 0.278) 2.783 10.193 ( 1.131 2.527 0.278) 2.783 10.783 ( 0.310 -0.302 -0.192) 0.473 10.783 ( 0.310 0.302 -0.192) 0.473 10.911 ( 0.101 -1.161 0.397) 1.232 10.911 ( 0.101 1.161 0.397) 1.232 10.920 ( 0.520 -0.808 -0.501) 1.083 10.920 ( 0.520 0.808 -0.501) 1.083 12.451 ( 0.338 -0.785 0.165) 0.870 12.451 ( 0.338 0.785 0.165) 0.870 13.090 ( 0.678 -0.359 -0.038) 0.768 13.090 ( 0.678 0.359 -0.038) 0.768 14.440 ( -0.118 -0.632 -0.133) 0.657 14.440 ( -0.118 0.632 -0.133) 0.657 15.160 ( -0.567 -1.528 -0.454) 1.692 15.160 ( -0.567 1.528 -0.454) 1.692 15.991 ( -2.685 -2.941 1.577) 4.283 15.991 ( -2.685 2.941 1.577) 4.283 16.458 ( -1.715 -2.718 -0.988) 3.362 16.458 ( -1.715 2.718 -0.988) 3.362 17.030 ( -2.456 -0.216 0.793) 2.590 17.030 ( -2.456 0.216 0.793) 2.590 17.283 ( 3.632 -3.286 -1.927) 5.263 17.283 ( 3.632 3.286 -1.927) 5.263 17.761 ( 7.007 -4.607 1.337) 8.492 17.761 ( 7.007 4.607 1.337) 8.492 18.082 ( -0.126 -0.538 -0.160) 0.575 18.082 ( -0.126 0.538 -0.160) 0.575 18.825 ( 1.680 -0.183 -0.013) 1.690 18.825 ( 1.680 0.183 -0.013) 1.690 19.683 ( 2.003 -0.628 -0.213) 2.110 19.683 ( 2.003 0.628 -0.213) 2.110 20.088 ( -3.846 -3.290 0.157) 5.064 20.088 ( -3.846 3.290 0.157) 5.064 21.584 ( 0.958 -0.090 0.003) 0.962 21.584 ( 0.958 0.090 0.003) 0.962 ======================= Grid point 153 (78/110) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.622 -7.138 -1.663) 8.175 0.801 ( 3.622 7.138 -1.663) 8.175 1.008 ( 2.057 -3.436 -3.375) 5.237 1.008 ( 2.057 3.436 -3.375) 5.237 1.184 ( -1.123 -5.049 -0.604) 5.208 1.184 ( -1.123 5.049 -0.604) 5.208 1.264 ( 2.812 -4.029 4.861) 6.912 1.264 ( 2.812 4.029 4.861) 6.912 1.461 ( -3.297 -6.529 -4.631) 8.657 1.461 ( -3.297 6.529 -4.631) 8.657 1.660 ( -0.181 -2.308 4.575) 5.127 1.660 ( -0.181 2.308 4.575) 5.127 1.736 ( -5.626 -4.064 -1.761) 7.160 1.736 ( -5.626 4.064 -1.761) 7.160 1.877 ( -2.252 -3.106 1.216) 4.024 1.877 ( -2.252 3.106 1.216) 4.025 2.021 ( -1.466 -3.060 1.480) 3.701 2.021 ( -1.466 3.060 1.480) 3.701 2.151 ( 2.082 -1.959 1.074) 3.054 2.151 ( 2.082 1.959 1.074) 3.054 2.223 ( -0.170 -3.246 -2.188) 3.919 2.223 ( -0.170 3.246 -2.188) 3.919 2.333 ( 3.996 -1.429 -0.588) 4.284 2.333 ( 3.996 1.429 -0.588) 4.284 3.518 ( 0.932 -0.877 0.008) 1.280 3.518 ( 0.932 0.877 0.008) 1.280 3.750 ( -0.522 -0.682 0.048) 0.860 3.750 ( -0.522 0.682 0.048) 0.860 4.795 ( 0.414 -0.114 -0.003) 0.430 4.795 ( 0.414 0.114 -0.003) 0.430 5.197 ( 0.565 -0.333 -0.008) 0.656 5.197 ( 0.565 0.333 -0.008) 0.656 6.721 ( 0.772 -0.896 -0.032) 1.183 6.721 ( 0.772 0.896 -0.032) 1.183 6.924 ( 0.115 -0.383 0.002) 0.400 6.924 ( 0.115 0.383 0.002) 0.400 7.117 ( 0.457 -0.316 -0.048) 0.558 7.117 ( 0.457 0.316 -0.048) 0.558 7.683 ( -0.041 -0.162 0.087) 0.189 7.683 ( -0.041 0.162 0.087) 0.189 8.115 ( 0.552 -0.092 0.030) 0.561 8.115 ( 0.552 0.092 0.030) 0.561 8.409 ( -0.840 -0.703 0.033) 1.096 8.409 ( -0.840 0.703 0.033) 1.096 8.944 ( -1.528 -0.671 -0.049) 1.669 8.944 ( -1.528 0.671 -0.049) 1.669 9.642 ( 0.301 -0.333 -0.093) 0.459 9.642 ( 0.301 0.333 -0.093) 0.459 10.224 ( 1.863 -3.109 0.323) 3.638 10.224 ( 1.863 3.109 0.323) 3.638 10.791 ( 0.639 -0.515 -0.196) 0.844 10.791 ( 0.639 0.515 -0.196) 0.844 10.914 ( 0.195 -1.062 0.294) 1.119 10.914 ( 0.195 1.062 0.294) 1.119 10.932 ( 0.746 -0.653 -0.450) 1.089 10.932 ( 0.746 0.653 -0.450) 1.089 12.462 ( 0.822 -1.364 0.178) 1.602 12.462 ( 0.822 1.364 0.178) 1.602 13.106 ( 0.968 -0.837 -0.051) 1.281 13.106 ( 0.968 0.837 -0.051) 1.281 14.436 ( -0.301 -0.705 -0.178) 0.787 14.436 ( -0.301 0.705 -0.178) 0.787 15.145 ( -0.873 -1.407 -0.333) 1.690 15.145 ( -0.873 1.407 -0.333) 1.690 15.927 ( -4.029 -3.306 1.388) 5.393 15.927 ( -4.029 3.306 1.388) 5.393 16.411 ( -2.854 -2.137 -0.478) 3.597 16.411 ( -2.854 2.137 -0.478) 3.597 16.983 ( -2.159 -0.505 0.702) 2.325 16.983 ( -2.159 0.505 0.702) 2.325 17.366 ( 5.178 -5.106 -2.968) 7.854 17.366 ( 5.178 5.106 -2.968) 7.854 17.924 ( 8.499 -7.608 2.028) 11.585 17.924 ( 8.499 7.608 2.028) 11.585 18.079 ( -0.095 -0.344 -0.018) 0.357 18.079 ( -0.095 0.344 -0.018) 0.357 18.872 ( 3.090 -0.321 -0.094) 3.108 18.872 ( 3.090 0.321 -0.094) 3.108 19.733 ( 2.911 -1.177 -0.819) 3.245 19.733 ( 2.911 1.177 -0.819) 3.245 19.999 ( -4.595 -5.026 0.767) 6.853 19.999 ( -4.595 5.026 0.767) 6.853 21.607 ( 1.238 -0.125 0.018) 1.245 21.607 ( 1.238 0.125 0.018) 1.245 ======================= Grid point 155 (79/110) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 5.277 -10.073 0.147) 11.372 0.894 ( 5.277 10.073 0.147) 11.372 1.030 ( 2.093 -8.002 -5.869) 10.142 1.030 ( 2.093 8.002 -5.869) 10.142 1.167 ( -0.138 -6.683 1.983) 6.972 1.167 ( -0.138 6.683 1.983) 6.972 1.315 ( -0.712 -5.715 5.112) 7.701 1.315 ( -0.712 5.715 5.112) 7.701 1.383 ( -2.522 -6.021 -6.818) 9.439 1.383 ( -2.522 6.021 -6.818) 9.439 1.608 ( -5.221 -7.036 -2.207) 9.035 1.608 ( -5.221 7.036 -2.207) 9.035 1.674 ( -0.528 -1.947 3.780) 4.284 1.674 ( -0.528 1.947 3.780) 4.284 1.825 ( -3.496 -2.907 3.038) 5.468 1.825 ( -3.496 2.907 3.038) 5.468 1.995 ( -1.563 -5.013 0.472) 5.273 1.995 ( -1.563 5.013 0.472) 5.273 2.167 ( -0.736 -1.475 1.731) 2.391 2.167 ( -0.736 1.475 1.731) 2.391 2.256 ( 3.622 -3.219 -1.105) 4.970 2.256 ( 3.622 3.219 -1.105) 4.970 2.408 ( 4.098 -3.575 -1.873) 5.752 2.408 ( 4.098 3.575 -1.873) 5.752 3.534 ( 0.696 -0.962 0.044) 1.188 3.534 ( 0.696 0.962 0.044) 1.188 3.740 ( -0.460 -0.807 0.022) 0.929 3.740 ( -0.460 0.807 0.022) 0.929 4.805 ( 0.590 -0.190 -0.003) 0.620 4.805 ( 0.590 0.190 -0.003) 0.620 5.208 ( 0.557 -0.403 -0.011) 0.688 5.208 ( 0.557 0.403 -0.011) 0.688 6.735 ( 0.716 -0.882 -0.024) 1.136 6.735 ( 0.716 0.882 -0.024) 1.136 6.927 ( 0.233 -0.519 -0.018) 0.569 6.927 ( 0.233 0.519 -0.018) 0.569 7.127 ( 0.500 -0.302 -0.049) 0.586 7.127 ( 0.500 0.302 -0.049) 0.586 7.683 ( 0.081 -0.232 0.165) 0.296 7.683 ( 0.081 0.232 0.165) 0.296 8.126 ( 0.528 -0.060 0.038) 0.532 8.126 ( 0.528 0.060 0.038) 0.532 8.392 ( -0.868 -0.690 0.048) 1.110 8.392 ( -0.868 0.690 0.048) 1.110 8.910 ( -1.962 -0.556 -0.059) 2.040 8.910 ( -1.962 0.556 -0.059) 2.040 9.649 ( 0.446 -0.346 -0.126) 0.579 9.649 ( 0.446 0.346 -0.126) 0.579 10.262 ( 1.918 -3.889 0.427) 4.357 10.262 ( 1.918 3.889 0.427) 4.357 10.805 ( 0.794 -0.620 -0.291) 1.048 10.805 ( 0.794 0.620 -0.291) 1.048 10.920 ( 0.378 -1.125 0.196) 1.203 10.920 ( 0.378 1.125 0.196) 1.203 10.943 ( 0.495 -0.459 -0.393) 0.781 10.943 ( 0.495 0.459 -0.393) 0.781 12.484 ( 1.349 -1.470 0.181) 2.003 12.484 ( 1.349 1.470 0.181) 2.003 13.123 ( 0.715 -1.278 -0.063) 1.465 13.123 ( 0.715 1.278 -0.063) 1.465 14.428 ( -0.431 -0.943 -0.166) 1.049 14.428 ( -0.431 0.943 -0.166) 1.049 15.127 ( -0.822 -1.252 -0.284) 1.524 15.127 ( -0.822 1.252 -0.284) 1.524 15.854 ( -3.690 -3.180 1.438) 5.079 15.854 ( -3.690 3.180 1.438) 5.079 16.351 ( -3.218 -1.643 -0.233) 3.621 16.351 ( -3.218 1.643 -0.233) 3.621 16.959 ( -0.610 -1.250 1.339) 1.931 16.959 ( -0.610 1.250 1.339) 1.931 17.453 ( 4.565 -6.422 -4.618) 9.133 17.453 ( 4.565 6.422 -4.618) 9.133 18.055 ( 3.132 -4.879 1.838) 6.082 18.055 ( 3.132 4.879 1.838) 6.082 18.084 ( 1.516 -4.309 0.749) 4.629 18.084 ( 1.516 4.309 0.749) 4.629 18.936 ( 3.387 -0.450 -0.009) 3.417 18.936 ( 3.387 0.450 -0.009) 3.417 19.759 ( -0.363 -2.895 -3.003) 4.187 19.759 ( -0.363 2.895 -3.003) 4.187 19.966 ( 1.623 -6.214 3.023) 7.099 19.966 ( 1.623 6.214 3.023) 7.099 21.627 ( 0.773 -0.215 0.016) 0.803 21.627 ( 0.773 0.215 0.016) 0.803 ======================= Grid point 157 (80/110) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.005 -9.528 1.139) 9.596 0.947 ( 0.005 9.528 1.139) 9.596 1.100 ( 5.801 -10.102 -6.825) 13.501 1.100 ( 5.801 10.102 -6.825) 13.501 1.181 ( 0.908 -5.609 3.306) 6.574 1.181 ( 0.908 5.609 3.306) 6.574 1.263 ( -3.660 -6.751 0.753) 7.716 1.263 ( -3.660 6.751 0.753) 7.716 1.343 ( -0.465 -4.200 -4.488) 6.165 1.343 ( -0.465 4.200 -4.488) 6.165 1.514 ( -4.034 -5.461 -0.239) 6.793 1.514 ( -4.034 5.461 -0.239) 6.793 1.683 ( 0.239 -0.706 1.358) 1.549 1.683 ( 0.239 0.706 1.358) 1.549 1.779 ( -1.676 -1.777 3.720) 4.450 1.779 ( -1.676 1.777 3.720) 4.451 1.959 ( -2.240 -4.709 0.129) 5.216 1.959 ( -2.240 4.709 0.129) 5.216 2.148 ( -1.366 -0.752 1.796) 2.378 2.148 ( -1.366 0.752 1.796) 2.378 2.320 ( 2.493 -3.769 1.520) 4.768 2.320 ( 2.493 3.769 1.520) 4.768 2.478 ( 3.550 -5.490 -3.618) 7.473 2.478 ( 3.550 5.490 -3.618) 7.473 3.544 ( 0.272 -0.628 0.071) 0.688 3.544 ( 0.272 0.628 0.071) 0.688 3.733 ( -0.265 -0.649 -0.030) 0.702 3.733 ( -0.265 0.649 -0.030) 0.702 4.816 ( 0.459 -0.186 -0.003) 0.495 4.816 ( 0.459 0.186 -0.003) 0.495 5.217 ( 0.337 -0.382 -0.018) 0.510 5.217 ( 0.337 0.382 -0.018) 0.510 6.746 ( 0.415 -0.526 -0.029) 0.671 6.746 ( 0.415 0.526 -0.029) 0.671 6.932 ( 0.243 -0.553 0.016) 0.604 6.932 ( 0.243 0.553 0.016) 0.604 7.135 ( 0.338 -0.228 -0.054) 0.411 7.135 ( 0.338 0.228 -0.054) 0.411 7.686 ( 0.117 -0.160 0.258) 0.325 7.686 ( 0.117 0.160 0.258) 0.325 8.134 ( 0.305 -0.032 0.052) 0.311 8.134 ( 0.305 0.032 0.052) 0.311 8.378 ( -0.558 -0.461 0.078) 0.728 8.378 ( -0.558 0.461 0.078) 0.728 8.874 ( -1.477 -0.327 -0.085) 1.515 8.874 ( -1.477 0.327 -0.085) 1.515 9.657 ( 0.369 -0.281 -0.167) 0.493 9.657 ( 0.369 0.281 -0.167) 0.493 10.294 ( 1.218 -4.504 0.569) 4.700 10.294 ( 1.218 4.504 0.569) 4.700 10.818 ( 0.537 -0.657 -0.496) 0.983 10.818 ( 0.537 0.657 -0.496) 0.983 10.928 ( 0.415 -0.946 -0.069) 1.036 10.928 ( 0.415 0.946 -0.069) 1.036 10.948 ( 0.106 -0.363 -0.125) 0.398 10.948 ( 0.106 0.363 -0.125) 0.398 12.511 ( 1.264 -0.969 0.185) 1.603 12.511 ( 1.264 0.969 0.185) 1.603 13.132 ( 0.227 -1.297 -0.059) 1.318 13.132 ( 0.227 1.297 -0.059) 1.318 14.421 ( -0.298 -1.212 -0.045) 1.249 14.421 ( -0.298 1.212 -0.045) 1.249 15.114 ( -0.362 -1.037 -0.397) 1.168 15.114 ( -0.362 1.037 -0.397) 1.168 15.801 ( -2.117 -2.180 1.846) 3.555 15.801 ( -2.117 2.180 1.846) 3.555 16.294 ( -2.335 -1.346 -0.348) 2.718 16.294 ( -2.335 1.346 -0.348) 2.718 16.961 ( 0.234 -1.924 2.181) 2.918 16.961 ( 0.234 1.924 2.181) 2.918 17.512 ( 2.697 -7.303 -6.082) 9.879 17.512 ( 2.697 7.303 -6.082) 9.879 18.065 ( -0.600 -1.344 1.295) 1.960 18.065 ( -0.600 1.344 1.295) 1.960 18.126 ( 1.135 -5.489 1.246) 5.742 18.126 ( 1.135 5.489 1.246) 5.742 18.989 ( 1.854 -0.614 0.374) 1.989 18.989 ( 1.854 0.614 0.374) 1.989 19.733 ( -0.593 -3.318 -4.211) 5.394 19.733 ( -0.593 3.318 -4.211) 5.394 20.042 ( 3.763 -5.677 4.334) 8.073 20.042 ( 3.763 5.677 4.334) 8.073 21.635 ( 0.161 -0.164 -0.018) 0.231 21.635 ( 0.161 0.164 -0.018) 0.231 ======================= Grid point 189 (81/110) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( -6.417 0.000 -7.464) 9.843 0.318 ( 6.417 0.000 7.464) 9.843 0.547 ( 5.055 0.000 -14.320) 15.186 0.547 ( -5.055 0.000 14.320) 15.186 1.036 ( -9.017 0.000 -20.448) 22.348 1.036 ( 9.017 0.000 20.448) 22.348 1.159 ( 3.744 0.000 -4.885) 6.155 1.159 ( -3.744 0.000 4.885) 6.155 1.384 ( 2.077 0.000 -3.371) 3.959 1.384 ( -2.077 0.000 3.371) 3.959 1.590 ( 1.340 0.000 -1.300) 1.867 1.590 ( -1.340 0.000 1.300) 1.867 1.681 ( -4.255 0.000 -1.516) 4.517 1.681 ( 4.255 0.000 1.516) 4.517 1.829 ( 0.331 0.000 -1.053) 1.104 1.829 ( -0.331 0.000 1.053) 1.104 2.077 ( 0.416 0.000 -1.137) 1.211 2.077 ( -0.416 0.000 1.137) 1.211 2.163 ( 0.106 0.000 -0.644) 0.653 2.163 ( -0.106 0.000 0.644) 0.653 2.214 ( -2.413 0.000 -1.222) 2.705 2.214 ( 2.413 0.000 1.222) 2.705 2.769 ( 1.193 0.000 -9.496) 9.570 2.769 ( -1.193 0.000 9.496) 9.570 3.471 ( 0.465 0.000 -0.391) 0.608 3.471 ( -0.465 0.000 0.391) 0.608 3.681 ( 0.383 0.000 -0.658) 0.761 3.681 ( -0.383 0.000 0.658) 0.761 4.776 ( 0.261 0.000 -0.433) 0.506 4.776 ( -0.261 0.000 0.433) 0.506 5.239 ( 0.249 0.000 -1.019) 1.049 5.239 ( -0.249 0.000 1.019) 1.049 6.703 ( -0.468 0.000 -1.052) 1.151 6.703 ( 0.468 0.000 1.052) 1.151 6.932 ( -0.302 0.000 -0.145) 0.335 6.932 ( 0.302 0.000 0.145) 0.335 7.173 ( -0.371 0.000 -0.571) 0.682 7.173 ( 0.371 0.000 0.571) 0.682 7.694 ( 0.467 0.000 -0.798) 0.925 7.694 ( -0.467 0.000 0.798) 0.925 8.133 ( 0.059 0.000 -0.236) 0.243 8.133 ( -0.059 0.000 0.236) 0.243 8.411 ( -0.027 0.000 -0.444) 0.445 8.411 ( 0.027 0.000 0.444) 0.445 8.784 ( 0.881 0.000 -0.366) 0.954 8.784 ( -0.881 0.000 0.366) 0.954 9.623 ( -0.179 0.000 -0.243) 0.301 9.623 ( 0.179 0.000 0.243) 0.301 10.617 ( -6.824 0.000 -0.914) 6.885 10.617 ( 6.824 0.000 0.914) 6.885 10.866 ( -0.400 0.000 0.056) 0.403 10.866 ( 0.400 0.000 -0.056) 0.403 10.879 ( -0.305 0.000 -0.277) 0.412 10.879 ( 0.305 0.000 0.277) 0.412 10.999 ( -2.596 0.000 -0.020) 2.596 10.999 ( 2.596 0.000 0.020) 2.596 12.490 ( -0.806 0.000 -0.279) 0.853 12.490 ( 0.806 0.000 0.279) 0.853 13.061 ( -2.692 0.000 0.145) 2.696 13.061 ( 2.692 0.000 -0.145) 2.696 14.333 ( -0.490 0.000 -3.452) 3.487 14.333 ( 0.490 0.000 3.452) 3.487 14.988 ( -0.057 0.000 -4.390) 4.390 14.988 ( 0.057 0.000 4.390) 4.390 15.619 ( 0.592 0.000 -4.141) 4.183 15.619 ( -0.592 0.000 4.141) 4.183 16.291 ( 0.648 0.000 -3.550) 3.608 16.291 ( -0.648 0.000 3.550) 3.608 17.208 ( 1.578 0.000 -2.436) 2.903 17.208 ( -1.578 0.000 2.436) 2.903 17.340 ( 4.007 0.000 -1.741) 4.369 17.340 ( -4.007 0.000 1.741) 4.369 18.065 ( 0.129 0.000 -0.820) 0.830 18.065 ( -0.129 0.000 0.820) 0.830 18.430 ( -11.232 0.000 1.218) 11.298 18.430 ( 11.232 0.000 -1.218) 11.298 18.927 ( 1.124 0.000 -1.000) 1.505 18.927 ( -1.124 0.000 1.000) 1.505 19.348 ( -0.014 0.000 -0.973) 0.973 19.348 ( 0.014 0.000 0.973) 0.973 20.645 ( -11.899 0.000 -1.313) 11.971 20.645 ( 11.899 0.000 1.313) 11.971 21.613 ( 0.309 0.000 -0.189) 0.363 21.613 ( -0.309 0.000 0.189) 0.363 ======================= Grid point 191 (82/110) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 8.456 0.000 -9.719) 12.882 0.499 ( 9.076 0.000 4.748) 10.242 0.550 ( 2.069 0.000 11.888) 12.067 0.680 ( 11.529 0.000 -10.895) 15.863 0.874 ( -1.787 0.000 -16.908) 17.002 1.141 ( 1.254 0.000 2.128) 2.470 1.236 ( 4.856 0.000 -5.033) 6.993 1.272 ( 9.580 0.000 16.451) 19.037 1.342 ( -2.531 0.000 5.448) 6.007 1.398 ( 0.443 0.000 -2.441) 2.481 1.593 ( 2.131 0.000 1.292) 2.492 1.622 ( 2.491 0.000 -0.006) 2.491 1.659 ( 1.300 0.000 -2.828) 3.112 1.754 ( 0.961 0.000 4.709) 4.806 1.912 ( 6.826 0.000 -2.124) 7.148 1.913 ( 6.380 0.000 5.738) 8.581 2.047 ( -1.973 0.000 -0.113) 1.976 2.062 ( -0.350 0.000 -3.625) 3.641 2.133 ( -3.357 0.000 -2.668) 4.288 2.154 ( -1.001 0.000 -0.743) 1.246 2.184 ( -0.289 0.000 1.463) 1.491 2.258 ( 1.663 0.000 2.192) 2.752 2.682 ( -8.475 0.000 4.209) 9.463 2.687 ( -6.314 0.000 -10.329) 12.106 3.465 ( -0.331 0.000 0.396) 0.516 3.480 ( 0.376 0.000 -0.260) 0.457 3.674 ( -0.312 0.000 0.403) 0.510 3.683 ( -0.004 0.000 -0.703) 0.703 4.773 ( -0.256 0.000 0.456) 0.523 4.783 ( 0.470 0.000 -0.370) 0.598 5.234 ( -0.495 0.000 0.959) 1.079 5.240 ( 0.040 0.000 -0.892) 0.893 6.689 ( -0.632 0.000 -0.911) 1.109 6.711 ( 0.192 0.000 0.861) 0.883 6.925 ( -0.346 0.000 -0.120) 0.366 6.938 ( 0.307 0.000 0.179) 0.356 7.158 ( -0.873 0.000 -0.386) 0.954 7.169 ( -0.852 0.000 0.394) 0.939 7.678 ( -0.934 0.000 0.633) 1.129 7.685 ( -0.945 0.000 -0.891) 1.299 8.129 ( -0.449 0.000 0.224) 0.502 8.130 ( -0.343 0.000 -0.200) 0.397 8.417 ( 0.668 0.000 -0.474) 0.819 8.420 ( 0.686 0.000 0.442) 0.816 8.815 ( 3.128 0.000 2.276) 3.868 8.834 ( 3.617 0.000 -1.697) 3.995 9.615 ( -0.477 0.000 -0.191) 0.514 9.623 ( -0.185 0.000 0.348) 0.394 10.460 ( -8.742 0.000 5.470) 10.313 10.675 ( -2.461 0.000 1.322) 2.793 10.846 ( -4.103 0.000 -2.027) 4.577 10.855 ( -0.385 0.000 -0.422) 0.571 10.863 ( -0.490 0.000 -0.012) 0.490 10.871 ( -0.531 0.000 -0.006) 0.531 10.949 ( 0.054 0.000 -2.035) 2.035 11.011 ( -0.748 0.000 0.370) 0.835 12.454 ( -2.519 0.000 -0.313) 2.539 12.490 ( -0.643 0.000 0.149) 0.660 13.015 ( -1.100 0.000 -1.339) 1.733 13.084 ( -0.197 0.000 -0.906) 0.927 14.324 ( 0.495 0.000 -3.011) 3.052 14.352 ( 0.642 0.000 2.923) 2.992 14.983 ( 0.508 0.000 -4.344) 4.373 15.002 ( 0.136 0.000 4.265) 4.267 15.664 ( 3.820 0.000 4.589) 5.971 15.675 ( 5.951 0.000 -4.644) 7.549 16.326 ( 3.387 0.000 -4.414) 5.564 16.328 ( 3.055 0.000 5.305) 6.122 17.164 ( -4.674 0.000 -2.492) 5.297 17.166 ( -2.606 0.000 1.198) 2.868 17.330 ( 2.174 0.000 0.812) 2.321 17.409 ( 2.676 0.000 -1.542) 3.088 18.045 ( -3.759 0.000 -2.102) 4.307 18.057 ( -0.878 0.000 0.759) 1.160 18.157 ( -10.532 0.000 -8.619) 13.609 18.442 ( -8.715 0.000 1.986) 8.938 18.880 ( -2.557 0.000 0.351) 2.581 18.912 ( -1.648 0.000 -0.680) 1.783 19.469 ( 7.883 0.000 3.452) 8.606 19.545 ( 18.121 0.000 -7.390) 19.570 20.323 ( -18.894 0.000 6.425) 19.957 20.706 ( -5.287 0.000 6.427) 8.323 21.604 ( -0.630 0.000 0.139) 0.645 21.612 ( -0.350 0.000 -0.181) 0.394 ======================= Grid point 192 (83/110) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 10.307 0.000 -7.578) 12.793 0.670 ( 7.542 0.000 7.665) 10.754 0.688 ( 9.982 0.000 4.453) 10.930 0.897 ( 12.200 0.000 -6.703) 13.920 0.928 ( 9.839 0.000 -7.400) 12.311 1.209 ( 5.035 0.000 0.072) 5.035 1.284 ( -2.531 0.000 2.530) 3.579 1.312 ( 3.876 0.000 -4.136) 5.668 1.407 ( 1.058 0.000 -0.264) 1.090 1.477 ( 5.902 0.000 9.328) 11.039 1.657 ( 1.116 0.000 -1.622) 1.969 1.695 ( 7.338 0.000 6.355) 9.707 1.701 ( 3.366 0.000 -1.555) 3.708 1.745 ( -2.400 0.000 1.231) 2.698 1.941 ( -3.988 0.000 2.672) 4.801 1.958 ( -1.836 0.000 -0.128) 1.840 2.058 ( -2.054 0.000 0.185) 2.062 2.102 ( 3.685 0.000 -6.299) 7.298 2.102 ( 2.341 0.000 4.910) 5.439 2.124 ( 0.832 0.000 1.168) 1.434 2.186 ( 0.253 0.000 0.329) 0.416 2.288 ( 1.065 0.000 0.777) 1.318 2.516 ( -8.349 0.000 1.361) 8.459 2.518 ( -8.113 0.000 -9.821) 12.738 3.459 ( -0.403 0.000 0.094) 0.414 3.481 ( -0.283 0.000 -0.089) 0.297 3.673 ( 0.014 0.000 0.414) 0.414 3.681 ( 0.002 0.000 -0.469) 0.469 4.767 ( -0.401 0.000 0.223) 0.459 4.789 ( 0.155 0.000 -0.240) 0.286 5.225 ( -0.649 0.000 0.831) 1.054 5.236 ( -0.278 0.000 -0.705) 0.758 6.680 ( -0.097 0.000 -0.375) 0.388 6.717 ( 0.214 0.000 0.344) 0.405 6.920 ( -0.167 0.000 -0.083) 0.186 6.945 ( 0.282 0.000 0.251) 0.378 7.141 ( -0.825 0.000 -0.382) 0.909 7.148 ( -1.251 0.000 0.300) 1.286 7.667 ( -0.543 0.000 -0.534) 0.761 7.668 ( -0.219 0.000 0.064) 0.228 8.118 ( -0.714 0.000 0.154) 0.730 8.120 ( -0.645 0.000 -0.158) 0.664 8.433 ( 1.062 0.000 -0.543) 1.193 8.438 ( 1.035 0.000 0.448) 1.128 8.881 ( 2.429 0.000 3.580) 4.326 8.890 ( 2.538 0.000 -2.462) 3.536 9.605 ( -0.538 0.000 -0.160) 0.561 9.618 ( -0.413 0.000 0.508) 0.655 10.331 ( -6.292 0.000 8.307) 10.421 10.535 ( -8.300 0.000 -8.422) 11.824 10.808 ( -0.269 0.000 0.272) 0.383 10.850 ( -0.034 0.000 -0.797) 0.798 10.852 ( -0.616 0.000 0.200) 0.647 10.857 ( -0.879 0.000 -0.131) 0.889 10.958 ( 0.598 0.000 -1.342) 1.469 10.991 ( -1.257 0.000 1.233) 1.760 12.410 ( -1.843 0.000 0.482) 1.905 12.472 ( -1.163 0.000 -0.361) 1.218 13.010 ( 0.317 0.000 -0.579) 0.660 13.064 ( -1.314 0.000 -0.351) 1.360 14.337 ( 1.429 0.000 -2.398) 2.791 14.373 ( 0.917 0.000 2.154) 2.341 14.982 ( 0.407 0.000 -4.274) 4.293 15.009 ( -0.392 0.000 4.238) 4.256 15.774 ( 6.123 0.000 5.959) 8.544 15.801 ( 7.999 0.000 -6.426) 10.261 16.385 ( 3.736 0.000 -4.697) 6.001 16.411 ( 3.667 0.000 6.425) 7.398 17.076 ( -3.540 0.000 -1.464) 3.831 17.119 ( -2.352 0.000 0.065) 2.353 17.376 ( 2.011 0.000 0.398) 2.050 17.431 ( -0.028 0.000 -0.380) 0.381 17.853 ( -10.339 0.000 -9.282) 13.894 18.023 ( -3.778 0.000 1.009) 3.911 18.087 ( -0.144 0.000 -2.629) 2.633 18.234 ( -11.322 0.000 7.125) 13.377 18.838 ( -1.921 0.000 -0.377) 1.958 18.873 ( -2.230 0.000 -0.113) 2.233 19.592 ( 3.829 0.000 1.924) 4.285 19.868 ( 13.762 0.000 -4.942) 14.623 20.030 ( -10.025 0.000 -1.034) 10.078 20.583 ( -6.961 0.000 7.549) 10.269 21.591 ( -0.756 0.000 0.016) 0.756 21.601 ( -0.685 0.000 -0.013) 0.685 ======================= Grid point 193 (84/110) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 11.690 0.000 -1.164) 11.748 0.854 ( 9.564 0.000 4.633) 10.627 0.904 ( 10.888 0.000 4.779) 11.890 1.097 ( 9.675 0.000 -4.798) 10.800 1.147 ( 12.170 0.000 -1.444) 12.256 1.253 ( -0.155 0.000 2.496) 2.501 1.313 ( 4.411 0.000 -1.311) 4.602 1.354 ( 1.288 0.000 -1.757) 2.179 1.434 ( 1.263 0.000 0.093) 1.266 1.533 ( -2.027 0.000 2.248) 3.027 1.676 ( 2.036 0.000 -2.924) 3.563 1.696 ( -0.397 0.000 -3.466) 3.488 1.772 ( 4.160 0.000 0.614) 4.205 1.832 ( -0.885 0.000 3.399) 3.512 1.857 ( -5.238 0.000 2.900) 5.987 1.921 ( 3.364 0.000 3.478) 4.839 2.046 ( -3.935 0.000 -1.758) 4.310 2.050 ( -0.258 0.000 1.383) 1.407 2.144 ( 2.465 0.000 -1.940) 3.137 2.187 ( -0.277 0.000 3.721) 3.731 2.192 ( 0.044 0.000 -1.491) 1.492 2.301 ( 0.423 0.000 -0.658) 0.782 2.347 ( -6.983 0.000 -8.380) 10.909 2.402 ( -3.704 0.000 3.531) 5.118 3.450 ( -0.424 0.000 -0.155) 0.452 3.469 ( -0.818 0.000 0.086) 0.823 3.676 ( 0.173 0.000 0.304) 0.349 3.681 ( 0.114 0.000 -0.236) 0.262 4.762 ( -0.133 0.000 0.068) 0.149 4.787 ( -0.236 0.000 -0.094) 0.254 5.215 ( -0.561 0.000 0.671) 0.875 5.226 ( -0.500 0.000 -0.574) 0.761 6.684 ( 0.449 0.000 0.236) 0.508 6.720 ( 0.106 0.000 -0.207) 0.232 6.919 ( 0.145 0.000 -0.037) 0.149 6.948 ( 0.016 0.000 0.144) 0.145 7.125 ( -0.712 0.000 -0.471) 0.853 7.127 ( -1.057 0.000 0.489) 1.165 7.662 ( 0.032 0.000 -0.138) 0.142 7.668 ( 0.134 0.000 -0.234) 0.269 8.104 ( -0.705 0.000 0.077) 0.709 8.106 ( -0.696 0.000 -0.111) 0.705 8.453 ( 1.137 0.000 -0.515) 1.248 8.459 ( 0.989 0.000 0.439) 1.082 8.920 ( 0.877 0.000 3.036) 3.160 8.920 ( 1.251 0.000 -2.232) 2.559 9.596 ( -0.328 0.000 -0.179) 0.374 9.611 ( -0.494 0.000 0.587) 0.767 10.253 ( -4.018 0.000 8.501) 9.403 10.376 ( -5.614 0.000 -10.176) 11.622 10.807 ( -0.154 0.000 1.030) 1.041 10.839 ( -0.892 0.000 -0.494) 1.020 10.843 ( -0.298 0.000 0.382) 0.484 10.848 ( 0.009 0.000 -0.829) 0.829 10.960 ( 0.011 0.000 -1.338) 1.338 10.972 ( -1.063 0.000 1.473) 1.817 12.386 ( -0.853 0.000 1.171) 1.448 12.445 ( -1.401 0.000 -0.844) 1.636 13.014 ( 0.203 0.000 -0.129) 0.240 13.041 ( -1.024 0.000 -0.118) 1.031 14.364 ( 1.709 0.000 -1.821) 2.497 14.395 ( 0.825 0.000 1.651) 1.846 14.980 ( 0.422 0.000 -4.158) 4.179 15.007 ( -0.857 0.000 4.139) 4.227 15.913 ( 6.283 0.000 7.303) 9.634 15.936 ( 7.453 0.000 -7.837) 10.815 16.445 ( 3.495 0.000 -3.986) 5.301 16.488 ( 2.846 0.000 4.837) 5.612 17.027 ( -1.268 0.000 -0.246) 1.292 17.078 ( -1.791 0.000 -0.605) 1.891 17.402 ( 0.655 0.000 -1.642) 1.768 17.412 ( -1.978 0.000 1.509) 2.488 17.653 ( -8.444 0.000 -4.268) 9.461 17.878 ( -10.721 0.000 2.211) 10.946 18.083 ( 0.172 0.000 -2.004) 2.011 18.114 ( -2.939 0.000 3.667) 4.700 18.805 ( -1.364 0.000 -0.342) 1.407 18.831 ( -1.967 0.000 0.161) 1.973 19.631 ( 0.470 0.000 0.020) 0.470 19.805 ( -8.240 0.000 4.997) 9.637 20.158 ( 12.718 0.000 -13.138) 18.285 20.505 ( -3.361 0.000 8.890) 9.504 21.576 ( -0.671 0.000 -0.087) 0.677 21.587 ( -0.795 0.000 0.150) 0.809 ======================= Grid point 194 (85/110) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 11.783 0.000 1.927) 11.939 1.042 ( 8.625 0.000 2.573) 9.001 1.098 ( 7.515 0.000 2.476) 7.913 1.200 ( 0.926 0.000 1.590) 1.840 1.300 ( 0.517 0.000 1.309) 1.408 1.314 ( 0.711 0.000 -1.309) 1.490 1.353 ( 4.299 0.000 -0.082) 4.300 1.383 ( 3.586 0.000 -1.286) 3.809 1.464 ( -1.790 0.000 -4.189) 4.555 1.467 ( 3.612 0.000 1.961) 4.110 1.694 ( -1.458 0.000 -5.519) 5.708 1.713 ( -1.645 0.000 0.362) 1.684 1.757 ( -2.914 0.000 2.196) 3.648 1.761 ( -2.230 0.000 0.029) 2.230 1.856 ( 3.436 0.000 0.299) 3.449 1.984 ( -1.469 0.000 0.122) 1.474 1.985 ( -0.226 0.000 -0.761) 0.794 2.049 ( 0.269 0.000 2.422) 2.437 2.144 ( -3.172 0.000 -1.427) 3.478 2.176 ( -2.670 0.000 -1.601) 3.113 2.201 ( 3.247 0.000 -0.246) 3.257 2.247 ( 0.418 0.000 -1.776) 1.824 2.300 ( -0.811 0.000 0.586) 1.000 2.364 ( -2.161 0.000 2.647) 3.417 3.443 ( -0.212 0.000 -0.261) 0.337 3.453 ( -0.786 0.000 0.210) 0.814 3.680 ( 0.194 0.000 0.115) 0.226 3.683 ( 0.070 0.000 -0.063) 0.095 4.763 ( 0.258 0.000 0.010) 0.258 4.780 ( -0.466 0.000 -0.014) 0.466 5.208 ( -0.253 0.000 0.536) 0.593 5.216 ( -0.448 0.000 -0.490) 0.664 6.696 ( 0.660 0.000 0.663) 0.935 6.719 ( -0.197 0.000 -0.625) 0.656 6.925 ( 0.449 0.000 0.056) 0.453 6.945 ( -0.355 0.000 -0.053) 0.359 7.112 ( -0.597 0.000 0.647) 0.880 7.113 ( -0.424 0.000 -0.575) 0.714 7.665 ( 0.225 0.000 0.024) 0.227 7.670 ( 0.077 0.000 -0.214) 0.228 8.093 ( -0.412 0.000 0.036) 0.414 8.095 ( -0.460 0.000 -0.067) 0.465 8.471 ( 0.808 0.000 -0.445) 0.923 8.475 ( 0.538 0.000 0.412) 0.678 8.932 ( 0.571 0.000 -1.920) 2.004 8.933 ( 0.044 0.000 2.287) 2.287 9.592 ( 0.031 0.000 -0.260) 0.262 9.602 ( -0.478 0.000 0.521) 0.708 10.216 ( -1.931 0.000 8.233) 8.456 10.272 ( -2.908 0.000 -9.263) 9.709 10.807 ( -0.065 0.000 0.978) 0.980 10.822 ( -0.663 0.000 -0.682) 0.951 10.842 ( -0.033 0.000 0.602) 0.603 10.846 ( -0.025 0.000 -0.835) 0.836 10.956 ( -0.096 0.000 -1.338) 1.341 10.958 ( -0.670 0.000 1.433) 1.582 12.382 ( 0.034 0.000 1.389) 1.390 12.416 ( -1.269 0.000 -1.161) 1.720 13.017 ( 0.070 0.000 -0.006) 0.070 13.025 ( -0.535 0.000 -0.056) 0.537 14.391 ( 1.398 0.000 -1.404) 1.982 14.409 ( 0.207 0.000 1.325) 1.341 14.980 ( 0.674 0.000 -4.012) 4.068 14.998 ( -1.071 0.000 4.009) 4.150 16.031 ( 3.626 0.000 7.952) 8.740 16.039 ( 4.942 0.000 -8.093) 9.483 16.499 ( 2.945 0.000 -2.764) 4.039 16.536 ( 1.044 0.000 2.710) 2.904 17.024 ( 0.800 0.000 -0.132) 0.810 17.052 ( -0.738 0.000 -0.412) 0.845 17.368 ( -2.957 0.000 3.910) 4.902 17.380 ( -2.062 0.000 -6.761) 7.069 17.541 ( -2.422 0.000 4.719) 5.305 17.687 ( -8.299 0.000 -1.745) 8.480 18.083 ( 0.222 0.000 -1.846) 1.859 18.090 ( -0.860 0.000 2.241) 2.401 18.786 ( -0.499 0.000 -0.258) 0.562 18.801 ( -1.253 0.000 0.231) 1.274 19.631 ( 0.008 0.000 -0.506) 0.506 19.693 ( -4.356 0.000 1.969) 4.780 20.332 ( 8.295 0.000 -10.425) 13.322 20.475 ( -2.548 0.000 9.040) 9.392 21.566 ( -0.309 0.000 -0.139) 0.338 21.573 ( -0.649 0.000 0.190) 0.676 ======================= Grid point 195 (86/110) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -8.607 0.000 -1.080) 8.675 1.133 ( 8.607 0.000 1.080) 8.675 1.167 ( -2.764 0.000 -0.896) 2.906 1.167 ( 2.764 0.000 0.896) 2.906 1.259 ( -1.513 0.000 -1.061) 1.848 1.259 ( 1.513 0.000 1.061) 1.848 1.428 ( 1.225 0.000 -0.589) 1.359 1.428 ( -1.225 0.000 0.589) 1.359 1.528 ( 5.842 0.000 -3.828) 6.985 1.528 ( -5.842 0.000 3.828) 6.985 1.618 ( -0.925 0.000 -7.090) 7.150 1.618 ( 0.925 0.000 7.090) 7.150 1.757 ( 0.519 0.000 -0.503) 0.723 1.757 ( -0.519 0.000 0.503) 0.723 1.918 ( -4.226 0.000 1.346) 4.435 1.918 ( 4.226 0.000 -1.346) 4.435 2.046 ( -2.762 0.000 -1.758) 3.274 2.046 ( 2.762 0.000 1.758) 3.274 2.099 ( 0.948 0.000 -1.248) 1.568 2.099 ( -0.948 0.000 1.248) 1.568 2.266 ( -2.775 0.000 -0.413) 2.805 2.266 ( 2.775 0.000 0.413) 2.805 2.309 ( -3.829 0.000 0.187) 3.834 2.309 ( 3.829 0.000 -0.187) 3.834 3.443 ( 0.295 0.000 -0.270) 0.400 3.443 ( -0.295 0.000 0.270) 0.400 3.683 ( -0.083 0.000 -0.014) 0.084 3.683 ( 0.083 0.000 0.014) 0.084 4.771 ( -0.483 0.000 0.008) 0.483 4.771 ( 0.483 0.000 -0.008) 0.483 5.208 ( -0.146 0.000 -0.472) 0.494 5.208 ( 0.146 0.000 0.472) 0.494 6.710 ( -0.527 0.000 -0.802) 0.960 6.710 ( 0.527 0.000 0.802) 0.960 6.936 ( -0.559 0.000 -0.128) 0.573 6.936 ( 0.559 0.000 0.128) 0.573 7.107 ( 0.043 0.000 -0.660) 0.661 7.107 ( -0.043 0.000 0.660) 0.661 7.669 ( -0.127 0.000 -0.110) 0.168 7.669 ( 0.127 0.000 0.110) 0.168 8.089 ( -0.035 0.000 -0.037) 0.051 8.089 ( 0.035 0.000 0.037) 0.051 8.480 ( 0.159 0.000 -0.406) 0.436 8.480 ( -0.159 0.000 0.406) 0.436 8.936 ( 0.283 0.000 -1.900) 1.921 8.936 ( -0.283 0.000 1.900) 1.921 9.595 ( 0.335 0.000 -0.385) 0.510 9.595 ( -0.335 0.000 0.385) 0.510 10.220 ( -0.397 0.000 -8.411) 8.421 10.220 ( 0.397 0.000 8.411) 8.421 10.811 ( -0.298 0.000 -0.827) 0.879 10.811 ( 0.298 0.000 0.827) 0.879 10.844 ( -0.030 0.000 -0.754) 0.754 10.844 ( 0.030 0.000 0.754) 0.754 10.953 ( 0.212 0.000 -1.355) 1.371 10.953 ( -0.212 0.000 1.355) 1.371 12.393 ( -0.779 0.000 -1.344) 1.553 12.393 ( 0.779 0.000 1.344) 1.553 13.019 ( -0.188 0.000 -0.030) 0.190 13.019 ( 0.188 0.000 0.030) 0.190 14.408 ( 0.661 0.000 -1.229) 1.396 14.408 ( -0.661 0.000 1.229) 1.396 14.987 ( 0.972 0.000 -3.949) 4.067 14.987 ( -0.972 0.000 3.949) 4.067 16.078 ( 0.856 0.000 -7.990) 8.036 16.078 ( -0.856 0.000 7.990) 8.036 16.538 ( 1.371 0.000 -1.928) 2.365 16.538 ( -1.371 0.000 1.928) 2.365 17.042 ( 0.690 0.000 -0.364) 0.780 17.042 ( -0.690 0.000 0.364) 0.780 17.339 ( 0.508 0.000 -5.794) 5.817 17.339 ( -0.508 0.000 5.794) 5.817 17.567 ( -3.253 0.000 -5.429) 6.329 17.567 ( 3.253 0.000 5.429) 6.329 18.084 ( 0.372 0.000 -1.886) 1.922 18.084 ( -0.372 0.000 1.886) 1.922 18.785 ( 0.408 0.000 -0.235) 0.471 18.785 ( -0.408 0.000 0.235) 0.471 19.642 ( 1.547 0.000 -0.851) 1.766 19.642 ( -1.547 0.000 0.851) 1.766 20.431 ( 4.588 0.000 -9.233) 10.310 20.431 ( -4.588 0.000 9.233) 10.310 21.565 ( 0.219 0.000 -0.169) 0.277 21.565 ( -0.219 0.000 0.169) 0.277 ======================= Grid point 201 (87/110) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -8.536 8.200 -6.020) 13.279 0.373 ( 8.536 8.200 6.020) 13.279 0.671 ( 3.356 8.823 -12.765) 15.877 0.671 ( -3.356 8.823 12.765) 15.877 1.062 ( -6.822 2.740 -12.972) 14.910 1.062 ( 6.822 2.740 12.972) 14.910 1.216 ( 1.677 5.525 -8.656) 10.405 1.216 ( -1.677 5.525 8.656) 10.405 1.384 ( 1.096 -0.077 -3.135) 3.322 1.384 ( -1.096 -0.077 3.135) 3.322 1.573 ( 1.549 -0.929 -0.827) 1.986 1.573 ( -1.549 -0.929 0.827) 1.986 1.682 ( -4.077 -0.723 -2.375) 4.773 1.682 ( 4.077 -0.723 2.375) 4.773 1.798 ( 0.444 -2.745 -1.806) 3.315 1.798 ( -0.444 -2.745 1.806) 3.315 2.030 ( -0.500 -3.607 -1.939) 4.125 2.030 ( 0.500 -3.607 1.939) 4.125 2.139 ( -0.491 -1.166 -1.305) 1.818 2.139 ( 0.491 -1.166 1.305) 1.818 2.282 ( -0.281 4.125 -4.519) 6.126 2.282 ( 0.281 4.125 4.519) 6.126 2.740 ( 0.776 -2.941 -8.267) 8.809 2.740 ( -0.776 -2.941 8.267) 8.809 3.483 ( -0.258 1.143 -0.200) 1.189 3.483 ( 0.258 1.143 0.200) 1.189 3.686 ( -0.038 0.522 -0.578) 0.780 3.686 ( 0.038 0.522 0.578) 0.780 4.785 ( -0.241 0.791 -0.200) 0.851 4.785 ( 0.241 0.791 0.200) 0.851 5.237 ( 0.206 -0.244 -0.956) 1.008 5.237 ( -0.206 -0.244 0.956) 1.008 6.709 ( -0.443 0.562 -0.996) 1.226 6.709 ( 0.443 0.562 0.996) 1.226 6.929 ( -0.228 -0.213 -0.217) 0.380 6.929 ( 0.228 -0.213 0.217) 0.380 7.171 ( -0.428 -0.301 -0.391) 0.653 7.171 ( 0.428 -0.301 0.391) 0.653 7.695 ( 0.183 0.038 -0.794) 0.816 7.695 ( -0.183 0.038 0.794) 0.816 8.134 ( 0.028 0.071 -0.219) 0.232 8.134 ( -0.028 0.071 0.219) 0.232 8.404 ( -0.147 -0.639 -0.434) 0.786 8.404 ( 0.147 -0.639 0.434) 0.786 8.799 ( -1.178 1.357 0.061) 1.798 8.799 ( 1.178 1.357 -0.061) 1.798 9.628 ( -0.161 0.552 -0.279) 0.639 9.628 ( 0.161 0.552 0.279) 0.639 10.524 ( -0.046 -7.070 -9.643) 11.957 10.524 ( 0.046 -7.070 9.643) 11.957 10.863 ( -0.189 -0.616 -0.914) 1.118 10.863 ( 0.189 -0.616 0.914) 1.118 10.897 ( -1.548 1.190 0.296) 1.975 10.897 ( 1.548 1.190 -0.296) 1.975 10.989 ( -2.090 -0.813 0.256) 2.257 10.989 ( 2.090 -0.813 -0.256) 2.257 12.497 ( -1.438 0.635 -0.219) 1.587 12.497 ( 1.438 0.635 0.219) 1.587 13.082 ( -0.608 1.660 -2.659) 3.193 13.082 ( 0.608 1.660 2.659) 3.193 14.345 ( -0.258 1.191 -3.180) 3.405 14.345 ( 0.258 1.191 3.180) 3.405 15.031 ( 0.370 3.386 -4.202) 5.409 15.031 ( -0.370 3.386 4.202) 5.409 15.630 ( 0.028 1.523 -3.820) 4.113 15.630 ( -0.028 1.523 3.820) 4.113 16.293 ( 0.940 0.083 -3.188) 3.324 16.293 ( -0.940 0.083 3.188) 3.324 17.058 ( -1.330 -7.032 -0.580) 7.180 17.058 ( 1.330 -7.032 0.580) 7.180 17.512 ( 2.005 8.272 -4.751) 9.748 17.512 ( -2.005 8.272 4.751) 9.748 18.062 ( -0.067 -0.265 -0.874) 0.915 18.062 ( 0.067 -0.265 0.874) 0.915 18.342 ( -15.845 -7.100 -0.314) 17.365 18.342 ( 15.845 -7.100 0.314) 17.365 18.942 ( 0.119 1.349 -0.594) 1.479 18.942 ( -0.119 1.349 0.594) 1.479 19.440 ( -6.593 7.736 -1.064) 10.220 19.440 ( 6.593 7.736 1.064) 10.220 20.500 ( -5.977 -12.013 -4.745) 14.232 20.500 ( 5.977 -12.013 4.745) 14.232 21.623 ( -0.470 0.673 -0.036) 0.822 21.623 ( 0.470 0.673 0.036) 0.822 ======================= Grid point 203 (88/110) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 5.579 2.432 -9.408) 11.205 0.572 ( 9.886 7.793 3.478) 13.060 0.667 ( 0.353 8.885 8.442) 12.261 0.706 ( 2.859 2.653 -15.214) 15.706 0.975 ( 3.069 8.431 -6.440) 11.044 1.153 ( -0.440 1.577 -0.651) 1.762 1.247 ( 5.255 -0.034 4.331) 6.810 1.319 ( 4.533 4.207 1.108) 6.283 1.356 ( -0.081 2.218 5.754) 6.167 1.414 ( 2.081 1.396 2.877) 3.816 1.569 ( 1.681 -1.650 0.239) 2.368 1.617 ( 2.195 -1.081 1.673) 2.964 1.643 ( 0.590 -1.046 -2.392) 2.677 1.758 ( 1.461 -0.109 4.779) 4.999 1.853 ( 4.126 -3.720 0.656) 5.594 1.887 ( 8.039 -4.316 0.836) 9.163 2.008 ( 0.361 -3.002 -3.257) 4.444 2.021 ( -1.211 -2.508 -0.793) 2.896 2.112 ( -2.248 -0.510 -0.194) 2.313 2.162 ( 1.200 -1.085 0.892) 1.848 2.249 ( -1.768 4.598 -3.379) 5.974 2.293 ( -0.303 2.812 2.595) 3.838 2.655 ( -7.118 -2.677 -4.794) 8.989 2.666 ( -7.422 -2.245 1.029) 7.822 3.470 ( -0.594 0.723 0.149) 0.947 3.497 ( 0.526 1.432 -0.091) 1.528 3.675 ( -0.374 0.362 0.043) 0.522 3.695 ( 0.344 0.972 -0.174) 1.046 4.777 ( -0.351 0.489 0.138) 0.617 4.793 ( 0.240 0.760 -0.121) 0.806 5.229 ( -0.524 -0.407 0.430) 0.791 5.239 ( -0.000 -0.151 -0.417) 0.444 6.693 ( -0.762 0.436 -0.569) 1.046 6.719 ( 0.361 0.736 0.474) 0.947 6.924 ( -0.247 -0.096 -0.116) 0.289 6.935 ( 0.348 -0.225 0.275) 0.497 7.154 ( -0.981 -0.340 -0.198) 1.057 7.170 ( -0.619 -0.108 0.154) 0.647 7.677 ( -0.988 0.011 0.235) 1.015 7.692 ( -0.642 0.462 -0.361) 0.869 8.130 ( -0.446 0.099 0.179) 0.490 8.131 ( -0.343 0.060 -0.118) 0.368 8.404 ( 0.308 -0.911 -0.146) 0.973 8.419 ( 1.030 -0.412 0.096) 1.114 8.816 ( 2.374 0.574 0.811) 2.573 8.852 ( 3.606 1.113 -0.594) 3.820 9.622 ( -0.447 0.579 -0.249) 0.772 9.629 ( -0.191 0.537 0.347) 0.667 10.424 ( -6.084 -3.164 2.366) 7.254 10.544 ( -2.371 -9.157 1.057) 9.518 10.836 ( -1.913 -0.367 -0.621) 2.045 10.862 ( -1.060 -0.317 -0.280) 1.141 10.876 ( -0.401 0.816 0.705) 1.151 10.911 ( -1.049 2.056 -0.190) 2.316 10.945 ( -0.264 -0.226 -1.740) 1.774 11.004 ( -0.315 -0.687 -0.184) 0.778 12.453 ( -2.671 0.217 0.014) 2.680 12.508 ( -0.379 1.258 0.015) 1.314 13.033 ( -1.582 1.731 -0.849) 2.494 13.108 ( -0.031 1.798 -0.397) 1.841 14.340 ( 0.580 1.515 -2.899) 3.322 14.360 ( 0.572 0.856 2.693) 2.883 15.016 ( -0.173 2.682 -0.606) 2.755 15.044 ( 0.119 3.611 -0.236) 3.621 15.654 ( 3.926 -0.215 -0.963) 4.048 15.690 ( 4.561 1.746 0.503) 4.910 16.317 ( 2.417 -0.430 3.001) 3.877 16.336 ( 3.616 0.126 -2.764) 4.554 17.027 ( -1.342 -4.919 -0.129) 5.100 17.092 ( 1.463 -7.938 0.049) 8.072 17.454 ( -3.316 10.660 2.322) 11.402 17.533 ( -0.098 4.678 -2.627) 5.366 18.027 ( -11.122 -4.040 -3.553) 12.355 18.053 ( -2.044 -0.937 -0.353) 2.276 18.074 ( -1.002 -2.291 -0.588) 2.569 18.509 ( -1.118 1.715 -1.358) 2.457 18.908 ( -3.380 2.620 1.031) 4.399 18.924 ( -1.687 1.151 -0.109) 2.045 19.418 ( 6.546 -0.008 0.248) 6.551 19.632 ( 11.275 4.894 -3.186) 12.698 20.232 ( -15.740 -7.684 3.824) 17.928 20.572 ( -2.584 -11.446 4.485) 12.562 21.612 ( -0.537 0.432 0.151) 0.705 21.625 ( -0.452 1.097 0.123) 1.193 ======================= Grid point 204 (89/110) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 12.806 -0.393 -5.627) 13.993 0.695 ( 5.578 -1.534 -7.791) 9.704 0.741 ( 4.392 5.369 4.360) 8.193 0.809 ( 10.724 4.522 2.714) 11.951 1.115 ( 10.105 7.939 -2.066) 13.016 1.169 ( 2.093 -1.311 -0.775) 2.589 1.269 ( -1.845 -1.513 1.650) 2.901 1.340 ( 1.530 0.410 -3.077) 3.461 1.437 ( 3.783 4.232 0.361) 5.687 1.488 ( 1.810 -0.037 5.096) 5.408 1.635 ( 1.906 -3.953 0.277) 4.397 1.657 ( 2.638 -0.640 -1.023) 2.900 1.682 ( 4.069 -0.781 7.864) 8.889 1.787 ( 2.307 2.825 0.016) 3.647 1.877 ( -1.441 -3.471 0.700) 3.823 1.977 ( 0.110 -3.927 -0.361) 3.945 2.047 ( -1.203 -1.622 -1.296) 2.400 2.055 ( 1.760 2.345 1.260) 3.191 2.076 ( 5.483 -3.384 2.043) 6.760 2.175 ( -0.118 0.578 -2.496) 2.565 2.211 ( -0.969 3.232 -0.531) 3.416 2.289 ( -0.300 0.365 1.024) 1.127 2.484 ( -8.666 -2.859 -5.206) 10.506 2.501 ( -8.803 -1.753 -0.473) 8.988 3.460 ( -0.488 0.444 0.016) 0.660 3.499 ( -0.325 1.475 -0.045) 1.511 3.673 ( 0.141 0.450 0.113) 0.485 3.699 ( 0.121 1.358 -0.086) 1.366 4.771 ( -0.378 0.363 0.170) 0.551 4.794 ( -0.063 0.434 -0.214) 0.488 5.219 ( -0.600 -0.490 0.470) 0.906 5.235 ( -0.368 -0.176 -0.415) 0.582 6.681 ( -0.272 0.223 -0.187) 0.398 6.725 ( 0.211 0.770 0.144) 0.812 6.920 ( -0.128 -0.009 -0.115) 0.172 6.943 ( 0.292 -0.204 0.311) 0.473 7.135 ( -0.893 -0.350 -0.111) 0.966 7.152 ( -1.119 0.094 0.025) 1.123 7.664 ( -0.336 0.055 0.009) 0.341 7.679 ( -0.473 0.668 -0.329) 0.882 8.119 ( -0.720 0.097 0.095) 0.733 8.121 ( -0.615 0.106 -0.069) 0.628 8.415 ( 0.845 -1.155 -0.147) 1.438 8.441 ( 1.184 -0.255 0.060) 1.213 8.869 ( 2.478 -0.077 0.997) 2.672 8.912 ( 2.506 0.991 -0.312) 2.713 9.611 ( -0.513 0.618 -0.218) 0.832 9.624 ( -0.400 0.535 0.462) 0.812 10.322 ( -5.253 -0.936 5.599) 7.734 10.452 ( -5.717 -6.482 -4.770) 9.872 10.803 ( -0.990 -0.167 -0.669) 1.207 10.839 ( -1.078 -0.519 -0.294) 1.232 10.871 ( -0.321 0.831 0.223) 0.918 10.888 ( -0.775 2.037 -0.371) 2.211 10.953 ( 0.534 -0.505 -1.258) 1.457 10.989 ( -1.133 -0.278 0.801) 1.416 12.409 ( -1.807 0.135 0.569) 1.899 12.490 ( -1.268 1.416 -0.337) 1.930 13.019 ( -0.026 1.183 -0.412) 1.253 13.089 ( -1.449 1.979 -0.208) 2.462 14.353 ( 1.295 1.464 -2.307) 3.023 14.379 ( 0.782 0.602 2.008) 2.238 15.018 ( 0.421 2.779 -1.647) 3.258 15.038 ( -0.670 3.003 1.055) 3.253 15.761 ( 6.837 -1.270 -0.075) 6.954 15.799 ( 6.498 0.585 -0.417) 6.538 16.382 ( 3.460 -0.464 0.806) 3.583 16.404 ( 3.697 -0.529 -0.224) 3.741 17.006 ( -0.837 -2.929 0.463) 3.081 17.104 ( -0.315 -5.281 0.071) 5.291 17.414 ( -0.988 8.199 0.344) 8.266 17.499 ( -2.693 1.889 -1.598) 3.657 17.799 ( -10.133 -4.871 -4.078) 11.959 18.025 ( -2.243 0.325 0.414) 2.304 18.076 ( 0.154 -0.406 0.202) 0.479 18.347 ( -12.223 7.987 1.387) 14.667 18.851 ( -2.434 1.374 -0.139) 2.799 18.884 ( -2.397 1.045 0.185) 2.622 19.568 ( 5.759 -1.835 1.551) 6.240 19.856 ( 12.475 -1.206 -5.370) 13.635 19.976 ( -10.349 -4.407 0.444) 11.257 20.496 ( -4.835 -8.023 5.744) 10.988 21.602 ( -0.597 0.508 0.176) 0.803 21.609 ( -1.127 1.009 0.009) 1.512 ======================= Grid point 205 (90/110) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 10.847 1.859 -1.004) 11.051 0.845 ( 6.536 1.157 6.379) 9.206 0.870 ( 12.351 -8.734 -5.594) 16.128 1.030 ( 10.475 4.811 2.861) 11.877 1.187 ( -1.058 -5.149 2.031) 5.636 1.259 ( 2.233 -2.882 -0.001) 3.646 1.303 ( 6.894 4.254 0.318) 8.107 1.370 ( 3.249 2.066 -1.767) 4.236 1.463 ( -3.198 -3.539 -0.582) 4.805 1.496 ( 0.896 3.166 0.543) 3.335 1.625 ( 0.130 -3.516 -4.217) 5.492 1.716 ( 1.910 -2.005 0.059) 2.770 1.772 ( 2.961 1.660 2.245) 4.070 1.835 ( -0.057 1.113 0.378) 1.177 1.891 ( 2.367 0.690 1.375) 2.823 1.952 ( -0.572 2.412 3.001) 3.892 1.994 ( -2.711 -0.280 -0.124) 2.729 2.079 ( -0.105 0.745 0.361) 0.834 2.153 ( 1.284 -3.504 0.342) 3.747 2.179 ( 1.346 1.720 -2.003) 2.964 2.197 ( -1.581 0.774 0.867) 1.962 2.292 ( 0.445 -1.511 -0.950) 1.840 2.315 ( -6.992 -2.361 -5.366) 9.125 2.365 ( -4.612 -2.930 2.499) 6.009 3.452 ( -0.353 0.398 -0.093) 0.540 3.485 ( -0.966 1.315 0.027) 1.631 3.679 ( 0.416 0.695 0.102) 0.816 3.700 ( -0.008 1.447 -0.019) 1.447 4.765 ( -0.151 0.337 0.099) 0.382 4.790 ( -0.287 0.231 -0.129) 0.390 5.210 ( -0.492 -0.477 0.419) 0.803 5.224 ( -0.577 -0.245 -0.369) 0.728 6.682 ( 0.352 -0.036 0.205) 0.409 6.727 ( -0.068 0.558 -0.188) 0.593 6.919 ( 0.136 -0.010 -0.065) 0.152 6.946 ( 0.009 -0.209 0.175) 0.273 7.120 ( -0.696 -0.248 0.004) 0.739 7.131 ( -1.014 0.128 0.006) 1.022 7.663 ( 0.114 0.141 0.012) 0.182 7.674 ( -0.045 0.497 -0.293) 0.579 8.105 ( -0.693 0.105 0.026) 0.702 8.108 ( -0.675 0.166 -0.039) 0.696 8.434 ( 1.134 -1.262 -0.124) 1.701 8.462 ( 0.872 -0.311 0.056) 0.928 8.909 ( 1.518 0.072 0.432) 1.580 8.944 ( 0.902 1.088 0.140) 1.420 9.602 ( -0.329 0.642 -0.209) 0.751 9.616 ( -0.469 0.555 0.507) 0.886 10.250 ( -3.719 -0.308 6.687) 7.657 10.336 ( -4.466 -3.483 -7.430) 9.342 10.792 ( -0.261 -0.760 0.086) 0.808 10.820 ( -0.820 -0.822 -0.467) 1.252 10.866 ( -0.219 0.999 -0.061) 1.024 10.876 ( -0.485 1.790 -0.021) 1.855 10.955 ( 0.038 -0.537 -1.306) 1.412 10.969 ( -1.092 -0.227 1.293) 1.708 12.387 ( -0.684 0.239 1.001) 1.236 12.461 ( -1.572 1.314 -0.655) 2.151 13.021 ( 0.175 0.892 -0.096) 0.914 13.061 ( -1.330 1.687 -0.090) 2.151 14.375 ( 1.455 1.124 -1.714) 2.514 14.398 ( 0.700 0.318 1.503) 1.689 15.017 ( 0.257 3.464 -4.069) 5.350 15.030 ( -0.681 2.261 3.818) 4.489 15.898 ( 6.862 -1.535 0.695) 7.065 15.925 ( 6.460 -0.506 -1.114) 6.575 16.445 ( 3.258 -0.038 -2.279) 3.976 16.472 ( 2.936 -1.408 2.515) 4.115 17.000 ( 0.164 -1.354 0.893) 1.630 17.085 ( -1.315 -1.349 -0.296) 1.907 17.410 ( -0.226 2.060 -2.452) 3.210 17.433 ( -3.125 1.923 0.183) 3.674 17.613 ( -8.553 -3.884 -0.178) 9.395 17.933 ( -8.440 3.880 0.818) 9.325 18.079 ( 0.079 -0.208 0.273) 0.353 18.156 ( -5.997 3.815 0.308) 7.114 18.812 ( -1.574 0.704 -0.268) 1.745 18.839 ( -2.153 0.745 0.236) 2.291 19.628 ( 0.884 -0.242 0.387) 0.995 19.794 ( -7.367 -1.040 3.425) 8.191 20.101 ( 12.343 -5.132 -10.149) 16.783 20.443 ( -2.295 -5.969 6.841) 9.365 21.586 ( -1.023 0.824 -0.025) 1.314 21.590 ( -0.766 0.280 0.143) 0.828 ======================= Grid point 206 (91/110) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 8.936 -2.303 0.051) 9.228 0.992 ( 7.427 -2.266 3.878) 8.679 1.103 ( 9.364 -5.868 0.686) 11.072 1.157 ( -2.343 -6.144 2.982) 7.220 1.191 ( 5.859 0.649 -0.659) 5.932 1.293 ( 1.476 -3.195 0.510) 3.556 1.331 ( -3.200 -2.469 0.623) 4.089 1.405 ( 0.200 -2.040 -1.553) 2.571 1.491 ( 1.812 4.795 -2.608) 5.751 1.507 ( 5.428 2.585 2.181) 6.395 1.627 ( 0.060 -3.159 -4.175) 5.236 1.719 ( -0.177 -2.945 0.882) 3.079 1.796 ( -3.472 3.642 -0.777) 5.091 1.814 ( -3.858 4.129 -0.518) 5.675 1.877 ( 2.418 1.788 0.239) 3.017 1.920 ( -1.775 -1.664 -1.410) 2.812 2.031 ( 2.554 1.722 1.053) 3.256 2.074 ( -1.412 0.740 1.935) 2.507 2.136 ( -1.331 -0.654 -0.203) 1.497 2.156 ( -3.090 -2.536 -2.951) 4.969 2.203 ( 1.155 0.520 0.079) 1.269 2.235 ( 1.372 -0.344 0.220) 1.432 2.287 ( -1.199 -1.349 0.234) 1.820 2.328 ( -1.242 -3.253 1.422) 3.761 3.447 ( -0.037 0.545 -0.132) 0.562 3.466 ( -0.977 1.073 0.089) 1.454 3.688 ( 0.411 0.945 0.053) 1.031 3.698 ( -0.120 1.335 -0.005) 1.340 4.766 ( 0.230 0.291 0.055) 0.375 4.782 ( -0.450 0.205 -0.058) 0.498 5.204 ( -0.187 -0.424 0.343) 0.577 5.212 ( -0.511 -0.309 -0.320) 0.677 6.694 ( 0.702 -0.167 0.480) 0.866 6.721 ( -0.433 0.211 -0.458) 0.665 6.925 ( 0.417 -0.064 0.039) 0.423 6.943 ( -0.346 -0.199 -0.024) 0.400 7.110 ( -0.357 -0.089 0.138) 0.393 7.115 ( -0.616 0.088 -0.079) 0.627 7.667 ( 0.253 0.199 0.069) 0.329 7.673 ( -0.004 0.328 -0.217) 0.394 8.094 ( -0.379 0.138 -0.004) 0.404 8.097 ( -0.471 0.195 -0.014) 0.510 8.455 ( 1.021 -1.179 -0.099) 1.563 8.473 ( 0.228 -0.578 0.068) 0.625 8.932 ( 0.902 0.505 0.045) 1.035 8.952 ( -0.073 1.091 0.234) 1.118 9.599 ( 0.015 0.633 -0.243) 0.679 9.608 ( -0.458 0.583 0.435) 0.859 10.211 ( -1.929 -0.371 6.851) 7.127 10.252 ( -2.371 -1.770 -7.465) 8.030 10.791 ( 0.053 -0.950 0.448) 1.051 10.806 ( -0.567 -0.918 -0.578) 1.224 10.863 ( -0.051 1.130 -0.114) 1.137 10.868 ( -0.337 1.538 0.073) 1.576 10.951 ( -0.060 -0.472 -1.332) 1.415 10.955 ( -0.713 -0.308 1.389) 1.591 12.386 ( 0.287 0.506 1.108) 1.251 12.429 ( -1.491 1.122 -0.885) 2.065 13.024 ( 0.173 0.873 -0.002) 0.890 13.040 ( -0.810 1.278 -0.050) 1.514 14.397 ( 1.131 0.664 -1.290) 1.840 14.410 ( 0.208 0.172 1.189) 1.219 15.014 ( 0.460 3.214 -3.653) 4.887 15.025 ( -0.785 2.659 3.581) 4.529 16.012 ( 4.560 -1.685 -0.116) 4.863 16.026 ( 3.828 -1.078 -0.024) 3.977 16.496 ( 2.594 -0.368 -2.721) 3.777 16.520 ( 1.243 -1.415 2.627) 3.233 17.018 ( 1.439 -0.340 0.421) 1.538 17.062 ( -0.856 0.426 -0.393) 1.034 17.350 ( -2.877 -1.763 -2.633) 4.280 17.397 ( -4.067 1.210 0.212) 4.248 17.517 ( 0.066 -1.049 3.231) 3.398 17.745 ( -9.526 4.578 -0.744) 10.595 18.081 ( 0.091 -0.067 0.414) 0.429 18.099 ( -1.206 0.735 -0.376) 1.461 18.791 ( -0.594 0.412 -0.186) 0.746 18.805 ( -1.371 0.469 0.194) 1.462 19.632 ( 0.065 0.138 -0.228) 0.274 19.692 ( -3.977 -0.127 1.393) 4.216 20.279 ( 8.295 -5.026 -8.187) 12.692 20.423 ( -2.017 -5.024 7.053) 8.891 21.571 ( -0.510 0.380 -0.068) 0.639 21.576 ( -0.660 0.269 0.130) 0.725 ======================= Grid point 207 (92/110) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -3.452 -7.022 -0.921) 7.879 1.049 ( 3.452 -7.022 0.921) 7.879 1.143 ( -1.734 -1.650 -3.443) 4.193 1.143 ( 1.734 -1.650 3.443) 4.193 1.270 ( 1.954 -1.956 -1.484) 3.138 1.270 ( -1.954 -1.956 1.484) 3.138 1.376 ( -3.532 -3.343 -2.778) 5.600 1.376 ( 3.532 -3.343 2.778) 5.600 1.528 ( -3.905 0.628 -1.982) 4.424 1.528 ( 3.905 0.628 1.982) 4.424 1.683 ( -5.972 3.941 -4.601) 8.507 1.683 ( 5.972 3.941 4.601) 8.507 1.744 ( -1.208 0.199 -1.118) 1.657 1.744 ( 1.208 0.199 1.118) 1.657 1.908 ( 1.729 -0.877 -2.815) 3.418 1.908 ( -1.729 -0.877 2.815) 3.418 2.068 ( -2.732 0.494 -1.549) 3.179 2.068 ( 2.732 0.494 1.549) 3.179 2.102 ( -2.206 1.320 -1.838) 3.160 2.102 ( 2.206 1.320 1.838) 3.160 2.250 ( -2.218 -1.610 -0.909) 2.888 2.250 ( 2.218 -1.610 0.909) 2.888 2.290 ( -2.659 -1.607 -1.094) 3.294 2.290 ( 2.659 -1.607 1.094) 3.294 3.451 ( -0.062 0.800 -0.217) 0.831 3.451 ( 0.062 0.800 0.217) 0.831 3.695 ( -0.171 1.153 -0.101) 1.170 3.695 ( 0.171 1.153 0.101) 1.170 4.773 ( -0.452 0.243 -0.041) 0.515 4.773 ( 0.452 0.243 0.041) 0.515 5.205 ( -0.150 -0.366 -0.404) 0.565 5.205 ( 0.150 -0.366 0.404) 0.565 6.709 ( -0.573 -0.078 -0.745) 0.943 6.709 ( 0.573 -0.078 0.745) 0.943 6.934 ( -0.524 -0.142 -0.105) 0.553 6.934 ( 0.524 -0.142 0.105) 0.553 7.108 ( 0.035 0.025 -0.647) 0.648 7.108 ( -0.035 0.025 0.647) 0.648 7.671 ( -0.150 0.243 -0.138) 0.317 7.671 ( 0.150 0.243 0.138) 0.317 8.091 ( -0.014 0.178 -0.061) 0.188 8.091 ( 0.014 0.178 0.061) 0.188 8.470 ( -0.082 -0.920 -0.322) 0.978 8.470 ( 0.082 -0.920 0.322) 0.978 8.946 ( 0.195 0.891 -1.693) 1.923 8.946 ( -0.195 0.891 1.693) 1.923 9.602 ( 0.270 0.609 -0.357) 0.756 9.602 ( -0.270 0.609 0.357) 0.756 10.210 ( -0.059 -0.830 -7.490) 7.536 10.210 ( 0.059 -0.830 7.490) 7.536 10.796 ( -0.320 -0.942 -0.576) 1.150 10.796 ( 0.320 -0.942 0.576) 1.150 10.863 ( 0.092 1.295 -0.653) 1.454 10.863 ( -0.092 1.295 0.653) 1.454 10.949 ( 0.247 -0.394 -1.395) 1.471 10.949 ( -0.247 -0.394 1.395) 1.471 12.402 ( -0.934 0.836 -1.194) 1.731 12.402 ( 0.934 0.836 1.194) 1.731 13.029 ( -0.366 0.999 -0.034) 1.064 13.029 ( 0.366 0.999 0.034) 1.064 14.410 ( 0.462 0.293 -1.262) 1.375 14.410 ( -0.462 0.293 1.262) 1.375 15.018 ( 0.773 2.980 -3.752) 4.853 15.018 ( -0.773 2.980 3.752) 4.853 16.061 ( 0.952 -1.493 -7.427) 7.635 16.061 ( -0.952 -1.493 7.427) 7.635 16.527 ( 0.959 -0.983 -3.510) 3.769 16.527 ( -0.959 -0.983 3.510) 3.769 17.046 ( -0.679 0.366 -0.240) 0.808 17.046 ( 0.679 0.366 0.240) 0.808 17.328 ( 1.203 -1.178 -5.487) 5.739 17.328 ( -1.203 -1.178 5.487) 5.739 17.591 ( -3.687 2.319 -4.729) 6.429 17.591 ( 3.687 2.319 4.729) 6.429 18.085 ( 0.085 0.144 -1.772) 1.780 18.085 ( -0.085 0.144 1.772) 1.780 18.789 ( 0.391 0.339 -0.153) 0.540 18.789 ( -0.391 0.339 0.153) 0.540 19.643 ( 0.295 0.160 -0.565) 0.657 19.643 ( -0.295 0.160 0.565) 0.657 20.382 ( 4.036 -4.777 -8.039) 10.185 20.382 ( -4.036 -4.777 8.039) 10.185 21.568 ( 0.086 0.227 -0.105) 0.265 21.568 ( -0.086 0.227 0.105) 0.265 ======================= Grid point 213 (93/110) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -7.847 14.194 -1.455) 16.284 0.606 ( 7.847 14.194 1.455) 16.284 0.815 ( 0.343 6.149 -13.764) 15.079 0.815 ( -0.343 6.149 13.764) 15.079 1.126 ( -2.632 3.137 -0.011) 4.095 1.126 ( 2.632 3.137 0.011) 4.095 1.326 ( 1.079 3.071 -6.849) 7.583 1.326 ( -1.079 3.071 6.849) 7.583 1.387 ( -2.370 1.224 -4.995) 5.662 1.387 ( 2.370 1.224 4.995) 5.662 1.584 ( 1.609 1.199 -1.351) 2.419 1.584 ( -1.609 1.199 1.351) 2.419 1.638 ( -3.651 -2.243 -1.679) 4.602 1.638 ( 3.651 -2.243 1.679) 4.602 1.750 ( 0.512 -1.483 -2.346) 2.823 1.750 ( -0.512 -1.483 2.346) 2.823 1.952 ( 0.185 -4.284 -1.992) 4.728 1.952 ( -0.185 -4.284 1.992) 4.728 2.131 ( -0.157 0.370 -2.224) 2.260 2.131 ( 0.157 0.370 2.224) 2.260 2.341 ( 0.491 2.022 -4.224) 4.709 2.341 ( -0.491 2.022 4.224) 4.709 2.658 ( 0.426 -5.447 -6.531) 8.515 2.658 ( -0.426 -5.447 6.531) 8.515 3.510 ( -0.794 1.533 -0.049) 1.727 3.510 ( 0.794 1.533 0.049) 1.727 3.701 ( -0.289 1.027 -0.572) 1.210 3.701 ( 0.289 1.027 0.572) 1.210 4.802 ( -0.410 0.843 -0.051) 0.938 4.802 ( 0.410 0.843 0.051) 0.938 5.230 ( 0.109 -0.397 -0.741) 0.848 5.230 ( -0.109 -0.397 0.741) 0.848 6.724 ( -0.316 0.987 -0.587) 1.191 6.724 ( 0.316 0.987 0.587) 1.191 6.928 ( -0.178 0.110 -0.493) 0.535 6.928 ( 0.178 0.110 0.493) 0.535 7.161 ( -0.291 -0.699 -0.224) 0.789 7.161 ( 0.291 -0.699 0.224) 0.789 7.694 ( 0.068 -0.105 -0.453) 0.470 7.694 ( -0.068 -0.105 0.453) 0.470 8.136 ( -0.003 0.081 -0.128) 0.151 8.136 ( 0.003 0.081 0.128) 0.151 8.390 ( -0.239 -0.745 -0.389) 0.874 8.390 ( 0.239 -0.745 0.389) 0.874 8.828 ( -0.992 1.417 0.003) 1.730 8.828 ( 0.992 1.417 -0.003) 1.730 9.641 ( -0.129 0.735 -0.318) 0.811 9.641 ( 0.129 0.735 0.318) 0.811 10.404 ( 0.525 -4.879 -9.867) 11.020 10.404 ( -0.525 -4.879 9.867) 11.020 10.844 ( -0.096 -1.189 -1.080) 1.609 10.844 ( 0.096 -1.189 1.080) 1.609 10.912 ( -0.338 0.506 -0.194) 0.639 10.912 ( 0.338 0.506 0.194) 0.639 10.974 ( 1.311 -0.723 -0.746) 1.673 10.974 ( -1.311 -0.723 0.746) 1.673 12.511 ( -1.657 0.710 -0.049) 1.803 12.511 ( 1.657 0.710 0.049) 1.803 13.111 ( -0.521 1.205 -2.379) 2.717 13.111 ( 0.521 1.205 2.379) 2.717 14.375 ( 0.092 1.793 -2.637) 3.190 14.375 ( -0.092 1.793 2.637) 3.190 15.084 ( 0.402 1.811 -2.425) 3.053 15.084 ( -0.402 1.811 2.425) 3.053 15.685 ( -0.347 4.035 -2.685) 4.859 15.685 ( 0.347 4.035 2.685) 4.859 16.289 ( 1.027 -0.578 -2.651) 2.901 16.289 ( -1.027 -0.578 2.651) 2.901 16.981 ( 0.535 -1.322 -2.004) 2.460 16.981 ( -0.535 -1.322 2.004) 2.460 17.579 ( 1.450 -1.322 -9.763) 9.958 17.579 ( -1.450 -1.322 9.763) 9.958 18.058 ( 0.165 -0.003 -1.260) 1.270 18.058 ( -0.165 -0.003 1.260) 1.270 18.223 ( -14.102 -4.431 0.183) 14.783 18.223 ( 14.102 -4.431 -0.183) 14.783 18.972 ( -0.087 1.633 -0.514) 1.714 18.972 ( 0.087 1.633 0.514) 1.714 19.583 ( -3.716 6.102 -2.269) 7.496 19.583 ( 3.716 6.102 2.269) 7.496 20.283 ( -5.131 -9.083 -5.145) 11.632 20.283 ( 5.131 -9.083 5.145) 11.632 21.632 ( -0.183 0.284 -0.001) 0.338 21.632 ( 0.183 0.284 0.001) 0.338 ======================= Grid point 215 (94/110) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -3.307 13.279 -3.864) 14.220 0.747 ( 3.092 6.862 -10.264) 12.728 0.797 ( 4.686 9.387 -3.201) 10.969 0.841 ( -0.038 8.693 6.754) 11.009 1.117 ( 2.833 2.736 1.702) 4.291 1.184 ( 0.978 3.849 -0.383) 3.990 1.259 ( -2.150 0.037 2.686) 3.441 1.342 ( -0.479 0.428 -3.581) 3.638 1.414 ( 3.779 -0.472 0.285) 3.819 1.461 ( 2.399 1.380 2.826) 3.956 1.574 ( 0.707 -1.236 8.982) 9.094 1.579 ( 0.051 3.198 1.252) 3.435 1.629 ( 1.742 -0.131 -3.218) 3.662 1.745 ( 5.097 -1.693 -0.147) 5.372 1.766 ( 3.375 -5.657 1.052) 6.670 1.822 ( 4.910 0.538 0.847) 5.011 1.949 ( 1.036 -3.140 -3.420) 4.757 1.954 ( 0.885 -4.262 -1.585) 4.633 2.118 ( -1.051 1.044 -1.066) 1.826 2.144 ( 0.585 -0.449 2.472) 2.580 2.313 ( -1.910 2.259 -0.435) 2.990 2.341 ( -0.828 1.757 -0.460) 1.996 2.584 ( -6.218 -4.517 -5.386) 9.385 2.599 ( -6.540 -4.574 4.273) 9.053 3.493 ( -0.842 1.510 0.030) 1.729 3.526 ( 0.547 1.426 -0.049) 1.528 3.690 ( -0.310 1.134 -0.005) 1.176 3.716 ( 0.655 1.072 0.072) 1.259 4.791 ( -0.565 0.836 0.064) 1.011 4.807 ( 0.000 0.643 -0.098) 0.651 5.221 ( -0.583 -0.391 0.160) 0.720 5.233 ( -0.034 -0.437 -0.184) 0.476 6.707 ( -0.923 1.031 -0.109) 1.389 6.736 ( 0.426 0.884 0.023) 0.982 6.923 ( -0.158 0.073 -0.383) 0.421 6.933 ( 0.212 -0.005 0.529) 0.570 7.146 ( -0.891 -0.466 -0.039) 1.007 7.162 ( -0.384 -0.705 -0.049) 0.804 7.679 ( -0.820 0.145 0.221) 0.862 7.697 ( -0.230 0.027 -0.227) 0.324 8.132 ( -0.363 0.099 -0.062) 0.381 8.132 ( -0.368 0.098 0.111) 0.397 8.387 ( 0.147 -0.748 -0.113) 0.771 8.406 ( 1.063 -0.834 0.096) 1.354 8.836 ( 1.662 1.329 0.263) 2.144 8.869 ( 2.880 0.613 -0.361) 2.966 9.635 ( -0.407 0.766 -0.325) 0.926 9.641 ( -0.206 0.700 0.327) 0.800 10.360 ( -2.631 -3.030 -3.345) 5.224 10.399 ( -2.351 -5.486 4.268) 7.338 10.824 ( -1.255 -0.800 -0.183) 1.499 10.849 ( -0.441 -1.021 -0.139) 1.121 10.890 ( -0.911 0.634 0.880) 1.416 10.930 ( 0.359 0.309 -0.103) 0.485 10.945 ( -1.202 0.173 -0.484) 1.307 10.987 ( 0.159 -1.026 -0.756) 1.284 12.465 ( -2.685 1.023 0.149) 2.877 12.526 ( -0.129 0.550 -0.081) 0.571 13.072 ( -1.549 2.025 -0.412) 2.582 13.135 ( 0.245 0.873 0.095) 0.912 14.376 ( 0.634 2.010 -2.450) 3.232 14.383 ( 0.279 1.408 2.179) 2.609 15.066 ( -0.458 2.173 0.396) 2.256 15.103 ( 0.671 1.966 -1.490) 2.557 15.680 ( 1.937 2.988 -0.885) 3.669 15.746 ( 3.815 3.728 0.462) 5.354 16.305 ( 1.887 -0.863 2.962) 3.617 16.330 ( 3.545 -0.663 -3.265) 4.864 16.976 ( -0.411 -0.767 1.982) 2.165 16.990 ( 0.957 -2.446 -1.499) 3.025 17.534 ( -3.262 -2.480 1.452) 4.348 17.593 ( 0.073 0.329 -1.199) 1.245 17.954 ( -12.296 0.283 -1.081) 12.347 18.049 ( -0.584 0.193 0.037) 0.616 18.068 ( 0.114 0.007 0.448) 0.462 18.447 ( 6.771 -6.701 -2.034) 9.741 18.948 ( -2.181 1.454 0.197) 2.629 18.956 ( -2.227 1.796 1.384) 3.178 19.505 ( -0.704 7.317 -0.313) 7.357 19.701 ( 6.208 2.121 -0.786) 6.607 20.095 ( -10.779 -5.339 -0.918) 12.064 20.347 ( -0.710 -10.635 3.561) 11.238 21.620 ( -0.544 0.423 0.223) 0.724 21.640 ( -0.088 0.346 -0.035) 0.358 ======================= Grid point 216 (95/110) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 7.803 4.104 -4.794) 10.036 0.723 ( 0.811 5.045 -10.829) 11.974 0.865 ( 1.264 6.214 5.733) 8.548 0.966 ( 10.048 9.684 1.846) 14.076 1.147 ( -3.291 1.118 1.461) 3.770 1.182 ( 0.926 -2.879 1.286) 3.286 1.276 ( 3.213 2.121 0.951) 3.966 1.346 ( 1.739 0.601 -1.424) 2.326 1.447 ( -2.119 -3.801 0.755) 4.416 1.493 ( 3.598 -2.079 -1.181) 4.320 1.572 ( -0.797 -1.495 -0.987) 1.960 1.653 ( 1.656 0.919 1.026) 2.154 1.699 ( 6.163 2.930 9.303) 11.538 1.791 ( 1.194 -4.147 -1.571) 4.592 1.836 ( 3.699 -0.051 -1.257) 3.907 1.928 ( 4.872 0.516 1.043) 5.009 1.995 ( 4.076 -4.316 -0.928) 6.008 2.007 ( 3.742 -2.875 -2.681) 5.427 2.089 ( -1.163 1.236 0.967) 1.953 2.157 ( 0.023 -1.454 1.107) 1.828 2.272 ( -2.108 2.184 -0.616) 3.097 2.306 ( -2.823 1.025 -0.791) 3.106 2.423 ( -8.463 -3.012 -3.488) 9.637 2.459 ( -7.911 -2.418 1.551) 8.416 3.479 ( -0.656 1.385 -0.023) 1.532 3.527 ( -0.443 1.283 -0.038) 1.358 3.691 ( 0.336 1.276 0.063) 1.321 3.725 ( 0.340 1.255 0.073) 1.303 4.781 ( -0.470 0.688 0.140) 0.845 4.803 ( -0.339 0.418 -0.200) 0.574 5.210 ( -0.604 -0.421 0.174) 0.756 5.228 ( -0.441 -0.480 -0.192) 0.679 6.692 ( -0.596 0.885 -0.006) 1.067 6.740 ( 0.020 0.640 -0.050) 0.643 6.920 ( -0.105 0.048 -0.270) 0.294 6.938 ( 0.178 -0.260 0.426) 0.530 7.130 ( -0.799 -0.259 0.009) 0.840 7.148 ( -0.927 -0.487 -0.098) 1.051 7.668 ( -0.280 0.316 0.151) 0.449 7.689 ( -0.409 0.312 -0.248) 0.571 8.121 ( -0.681 0.159 0.034) 0.700 8.123 ( -0.562 0.134 0.000) 0.578 8.395 ( 0.708 -0.789 -0.093) 1.064 8.428 ( 1.166 -0.951 0.067) 1.506 8.879 ( 2.294 0.878 0.487) 2.504 8.922 ( 2.455 0.042 -0.378) 2.485 9.626 ( -0.454 0.802 -0.308) 0.972 9.636 ( -0.384 0.680 0.355) 0.858 10.298 ( -3.170 -1.415 -0.470) 3.503 10.342 ( -3.822 -4.286 1.052) 5.838 10.799 ( -1.069 -0.258 -0.403) 1.171 10.830 ( -1.166 -0.523 -0.227) 1.298 10.882 ( -0.339 0.385 1.048) 1.166 10.916 ( -0.861 1.034 -0.627) 1.484 10.943 ( 0.253 -0.468 -0.742) 0.913 10.979 ( -0.698 -0.692 -0.068) 0.986 12.421 ( -1.801 1.151 0.470) 2.188 12.511 ( -1.197 0.590 -0.265) 1.361 13.053 ( -0.457 2.080 -0.201) 2.139 13.123 ( -1.339 1.227 0.008) 1.816 14.387 ( 0.958 1.885 -1.776) 2.762 14.395 ( 0.507 1.045 1.460) 1.866 15.069 ( 0.447 2.438 1.069) 2.699 15.102 ( -0.184 2.779 -2.148) 3.517 15.754 ( 5.799 1.104 -1.758) 6.160 15.831 ( 4.728 2.487 1.634) 5.586 16.364 ( 3.143 -1.259 3.683) 5.003 16.394 ( 3.739 -0.628 -4.244) 5.690 16.975 ( -0.087 -0.514 1.832) 1.905 17.011 ( 1.420 -3.272 -0.866) 3.671 17.462 ( -4.251 -3.027 -0.256) 5.225 17.575 ( -1.854 0.460 0.439) 1.960 17.738 ( -9.980 3.557 -1.272) 10.671 18.034 ( -1.275 0.467 0.477) 1.439 18.073 ( 0.162 -0.044 0.621) 0.643 18.421 ( -8.170 -1.545 -1.608) 8.469 18.888 ( -3.580 1.983 0.383) 4.110 18.907 ( -2.828 1.243 0.716) 3.172 19.567 ( 5.165 2.670 0.629) 5.848 19.825 ( 7.854 -1.857 -4.901) 9.442 19.907 ( -8.314 -2.095 1.813) 8.763 20.315 ( -2.312 -9.893 3.262) 10.671 21.610 ( -0.613 0.449 0.127) 0.770 21.627 ( -1.155 0.616 0.043) 1.309 ======================= Grid point 217 (96/110) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 11.203 -5.918 -4.950) 13.603 0.765 ( 6.149 3.775 -0.828) 7.263 0.916 ( 2.647 4.053 5.351) 7.216 1.083 ( -3.485 -4.058 1.781) 5.638 1.151 ( 6.835 5.992 0.117) 9.090 1.172 ( -0.122 -4.842 0.817) 4.912 1.334 ( 1.784 -0.601 -1.336) 2.309 1.383 ( -3.414 -3.757 0.542) 5.105 1.422 ( 5.339 2.038 2.036) 6.066 1.542 ( 1.415 -5.159 -1.698) 5.613 1.561 ( 0.008 1.181 -1.084) 1.603 1.663 ( 0.349 -1.280 -0.054) 1.328 1.815 ( 3.674 2.923 2.399) 5.272 1.825 ( 2.463 -0.906 -2.978) 3.969 1.922 ( 4.564 -1.037 1.681) 4.973 1.990 ( -0.166 3.685 -1.005) 3.824 2.017 ( 1.124 2.134 1.189) 2.689 2.049 ( -0.275 -5.509 -0.925) 5.592 2.105 ( 0.390 -0.902 0.228) 1.008 2.150 ( -1.117 -4.072 1.036) 4.348 2.225 ( -3.022 -0.038 2.129) 3.697 2.238 ( -1.457 -0.080 -2.587) 2.971 2.299 ( -3.043 -0.162 -1.918) 3.600 2.332 ( -5.131 -0.344 0.494) 5.167 3.468 ( -0.404 1.221 -0.059) 1.288 3.511 ( -1.140 1.155 0.001) 1.623 3.701 ( 0.646 1.432 0.040) 1.571 3.729 ( 0.048 1.441 0.065) 1.443 4.774 ( -0.229 0.578 0.147) 0.639 4.795 ( -0.377 0.261 -0.180) 0.493 5.200 ( -0.449 -0.449 0.160) 0.655 5.217 ( -0.645 -0.504 -0.174) 0.837 6.686 ( 0.014 0.498 0.146) 0.519 6.736 ( -0.441 0.271 -0.171) 0.545 6.919 ( 0.085 -0.006 -0.131) 0.156 6.940 ( -0.029 -0.413 0.233) 0.475 7.116 ( -0.565 -0.111 0.064) 0.579 7.130 ( -0.910 -0.257 -0.077) 0.949 7.668 ( 0.140 0.350 0.113) 0.393 7.683 ( -0.175 0.374 -0.223) 0.470 8.108 ( -0.651 0.218 0.003) 0.687 8.112 ( -0.622 0.193 0.008) 0.651 8.412 ( 1.067 -0.863 -0.071) 1.374 8.447 ( 0.750 -1.028 0.049) 1.274 8.919 ( 1.728 0.771 0.273) 1.912 8.956 ( 1.168 0.130 -0.097) 1.179 9.618 ( -0.288 0.858 -0.259) 0.941 9.629 ( -0.413 0.697 0.337) 0.878 10.242 ( -2.798 -0.558 2.004) 3.487 10.271 ( -3.158 -2.665 -1.987) 4.585 10.783 ( -0.491 -0.191 -0.292) 0.602 10.809 ( -0.952 -0.414 -0.256) 1.069 10.879 ( -0.193 0.418 0.757) 0.886 10.901 ( -0.573 0.936 -0.503) 1.207 10.943 ( 0.001 -0.613 -0.929) 1.112 10.963 ( -0.945 -0.417 0.563) 1.176 12.400 ( -0.523 1.167 0.687) 1.452 12.483 ( -1.565 0.766 -0.429) 1.795 13.048 ( -0.089 1.738 -0.044) 1.741 13.093 ( -1.572 1.385 -0.020) 2.095 14.402 ( 0.825 1.413 -0.781) 1.813 14.409 ( 0.576 0.820 0.574) 1.155 15.081 ( 0.257 2.787 2.140) 3.523 15.092 ( -0.155 3.456 -2.775) 4.435 15.875 ( 6.761 -0.259 -2.671) 7.275 15.929 ( 4.661 0.860 2.721) 5.466 16.434 ( 2.907 -1.372 4.059) 5.178 16.449 ( 3.022 -0.734 -4.637) 5.584 16.986 ( 0.827 -0.215 1.554) 1.773 17.038 ( 1.463 -2.541 -0.347) 2.952 17.376 ( -4.128 -3.082 -2.073) 5.553 17.512 ( -6.189 -5.733 2.301) 8.745 17.580 ( -4.549 9.633 -0.840) 10.686 17.984 ( -5.161 1.449 0.979) 5.449 18.077 ( 0.079 -0.044 0.807) 0.812 18.218 ( -9.612 1.060 -1.924) 9.860 18.831 ( -2.238 1.212 -0.014) 2.545 18.856 ( -2.519 0.849 0.316) 2.677 19.632 ( 1.201 1.131 0.726) 1.802 19.774 ( -5.495 -0.862 0.261) 5.568 19.999 ( 10.240 -4.506 -4.376) 12.013 20.297 ( -0.385 -8.511 3.558) 9.233 21.595 ( -0.971 0.340 0.059) 1.031 21.602 ( -1.256 0.596 0.045) 1.391 ======================= Grid point 218 (97/110) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 5.302 -4.871 -4.091) 8.281 0.952 ( 2.868 -6.919 3.411) 8.230 0.972 ( 5.302 -1.876 3.479) 6.613 1.069 ( 3.614 -1.345 4.535) 5.953 1.160 ( 0.097 -6.103 0.683) 6.142 1.230 ( -0.041 -1.473 -2.204) 2.651 1.284 ( -3.454 -2.722 -0.102) 4.399 1.371 ( 0.405 -1.733 -2.113) 2.763 1.532 ( 0.395 -1.151 -4.286) 4.456 1.552 ( 1.637 0.589 0.828) 1.927 1.594 ( 6.530 1.628 3.331) 7.509 1.691 ( 2.426 0.379 -0.112) 2.458 1.810 ( -3.086 -1.640 -1.696) 3.885 1.872 ( 0.518 2.119 0.871) 2.349 1.920 ( -2.443 0.722 -3.433) 4.275 1.944 ( -4.721 3.964 -2.361) 6.601 2.035 ( -0.288 -2.703 0.636) 2.791 2.054 ( 1.648 -2.694 1.967) 3.720 2.104 ( -0.017 0.166 1.937) 1.944 2.133 ( 1.844 0.124 0.500) 1.915 2.222 ( -0.791 0.526 1.769) 2.008 2.234 ( 0.815 -0.073 0.590) 1.009 2.255 ( -1.931 -1.558 -1.577) 2.940 2.274 ( -0.584 -1.332 -1.013) 1.772 3.464 ( 0.033 1.093 -0.068) 1.095 3.488 ( -1.148 1.067 0.037) 1.568 3.713 ( 0.587 1.561 -0.001) 1.667 3.728 ( -0.170 1.566 0.042) 1.576 4.774 ( 0.137 0.468 0.131) 0.505 4.787 ( -0.404 0.254 -0.134) 0.496 5.194 ( -0.134 -0.467 0.136) 0.505 5.204 ( -0.563 -0.502 -0.148) 0.769 6.692 ( 0.546 0.078 0.269) 0.614 6.723 ( -0.781 -0.054 -0.284) 0.832 6.923 ( 0.315 -0.112 0.003) 0.335 6.937 ( -0.291 -0.398 0.040) 0.494 7.109 ( -0.248 -0.017 0.098) 0.267 7.115 ( -0.573 -0.086 -0.071) 0.583 7.672 ( 0.264 0.335 0.102) 0.439 7.680 ( -0.103 0.337 -0.166) 0.390 8.098 ( -0.341 0.260 -0.016) 0.429 8.101 ( -0.451 0.244 0.017) 0.513 8.433 ( 1.054 -0.959 -0.060) 1.426 8.455 ( 0.056 -1.063 0.050) 1.065 8.946 ( 1.120 0.803 0.049) 1.379 8.968 ( 0.106 0.466 0.056) 0.481 9.614 ( 0.000 0.888 -0.222) 0.915 9.622 ( -0.382 0.764 0.275) 0.897 10.204 ( -1.712 -0.361 3.391) 3.816 10.218 ( -1.629 -1.440 -3.505) 4.125 10.779 ( 0.018 -0.309 -0.038) 0.312 10.793 ( -0.642 -0.407 -0.262) 0.804 10.879 ( 0.014 0.521 0.522) 0.738 10.890 ( -0.462 0.792 -0.382) 0.993 10.940 ( 0.005 -0.560 -1.019) 1.162 10.948 ( -0.731 -0.353 0.895) 1.208 12.403 ( 0.532 1.180 0.716) 1.480 12.451 ( -1.583 0.992 -0.557) 1.949 13.048 ( 0.078 1.434 0.013) 1.437 13.067 ( -1.056 1.316 -0.031) 1.688 14.414 ( 0.506 0.908 -0.108) 1.045 14.418 ( 0.313 0.698 0.015) 0.766 15.085 ( -0.151 3.459 0.973) 3.597 15.088 ( 0.163 3.472 -1.229) 3.687 15.983 ( 4.835 -0.888 -3.289) 5.915 16.009 ( 2.630 -0.432 3.336) 4.270 16.485 ( 1.721 -0.895 0.135) 1.945 16.489 ( 1.763 -1.603 -0.462) 2.427 17.016 ( 1.931 0.164 0.958) 2.161 17.059 ( 0.624 -0.595 -0.254) 0.899 17.306 ( -2.247 -2.563 -2.892) 4.470 17.378 ( -6.846 -3.222 2.770) 8.057 17.558 ( 1.592 5.028 0.324) 5.284 17.820 ( -10.466 2.518 0.124) 10.765 18.080 ( 0.113 -0.022 1.012) 1.018 18.110 ( -2.060 0.167 -1.670) 2.657 18.801 ( -0.889 0.679 -0.024) 1.119 18.816 ( -1.594 0.565 0.110) 1.695 19.639 ( -0.006 0.693 0.188) 0.719 19.691 ( -3.261 0.048 0.298) 3.275 20.168 ( 7.796 -5.634 -4.239) 10.511 20.300 ( -0.735 -7.098 3.754) 8.063 21.577 ( -0.717 0.264 0.012) 0.764 21.582 ( -0.841 0.286 0.038) 0.889 ======================= Grid point 219 (98/110) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.224 -6.927 -2.281) 7.624 0.906 ( -2.224 -6.927 2.281) 7.624 1.109 ( -4.092 -3.080 -0.717) 5.172 1.109 ( 4.092 -3.080 0.717) 5.172 1.169 ( 0.303 -5.773 -5.129) 7.728 1.169 ( -0.303 -5.773 5.129) 7.728 1.326 ( -4.505 -2.084 -3.796) 6.249 1.326 ( 4.505 -2.084 3.796) 6.249 1.535 ( 0.356 -0.346 -2.434) 2.484 1.535 ( -0.356 -0.346 2.434) 2.484 1.727 ( -0.016 0.118 -1.755) 1.759 1.727 ( 0.016 0.118 1.755) 1.759 1.792 ( -5.944 4.552 -3.405) 8.225 1.792 ( 5.944 4.552 3.405) 8.225 1.891 ( 1.543 -1.007 -2.045) 2.752 1.891 ( -1.543 -1.007 2.045) 2.752 2.046 ( -1.407 -1.376 0.266) 1.985 2.046 ( 1.407 -1.376 -0.266) 1.985 2.150 ( -1.128 2.311 -1.787) 3.131 2.150 ( 1.128 2.311 1.787) 3.131 2.211 ( -0.953 -2.025 -1.501) 2.695 2.211 ( 0.953 -2.025 1.501) 2.695 2.263 ( -0.711 -1.040 -2.370) 2.684 2.263 ( 0.711 -1.040 2.370) 2.684 3.470 ( -0.336 1.042 -0.171) 1.108 3.470 ( 0.336 1.042 0.171) 1.108 3.723 ( -0.103 1.610 -0.256) 1.634 3.723 ( 0.103 1.610 0.256) 1.634 4.779 ( -0.363 0.348 -0.121) 0.518 4.779 ( 0.363 0.348 0.121) 0.518 5.196 ( -0.167 -0.485 -0.242) 0.567 5.196 ( 0.167 -0.485 0.242) 0.567 6.707 ( -0.593 -0.142 -0.579) 0.841 6.707 ( 0.593 -0.142 0.579) 0.841 6.930 ( -0.407 -0.264 -0.053) 0.488 6.930 ( 0.407 -0.264 0.053) 0.488 7.108 ( 0.030 -0.003 -0.569) 0.570 7.108 ( -0.030 -0.003 0.569) 0.570 7.677 ( -0.178 0.320 -0.139) 0.391 7.677 ( 0.178 0.320 0.139) 0.391 8.096 ( 0.001 0.270 -0.080) 0.282 8.096 ( -0.001 0.270 0.080) 0.282 8.450 ( -0.314 -1.038 -0.187) 1.100 8.450 ( 0.314 -1.038 0.187) 1.100 8.963 ( 0.081 0.724 -1.204) 1.407 8.963 ( -0.081 0.724 1.204) 1.407 9.616 ( 0.170 0.848 -0.295) 0.913 9.616 ( -0.170 0.848 0.295) 0.913 10.195 ( 0.388 -0.672 -5.350) 5.406 10.195 ( -0.388 -0.672 5.350) 5.406 10.783 ( -0.356 -0.384 -0.174) 0.552 10.783 ( 0.356 -0.384 0.174) 0.552 10.882 ( -0.119 0.650 -0.706) 0.967 10.882 ( 0.119 0.650 0.706) 0.967 10.941 ( 0.313 -0.435 -1.088) 1.213 10.941 ( -0.313 -0.435 1.088) 1.213 12.422 ( -1.084 1.140 -0.845) 1.786 12.422 ( 1.084 1.140 0.845) 1.786 13.053 ( -0.403 1.290 -0.064) 1.353 13.053 ( 0.403 1.290 0.064) 1.353 14.420 ( 0.131 0.677 -1.200) 1.384 14.420 ( -0.131 0.677 1.200) 1.384 15.086 ( 0.392 3.587 -3.079) 4.743 15.086 ( -0.392 3.587 3.079) 4.743 16.034 ( 1.091 -0.981 -5.642) 5.829 16.034 ( -1.091 -0.981 5.642) 5.829 16.504 ( 0.661 -1.370 -4.550) 4.797 16.504 ( -0.661 -1.370 4.550) 4.797 17.053 ( -1.041 0.366 -0.744) 1.331 17.053 ( 1.041 0.366 0.744) 1.331 17.293 ( 1.582 -2.252 -4.194) 5.016 17.293 ( -1.582 -2.252 4.194) 5.016 17.643 ( -4.362 2.668 -2.874) 5.866 17.643 ( 4.362 2.668 2.874) 5.866 18.087 ( -0.338 0.014 -1.468) 1.507 18.087 ( 0.338 0.014 1.468) 1.507 18.797 ( -0.402 0.482 0.015) 0.628 18.797 ( 0.402 0.482 -0.015) 0.628 19.649 ( -0.678 0.414 -0.377) 0.880 19.649 ( 0.678 0.414 0.377) 0.880 20.269 ( 2.630 -6.162 -5.254) 8.514 20.269 ( -2.630 -6.162 5.254) 8.514 21.572 ( -0.115 0.176 -0.021) 0.211 21.572 ( 0.115 0.176 0.021) 0.211 ======================= Grid point 225 (99/110) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 1.160 10.485 -4.478) 11.460 0.868 ( -1.160 10.485 4.478) 11.460 0.932 ( 1.170 7.528 -7.075) 10.397 0.932 ( -1.170 7.528 7.075) 10.397 1.179 ( -3.347 2.844 -2.436) 5.022 1.179 ( 3.347 2.844 2.436) 5.022 1.285 ( -1.531 -5.194 -1.353) 5.581 1.285 ( 1.531 -5.194 1.353) 5.581 1.427 ( 0.645 -1.104 -1.589) 2.039 1.427 ( -0.645 -1.104 1.589) 2.039 1.500 ( 0.327 -4.483 -3.727) 5.839 1.500 ( -0.327 -4.483 3.727) 5.839 1.669 ( -0.414 1.394 -0.743) 1.633 1.669 ( 0.414 1.394 0.743) 1.633 1.786 ( 2.337 2.470 -2.014) 3.952 1.786 ( -2.337 2.470 2.014) 3.952 1.895 ( -0.736 0.886 -1.009) 1.531 1.895 ( 0.736 0.886 1.009) 1.531 2.144 ( 0.884 0.597 -2.142) 2.393 2.144 ( -0.884 0.597 2.142) 2.393 2.370 ( 0.757 1.370 -4.403) 4.673 2.370 ( -0.757 1.370 4.403) 4.673 2.537 ( 0.457 -6.707 -5.622) 8.764 2.537 ( -0.457 -6.707 5.622) 8.764 3.536 ( -0.603 1.032 -0.003) 1.195 3.536 ( 0.603 1.032 0.003) 1.195 3.721 ( -0.214 0.827 -0.403) 0.945 3.721 ( 0.214 0.827 0.403) 0.945 4.815 ( -0.200 0.518 -0.022) 0.556 4.815 ( 0.200 0.518 0.022) 0.556 5.223 ( 0.028 -0.299 -0.407) 0.506 5.223 ( -0.028 -0.299 0.407) 0.506 6.742 ( -0.228 0.752 -0.194) 0.809 6.742 ( 0.228 0.752 0.194) 0.809 6.932 ( -0.134 0.292 -0.447) 0.550 6.932 ( 0.134 0.292 0.447) 0.550 7.146 ( -0.038 -0.735 -0.153) 0.751 7.146 ( 0.038 -0.735 0.153) 0.751 7.692 ( 0.098 -0.102 -0.156) 0.210 7.692 ( -0.098 -0.102 0.156) 0.210 8.137 ( -0.006 0.065 -0.046) 0.080 8.137 ( 0.006 0.065 0.046) 0.080 8.378 ( -0.167 -0.453 -0.245) 0.542 8.378 ( 0.167 -0.453 0.245) 0.542 8.850 ( -0.482 0.822 -0.003) 0.953 8.850 ( 0.482 0.822 0.003) 0.953 9.654 ( -0.079 0.499 -0.227) 0.554 9.654 ( 0.079 0.499 0.227) 0.554 10.336 ( 0.305 -2.242 -5.484) 5.932 10.336 ( -0.305 -2.242 5.484) 5.932 10.823 ( -0.009 -0.868 -0.786) 1.171 10.823 ( 0.009 -0.868 0.786) 1.171 10.921 ( -0.344 0.435 -0.073) 0.559 10.921 ( 0.344 0.435 0.073) 0.559 10.960 ( 0.619 -0.640 -0.569) 1.057 10.960 ( -0.619 -0.640 0.569) 1.057 12.523 ( -1.070 0.447 0.012) 1.160 12.523 ( 1.070 0.447 -0.012) 1.160 13.128 ( -0.328 0.567 -1.163) 1.335 13.128 ( 0.328 0.567 1.163) 1.335 14.406 ( 0.177 1.238 -1.554) 1.995 14.406 ( -0.177 1.238 1.554) 1.995 15.104 ( -0.016 0.419 -0.906) 0.998 15.104 ( 0.016 0.419 0.906) 0.998 15.767 ( -0.440 3.750 -1.345) 4.009 15.767 ( 0.440 3.750 1.345) 4.009 16.273 ( 0.482 -0.898 -1.606) 1.902 16.273 ( -0.482 -0.898 1.606) 1.902 16.986 ( 0.254 1.296 -2.878) 3.166 16.986 ( -0.254 1.296 2.878) 3.166 17.504 ( 0.908 -4.803 -8.537) 9.838 17.504 ( -0.908 -4.803 8.537) 9.838 18.062 ( 0.398 0.322 -1.084) 1.199 18.062 ( -0.398 0.322 1.084) 1.199 18.169 ( -6.666 -1.464 0.038) 6.825 18.169 ( 6.666 -1.464 -0.038) 6.825 19.000 ( -0.066 1.126 -0.624) 1.289 19.000 ( 0.066 1.126 0.624) 1.289 19.662 ( -1.567 2.145 -1.586) 3.094 19.662 ( 1.567 2.145 1.586) 3.094 20.164 ( -3.404 -3.453 -3.159) 5.787 20.164 ( 3.404 -3.453 3.159) 5.787 21.635 ( 0.288 0.077 -0.190) 0.354 21.635 ( -0.288 0.077 0.190) 0.354 ======================= Grid point 227 (100/110) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -6.165 14.638 -0.373) 15.888 0.861 ( 0.236 6.159 -9.338) 11.188 0.970 ( 2.422 6.440 9.759) 11.941 1.053 ( 5.693 12.486 -3.239) 14.099 1.099 ( -1.867 -1.235 -0.794) 2.375 1.206 ( -3.377 -5.615 2.146) 6.894 1.270 ( 3.101 2.688 0.450) 4.129 1.314 ( -0.890 -5.249 3.619) 6.437 1.389 ( -0.860 -4.749 -5.474) 7.298 1.429 ( 0.511 2.643 -2.229) 3.495 1.519 ( 1.016 -4.573 -0.400) 4.701 1.573 ( 5.370 -5.342 2.758) 8.061 1.667 ( -0.018 1.228 -0.245) 1.252 1.703 ( 3.013 -0.995 -0.056) 3.174 1.766 ( 1.173 5.387 6.099) 8.221 1.859 ( 3.520 -2.732 -0.845) 4.535 1.886 ( 0.747 -0.300 -2.622) 2.743 1.924 ( 2.446 3.453 0.773) 4.301 2.139 ( -0.164 0.943 1.242) 1.568 2.157 ( 0.588 1.772 -1.715) 2.535 2.348 ( -2.633 1.443 3.945) 4.958 2.356 ( -1.307 -0.051 -3.548) 3.782 2.484 ( -4.265 -5.515 -4.844) 8.489 2.499 ( -4.280 -5.272 3.914) 7.838 3.523 ( -0.722 1.462 0.004) 1.630 3.546 ( 0.239 0.521 -0.038) 0.575 3.714 ( -0.093 1.202 0.007) 1.205 3.732 ( 0.585 0.485 0.133) 0.772 4.806 ( -0.587 0.697 0.051) 0.913 4.816 ( -0.228 0.255 -0.088) 0.353 5.216 ( -0.507 -0.132 0.041) 0.526 5.224 ( -0.146 -0.472 -0.056) 0.497 6.729 ( -0.804 1.123 0.010) 1.381 6.749 ( 0.120 0.317 -0.070) 0.346 6.927 ( -0.259 0.284 -0.343) 0.515 6.934 ( -0.056 0.068 0.367) 0.377 7.137 ( -0.582 -0.404 0.038) 0.709 7.146 ( -0.276 -0.848 -0.102) 0.898 7.683 ( -0.511 0.256 0.175) 0.597 7.694 ( -0.077 -0.269 -0.120) 0.304 8.134 ( -0.328 0.082 -0.037) 0.340 8.134 ( -0.333 0.072 0.039) 0.343 8.377 ( 0.236 -0.213 -0.044) 0.321 8.390 ( 0.835 -0.745 0.086) 1.123 8.860 ( 1.415 1.027 0.072) 1.750 8.876 ( 2.040 0.167 -0.205) 2.057 9.649 ( -0.372 0.578 -0.246) 0.730 9.653 ( -0.245 0.412 0.205) 0.522 10.314 ( -1.233 -1.609 -4.677) 5.097 10.326 ( -2.005 -2.330 4.790) 5.692 10.811 ( -0.753 -0.408 0.078) 0.860 10.827 ( -0.178 -1.111 -0.011) 1.125 10.904 ( -0.891 0.856 0.594) 1.371 10.931 ( 0.225 -0.185 0.085) 0.304 10.948 ( -0.724 0.113 -0.056) 0.735 10.967 ( 0.173 -0.939 -0.722) 1.197 12.489 ( -2.154 1.335 0.079) 2.535 12.528 ( -0.481 -0.363 -0.084) 0.608 13.107 ( -0.912 1.566 -0.167) 1.820 13.142 ( 0.204 -0.140 0.125) 0.278 14.409 ( 0.229 1.133 0.443) 1.238 14.410 ( 0.387 1.237 -0.679) 1.464 15.097 ( 0.136 1.140 -0.058) 1.149 15.120 ( 0.938 0.055 -0.691) 1.167 15.757 ( 0.922 4.362 -0.290) 4.468 15.813 ( 2.850 2.498 0.197) 3.795 16.288 ( 1.918 -0.656 1.111) 2.312 16.311 ( 3.140 -1.259 -1.149) 3.573 16.977 ( -0.396 0.855 -0.820) 1.249 16.986 ( -0.315 0.902 0.438) 1.050 17.462 ( -2.845 -3.678 0.229) 4.656 17.515 ( -0.678 -5.882 0.908) 5.990 18.028 ( -6.229 4.780 1.061) 7.923 18.057 ( -0.975 0.629 0.182) 1.174 18.070 ( 0.395 0.851 -0.893) 1.295 18.302 ( 5.108 -7.520 -1.741) 9.256 18.974 ( -2.314 1.111 0.226) 2.577 18.982 ( -2.270 0.852 0.968) 2.610 19.634 ( -0.133 5.094 -0.797) 5.157 19.717 ( 3.339 -0.254 0.212) 3.355 20.042 ( -7.709 -0.178 -1.906) 7.943 20.179 ( -2.161 -6.781 2.717) 7.618 21.628 ( -0.360 0.407 0.146) 0.562 21.641 ( 0.020 -0.164 -0.142) 0.218 ======================= Grid point 228 (101/110) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -2.100 11.278 -2.262) 11.693 0.851 ( 0.457 7.324 -6.421) 9.751 0.966 ( -2.885 3.907 2.656) 5.535 1.074 ( -2.302 -5.024 3.577) 6.583 1.159 ( 2.805 5.365 0.629) 6.087 1.189 ( 2.751 2.218 0.252) 3.543 1.290 ( -0.011 0.443 -0.814) 0.927 1.314 ( -0.345 -4.632 1.892) 5.015 1.375 ( 1.720 -3.674 -1.764) 4.424 1.452 ( 0.832 2.553 0.455) 2.723 1.527 ( 0.582 -4.083 -1.559) 4.409 1.653 ( 0.816 -0.229 0.958) 1.279 1.708 ( 6.020 -4.429 1.339) 7.593 1.765 ( 3.367 -2.202 -1.743) 4.384 1.838 ( 3.554 5.946 4.712) 8.378 1.916 ( 2.904 -3.114 -3.009) 5.214 1.924 ( 3.930 -4.518 -2.372) 6.441 1.989 ( 3.140 1.843 4.484) 5.776 2.133 ( -0.891 3.246 -0.137) 3.369 2.151 ( -0.902 1.861 -0.979) 2.288 2.286 ( -4.610 -1.072 3.460) 5.863 2.304 ( -3.265 -1.613 -2.964) 4.695 2.380 ( -4.401 -1.015 -3.913) 5.976 2.415 ( -4.741 -1.978 2.266) 5.615 3.509 ( -0.754 1.603 -0.026) 1.772 3.543 ( -0.589 0.221 -0.036) 0.630 3.718 ( 0.442 1.382 0.050) 1.451 3.742 ( 0.465 0.397 0.131) 0.625 4.795 ( -0.577 0.678 0.094) 0.895 4.808 ( -0.506 0.092 -0.148) 0.535 5.205 ( -0.593 -0.054 0.043) 0.597 5.217 ( -0.493 -0.565 -0.067) 0.753 6.713 ( -0.793 1.249 0.008) 1.480 6.746 ( -0.358 -0.115 -0.093) 0.388 6.922 ( -0.175 0.175 -0.248) 0.350 6.933 ( -0.115 -0.264 0.314) 0.426 7.126 ( -0.599 -0.130 0.050) 0.615 7.136 ( -0.645 -0.667 -0.120) 0.936 7.676 ( -0.196 0.445 0.147) 0.508 7.690 ( -0.237 -0.159 -0.102) 0.303 8.125 ( -0.605 0.139 0.004) 0.620 8.126 ( -0.528 0.085 0.002) 0.535 8.387 ( 0.717 -0.058 -0.025) 0.720 8.408 ( 1.017 -0.999 0.080) 1.428 8.896 ( 2.063 0.840 0.190) 2.236 8.918 ( 2.175 -0.329 -0.306) 2.221 9.640 ( -0.416 0.632 -0.253) 0.797 9.647 ( -0.382 0.355 0.192) 0.555 10.273 ( -1.859 -0.960 -3.696) 4.247 10.287 ( -2.970 -1.723 3.813) 5.132 10.796 ( -0.767 -0.022 0.008) 0.767 10.816 ( -0.786 -0.872 -0.116) 1.179 10.893 ( -0.483 0.848 0.920) 1.341 10.932 ( -0.212 -0.420 0.152) 0.494 10.933 ( -0.616 0.476 -0.614) 0.991 10.963 ( -0.383 -0.895 -0.520) 1.104 12.451 ( -1.650 1.810 0.216) 2.459 12.510 ( -1.182 -0.724 -0.165) 1.396 13.093 ( -0.611 1.887 -0.070) 1.985 13.134 ( -0.972 -0.041 0.065) 0.975 14.415 ( 0.239 0.986 1.044) 1.456 14.418 ( 0.695 1.091 -1.258) 1.804 15.108 ( 0.854 1.555 0.328) 1.804 15.133 ( 0.642 0.517 -1.389) 1.615 15.804 ( 4.020 3.608 -0.819) 5.463 15.875 ( 3.501 1.456 1.129) 3.956 16.343 ( 3.228 -0.617 1.379) 3.564 16.375 ( 3.566 -1.357 -1.818) 4.226 16.974 ( 0.236 0.173 0.165) 0.336 16.983 ( 0.307 -0.005 -0.446) 0.541 17.397 ( -3.794 -2.663 0.109) 4.637 17.478 ( -3.406 -6.314 1.537) 7.337 17.905 ( -6.631 9.755 -0.221) 11.798 18.041 ( -1.215 0.251 0.954) 1.565 18.075 ( 0.212 0.479 -0.229) 0.571 18.312 ( -4.032 -8.369 -2.153) 9.536 18.917 ( -3.535 1.056 0.350) 3.706 18.926 ( -3.319 0.625 0.875) 3.488 19.658 ( 2.101 5.436 -0.068) 5.828 19.787 ( 3.690 -2.058 -2.666) 4.996 19.903 ( -5.163 1.860 1.027) 5.584 20.133 ( -2.014 -8.688 1.793) 9.097 21.619 ( -0.678 0.461 0.067) 0.823 21.632 ( -0.935 -0.051 -0.046) 0.937 ======================= Grid point 229 (102/110) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 3.429 3.166 -2.884) 5.486 0.852 ( 0.862 4.229 0.684) 4.370 0.919 ( -3.003 -3.045 -0.403) 4.296 1.026 ( -1.314 -4.135 3.731) 5.722 1.157 ( -3.015 4.549 3.940) 6.731 1.221 ( 0.148 -0.088 -4.250) 4.253 1.293 ( -2.594 -4.817 1.166) 5.594 1.316 ( 2.600 0.864 -3.359) 4.335 1.438 ( 2.477 -4.774 1.749) 5.656 1.492 ( 5.507 3.262 0.576) 6.426 1.538 ( 1.274 -0.354 1.248) 1.818 1.682 ( 2.005 2.464 -1.472) 3.501 1.800 ( 1.274 -1.542 -3.726) 4.229 1.838 ( 5.801 -6.665 1.821) 9.021 1.895 ( 1.168 3.086 1.494) 3.622 1.949 ( 0.470 -2.980 -4.091) 5.083 1.979 ( 0.931 -5.623 2.213) 6.114 2.056 ( 2.510 -0.566 4.199) 4.924 2.104 ( -2.040 4.546 -0.621) 5.022 2.132 ( 0.341 2.286 -0.068) 2.313 2.219 ( -1.792 -1.113 1.558) 2.622 2.238 ( -2.245 -0.883 -2.453) 3.440 2.310 ( -2.758 1.083 -1.402) 3.277 2.333 ( -4.162 0.051 0.568) 4.201 3.495 ( -0.649 1.426 -0.039) 1.567 3.525 ( -1.152 0.208 -0.014) 1.171 3.730 ( 0.701 1.376 0.016) 1.544 3.750 ( 0.269 0.576 0.098) 0.643 4.786 ( -0.341 0.582 0.119) 0.685 4.798 ( -0.432 0.025 -0.147) 0.457 5.194 ( -0.483 -0.080 0.039) 0.491 5.206 ( -0.632 -0.554 -0.072) 0.844 6.701 ( -0.453 0.975 0.054) 1.077 6.735 ( -0.754 -0.423 -0.132) 0.874 6.920 ( -0.006 0.088 -0.108) 0.139 6.931 ( -0.112 -0.463 0.200) 0.517 7.115 ( -0.461 -0.001 0.059) 0.464 7.123 ( -0.643 -0.383 -0.095) 0.755 7.676 ( 0.102 0.430 0.110) 0.455 7.687 ( -0.125 -0.010 -0.089) 0.154 8.113 ( -0.595 0.204 -0.003) 0.629 8.115 ( -0.574 0.105 0.012) 0.584 8.403 ( 0.957 -0.068 -0.019) 0.959 8.426 ( 0.750 -1.064 0.062) 1.303 8.933 ( 1.659 0.663 0.120) 1.791 8.953 ( 1.404 -0.369 -0.179) 1.463 9.633 ( -0.249 0.667 -0.218) 0.744 9.640 ( -0.343 0.363 0.159) 0.524 10.230 ( -1.733 -0.516 -2.627) 3.189 10.238 ( -2.721 -0.944 2.694) 3.944 10.783 ( -0.507 0.141 -0.092) 0.534 10.800 ( -0.793 -0.543 -0.129) 0.970 10.888 ( -0.212 0.737 0.900) 1.182 10.918 ( -0.697 0.854 -0.549) 1.231 10.929 ( -0.130 -0.866 -0.162) 0.890 10.952 ( -0.688 -0.777 -0.190) 1.055 12.430 ( -0.581 1.790 0.318) 1.908 12.486 ( -1.240 -0.542 -0.233) 1.374 13.082 ( -0.499 1.593 -0.003) 1.669 13.110 ( -1.379 0.339 0.027) 1.420 14.423 ( 0.268 0.857 0.867) 1.249 14.428 ( 0.553 0.833 -0.948) 1.378 15.126 ( 0.729 1.751 1.023) 2.155 15.139 ( 0.436 1.340 -1.940) 2.398 15.895 ( 5.329 2.166 -1.510) 5.947 15.948 ( 3.506 0.689 2.090) 4.139 16.409 ( 3.011 -0.841 1.622) 3.522 16.431 ( 2.706 -1.190 -2.374) 3.791 16.988 ( 1.188 0.337 0.952) 1.559 17.004 ( 1.994 -0.952 -0.655) 2.305 17.322 ( -3.723 -1.897 -0.680) 4.234 17.398 ( -5.076 -5.432 2.037) 7.709 17.773 ( -6.713 9.685 -0.392) 11.790 17.994 ( -5.214 -0.585 1.443) 5.441 18.077 ( 0.097 0.222 0.213) 0.323 18.178 ( -6.881 -4.527 -2.547) 8.621 18.854 ( -2.802 0.976 0.201) 2.974 18.868 ( -2.807 0.316 0.331) 2.844 19.676 ( -0.489 3.050 0.384) 3.112 19.759 ( -3.970 -0.882 -1.366) 4.290 19.950 ( 7.352 -0.145 -0.507) 7.371 20.133 ( 1.484 -8.018 1.516) 8.294 21.602 ( -1.104 0.314 0.030) 1.148 21.608 ( -1.341 0.083 -0.000) 1.344 ======================= Grid point 230 (103/110) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 4.116 -2.012 -2.544) 5.241 0.854 ( -2.976 -3.973 -0.071) 4.965 0.900 ( 3.415 -3.233 3.431) 5.821 1.021 ( -1.650 -7.043 2.420) 7.628 1.112 ( -1.445 3.364 3.287) 4.920 1.218 ( -4.172 -1.771 -1.149) 4.676 1.230 ( 2.276 0.250 -0.250) 2.304 1.346 ( 0.803 -0.613 -3.425) 3.571 1.473 ( 1.709 -3.655 -2.022) 4.513 1.527 ( -0.813 -3.004 2.084) 3.746 1.666 ( 6.560 3.689 0.274) 7.531 1.713 ( 2.090 1.846 -1.241) 3.052 1.779 ( -1.044 -0.685 -0.916) 1.549 1.872 ( -1.508 -1.674 -3.285) 3.983 1.909 ( -2.244 -2.042 1.023) 3.202 1.958 ( 3.762 -5.096 3.365) 7.173 2.003 ( 0.836 2.010 2.449) 3.277 2.044 ( -2.523 3.439 -4.308) 6.063 2.113 ( 1.966 -0.469 3.063) 3.670 2.161 ( 1.369 2.480 0.685) 2.914 2.203 ( -0.921 -2.303 -1.898) 3.123 2.221 ( -0.055 -0.335 1.561) 1.597 2.257 ( -2.155 0.778 -1.170) 2.572 2.269 ( -1.780 0.147 -0.279) 1.808 3.486 ( -0.229 1.065 -0.036) 1.090 3.503 ( -1.052 0.383 0.009) 1.119 3.742 ( 0.583 1.288 -0.027) 1.414 3.753 ( 0.032 0.871 0.064) 0.874 4.783 ( -0.010 0.440 0.122) 0.457 4.791 ( -0.315 0.083 -0.124) 0.348 5.188 ( -0.196 -0.182 0.039) 0.270 5.195 ( -0.504 -0.460 -0.066) 0.686 6.697 ( 0.068 0.427 0.109) 0.446 6.719 ( -0.848 -0.444 -0.157) 0.970 6.921 ( 0.163 -0.039 -0.004) 0.168 6.929 ( -0.181 -0.424 0.072) 0.466 7.109 ( -0.221 0.025 0.053) 0.228 7.112 ( -0.402 -0.154 -0.062) 0.435 7.679 ( 0.196 0.329 0.083) 0.392 7.685 ( -0.077 0.102 -0.075) 0.148 8.103 ( -0.329 0.229 -0.009) 0.400 8.105 ( -0.400 0.149 0.017) 0.428 8.421 ( 0.850 -0.272 -0.025) 0.893 8.436 ( 0.191 -0.905 0.048) 0.926 8.959 ( 0.996 0.492 0.023) 1.111 8.970 ( 0.474 -0.103 -0.046) 0.488 9.630 ( -0.023 0.661 -0.166) 0.682 9.635 ( -0.257 0.453 0.129) 0.537 10.198 ( -1.016 -0.253 -1.615) 1.924 10.200 ( -1.606 -0.428 1.642) 2.336 10.777 ( -0.092 0.077 -0.068) 0.138 10.787 ( -0.555 -0.306 -0.097) 0.641 10.889 ( 0.046 0.692 0.738) 1.013 10.904 ( -0.582 0.762 -0.524) 1.093 10.927 ( 0.010 -0.826 -0.285) 0.874 10.938 ( -0.616 -0.718 0.094) 0.951 12.429 ( 0.309 1.411 0.338) 1.484 12.462 ( -1.142 0.040 -0.284) 1.177 13.074 ( -0.252 1.158 0.019) 1.185 13.086 ( -0.982 0.621 -0.001) 1.162 14.429 ( 0.205 0.718 0.786) 1.084 14.434 ( 0.237 0.655 -0.795) 1.057 15.138 ( 0.214 1.949 1.587) 2.523 15.142 ( 0.367 1.871 -2.084) 2.824 15.985 ( 4.026 0.949 -2.180) 4.675 16.010 ( 2.036 0.247 2.573) 3.290 16.459 ( 1.582 -1.181 2.095) 2.879 16.466 ( 1.546 -1.140 -2.665) 3.285 17.024 ( 2.208 0.664 1.021) 2.522 17.047 ( 2.116 -0.566 -0.286) 2.209 17.262 ( -2.007 -1.609 -1.571) 3.014 17.306 ( -4.623 -3.575 2.037) 6.189 17.671 ( -3.032 5.997 -0.160) 6.722 17.833 ( -9.868 -1.211 0.317) 9.948 18.080 ( 0.111 0.043 0.549) 0.562 18.101 ( -1.380 -0.937 -1.500) 2.244 18.815 ( -1.274 0.627 0.092) 1.423 18.824 ( -1.691 0.218 0.072) 1.707 19.659 ( -0.816 1.303 0.175) 1.548 19.691 ( -2.693 -0.110 -0.281) 2.710 20.087 ( 6.269 -2.266 -1.401) 6.812 20.170 ( 1.218 -5.873 1.521) 6.187 21.581 ( -0.849 0.174 0.010) 0.867 21.585 ( -0.988 0.034 0.010) 0.989 ======================= Grid point 231 (104/110) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.355 -2.811 -1.083) 3.824 0.807 ( -2.355 -2.811 1.083) 3.824 0.973 ( -1.763 -7.945 -2.168) 8.422 0.973 ( 1.763 -7.945 2.168) 8.422 1.134 ( -1.987 -0.194 -4.338) 4.776 1.134 ( 1.987 -0.194 4.338) 4.776 1.310 ( -3.177 0.865 -4.130) 5.282 1.310 ( 3.177 0.865 4.130) 5.282 1.502 ( 1.769 -3.173 -3.662) 5.158 1.502 ( -1.769 -3.173 3.662) 5.158 1.706 ( 0.896 -1.367 -2.104) 2.664 1.706 ( -0.896 -1.367 2.104) 2.664 1.853 ( -1.207 -0.372 -0.168) 1.274 1.853 ( 1.207 -0.372 0.168) 1.274 1.907 ( -5.019 4.343 -4.578) 8.063 1.907 ( 5.019 4.343 4.578) 8.063 2.032 ( -0.476 -0.328 -2.670) 2.732 2.032 ( 0.476 -0.328 2.670) 2.732 2.155 ( -1.975 -1.528 -2.182) 3.316 2.155 ( 1.975 -1.528 2.182) 3.316 2.196 ( -1.908 0.182 -0.331) 1.945 2.196 ( 1.908 0.182 0.331) 1.945 2.253 ( 0.245 0.107 -1.539) 1.563 2.253 ( -0.245 0.107 1.539) 1.563 3.488 ( -0.278 0.685 -0.104) 0.747 3.488 ( 0.278 0.685 0.104) 0.747 3.751 ( -0.022 1.126 -0.231) 1.150 3.751 ( 0.022 1.126 0.231) 1.150 4.785 ( -0.206 0.251 -0.118) 0.346 4.785 ( 0.206 0.251 0.118) 0.346 5.188 ( -0.139 -0.322 -0.092) 0.363 5.188 ( 0.139 -0.322 0.092) 0.363 6.704 ( -0.402 -0.124 -0.318) 0.528 6.704 ( 0.402 -0.124 0.318) 0.528 6.925 ( -0.217 -0.236 -0.014) 0.321 6.925 ( 0.217 -0.236 0.014) 0.321 7.108 ( 0.024 -0.023 -0.351) 0.353 7.108 ( -0.024 -0.023 0.351) 0.353 7.683 ( -0.132 0.211 -0.083) 0.262 7.683 ( 0.132 0.211 0.083) 0.262 8.101 ( 0.003 0.202 -0.057) 0.210 8.101 ( -0.003 0.202 0.057) 0.210 8.433 ( -0.248 -0.597 -0.084) 0.652 8.433 ( 0.248 -0.597 0.084) 0.652 8.972 ( 0.025 0.230 -0.617) 0.659 8.972 ( -0.025 0.230 0.617) 0.659 9.631 ( 0.092 0.579 -0.184) 0.615 9.631 ( -0.092 0.579 0.184) 0.615 10.186 ( 0.357 -0.210 -2.759) 2.790 10.186 ( -0.357 -0.210 2.759) 2.790 10.779 ( -0.212 -0.101 -0.066) 0.244 10.779 ( 0.212 -0.101 0.066) 0.244 10.894 ( -0.334 0.700 -0.602) 0.982 10.894 ( 0.334 0.700 0.602) 0.982 10.930 ( 0.307 -0.744 -0.259) 0.845 10.930 ( -0.307 -0.744 0.259) 0.845 12.441 ( -0.765 0.773 -0.432) 1.170 12.441 ( 0.765 0.773 0.432) 1.170 13.074 ( -0.239 0.840 -0.056) 0.876 13.074 ( 0.239 0.840 0.056) 0.876 14.434 ( -0.036 0.626 -0.780) 1.001 14.434 ( 0.036 0.626 0.780) 1.001 15.143 ( 0.128 2.033 -1.789) 2.711 15.143 ( -0.128 2.033 1.789) 2.711 16.028 ( 0.889 0.299 -3.021) 3.163 16.028 ( -0.889 0.299 3.021) 3.163 16.477 ( 0.300 -1.257 -3.355) 3.595 16.477 ( -0.300 -1.257 3.355) 3.595 17.062 ( -0.723 0.510 -0.894) 1.258 17.062 ( 0.723 0.510 0.894) 1.258 17.249 ( 1.082 -2.058 -2.210) 3.208 17.249 ( -1.082 -2.058 2.210) 3.208 17.684 ( -3.256 1.411 -1.124) 3.722 17.684 ( 3.256 1.411 1.124) 3.722 18.085 ( -0.309 -0.190 -0.886) 0.958 18.085 ( 0.309 -0.190 0.886) 0.958 18.805 ( -0.256 0.337 -0.054) 0.427 18.805 ( 0.256 0.337 0.054) 0.427 19.658 ( -0.637 0.434 -0.241) 0.808 19.658 ( 0.637 0.434 0.241) 0.808 20.167 ( 1.069 -3.956 -2.355) 4.726 20.167 ( -1.069 -3.956 2.355) 4.726 21.574 ( -0.112 0.049 -0.002) 0.122 21.574 ( 0.112 0.049 0.002) 0.122 ======================= Grid point 237 (105/110) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.000 0.000 0.000) 0.000 0.948 ( -0.000 0.000 0.000) 0.000 1.109 ( -0.000 -0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 -0.000 0.000) 0.000 1.146 ( -0.000 0.000 0.000) 0.000 1.289 ( 0.000 -0.000 0.000) 0.000 1.289 ( 0.000 0.000 -0.000) 0.000 1.302 ( -0.000 -0.000 -0.000) 0.000 1.302 ( -0.000 0.000 0.000) 0.000 1.489 ( -0.000 0.000 -0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.699 ( -0.000 -0.000 0.000) 0.000 1.699 ( 0.000 0.000 -0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.766 ( -0.000 0.000 0.000) 0.000 1.954 ( -0.000 0.000 0.000) 0.000 1.954 ( -0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 -0.000) 0.000 2.147 ( -0.000 0.000 0.000) 0.000 2.405 ( -0.000 -0.000 0.000) 0.000 2.405 ( -0.000 -0.000 0.000) 0.000 2.438 ( 0.000 0.000 -0.000) 0.000 2.438 ( -0.000 0.000 -0.000) 0.000 3.547 ( -0.000 0.000 0.000) 0.000 3.547 ( -0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.729 ( -0.000 0.000 0.000) 0.000 4.821 ( -0.000 0.000 0.000) 0.000 4.821 ( -0.000 0.000 0.000) 0.000 5.220 ( -0.000 0.000 0.000) 0.000 5.220 ( -0.000 0.000 0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 6.936 ( -0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.138 ( -0.000 0.000 0.000) 0.000 7.138 ( -0.000 0.000 0.000) 0.000 7.691 ( -0.000 0.000 0.000) 0.000 7.691 ( -0.000 0.000 0.000) 0.000 8.138 ( -0.000 0.000 0.000) 0.000 8.138 ( -0.000 0.000 0.000) 0.000 8.374 ( -0.000 0.000 0.000) 0.000 8.374 ( -0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.858 ( -0.000 0.000 0.000) 0.000 9.659 ( 0.000 0.000 0.000) 0.000 9.659 ( -0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 -0.000) 0.000 10.315 ( -0.000 0.000 0.000) 0.000 10.814 ( -0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 10.927 ( -0.000 0.000 0.000) 0.000 10.953 ( -0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 12.527 ( -0.000 0.000 0.000) 0.000 13.133 ( -0.000 0.000 0.000) 0.000 13.133 ( -0.000 0.000 0.000) 0.000 14.419 ( -0.000 0.000 0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 15.107 ( -0.000 0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.807 ( -0.000 0.000 0.000) 0.000 15.807 ( -0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 -0.000) 0.000 16.263 ( -0.000 0.000 0.000) 0.000 17.004 ( -0.000 0.000 0.000) 0.000 17.004 ( 0.000 0.000 0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 18.066 ( -0.000 0.000 0.000) 0.000 18.066 ( 0.000 0.000 0.000) 0.000 18.156 ( -0.000 0.000 -0.000) 0.000 18.156 ( 0.000 0.000 0.000) 0.000 19.011 ( -0.000 0.000 0.000) 0.000 19.011 ( 0.000 0.000 0.000) 0.000 19.679 ( -0.000 0.000 0.000) 0.000 19.679 ( -0.000 0.000 0.000) 0.000 20.134 ( -0.000 0.000 0.000) 0.000 20.134 ( 0.000 0.000 0.000) 0.000 21.636 ( -0.000 0.000 0.000) 0.000 21.636 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 241 (106/110) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -0.181 -3.744 -0.749) 3.822 0.960 ( -0.181 3.744 -0.749) 3.822 1.036 ( -3.832 -9.416 1.098) 10.225 1.036 ( -3.832 9.416 1.098) 10.225 1.173 ( -1.015 -6.568 4.418) 7.981 1.173 ( -1.015 6.568 4.418) 7.981 1.277 ( 1.531 -6.682 -4.661) 8.290 1.277 ( 1.531 6.682 -4.661) 8.290 1.350 ( 3.583 -8.226 -2.822) 9.406 1.350 ( 3.583 8.226 -2.822) 9.406 1.508 ( 1.895 -2.854 0.724) 3.501 1.508 ( 1.895 2.854 0.724) 3.501 1.693 ( -0.133 -1.781 0.267) 1.806 1.693 ( -0.133 1.781 0.267) 1.806 1.803 ( 3.177 -2.071 0.804) 3.877 1.803 ( 3.177 2.071 0.804) 3.877 1.947 ( -0.491 -2.929 2.173) 3.680 1.947 ( -0.491 2.929 2.173) 3.680 2.171 ( 1.905 -1.282 -0.578) 2.368 2.171 ( 1.905 1.282 -0.578) 2.368 2.358 ( -4.335 -0.720 -0.938) 4.493 2.358 ( -4.335 0.720 -0.938) 4.493 2.424 ( -1.476 -1.269 0.241) 1.962 2.424 ( -1.476 1.269 0.241) 1.962 3.544 ( -0.278 -0.646 -0.016) 0.704 3.544 ( -0.278 0.646 -0.016) 0.704 3.732 ( 0.256 -0.491 0.076) 0.559 3.732 ( 0.256 0.491 0.076) 0.559 4.816 ( -0.446 -0.262 -0.018) 0.517 4.816 ( -0.446 0.262 -0.018) 0.517 5.217 ( -0.328 -0.235 -0.003) 0.404 5.217 ( -0.328 0.235 -0.003) 0.404 6.746 ( -0.384 -0.550 -0.028) 0.671 6.746 ( -0.384 0.550 -0.028) 0.671 6.933 ( -0.277 -0.233 -0.019) 0.363 6.933 ( -0.277 0.233 -0.019) 0.363 7.134 ( -0.316 -0.215 -0.019) 0.382 7.134 ( -0.316 0.215 -0.019) 0.382 7.688 ( -0.215 -0.327 0.039) 0.394 7.688 ( -0.215 0.327 0.039) 0.394 8.135 ( -0.317 -0.004 -0.008) 0.317 8.135 ( -0.317 0.004 -0.008) 0.317 8.379 ( 0.511 -0.355 0.032) 0.623 8.379 ( 0.511 0.355 0.032) 0.623 8.874 ( 1.536 -0.408 -0.061) 1.590 8.874 ( 1.536 0.408 -0.061) 1.590 9.656 ( -0.312 -0.114 -0.024) 0.333 9.656 ( -0.312 0.114 -0.024) 0.333 10.301 ( -1.355 -0.309 -0.036) 1.390 10.301 ( -1.355 0.309 -0.036) 1.390 10.811 ( -0.364 -0.451 0.085) 0.586 10.811 ( -0.364 0.451 0.085) 0.586 10.921 ( -0.495 -0.818 0.438) 1.051 10.921 ( -0.495 0.818 0.438) 1.051 10.953 ( -0.028 -0.478 -0.435) 0.647 10.953 ( -0.028 0.478 -0.435) 0.647 12.513 ( -1.285 -1.074 -0.019) 1.675 12.513 ( -1.285 1.074 -0.019) 1.675 13.131 ( -0.233 -0.922 0.005) 0.952 13.131 ( -0.233 0.922 0.005) 0.952 14.421 ( 0.254 -0.058 -0.103) 0.280 14.421 ( 0.254 0.058 -0.103) 0.280 15.113 ( 0.695 -0.638 -0.300) 0.990 15.113 ( 0.695 0.638 -0.300) 0.990 15.822 ( 1.551 -1.733 -0.007) 2.326 15.822 ( 1.551 1.733 -0.007) 2.326 16.289 ( 2.493 -0.769 0.132) 2.613 16.289 ( 2.493 0.769 0.132) 2.613 16.995 ( -0.781 -0.375 -0.503) 1.001 16.995 ( -0.781 0.375 -0.503) 1.001 17.434 ( -1.609 -1.518 0.724) 2.328 17.434 ( -1.609 1.518 0.724) 2.328 18.058 ( -0.895 -0.356 1.218) 1.553 18.058 ( -0.895 0.356 1.218) 1.553 18.165 ( 0.481 -6.625 -1.738) 6.866 18.165 ( 0.481 6.625 -1.738) 6.866 18.988 ( -2.407 -0.257 0.526) 2.477 18.988 ( -2.407 0.257 0.526) 2.477 19.697 ( 1.937 -1.817 -0.595) 2.721 19.697 ( 1.937 1.817 -0.595) 2.721 20.079 ( -5.142 -3.657 0.569) 6.335 20.079 ( -5.142 3.657 0.569) 6.335 21.636 ( -0.125 -0.348 -0.030) 0.371 21.636 ( -0.125 0.348 -0.030) 0.371 ======================= Grid point 243 (107/110) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -5.778 -9.743 0.361) 11.333 0.886 ( -5.778 9.743 0.361) 11.333 0.993 ( -1.868 -4.672 -2.502) 5.619 0.993 ( -1.868 4.672 -2.502) 5.619 1.180 ( 1.164 -4.286 5.054) 6.728 1.180 ( 1.164 4.286 5.054) 6.728 1.299 ( 1.025 -2.883 -1.716) 3.507 1.299 ( 1.025 2.883 -1.716) 3.507 1.403 ( 2.087 -7.551 -4.582) 9.076 1.403 ( 2.087 7.551 -4.582) 9.076 1.564 ( 3.909 -6.803 3.095) 8.434 1.564 ( 3.909 6.803 3.095) 8.434 1.712 ( 2.116 -3.683 -1.026) 4.369 1.712 ( 2.116 3.683 -1.026) 4.369 1.872 ( 3.402 -0.773 -1.312) 3.727 1.872 ( 3.402 0.773 -1.312) 3.727 1.959 ( 1.036 -4.235 4.351) 6.160 1.959 ( 1.036 4.235 4.351) 6.160 2.195 ( 0.412 -0.886 -0.598) 1.146 2.195 ( 0.412 0.887 -0.598) 1.146 2.257 ( -5.060 -1.136 -1.299) 5.347 2.257 ( -5.060 1.136 -1.299) 5.347 2.385 ( -2.584 -1.094 0.081) 2.807 2.385 ( -2.584 1.094 0.081) 2.807 3.535 ( -0.716 -0.964 -0.030) 1.201 3.535 ( -0.716 0.964 -0.030) 1.201 3.739 ( 0.482 -0.700 0.094) 0.854 3.739 ( 0.482 0.700 0.094) 0.854 4.805 ( -0.590 -0.356 -0.025) 0.690 4.805 ( -0.590 0.356 -0.025) 0.690 5.208 ( -0.546 -0.358 -0.009) 0.653 5.208 ( -0.546 0.358 -0.009) 0.653 6.736 ( -0.701 -0.933 -0.051) 1.168 6.736 ( -0.701 0.933 -0.051) 1.168 6.927 ( -0.261 -0.328 0.012) 0.420 6.927 ( -0.261 0.328 0.012) 0.420 7.126 ( -0.488 -0.264 -0.028) 0.555 7.126 ( -0.488 0.264 -0.028) 0.555 7.685 ( -0.158 -0.415 0.048) 0.446 7.685 ( -0.158 0.415 0.048) 0.446 8.126 ( -0.543 -0.035 -0.005) 0.544 8.126 ( -0.543 0.035 -0.005) 0.544 8.392 ( 0.842 -0.617 0.044) 1.045 8.392 ( 0.842 0.617 0.044) 1.045 8.910 ( 1.988 -0.554 -0.078) 2.066 8.910 ( 1.988 0.554 -0.078) 2.066 9.648 ( -0.394 -0.190 -0.042) 0.440 9.648 ( -0.394 0.190 -0.042) 0.440 10.267 ( -2.066 -0.363 -0.023) 2.097 10.267 ( -2.066 0.363 -0.023) 2.097 10.801 ( -0.620 -0.590 0.043) 0.857 10.801 ( -0.620 0.590 0.043) 0.857 10.913 ( -0.422 -1.148 0.597) 1.361 10.913 ( -0.422 1.148 0.597) 1.361 10.947 ( -0.424 -0.745 -0.579) 1.035 10.947 ( -0.424 0.745 -0.579) 1.035 12.486 ( -1.380 -1.654 -0.010) 2.154 12.486 ( -1.380 1.654 -0.010) 2.154 13.122 ( -0.714 -1.127 0.019) 1.334 13.122 ( -0.714 1.127 0.019) 1.334 14.427 ( 0.371 -0.144 -0.072) 0.405 14.427 ( 0.371 0.144 -0.072) 0.405 15.130 ( 1.012 -0.726 -0.510) 1.346 15.130 ( 1.012 0.726 -0.510) 1.346 15.868 ( 3.197 -2.276 0.191) 3.929 15.868 ( 3.197 2.276 0.191) 3.929 16.348 ( 3.381 -1.099 -0.019) 3.555 16.348 ( 3.381 1.099 -0.019) 3.555 16.982 ( -0.122 -0.393 -0.605) 0.732 16.982 ( -0.122 0.393 -0.605) 0.732 17.389 ( -3.206 -2.233 1.076) 4.052 17.389 ( -3.206 2.233 1.076) 4.052 18.033 ( -2.541 -1.936 1.857) 3.696 18.033 ( -2.541 1.936 1.857) 3.696 18.142 ( -2.423 -7.944 -2.555) 8.689 18.142 ( -2.423 7.944 -2.555) 8.689 18.930 ( -3.489 -0.275 0.570) 3.546 18.930 ( -3.489 0.275 0.570) 3.546 19.741 ( 1.929 -3.033 -1.072) 3.750 19.741 ( 1.929 3.033 -1.072) 3.750 19.985 ( -3.259 -6.354 1.031) 7.215 19.985 ( -3.259 6.354 1.031) 7.215 21.627 ( -0.774 -0.359 -0.020) 0.853 21.627 ( -0.774 0.359 -0.020) 0.853 ======================= Grid point 245 (108/110) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -3.315 -7.274 -0.731) 8.027 0.791 ( -3.315 7.274 -0.731) 8.027 0.951 ( -2.174 -3.622 1.116) 4.369 0.951 ( -2.174 3.622 1.116) 4.369 1.203 ( -0.225 -1.797 0.601) 1.908 1.203 ( -0.225 1.797 0.601) 1.908 1.293 ( -1.223 -5.001 0.494) 5.172 1.293 ( -1.223 5.000 0.494) 5.172 1.430 ( 2.262 -4.443 -2.218) 5.457 1.430 ( 2.262 4.443 -2.218) 5.457 1.675 ( 6.136 -9.257 2.475) 11.379 1.675 ( 6.136 9.257 2.475) 11.379 1.746 ( 1.552 -3.823 -2.231) 4.691 1.746 ( 1.552 3.823 -2.231) 4.691 1.898 ( -0.464 -0.753 -1.252) 1.533 1.898 ( -0.464 0.753 -1.252) 1.533 2.007 ( 2.525 -3.618 3.706) 5.762 2.007 ( 2.525 3.618 3.706) 5.762 2.177 ( -1.543 -2.950 -1.379) 3.603 2.177 ( -1.543 2.950 -1.379) 3.603 2.199 ( -0.569 -3.069 -0.263) 3.132 2.199 ( -0.569 3.069 -0.263) 3.132 2.327 ( -3.316 -0.615 -0.077) 3.374 2.327 ( -3.316 0.615 -0.077) 3.374 3.518 ( -0.955 -0.859 -0.026) 1.285 3.518 ( -0.955 0.859 -0.026) 1.285 3.750 ( 0.540 -0.578 0.057) 0.793 3.750 ( 0.540 0.578 0.057) 0.793 4.795 ( -0.419 -0.334 -0.013) 0.536 4.795 ( -0.419 0.334 -0.013) 0.536 5.197 ( -0.560 -0.335 -0.016) 0.653 5.197 ( -0.560 0.335 -0.016) 0.653 6.721 ( -0.775 -0.967 -0.051) 1.240 6.721 ( -0.775 0.967 -0.051) 1.240 6.923 ( -0.108 -0.326 0.045) 0.346 6.923 ( -0.108 0.326 0.045) 0.346 7.117 ( -0.455 -0.190 -0.023) 0.493 7.117 ( -0.455 0.190 -0.023) 0.493 7.683 ( 0.002 -0.321 0.035) 0.323 7.683 ( 0.002 0.321 0.035) 0.323 8.115 ( -0.562 -0.065 0.002) 0.566 8.115 ( -0.562 0.065 0.002) 0.566 8.409 ( 0.837 -0.652 0.036) 1.062 8.409 ( 0.837 0.652 0.036) 1.062 8.944 ( 1.526 -0.490 -0.062) 1.604 8.944 ( 1.526 0.490 -0.062) 1.604 9.642 ( -0.275 -0.201 -0.045) 0.343 9.642 ( -0.275 0.201 -0.045) 0.343 10.227 ( -1.960 -0.224 0.008) 1.973 10.227 ( -1.960 0.224 0.008) 1.973 10.789 ( -0.564 -0.502 -0.026) 0.756 10.789 ( -0.564 0.502 -0.026) 0.756 10.908 ( -0.246 -1.197 0.584) 1.354 10.908 ( -0.246 1.197 0.584) 1.354 10.935 ( -0.644 -0.878 -0.563) 1.226 10.935 ( -0.644 0.878 -0.563) 1.226 12.464 ( -0.851 -1.573 0.002) 1.789 12.464 ( -0.851 1.573 0.003) 1.789 13.106 ( -0.955 -0.780 0.025) 1.233 13.106 ( -0.955 0.780 0.025) 1.233 14.434 ( 0.310 -0.214 0.002) 0.377 14.434 ( 0.310 0.214 0.002) 0.377 15.147 ( 0.845 -0.423 -0.517) 1.077 15.147 ( 0.845 0.423 -0.517) 1.077 15.939 ( 3.867 -1.735 0.364) 4.254 15.939 ( 3.867 1.735 0.364) 4.254 16.409 ( 2.789 -0.826 -0.279) 2.922 16.409 ( 2.789 0.826 -0.279) 2.922 16.994 ( 1.573 -0.297 -0.255) 1.621 16.994 ( 1.573 0.297 -0.255) 1.621 17.322 ( -3.839 -2.076 0.974) 4.472 17.322 ( -3.839 2.076 0.974) 4.472 17.935 ( -8.006 -6.230 0.807) 10.176 17.935 ( -8.006 6.230 0.807) 10.176 18.097 ( -1.078 -2.456 -1.462) 3.055 18.097 ( -1.078 2.456 -1.462) 3.055 18.867 ( -2.929 -0.386 0.293) 2.968 18.867 ( -2.929 0.386 0.293) 2.968 19.730 ( -2.413 -2.221 -0.602) 3.334 19.730 ( -2.413 2.221 -0.602) 3.334 20.001 ( 4.066 -5.219 0.596) 6.642 20.001 ( 4.066 5.219 0.596) 6.642 21.607 ( -1.254 -0.203 -0.002) 1.270 21.607 ( -1.254 0.203 -0.002) 1.270 ======================= Grid point 247 (109/110) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 1.032 -3.614 -0.910) 3.867 0.769 ( 1.032 3.614 -0.910) 3.867 0.910 ( -2.587 -3.787 2.304) 5.132 0.910 ( -2.587 3.787 2.304) 5.132 1.164 ( -2.993 -2.725 0.553) 4.085 1.164 ( -2.993 2.725 0.553) 4.085 1.303 ( 2.312 -4.758 -0.913) 5.368 1.303 ( 2.312 4.758 -0.913) 5.368 1.457 ( 0.182 -2.902 0.248) 2.918 1.457 ( 0.182 2.902 0.248) 2.918 1.715 ( -1.159 -1.909 -3.533) 4.180 1.715 ( -1.159 1.909 -3.533) 4.180 1.825 ( 4.946 -4.151 -0.033) 6.457 1.825 ( 4.946 4.151 -0.033) 6.457 1.884 ( 0.934 -0.866 3.306) 3.543 1.884 ( 0.934 0.866 3.306) 3.543 2.052 ( 0.950 -2.218 0.718) 2.517 2.052 ( 0.950 2.218 0.718) 2.517 2.145 ( -1.379 -3.213 -2.338) 4.206 2.145 ( -1.379 3.213 -2.338) 4.206 2.205 ( 0.026 -1.521 1.741) 2.312 2.205 ( 0.026 1.521 1.741) 2.312 2.268 ( -1.985 -0.320 -0.652) 2.114 2.268 ( -1.985 0.320 -0.652) 2.114 3.502 ( -0.681 -0.482 -0.013) 0.835 3.502 ( -0.681 0.482 -0.013) 0.835 3.759 ( 0.356 -0.299 0.018) 0.465 3.759 ( 0.356 0.299 0.018) 0.465 4.790 ( -0.175 -0.213 -0.000) 0.275 4.790 ( -0.175 0.213 -0.000) 0.275 5.188 ( -0.351 -0.197 -0.015) 0.403 5.188 ( -0.351 0.197 -0.015) 0.403 6.708 ( -0.508 -0.605 -0.030) 0.791 6.708 ( -0.508 0.605 -0.030) 0.791 6.923 ( -0.017 -0.213 0.038) 0.217 6.923 ( -0.017 0.213 0.038) 0.217 7.110 ( -0.264 -0.092 -0.012) 0.280 7.110 ( -0.264 0.092 -0.012) 0.280 7.684 ( 0.056 -0.168 0.017) 0.178 7.684 ( 0.056 0.168 0.017) 0.178 8.106 ( -0.351 -0.052 0.004) 0.355 8.106 ( -0.351 0.052 0.004) 0.355 8.423 ( 0.513 -0.415 0.019) 0.660 8.423 ( 0.513 0.415 0.019) 0.660 8.966 ( 0.765 -0.287 -0.033) 0.818 8.966 ( 0.765 0.287 -0.033) 0.818 9.638 ( -0.117 -0.131 -0.029) 0.178 9.638 ( -0.117 0.131 -0.029) 0.178 10.196 ( -1.176 -0.081 0.016) 1.179 10.196 ( -1.176 0.081 0.016) 1.179 10.781 ( -0.301 -0.292 -0.037) 0.421 10.781 ( -0.301 0.292 -0.037) 0.421 10.907 ( -0.031 -1.060 0.491) 1.168 10.907 ( -0.031 1.060 0.491) 1.168 10.922 ( -0.547 -0.877 -0.478) 1.139 10.922 ( -0.547 0.877 -0.478) 1.139 12.453 ( -0.366 -0.949 0.002) 1.017 12.453 ( -0.366 0.949 0.002) 1.017 13.089 ( -0.661 -0.341 0.017) 0.744 13.089 ( -0.661 0.341 0.017) 0.744 14.439 ( 0.161 -0.163 0.023) 0.230 14.439 ( 0.161 0.163 0.023) 0.230 15.158 ( 0.436 -0.150 -0.311) 0.556 15.158 ( 0.436 0.150 -0.311) 0.556 16.006 ( 2.705 -0.827 0.274) 2.842 16.006 ( 2.705 0.827 0.274) 2.842 16.449 ( 1.472 -0.328 -0.300) 1.537 16.449 ( 1.472 0.328 -0.300) 1.537 17.037 ( 2.513 -0.551 0.255) 2.585 17.037 ( 2.513 0.551 0.255) 2.585 17.256 ( -2.843 -1.224 0.360) 3.116 17.256 ( -2.843 1.224 0.360) 3.116 17.775 ( -7.360 -4.505 -0.003) 8.630 17.775 ( -7.360 4.505 -0.003) 8.630 18.085 ( -0.200 -0.558 -0.440) 0.738 18.085 ( -0.200 0.558 -0.440) 0.738 18.824 ( -1.568 -0.276 0.098) 1.595 18.824 ( -1.568 0.276 0.098) 1.595 19.682 ( -1.975 -0.896 -0.156) 2.175 19.682 ( -1.975 0.896 -0.156) 2.175 20.088 ( 3.833 -2.337 0.166) 4.492 20.088 ( 3.833 2.337 0.166) 4.492 21.584 ( -0.967 -0.111 0.003) 0.973 21.584 ( -0.967 0.111 0.003) 0.973 ======================= Grid point 249 (110/110) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.000 0.000 0.000) 0.000 0.794 ( -0.000 0.000 0.000) 0.000 0.876 ( 0.000 -0.000 -0.000) 0.000 0.876 ( -0.000 0.000 0.000) 0.000 1.132 ( -0.000 0.000 0.000) 0.000 1.132 ( -0.000 0.000 0.000) 0.000 1.338 ( -0.000 0.000 -0.000) 0.000 1.338 ( -0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 -0.000) 0.000 1.449 ( -0.000 0.000 0.000) 0.000 1.692 ( -0.000 -0.000 -0.000) 0.000 1.692 ( -0.000 0.000 0.000) 0.000 1.848 ( -0.000 0.000 -0.000) 0.000 1.848 ( -0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.959 ( -0.000 0.000 0.000) 0.000 2.030 ( -0.000 0.000 -0.000) 0.000 2.030 ( -0.000 0.000 -0.000) 0.000 2.133 ( -0.000 0.000 0.000) 0.000 2.133 ( -0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 -0.000) 0.000 2.196 ( -0.000 0.000 0.000) 0.000 2.258 ( -0.000 0.000 -0.000) 0.000 2.258 ( -0.000 0.000 0.000) 0.000 3.495 ( -0.000 0.000 0.000) 0.000 3.495 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 4.788 ( -0.000 0.000 0.000) 0.000 4.788 ( -0.000 0.000 0.000) 0.000 5.184 ( -0.000 0.000 0.000) 0.000 5.184 ( -0.000 0.000 0.000) 0.000 6.703 ( -0.000 0.000 -0.000) 0.000 6.703 ( -0.000 0.000 0.000) 0.000 6.923 ( -0.000 0.000 0.000) 0.000 6.923 ( -0.000 0.000 0.000) 0.000 7.107 ( -0.000 0.000 0.000) 0.000 7.107 ( -0.000 0.000 0.000) 0.000 7.685 ( -0.000 0.000 0.000) 0.000 7.685 ( -0.000 0.000 0.000) 0.000 8.103 ( -0.000 0.000 0.000) 0.000 8.103 ( -0.000 0.000 0.000) 0.000 8.428 ( -0.000 0.000 0.000) 0.000 8.428 ( -0.000 0.000 0.000) 0.000 8.974 ( -0.000 0.000 0.000) 0.000 8.974 ( -0.000 0.000 0.000) 0.000 9.637 ( -0.000 0.000 0.000) 0.000 9.637 ( -0.000 0.000 0.000) 0.000 10.185 ( -0.000 0.000 0.000) 0.000 10.185 ( -0.000 0.000 0.000) 0.000 10.778 ( -0.000 0.000 0.000) 0.000 10.778 ( -0.000 0.000 0.000) 0.000 10.908 ( -0.000 -0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.915 ( -0.000 0.000 -0.000) 0.000 10.915 ( -0.000 0.000 -0.000) 0.000 12.449 ( -0.000 0.000 0.000) 0.000 12.449 ( -0.000 0.000 0.000) 0.000 13.083 ( -0.000 0.000 0.000) 0.000 13.083 ( -0.000 0.000 0.000) 0.000 14.440 ( -0.000 0.000 0.000) 0.000 14.440 ( -0.000 0.000 0.000) 0.000 15.162 ( -0.000 0.000 0.000) 0.000 15.162 ( -0.000 0.000 0.000) 0.000 16.034 ( -0.000 0.000 0.000) 0.000 16.034 ( -0.000 0.000 0.000) 0.000 16.463 ( -0.000 0.000 -0.000) 0.000 16.463 ( -0.000 0.000 0.000) 0.000 17.068 ( -0.000 0.000 0.000) 0.000 17.068 ( -0.000 0.000 0.000) 0.000 17.226 ( -0.000 0.000 0.000) 0.000 17.226 ( -0.000 0.000 0.000) 0.000 17.697 ( -0.000 0.000 0.000) 0.000 17.697 ( -0.000 0.000 0.000) 0.000 18.083 ( -0.000 0.000 0.000) 0.000 18.083 ( -0.000 0.000 0.000) 0.000 18.809 ( -0.000 0.000 0.000) 0.000 18.809 ( -0.000 0.000 0.000) 0.000 19.662 ( -0.000 0.000 -0.000) 0.000 19.662 ( -0.000 0.000 0.000) 0.000 20.127 ( -0.000 0.000 0.000) 0.000 20.127 ( -0.000 0.000 0.000) 0.000 21.574 ( -0.000 0.000 0.000) 0.000 21.574 ( -0.000 0.000 0.000) 0.000 =================== 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 3/26880 10.0 4.229 4.404 3.983 0.000 0.667 0.000 3/26880 20.0 1.416 1.476 1.317 0.000 0.187 0.000 3/26880 30.0 0.850 0.878 0.781 0.000 0.114 0.000 3/26880 40.0 0.621 0.635 0.566 0.000 0.084 0.000 3/26880 50.0 0.494 0.502 0.449 0.000 0.067 0.000 3/26880 60.0 0.413 0.419 0.377 0.000 0.055 0.000 3/26880 70.0 0.359 0.363 0.332 0.000 0.047 0.000 3/26880 80.0 0.320 0.324 0.303 0.000 0.040 0.000 3/26880 90.0 0.292 0.296 0.284 0.000 0.035 0.000 3/26880 100.0 0.271 0.275 0.271 0.000 0.030 0.000 3/26880 110.0 0.255 0.260 0.262 0.000 0.026 0.000 3/26880 120.0 0.243 0.248 0.255 0.000 0.023 0.000 3/26880 130.0 0.234 0.238 0.249 0.000 0.020 0.000 3/26880 140.0 0.227 0.231 0.244 0.000 0.017 0.000 3/26880 150.0 0.222 0.225 0.240 0.000 0.014 0.000 3/26880 160.0 0.217 0.220 0.236 0.000 0.012 0.000 3/26880 170.0 0.214 0.216 0.232 0.000 0.010 0.000 3/26880 180.0 0.211 0.213 0.229 0.000 0.008 0.000 3/26880 190.0 0.208 0.210 0.225 0.000 0.006 0.000 3/26880 200.0 0.205 0.207 0.221 0.000 0.005 0.000 3/26880 210.0 0.203 0.204 0.218 0.000 0.003 0.000 3/26880 220.0 0.200 0.202 0.214 0.000 0.002 0.000 3/26880 230.0 0.198 0.199 0.211 0.000 0.000 0.000 3/26880 240.0 0.196 0.196 0.207 0.000 -0.001 0.000 3/26880 250.0 0.193 0.194 0.204 0.000 -0.002 0.000 3/26880 260.0 0.191 0.191 0.200 0.000 -0.003 0.000 3/26880 270.0 0.189 0.189 0.197 0.000 -0.003 0.000 3/26880 280.0 0.186 0.186 0.193 0.000 -0.004 0.000 3/26880 290.0 0.184 0.184 0.190 0.000 -0.005 0.000 3/26880 300.0 0.181 0.181 0.187 0.000 -0.005 0.000 3/26880 310.0 0.179 0.178 0.184 0.000 -0.006 0.000 3/26880 320.0 0.176 0.176 0.180 0.000 -0.006 0.000 3/26880 330.0 0.174 0.173 0.177 0.000 -0.007 0.000 3/26880 340.0 0.171 0.171 0.174 0.000 -0.007 0.000 3/26880 350.0 0.169 0.168 0.171 0.000 -0.007 0.000 3/26880 360.0 0.166 0.166 0.168 0.000 -0.008 0.000 3/26880 370.0 0.164 0.163 0.165 0.000 -0.008 0.000 3/26880 380.0 0.161 0.161 0.162 0.000 -0.008 0.000 3/26880 390.0 0.159 0.159 0.160 0.000 -0.008 0.000 3/26880 400.0 0.157 0.156 0.157 0.000 -0.008 0.000 3/26880 410.0 0.154 0.154 0.154 0.000 -0.009 0.000 3/26880 420.0 0.152 0.152 0.152 0.000 -0.009 0.000 3/26880 430.0 0.150 0.149 0.149 0.000 -0.009 0.000 3/26880 440.0 0.148 0.147 0.147 0.000 -0.009 0.000 3/26880 450.0 0.145 0.145 0.145 0.000 -0.009 0.000 3/26880 460.0 0.143 0.143 0.142 0.000 -0.009 0.000 3/26880 470.0 0.141 0.141 0.140 0.000 -0.009 0.000 3/26880 480.0 0.139 0.139 0.138 0.000 -0.009 0.000 3/26880 490.0 0.137 0.137 0.136 0.000 -0.009 0.000 3/26880 500.0 0.135 0.135 0.134 0.000 -0.009 0.000 3/26880 510.0 0.133 0.133 0.132 0.000 -0.009 0.000 3/26880 520.0 0.132 0.131 0.130 0.000 -0.009 0.000 3/26880 530.0 0.130 0.129 0.128 0.000 -0.009 0.000 3/26880 540.0 0.128 0.127 0.126 0.000 -0.009 0.000 3/26880 550.0 0.126 0.126 0.124 0.000 -0.009 0.000 3/26880 560.0 0.124 0.124 0.122 0.000 -0.009 0.000 3/26880 570.0 0.123 0.122 0.120 0.000 -0.009 0.000 3/26880 580.0 0.121 0.121 0.119 0.000 -0.009 0.000 3/26880 590.0 0.120 0.119 0.117 0.000 -0.009 0.000 3/26880 600.0 0.118 0.118 0.115 0.000 -0.009 0.000 3/26880 610.0 0.116 0.116 0.114 0.000 -0.009 0.000 3/26880 620.0 0.115 0.114 0.112 0.000 -0.009 0.000 3/26880 630.0 0.113 0.113 0.111 0.000 -0.009 0.000 3/26880 640.0 0.112 0.112 0.109 0.000 -0.009 0.000 3/26880 650.0 0.111 0.110 0.108 0.000 -0.008 0.000 3/26880 660.0 0.109 0.109 0.107 0.000 -0.008 0.000 3/26880 670.0 0.108 0.107 0.105 0.000 -0.008 0.000 3/26880 680.0 0.107 0.106 0.104 0.000 -0.008 0.000 3/26880 690.0 0.105 0.105 0.103 0.000 -0.008 0.000 3/26880 700.0 0.104 0.104 0.101 0.000 -0.008 0.000 3/26880 710.0 0.103 0.102 0.100 0.000 -0.008 0.000 3/26880 720.0 0.102 0.101 0.099 0.000 -0.008 0.000 3/26880 730.0 0.100 0.100 0.098 0.000 -0.008 0.000 3/26880 740.0 0.099 0.099 0.096 0.000 -0.008 0.000 3/26880 750.0 0.098 0.098 0.095 0.000 -0.008 0.000 3/26880 760.0 0.097 0.097 0.094 0.000 -0.008 0.000 3/26880 770.0 0.096 0.096 0.093 0.000 -0.008 0.000 3/26880 780.0 0.095 0.095 0.092 0.000 -0.008 0.000 3/26880 790.0 0.094 0.093 0.091 0.000 -0.008 0.000 3/26880 800.0 0.093 0.092 0.090 0.000 -0.008 0.000 3/26880 810.0 0.092 0.091 0.089 0.000 -0.008 0.000 3/26880 820.0 0.091 0.090 0.088 0.000 -0.007 0.000 3/26880 830.0 0.090 0.090 0.087 0.000 -0.007 0.000 3/26880 840.0 0.089 0.089 0.086 0.000 -0.007 0.000 3/26880 850.0 0.088 0.088 0.085 0.000 -0.007 0.000 3/26880 860.0 0.087 0.087 0.084 0.000 -0.007 0.000 3/26880 870.0 0.086 0.086 0.083 0.000 -0.007 0.000 3/26880 880.0 0.085 0.085 0.083 0.000 -0.007 0.000 3/26880 890.0 0.084 0.084 0.082 0.000 -0.007 0.000 3/26880 900.0 0.084 0.083 0.081 0.000 -0.007 0.000 3/26880 910.0 0.083 0.082 0.080 0.000 -0.007 0.000 3/26880 920.0 0.082 0.082 0.079 0.000 -0.007 0.000 3/26880 930.0 0.081 0.081 0.078 0.000 -0.007 0.000 3/26880 940.0 0.080 0.080 0.078 0.000 -0.007 0.000 3/26880 950.0 0.080 0.079 0.077 0.000 -0.007 0.000 3/26880 960.0 0.079 0.079 0.076 0.000 -0.007 0.000 3/26880 970.0 0.078 0.078 0.075 0.000 -0.007 0.000 3/26880 980.0 0.077 0.077 0.075 0.000 -0.007 0.000 3/26880 990.0 0.077 0.076 0.074 0.000 -0.007 0.000 3/26880 1000.0 0.076 0.076 0.073 0.000 -0.007 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m1084.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:36:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|