----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:26:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.568456640001287 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): *1 Sr 0.03820761077260 0.13516041397842 0.39292707302704 87.620 *2 Sr 0.56425277986744 0.37587123761427 0.17510704780701 87.620 3 Sr 0.56425277986744 0.12412876238573 0.67510704780701 87.620 4 Sr 0.43574722013256 0.87587123761427 0.32489295219299 87.620 5 Sr 0.43574722013256 0.62412876238573 0.82489295219299 87.620 6 Sr 0.96179238922740 0.63516041397842 0.10707292697296 87.620 *7 Sr 0.02969793322247 0.60927428195871 0.38654230937528 87.620 8 Sr 0.96179238922740 0.86483958602158 0.60707292697296 87.620 9 Sr 0.97030206677753 0.39072571804129 0.61345769062472 87.620 10 Sr 0.03820761077260 0.36483958602158 0.89292707302704 87.620 11 Sr 0.02969793322247 0.89072571804129 0.88654230937528 87.620 12 Sr 0.97030206677753 0.10927428195871 0.11345769062472 87.620 *13 B 0.60197455541440 0.27973755171893 0.89369433116490 10.811 *14 B 0.59820119980677 0.53111251711970 0.38857747878394 10.811 *15 B 0.24028275449433 0.12730024136072 0.79201487786473 10.811 16 B 0.60197455541440 0.22026244828107 0.39369433116489 10.811 17 B 0.59820119980677 0.96888748288030 0.88857747878394 10.811 18 B 0.39802544458560 0.77973755171893 0.60630566883510 10.811 19 B 0.40179880019323 0.03111251711970 0.11142252121606 10.811 20 B 0.40179880019323 0.46888748288030 0.61142252121606 10.811 21 B 0.75971724550567 0.62730024136072 0.70798512213527 10.811 22 B 0.39802544458560 0.72026244828107 0.10630566883511 10.811 23 B 0.24028275449433 0.37269975863928 0.29201487786473 10.811 24 B 0.75971724550567 0.87269975863928 0.20798512213527 10.811 *25 N 0.73092039808429 0.37551205713551 0.39904378519914 14.007 *26 N 0.35476287948187 0.20775801604755 0.32222044697163 14.007 27 N 0.73092039808429 0.12448794286449 0.89904378519914 14.007 *28 N 0.35038109287679 0.96061454291996 0.81817479599197 14.007 29 N 0.64523712051813 0.70775801604755 0.17777955302837 14.007 30 N 0.64961890712321 0.03938545708004 0.18182520400803 14.007 31 N 0.26907960191571 0.62448794286449 0.60095621480086 14.007 32 N 0.64961890712321 0.46061454291996 0.68182520400803 14.007 33 N 0.26907960191571 0.87551205713551 0.10095621480086 14.007 34 N 0.35038109287679 0.53938545708004 0.31817479599197 14.007 35 N 0.64523712051813 0.79224198395245 0.67777955302837 14.007 36 N 0.35476287948187 0.29224198395245 0.82222044697163 14.007 *37 O 0.73085571482800 0.08215017258397 0.46112207440392 15.999 38 O 0.26914428517200 0.91784982741603 0.53887792559608 15.999 *39 O 0.27473197382156 0.32640530794251 0.55155836508066 15.999 40 O 0.72526802617844 0.82640530794251 0.94844163491934 15.999 *41 O 0.00414876336583 0.62868550691125 0.76122860291761 15.999 42 O 0.27473197382156 0.17359469205749 0.05155836508066 15.999 43 O 0.26914428517200 0.58215017258397 0.03887792559608 15.999 44 O 0.72526802617844 0.67359469205749 0.44844163491934 15.999 45 O 0.99585123663417 0.37131449308875 0.23877139708239 15.999 46 O 0.00414876336583 0.87131449308875 0.26122860291761 15.999 47 O 0.99585123663417 0.12868550691125 0.73877139708239 15.999 48 O 0.73085571482800 0.41784982741603 0.96112207440392 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.568456640001287 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): *1 Sr 0.03820761077260 0.13516041397842 0.39292707302704 87.620 > 1 *2 Sr 0.56425277986744 0.37587123761427 0.17510704780701 87.620 > 2 3 Sr 0.56425277986744 0.12412876238573 0.67510704780701 87.620 > 3 4 Sr 0.43574722013256 0.87587123761427 0.32489295219299 87.620 > 4 5 Sr 0.43574722013256 0.62412876238573 0.82489295219299 87.620 > 5 6 Sr 0.96179238922740 0.63516041397842 0.10707292697296 87.620 > 6 *7 Sr 0.02969793322247 0.60927428195871 0.38654230937528 87.620 > 7 8 Sr 0.96179238922740 0.86483958602158 0.60707292697296 87.620 > 8 9 Sr 0.97030206677753 0.39072571804129 0.61345769062472 87.620 > 9 10 Sr 0.03820761077260 0.36483958602158 0.89292707302704 87.620 > 10 11 Sr 0.02969793322247 0.89072571804129 0.88654230937528 87.620 > 11 12 Sr 0.97030206677753 0.10927428195871 0.11345769062472 87.620 > 12 *13 B 0.60197455541440 0.27973755171893 0.89369433116490 10.811 > 13 *14 B 0.59820119980677 0.53111251711970 0.38857747878394 10.811 > 14 *15 B 0.24028275449433 0.12730024136072 0.79201487786473 10.811 > 15 16 B 0.60197455541440 0.22026244828107 0.39369433116489 10.811 > 16 17 B 0.59820119980677 0.96888748288030 0.88857747878394 10.811 > 17 18 B 0.39802544458560 0.77973755171893 0.60630566883510 10.811 > 18 19 B 0.40179880019323 0.03111251711970 0.11142252121606 10.811 > 19 20 B 0.40179880019323 0.46888748288030 0.61142252121606 10.811 > 20 21 B 0.75971724550567 0.62730024136072 0.70798512213527 10.811 > 21 22 B 0.39802544458560 0.72026244828107 0.10630566883511 10.811 > 22 23 B 0.24028275449433 0.37269975863928 0.29201487786473 10.811 > 23 24 B 0.75971724550567 0.87269975863928 0.20798512213527 10.811 > 24 *25 N 0.73092039808429 0.37551205713551 0.39904378519914 14.007 > 25 *26 N 0.35476287948187 0.20775801604755 0.32222044697163 14.007 > 26 27 N 0.73092039808429 0.12448794286449 0.89904378519914 14.007 > 27 *28 N 0.35038109287679 0.96061454291996 0.81817479599197 14.007 > 28 29 N 0.64523712051813 0.70775801604755 0.17777955302837 14.007 > 29 30 N 0.64961890712321 0.03938545708004 0.18182520400803 14.007 > 30 31 N 0.26907960191571 0.62448794286449 0.60095621480086 14.007 > 31 32 N 0.64961890712321 0.46061454291996 0.68182520400803 14.007 > 32 33 N 0.26907960191571 0.87551205713551 0.10095621480086 14.007 > 33 34 N 0.35038109287679 0.53938545708004 0.31817479599197 14.007 > 34 35 N 0.64523712051813 0.79224198395245 0.67777955302837 14.007 > 35 36 N 0.35476287948187 0.29224198395245 0.82222044697163 14.007 > 36 *37 O 0.73085571482800 0.08215017258397 0.46112207440392 15.999 > 37 38 O 0.26914428517200 0.91784982741603 0.53887792559608 15.999 > 38 *39 O 0.27473197382156 0.32640530794251 0.55155836508066 15.999 > 39 40 O 0.72526802617844 0.82640530794251 0.94844163491934 15.999 > 40 *41 O 0.00414876336583 0.62868550691125 0.76122860291761 15.999 > 41 42 O 0.27473197382156 0.17359469205749 0.05155836508066 15.999 > 42 43 O 0.26914428517200 0.58215017258397 0.03887792559608 15.999 > 43 44 O 0.72526802617844 0.67359469205749 0.44844163491934 15.999 > 44 45 O 0.99585123663417 0.37131449308875 0.23877139708239 15.999 > 45 46 O 0.00414876336583 0.87131449308875 0.26122860291761 15.999 > 46 47 O 0.99585123663417 0.12868550691125 0.73877139708239 15.999 > 47 48 O 0.73085571482800 0.41784982741603 0.96112207440392 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.136913280002574 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): *1 Sr 0.01910380538630 0.13516041397842 0.39292707302704 87.620 > 1 2 Sr 0.51910380538630 0.13516041397842 0.39292707302704 87.620 > 1 *3 Sr 0.28212638993372 0.37587123761427 0.17510704780701 87.620 > 2 4 Sr 0.78212638993372 0.37587123761427 0.17510704780701 87.620 > 2 5 Sr 0.28212638993372 0.12412876238573 0.67510704780701 87.620 > 3 6 Sr 0.78212638993372 0.12412876238573 0.67510704780701 87.620 > 3 7 Sr 0.21787361006628 0.87587123761427 0.32489295219299 87.620 > 4 8 Sr 0.71787361006628 0.87587123761427 0.32489295219299 87.620 > 4 9 Sr 0.21787361006628 0.62412876238573 0.82489295219299 87.620 > 5 10 Sr 0.71787361006628 0.62412876238573 0.82489295219299 87.620 > 5 11 Sr 0.48089619461370 0.63516041397842 0.10707292697296 87.620 > 6 12 Sr 0.98089619461370 0.63516041397842 0.10707292697296 87.620 > 6 *13 Sr 0.01484896661124 0.60927428195871 0.38654230937528 87.620 > 7 14 Sr 0.51484896661124 0.60927428195871 0.38654230937528 87.620 > 7 15 Sr 0.48089619461370 0.86483958602158 0.60707292697296 87.620 > 8 16 Sr 0.98089619461370 0.86483958602158 0.60707292697296 87.620 > 8 17 Sr 0.48515103338876 0.39072571804129 0.61345769062472 87.620 > 9 18 Sr 0.98515103338876 0.39072571804129 0.61345769062472 87.620 > 9 19 Sr 0.01910380538630 0.36483958602158 0.89292707302704 87.620 > 10 20 Sr 0.51910380538630 0.36483958602158 0.89292707302704 87.620 > 10 21 Sr 0.01484896661124 0.89072571804129 0.88654230937528 87.620 > 11 22 Sr 0.51484896661124 0.89072571804129 0.88654230937528 87.620 > 11 23 Sr 0.48515103338876 0.10927428195871 0.11345769062472 87.620 > 12 24 Sr 0.98515103338876 0.10927428195871 0.11345769062472 87.620 > 12 *25 B 0.30098727770720 0.27973755171893 0.89369433116490 10.811 > 13 26 B 0.80098727770720 0.27973755171893 0.89369433116490 10.811 > 13 *27 B 0.29910059990339 0.53111251711970 0.38857747878394 10.811 > 14 28 B 0.79910059990339 0.53111251711970 0.38857747878394 10.811 > 14 *29 B 0.12014137724717 0.12730024136072 0.79201487786473 10.811 > 15 30 B 0.62014137724717 0.12730024136072 0.79201487786473 10.811 > 15 31 B 0.30098727770720 0.22026244828107 0.39369433116489 10.811 > 16 32 B 0.80098727770720 0.22026244828107 0.39369433116489 10.811 > 16 33 B 0.29910059990339 0.96888748288030 0.88857747878394 10.811 > 17 34 B 0.79910059990339 0.96888748288030 0.88857747878394 10.811 > 17 35 B 0.19901272229280 0.77973755171893 0.60630566883510 10.811 > 18 36 B 0.69901272229280 0.77973755171893 0.60630566883510 10.811 > 18 37 B 0.20089940009661 0.03111251711970 0.11142252121606 10.811 > 19 38 B 0.70089940009661 0.03111251711970 0.11142252121606 10.811 > 19 39 B 0.20089940009661 0.46888748288030 0.61142252121606 10.811 > 20 40 B 0.70089940009661 0.46888748288030 0.61142252121606 10.811 > 20 41 B 0.37985862275283 0.62730024136072 0.70798512213527 10.811 > 21 42 B 0.87985862275283 0.62730024136072 0.70798512213527 10.811 > 21 43 B 0.19901272229280 0.72026244828107 0.10630566883511 10.811 > 22 44 B 0.69901272229280 0.72026244828107 0.10630566883511 10.811 > 22 45 B 0.12014137724717 0.37269975863928 0.29201487786473 10.811 > 23 46 B 0.62014137724717 0.37269975863928 0.29201487786473 10.811 > 23 47 B 0.37985862275283 0.87269975863928 0.20798512213527 10.811 > 24 48 B 0.87985862275283 0.87269975863928 0.20798512213527 10.811 > 24 *49 N 0.36546019904214 0.37551205713551 0.39904378519914 14.007 > 25 50 N 0.86546019904214 0.37551205713551 0.39904378519914 14.007 > 25 *51 N 0.17738143974094 0.20775801604755 0.32222044697163 14.007 > 26 52 N 0.67738143974094 0.20775801604755 0.32222044697163 14.007 > 26 53 N 0.36546019904214 0.12448794286449 0.89904378519914 14.007 > 27 54 N 0.86546019904214 0.12448794286449 0.89904378519914 14.007 > 27 *55 N 0.17519054643839 0.96061454291996 0.81817479599197 14.007 > 28 56 N 0.67519054643839 0.96061454291996 0.81817479599197 14.007 > 28 57 N 0.32261856025906 0.70775801604755 0.17777955302837 14.007 > 29 58 N 0.82261856025906 0.70775801604755 0.17777955302837 14.007 > 29 59 N 0.32480945356161 0.03938545708004 0.18182520400803 14.007 > 30 60 N 0.82480945356161 0.03938545708004 0.18182520400803 14.007 > 30 61 N 0.13453980095786 0.62448794286449 0.60095621480086 14.007 > 31 62 N 0.63453980095786 0.62448794286449 0.60095621480086 14.007 > 31 63 N 0.32480945356161 0.46061454291996 0.68182520400803 14.007 > 32 64 N 0.82480945356161 0.46061454291996 0.68182520400803 14.007 > 32 65 N 0.13453980095786 0.87551205713551 0.10095621480086 14.007 > 33 66 N 0.63453980095786 0.87551205713551 0.10095621480086 14.007 > 33 67 N 0.17519054643839 0.53938545708004 0.31817479599197 14.007 > 34 68 N 0.67519054643839 0.53938545708004 0.31817479599197 14.007 > 34 69 N 0.32261856025906 0.79224198395245 0.67777955302837 14.007 > 35 70 N 0.82261856025906 0.79224198395245 0.67777955302837 14.007 > 35 71 N 0.17738143974094 0.29224198395245 0.82222044697163 14.007 > 36 72 N 0.67738143974094 0.29224198395245 0.82222044697163 14.007 > 36 *73 O 0.36542785741400 0.08215017258397 0.46112207440392 15.999 > 37 74 O 0.86542785741400 0.08215017258397 0.46112207440392 15.999 > 37 75 O 0.13457214258600 0.91784982741603 0.53887792559608 15.999 > 38 76 O 0.63457214258600 0.91784982741603 0.53887792559608 15.999 > 38 *77 O 0.13736598691078 0.32640530794251 0.55155836508066 15.999 > 39 78 O 0.63736598691078 0.32640530794251 0.55155836508066 15.999 > 39 79 O 0.36263401308922 0.82640530794251 0.94844163491934 15.999 > 40 80 O 0.86263401308922 0.82640530794251 0.94844163491934 15.999 > 40 *81 O 0.00207438168292 0.62868550691125 0.76122860291761 15.999 > 41 82 O 0.50207438168292 0.62868550691125 0.76122860291761 15.999 > 41 83 O 0.13736598691078 0.17359469205749 0.05155836508066 15.999 > 42 84 O 0.63736598691078 0.17359469205749 0.05155836508066 15.999 > 42 85 O 0.13457214258600 0.58215017258397 0.03887792559608 15.999 > 43 86 O 0.63457214258600 0.58215017258397 0.03887792559608 15.999 > 43 87 O 0.36263401308922 0.67359469205749 0.44844163491934 15.999 > 44 88 O 0.86263401308922 0.67359469205749 0.44844163491934 15.999 > 44 89 O 0.49792561831708 0.37131449308875 0.23877139708239 15.999 > 45 90 O 0.99792561831708 0.37131449308875 0.23877139708239 15.999 > 45 91 O 0.00207438168292 0.87131449308875 0.26122860291761 15.999 > 46 92 O 0.50207438168292 0.87131449308875 0.26122860291761 15.999 > 46 93 O 0.49792561831708 0.12868550691125 0.73877139708239 15.999 > 47 94 O 0.99792561831708 0.12868550691125 0.73877139708239 15.999 > 47 95 O 0.36542785741400 0.41784982741603 0.96112207440392 15.999 > 48 96 O 0.86542785741400 0.41784982741603 0.96112207440392 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8571848 0.0000000 0.2475877 0.0000000 4.0652850 0.0000000 0.2475861 0.0000000 3.6530154 -------------------------- Born effective charges -------------------------- 1 Sr 2.5766871 0.0959236 0.0248545 -0.0213261 2.5895716 0.1223044 0.0750370 0.1589600 2.6859819 2 Sr 2.2834440 0.0284893 0.0070200 0.0190368 2.8323362 0.0847253 0.0123182 0.0462208 2.2756341 3 Sr 2.2834440 -0.0284893 0.0070200 -0.0190368 2.8323362 -0.0847253 0.0123182 -0.0462208 2.2756341 4 Sr 2.2834440 -0.0284893 0.0070200 -0.0190368 2.8323362 -0.0847253 0.0123182 -0.0462208 2.2756341 5 Sr 2.2834440 0.0284893 0.0070200 0.0190368 2.8323362 0.0847253 0.0123182 0.0462208 2.2756341 6 Sr 2.5766871 -0.0959236 0.0248545 0.0213261 2.5895716 -0.1223044 0.0750370 -0.1589600 2.6859819 7 Sr 2.5581253 -0.0856016 -0.0930188 0.0374490 2.1147549 -0.1066873 -0.0060293 -0.1598084 2.7517678 8 Sr 2.5766871 0.0959236 0.0248545 -0.0213261 2.5895716 0.1223044 0.0750370 0.1589600 2.6859819 9 Sr 2.5581253 -0.0856016 -0.0930188 0.0374490 2.1147549 -0.1066873 -0.0060293 -0.1598084 2.7517678 10 Sr 2.5766871 -0.0959236 0.0248545 0.0213261 2.5895716 -0.1223044 0.0750370 -0.1589600 2.6859819 11 Sr 2.5581253 0.0856016 -0.0930188 -0.0374490 2.1147549 0.1066873 -0.0060293 0.1598084 2.7517678 12 Sr 2.5581253 0.0856016 -0.0930188 -0.0374490 2.1147549 0.1066873 -0.0060293 0.1598084 2.7517678 13 B 1.6815606 -0.1461473 0.9811450 -0.1527706 2.3605608 0.5404695 0.9790049 0.6018003 1.2666023 14 B 1.7194482 -0.0752483 0.9639660 -0.0780220 2.3278613 0.4811191 0.9333894 0.5122712 1.1731149 15 B 2.0871834 0.0030742 1.0893235 -0.0371081 2.4003609 0.0028641 0.8403688 0.0005219 0.5357741 16 B 1.6815606 0.1461473 0.9811450 0.1527706 2.3605608 -0.5404695 0.9790049 -0.6018003 1.2666023 17 B 1.7194482 0.0752483 0.9639660 0.0780220 2.3278613 -0.4811191 0.9333894 -0.5122712 1.1731149 18 B 1.6815606 0.1461473 0.9811450 0.1527706 2.3605608 -0.5404695 0.9790049 -0.6018003 1.2666023 19 B 1.7194482 0.0752483 0.9639660 0.0780220 2.3278613 -0.4811191 0.9333894 -0.5122712 1.1731149 20 B 1.7194482 -0.0752483 0.9639660 -0.0780220 2.3278613 0.4811191 0.9333894 0.5122712 1.1731149 21 B 2.0871834 -0.0030742 1.0893235 0.0371081 2.4003609 -0.0028641 0.8403688 -0.0005219 0.5357741 22 B 1.6815606 -0.1461473 0.9811450 -0.1527706 2.3605608 0.5404695 0.9790049 0.6018003 1.2666023 23 B 2.0871834 -0.0030742 1.0893235 0.0371081 2.4003609 -0.0028641 0.8403688 -0.0005219 0.5357741 24 B 2.0871834 0.0030742 1.0893235 -0.0371081 2.4003609 0.0028641 0.8403688 0.0005219 0.5357741 25 N -1.9834302 -0.0309392 -0.3429351 -0.0239607 -2.7559848 -0.0147455 -0.2382695 0.0002041 -1.7008371 26 N -2.4047148 0.2911520 -0.6469171 0.2831513 -2.4949669 0.1895462 -0.6376731 0.0567709 -1.6193046 27 N -1.9834302 0.0309392 -0.3429351 0.0239607 -2.7559848 0.0147455 -0.2382695 -0.0002041 -1.7008371 28 N -2.4095741 0.2870928 -0.5974018 0.3225359 -2.4471607 0.2023816 -0.5802786 0.0712323 -1.5635309 29 N -2.4047148 -0.2911520 -0.6469171 -0.2831513 -2.4949669 -0.1895462 -0.6376731 -0.0567709 -1.6193046 30 N -2.4095741 0.2870928 -0.5974018 0.3225359 -2.4471607 0.2023816 -0.5802786 0.0712323 -1.5635309 31 N -1.9834302 -0.0309392 -0.3429351 -0.0239607 -2.7559848 -0.0147455 -0.2382695 0.0002041 -1.7008371 32 N -2.4095741 -0.2870928 -0.5974018 -0.3225359 -2.4471607 -0.2023816 -0.5802786 -0.0712323 -1.5635309 33 N -1.9834302 0.0309392 -0.3429351 0.0239607 -2.7559848 0.0147455 -0.2382695 -0.0002041 -1.7008371 34 N -2.4095741 -0.2870928 -0.5974018 -0.3225359 -2.4471607 -0.2023816 -0.5802786 -0.0712323 -1.5635309 35 N -2.4047148 0.2911520 -0.6469171 0.2831513 -2.4949669 0.1895462 -0.6376731 0.0567709 -1.6193046 36 N -2.4047148 -0.2911520 -0.6469171 -0.2831513 -2.4949669 -0.1895462 -0.6376731 -0.0567709 -1.6193046 37 O -1.6201145 0.2536873 -0.4078374 0.2712276 -2.5805472 0.6351151 -0.4047908 0.6001917 -2.0647007 38 O -1.6201145 0.2536873 -0.4078374 0.2712276 -2.5805472 0.6351151 -0.4047908 0.6001917 -2.0647007 39 O -1.7319656 -0.2548566 -0.4158463 -0.2773296 -2.5222814 -0.5159594 -0.4460552 -0.4933700 -2.0483239 40 O -1.7319656 0.2548566 -0.4158463 0.2773296 -2.5222814 0.5159594 -0.4460552 0.4933700 -2.0483239 41 O -2.7566494 0.0114203 -0.5623525 -0.0193318 -1.8245045 -0.0512760 -0.5270217 -0.0780564 -1.6921779 42 O -1.7319656 0.2548566 -0.4158463 0.2773296 -2.5222814 0.5159594 -0.4460552 0.4933700 -2.0483239 43 O -1.6201145 -0.2536873 -0.4078374 -0.2712276 -2.5805472 -0.6351151 -0.4047908 -0.6001917 -2.0647007 44 O -1.7319656 -0.2548566 -0.4158463 -0.2773296 -2.5222814 -0.5159594 -0.4460552 -0.4933700 -2.0483239 45 O -2.7566494 0.0114203 -0.5623525 -0.0193318 -1.8245045 -0.0512760 -0.5270217 -0.0780564 -1.6921779 46 O -2.7566494 -0.0114203 -0.5623525 0.0193318 -1.8245045 0.0512760 -0.5270217 0.0780564 -1.6921779 47 O -2.7566494 -0.0114203 -0.5623525 0.0193318 -1.8245045 0.0512760 -0.5270217 0.0780564 -1.6921779 48 O -1.6201145 -0.2536873 -0.4078374 -0.2712276 -2.5805472 -0.6351151 -0.4047908 -0.6001917 -2.0647007 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 133), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 133), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.231 Solver_block: 200 / 1440 - Time: 1.008 Solver_block: 300 / 1440 - Time: 1.014 Solver_block: 400 / 1440 - Time: 1.022 Solver_block: 500 / 1440 - Time: 1.020 Solver_block: 600 / 1440 - Time: 1.019 Solver_block: 700 / 1440 - Time: 1.016 Solver_block: 800 / 1440 - Time: 1.006 Solver_block: 900 / 1440 - Time: 1.003 Solver_block: 1000 / 1440 - Time: 1.012 Solver_block: 1100 / 1440 - Time: 1.013 Solver_block: 1200 / 1440 - Time: 1.012 Solver_block: 1300 / 1440 - Time: 1.016 Solver_block: 1400 / 1440 - Time: 1.018 Solver_block: 1440 / 1440 - Time: 0.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.349 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 133 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 133), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 133), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:27:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:27:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.568456640001287 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): 1 Sr 0.03820761077260 0.13516041397842 0.39292707302704 87.620 2 Sr 0.56425277986744 0.37587123761427 0.17510704780701 87.620 3 Sr 0.56425277986744 0.12412876238573 0.67510704780701 87.620 4 Sr 0.43574722013256 0.87587123761427 0.32489295219299 87.620 5 Sr 0.43574722013256 0.62412876238573 0.82489295219299 87.620 6 Sr 0.96179238922740 0.63516041397842 0.10707292697296 87.620 7 Sr 0.02969793322247 0.60927428195871 0.38654230937528 87.620 8 Sr 0.96179238922740 0.86483958602158 0.60707292697296 87.620 9 Sr 0.97030206677753 0.39072571804129 0.61345769062472 87.620 10 Sr 0.03820761077260 0.36483958602158 0.89292707302704 87.620 11 Sr 0.02969793322247 0.89072571804129 0.88654230937528 87.620 12 Sr 0.97030206677753 0.10927428195871 0.11345769062472 87.620 13 B 0.60197455541440 0.27973755171893 0.89369433116490 10.811 14 B 0.59820119980677 0.53111251711970 0.38857747878394 10.811 15 B 0.24028275449433 0.12730024136072 0.79201487786473 10.811 16 B 0.60197455541440 0.22026244828107 0.39369433116489 10.811 17 B 0.59820119980677 0.96888748288030 0.88857747878394 10.811 18 B 0.39802544458560 0.77973755171893 0.60630566883510 10.811 19 B 0.40179880019323 0.03111251711970 0.11142252121606 10.811 20 B 0.40179880019323 0.46888748288030 0.61142252121606 10.811 21 B 0.75971724550567 0.62730024136072 0.70798512213527 10.811 22 B 0.39802544458560 0.72026244828107 0.10630566883511 10.811 23 B 0.24028275449433 0.37269975863928 0.29201487786473 10.811 24 B 0.75971724550567 0.87269975863928 0.20798512213527 10.811 25 N 0.73092039808429 0.37551205713551 0.39904378519914 14.007 26 N 0.35476287948187 0.20775801604755 0.32222044697163 14.007 27 N 0.73092039808429 0.12448794286449 0.89904378519914 14.007 28 N 0.35038109287679 0.96061454291996 0.81817479599197 14.007 29 N 0.64523712051813 0.70775801604755 0.17777955302837 14.007 30 N 0.64961890712321 0.03938545708004 0.18182520400803 14.007 31 N 0.26907960191571 0.62448794286449 0.60095621480086 14.007 32 N 0.64961890712321 0.46061454291996 0.68182520400803 14.007 33 N 0.26907960191571 0.87551205713551 0.10095621480086 14.007 34 N 0.35038109287679 0.53938545708004 0.31817479599197 14.007 35 N 0.64523712051813 0.79224198395245 0.67777955302837 14.007 36 N 0.35476287948187 0.29224198395245 0.82222044697163 14.007 37 O 0.73085571482800 0.08215017258397 0.46112207440392 15.999 38 O 0.26914428517200 0.91784982741603 0.53887792559608 15.999 39 O 0.27473197382156 0.32640530794251 0.55155836508066 15.999 40 O 0.72526802617844 0.82640530794251 0.94844163491934 15.999 41 O 0.00414876336583 0.62868550691125 0.76122860291761 15.999 42 O 0.27473197382156 0.17359469205749 0.05155836508066 15.999 43 O 0.26914428517200 0.58215017258397 0.03887792559608 15.999 44 O 0.72526802617844 0.67359469205749 0.44844163491934 15.999 45 O 0.99585123663417 0.37131449308875 0.23877139708239 15.999 46 O 0.00414876336583 0.87131449308875 0.26122860291761 15.999 47 O 0.99585123663417 0.12868550691125 0.73877139708239 15.999 48 O 0.73085571482800 0.41784982741603 0.96112207440392 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.136913280002574 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): 1 Sr 0.01910380538630 0.13516041397842 0.39292707302704 87.620 > 1 2 Sr 0.51910380538630 0.13516041397842 0.39292707302704 87.620 > 1 3 Sr 0.28212638993372 0.37587123761427 0.17510704780701 87.620 > 3 4 Sr 0.78212638993372 0.37587123761427 0.17510704780701 87.620 > 3 5 Sr 0.28212638993372 0.12412876238573 0.67510704780701 87.620 > 5 6 Sr 0.78212638993372 0.12412876238573 0.67510704780701 87.620 > 5 7 Sr 0.21787361006628 0.87587123761427 0.32489295219299 87.620 > 7 8 Sr 0.71787361006628 0.87587123761427 0.32489295219299 87.620 > 7 9 Sr 0.21787361006628 0.62412876238573 0.82489295219299 87.620 > 9 10 Sr 0.71787361006628 0.62412876238573 0.82489295219299 87.620 > 9 11 Sr 0.48089619461370 0.63516041397842 0.10707292697296 87.620 > 11 12 Sr 0.98089619461370 0.63516041397842 0.10707292697296 87.620 > 11 13 Sr 0.01484896661124 0.60927428195871 0.38654230937528 87.620 > 13 14 Sr 0.51484896661124 0.60927428195871 0.38654230937528 87.620 > 13 15 Sr 0.48089619461370 0.86483958602158 0.60707292697296 87.620 > 15 16 Sr 0.98089619461370 0.86483958602158 0.60707292697296 87.620 > 15 17 Sr 0.48515103338876 0.39072571804129 0.61345769062472 87.620 > 17 18 Sr 0.98515103338876 0.39072571804129 0.61345769062472 87.620 > 17 19 Sr 0.01910380538630 0.36483958602158 0.89292707302704 87.620 > 19 20 Sr 0.51910380538630 0.36483958602158 0.89292707302704 87.620 > 19 21 Sr 0.01484896661124 0.89072571804129 0.88654230937528 87.620 > 21 22 Sr 0.51484896661124 0.89072571804129 0.88654230937528 87.620 > 21 23 Sr 0.48515103338876 0.10927428195871 0.11345769062472 87.620 > 23 24 Sr 0.98515103338876 0.10927428195871 0.11345769062472 87.620 > 23 25 B 0.30098727770720 0.27973755171893 0.89369433116490 10.811 > 25 26 B 0.80098727770720 0.27973755171893 0.89369433116490 10.811 > 25 27 B 0.29910059990339 0.53111251711970 0.38857747878394 10.811 > 27 28 B 0.79910059990339 0.53111251711970 0.38857747878394 10.811 > 27 29 B 0.12014137724717 0.12730024136072 0.79201487786473 10.811 > 29 30 B 0.62014137724717 0.12730024136072 0.79201487786473 10.811 > 29 31 B 0.30098727770720 0.22026244828107 0.39369433116489 10.811 > 31 32 B 0.80098727770720 0.22026244828107 0.39369433116489 10.811 > 31 33 B 0.29910059990339 0.96888748288030 0.88857747878394 10.811 > 33 34 B 0.79910059990339 0.96888748288030 0.88857747878394 10.811 > 33 35 B 0.19901272229280 0.77973755171893 0.60630566883510 10.811 > 35 36 B 0.69901272229280 0.77973755171893 0.60630566883510 10.811 > 35 37 B 0.20089940009661 0.03111251711970 0.11142252121606 10.811 > 37 38 B 0.70089940009661 0.03111251711970 0.11142252121606 10.811 > 37 39 B 0.20089940009661 0.46888748288030 0.61142252121606 10.811 > 39 40 B 0.70089940009661 0.46888748288030 0.61142252121606 10.811 > 39 41 B 0.37985862275283 0.62730024136072 0.70798512213527 10.811 > 41 42 B 0.87985862275283 0.62730024136072 0.70798512213527 10.811 > 41 43 B 0.19901272229280 0.72026244828107 0.10630566883511 10.811 > 43 44 B 0.69901272229280 0.72026244828107 0.10630566883511 10.811 > 43 45 B 0.12014137724717 0.37269975863928 0.29201487786473 10.811 > 45 46 B 0.62014137724717 0.37269975863928 0.29201487786473 10.811 > 45 47 B 0.37985862275283 0.87269975863928 0.20798512213527 10.811 > 47 48 B 0.87985862275283 0.87269975863928 0.20798512213527 10.811 > 47 49 N 0.36546019904214 0.37551205713551 0.39904378519914 14.007 > 49 50 N 0.86546019904214 0.37551205713551 0.39904378519914 14.007 > 49 51 N 0.17738143974094 0.20775801604755 0.32222044697163 14.007 > 51 52 N 0.67738143974094 0.20775801604755 0.32222044697163 14.007 > 51 53 N 0.36546019904214 0.12448794286449 0.89904378519914 14.007 > 53 54 N 0.86546019904214 0.12448794286449 0.89904378519914 14.007 > 53 55 N 0.17519054643839 0.96061454291996 0.81817479599197 14.007 > 55 56 N 0.67519054643839 0.96061454291996 0.81817479599197 14.007 > 55 57 N 0.32261856025906 0.70775801604755 0.17777955302837 14.007 > 57 58 N 0.82261856025906 0.70775801604755 0.17777955302837 14.007 > 57 59 N 0.32480945356161 0.03938545708004 0.18182520400803 14.007 > 59 60 N 0.82480945356161 0.03938545708004 0.18182520400803 14.007 > 59 61 N 0.13453980095786 0.62448794286449 0.60095621480086 14.007 > 61 62 N 0.63453980095786 0.62448794286449 0.60095621480086 14.007 > 61 63 N 0.32480945356161 0.46061454291996 0.68182520400803 14.007 > 63 64 N 0.82480945356161 0.46061454291996 0.68182520400803 14.007 > 63 65 N 0.13453980095786 0.87551205713551 0.10095621480086 14.007 > 65 66 N 0.63453980095786 0.87551205713551 0.10095621480086 14.007 > 65 67 N 0.17519054643839 0.53938545708004 0.31817479599197 14.007 > 67 68 N 0.67519054643839 0.53938545708004 0.31817479599197 14.007 > 67 69 N 0.32261856025906 0.79224198395245 0.67777955302837 14.007 > 69 70 N 0.82261856025906 0.79224198395245 0.67777955302837 14.007 > 69 71 N 0.17738143974094 0.29224198395245 0.82222044697163 14.007 > 71 72 N 0.67738143974094 0.29224198395245 0.82222044697163 14.007 > 71 73 O 0.36542785741400 0.08215017258397 0.46112207440392 15.999 > 73 74 O 0.86542785741400 0.08215017258397 0.46112207440392 15.999 > 73 75 O 0.13457214258600 0.91784982741603 0.53887792559608 15.999 > 75 76 O 0.63457214258600 0.91784982741603 0.53887792559608 15.999 > 75 77 O 0.13736598691078 0.32640530794251 0.55155836508066 15.999 > 77 78 O 0.63736598691078 0.32640530794251 0.55155836508066 15.999 > 77 79 O 0.36263401308922 0.82640530794251 0.94844163491934 15.999 > 79 80 O 0.86263401308922 0.82640530794251 0.94844163491934 15.999 > 79 81 O 0.00207438168292 0.62868550691125 0.76122860291761 15.999 > 81 82 O 0.50207438168292 0.62868550691125 0.76122860291761 15.999 > 81 83 O 0.13736598691078 0.17359469205749 0.05155836508066 15.999 > 83 84 O 0.63736598691078 0.17359469205749 0.05155836508066 15.999 > 83 85 O 0.13457214258600 0.58215017258397 0.03887792559608 15.999 > 85 86 O 0.63457214258600 0.58215017258397 0.03887792559608 15.999 > 85 87 O 0.36263401308922 0.67359469205749 0.44844163491934 15.999 > 87 88 O 0.86263401308922 0.67359469205749 0.44844163491934 15.999 > 87 89 O 0.49792561831708 0.37131449308875 0.23877139708239 15.999 > 89 90 O 0.99792561831708 0.37131449308875 0.23877139708239 15.999 > 89 91 O 0.00207438168292 0.87131449308875 0.26122860291761 15.999 > 91 92 O 0.50207438168292 0.87131449308875 0.26122860291761 15.999 > 91 93 O 0.49792561831708 0.12868550691125 0.73877139708239 15.999 > 93 94 O 0.99792561831708 0.12868550691125 0.73877139708239 15.999 > 93 95 O 0.36542785741400 0.41784982741603 0.96112207440392 15.999 > 95 96 O 0.86542785741400 0.41784982741603 0.96112207440392 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8571848 0.0000000 0.2475877 0.0000000 4.0652850 0.0000000 0.2475861 0.0000000 3.6530154 -------------------------- Born effective charges -------------------------- 1 Sr 2.5766871 0.0959236 0.0248545 -0.0213261 2.5895716 0.1223044 0.0750370 0.1589600 2.6859819 2 Sr 2.2834440 0.0284893 0.0070200 0.0190368 2.8323362 0.0847253 0.0123182 0.0462208 2.2756341 3 Sr 2.2834440 -0.0284893 0.0070200 -0.0190368 2.8323362 -0.0847253 0.0123182 -0.0462208 2.2756341 4 Sr 2.2834440 -0.0284893 0.0070200 -0.0190368 2.8323362 -0.0847253 0.0123182 -0.0462208 2.2756341 5 Sr 2.2834440 0.0284893 0.0070200 0.0190368 2.8323362 0.0847253 0.0123182 0.0462208 2.2756341 6 Sr 2.5766871 -0.0959236 0.0248545 0.0213261 2.5895716 -0.1223044 0.0750370 -0.1589600 2.6859819 7 Sr 2.5581253 -0.0856016 -0.0930188 0.0374490 2.1147549 -0.1066873 -0.0060293 -0.1598084 2.7517678 8 Sr 2.5766871 0.0959236 0.0248545 -0.0213261 2.5895716 0.1223044 0.0750370 0.1589600 2.6859819 9 Sr 2.5581253 -0.0856016 -0.0930188 0.0374490 2.1147549 -0.1066873 -0.0060293 -0.1598084 2.7517678 10 Sr 2.5766871 -0.0959236 0.0248545 0.0213261 2.5895716 -0.1223044 0.0750370 -0.1589600 2.6859819 11 Sr 2.5581253 0.0856016 -0.0930188 -0.0374490 2.1147549 0.1066873 -0.0060293 0.1598084 2.7517678 12 Sr 2.5581253 0.0856016 -0.0930188 -0.0374490 2.1147549 0.1066873 -0.0060293 0.1598084 2.7517678 13 B 1.6815606 -0.1461473 0.9811450 -0.1527706 2.3605608 0.5404695 0.9790049 0.6018003 1.2666023 14 B 1.7194482 -0.0752483 0.9639660 -0.0780220 2.3278613 0.4811191 0.9333894 0.5122712 1.1731149 15 B 2.0871834 0.0030742 1.0893235 -0.0371081 2.4003609 0.0028641 0.8403688 0.0005219 0.5357741 16 B 1.6815606 0.1461473 0.9811450 0.1527706 2.3605608 -0.5404695 0.9790049 -0.6018003 1.2666023 17 B 1.7194482 0.0752483 0.9639660 0.0780220 2.3278613 -0.4811191 0.9333894 -0.5122712 1.1731149 18 B 1.6815606 0.1461473 0.9811450 0.1527706 2.3605608 -0.5404695 0.9790049 -0.6018003 1.2666023 19 B 1.7194482 0.0752483 0.9639660 0.0780220 2.3278613 -0.4811191 0.9333894 -0.5122712 1.1731149 20 B 1.7194482 -0.0752483 0.9639660 -0.0780220 2.3278613 0.4811191 0.9333894 0.5122712 1.1731149 21 B 2.0871834 -0.0030742 1.0893235 0.0371081 2.4003609 -0.0028641 0.8403688 -0.0005219 0.5357741 22 B 1.6815606 -0.1461473 0.9811450 -0.1527706 2.3605608 0.5404695 0.9790049 0.6018003 1.2666023 23 B 2.0871834 -0.0030742 1.0893235 0.0371081 2.4003609 -0.0028641 0.8403688 -0.0005219 0.5357741 24 B 2.0871834 0.0030742 1.0893235 -0.0371081 2.4003609 0.0028641 0.8403688 0.0005219 0.5357741 25 N -1.9834302 -0.0309392 -0.3429351 -0.0239607 -2.7559848 -0.0147455 -0.2382695 0.0002041 -1.7008371 26 N -2.4047148 0.2911520 -0.6469171 0.2831513 -2.4949669 0.1895462 -0.6376731 0.0567709 -1.6193046 27 N -1.9834302 0.0309392 -0.3429351 0.0239607 -2.7559848 0.0147455 -0.2382695 -0.0002041 -1.7008371 28 N -2.4095741 0.2870928 -0.5974018 0.3225359 -2.4471607 0.2023816 -0.5802786 0.0712323 -1.5635309 29 N -2.4047148 -0.2911520 -0.6469171 -0.2831513 -2.4949669 -0.1895462 -0.6376731 -0.0567709 -1.6193046 30 N -2.4095741 0.2870928 -0.5974018 0.3225359 -2.4471607 0.2023816 -0.5802786 0.0712323 -1.5635309 31 N -1.9834302 -0.0309392 -0.3429351 -0.0239607 -2.7559848 -0.0147455 -0.2382695 0.0002041 -1.7008371 32 N -2.4095741 -0.2870928 -0.5974018 -0.3225359 -2.4471607 -0.2023816 -0.5802786 -0.0712323 -1.5635309 33 N -1.9834302 0.0309392 -0.3429351 0.0239607 -2.7559848 0.0147455 -0.2382695 -0.0002041 -1.7008371 34 N -2.4095741 -0.2870928 -0.5974018 -0.3225359 -2.4471607 -0.2023816 -0.5802786 -0.0712323 -1.5635309 35 N -2.4047148 0.2911520 -0.6469171 0.2831513 -2.4949669 0.1895462 -0.6376731 0.0567709 -1.6193046 36 N -2.4047148 -0.2911520 -0.6469171 -0.2831513 -2.4949669 -0.1895462 -0.6376731 -0.0567709 -1.6193046 37 O -1.6201145 0.2536873 -0.4078374 0.2712276 -2.5805472 0.6351151 -0.4047908 0.6001917 -2.0647007 38 O -1.6201145 0.2536873 -0.4078374 0.2712276 -2.5805472 0.6351151 -0.4047908 0.6001917 -2.0647007 39 O -1.7319656 -0.2548566 -0.4158463 -0.2773296 -2.5222814 -0.5159594 -0.4460552 -0.4933700 -2.0483239 40 O -1.7319656 0.2548566 -0.4158463 0.2773296 -2.5222814 0.5159594 -0.4460552 0.4933700 -2.0483239 41 O -2.7566494 0.0114203 -0.5623525 -0.0193318 -1.8245045 -0.0512760 -0.5270217 -0.0780564 -1.6921779 42 O -1.7319656 0.2548566 -0.4158463 0.2773296 -2.5222814 0.5159594 -0.4460552 0.4933700 -2.0483239 43 O -1.6201145 -0.2536873 -0.4078374 -0.2712276 -2.5805472 -0.6351151 -0.4047908 -0.6001917 -2.0647007 44 O -1.7319656 -0.2548566 -0.4158463 -0.2773296 -2.5222814 -0.5159594 -0.4460552 -0.4933700 -2.0483239 45 O -2.7566494 0.0114203 -0.5623525 -0.0193318 -1.8245045 -0.0512760 -0.5270217 -0.0780564 -1.6921779 46 O -2.7566494 -0.0114203 -0.5623525 0.0193318 -1.8245045 0.0512760 -0.5270217 0.0780564 -1.6921779 47 O -2.7566494 -0.0114203 -0.5623525 0.0193318 -1.8245045 0.0512760 -0.5270217 0.0780564 -1.6921779 48 O -1.6201145 -0.2536873 -0.4078374 -0.2712276 -2.5805472 -0.6351151 -0.4047908 -0.6001917 -2.0647007 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 13, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 55, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000088 (xxx) -0.00000088 (xxx) -0.00000088 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000025 (xy) 0.00000025 (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 11:28:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:28:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.568456640001287 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): 1 Sr 0.03820761077260 0.13516041397842 0.39292707302704 87.620 2 Sr 0.56425277986744 0.37587123761427 0.17510704780701 87.620 3 Sr 0.56425277986744 0.12412876238573 0.67510704780701 87.620 4 Sr 0.43574722013256 0.87587123761427 0.32489295219299 87.620 5 Sr 0.43574722013256 0.62412876238573 0.82489295219299 87.620 6 Sr 0.96179238922740 0.63516041397842 0.10707292697296 87.620 7 Sr 0.02969793322247 0.60927428195871 0.38654230937528 87.620 8 Sr 0.96179238922740 0.86483958602158 0.60707292697296 87.620 9 Sr 0.97030206677753 0.39072571804129 0.61345769062472 87.620 10 Sr 0.03820761077260 0.36483958602158 0.89292707302704 87.620 11 Sr 0.02969793322247 0.89072571804129 0.88654230937528 87.620 12 Sr 0.97030206677753 0.10927428195871 0.11345769062472 87.620 13 B 0.60197455541440 0.27973755171893 0.89369433116490 10.811 14 B 0.59820119980677 0.53111251711970 0.38857747878394 10.811 15 B 0.24028275449433 0.12730024136072 0.79201487786473 10.811 16 B 0.60197455541440 0.22026244828107 0.39369433116489 10.811 17 B 0.59820119980677 0.96888748288030 0.88857747878394 10.811 18 B 0.39802544458560 0.77973755171893 0.60630566883510 10.811 19 B 0.40179880019323 0.03111251711970 0.11142252121606 10.811 20 B 0.40179880019323 0.46888748288030 0.61142252121606 10.811 21 B 0.75971724550567 0.62730024136072 0.70798512213527 10.811 22 B 0.39802544458560 0.72026244828107 0.10630566883511 10.811 23 B 0.24028275449433 0.37269975863928 0.29201487786473 10.811 24 B 0.75971724550567 0.87269975863928 0.20798512213527 10.811 25 N 0.73092039808429 0.37551205713551 0.39904378519914 14.007 26 N 0.35476287948187 0.20775801604755 0.32222044697163 14.007 27 N 0.73092039808429 0.12448794286449 0.89904378519914 14.007 28 N 0.35038109287679 0.96061454291996 0.81817479599197 14.007 29 N 0.64523712051813 0.70775801604755 0.17777955302837 14.007 30 N 0.64961890712321 0.03938545708004 0.18182520400803 14.007 31 N 0.26907960191571 0.62448794286449 0.60095621480086 14.007 32 N 0.64961890712321 0.46061454291996 0.68182520400803 14.007 33 N 0.26907960191571 0.87551205713551 0.10095621480086 14.007 34 N 0.35038109287679 0.53938545708004 0.31817479599197 14.007 35 N 0.64523712051813 0.79224198395245 0.67777955302837 14.007 36 N 0.35476287948187 0.29224198395245 0.82222044697163 14.007 37 O 0.73085571482800 0.08215017258397 0.46112207440392 15.999 38 O 0.26914428517200 0.91784982741603 0.53887792559608 15.999 39 O 0.27473197382156 0.32640530794251 0.55155836508066 15.999 40 O 0.72526802617844 0.82640530794251 0.94844163491934 15.999 41 O 0.00414876336583 0.62868550691125 0.76122860291761 15.999 42 O 0.27473197382156 0.17359469205749 0.05155836508066 15.999 43 O 0.26914428517200 0.58215017258397 0.03887792559608 15.999 44 O 0.72526802617844 0.67359469205749 0.44844163491934 15.999 45 O 0.99585123663417 0.37131449308875 0.23877139708239 15.999 46 O 0.00414876336583 0.87131449308875 0.26122860291761 15.999 47 O 0.99585123663417 0.12868550691125 0.73877139708239 15.999 48 O 0.73085571482800 0.41784982741603 0.96112207440392 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.136913280002574 0.000000000000000 0.000000000000000 b 0.000000000000000 7.836155370000000 0.000000000000000 c -6.070037468165729 0.000000000000000 11.749443418132570 Atomic positions (fractional): 1 Sr 0.01910380538630 0.13516041397842 0.39292707302704 87.620 > 1 2 Sr 0.51910380538630 0.13516041397842 0.39292707302704 87.620 > 1 3 Sr 0.28212638993372 0.37587123761427 0.17510704780701 87.620 > 3 4 Sr 0.78212638993372 0.37587123761427 0.17510704780701 87.620 > 3 5 Sr 0.28212638993372 0.12412876238573 0.67510704780701 87.620 > 5 6 Sr 0.78212638993372 0.12412876238573 0.67510704780701 87.620 > 5 7 Sr 0.21787361006628 0.87587123761427 0.32489295219299 87.620 > 7 8 Sr 0.71787361006628 0.87587123761427 0.32489295219299 87.620 > 7 9 Sr 0.21787361006628 0.62412876238573 0.82489295219299 87.620 > 9 10 Sr 0.71787361006628 0.62412876238573 0.82489295219299 87.620 > 9 11 Sr 0.48089619461370 0.63516041397842 0.10707292697296 87.620 > 11 12 Sr 0.98089619461370 0.63516041397842 0.10707292697296 87.620 > 11 13 Sr 0.01484896661124 0.60927428195871 0.38654230937528 87.620 > 13 14 Sr 0.51484896661124 0.60927428195871 0.38654230937528 87.620 > 13 15 Sr 0.48089619461370 0.86483958602158 0.60707292697296 87.620 > 15 16 Sr 0.98089619461370 0.86483958602158 0.60707292697296 87.620 > 15 17 Sr 0.48515103338876 0.39072571804129 0.61345769062472 87.620 > 17 18 Sr 0.98515103338876 0.39072571804129 0.61345769062472 87.620 > 17 19 Sr 0.01910380538630 0.36483958602158 0.89292707302704 87.620 > 19 20 Sr 0.51910380538630 0.36483958602158 0.89292707302704 87.620 > 19 21 Sr 0.01484896661124 0.89072571804129 0.88654230937528 87.620 > 21 22 Sr 0.51484896661124 0.89072571804129 0.88654230937528 87.620 > 21 23 Sr 0.48515103338876 0.10927428195871 0.11345769062472 87.620 > 23 24 Sr 0.98515103338876 0.10927428195871 0.11345769062472 87.620 > 23 25 B 0.30098727770720 0.27973755171893 0.89369433116490 10.811 > 25 26 B 0.80098727770720 0.27973755171893 0.89369433116490 10.811 > 25 27 B 0.29910059990339 0.53111251711970 0.38857747878394 10.811 > 27 28 B 0.79910059990339 0.53111251711970 0.38857747878394 10.811 > 27 29 B 0.12014137724717 0.12730024136072 0.79201487786473 10.811 > 29 30 B 0.62014137724717 0.12730024136072 0.79201487786473 10.811 > 29 31 B 0.30098727770720 0.22026244828107 0.39369433116489 10.811 > 31 32 B 0.80098727770720 0.22026244828107 0.39369433116489 10.811 > 31 33 B 0.29910059990339 0.96888748288030 0.88857747878394 10.811 > 33 34 B 0.79910059990339 0.96888748288030 0.88857747878394 10.811 > 33 35 B 0.19901272229280 0.77973755171893 0.60630566883510 10.811 > 35 36 B 0.69901272229280 0.77973755171893 0.60630566883510 10.811 > 35 37 B 0.20089940009661 0.03111251711970 0.11142252121606 10.811 > 37 38 B 0.70089940009661 0.03111251711970 0.11142252121606 10.811 > 37 39 B 0.20089940009661 0.46888748288030 0.61142252121606 10.811 > 39 40 B 0.70089940009661 0.46888748288030 0.61142252121606 10.811 > 39 41 B 0.37985862275283 0.62730024136072 0.70798512213527 10.811 > 41 42 B 0.87985862275283 0.62730024136072 0.70798512213527 10.811 > 41 43 B 0.19901272229280 0.72026244828107 0.10630566883511 10.811 > 43 44 B 0.69901272229280 0.72026244828107 0.10630566883511 10.811 > 43 45 B 0.12014137724717 0.37269975863928 0.29201487786473 10.811 > 45 46 B 0.62014137724717 0.37269975863928 0.29201487786473 10.811 > 45 47 B 0.37985862275283 0.87269975863928 0.20798512213527 10.811 > 47 48 B 0.87985862275283 0.87269975863928 0.20798512213527 10.811 > 47 49 N 0.36546019904214 0.37551205713551 0.39904378519914 14.007 > 49 50 N 0.86546019904214 0.37551205713551 0.39904378519914 14.007 > 49 51 N 0.17738143974094 0.20775801604755 0.32222044697163 14.007 > 51 52 N 0.67738143974094 0.20775801604755 0.32222044697163 14.007 > 51 53 N 0.36546019904214 0.12448794286449 0.89904378519914 14.007 > 53 54 N 0.86546019904214 0.12448794286449 0.89904378519914 14.007 > 53 55 N 0.17519054643839 0.96061454291996 0.81817479599197 14.007 > 55 56 N 0.67519054643839 0.96061454291996 0.81817479599197 14.007 > 55 57 N 0.32261856025906 0.70775801604755 0.17777955302837 14.007 > 57 58 N 0.82261856025906 0.70775801604755 0.17777955302837 14.007 > 57 59 N 0.32480945356161 0.03938545708004 0.18182520400803 14.007 > 59 60 N 0.82480945356161 0.03938545708004 0.18182520400803 14.007 > 59 61 N 0.13453980095786 0.62448794286449 0.60095621480086 14.007 > 61 62 N 0.63453980095786 0.62448794286449 0.60095621480086 14.007 > 61 63 N 0.32480945356161 0.46061454291996 0.68182520400803 14.007 > 63 64 N 0.82480945356161 0.46061454291996 0.68182520400803 14.007 > 63 65 N 0.13453980095786 0.87551205713551 0.10095621480086 14.007 > 65 66 N 0.63453980095786 0.87551205713551 0.10095621480086 14.007 > 65 67 N 0.17519054643839 0.53938545708004 0.31817479599197 14.007 > 67 68 N 0.67519054643839 0.53938545708004 0.31817479599197 14.007 > 67 69 N 0.32261856025906 0.79224198395245 0.67777955302837 14.007 > 69 70 N 0.82261856025906 0.79224198395245 0.67777955302837 14.007 > 69 71 N 0.17738143974094 0.29224198395245 0.82222044697163 14.007 > 71 72 N 0.67738143974094 0.29224198395245 0.82222044697163 14.007 > 71 73 O 0.36542785741400 0.08215017258397 0.46112207440392 15.999 > 73 74 O 0.86542785741400 0.08215017258397 0.46112207440392 15.999 > 73 75 O 0.13457214258600 0.91784982741603 0.53887792559608 15.999 > 75 76 O 0.63457214258600 0.91784982741603 0.53887792559608 15.999 > 75 77 O 0.13736598691078 0.32640530794251 0.55155836508066 15.999 > 77 78 O 0.63736598691078 0.32640530794251 0.55155836508066 15.999 > 77 79 O 0.36263401308922 0.82640530794251 0.94844163491934 15.999 > 79 80 O 0.86263401308922 0.82640530794251 0.94844163491934 15.999 > 79 81 O 0.00207438168292 0.62868550691125 0.76122860291761 15.999 > 81 82 O 0.50207438168292 0.62868550691125 0.76122860291761 15.999 > 81 83 O 0.13736598691078 0.17359469205749 0.05155836508066 15.999 > 83 84 O 0.63736598691078 0.17359469205749 0.05155836508066 15.999 > 83 85 O 0.13457214258600 0.58215017258397 0.03887792559608 15.999 > 85 86 O 0.63457214258600 0.58215017258397 0.03887792559608 15.999 > 85 87 O 0.36263401308922 0.67359469205749 0.44844163491934 15.999 > 87 88 O 0.86263401308922 0.67359469205749 0.44844163491934 15.999 > 87 89 O 0.49792561831708 0.37131449308875 0.23877139708239 15.999 > 89 90 O 0.99792561831708 0.37131449308875 0.23877139708239 15.999 > 89 91 O 0.00207438168292 0.87131449308875 0.26122860291761 15.999 > 91 92 O 0.50207438168292 0.87131449308875 0.26122860291761 15.999 > 91 93 O 0.49792561831708 0.12868550691125 0.73877139708239 15.999 > 93 94 O 0.99792561831708 0.12868550691125 0.73877139708239 15.999 > 93 95 O 0.36542785741400 0.41784982741603 0.96112207440392 15.999 > 95 96 O 0.86542785741400 0.41784982741603 0.96112207440392 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8571848 0.0000000 0.2475877 0.0000000 4.0652850 0.0000000 0.2475861 0.0000000 3.6530154 -------------------------- Born effective charges -------------------------- 1 Sr 2.5766871 0.0959236 0.0248545 -0.0213261 2.5895716 0.1223044 0.0750370 0.1589600 2.6859819 2 Sr 2.2834440 0.0284893 0.0070200 0.0190368 2.8323362 0.0847253 0.0123182 0.0462208 2.2756341 3 Sr 2.2834440 -0.0284893 0.0070200 -0.0190368 2.8323362 -0.0847253 0.0123182 -0.0462208 2.2756341 4 Sr 2.2834440 -0.0284893 0.0070200 -0.0190368 2.8323362 -0.0847253 0.0123182 -0.0462208 2.2756341 5 Sr 2.2834440 0.0284893 0.0070200 0.0190368 2.8323362 0.0847253 0.0123182 0.0462208 2.2756341 6 Sr 2.5766871 -0.0959236 0.0248545 0.0213261 2.5895716 -0.1223044 0.0750370 -0.1589600 2.6859819 7 Sr 2.5581253 -0.0856016 -0.0930188 0.0374490 2.1147549 -0.1066873 -0.0060293 -0.1598084 2.7517678 8 Sr 2.5766871 0.0959236 0.0248545 -0.0213261 2.5895716 0.1223044 0.0750370 0.1589600 2.6859819 9 Sr 2.5581253 -0.0856016 -0.0930188 0.0374490 2.1147549 -0.1066873 -0.0060293 -0.1598084 2.7517678 10 Sr 2.5766871 -0.0959236 0.0248545 0.0213261 2.5895716 -0.1223044 0.0750370 -0.1589600 2.6859819 11 Sr 2.5581253 0.0856016 -0.0930188 -0.0374490 2.1147549 0.1066873 -0.0060293 0.1598084 2.7517678 12 Sr 2.5581253 0.0856016 -0.0930188 -0.0374490 2.1147549 0.1066873 -0.0060293 0.1598084 2.7517678 13 B 1.6815606 -0.1461473 0.9811450 -0.1527706 2.3605608 0.5404695 0.9790049 0.6018003 1.2666023 14 B 1.7194482 -0.0752483 0.9639660 -0.0780220 2.3278613 0.4811191 0.9333894 0.5122712 1.1731149 15 B 2.0871834 0.0030742 1.0893235 -0.0371081 2.4003609 0.0028641 0.8403688 0.0005219 0.5357741 16 B 1.6815606 0.1461473 0.9811450 0.1527706 2.3605608 -0.5404695 0.9790049 -0.6018003 1.2666023 17 B 1.7194482 0.0752483 0.9639660 0.0780220 2.3278613 -0.4811191 0.9333894 -0.5122712 1.1731149 18 B 1.6815606 0.1461473 0.9811450 0.1527706 2.3605608 -0.5404695 0.9790049 -0.6018003 1.2666023 19 B 1.7194482 0.0752483 0.9639660 0.0780220 2.3278613 -0.4811191 0.9333894 -0.5122712 1.1731149 20 B 1.7194482 -0.0752483 0.9639660 -0.0780220 2.3278613 0.4811191 0.9333894 0.5122712 1.1731149 21 B 2.0871834 -0.0030742 1.0893235 0.0371081 2.4003609 -0.0028641 0.8403688 -0.0005219 0.5357741 22 B 1.6815606 -0.1461473 0.9811450 -0.1527706 2.3605608 0.5404695 0.9790049 0.6018003 1.2666023 23 B 2.0871834 -0.0030742 1.0893235 0.0371081 2.4003609 -0.0028641 0.8403688 -0.0005219 0.5357741 24 B 2.0871834 0.0030742 1.0893235 -0.0371081 2.4003609 0.0028641 0.8403688 0.0005219 0.5357741 25 N -1.9834302 -0.0309392 -0.3429351 -0.0239607 -2.7559848 -0.0147455 -0.2382695 0.0002041 -1.7008371 26 N -2.4047148 0.2911520 -0.6469171 0.2831513 -2.4949669 0.1895462 -0.6376731 0.0567709 -1.6193046 27 N -1.9834302 0.0309392 -0.3429351 0.0239607 -2.7559848 0.0147455 -0.2382695 -0.0002041 -1.7008371 28 N -2.4095741 0.2870928 -0.5974018 0.3225359 -2.4471607 0.2023816 -0.5802786 0.0712323 -1.5635309 29 N -2.4047148 -0.2911520 -0.6469171 -0.2831513 -2.4949669 -0.1895462 -0.6376731 -0.0567709 -1.6193046 30 N -2.4095741 0.2870928 -0.5974018 0.3225359 -2.4471607 0.2023816 -0.5802786 0.0712323 -1.5635309 31 N -1.9834302 -0.0309392 -0.3429351 -0.0239607 -2.7559848 -0.0147455 -0.2382695 0.0002041 -1.7008371 32 N -2.4095741 -0.2870928 -0.5974018 -0.3225359 -2.4471607 -0.2023816 -0.5802786 -0.0712323 -1.5635309 33 N -1.9834302 0.0309392 -0.3429351 0.0239607 -2.7559848 0.0147455 -0.2382695 -0.0002041 -1.7008371 34 N -2.4095741 -0.2870928 -0.5974018 -0.3225359 -2.4471607 -0.2023816 -0.5802786 -0.0712323 -1.5635309 35 N -2.4047148 0.2911520 -0.6469171 0.2831513 -2.4949669 0.1895462 -0.6376731 0.0567709 -1.6193046 36 N -2.4047148 -0.2911520 -0.6469171 -0.2831513 -2.4949669 -0.1895462 -0.6376731 -0.0567709 -1.6193046 37 O -1.6201145 0.2536873 -0.4078374 0.2712276 -2.5805472 0.6351151 -0.4047908 0.6001917 -2.0647007 38 O -1.6201145 0.2536873 -0.4078374 0.2712276 -2.5805472 0.6351151 -0.4047908 0.6001917 -2.0647007 39 O -1.7319656 -0.2548566 -0.4158463 -0.2773296 -2.5222814 -0.5159594 -0.4460552 -0.4933700 -2.0483239 40 O -1.7319656 0.2548566 -0.4158463 0.2773296 -2.5222814 0.5159594 -0.4460552 0.4933700 -2.0483239 41 O -2.7566494 0.0114203 -0.5623525 -0.0193318 -1.8245045 -0.0512760 -0.5270217 -0.0780564 -1.6921779 42 O -1.7319656 0.2548566 -0.4158463 0.2773296 -2.5222814 0.5159594 -0.4460552 0.4933700 -2.0483239 43 O -1.6201145 -0.2536873 -0.4078374 -0.2712276 -2.5805472 -0.6351151 -0.4047908 -0.6001917 -2.0647007 44 O -1.7319656 -0.2548566 -0.4158463 -0.2773296 -2.5222814 -0.5159594 -0.4460552 -0.4933700 -2.0483239 45 O -2.7566494 0.0114203 -0.5623525 -0.0193318 -1.8245045 -0.0512760 -0.5270217 -0.0780564 -1.6921779 46 O -2.7566494 -0.0114203 -0.5623525 0.0193318 -1.8245045 0.0512760 -0.5270217 0.0780564 -1.6921779 47 O -2.7566494 -0.0114203 -0.5623525 0.0193318 -1.8245045 0.0512760 -0.5270217 0.0780564 -1.6921779 48 O -1.6201145 -0.2536873 -0.4078374 -0.2712276 -2.5805472 -0.6351151 -0.4047908 -0.6001917 -2.0647007 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000088 (xxx) -0.00000088 (xxx) -0.00000088 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 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: 0.49, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/76) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.937 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 12.485 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.483 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.483 ( 0.000 0.000 0.000) 0.000 14.492 ( 0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 14.946 ( 0.000 0.000 0.000) 0.000 15.010 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 18.289 ( 0.000 0.000 0.000) 0.000 18.294 ( 0.000 0.000 0.000) 0.000 18.451 ( 0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 18.712 ( 0.000 0.000 0.000) 0.000 18.817 ( 0.000 0.000 0.000) 0.000 18.824 ( 0.000 0.000 0.000) 0.000 20.637 ( 0.000 0.000 0.000) 0.000 20.662 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 20.914 ( 0.000 0.000 0.000) 0.000 21.136 ( 0.000 0.000 0.000) 0.000 21.183 ( 0.000 0.000 0.000) 0.000 21.232 ( 0.000 0.000 0.000) 0.000 21.243 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.413 ( 0.000 0.000 0.000) 0.000 22.417 ( 0.000 0.000 0.000) 0.000 22.469 ( 0.000 0.000 0.000) 0.000 24.067 ( 0.000 0.000 0.000) 0.000 24.070 ( 0.000 0.000 0.000) 0.000 24.112 ( 0.000 0.000 0.000) 0.000 24.117 ( 0.000 0.000 0.000) 0.000 26.996 ( 0.000 0.000 0.000) 0.000 27.136 ( 0.000 0.000 0.000) 0.000 27.203 ( 0.000 0.000 0.000) 0.000 27.256 ( 0.000 0.000 0.000) 0.000 27.330 ( 0.000 0.000 0.000) 0.000 27.368 ( 0.000 0.000 0.000) 0.000 27.387 ( 0.000 0.000 0.000) 0.000 27.423 ( 0.000 0.000 0.000) 0.000 33.740 ( 0.000 0.000 0.000) 0.000 33.819 ( 0.000 0.000 0.000) 0.000 33.827 ( 0.000 0.000 0.000) 0.000 33.876 ( 0.000 0.000 0.000) 0.000 33.916 ( 0.000 0.000 0.000) 0.000 33.927 ( 0.000 0.000 0.000) 0.000 34.101 ( 0.000 0.000 0.000) 0.000 34.422 ( 0.000 0.000 0.000) 0.000 34.594 ( 0.000 0.000 0.000) 0.000 34.597 ( 0.000 0.000 0.000) 0.000 34.652 ( 0.000 0.000 0.000) 0.000 34.812 ( 0.000 0.000 0.000) 0.000 35.631 ( 0.000 0.000 0.000) 0.000 35.681 ( 0.000 0.000 0.000) 0.000 36.016 ( 0.000 0.000 0.000) 0.000 36.038 ( 0.000 0.000 0.000) 0.000 36.781 ( 0.000 0.000 0.000) 0.000 36.848 ( 0.000 0.000 0.000) 0.000 36.887 ( 0.000 0.000 0.000) 0.000 37.073 ( 0.000 0.000 0.000) 0.000 37.488 ( 0.000 0.000 0.000) 0.000 37.559 ( 0.000 0.000 0.000) 0.000 37.732 ( 0.000 0.000 0.000) 0.000 37.776 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/76) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 23.827 0.000 7.938) 25.115 0.614 ( 28.837 0.000 11.443) 31.024 1.259 ( 53.882 0.000 36.087) 64.850 1.425 ( 8.771 0.000 -2.237) 9.052 1.712 ( 9.997 0.000 -5.481) 11.401 2.273 ( -5.166 0.000 -9.592) 10.895 2.388 ( 0.518 0.000 1.335) 1.432 2.727 ( -0.199 0.000 -6.905) 6.908 2.772 ( 0.624 0.000 -2.641) 2.714 2.820 ( -5.397 0.000 1.668) 5.649 2.931 ( 1.080 0.000 1.250) 1.652 3.113 ( -3.229 0.000 0.029) 3.229 3.280 ( 1.566 0.000 0.891) 1.802 3.339 ( 1.809 0.000 2.634) 3.196 3.366 ( 0.883 0.000 1.300) 1.571 3.423 ( 0.421 0.000 -0.429) 0.601 3.456 ( -1.355 0.000 -4.537) 4.735 3.573 ( 0.980 0.000 -2.721) 2.892 3.581 ( -2.106 0.000 6.817) 7.135 3.620 ( -2.401 0.000 -0.460) 2.444 3.721 ( 1.970 0.000 -1.318) 2.370 3.764 ( -0.778 0.000 -0.103) 0.785 3.851 ( -3.904 0.000 4.264) 5.781 4.060 ( -4.716 0.000 -7.086) 8.512 4.081 ( -2.647 0.000 -5.119) 5.763 4.258 ( 9.397 0.000 -22.921) 24.772 4.273 ( 2.753 0.000 4.679) 5.428 4.356 ( 3.531 0.000 6.181) 7.119 4.418 ( -1.241 0.000 -0.281) 1.273 4.708 ( 3.194 0.000 0.272) 3.206 4.723 ( -5.607 0.000 -8.410) 10.108 4.838 ( -5.125 0.000 11.360) 12.462 4.876 ( -9.652 0.000 0.531) 9.667 4.999 ( 3.199 0.000 3.867) 5.019 5.201 ( 5.724 0.000 6.159) 8.408 5.598 ( 1.221 0.000 2.432) 2.721 5.710 ( -0.088 0.000 -0.075) 0.116 5.826 ( 7.404 0.000 3.547) 8.210 5.959 ( -5.491 0.000 -2.680) 6.110 6.052 ( 3.173 0.000 -1.970) 3.735 6.084 ( 4.527 0.000 -8.360) 9.507 6.233 ( -0.963 0.000 7.779) 7.838 6.282 ( -1.314 0.000 5.954) 6.098 6.407 ( 2.315 0.000 2.531) 3.430 6.454 ( 0.121 0.000 1.705) 1.709 6.557 ( 2.248 0.000 0.198) 2.257 6.564 ( -1.293 0.000 -2.201) 2.552 6.595 ( 0.083 0.000 1.750) 1.752 6.608 ( -1.472 0.000 -1.292) 1.959 6.654 ( -0.362 0.000 0.700) 0.788 6.807 ( -1.178 0.000 -1.864) 2.205 6.911 ( 3.712 0.000 -0.641) 3.767 7.157 ( 3.653 0.000 -0.911) 3.765 7.270 ( -1.071 0.000 -1.755) 2.056 7.389 ( -2.703 0.000 0.865) 2.838 7.435 ( 0.823 0.000 2.940) 3.053 7.537 ( -7.053 0.000 -0.380) 7.063 7.602 ( -0.466 0.000 -3.504) 3.535 7.693 ( -0.888 0.000 0.178) 0.905 7.832 ( -6.588 0.000 -6.597) 9.323 7.837 ( -1.641 0.000 2.390) 2.899 7.862 ( 1.545 0.000 -5.591) 5.801 7.937 ( -1.330 0.000 1.002) 1.665 8.060 ( -1.988 0.000 1.526) 2.506 8.234 ( 0.146 0.000 0.929) 0.941 8.316 ( 4.284 0.000 -4.030) 5.882 8.904 ( -3.079 0.000 3.556) 4.704 9.214 ( -7.981 0.000 -3.496) 8.713 9.322 ( 3.023 0.000 -9.185) 9.670 9.475 ( -1.770 0.000 -0.050) 1.771 9.988 ( -11.242 0.000 4.063) 11.954 10.000 ( -0.288 0.000 7.667) 7.673 12.515 ( 1.964 0.000 1.065) 2.234 12.612 ( 1.309 0.000 -1.293) 1.840 12.742 ( 0.526 0.000 0.877) 1.022 12.812 ( 0.529 0.000 -0.143) 0.548 13.132 ( 0.937 0.000 1.235) 1.550 13.194 ( -2.481 0.000 -1.985) 3.177 13.470 ( -0.588 0.000 -1.805) 1.899 13.507 ( 1.185 0.000 3.688) 3.874 14.423 ( -1.993 0.000 -0.414) 2.036 14.445 ( -0.604 0.000 -0.006) 0.604 14.482 ( -0.058 0.000 0.178) 0.187 14.507 ( 0.683 0.000 0.179) 0.706 14.923 ( 0.933 0.000 2.851) 3.000 14.960 ( 2.259 0.000 -0.941) 2.447 15.101 ( -0.172 0.000 -1.660) 1.669 15.117 ( 7.681 0.000 2.064) 7.954 18.287 ( -0.467 0.000 0.092) 0.476 18.291 ( -0.369 0.000 -0.015) 0.369 18.439 ( -1.138 0.000 0.267) 1.169 18.459 ( -1.052 0.000 0.080) 1.055 18.658 ( -1.142 0.000 -0.488) 1.242 18.680 ( -1.617 0.000 -1.613) 2.284 18.811 ( -1.199 0.000 1.474) 1.900 18.821 ( -1.465 0.000 0.691) 1.620 20.638 ( 0.095 0.000 0.102) 0.139 20.663 ( 0.104 0.000 0.135) 0.171 20.890 ( 0.208 0.000 -0.002) 0.208 20.914 ( 0.063 0.000 -0.200) 0.209 21.140 ( 0.276 0.000 0.507) 0.578 21.180 ( -0.585 0.000 0.412) 0.715 21.227 ( 0.159 0.000 -1.608) 1.616 21.245 ( -0.011 0.000 0.491) 0.491 22.128 ( -1.547 0.000 3.143) 3.503 22.371 ( -3.381 0.000 0.603) 3.434 22.415 ( 0.060 0.000 0.377) 0.382 22.524 ( 2.701 0.000 2.128) 3.438 24.061 ( -0.210 0.000 -0.684) 0.715 24.067 ( -0.645 0.000 0.815) 1.040 24.123 ( 0.527 0.000 0.317) 0.615 24.131 ( 1.718 0.000 0.117) 1.722 27.133 ( -0.590 0.000 0.506) 0.777 27.148 ( -4.345 0.000 -1.157) 4.496 27.260 ( 0.832 0.000 -2.285) 2.432 27.313 ( -0.848 0.000 0.537) 1.004 27.346 ( 1.493 0.000 0.635) 1.622 27.392 ( 0.319 0.000 0.148) 0.352 27.419 ( -0.348 0.000 -0.011) 0.348 27.557 ( -2.317 0.000 1.242) 2.628 33.728 ( -2.803 0.000 1.888) 3.379 33.744 ( -6.618 0.000 -1.294) 6.743 33.871 ( -0.940 0.000 0.019) 0.940 33.893 ( 0.284 0.000 0.775) 0.826 33.904 ( -0.605 0.000 -0.470) 0.766 33.940 ( 0.963 0.000 -0.583) 1.126 34.311 ( -6.250 0.000 -5.513) 8.335 34.431 ( 0.308 0.000 4.963) 4.972 34.580 ( 0.784 0.000 -1.518) 1.708 34.688 ( -3.280 0.000 -2.798) 4.311 34.780 ( 6.866 0.000 3.782) 7.839 34.862 ( 1.837 0.000 0.669) 1.955 35.724 ( 5.342 0.000 0.559) 5.372 35.733 ( 10.783 0.000 0.410) 10.791 36.076 ( 6.236 0.000 0.531) 6.259 36.119 ( 3.218 0.000 -8.296) 8.898 36.776 ( -0.523 0.000 -0.060) 0.526 36.841 ( -0.723 0.000 -0.186) 0.747 36.884 ( -0.400 0.000 0.078) 0.407 37.209 ( -21.137 0.000 4.404) 21.591 37.677 ( 3.951 0.000 -6.446) 7.560 37.678 ( -2.660 0.000 -0.341) 2.682 37.803 ( 11.067 0.000 -14.025) 17.866 39.775 ( -15.672 0.000 23.544) 28.283 ======================= Grid point 2 (3/76) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 23.068 0.000 8.887) 24.721 1.150 ( 23.848 0.000 7.762) 25.079 1.585 ( 13.182 0.000 -4.139) 13.816 1.838 ( 9.910 0.000 -13.097) 16.423 2.138 ( 4.159 0.000 -6.716) 7.900 2.395 ( 28.203 0.000 13.777) 31.389 2.447 ( 18.016 0.000 22.199) 28.590 2.647 ( -4.254 0.000 -4.299) 6.048 2.753 ( -0.034 0.000 -2.421) 2.421 2.793 ( 0.567 0.000 3.256) 3.305 2.970 ( 2.618 0.000 0.947) 2.784 3.053 ( -4.317 0.000 1.828) 4.688 3.275 ( -2.040 0.000 -2.563) 3.276 3.345 ( -0.859 0.000 0.639) 1.071 3.370 ( -5.545 0.000 -1.113) 5.656 3.405 ( 1.845 0.000 1.777) 2.561 3.476 ( 1.061 0.000 4.219) 4.350 3.522 ( -1.411 0.000 -7.157) 7.295 3.589 ( -3.592 0.000 5.950) 6.950 3.604 ( 0.707 0.000 0.423) 0.824 3.693 ( -3.349 0.000 -2.935) 4.453 3.732 ( -2.896 0.000 -0.190) 2.902 3.853 ( -1.693 0.000 3.697) 4.066 3.979 ( 1.871 0.000 -2.181) 2.873 4.038 ( 1.051 0.000 -0.678) 1.251 4.163 ( 7.430 0.000 -28.017) 28.985 4.344 ( 1.308 0.000 -0.297) 1.341 4.408 ( 1.619 0.000 -1.505) 2.211 4.493 ( 1.991 0.000 11.038) 11.216 4.547 ( -8.137 0.000 0.128) 8.138 4.556 ( -8.757 0.000 -5.875) 10.545 4.719 ( -3.810 0.000 -8.001) 8.862 5.048 ( 5.637 0.000 14.235) 15.310 5.060 ( 0.681 0.000 0.786) 1.040 5.301 ( 1.012 0.000 2.927) 3.096 5.643 ( 1.500 0.000 3.200) 3.535 5.728 ( 1.442 0.000 2.075) 2.527 5.858 ( -3.282 0.000 -1.366) 3.555 5.961 ( 3.402 0.000 1.343) 3.657 6.038 ( -0.609 0.000 -6.026) 6.057 6.109 ( 6.816 0.000 -6.225) 9.231 6.236 ( -3.402 0.000 3.234) 4.694 6.338 ( -1.481 0.000 6.538) 6.704 6.494 ( -1.273 0.000 1.817) 2.219 6.505 ( 1.695 0.000 3.021) 3.463 6.512 ( 4.175 0.000 -1.801) 4.546 6.559 ( -2.372 0.000 2.096) 3.166 6.577 ( 0.424 0.000 -0.381) 0.570 6.645 ( 2.703 0.000 4.076) 4.891 6.652 ( 0.543 0.000 -1.128) 1.252 6.791 ( 2.173 0.000 -2.236) 3.118 6.971 ( 3.518 0.000 -1.779) 3.942 7.197 ( 1.124 0.000 -0.698) 1.323 7.224 ( -1.418 0.000 -0.410) 1.476 7.377 ( -5.442 0.000 1.089) 5.549 7.407 ( -1.140 0.000 -2.773) 2.999 7.459 ( -0.335 0.000 -2.660) 2.681 7.537 ( -1.145 0.000 -5.047) 5.175 7.644 ( -7.696 0.000 -5.461) 9.436 7.692 ( 0.476 0.000 -0.148) 0.499 7.811 ( -5.143 0.000 4.231) 6.659 7.855 ( 0.242 0.000 0.283) 0.372 7.929 ( -0.898 0.000 3.389) 3.506 8.019 ( -3.957 0.000 1.035) 4.090 8.254 ( 1.500 0.000 1.351) 2.018 8.273 ( -3.379 0.000 -7.388) 8.124 8.964 ( -16.898 0.000 -3.486) 17.254 8.974 ( 3.360 0.000 11.052) 11.552 9.297 ( 0.189 0.000 -2.258) 2.266 9.421 ( -4.206 0.000 -0.973) 4.317 9.820 ( -7.617 0.000 -3.895) 8.555 10.038 ( -3.385 0.000 7.641) 8.357 12.572 ( 3.321 0.000 1.279) 3.559 12.626 ( 2.073 0.000 -1.888) 2.803 12.765 ( 0.774 0.000 1.432) 1.628 12.817 ( 0.213 0.000 -0.558) 0.597 13.139 ( -1.635 0.000 -1.532) 2.240 13.159 ( 0.414 0.000 1.356) 1.418 13.438 ( -0.569 0.000 -2.520) 2.584 13.556 ( 0.979 0.000 2.402) 2.594 14.391 ( -1.494 0.000 0.334) 1.531 14.423 ( -1.823 0.000 -0.274) 1.843 14.486 ( 0.295 0.000 0.176) 0.344 14.510 ( -0.219 0.000 -0.523) 0.567 14.996 ( 1.547 0.000 -1.359) 2.059 15.001 ( 3.924 0.000 3.701) 5.394 15.100 ( 3.392 0.000 -1.326) 3.642 15.252 ( 6.048 0.000 0.555) 6.073 18.276 ( -0.615 0.000 0.079) 0.620 18.283 ( -0.394 0.000 -0.202) 0.443 18.422 ( -2.780 0.000 -0.485) 2.823 18.429 ( -1.293 0.000 1.160) 1.737 18.619 ( -1.850 0.000 -0.332) 1.880 18.657 ( -0.610 0.000 0.254) 0.660 18.774 ( -3.798 0.000 -0.904) 3.905 18.799 ( -2.324 0.000 1.549) 2.793 20.641 ( 0.126 0.000 0.145) 0.192 20.667 ( 0.140 0.000 0.187) 0.233 20.895 ( 0.307 0.000 0.012) 0.308 20.913 ( 0.104 0.000 -0.289) 0.307 21.156 ( 0.794 0.000 1.018) 1.291 21.171 ( -0.951 0.000 0.567) 1.107 21.211 ( -0.153 0.000 -1.991) 1.997 21.251 ( -0.036 0.000 0.866) 0.866 22.131 ( -0.510 0.000 1.490) 1.575 22.331 ( -2.434 0.000 1.598) 2.912 22.421 ( 0.155 0.000 0.620) 0.639 22.561 ( -0.839 0.000 1.572) 1.782 24.050 ( -0.266 0.000 -0.816) 0.859 24.065 ( -0.498 0.000 0.963) 1.084 24.138 ( 0.773 0.000 0.396) 0.868 24.157 ( 0.948 0.000 -0.064) 0.951 27.078 ( -1.434 0.000 -1.739) 2.255 27.125 ( -0.827 0.000 0.501) 0.967 27.242 ( -0.114 0.000 -2.803) 2.805 27.304 ( -0.382 0.000 0.245) 0.454 27.377 ( 0.865 0.000 -0.024) 0.865 27.405 ( 1.471 0.000 0.949) 1.750 27.412 ( -0.259 0.000 -0.293) 0.392 27.520 ( -1.836 0.000 -1.359) 2.284 33.614 ( -6.904 0.000 -0.938) 6.968 33.661 ( -6.395 0.000 1.012) 6.474 33.864 ( 0.462 0.000 0.458) 0.651 33.897 ( 0.073 0.000 -0.241) 0.252 33.901 ( 0.143 0.000 0.468) 0.490 33.932 ( -0.971 0.000 -1.201) 1.544 34.171 ( -3.406 0.000 -6.939) 7.730 34.505 ( 3.077 0.000 2.860) 4.200 34.591 ( 1.227 0.000 0.071) 1.229 34.633 ( -2.733 0.000 2.972) 4.038 34.879 ( 2.114 0.000 -2.856) 3.553 34.895 ( 4.245 0.000 0.667) 4.297 35.874 ( 10.136 0.000 2.320) 10.398 35.944 ( 12.278 0.000 -1.994) 12.439 36.097 ( 1.006 0.000 -2.956) 3.123 36.217 ( 8.383 0.000 2.038) 8.627 36.764 ( -0.514 0.000 -0.375) 0.636 36.823 ( -0.867 0.000 -0.591) 1.049 36.879 ( -0.204 0.000 0.139) 0.247 36.956 ( -9.964 0.000 2.159) 10.195 37.613 ( -4.586 0.000 0.098) 4.587 37.627 ( -3.763 0.000 -1.854) 4.195 37.832 ( 10.503 0.000 -23.295) 25.553 39.696 ( -9.921 0.000 8.766) 13.239 ======================= Grid point 3 (4/76) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 18.560 0.000 8.414) 20.378 1.528 ( 13.627 0.000 2.133) 13.793 1.783 ( 14.110 0.000 -4.229) 14.731 1.804 ( 7.830 0.000 -15.770) 17.607 2.327 ( 11.832 0.000 5.552) 13.070 2.498 ( 3.162 0.000 5.589) 6.421 2.535 ( -6.008 0.000 0.622) 6.040 2.727 ( -2.322 0.000 0.176) 2.329 2.879 ( 6.678 0.000 2.022) 6.977 2.979 ( -1.678 0.000 1.585) 2.308 3.035 ( 4.474 0.000 -0.524) 4.505 3.083 ( -2.740 0.000 1.825) 3.292 3.217 ( -7.541 0.000 -4.424) 8.743 3.332 ( -1.950 0.000 1.400) 2.401 3.366 ( 13.018 0.000 8.891) 15.764 3.416 ( -1.395 0.000 0.924) 1.673 3.474 ( -6.322 0.000 3.576) 7.263 3.512 ( 7.759 0.000 0.607) 7.782 3.585 ( 0.096 0.000 1.244) 1.248 3.596 ( -0.449 0.000 0.547) 0.708 3.600 ( -3.689 0.000 -2.149) 4.269 3.728 ( 2.398 0.000 3.114) 3.931 3.813 ( -4.127 0.000 0.421) 4.149 4.044 ( 8.351 0.000 -16.423) 18.425 4.053 ( 0.491 0.000 -3.019) 3.058 4.103 ( 7.776 0.000 -5.006) 9.248 4.262 ( -3.766 0.000 -5.923) 7.019 4.371 ( -7.371 0.000 -3.875) 8.328 4.419 ( 0.570 0.000 -0.587) 0.818 4.518 ( -2.718 0.000 7.405) 7.888 4.595 ( -1.525 0.000 9.639) 9.759 4.651 ( 3.467 0.000 -4.957) 6.049 5.056 ( 0.757 0.000 -0.653) 1.000 5.212 ( 1.177 0.000 7.960) 8.047 5.305 ( -0.830 0.000 2.137) 2.292 5.694 ( 0.238 0.000 2.898) 2.907 5.782 ( 1.036 0.000 3.400) 3.555 5.841 ( 2.268 0.000 -0.463) 2.315 5.962 ( -1.223 0.000 -5.754) 5.883 5.992 ( 1.494 0.000 1.462) 2.091 6.130 ( -1.585 0.000 -2.961) 3.358 6.233 ( 1.071 0.000 0.832) 1.356 6.253 ( -7.301 0.000 -1.853) 7.532 6.464 ( 0.015 0.000 0.871) 0.871 6.520 ( -1.132 0.000 1.090) 1.572 6.580 ( 0.265 0.000 4.472) 4.479 6.592 ( 2.076 0.000 -2.445) 3.207 6.635 ( 1.554 0.000 -0.140) 1.560 6.687 ( 8.803 0.000 -1.552) 8.939 6.732 ( 3.133 0.000 4.051) 5.121 6.842 ( 5.150 0.000 -1.699) 5.422 7.002 ( 2.201 0.000 -0.016) 2.201 7.174 ( -2.763 0.000 -0.885) 2.901 7.179 ( -6.370 0.000 0.898) 6.433 7.281 ( -0.096 0.000 -4.180) 4.181 7.320 ( -4.816 0.000 -12.481) 13.378 7.401 ( -0.492 0.000 -2.265) 2.318 7.507 ( -3.786 0.000 -2.234) 4.396 7.558 ( 2.950 0.000 1.795) 3.453 7.708 ( 0.365 0.000 -0.426) 0.561 7.714 ( -7.837 0.000 0.921) 7.891 7.854 ( -1.519 0.000 0.631) 1.645 7.948 ( -5.430 0.000 1.319) 5.588 7.969 ( -2.068 0.000 4.536) 4.985 8.176 ( 1.800 0.000 -0.671) 1.921 8.314 ( 3.407 0.000 2.029) 3.965 8.643 ( -16.523 0.000 -1.587) 16.599 9.112 ( -2.598 0.000 10.393) 10.713 9.296 ( 0.692 0.000 0.605) 0.919 9.346 ( -0.896 0.000 -0.742) 1.163 9.672 ( -5.153 0.000 -5.271) 7.372 10.032 ( -3.058 0.000 4.590) 5.515 12.642 ( 3.366 0.000 1.374) 3.635 12.651 ( 2.611 0.000 -1.520) 3.021 12.782 ( -0.202 0.000 1.109) 1.128 12.804 ( -0.983 0.000 -1.159) 1.520 13.121 ( 0.335 0.000 -0.236) 0.410 13.161 ( -0.948 0.000 0.442) 1.046 13.418 ( 0.467 0.000 -1.688) 1.751 13.576 ( -0.320 0.000 0.945) 0.998 14.382 ( -0.370 0.000 1.042) 1.106 14.383 ( -2.207 0.000 -0.575) 2.281 14.496 ( -0.564 0.000 -0.826) 1.000 14.496 ( 0.693 0.000 0.406) 0.803 14.964 ( -1.476 0.000 -3.677) 3.962 15.088 ( 2.753 0.000 1.891) 3.340 15.205 ( 6.986 0.000 1.778) 7.208 15.324 ( 2.642 0.000 -0.424) 2.676 18.275 ( 0.392 0.000 0.351) 0.526 18.279 ( 0.263 0.000 -0.297) 0.397 18.371 ( -2.889 0.000 -0.033) 2.889 18.398 ( -2.725 0.000 -0.036) 2.725 18.619 ( 0.555 0.000 2.216) 2.285 18.639 ( -1.840 0.000 -0.345) 1.872 18.700 ( -3.245 0.000 -0.872) 3.360 18.754 ( -3.413 0.000 -0.309) 3.427 20.644 ( 0.094 0.000 0.116) 0.150 20.670 ( 0.103 0.000 0.143) 0.176 20.900 ( 0.259 0.000 0.027) 0.261 20.913 ( 0.100 0.000 -0.237) 0.257 21.160 ( -0.829 0.000 0.623) 1.037 21.182 ( 1.035 0.000 1.119) 1.524 21.189 ( -0.367 0.000 -1.907) 1.942 21.258 ( -0.075 0.000 0.889) 0.892 22.137 ( -0.067 0.000 0.843) 0.846 22.318 ( -1.019 0.000 2.444) 2.648 22.430 ( 0.198 0.000 0.582) 0.614 22.518 ( -3.975 0.000 -1.421) 4.221 24.040 ( -0.190 0.000 -0.608) 0.637 24.067 ( -0.105 0.000 0.892) 0.898 24.154 ( 0.657 0.000 0.290) 0.718 24.158 ( -0.237 0.000 -0.818) 0.852 27.081 ( 1.915 0.000 0.444) 1.966 27.112 ( -0.899 0.000 -0.040) 0.900 27.214 ( -0.077 0.000 -2.576) 2.577 27.308 ( 0.274 0.000 0.731) 0.780 27.375 ( -0.243 0.000 -0.590) 0.638 27.406 ( -0.046 0.000 -0.594) 0.596 27.453 ( 2.326 0.000 1.386) 2.708 27.480 ( -1.297 0.000 -1.274) 1.818 33.511 ( -4.470 0.000 -0.150) 4.472 33.559 ( -5.539 0.000 0.154) 5.541 33.873 ( -0.009 0.000 -0.322) 0.323 33.892 ( -2.040 0.000 -1.630) 2.612 33.910 ( 0.579 0.000 0.291) 0.648 33.915 ( 1.384 0.000 1.744) 2.226 34.083 ( -0.931 0.000 -4.964) 5.050 34.532 ( 0.107 0.000 -1.356) 1.360 34.620 ( 1.283 0.000 0.995) 1.624 34.649 ( -1.110 0.000 4.097) 4.245 34.924 ( 5.224 0.000 0.445) 5.243 34.943 ( 2.226 0.000 -1.210) 2.534 35.979 ( 0.433 0.000 -8.844) 8.855 36.073 ( 10.190 0.000 2.125) 10.409 36.195 ( 6.467 0.000 4.062) 7.637 36.338 ( 2.137 0.000 1.815) 2.804 36.758 ( 0.299 0.000 -0.376) 0.480 36.812 ( -0.390 0.000 0.097) 0.402 36.882 ( 0.604 0.000 0.078) 0.609 36.963 ( 5.158 0.000 10.057) 11.302 37.535 ( -4.506 0.000 0.174) 4.510 37.543 ( -4.132 0.000 -1.119) 4.281 37.745 ( 4.638 0.000 -25.760) 26.174 39.607 ( -6.548 0.000 3.471) 7.411 ======================= Grid point 4 (5/76) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.565 0.000 -3.748) 4.061 1.669 ( 7.726 0.000 4.130) 8.760 1.919 ( 9.271 0.000 -2.517) 9.606 1.953 ( 7.554 0.000 -2.070) 7.833 2.417 ( -2.967 0.000 0.708) 3.051 2.543 ( 1.230 0.000 5.829) 5.957 2.627 ( 4.573 0.000 6.133) 7.650 2.667 ( -3.679 0.000 0.189) 3.684 2.955 ( -1.848 0.000 0.550) 1.928 2.995 ( -1.824 0.000 -4.305) 4.675 3.025 ( -7.131 0.000 -3.694) 8.031 3.033 ( 8.800 0.000 -3.921) 9.634 3.110 ( 4.489 0.000 4.312) 6.225 3.311 ( -2.789 0.000 2.100) 3.491 3.347 ( -7.384 0.000 -2.087) 7.673 3.382 ( -0.751 0.000 -0.542) 0.927 3.433 ( -0.180 0.000 -1.358) 1.369 3.551 ( -0.282 0.000 -1.150) 1.184 3.584 ( 1.189 0.000 -0.589) 1.327 3.586 ( -1.220 0.000 0.345) 1.268 3.732 ( 3.581 0.000 4.538) 5.781 3.760 ( -1.116 0.000 -0.801) 1.374 3.833 ( -0.718 0.000 5.065) 5.115 4.026 ( 4.481 0.000 -9.493) 10.498 4.036 ( 3.095 0.000 -2.026) 3.699 4.177 ( -1.894 0.000 -3.247) 3.759 4.218 ( 2.022 0.000 3.988) 4.471 4.257 ( -0.928 0.000 -3.644) 3.760 4.422 ( 0.124 0.000 -0.098) 0.158 4.540 ( 0.208 0.000 1.708) 1.720 4.610 ( -2.759 0.000 3.953) 4.820 4.694 ( 1.878 0.000 0.509) 1.946 5.114 ( 3.865 0.000 1.395) 4.109 5.206 ( -2.397 0.000 0.814) 2.531 5.367 ( 1.750 0.000 3.373) 3.800 5.693 ( -1.058 0.000 0.506) 1.173 5.794 ( -0.969 0.000 0.602) 1.141 5.882 ( 1.858 0.000 -0.611) 1.956 5.908 ( -0.919 0.000 -2.325) 2.500 6.059 ( -3.465 0.000 -0.284) 3.476 6.093 ( 6.182 0.000 4.968) 7.931 6.182 ( -0.558 0.000 0.569) 0.797 6.218 ( -2.339 0.000 -3.047) 3.841 6.482 ( 0.672 0.000 0.766) 1.019 6.510 ( -0.611 0.000 0.385) 0.722 6.587 ( -0.207 0.000 -1.541) 1.555 6.589 ( -1.635 0.000 1.297) 2.087 6.630 ( 0.194 0.000 -2.079) 2.088 6.813 ( 3.346 0.000 -0.117) 3.348 6.844 ( 10.194 0.000 -1.750) 10.343 6.911 ( 3.342 0.000 -0.089) 3.343 7.026 ( -5.558 0.000 0.773) 5.612 7.090 ( -0.249 0.000 3.289) 3.299 7.114 ( -4.003 0.000 3.171) 5.107 7.155 ( -2.192 0.000 -9.288) 9.543 7.251 ( -0.768 0.000 -4.606) 4.670 7.385 ( 2.732 0.000 0.354) 2.755 7.456 ( -0.933 0.000 -0.738) 1.190 7.524 ( -9.968 0.000 -2.282) 10.226 7.645 ( 3.713 0.000 2.276) 4.355 7.753 ( 2.134 0.000 0.419) 2.175 7.811 ( -2.200 0.000 -1.965) 2.950 7.875 ( -3.808 0.000 1.476) 4.084 7.920 ( -3.015 0.000 0.365) 3.037 8.315 ( 6.743 0.000 3.408) 7.556 8.379 ( 1.201 0.000 2.461) 2.738 8.430 ( -6.047 0.000 -1.582) 6.251 9.042 ( -6.730 0.000 1.417) 6.877 9.325 ( 1.068 0.000 1.392) 1.755 9.393 ( 1.982 0.000 2.116) 2.899 9.563 ( -2.614 0.000 -3.103) 4.058 10.024 ( -1.024 0.000 1.486) 1.805 12.679 ( 1.460 0.000 -0.641) 1.595 12.703 ( 2.330 0.000 1.151) 2.598 12.768 ( -1.646 0.000 -1.191) 2.031 12.780 ( -0.553 0.000 0.411) 0.689 13.135 ( 0.713 0.000 0.235) 0.751 13.148 ( -0.555 0.000 0.084) 0.561 13.417 ( 0.369 0.000 -0.581) 0.689 13.569 ( -0.554 0.000 0.084) 0.560 14.350 ( -0.983 0.000 -0.294) 1.026 14.389 ( 0.088 0.000 0.646) 0.652 14.482 ( -0.238 0.000 -0.407) 0.472 14.512 ( 0.511 0.000 0.348) 0.618 14.913 ( -0.891 0.000 -2.042) 2.228 15.123 ( 0.637 0.000 0.260) 0.688 15.315 ( 3.266 0.000 1.197) 3.478 15.346 ( 0.623 0.000 -0.242) 0.668 18.284 ( 0.483 0.000 -0.340) 0.590 18.299 ( 1.908 0.000 0.598) 2.000 18.329 ( -1.662 0.000 0.074) 1.663 18.350 ( -2.654 0.000 -0.312) 2.672 18.617 ( -0.092 0.000 0.685) 0.691 18.648 ( -2.106 0.000 -1.212) 2.430 18.650 ( 0.613 0.000 1.271) 1.411 18.698 ( -1.849 0.000 -0.664) 1.964 20.646 ( 0.033 0.000 0.043) 0.055 20.673 ( 0.035 0.000 0.050) 0.061 20.903 ( 0.100 0.000 0.016) 0.101 20.912 ( 0.042 0.000 -0.089) 0.098 21.157 ( -0.302 0.000 0.771) 0.828 21.169 ( -0.223 0.000 -1.297) 1.316 21.204 ( 0.506 0.000 0.489) 0.704 21.262 ( -0.065 0.000 0.389) 0.395 22.142 ( 0.031 0.000 0.290) 0.291 22.340 ( 0.690 0.000 2.743) 2.829 22.430 ( -3.072 0.000 -2.892) 4.219 22.437 ( 0.093 0.000 0.237) 0.255 24.034 ( -0.069 0.000 -0.219) 0.229 24.077 ( 0.232 0.000 0.591) 0.635 24.143 ( -0.405 0.000 -0.708) 0.816 24.164 ( 0.252 0.000 0.100) 0.271 27.099 ( -0.448 0.000 -0.167) 0.478 27.115 ( 0.740 0.000 0.720) 1.033 27.202 ( 0.458 0.000 -0.976) 1.078 27.321 ( 0.338 0.000 0.563) 0.657 27.367 ( -0.158 0.000 -0.297) 0.336 27.399 ( -0.081 0.000 -0.518) 0.524 27.458 ( -0.398 0.000 -0.328) 0.516 27.494 ( 1.066 0.000 0.652) 1.249 33.462 ( -1.424 0.000 0.128) 1.430 33.493 ( -2.067 0.000 0.010) 2.067 33.851 ( -1.006 0.000 -0.848) 1.316 33.868 ( -0.108 0.000 -0.231) 0.255 33.924 ( 0.499 0.000 0.293) 0.578 33.951 ( 0.817 0.000 1.076) 1.351 34.045 ( -0.268 0.000 -1.753) 1.773 34.521 ( -0.128 0.000 -0.515) 0.531 34.641 ( 0.373 0.000 0.525) 0.644 34.644 ( -0.857 0.000 0.166) 0.873 34.962 ( 1.037 0.000 -0.672) 1.236 35.025 ( 3.257 0.000 2.130) 3.892 35.908 ( -0.907 0.000 -4.048) 4.149 36.234 ( 7.001 0.000 0.993) 7.071 36.293 ( 2.080 0.000 1.363) 2.487 36.327 ( -3.368 0.000 -0.086) 3.369 36.764 ( 0.407 0.000 -0.054) 0.411 36.807 ( -0.191 0.000 0.079) 0.207 36.897 ( 0.733 0.000 0.031) 0.734 37.238 ( 8.152 0.000 20.863) 22.399 37.477 ( -2.015 0.000 0.053) 2.015 37.482 ( -1.604 0.000 -1.868) 2.462 37.544 ( -2.227 0.000 -23.972) 24.075 39.548 ( -2.350 0.000 0.910) 2.520 ======================= Grid point 9 (6/76) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 21.445 0.000) 21.445 0.797 ( 0.000 37.820 0.000) 37.820 1.050 ( 0.000 39.304 0.000) 39.304 1.618 ( 0.000 -2.690 0.000) 2.690 1.657 ( 0.000 18.592 0.000) 18.592 2.242 ( 0.000 -8.099 0.000) 8.099 2.498 ( 0.000 9.188 0.000) 9.188 2.749 ( 0.000 0.482 0.000) 0.482 2.812 ( 0.000 1.233 0.000) 1.233 2.985 ( 0.000 -0.412 0.000) 0.412 3.084 ( 0.000 -9.196 0.000) 9.196 3.086 ( 0.000 -4.713 0.000) 4.713 3.186 ( 0.000 14.524 0.000) 14.524 3.232 ( 0.000 -1.244 0.000) 1.244 3.309 ( 0.000 -12.431 0.000) 12.431 3.335 ( 0.000 1.840 0.000) 1.840 3.478 ( 0.000 -0.205 0.000) 0.205 3.483 ( 0.000 -6.896 0.000) 6.896 3.724 ( 0.000 11.543 0.000) 11.543 3.812 ( 0.000 17.956 0.000) 17.956 3.834 ( 0.000 5.958 0.000) 5.958 3.860 ( 0.000 5.917 0.000) 5.917 3.969 ( 0.000 5.206 0.000) 5.206 4.007 ( 0.000 -6.227 0.000) 6.227 4.032 ( 0.000 -8.070 0.000) 8.070 4.244 ( 0.000 -4.017 0.000) 4.017 4.270 ( 0.000 4.892 0.000) 4.892 4.392 ( 0.000 -3.894 0.000) 3.894 4.457 ( 0.000 7.815 0.000) 7.815 4.612 ( 0.000 1.014 0.000) 1.014 4.808 ( 0.000 0.766 0.000) 0.766 4.815 ( 0.000 -3.034 0.000) 3.034 4.995 ( 0.000 -0.241 0.000) 0.241 5.078 ( 0.000 4.675 0.000) 4.675 5.128 ( 0.000 3.865 0.000) 3.865 5.545 ( 0.000 -2.275 0.000) 2.275 5.641 ( 0.000 -5.402 0.000) 5.402 5.778 ( 0.000 1.681 0.000) 1.681 5.970 ( 0.000 -2.903 0.000) 2.903 6.016 ( 0.000 -2.832 0.000) 2.832 6.072 ( 0.000 0.082 0.000) 0.082 6.078 ( 0.000 -4.205 0.000) 4.205 6.392 ( 0.000 7.136 0.000) 7.136 6.450 ( 0.000 7.209 0.000) 7.209 6.451 ( 0.000 -0.141 0.000) 0.141 6.556 ( 0.000 -0.130 0.000) 0.130 6.562 ( 0.000 2.521 0.000) 2.521 6.650 ( 0.000 3.293 0.000) 3.293 6.694 ( 0.000 3.687 0.000) 3.687 6.748 ( 0.000 0.775 0.000) 0.775 6.877 ( 0.000 4.373 0.000) 4.373 6.912 ( 0.000 1.538 0.000) 1.538 7.233 ( 0.000 4.056 0.000) 4.056 7.264 ( 0.000 4.238 0.000) 4.238 7.406 ( 0.000 -1.746 0.000) 1.746 7.460 ( 0.000 2.399 0.000) 2.399 7.514 ( 0.000 -6.470 0.000) 6.470 7.679 ( 0.000 4.088 0.000) 4.088 7.709 ( 0.000 3.603 0.000) 3.603 7.733 ( 0.000 2.420 0.000) 2.420 7.859 ( 0.000 0.246 0.000) 0.246 7.951 ( 0.000 3.164 0.000) 3.164 7.959 ( 0.000 1.589 0.000) 1.589 8.105 ( 0.000 2.144 0.000) 2.144 8.206 ( 0.000 -1.556 0.000) 1.556 8.237 ( 0.000 -3.260 0.000) 3.260 8.815 ( 0.000 -11.131 0.000) 11.131 9.105 ( 0.000 -16.133 0.000) 16.133 9.441 ( 0.000 -4.122 0.000) 4.122 9.515 ( 0.000 -0.711 0.000) 0.711 9.791 ( 0.000 -13.510 0.000) 13.510 9.911 ( 0.000 -6.675 0.000) 6.675 12.481 ( 0.000 0.006 0.000) 0.006 12.624 ( 0.000 1.039 0.000) 1.039 12.780 ( 0.000 -1.887 0.000) 1.887 12.825 ( 0.000 0.379 0.000) 0.379 13.086 ( 0.000 -2.301 0.000) 2.301 13.155 ( 0.000 -6.140 0.000) 6.140 13.332 ( 0.000 -3.183 0.000) 3.183 13.449 ( 0.000 -5.152 0.000) 5.152 14.566 ( 0.000 9.652 0.000) 9.652 14.593 ( 0.000 9.856 0.000) 9.856 14.627 ( 0.000 11.843 0.000) 11.843 14.635 ( 0.000 15.665 0.000) 15.665 14.935 ( 0.000 -0.304 0.000) 0.304 14.955 ( 0.000 2.833 0.000) 2.833 14.998 ( 0.000 -0.955 0.000) 0.955 15.092 ( 0.000 -1.689 0.000) 1.689 18.267 ( 0.000 -3.102 0.000) 3.102 18.355 ( 0.000 4.254 0.000) 4.254 18.391 ( 0.000 -5.542 0.000) 5.542 18.426 ( 0.000 -6.053 0.000) 6.053 18.535 ( 0.000 -10.915 0.000) 10.915 18.608 ( 0.000 -7.681 0.000) 7.681 18.735 ( 0.000 -6.175 0.000) 6.175 18.747 ( 0.000 -5.270 0.000) 5.270 20.682 ( 0.000 1.790 0.000) 1.790 20.715 ( 0.000 1.480 0.000) 1.480 20.875 ( 0.000 -1.235 0.000) 1.235 20.903 ( 0.000 -1.078 0.000) 1.078 21.140 ( 0.000 0.359 0.000) 0.359 21.182 ( 0.000 -0.154 0.000) 0.154 21.233 ( 0.000 0.022 0.000) 0.022 21.242 ( 0.000 -0.075 0.000) 0.075 22.135 ( 0.000 1.072 0.000) 1.072 22.377 ( 0.000 -2.850 0.000) 2.850 22.421 ( 0.000 -0.290 0.000) 0.290 22.453 ( 0.000 -1.310 0.000) 1.310 24.061 ( 0.000 -0.361 0.000) 0.361 24.064 ( 0.000 -0.560 0.000) 0.560 24.124 ( 0.000 0.896 0.000) 0.896 24.125 ( 0.000 0.684 0.000) 0.684 26.977 ( 0.000 -1.345 0.000) 1.345 27.103 ( 0.000 -2.835 0.000) 2.835 27.132 ( 0.000 -3.812 0.000) 3.812 27.198 ( 0.000 -4.783 0.000) 4.783 27.453 ( 0.000 5.776 0.000) 5.776 27.474 ( 0.000 4.359 0.000) 4.359 27.501 ( 0.000 8.764 0.000) 8.764 27.727 ( 0.000 4.264 0.000) 4.264 33.747 ( 0.000 0.654 0.000) 0.654 33.831 ( 0.000 0.500 0.000) 0.500 33.873 ( 0.000 0.800 0.000) 0.800 33.884 ( 0.000 0.951 0.000) 0.951 33.919 ( 0.000 0.220 0.000) 0.220 34.042 ( 0.000 1.402 0.000) 1.402 34.087 ( 0.000 -1.358 0.000) 1.358 34.358 ( 0.000 -4.776 0.000) 4.776 34.647 ( 0.000 3.295 0.000) 3.295 34.729 ( 0.000 7.702 0.000) 7.702 34.844 ( 0.000 2.379 0.000) 2.379 35.074 ( 0.000 1.192 0.000) 1.192 35.613 ( 0.000 -1.715 0.000) 1.715 35.655 ( 0.000 -2.382 0.000) 2.382 36.030 ( 0.000 -0.711 0.000) 0.711 36.031 ( 0.000 -0.443 0.000) 0.443 36.805 ( 0.000 2.093 0.000) 2.093 36.956 ( 0.000 5.424 0.000) 5.424 37.065 ( 0.000 -0.718 0.000) 0.718 37.405 ( 0.000 -7.544 0.000) 7.544 37.539 ( 0.000 0.508 0.000) 0.508 37.641 ( 0.000 -0.699 0.000) 0.699 38.023 ( 0.000 14.885 0.000) 14.885 39.398 ( 0.000 -8.884 0.000) 8.884 ======================= Grid point 10 (7/76) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 6.134 16.094 16.310) 23.721 0.969 ( 22.208 20.696 13.402) 33.183 1.499 ( 15.962 4.943 2.631) 16.915 1.714 ( 23.310 13.593 5.844) 27.609 1.764 ( 14.959 20.874 1.762) 25.741 2.255 ( 1.134 -4.943 0.728) 5.124 2.414 ( -5.096 8.065 -7.910) 12.393 2.637 ( -3.805 -5.546 -10.725) 12.659 2.808 ( -0.101 -0.143 -0.487) 0.517 2.940 ( -1.070 7.712 0.834) 7.831 3.051 ( 0.429 -6.876 -3.935) 7.934 3.113 ( -1.980 -6.829 4.584) 8.460 3.168 ( -0.798 12.637 1.628) 12.767 3.295 ( 3.224 -1.299 1.073) 3.638 3.356 ( 0.065 -8.072 4.433) 9.209 3.363 ( 2.587 2.301 -0.684) 3.529 3.472 ( -1.128 1.504 0.540) 1.956 3.530 ( 4.863 -4.545 -0.688) 6.691 3.679 ( -5.039 8.725 -2.521) 10.386 3.744 ( -3.954 8.443 2.760) 9.723 3.828 ( -2.908 8.909 -1.091) 9.435 3.860 ( -0.907 5.535 3.037) 6.379 3.970 ( -0.154 7.520 0.627) 7.548 4.002 ( 1.116 2.120 -1.478) 2.815 4.087 ( 3.860 -8.283 -1.035) 9.196 4.191 ( -1.916 2.630 -3.572) 4.832 4.276 ( 0.803 -1.494 -9.399) 9.551 4.380 ( 3.342 1.281 -0.794) 3.666 4.412 ( 0.055 -0.895 -2.974) 3.106 4.658 ( -2.100 2.124 -10.019) 10.455 4.744 ( 0.909 0.494 9.781) 9.835 4.844 ( -2.783 -0.693 -1.138) 3.086 4.957 ( -3.308 2.332 -0.577) 4.089 5.032 ( 0.877 4.020 2.287) 4.707 5.197 ( 0.225 -0.226 5.126) 5.136 5.583 ( 1.445 -0.514 1.296) 2.008 5.675 ( 3.551 -6.191 3.100) 7.781 5.798 ( 1.945 0.566 1.456) 2.494 5.939 ( -5.229 -0.954 0.331) 5.326 6.029 ( 2.956 -1.638 -1.626) 3.750 6.053 ( 2.616 -2.752 -5.200) 6.438 6.122 ( 1.507 -5.950 4.979) 7.904 6.385 ( -2.775 6.449 4.513) 8.346 6.441 ( 0.014 0.844 1.508) 1.728 6.485 ( 2.841 5.380 0.190) 6.088 6.569 ( 0.897 0.620 1.338) 1.726 6.575 ( 0.733 1.513 1.653) 2.358 6.643 ( -0.250 4.146 -1.548) 4.433 6.685 ( -2.169 3.153 -0.689) 3.889 6.723 ( -2.562 5.168 -0.430) 5.784 6.886 ( 0.402 5.198 -0.759) 5.268 6.935 ( 3.432 1.876 -0.898) 4.013 7.197 ( -1.545 3.728 -1.320) 4.246 7.278 ( 0.549 0.651 0.776) 1.152 7.407 ( -1.833 0.489 1.871) 2.664 7.422 ( -1.786 0.871 -0.493) 2.047 7.516 ( -2.563 -2.523 1.859) 4.049 7.673 ( -1.898 3.352 -2.889) 4.815 7.704 ( -0.619 2.333 -0.403) 2.447 7.762 ( 1.649 -0.504 3.349) 3.767 7.867 ( -1.591 1.580 -2.421) 3.300 7.893 ( -2.347 1.468 -0.604) 2.833 7.946 ( -1.303 4.296 0.289) 4.499 8.100 ( -1.547 2.704 0.401) 3.141 8.219 ( 1.348 -1.956 -0.209) 2.385 8.264 ( 3.231 -4.198 -3.058) 6.117 8.770 ( -3.340 -11.716 1.822) 12.318 9.089 ( -1.507 -17.718 -8.460) 19.692 9.296 ( -11.069 3.364 -4.057) 12.259 9.434 ( -1.665 -3.893 -0.038) 4.234 9.834 ( 0.491 -13.255 6.592) 14.812 9.880 ( -6.258 -8.550 0.490) 10.607 12.502 ( 1.943 -0.292 0.919) 2.169 12.631 ( 1.369 0.701 -1.882) 2.430 12.767 ( -0.680 -0.488 0.745) 1.121 12.822 ( 0.298 0.019 -0.371) 0.477 13.114 ( 1.042 -1.479 1.173) 2.156 13.145 ( -0.726 -3.955 -0.618) 4.068 13.382 ( 2.118 -6.682 2.148) 7.331 13.429 ( -0.698 -5.368 -0.762) 5.467 14.556 ( -0.029 8.977 1.296) 9.071 14.587 ( -2.236 13.568 -1.227) 13.805 14.647 ( 0.227 12.808 0.585) 12.823 14.649 ( 0.712 12.191 1.550) 12.310 14.906 ( -0.019 1.339 0.161) 1.349 14.954 ( 2.653 -0.475 -0.518) 2.745 15.083 ( -0.469 -1.397 -1.330) 1.985 15.097 ( 5.930 -1.324 1.922) 6.373 18.273 ( 0.205 -2.879 0.257) 2.897 18.322 ( -1.158 -0.007 -1.472) 1.873 18.414 ( 0.321 -1.042 1.990) 2.269 18.428 ( -0.228 -4.736 0.707) 4.794 18.525 ( -1.518 -11.215 -0.427) 11.326 18.573 ( -2.125 -7.979 -1.951) 8.484 18.722 ( -2.077 -6.980 0.877) 7.335 18.737 ( -1.783 -5.615 0.498) 5.912 20.677 ( -0.632 2.061 -0.294) 2.176 20.697 ( -0.492 2.760 -0.165) 2.809 20.876 ( 0.178 -1.288 -0.103) 1.304 20.904 ( 0.151 -0.975 -0.072) 0.989 21.144 ( 0.248 0.318 0.448) 0.603 21.179 ( -0.388 -0.103 0.170) 0.436 21.227 ( -0.097 0.003 -1.100) 1.104 21.244 ( -0.060 -0.140 0.404) 0.432 22.137 ( -0.605 0.939 1.482) 1.855 22.351 ( -2.695 -1.893 0.844) 3.400 22.412 ( -0.265 -0.291 0.177) 0.432 22.492 ( 2.132 -2.618 1.097) 3.550 24.056 ( -0.295 -0.355 -0.097) 0.472 24.063 ( -0.386 -0.336 0.291) 0.589 24.131 ( 0.514 0.580 0.241) 0.811 24.136 ( 1.307 0.512 -0.152) 1.412 27.076 ( -2.320 -4.156 -1.098) 4.885 27.108 ( 2.859 -5.023 2.833) 6.437 27.118 ( 3.517 -4.934 1.893) 6.348 27.212 ( 1.486 -3.850 -1.575) 4.417 27.451 ( -0.434 6.048 0.265) 6.069 27.463 ( -0.996 6.162 -0.140) 6.244 27.509 ( 0.916 7.666 -0.132) 7.721 27.682 ( -2.798 6.323 -2.229) 7.265 33.735 ( -2.872 0.768 1.757) 3.453 33.769 ( -6.714 1.469 -1.381) 7.011 33.867 ( 0.712 0.771 0.871) 1.364 33.903 ( -0.667 0.282 -0.278) 0.776 33.917 ( 0.634 0.338 0.298) 0.778 33.973 ( -1.802 2.281 -1.792) 3.415 34.187 ( 2.452 -8.213 4.530) 9.695 34.289 ( -3.200 -4.419 -3.167) 6.309 34.639 ( -0.687 4.790 0.059) 4.840 34.691 ( -2.771 4.403 -3.297) 6.159 34.871 ( 2.753 4.213 2.031) 5.427 35.040 ( -0.646 6.445 -1.521) 6.654 35.694 ( 7.460 -2.612 -0.032) 7.904 35.696 ( 6.715 -2.528 0.687) 7.207 36.056 ( 3.804 -1.311 -0.417) 4.045 36.091 ( 4.934 -1.116 -1.934) 5.415 36.804 ( 0.102 2.479 0.074) 2.482 36.952 ( -0.505 5.090 0.374) 5.129 37.067 ( 0.309 8.537 -1.438) 8.663 37.196 ( -16.326 0.408 3.507) 16.703 37.618 ( -3.092 -0.362 1.097) 3.300 37.687 ( 15.947 -5.021 -15.412) 22.739 37.958 ( -5.353 14.115 -2.935) 15.378 39.446 ( -4.611 -18.932 12.516) 23.159 ======================= Grid point 11 (8/76) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 14.644 5.653 14.729) 21.525 1.510 ( 25.366 13.984 10.431) 30.786 1.626 ( 12.299 2.492 -7.585) 14.663 1.880 ( 5.681 2.393 -8.068) 10.154 2.226 ( 2.149 9.129 -4.793) 10.532 2.329 ( 4.406 -5.560 -1.448) 7.240 2.526 ( 17.974 0.621 11.551) 21.375 2.578 ( 15.226 4.598 6.047) 17.016 2.799 ( 1.239 -0.712 2.606) 2.972 2.984 ( 3.940 10.597 2.649) 11.612 3.031 ( 1.149 -4.805 -2.796) 5.677 3.072 ( -5.339 8.938 2.114) 10.624 3.233 ( 3.689 -1.267 1.732) 4.268 3.305 ( -1.960 -1.001 -0.869) 2.367 3.329 ( -3.299 -2.131 -0.607) 3.974 3.385 ( -2.000 0.713 2.192) 3.051 3.465 ( -0.150 3.024 1.256) 3.278 3.536 ( -6.505 4.375 -4.903) 9.246 3.598 ( 2.893 1.305 -3.049) 4.401 3.669 ( -4.548 -0.045 -2.225) 5.063 3.773 ( -4.664 5.516 4.024) 8.268 3.896 ( -0.345 7.666 5.119) 9.225 3.964 ( -3.947 10.441 -0.767) 11.189 4.028 ( 2.170 0.123 -0.887) 2.347 4.055 ( 2.262 3.868 0.565) 4.516 4.172 ( 7.231 3.666 -21.157) 22.657 4.222 ( 1.505 -3.977 -2.523) 4.945 4.408 ( 1.314 -0.878 -0.196) 1.592 4.478 ( 1.804 -0.461 7.960) 8.175 4.543 ( -1.688 2.962 -5.441) 6.421 4.656 ( -6.099 7.535 -3.263) 10.228 4.840 ( -5.298 4.775 -4.132) 8.243 4.965 ( 6.311 -4.531 6.122) 9.891 5.083 ( -3.160 2.044 4.838) 6.129 5.231 ( 1.655 -6.403 2.765) 7.168 5.623 ( 2.063 -1.105 2.422) 3.367 5.770 ( 3.247 0.540 2.961) 4.428 5.817 ( -2.257 -4.979 -1.468) 5.660 5.880 ( -0.754 -0.018 2.040) 2.175 6.041 ( 2.194 -2.216 -5.628) 6.434 6.083 ( 4.961 -3.001 -2.321) 6.246 6.194 ( 0.545 -3.346 4.582) 5.700 6.379 ( -3.778 2.644 4.842) 6.686 6.453 ( 0.013 -0.744 -1.722) 1.876 6.545 ( 2.542 3.637 1.114) 4.575 6.568 ( -3.403 0.576 1.826) 3.905 6.589 ( -0.475 4.486 0.041) 4.512 6.639 ( 0.735 4.226 0.472) 4.316 6.661 ( 0.331 2.235 -0.732) 2.375 6.684 ( 2.056 3.365 2.878) 4.882 6.885 ( 1.223 6.796 -2.212) 7.250 6.996 ( 4.503 2.774 -2.201) 5.728 7.160 ( -1.948 -2.653 0.292) 3.304 7.279 ( -0.064 3.106 -1.400) 3.408 7.333 ( -6.889 -0.872 0.837) 6.995 7.424 ( 0.972 1.557 -1.967) 2.691 7.505 ( 0.310 2.143 0.568) 2.239 7.590 ( -3.632 3.966 -6.908) 8.754 7.649 ( -4.111 1.568 -1.540) 4.662 7.764 ( -3.179 3.439 -2.189) 5.169 7.806 ( -1.303 2.585 4.681) 5.504 7.917 ( 0.432 -0.651 3.324) 3.414 7.925 ( -0.619 5.731 1.341) 5.918 8.050 ( -4.612 2.344 0.294) 5.182 8.219 ( -2.338 -4.054 -5.975) 7.589 8.253 ( 1.512 -1.019 0.139) 1.829 8.788 ( -7.118 -12.823 -0.264) 14.669 8.859 ( -6.129 -12.813 2.393) 14.404 9.223 ( -0.262 -4.518 0.920) 4.619 9.388 ( -3.757 -3.249 -0.564) 4.998 9.731 ( -7.057 -7.897 -4.539) 11.523 9.889 ( -2.215 -12.792 7.210) 14.850 12.555 ( 2.873 -0.901 1.099) 3.206 12.639 ( 2.007 0.607 -2.155) 3.007 12.775 ( -0.034 -0.792 1.618) 1.801 12.829 ( 0.689 0.136 -0.340) 0.781 13.121 ( -0.850 -1.264 -1.087) 1.872 13.128 ( -0.129 -2.034 0.283) 2.058 13.380 ( -0.532 -4.934 -1.925) 5.323 13.459 ( 1.411 -7.781 2.418) 8.269 14.541 ( -2.031 12.400 -0.811) 12.592 14.574 ( 0.005 10.637 1.719) 10.775 14.634 ( -0.839 11.424 -0.631) 11.472 14.642 ( -1.744 14.870 -0.570) 14.983 14.964 ( 4.092 -1.641 2.564) 5.100 15.018 ( 3.274 1.410 0.231) 3.572 15.064 ( 1.833 -2.805 -1.373) 3.621 15.200 ( 4.518 -3.682 0.093) 5.830 18.269 ( -0.307 -2.323 0.194) 2.351 18.316 ( 0.588 0.140 -0.166) 0.627 18.405 ( -2.277 -2.189 -0.318) 3.174 18.435 ( -0.490 0.026 1.325) 1.413 18.489 ( -1.582 -10.788 0.418) 10.911 18.526 ( -1.814 -10.530 -0.979) 10.730 18.669 ( -4.330 -7.557 -0.465) 8.722 18.699 ( -3.308 -7.234 0.723) 7.987 20.666 ( -0.253 2.073 -0.106) 2.091 20.696 ( 0.068 2.550 0.292) 2.567 20.879 ( 0.214 -1.436 -0.189) 1.464 20.907 ( 0.253 -0.711 -0.019) 0.755 21.157 ( 0.648 0.104 0.799) 1.034 21.172 ( -0.732 0.027 0.399) 0.834 21.212 ( -0.232 0.080 -1.618) 1.636 21.248 ( -0.050 -0.272 0.759) 0.808 22.140 ( -0.380 0.867 1.147) 1.487 22.318 ( -2.233 -1.166 1.617) 2.994 22.413 ( 0.045 -0.679 0.431) 0.806 22.516 ( -0.540 -3.660 0.394) 3.721 24.050 ( -0.237 -0.056 -0.544) 0.596 24.059 ( -0.483 -0.438 0.755) 0.998 24.144 ( 0.727 0.478 0.291) 0.917 24.156 ( 0.980 0.024 -0.339) 1.037 27.037 ( -0.185 -2.659 -1.099) 2.883 27.101 ( -0.743 -1.712 0.078) 1.868 27.205 ( 0.521 -3.844 -2.536) 4.634 27.242 ( 3.681 -5.997 2.711) 7.541 27.442 ( -0.756 8.003 0.362) 8.046 27.448 ( -0.543 5.506 -0.012) 5.532 27.529 ( 1.459 7.507 0.214) 7.650 27.618 ( -2.077 6.870 -2.518) 7.606 33.632 ( -6.986 1.762 -0.988) 7.272 33.673 ( -6.137 1.291 0.717) 6.313 33.867 ( 0.262 0.120 0.559) 0.629 33.900 ( -0.483 0.449 0.098) 0.667 33.923 ( -0.000 1.515 0.395) 1.566 33.949 ( -0.102 0.755 -1.124) 1.358 34.129 ( -4.384 -3.395 -5.396) 7.737 34.344 ( 3.364 -13.166 6.693) 15.148 34.607 ( -1.900 4.937 -2.371) 5.797 34.648 ( 0.177 3.500 0.836) 3.603 34.939 ( 3.332 5.328 -1.552) 6.473 35.035 ( 1.625 6.842 -0.350) 7.041 35.824 ( 8.481 -4.086 1.524) 9.537 35.878 ( 10.806 -4.602 -1.595) 11.852 36.090 ( 2.153 -0.315 -0.659) 2.273 36.197 ( 7.018 -1.723 0.916) 7.285 36.809 ( 0.355 3.781 -0.363) 3.815 36.940 ( -2.236 2.714 1.188) 3.712 37.020 ( -4.001 10.419 1.282) 11.234 37.055 ( -1.064 13.271 -0.033) 13.313 37.561 ( -4.425 -0.429 0.735) 4.506 37.753 ( 9.123 -6.990 -20.719) 23.693 37.820 ( -6.319 12.560 -2.040) 14.207 39.430 ( -6.777 -21.314 7.259) 23.514 ======================= Grid point 12 (9/76) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 16.778 0.972 13.326) 21.448 1.785 ( 4.043 1.451 -10.949) 11.761 1.834 ( 13.373 6.722 -8.724) 17.324 1.935 ( 16.664 11.444 0.762) 20.230 2.254 ( 0.689 -12.022 1.691) 12.160 2.456 ( 5.374 4.123 7.149) 9.848 2.623 ( 4.680 -0.454 5.687) 7.379 2.775 ( 2.810 -0.950 -1.696) 3.417 2.945 ( -5.926 9.992 3.114) 12.027 2.983 ( 1.836 1.561 -3.267) 4.060 3.066 ( 3.375 7.038 -0.130) 7.807 3.165 ( -4.648 -4.816 0.300) 6.700 3.203 ( -2.590 0.295 4.914) 5.562 3.276 ( 3.353 4.618 -0.340) 5.717 3.350 ( -0.109 -0.503 -2.159) 2.220 3.381 ( -0.759 -2.534 -2.748) 3.814 3.437 ( 3.642 1.161 8.376) 9.207 3.502 ( 2.529 5.200 1.505) 5.975 3.528 ( -1.414 0.419 -3.241) 3.561 3.637 ( -0.151 1.287 -1.010) 1.643 3.730 ( -5.187 4.155 3.273) 7.408 3.871 ( -3.070 6.912 -1.072) 7.639 3.892 ( -2.962 3.030 0.065) 4.238 4.058 ( 3.061 2.495 0.833) 4.036 4.103 ( 9.269 2.641 -21.215) 23.301 4.202 ( 7.103 4.755 -1.547) 8.687 4.226 ( 1.475 7.298 2.861) 7.976 4.371 ( -6.500 6.836 -3.187) 9.957 4.463 ( 1.112 0.776 -0.128) 1.362 4.583 ( -1.036 2.885 4.301) 5.282 4.638 ( 1.773 2.422 4.981) 5.816 4.747 ( -1.086 7.787 -1.246) 7.960 4.980 ( -3.887 -4.159 0.256) 5.698 5.164 ( 5.463 -4.339 6.586) 9.594 5.274 ( 0.043 -3.468 2.297) 4.161 5.685 ( 1.246 -1.187 2.917) 3.387 5.740 ( -2.068 -1.771 -0.676) 2.805 5.832 ( -0.038 -6.475 -0.552) 6.499 5.925 ( 4.267 4.237 3.395) 6.906 6.001 ( -1.429 -1.685 -5.341) 5.780 6.135 ( 0.707 -1.555 -3.335) 3.747 6.195 ( -2.698 -1.168 3.154) 4.312 6.288 ( -5.197 1.995 -1.256) 5.707 6.450 ( 1.307 -1.466 -1.379) 2.400 6.518 ( -2.149 0.135 0.487) 2.207 6.602 ( 2.631 2.088 0.172) 3.363 6.618 ( 0.682 3.181 3.023) 4.441 6.645 ( 1.138 1.259 0.251) 1.715 6.709 ( 5.968 1.617 -0.577) 6.210 6.801 ( 4.458 3.603 3.987) 6.982 6.895 ( 2.953 4.533 -2.527) 5.971 7.039 ( 2.697 3.829 -0.648) 4.728 7.139 ( -0.755 -2.643 -0.834) 2.873 7.207 ( -7.774 1.726 -0.368) 7.972 7.255 ( -0.569 -0.780 -3.826) 3.946 7.374 ( -2.589 3.914 -8.368) 9.594 7.441 ( -3.064 4.480 -5.413) 7.665 7.536 ( -1.292 -0.665 0.400) 1.507 7.574 ( -2.010 4.904 1.466) 5.499 7.725 ( -2.883 0.280 0.864) 3.022 7.771 ( -3.897 3.929 -0.560) 5.562 7.914 ( -0.950 4.885 -0.860) 5.050 7.946 ( -4.907 2.478 0.959) 5.580 8.022 ( 0.962 2.627 6.285) 6.880 8.136 ( 0.578 -2.510 -0.546) 2.633 8.300 ( 2.921 -1.650 0.566) 3.402 8.504 ( -14.478 -10.858 -1.058) 18.128 8.964 ( -0.359 -13.628 9.589) 16.667 9.245 ( 1.158 -4.640 2.034) 5.197 9.307 ( -3.360 -2.996 -1.515) 4.750 9.582 ( -5.236 -8.057 -5.329) 10.988 9.897 ( -2.392 -12.100 4.434) 13.107 12.611 ( 2.905 -1.919 0.473) 3.514 12.662 ( 1.877 0.368 -0.801) 2.074 12.786 ( -0.061 -0.641 1.003) 1.192 12.827 ( -0.717 0.963 -0.859) 1.476 13.106 ( 0.250 -0.994 -0.447) 1.118 13.125 ( -0.265 -2.721 0.191) 2.740 13.359 ( -0.096 -4.853 -1.709) 5.146 13.487 ( 0.039 -7.429 1.094) 7.509 14.503 ( -1.550 9.598 -0.864) 9.761 14.568 ( -1.953 14.899 0.302) 15.030 14.605 ( -0.810 11.622 -0.888) 11.684 14.634 ( 0.788 11.964 0.746) 12.013 14.988 ( -1.067 2.194 -2.865) 3.763 15.070 ( 3.581 -1.618 2.079) 4.446 15.167 ( 6.311 -2.878 1.895) 7.190 15.247 ( 1.824 -5.726 -0.732) 6.054 18.282 ( 1.206 -1.570 1.017) 2.226 18.308 ( -1.282 0.123 -0.902) 1.572 18.371 ( -0.724 -0.395 0.105) 0.832 18.418 ( -1.350 0.188 -0.521) 1.459 18.481 ( -2.372 -13.032 -0.596) 13.260 18.499 ( 0.214 -8.846 2.449) 9.181 18.590 ( -4.003 -7.712 -0.609) 8.710 18.633 ( -4.342 -9.245 -0.592) 10.231 20.664 ( -0.026 1.789 0.011) 1.790 20.700 ( 0.057 2.574 0.260) 2.588 20.880 ( 0.143 -1.596 -0.193) 1.614 20.911 ( 0.255 -0.440 0.045) 0.511 21.162 ( -0.684 0.054 0.438) 0.814 21.175 ( 0.362 -0.442 0.054) 0.574 21.196 ( 0.101 0.504 -0.736) 0.898 21.254 ( -0.025 -0.323 0.803) 0.866 22.144 ( -0.089 0.744 0.723) 1.041 22.307 ( -1.110 -1.116 2.260) 2.754 22.419 ( 0.104 -1.013 0.364) 1.081 22.478 ( -2.863 -3.139 -1.740) 4.591 24.040 ( -0.231 0.068 -0.508) 0.562 24.062 ( -0.060 -0.454 0.863) 0.977 24.156 ( 0.362 0.249 -0.440) 0.621 24.161 ( 0.318 0.261 -0.151) 0.439 27.056 ( 2.188 -1.845 0.718) 2.951 27.088 ( -0.698 -1.546 -0.262) 1.717 27.180 ( -0.316 -2.869 -2.940) 4.120 27.306 ( 1.704 -4.135 1.569) 4.740 27.440 ( -0.053 5.304 0.285) 5.312 27.441 ( -0.292 7.756 0.677) 7.791 27.542 ( -0.412 6.687 -1.744) 6.923 27.589 ( 0.873 8.283 0.265) 8.333 33.520 ( -5.064 1.176 -0.998) 5.293 33.583 ( -4.562 2.285 0.950) 5.190 33.874 ( -0.592 0.265 -0.315) 0.721 33.895 ( -0.188 -0.204 0.624) 0.683 33.924 ( -0.753 1.579 -1.301) 2.180 33.941 ( 0.807 0.910 0.596) 1.355 34.026 ( -2.145 -4.117 -3.975) 6.112 34.421 ( -0.307 -13.718 3.619) 14.191 34.587 ( 0.780 3.159 -0.081) 3.255 34.684 ( 1.980 3.207 3.170) 4.925 34.929 ( 0.152 5.630 -6.152) 8.340 35.112 ( 5.117 7.814 3.233) 9.884 35.926 ( 2.748 -4.398 -5.983) 7.918 36.005 ( 7.132 -5.110 1.232) 8.860 36.173 ( 5.749 -1.137 2.515) 6.377 36.296 ( 2.529 -3.285 1.515) 4.414 36.803 ( -0.286 4.936 -0.555) 4.976 36.936 ( 0.141 4.009 2.863) 4.929 37.050 ( 1.286 15.633 0.045) 15.686 37.073 ( 4.230 10.981 6.647) 13.515 37.490 ( -3.464 -1.229 -1.350) 3.916 37.621 ( -4.807 -0.463 -8.962) 10.180 37.749 ( 2.067 4.662 -13.019) 13.982 39.369 ( -5.207 -20.647 3.160) 21.526 ======================= Grid point 13 (10/76) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 9.687 0.489 8.269) 12.746 1.727 ( 1.130 3.008 -6.069) 6.867 1.984 ( 5.035 6.309 -6.405) 10.304 2.110 ( 10.312 0.409 -1.611) 10.445 2.257 ( -5.852 -9.525 3.509) 11.717 2.593 ( 3.009 1.481 4.907) 5.944 2.723 ( 0.675 3.462 2.661) 4.418 2.771 ( 2.849 9.016 3.841) 10.206 2.875 ( -4.641 -0.095 -3.557) 5.848 2.958 ( -3.879 -5.345 -7.764) 10.193 3.074 ( 2.603 7.652 7.426) 10.976 3.170 ( -1.149 4.032 0.428) 4.214 3.227 ( 3.001 3.131 4.983) 6.606 3.244 ( 2.754 9.020 -6.867) 11.667 3.286 ( -2.991 -2.232 -2.523) 4.505 3.409 ( -0.718 -3.433 0.837) 3.606 3.431 ( -0.255 -4.490 -1.562) 4.761 3.496 ( 0.585 2.480 3.393) 4.243 3.576 ( -1.487 1.407 -1.374) 2.466 3.622 ( -6.574 6.113 -1.335) 9.076 3.713 ( 3.914 2.157 5.577) 7.146 3.808 ( -1.600 -0.064 -5.720) 5.940 3.887 ( 0.056 6.252 1.787) 6.503 4.101 ( 6.510 4.982 -8.220) 11.609 4.123 ( 1.881 0.610 0.164) 1.985 4.176 ( -3.507 -2.125 -1.059) 4.235 4.269 ( -1.742 11.922 -0.969) 12.087 4.363 ( 6.049 11.921 0.891) 13.397 4.476 ( -0.880 1.946 1.130) 2.416 4.580 ( -2.681 5.262 2.699) 6.493 4.670 ( 1.771 -1.980 -1.161) 2.899 4.761 ( -1.156 11.563 2.498) 11.886 4.979 ( 1.324 -7.478 1.887) 7.826 5.265 ( 1.252 -8.490 1.921) 8.794 5.307 ( 1.729 3.874 2.225) 4.790 5.688 ( -0.165 -0.681 0.166) 0.720 5.750 ( -0.025 -1.996 1.752) 2.656 5.827 ( 1.824 -4.732 -1.498) 5.288 5.892 ( -5.108 -2.904 -2.137) 6.252 6.025 ( 1.268 -4.857 -0.387) 5.035 6.090 ( 0.490 2.692 0.766) 2.841 6.179 ( -1.596 -1.590 0.310) 2.274 6.246 ( -0.289 4.369 0.177) 4.382 6.461 ( 0.454 -1.437 -0.176) 1.518 6.498 ( -0.260 -0.132 -0.234) 0.374 6.613 ( -0.172 3.384 -0.082) 3.390 6.664 ( 0.723 2.120 0.004) 2.240 6.671 ( 1.289 4.153 0.357) 4.363 6.803 ( 4.911 -1.205 -0.944) 5.144 6.885 ( 6.097 3.128 -0.584) 6.877 6.969 ( 4.343 2.300 3.070) 5.794 7.029 ( -6.468 1.009 -2.933) 7.174 7.086 ( -2.939 1.433 -0.601) 3.324 7.138 ( 0.395 2.017 2.036) 2.893 7.182 ( -2.604 0.841 -3.659) 4.569 7.275 ( -1.070 3.434 -4.969) 6.134 7.374 ( -1.038 -0.505 -1.057) 1.565 7.470 ( -4.370 1.721 -0.432) 4.717 7.585 ( -0.845 6.140 1.053) 6.287 7.686 ( 1.877 2.937 0.846) 3.586 7.755 ( 0.210 -0.515 0.363) 0.664 7.820 ( -5.876 0.967 -2.173) 6.339 7.906 ( -1.396 4.364 -0.221) 4.587 8.025 ( -1.299 7.729 1.079) 7.912 8.267 ( 5.184 -4.490 4.436) 8.167 8.343 ( 1.084 -4.059 -0.739) 4.265 8.347 ( -2.907 -4.741 1.390) 5.732 8.942 ( -5.739 -10.625 2.401) 12.312 9.281 ( 1.350 -4.450 1.259) 4.817 9.295 ( 0.563 -6.552 0.852) 6.631 9.472 ( -2.692 -8.324 -3.076) 9.274 9.895 ( -0.832 -11.814 1.454) 11.932 12.654 ( 1.599 -1.863 -0.354) 2.480 12.684 ( 0.930 -1.727 0.788) 2.114 12.783 ( -0.915 0.681 -0.960) 1.491 12.800 ( -0.645 0.792 0.043) 1.022 13.117 ( 0.714 -1.154 0.178) 1.368 13.127 ( 0.077 -1.690 0.278) 1.715 13.348 ( 0.054 -5.457 -0.719) 5.504 13.485 ( -0.442 -7.258 0.102) 7.272 14.477 ( -0.643 7.224 -0.533) 7.272 14.536 ( -1.079 16.449 -0.236) 16.486 14.600 ( 0.146 10.000 0.082) 10.001 14.657 ( 0.644 13.126 0.596) 13.155 14.948 ( -0.715 3.247 -1.603) 3.691 15.121 ( 1.112 -0.047 0.519) 1.228 15.231 ( 0.625 -7.240 -0.273) 7.272 15.292 ( 2.601 -3.661 1.034) 4.609 18.270 ( -1.199 -2.420 -0.741) 2.801 18.328 ( 2.153 0.006 1.596) 2.680 18.369 ( -0.732 1.823 -0.324) 1.990 18.391 ( -0.532 2.540 -0.855) 2.732 18.461 ( 0.412 -12.594 1.213) 12.659 18.508 ( -2.584 -9.333 -0.922) 9.728 18.533 ( -0.485 -9.522 0.921) 9.579 18.565 ( -2.257 -10.893 -0.882) 11.159 20.664 ( 0.006 1.662 0.012) 1.662 20.702 ( 0.016 2.608 0.097) 2.610 20.880 ( 0.047 -1.687 -0.081) 1.690 20.915 ( 0.109 -0.286 0.031) 0.307 21.158 ( -0.286 0.033 0.697) 0.754 21.166 ( -0.164 -0.241 -1.102) 1.140 21.205 ( 0.383 0.186 0.325) 0.535 21.259 ( -0.019 -0.292 0.354) 0.459 22.148 ( 0.009 0.637 0.255) 0.686 22.320 ( 0.160 -1.824 2.108) 2.792 22.407 ( -1.692 -1.695 -2.111) 3.193 22.427 ( -0.291 -0.978 -0.025) 1.020 24.034 ( -0.092 0.076 -0.187) 0.223 24.070 ( 0.168 -0.536 0.511) 0.760 24.148 ( -0.202 0.495 -0.584) 0.792 24.168 ( 0.235 0.349 0.086) 0.429 27.076 ( -0.305 -1.298 -0.152) 1.342 27.098 ( 1.146 -1.555 1.134) 2.240 27.153 ( -0.163 -3.348 -1.749) 3.781 27.332 ( 0.451 -2.549 0.471) 2.631 27.438 ( -0.163 5.949 0.139) 5.953 27.455 ( 0.461 5.841 0.808) 5.915 27.511 ( -0.737 6.966 -1.378) 7.139 27.617 ( 0.911 8.760 0.600) 8.828 33.452 ( -1.911 0.419 -0.407) 1.998 33.542 ( -1.311 3.610 0.668) 3.898 33.846 ( -1.162 -0.707 -0.981) 1.677 33.885 ( -0.445 0.863 -0.497) 1.091 33.914 ( 0.283 -0.140 0.117) 0.337 33.967 ( 0.973 -2.136 0.239) 2.359 33.987 ( -0.656 -1.218 -0.525) 1.480 34.423 ( -0.645 -10.700 0.525) 10.732 34.601 ( 0.346 0.874 0.227) 0.967 34.765 ( 2.622 2.764 5.607) 6.778 34.857 ( -1.694 4.436 -6.568) 8.105 35.221 ( 3.231 8.934 2.409) 9.801 35.887 ( -0.431 -1.784 -3.529) 3.978 36.112 ( 3.354 -7.639 1.043) 8.408 36.259 ( 2.363 -2.142 -0.546) 3.236 36.318 ( -0.324 -2.602 1.511) 3.026 36.795 ( -0.281 5.660 -0.080) 5.667 36.967 ( 0.814 6.683 1.065) 6.816 37.076 ( 1.353 16.625 0.398) 16.685 37.238 ( 2.655 -0.282 10.665) 10.994 37.434 ( 0.945 1.402 -5.001) 5.279 37.499 ( -2.563 -0.270 -2.864) 3.853 37.647 ( -1.515 6.821 -8.631) 11.105 39.324 ( -1.926 -19.972 0.849) 20.083 ======================= Grid point 18 (11/76) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 24.764 0.000) 24.764 1.385 ( 0.000 -1.368 0.000) 1.368 1.553 ( 0.000 5.257 0.000) 5.257 1.596 ( 0.000 28.400 0.000) 28.400 1.996 ( 0.000 -14.114 0.000) 14.114 2.124 ( 0.000 18.524 0.000) 18.524 2.517 ( 0.000 -6.078 0.000) 6.078 2.716 ( 0.000 -7.067 0.000) 7.067 2.849 ( 0.000 2.967 0.000) 2.967 2.858 ( 0.000 -9.177 0.000) 9.177 3.001 ( 0.000 3.372 0.000) 3.372 3.085 ( 0.000 -7.150 0.000) 7.150 3.156 ( 0.000 -6.534 0.000) 6.534 3.234 ( 0.000 0.315 0.000) 0.315 3.247 ( 0.000 4.355 0.000) 4.355 3.437 ( 0.000 -2.955 0.000) 2.955 3.496 ( 0.000 8.663 0.000) 8.663 3.522 ( 0.000 11.723 0.000) 11.723 3.859 ( 0.000 -6.046 0.000) 6.046 3.863 ( 0.000 -0.781 0.000) 0.781 3.951 ( 0.000 7.222 0.000) 7.222 4.003 ( 0.000 8.858 0.000) 8.858 4.030 ( 0.000 0.533 0.000) 0.533 4.080 ( 0.000 7.910 0.000) 7.910 4.150 ( 0.000 -0.032 0.000) 0.032 4.215 ( 0.000 11.270 0.000) 11.270 4.279 ( 0.000 -3.947 0.000) 3.947 4.396 ( 0.000 4.197 0.000) 4.197 4.540 ( 0.000 2.044 0.000) 2.044 4.618 ( 0.000 0.722 0.000) 0.722 4.835 ( 0.000 3.714 0.000) 3.714 4.886 ( 0.000 3.351 0.000) 3.351 4.939 ( 0.000 -2.246 0.000) 2.246 5.142 ( 0.000 0.652 0.000) 0.652 5.171 ( 0.000 0.808 0.000) 0.808 5.409 ( 0.000 -9.526 0.000) 9.526 5.614 ( 0.000 3.032 0.000) 3.032 5.797 ( 0.000 0.266 0.000) 0.266 5.885 ( 0.000 -6.518 0.000) 6.518 5.927 ( 0.000 -5.153 0.000) 5.153 6.030 ( 0.000 1.576 0.000) 1.576 6.089 ( 0.000 1.016 0.000) 1.016 6.459 ( 0.000 1.262 0.000) 1.262 6.540 ( 0.000 -0.893 0.000) 0.893 6.570 ( 0.000 7.862 0.000) 7.862 6.642 ( 0.000 5.368 0.000) 5.368 6.651 ( 0.000 9.159 0.000) 9.159 6.712 ( 0.000 1.686 0.000) 1.686 6.772 ( 0.000 1.455 0.000) 1.455 6.775 ( 0.000 2.832 0.000) 2.832 6.914 ( 0.000 -1.259 0.000) 1.259 7.020 ( 0.000 8.098 0.000) 8.098 7.250 ( 0.000 -6.978 0.000) 6.978 7.329 ( 0.000 -2.901 0.000) 2.901 7.398 ( 0.000 1.488 0.000) 1.488 7.490 ( 0.000 15.151 0.000) 15.151 7.581 ( 0.000 7.670 0.000) 7.670 7.710 ( 0.000 -0.055 0.000) 0.055 7.777 ( 0.000 2.445 0.000) 2.445 7.813 ( 0.000 4.335 0.000) 4.335 7.878 ( 0.000 0.535 0.000) 0.535 7.995 ( 0.000 1.361 0.000) 1.361 8.034 ( 0.000 2.855 0.000) 2.855 8.149 ( 0.000 1.513 0.000) 1.513 8.156 ( 0.000 -3.288 0.000) 3.288 8.201 ( 0.000 1.493 0.000) 1.493 8.512 ( 0.000 -15.057 0.000) 15.057 8.652 ( 0.000 -25.199 0.000) 25.199 9.337 ( 0.000 -4.893 0.000) 4.893 9.422 ( 0.000 -9.366 0.000) 9.366 9.563 ( 0.000 -3.639 0.000) 3.639 9.728 ( 0.000 -9.314 0.000) 9.314 12.504 ( 0.000 2.586 0.000) 2.586 12.633 ( 0.000 0.177 0.000) 0.177 12.713 ( 0.000 -4.363 0.000) 4.363 12.771 ( 0.000 -5.645 0.000) 5.645 13.045 ( 0.000 -2.740 0.000) 2.740 13.046 ( 0.000 -1.235 0.000) 1.235 13.266 ( 0.000 -2.347 0.000) 2.347 13.330 ( 0.000 -5.121 0.000) 5.121 14.788 ( 0.000 8.965 0.000) 8.965 14.845 ( 0.000 11.034 0.000) 11.034 14.909 ( 0.000 9.265 0.000) 9.265 14.930 ( 0.000 0.791 0.000) 0.791 14.973 ( 0.000 10.776 0.000) 10.776 15.009 ( 0.000 6.017 0.000) 6.017 15.045 ( 0.000 -2.458 0.000) 2.458 15.074 ( 0.000 9.135 0.000) 9.135 18.096 ( 0.000 -10.445 0.000) 10.445 18.184 ( 0.000 -12.495 0.000) 12.495 18.210 ( 0.000 -11.675 0.000) 11.675 18.230 ( 0.000 -13.440 0.000) 13.440 18.489 ( 0.000 5.848 0.000) 5.848 18.531 ( 0.000 0.495 0.000) 0.495 18.617 ( 0.000 -3.625 0.000) 3.625 18.678 ( 0.000 -2.371 0.000) 2.371 20.729 ( 0.000 2.492 0.000) 2.492 20.760 ( 0.000 2.646 0.000) 2.646 20.837 ( 0.000 -2.229 0.000) 2.229 20.870 ( 0.000 -2.008 0.000) 2.008 21.151 ( 0.000 0.643 0.000) 0.643 21.176 ( 0.000 -0.386 0.000) 0.386 21.233 ( 0.000 0.073 0.000) 0.073 21.240 ( 0.000 -0.175 0.000) 0.175 22.169 ( 0.000 2.171 0.000) 2.171 22.303 ( 0.000 -3.769 0.000) 3.769 22.412 ( 0.000 -0.413 0.000) 0.413 22.424 ( 0.000 -1.176 0.000) 1.176 24.053 ( 0.000 -0.342 0.000) 0.342 24.054 ( 0.000 -0.281 0.000) 0.281 24.141 ( 0.000 0.685 0.000) 0.685 24.142 ( 0.000 0.715 0.000) 0.715 26.956 ( 0.000 -0.317 0.000) 0.317 27.031 ( 0.000 -3.540 0.000) 3.540 27.075 ( 0.000 -1.531 0.000) 1.531 27.105 ( 0.000 -3.241 0.000) 3.241 27.576 ( 0.000 4.767 0.000) 4.767 27.576 ( 0.000 4.366 0.000) 4.366 27.683 ( 0.000 7.552 0.000) 7.552 27.804 ( 0.000 2.193 0.000) 2.193 33.768 ( 0.000 1.258 0.000) 1.258 33.825 ( 0.000 -0.953 0.000) 0.953 33.907 ( 0.000 2.455 0.000) 2.455 33.910 ( 0.000 1.124 0.000) 1.124 33.924 ( 0.000 0.227 0.000) 0.227 34.043 ( 0.000 -2.776 0.000) 2.776 34.085 ( 0.000 2.561 0.000) 2.561 34.248 ( 0.000 -5.109 0.000) 5.109 34.730 ( 0.000 4.490 0.000) 4.490 34.873 ( 0.000 -0.375 0.000) 0.375 34.937 ( 0.000 10.475 0.000) 10.475 35.116 ( 0.000 2.289 0.000) 2.289 35.563 ( 0.000 -2.689 0.000) 2.689 35.588 ( 0.000 -3.514 0.000) 3.514 36.012 ( 0.000 -0.830 0.000) 0.830 36.016 ( 0.000 -0.873 0.000) 0.873 36.873 ( 0.000 4.383 0.000) 4.383 37.043 ( 0.000 -1.386 0.000) 1.386 37.051 ( 0.000 2.659 0.000) 2.659 37.224 ( 0.000 -8.503 0.000) 8.503 37.581 ( 0.000 3.337 0.000) 3.337 37.656 ( 0.000 0.853 0.000) 0.853 38.376 ( 0.000 17.894 0.000) 17.894 39.133 ( 0.000 -15.449 0.000) 15.449 ======================= Grid point 19 (12/76) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 4.778 19.382 9.137) 21.954 1.426 ( 5.124 4.651 2.526) 7.366 1.596 ( 5.449 19.617 1.154) 20.392 1.680 ( 4.900 -2.315 6.026) 8.104 2.068 ( 4.677 -13.758 5.788) 15.641 2.372 ( 20.605 16.257 8.839) 27.695 2.473 ( 4.538 1.540 -8.919) 10.125 2.620 ( -10.495 0.417 -7.473) 12.891 2.750 ( -4.529 -3.366 -4.142) 7.000 2.830 ( -2.241 -10.951 -2.083) 11.370 3.048 ( 6.149 3.997 -1.151) 7.424 3.114 ( 0.661 -4.746 0.924) 4.880 3.180 ( 5.970 -3.292 -3.770) 7.791 3.262 ( 4.413 -5.249 -0.612) 6.885 3.321 ( 2.700 3.581 3.677) 5.799 3.445 ( -0.408 0.866 0.441) 1.054 3.500 ( -1.255 4.652 0.972) 4.915 3.569 ( 4.684 13.061 4.621) 14.625 3.805 ( -6.428 -4.146 1.770) 7.851 3.874 ( -1.141 1.901 -2.360) 3.238 3.895 ( -3.487 5.115 -2.759) 6.777 3.977 ( 0.053 4.227 -2.033) 4.691 4.030 ( -2.073 9.285 0.513) 9.527 4.077 ( 1.295 -5.934 -2.059) 6.413 4.123 ( 2.511 5.778 -3.513) 7.213 4.276 ( 2.877 8.284 -1.447) 8.888 4.295 ( 1.476 -3.583 1.432) 4.131 4.419 ( -0.265 8.661 3.940) 9.518 4.469 ( 2.350 7.450 -7.002) 10.491 4.711 ( 3.695 -0.143 5.595) 6.706 4.817 ( -1.948 6.194 -1.275) 6.617 4.872 ( -0.456 2.391 -2.300) 3.349 4.921 ( -2.415 -4.467 0.806) 5.142 5.076 ( -0.074 -0.111 -6.802) 6.804 5.203 ( -2.859 0.705 5.140) 5.924 5.464 ( 3.992 -11.143 3.936) 12.473 5.614 ( -0.030 3.477 0.883) 3.587 5.822 ( 1.699 0.800 2.514) 3.138 5.889 ( -0.593 -5.189 1.183) 5.355 5.974 ( 2.687 -5.444 4.977) 7.850 6.015 ( -3.159 -0.429 -1.362) 3.467 6.032 ( -0.753 0.697 -4.142) 4.267 6.463 ( -1.292 1.991 3.054) 3.868 6.536 ( -2.626 4.358 1.312) 5.255 6.576 ( 1.417 2.342 1.342) 3.049 6.630 ( -0.712 3.952 1.255) 4.207 6.652 ( 0.318 8.058 -0.474) 8.078 6.725 ( -0.652 2.344 -0.212) 2.442 6.739 ( -1.090 2.387 -1.395) 2.972 6.809 ( 0.435 1.536 0.386) 1.642 6.932 ( 2.567 -0.487 -0.451) 2.651 7.040 ( 2.421 6.621 -0.192) 7.053 7.195 ( -4.731 -4.456 -0.326) 6.507 7.355 ( 1.168 6.285 -2.522) 6.872 7.378 ( -0.635 -3.241 3.395) 4.736 7.509 ( -0.238 10.895 0.552) 10.912 7.569 ( -1.308 7.929 0.995) 8.097 7.686 ( -1.682 -0.911 -1.370) 2.353 7.769 ( -1.130 2.715 -0.837) 3.058 7.834 ( 0.878 4.500 3.434) 5.728 7.873 ( 0.053 -0.706 -0.170) 0.728 7.958 ( -3.315 3.174 -1.706) 4.896 8.054 ( 0.961 3.347 -0.289) 3.494 8.149 ( -1.066 0.796 0.817) 1.561 8.174 ( 0.703 -2.213 0.560) 2.389 8.190 ( 1.389 0.101 -2.792) 3.120 8.453 ( -3.815 -16.011 -0.836) 16.480 8.629 ( -1.579 -23.993 -4.082) 24.389 9.311 ( -3.836 -3.196 -1.366) 5.176 9.357 ( -6.942 -1.343 -2.262) 7.424 9.536 ( -0.443 -11.484 4.212) 12.241 9.671 ( -5.854 -10.335 -2.326) 12.103 12.516 ( 1.138 1.805 0.550) 2.203 12.626 ( 0.815 -1.242 -1.726) 2.277 12.718 ( -0.098 -2.900 0.231) 2.911 12.774 ( 0.698 -4.629 -0.538) 4.712 13.072 ( 2.092 -1.656 1.739) 3.185 13.089 ( 2.049 -0.996 1.904) 2.969 13.259 ( -0.335 -4.055 0.260) 4.077 13.307 ( -1.474 -5.288 -1.315) 5.645 14.746 ( -1.431 7.345 1.796) 7.696 14.884 ( -1.333 8.918 -1.875) 9.210 14.914 ( 0.747 6.798 -0.120) 6.840 14.930 ( -0.790 8.359 1.161) 8.476 14.961 ( 2.597 6.677 0.550) 7.185 15.011 ( 0.400 7.657 -0.464) 7.682 15.084 ( 2.130 3.737 0.546) 4.335 15.094 ( 1.928 2.998 0.283) 3.576 18.100 ( -0.005 -10.930 0.356) 10.935 18.157 ( -1.524 -12.000 -1.232) 12.159 18.211 ( -0.272 -12.271 0.703) 12.294 18.234 ( -0.733 -13.709 0.525) 13.739 18.484 ( -0.682 5.013 0.472) 5.081 18.512 ( -1.628 1.599 -0.516) 2.339 18.607 ( -1.668 -3.194 0.617) 3.655 18.657 ( -2.144 -2.493 -0.603) 3.343 20.726 ( -0.298 2.577 -0.115) 2.596 20.759 ( -0.085 3.033 0.156) 3.039 20.837 ( 0.099 -2.283 -0.201) 2.294 20.873 ( 0.240 -1.944 0.186) 1.967 21.153 ( 0.159 0.560 0.267) 0.640 21.175 ( -0.152 -0.308 -0.002) 0.344 21.228 ( -0.271 0.142 -0.589) 0.663 21.239 ( -0.155 -0.280 0.181) 0.368 22.169 ( -0.290 2.076 0.533) 2.163 22.294 ( -1.265 -3.239 0.742) 3.555 22.405 ( -0.437 -0.232 -0.041) 0.497 22.437 ( 0.804 -2.123 0.006) 2.270 24.050 ( -0.318 -0.187 0.253) 0.447 24.055 ( -0.102 -0.341 0.045) 0.359 24.144 ( 0.466 0.628 -0.054) 0.784 24.149 ( 0.758 0.511 -0.277) 0.956 26.996 ( 1.522 -2.571 0.380) 3.012 27.012 ( 1.213 -2.793 0.010) 3.045 27.077 ( 0.111 -0.930 0.325) 0.992 27.130 ( 2.025 -3.326 -0.336) 3.908 27.580 ( -0.059 5.131 0.854) 5.202 27.584 ( 0.280 4.764 1.110) 4.900 27.684 ( 0.635 7.423 -0.818) 7.495 27.786 ( -0.849 3.009 -2.125) 3.781 33.764 ( -1.916 1.845 1.824) 3.225 33.805 ( -4.228 1.766 -0.044) 4.582 33.877 ( -0.335 -0.226 -0.193) 0.448 33.902 ( -1.053 -0.443 -0.840) 1.418 33.926 ( -0.284 0.878 0.600) 1.101 34.002 ( -2.743 -0.550 -1.459) 3.155 34.081 ( -1.362 -1.450 1.898) 2.749 34.193 ( -4.111 -4.449 -2.707) 6.635 34.737 ( -0.471 4.499 1.374) 4.727 34.807 ( -3.770 3.836 -2.860) 6.092 34.994 ( 3.360 7.190 2.807) 8.418 35.125 ( 1.857 2.397 -2.275) 3.790 35.629 ( 5.700 -3.107 0.146) 6.493 35.634 ( 6.136 -3.105 0.812) 6.924 36.034 ( 2.900 -0.568 -0.021) 2.956 36.064 ( 4.574 -1.457 -0.270) 4.808 36.878 ( 1.288 4.380 0.000) 4.566 37.014 ( -3.080 0.104 1.010) 3.243 37.132 ( 6.332 1.134 2.410) 6.869 37.249 ( 1.693 0.843 0.986) 2.133 37.583 ( 4.232 -1.856 -7.737) 9.012 37.631 ( -2.527 0.151 -0.937) 2.700 38.302 ( -7.604 17.527 -1.131) 19.139 39.068 ( -7.744 -17.551 1.823) 19.270 ======================= Grid point 20 (13/76) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 7.384 14.238 10.250) 19.034 1.593 ( 10.917 -0.365 1.995) 11.104 1.786 ( 3.599 -5.359 1.581) 6.646 1.809 ( 14.311 10.399 4.351) 18.218 2.205 ( 3.237 -15.315 9.178) 18.145 2.335 ( -8.052 8.263 -14.852) 18.806 2.553 ( 3.534 4.988 -2.874) 6.755 2.640 ( 2.701 -8.976 -0.778) 9.406 2.800 ( 6.181 -4.683 2.983) 8.308 2.842 ( 11.732 -0.205 7.203) 13.768 3.116 ( 0.450 -4.497 -1.344) 4.715 3.171 ( 7.606 6.754 -0.910) 10.213 3.229 ( 4.966 -3.234 -6.178) 8.561 3.336 ( 2.277 3.547 0.860) 4.302 3.364 ( 0.379 2.399 -1.248) 2.730 3.430 ( 1.553 0.435 -1.602) 2.273 3.493 ( -0.709 0.134 1.507) 1.671 3.673 ( -4.464 7.342 0.591) 8.613 3.681 ( -1.240 7.529 1.999) 7.888 3.769 ( -5.510 4.853 -1.576) 7.510 3.865 ( -1.573 1.947 -1.263) 2.804 3.972 ( -0.654 3.663 2.921) 4.730 4.018 ( 1.534 5.244 -0.698) 5.508 4.076 ( 1.554 1.654 -4.526) 5.063 4.133 ( 0.317 1.591 1.279) 2.065 4.291 ( 5.239 5.084 -8.653) 11.321 4.350 ( 3.825 1.653 1.012) 4.288 4.475 ( 3.600 15.404 4.152) 16.355 4.524 ( 2.341 6.894 5.511) 9.132 4.724 ( -0.443 9.110 -7.879) 12.053 4.792 ( -2.982 4.266 -1.248) 5.352 4.833 ( -3.798 -1.957 2.601) 5.002 4.906 ( 3.773 -2.071 -0.477) 4.330 5.046 ( -0.317 -10.320 -1.148) 10.388 5.174 ( -2.026 5.186 1.143) 5.684 5.564 ( 3.366 -11.482 1.741) 12.091 5.646 ( 1.700 2.573 3.187) 4.435 5.852 ( -2.889 0.377 -0.993) 3.078 5.903 ( 1.505 1.576 5.649) 6.055 5.954 ( 0.463 -4.732 -1.707) 5.051 6.010 ( 1.834 -2.216 -2.461) 3.786 6.098 ( 4.524 -5.471 6.629) 9.713 6.432 ( -6.750 2.581 2.514) 7.651 6.486 ( -2.972 2.493 -2.625) 4.684 6.582 ( -3.869 1.437 1.882) 4.536 6.641 ( 2.170 0.070 0.386) 2.205 6.666 ( 1.012 6.781 0.798) 6.903 6.713 ( -0.264 3.235 2.283) 3.969 6.731 ( 0.230 3.909 -0.851) 4.007 6.770 ( -1.194 2.918 -1.546) 3.512 6.969 ( 1.522 -0.687 -1.411) 2.186 7.064 ( -0.646 -3.757 -0.127) 3.815 7.154 ( 2.015 8.094 -1.964) 8.569 7.328 ( -2.481 6.190 -0.334) 6.677 7.363 ( -2.044 -1.132 -3.947) 4.587 7.517 ( 0.739 7.326 -2.210) 7.687 7.554 ( -1.092 6.282 2.914) 7.011 7.654 ( -1.802 -0.590 1.920) 2.699 7.711 ( -3.114 5.411 -4.737) 7.837 7.857 ( -3.372 5.604 -1.990) 6.837 7.890 ( 0.862 -1.859 1.337) 2.447 7.893 ( -1.888 2.919 4.184) 5.440 8.032 ( -2.496 1.370 -0.892) 2.983 8.110 ( -2.371 2.459 -1.284) 3.650 8.150 ( -0.605 -1.913 -2.147) 2.939 8.215 ( 0.785 -0.784 1.148) 1.596 8.472 ( 2.944 -16.789 5.158) 17.808 8.495 ( -8.400 -17.501 -5.094) 20.070 9.171 ( -5.421 0.356 -0.557) 5.461 9.302 ( -2.972 -3.872 0.824) 4.950 9.519 ( -7.237 -10.835 -4.451) 13.768 9.568 ( -2.107 -15.226 5.776) 16.420 12.547 ( 1.664 0.485 0.392) 1.776 12.649 ( 3.239 -0.047 -0.635) 3.301 12.706 ( -1.232 -4.074 0.309) 4.267 12.792 ( 1.698 -3.537 0.010) 3.923 13.099 ( -0.596 -0.306 -0.732) 0.993 13.109 ( 0.100 0.055 -0.537) 0.549 13.264 ( -0.121 -4.937 -0.433) 4.958 13.295 ( 0.904 -6.478 1.616) 6.737 14.782 ( 1.408 6.748 3.409) 7.690 14.813 ( -3.379 10.990 -2.655) 11.800 14.900 ( -0.342 5.943 0.039) 5.953 14.962 ( 1.437 5.908 1.801) 6.341 15.013 ( 2.205 8.404 0.303) 8.694 15.019 ( 1.317 7.911 -0.477) 8.034 15.100 ( 0.725 5.899 -0.657) 5.979 15.137 ( 2.688 -1.006 -0.664) 2.946 18.094 ( -0.776 -11.708 0.202) 11.736 18.130 ( -1.029 -13.494 -0.461) 13.541 18.202 ( -1.513 -13.349 0.045) 13.435 18.216 ( -1.248 -12.707 0.352) 12.773 18.469 ( -1.661 3.140 0.004) 3.553 18.485 ( -1.041 3.393 0.299) 3.561 18.570 ( -3.184 -1.931 0.441) 3.750 18.602 ( -3.417 -2.085 -0.669) 4.059 20.719 ( -0.290 2.775 -0.186) 2.796 20.762 ( 0.092 3.326 0.456) 3.359 20.837 ( 0.117 -2.389 -0.315) 2.412 20.880 ( 0.365 -1.817 0.304) 1.878 21.160 ( 0.303 0.220 0.317) 0.491 21.171 ( -0.352 -0.147 0.017) 0.382 21.217 ( -0.302 0.399 -0.754) 0.905 21.239 ( -0.096 -0.504 0.474) 0.699 22.169 ( -0.330 1.876 0.640) 2.010 22.279 ( -1.443 -2.534 1.222) 3.162 22.399 ( -0.273 -0.482 -0.015) 0.554 22.440 ( -0.356 -2.889 -0.599) 2.972 24.048 ( -0.220 -0.080 0.215) 0.318 24.052 ( -0.363 -0.228 0.207) 0.476 24.155 ( 0.691 0.453 0.038) 0.828 24.159 ( 0.822 0.235 -0.567) 1.026 26.995 ( 1.134 -0.895 -0.419) 1.505 27.074 ( 0.790 -1.512 0.219) 1.720 27.090 ( 2.603 -3.900 0.403) 4.707 27.155 ( 1.563 -3.262 -0.270) 3.627 27.581 ( -0.525 5.688 -0.014) 5.712 27.599 ( -0.166 5.511 1.408) 5.691 27.697 ( 1.430 7.077 -0.146) 7.221 27.751 ( -0.545 4.730 -2.051) 5.185 33.691 ( -6.467 3.676 -1.195) 7.534 33.724 ( -5.022 3.556 0.641) 6.187 33.856 ( -0.475 -1.652 0.272) 1.740 33.908 ( -1.142 -0.440 0.324) 1.266 33.931 ( 1.247 -1.588 0.378) 2.054 33.949 ( -1.785 -0.208 -1.121) 2.118 34.063 ( -3.608 -2.126 -0.879) 4.279 34.117 ( -1.719 -7.065 2.343) 7.640 34.717 ( -2.335 4.394 -2.012) 5.367 34.743 ( -1.288 4.200 0.880) 4.481 35.076 ( 4.089 6.663 -0.688) 7.848 35.146 ( 3.088 3.805 -0.181) 4.904 35.734 ( 6.706 -3.612 0.260) 7.621 35.777 ( 8.401 -4.612 -0.420) 9.592 36.089 ( 3.307 0.345 0.520) 3.365 36.153 ( 5.237 -2.230 0.396) 5.705 36.915 ( 3.051 5.832 -1.392) 6.727 36.995 ( 0.121 2.755 1.325) 3.060 37.240 ( 3.759 7.080 2.481) 8.391 37.295 ( 1.907 8.978 2.877) 9.618 37.546 ( -0.820 -4.717 -10.645) 11.672 37.590 ( 0.549 -4.110 -1.882) 4.553 38.128 ( -10.203 15.902 -2.121) 19.013 38.939 ( -8.495 -22.817 1.828) 24.415 ======================= Grid point 21 (14/76) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 12.242 6.987 9.409) 16.947 1.771 ( 4.327 -6.197 -0.235) 7.561 1.851 ( 7.975 1.520 0.593) 8.140 1.994 ( 2.859 -4.883 -6.220) 8.409 2.179 ( 4.317 10.255 -7.294) 13.305 2.394 ( 6.533 -9.279 15.781) 19.438 2.463 ( -3.802 -13.425 -2.373) 14.153 2.797 ( 5.565 -6.813 0.438) 8.808 2.875 ( 5.566 2.282 -2.513) 6.519 3.050 ( 2.399 -3.786 8.058) 9.220 3.090 ( -1.633 -4.602 0.672) 4.929 3.182 ( -1.738 0.067 -4.275) 4.615 3.290 ( -1.466 3.974 -2.173) 4.761 3.314 ( 2.965 6.900 -0.894) 7.564 3.343 ( 4.184 2.917 -6.253) 8.069 3.469 ( 0.109 1.265 1.516) 1.978 3.559 ( 1.551 0.823 -3.280) 3.721 3.570 ( -2.509 7.435 -2.837) 8.344 3.651 ( -2.948 2.536 3.530) 5.252 3.696 ( -2.233 4.090 1.694) 4.958 3.860 ( 1.754 6.107 0.156) 6.355 3.969 ( -3.354 7.760 -0.135) 8.455 4.038 ( 0.756 11.241 3.347) 11.753 4.078 ( 0.276 0.743 0.284) 0.842 4.159 ( 0.953 5.771 -1.504) 6.039 4.312 ( 5.944 3.793 -6.801) 9.797 4.431 ( 5.444 1.446 -1.452) 5.817 4.552 ( -0.566 13.088 -0.883) 13.130 4.594 ( 0.738 9.014 2.405) 9.359 4.679 ( 2.413 8.412 -1.552) 8.888 4.753 ( -1.669 5.276 1.203) 5.663 4.785 ( 0.743 -0.128 1.733) 1.890 4.931 ( -2.840 -4.831 3.911) 6.834 5.119 ( 6.869 -3.162 3.286) 8.245 5.164 ( 1.449 0.167 -2.196) 2.636 5.600 ( 0.714 -9.233 -0.243) 9.264 5.704 ( 0.941 1.982 4.336) 4.860 5.787 ( -2.524 0.970 -1.321) 3.009 5.929 ( -1.660 -4.038 -3.946) 5.885 5.965 ( 0.748 -2.400 0.924) 2.678 6.087 ( 5.012 0.054 3.035) 5.860 6.185 ( -1.891 -1.095 2.768) 3.527 6.319 ( -3.960 0.839 0.951) 4.158 6.416 ( 0.579 -2.191 -3.337) 4.034 6.541 ( -4.161 2.722 1.755) 5.273 6.646 ( 0.702 -0.149 -0.961) 1.200 6.692 ( 1.448 4.763 -0.619) 5.016 6.705 ( 0.187 3.941 1.224) 4.131 6.753 ( 1.692 2.211 2.313) 3.619 6.840 ( 4.785 0.651 3.046) 5.710 6.953 ( -0.166 -0.199 -4.176) 4.184 7.051 ( -0.616 -5.195 0.788) 5.290 7.162 ( 0.574 3.818 -4.143) 5.663 7.260 ( -2.774 1.514 -8.380) 8.957 7.281 ( -2.714 6.621 0.961) 7.220 7.454 ( -4.003 1.518 -4.700) 6.358 7.566 ( -3.536 9.995 1.162) 10.665 7.608 ( -1.310 7.179 -4.576) 8.613 7.668 ( -0.366 1.568 4.904) 5.162 7.766 ( -3.190 6.132 -1.911) 7.171 7.839 ( -4.871 2.524 -0.217) 5.490 7.937 ( 0.030 -2.191 -1.791) 2.830 8.008 ( 1.939 -2.567 4.348) 5.409 8.064 ( -3.271 0.485 -0.418) 3.333 8.157 ( 1.310 5.651 2.886) 6.479 8.246 ( 0.492 -1.858 2.550) 3.194 8.308 ( -6.581 -6.308 -1.593) 9.255 8.583 ( 1.301 -19.700 5.859) 20.594 9.135 ( -0.335 -4.038 1.590) 4.352 9.240 ( -4.342 -2.818 -0.199) 5.180 9.370 ( -5.647 -10.312 -4.219) 12.492 9.568 ( -2.570 -16.924 3.846) 17.545 12.577 ( 1.885 -0.700 0.017) 2.011 12.667 ( -0.952 -0.706 -0.881) 1.477 12.732 ( 3.019 -2.885 1.580) 4.465 12.814 ( 0.273 -2.346 -0.275) 2.377 13.079 ( 0.049 -1.079 -0.656) 1.264 13.092 ( -0.317 -0.363 -1.069) 1.173 13.255 ( -0.303 -3.913 -0.850) 4.016 13.320 ( 0.002 -6.919 0.841) 6.970 14.713 ( -3.389 8.995 -3.541) 10.244 14.827 ( -0.458 9.271 0.964) 9.332 14.923 ( 2.225 8.119 2.428) 8.762 14.981 ( -1.566 16.300 0.445) 16.381 15.033 ( 2.488 0.655 0.402) 2.604 15.053 ( 1.008 5.148 -1.193) 5.380 15.140 ( 4.035 1.791 1.121) 4.555 15.162 ( 1.229 -0.161 -0.694) 1.421 18.088 ( -0.325 -13.519 0.308) 13.526 18.108 ( -0.958 -13.946 0.299) 13.982 18.161 ( -2.534 -13.719 -1.162) 14.000 18.204 ( -0.702 -13.919 0.416) 13.943 18.445 ( -0.879 3.496 0.039) 3.605 18.469 ( -1.022 2.314 -0.169) 2.536 18.517 ( -2.987 -0.304 0.136) 3.005 18.540 ( -3.403 -0.048 0.028) 3.403 20.715 ( -0.124 2.792 -0.125) 2.797 20.768 ( 0.089 3.482 0.438) 3.510 20.836 ( 0.076 -2.480 -0.287) 2.498 20.889 ( 0.328 -1.713 0.281) 1.767 21.161 ( -0.382 -0.042 0.000) 0.385 21.167 ( -0.062 -0.325 -0.266) 0.424 21.210 ( 0.107 0.798 -0.100) 0.811 21.244 ( 0.062 -0.631 0.600) 0.873 22.169 ( -0.204 1.633 0.473) 1.712 22.269 ( -1.005 -2.381 1.366) 2.923 22.394 ( -0.268 -1.023 -0.350) 1.114 22.416 ( -1.199 -2.174 -1.035) 2.690 24.043 ( -0.272 0.150 -0.191) 0.365 24.052 ( -0.073 -0.360 0.671) 0.765 24.163 ( 0.372 0.352 -0.656) 0.832 24.167 ( 0.577 0.234 0.009) 0.622 27.028 ( 2.226 -0.371 0.496) 2.310 27.072 ( -0.123 0.282 -0.335) 0.455 27.109 ( 0.322 -3.320 -1.920) 3.849 27.199 ( 2.407 -5.024 1.560) 5.785 27.565 ( -0.698 5.555 -0.646) 5.635 27.595 ( -0.883 4.990 -0.070) 5.068 27.714 ( 0.516 7.967 -0.232) 7.987 27.756 ( 1.589 6.249 1.013) 6.527 33.572 ( -5.270 3.786 -1.920) 6.767 33.657 ( -3.224 4.517 1.382) 5.719 33.842 ( -2.549 -5.513 -1.850) 6.350 33.879 ( -0.910 -0.224 -0.067) 0.939 33.916 ( -0.295 -0.142 -0.785) 0.851 33.957 ( 0.325 0.066 0.285) 0.437 33.996 ( -1.740 0.534 -0.053) 1.821 34.137 ( -0.723 -11.070 3.948) 11.775 34.670 ( -1.073 4.094 -1.357) 4.445 34.747 ( 0.249 1.720 1.376) 2.217 35.098 ( 1.775 9.114 -3.759) 10.018 35.246 ( 5.552 4.314 3.805) 7.994 35.830 ( 4.474 -3.893 -2.325) 6.370 35.883 ( 5.088 -5.765 -0.523) 7.707 36.162 ( 4.050 0.109 1.406) 4.288 36.226 ( 2.526 -2.906 0.818) 3.936 36.931 ( 1.196 6.481 -2.359) 7.000 37.041 ( 2.717 5.347 1.767) 6.252 37.311 ( 0.527 7.734 0.450) 7.765 37.344 ( 1.065 8.607 -0.244) 8.676 37.458 ( 2.977 -0.007 -2.736) 4.043 37.564 ( -2.863 -1.065 -0.117) 3.057 37.947 ( -7.407 12.206 -4.694) 15.029 38.831 ( -5.366 -27.419 0.815) 27.951 ======================= Grid point 22 (15/76) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.774 -0.583 3.717) 7.749 1.778 ( 0.707 0.540 -2.213) 2.385 1.931 ( -0.844 -7.761 -1.928) 8.041 2.025 ( 5.710 0.770 1.984) 6.093 2.215 ( 2.109 3.743 -2.416) 4.929 2.392 ( -1.463 -15.521 -0.704) 15.605 2.652 ( 4.945 -8.787 11.734) 15.471 2.799 ( 0.112 -9.033 -6.678) 11.234 2.888 ( -0.397 6.218 -2.377) 6.668 3.053 ( -1.374 0.937 -0.844) 1.865 3.132 ( 0.261 -2.359 8.656) 8.975 3.201 ( 1.048 -3.581 0.221) 3.738 3.237 ( -0.872 5.480 -1.414) 5.726 3.269 ( 1.754 0.315 -4.503) 4.843 3.376 ( -5.015 2.139 -5.220) 7.548 3.466 ( 0.817 3.302 0.793) 3.493 3.525 ( 4.263 9.967 -1.479) 10.941 3.559 ( 1.012 4.257 3.195) 5.418 3.626 ( -2.876 1.888 -0.035) 3.440 3.766 ( 4.601 -0.616 3.169) 5.621 3.869 ( -1.755 5.857 -0.955) 6.189 3.890 ( -3.561 14.589 -2.719) 15.261 4.037 ( -0.652 4.871 2.494) 5.511 4.090 ( -3.608 6.596 0.757) 7.556 4.137 ( 2.041 2.466 -3.261) 4.569 4.372 ( 4.134 7.698 -1.652) 8.893 4.468 ( 0.180 4.856 -0.823) 4.929 4.505 ( -0.571 6.120 -2.360) 6.584 4.611 ( 1.175 3.255 -1.393) 3.731 4.716 ( 0.474 10.253 2.858) 10.655 4.731 ( 0.175 7.084 -1.034) 7.162 4.852 ( -0.606 -4.113 2.378) 4.790 4.987 ( 3.183 5.043 8.402) 10.303 5.105 ( -1.311 0.949 -6.039) 6.252 5.302 ( 5.874 -4.521 3.383) 8.148 5.612 ( 1.184 -9.139 -0.006) 9.216 5.732 ( -1.136 -0.596 1.737) 2.159 5.764 ( 0.409 2.010 0.092) 2.053 5.817 ( -5.302 -2.577 -3.321) 6.766 5.935 ( -1.641 -3.539 -3.011) 4.928 6.146 ( 0.228 2.099 1.520) 2.602 6.164 ( -1.084 0.142 1.503) 1.859 6.340 ( 2.325 3.497 2.251) 4.764 6.451 ( 4.120 -1.219 -2.723) 5.087 6.490 ( -2.844 1.529 1.187) 3.440 6.670 ( 0.995 -1.770 0.017) 2.030 6.706 ( 0.624 4.528 -0.604) 4.610 6.743 ( 2.370 2.680 2.169) 4.184 6.796 ( 1.438 0.793 0.796) 1.824 6.901 ( 0.746 -0.849 -4.389) 4.532 6.935 ( -0.261 -3.009 3.975) 4.993 7.055 ( 1.740 -4.355 -1.759) 5.009 7.100 ( -4.065 -0.091 0.813) 4.146 7.156 ( -0.600 0.092 -6.994) 7.021 7.276 ( -0.191 7.566 2.014) 7.832 7.333 ( -4.305 1.945 -2.628) 5.406 7.483 ( -2.776 12.460 -1.888) 12.905 7.578 ( -0.775 6.707 -0.350) 6.760 7.712 ( 1.164 1.837 2.677) 3.449 7.739 ( -0.038 3.652 0.143) 3.655 7.785 ( -1.600 6.103 1.328) 6.447 7.851 ( -3.925 1.182 -4.207) 5.874 8.005 ( -1.875 4.229 -0.489) 4.652 8.156 ( 6.374 -6.404 4.715) 10.192 8.196 ( 0.609 6.703 1.069) 6.815 8.249 ( -2.073 -3.453 -0.522) 4.061 8.280 ( 1.424 -1.465 2.535) 3.256 8.585 ( -3.699 -20.062 1.332) 20.444 9.161 ( 0.600 -6.476 1.403) 6.653 9.183 ( -0.785 -3.682 -0.233) 3.772 9.260 ( -3.484 -8.982 -2.595) 9.978 9.559 ( -1.032 -17.970 1.300) 18.047 12.612 ( 2.003 -1.742 0.089) 2.656 12.641 ( -1.403 -1.973 -0.169) 2.427 12.775 ( 1.063 -1.193 -0.051) 1.599 12.796 ( -1.158 -1.062 -0.361) 1.612 13.093 ( 0.999 -1.146 0.288) 1.547 13.095 ( 0.650 -0.928 0.195) 1.150 13.242 ( -0.254 -3.526 -0.594) 3.585 13.313 ( -0.631 -7.439 -0.145) 7.468 14.649 ( -1.250 8.068 -1.532) 8.307 14.819 ( -0.332 7.368 -0.113) 7.377 14.951 ( -0.620 17.778 -0.410) 17.794 14.985 ( 1.016 12.556 2.370) 12.818 15.035 ( -0.229 4.985 -1.619) 5.247 15.078 ( 1.094 -1.573 0.297) 1.939 15.160 ( 0.121 2.861 -0.386) 2.889 15.222 ( 2.447 -2.033 1.121) 3.373 18.082 ( -0.408 -13.485 0.055) 13.492 18.110 ( 0.088 -15.082 0.656) 15.096 18.116 ( -1.114 -13.556 -0.746) 13.622 18.194 ( -0.485 -16.029 -0.088) 16.037 18.444 ( 0.484 2.258 0.357) 2.337 18.454 ( -0.216 2.010 -0.428) 2.066 18.477 ( -1.510 1.556 -0.385) 2.202 18.493 ( -2.048 2.213 0.466) 3.051 20.713 ( -0.029 2.748 -0.043) 2.748 20.771 ( 0.031 3.591 0.175) 3.595 20.835 ( 0.024 -2.534 -0.117) 2.537 20.895 ( 0.134 -1.661 0.115) 1.671 21.157 ( -0.222 -0.112 0.274) 0.370 21.160 ( -0.118 -0.309 -0.588) 0.675 21.215 ( 0.193 0.749 0.165) 0.790 21.250 ( 0.058 -0.628 0.280) 0.690 22.170 ( -0.065 1.439 0.172) 1.450 22.268 ( -0.329 -2.823 0.744) 2.938 22.377 ( -0.568 -0.779 -0.898) 1.317 22.400 ( -0.220 -1.359 -0.002) 1.377 24.038 ( -0.117 0.273 -0.077) 0.307 24.057 ( 0.046 -0.596 0.333) 0.684 24.161 ( 0.038 0.640 -0.362) 0.736 24.174 ( 0.229 0.139 0.020) 0.269 27.059 ( 0.518 -0.983 0.599) 1.262 27.071 ( 0.434 -0.102 -0.569) 0.723 27.094 ( -0.104 -1.384 -0.801) 1.603 27.240 ( 0.979 -5.185 0.698) 5.322 27.553 ( -0.207 4.957 -0.177) 4.964 27.578 ( -0.535 4.418 -0.503) 4.479 27.719 ( 0.148 9.580 0.159) 9.583 27.790 ( 0.888 6.317 0.744) 6.423 33.496 ( -1.990 3.737 -0.767) 4.303 33.642 ( -0.295 5.706 1.239) 5.847 33.767 ( -2.454 -6.545 -2.114) 7.303 33.871 ( -0.247 -1.059 -0.096) 1.092 33.917 ( 0.312 0.412 0.142) 0.536 33.950 ( -0.482 1.258 -0.118) 1.352 33.998 ( 0.352 0.169 0.551) 0.675 34.149 ( -0.534 -12.504 1.415) 12.595 34.653 ( -0.204 3.433 -0.394) 3.461 34.767 ( 0.473 -0.876 0.875) 1.325 35.089 ( 0.389 12.927 -1.768) 13.053 35.357 ( 3.079 3.267 2.386) 5.084 35.843 ( 0.596 -1.913 -2.137) 2.930 35.949 ( 2.289 -7.385 0.212) 7.735 36.222 ( 1.709 -1.037 -0.219) 2.011 36.258 ( 0.545 -2.469 1.132) 2.770 36.933 ( 0.421 5.721 -0.366) 5.749 37.102 ( 3.152 3.785 1.856) 5.263 37.202 ( -5.117 0.684 -5.146) 7.290 37.408 ( 5.552 8.707 -1.273) 10.405 37.495 ( -5.632 3.158 1.631) 6.660 37.599 ( 6.389 11.101 7.979) 15.091 37.787 ( -5.484 7.803 -7.624) 12.210 38.776 ( -1.727 -29.442 0.155) 29.493 ======================= Grid point 27 (16/76) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 -11.158 0.000) 11.158 1.267 ( 0.000 11.158 0.000) 11.158 1.650 ( 0.000 -13.095 0.000) 13.095 1.650 ( 0.000 13.095 0.000) 13.095 2.177 ( 0.000 -15.035 0.000) 15.035 2.177 ( 0.000 15.035 0.000) 15.035 2.534 ( 0.000 -5.448 0.000) 5.448 2.534 ( 0.000 5.448 0.000) 5.448 2.801 ( 0.000 -3.779 0.000) 3.779 2.801 ( 0.000 3.779 0.000) 3.779 2.969 ( 0.000 -3.007 0.000) 3.007 2.969 ( 0.000 3.007 0.000) 3.007 3.191 ( 0.000 -5.571 0.000) 5.571 3.191 ( 0.000 5.571 0.000) 5.571 3.362 ( 0.000 -3.690 0.000) 3.690 3.362 ( 0.000 3.690 0.000) 3.690 3.621 ( 0.000 -1.835 0.000) 1.835 3.621 ( 0.000 1.835 0.000) 1.835 3.850 ( 0.000 -3.506 0.000) 3.506 3.850 ( 0.000 3.506 0.000) 3.506 4.004 ( 0.000 -1.532 0.000) 1.532 4.004 ( 0.000 1.532 0.000) 1.532 4.115 ( 0.000 -7.420 0.000) 7.420 4.115 ( 0.000 7.420 0.000) 7.420 4.291 ( 0.000 -5.766 0.000) 5.766 4.291 ( 0.000 5.766 0.000) 5.766 4.335 ( 0.000 -10.364 0.000) 10.364 4.335 ( 0.000 10.364 0.000) 10.364 4.599 ( 0.000 -3.410 0.000) 3.410 4.599 ( 0.000 3.410 0.000) 3.410 4.881 ( 0.000 -2.938 0.000) 2.938 4.881 ( 0.000 2.938 0.000) 2.938 5.070 ( 0.000 -8.215 0.000) 8.215 5.070 ( 0.000 8.215 0.000) 8.215 5.224 ( 0.000 -5.717 0.000) 5.717 5.224 ( 0.000 5.717 0.000) 5.717 5.730 ( 0.000 -7.080 0.000) 7.080 5.730 ( 0.000 7.080 0.000) 7.080 5.826 ( 0.000 -3.310 0.000) 3.310 5.826 ( 0.000 3.310 0.000) 3.310 6.084 ( 0.000 -1.885 0.000) 1.885 6.084 ( 0.000 1.885 0.000) 1.885 6.500 ( 0.000 -2.339 0.000) 2.339 6.500 ( 0.000 2.339 0.000) 2.339 6.688 ( 0.000 -3.463 0.000) 3.463 6.688 ( 0.000 3.463 0.000) 3.463 6.753 ( 0.000 -1.960 0.000) 1.960 6.753 ( 0.000 1.960 0.000) 1.960 6.812 ( 0.000 -1.122 0.000) 1.122 6.812 ( 0.000 1.122 0.000) 1.122 6.958 ( 0.000 -10.163 0.000) 10.163 6.958 ( 0.000 10.163 0.000) 10.163 7.235 ( 0.000 -5.541 0.000) 5.541 7.235 ( 0.000 5.541 0.000) 5.541 7.553 ( 0.000 -8.986 0.000) 8.986 7.553 ( 0.000 8.986 0.000) 8.986 7.761 ( 0.000 -6.036 0.000) 6.036 7.761 ( 0.000 6.036 0.000) 6.036 7.852 ( 0.000 -3.326 0.000) 3.326 7.852 ( 0.000 3.326 0.000) 3.326 7.986 ( 0.000 -9.783 0.000) 9.783 7.986 ( 0.000 9.783 0.000) 9.783 8.045 ( 0.000 -6.929 0.000) 6.929 8.045 ( 0.000 6.929 0.000) 6.929 8.181 ( 0.000 -4.757 0.000) 4.757 8.181 ( 0.000 4.757 0.000) 4.757 8.296 ( 0.000 -4.252 0.000) 4.252 8.296 ( 0.000 4.252 0.000) 4.252 9.284 ( 0.000 -1.464 0.000) 1.464 9.284 ( 0.000 1.464 0.000) 1.464 9.575 ( 0.000 -4.090 0.000) 4.090 9.575 ( 0.000 4.090 0.000) 4.090 12.597 ( 0.000 -5.880 0.000) 5.880 12.597 ( 0.000 5.880 0.000) 5.880 12.662 ( 0.000 -3.110 0.000) 3.110 12.662 ( 0.000 3.110 0.000) 3.110 13.029 ( 0.000 -0.423 0.000) 0.423 13.029 ( 0.000 0.423 0.000) 0.423 13.255 ( 0.000 -1.596 0.000) 1.596 13.255 ( 0.000 1.596 0.000) 1.596 14.897 ( 0.000 -1.912 0.000) 1.912 14.897 ( 0.000 1.912 0.000) 1.912 14.975 ( 0.000 -3.326 0.000) 3.326 14.975 ( 0.000 3.326 0.000) 3.326 15.054 ( 0.000 -2.801 0.000) 2.801 15.054 ( 0.000 2.801 0.000) 2.801 15.188 ( 0.000 -2.669 0.000) 2.669 15.188 ( 0.000 2.669 0.000) 2.669 17.992 ( 0.000 -2.821 0.000) 2.821 17.992 ( 0.000 2.821 0.000) 2.821 18.061 ( 0.000 -0.296 0.000) 0.296 18.061 ( 0.000 0.296 0.000) 0.296 18.563 ( 0.000 -2.091 0.000) 2.091 18.563 ( 0.000 2.091 0.000) 2.091 18.608 ( 0.000 -4.514 0.000) 4.514 18.608 ( 0.000 4.514 0.000) 4.514 20.785 ( 0.000 -2.631 0.000) 2.631 20.785 ( 0.000 2.631 0.000) 2.631 20.819 ( 0.000 -2.700 0.000) 2.700 20.819 ( 0.000 2.700 0.000) 2.700 21.165 ( 0.000 -0.637 0.000) 0.637 21.165 ( 0.000 0.637 0.000) 0.637 21.236 ( 0.000 -0.158 0.000) 0.158 21.236 ( 0.000 0.158 0.000) 0.158 22.227 ( 0.000 -3.232 0.000) 3.232 22.227 ( 0.000 3.232 0.000) 3.232 22.409 ( 0.000 -0.225 0.000) 0.225 22.409 ( 0.000 0.225 0.000) 0.225 24.050 ( 0.000 -0.064 0.000) 0.064 24.050 ( 0.000 0.064 0.000) 0.064 24.150 ( 0.000 -0.043 0.000) 0.043 24.150 ( 0.000 0.043 0.000) 0.043 26.971 ( 0.000 -1.795 0.000) 1.795 26.971 ( 0.000 1.795 0.000) 1.795 27.065 ( 0.000 -0.612 0.000) 0.612 27.065 ( 0.000 0.612 0.000) 0.612 27.629 ( 0.000 -0.100 0.000) 0.100 27.629 ( 0.000 0.100 0.000) 0.100 27.799 ( 0.000 -2.941 0.000) 2.941 27.799 ( 0.000 2.941 0.000) 2.941 33.797 ( 0.000 -1.459 0.000) 1.459 33.797 ( 0.000 1.459 0.000) 1.459 33.925 ( 0.000 -0.230 0.000) 0.230 33.925 ( 0.000 0.230 0.000) 0.230 33.973 ( 0.000 -3.519 0.000) 3.519 33.973 ( 0.000 3.519 0.000) 3.519 34.152 ( 0.000 -3.820 0.000) 3.820 34.152 ( 0.000 3.820 0.000) 3.820 34.824 ( 0.000 -3.852 0.000) 3.852 34.824 ( 0.000 3.852 0.000) 3.852 35.111 ( 0.000 -4.368 0.000) 4.368 35.111 ( 0.000 4.368 0.000) 4.368 35.533 ( 0.000 -0.783 0.000) 0.783 35.533 ( 0.000 0.783 0.000) 0.783 36.003 ( 0.000 -0.101 0.000) 0.101 36.003 ( 0.000 0.101 0.000) 0.101 36.983 ( 0.000 -4.992 0.000) 4.992 36.983 ( 0.000 4.992 0.000) 4.992 37.092 ( 0.000 -2.846 0.000) 2.846 37.092 ( 0.000 2.846 0.000) 2.846 37.647 ( 0.000 -2.012 0.000) 2.012 37.647 ( 0.000 2.012 0.000) 2.012 38.767 ( 0.000 -18.386 0.000) 18.386 38.767 ( 0.000 18.386 0.000) 18.386 ======================= Grid point 29 (17/76) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 3.177 -12.481 3.496) 13.345 1.313 ( 3.177 12.481 3.496) 13.345 1.717 ( 4.929 -13.356 4.221) 14.850 1.717 ( 4.929 13.356 4.221) 14.850 2.201 ( -2.413 -25.002 4.952) 25.602 2.201 ( -2.413 25.002 4.952) 25.602 2.568 ( 7.970 -2.051 1.161) 8.311 2.568 ( 7.970 2.051 1.161) 8.311 2.750 ( -5.038 -1.735 -5.780) 7.861 2.750 ( -5.038 1.735 -5.780) 7.861 3.036 ( 9.379 -4.279 -5.185) 11.540 3.036 ( 9.379 4.279 -5.185) 11.540 3.177 ( 2.954 -4.512 -1.770) 5.676 3.177 ( 2.954 4.512 -1.770) 5.676 3.405 ( 0.872 -3.200 2.405) 4.097 3.405 ( 0.872 3.200 2.405) 4.097 3.629 ( -0.462 -5.984 1.436) 6.171 3.629 ( -0.462 5.984 1.436) 6.171 3.876 ( 0.655 -9.408 2.578) 9.777 3.876 ( 0.655 9.408 2.578) 9.777 3.939 ( -4.704 -0.994 -1.974) 5.197 3.939 ( -4.704 0.994 -1.974) 5.197 4.091 ( 1.443 -5.475 -6.500) 8.620 4.091 ( 1.443 5.475 -6.500) 8.620 4.296 ( 3.085 -3.039 -2.874) 5.197 4.296 ( 3.085 3.039 -2.874) 5.197 4.377 ( 1.799 -8.497 4.312) 9.697 4.377 ( 1.799 8.497 4.312) 9.697 4.659 ( 4.926 -5.507 1.578) 7.556 4.659 ( 4.926 5.507 1.578) 7.556 4.864 ( -3.000 -2.696 2.450) 4.719 4.864 ( -3.000 2.696 2.450) 4.719 5.003 ( -2.842 -6.858 -6.921) 10.150 5.003 ( -2.842 6.858 -6.921) 10.150 5.264 ( 1.224 -6.260 4.522) 7.819 5.264 ( 1.224 6.260 4.522) 7.819 5.737 ( 0.202 -7.259 1.104) 7.345 5.737 ( 0.202 7.259 1.104) 7.345 5.865 ( 2.062 -3.442 4.734) 6.205 5.865 ( 2.062 3.442 4.734) 6.205 6.038 ( -3.057 -0.824 -3.241) 4.531 6.038 ( -3.057 0.824 -3.241) 4.531 6.514 ( -0.438 -2.478 3.152) 4.033 6.514 ( -0.438 2.478 3.152) 4.033 6.679 ( -2.821 -2.712 -1.218) 4.099 6.679 ( -2.821 2.712 -1.218) 4.099 6.739 ( 0.839 -2.106 1.945) 2.986 6.739 ( 0.839 2.106 1.945) 2.986 6.810 ( -1.016 -1.384 -0.262) 1.737 6.810 ( -1.016 1.384 -0.262) 1.737 6.959 ( 0.210 -6.792 -1.247) 6.909 6.959 ( 0.210 6.792 -1.247) 6.909 7.270 ( 2.937 -6.169 0.778) 6.876 7.270 ( 2.937 6.169 0.778) 6.876 7.549 ( -0.363 -9.375 0.216) 9.384 7.549 ( -0.363 9.375 0.216) 9.384 7.743 ( -1.893 -6.226 -0.702) 6.545 7.743 ( -1.893 6.226 -0.702) 6.545 7.838 ( -1.889 -3.980 1.039) 4.526 7.838 ( -1.889 3.980 1.039) 4.526 7.972 ( -0.263 -15.045 -3.769) 15.512 7.972 ( -0.263 15.045 -3.769) 15.512 8.029 ( -0.441 -4.891 0.032) 4.911 8.029 ( -0.441 4.891 0.032) 4.911 8.207 ( -1.380 -4.950 1.050) 5.245 8.207 ( -1.380 4.950 1.050) 5.245 8.266 ( 0.318 -6.401 -1.259) 6.532 8.266 ( 0.318 6.401 -1.259) 6.532 9.283 ( -1.713 -2.682 2.137) 3.833 9.283 ( -1.713 2.682 2.137) 3.833 9.492 ( -6.787 -5.350 -3.185) 9.211 9.492 ( -6.787 5.350 -3.185) 9.211 12.578 ( -0.314 -3.322 -0.594) 3.389 12.578 ( -0.314 3.322 -0.594) 3.389 12.691 ( 1.748 -1.330 -0.115) 2.199 12.691 ( 1.748 1.330 -0.115) 2.199 13.069 ( 2.737 -0.849 2.464) 3.779 13.069 ( 2.737 0.849 2.464) 3.779 13.231 ( -1.756 -1.452 -1.231) 2.590 13.231 ( -1.756 1.452 -1.231) 2.590 14.862 ( -1.904 -3.889 0.014) 4.330 14.862 ( -1.904 3.889 0.014) 4.330 14.977 ( 0.621 -0.602 0.023) 0.865 14.977 ( 0.621 0.602 0.023) 0.865 15.116 ( 2.832 -2.514 0.867) 3.885 15.116 ( 2.832 2.514 0.867) 3.885 15.179 ( 0.160 -1.859 -0.238) 1.881 15.179 ( 0.160 1.859 -0.238) 1.881 17.979 ( -1.308 -1.926 -0.325) 2.351 17.979 ( -1.308 1.926 -0.325) 2.351 18.060 ( -0.603 -0.459 0.667) 1.010 18.060 ( -0.603 0.459 0.667) 1.010 18.554 ( -1.151 -2.322 0.315) 2.610 18.554 ( -1.151 2.322 0.315) 2.610 18.592 ( -1.501 -4.013 -0.493) 4.312 18.592 ( -1.501 4.013 -0.493) 4.312 20.783 ( -0.091 -2.694 -0.115) 2.698 20.783 ( -0.091 2.694 -0.115) 2.698 20.822 ( 0.215 -2.763 0.259) 2.783 20.822 ( 0.215 2.763 0.259) 2.783 21.166 ( 0.024 -0.548 0.056) 0.552 21.166 ( 0.024 0.548 0.056) 0.552 21.233 ( -0.251 -0.275 -0.156) 0.404 21.233 ( -0.251 0.275 -0.156) 0.404 22.224 ( -0.456 -3.084 0.377) 3.140 22.224 ( -0.456 3.084 0.377) 3.140 22.408 ( -0.130 -0.652 -0.122) 0.676 22.408 ( -0.130 0.652 -0.122) 0.676 24.050 ( -0.167 -0.163 0.187) 0.299 24.050 ( -0.167 0.163 0.187) 0.299 24.153 ( 0.504 -0.129 -0.242) 0.574 24.153 ( 0.504 0.129 -0.242) 0.574 26.975 ( 1.041 -0.518 -0.272) 1.194 26.975 ( 1.041 0.518 -0.272) 1.194 27.081 ( 1.199 -1.263 0.266) 1.761 27.081 ( 1.199 1.263 0.266) 1.761 27.639 ( 0.395 -0.064 1.309) 1.369 27.639 ( 0.395 0.064 1.309) 1.369 27.794 ( 0.293 -2.505 -1.530) 2.950 27.794 ( 0.293 2.505 -1.530) 2.950 33.807 ( -0.212 -1.772 2.240) 2.864 33.807 ( -0.212 1.772 2.240) 2.864 33.886 ( -3.453 -1.210 -2.313) 4.329 33.886 ( -3.453 1.210 -2.313) 4.329 33.956 ( -1.756 -2.216 0.731) 2.921 33.956 ( -1.756 2.216 0.731) 2.921 34.111 ( -3.335 -3.012 -1.313) 4.681 34.111 ( -3.335 3.012 -1.313) 4.681 34.817 ( -1.656 -2.333 0.653) 2.935 34.817 ( -1.656 2.333 0.653) 2.935 35.124 ( 2.460 -3.409 -1.138) 4.355 35.124 ( 2.460 3.409 -1.138) 4.355 35.590 ( 5.570 -0.184 0.909) 5.647 35.590 ( 5.570 0.184 0.909) 5.647 36.037 ( 3.556 -0.834 0.180) 3.657 36.037 ( 3.556 0.834 0.180) 3.657 36.971 ( 0.135 -3.744 1.085) 3.901 36.971 ( 0.135 3.744 1.085) 3.901 37.187 ( 8.902 -4.220 -0.551) 9.867 37.187 ( 8.902 4.220 -0.551) 9.867 37.610 ( -3.429 -2.256 -1.401) 4.337 37.610 ( -3.429 2.256 -1.401) 4.337 38.686 ( -8.579 -18.272 -0.744) 20.200 38.686 ( -8.579 18.272 -0.744) 20.200 ======================= Grid point 31 (18/76) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 5.532 -13.046 3.605) 14.622 1.419 ( 5.532 13.046 3.605) 14.622 1.860 ( 5.883 -13.617 6.056) 16.022 1.860 ( 5.883 13.617 6.056) 16.022 2.197 ( -0.151 -20.724 1.413) 20.772 2.197 ( -0.151 20.724 1.413) 20.772 2.560 ( -4.903 -7.693 -7.280) 11.671 2.560 ( -4.903 7.693 -7.280) 11.671 2.812 ( 9.956 -6.599 6.179) 13.448 2.812 ( 9.956 6.599 6.179) 13.448 3.109 ( 4.248 -5.491 -6.595) 9.575 3.109 ( 4.248 5.491 -6.595) 9.575 3.299 ( 11.731 -4.762 0.098) 12.661 3.299 ( 11.731 4.762 0.098) 12.661 3.402 ( -1.511 -2.333 -1.609) 3.212 3.402 ( -1.511 2.333 -1.609) 3.212 3.606 ( -3.241 -7.494 0.497) 8.180 3.606 ( -3.241 7.494 0.497) 8.180 3.812 ( -5.987 -1.414 -1.009) 6.234 3.812 ( -5.987 1.414 -1.009) 6.234 3.934 ( 1.489 -4.728 1.592) 5.207 3.934 ( 1.489 4.728 1.592) 5.207 4.085 ( 2.360 -3.025 -1.599) 4.157 4.085 ( 2.360 3.025 -1.599) 4.157 4.339 ( 3.171 -5.091 -1.563) 6.198 4.339 ( 3.171 5.091 -1.563) 6.198 4.473 ( 5.859 -14.497 2.992) 15.920 4.473 ( 5.859 14.497 2.992) 15.920 4.753 ( 4.540 -6.492 -0.686) 7.952 4.753 ( 4.540 6.492 -0.686) 7.952 4.839 ( -2.373 -4.221 3.600) 6.034 4.839 ( -2.373 4.221 3.600) 6.034 4.884 ( -3.084 -3.868 -6.231) 7.956 4.884 ( -3.084 3.868 -6.231) 7.956 5.323 ( 2.003 -9.695 1.794) 10.061 5.323 ( 2.003 9.695 1.794) 10.061 5.758 ( 0.636 -6.615 2.201) 7.001 5.758 ( 0.636 6.615 2.201) 7.001 5.930 ( -2.552 -0.164 1.095) 2.782 5.930 ( -2.552 0.164 1.095) 2.782 6.000 ( 4.312 -2.270 3.250) 5.858 6.000 ( 4.312 2.270 3.250) 5.858 6.489 ( -6.842 -2.114 0.631) 7.189 6.489 ( -6.842 2.114 0.631) 7.189 6.623 ( -0.707 -1.664 -0.435) 1.860 6.623 ( -0.707 1.664 -0.435) 1.860 6.759 ( -1.893 -1.037 1.709) 2.753 6.759 ( -1.893 1.037 1.709) 2.753 6.802 ( 0.958 -1.382 0.454) 1.742 6.802 ( 0.958 1.382 0.454) 1.742 6.946 ( 0.361 -3.581 -1.485) 3.894 6.946 ( 0.361 3.581 -1.485) 3.894 7.296 ( 0.492 -4.456 -4.120) 6.089 7.296 ( 0.492 4.456 -4.120) 6.089 7.539 ( -0.962 -9.018 -1.968) 9.280 7.539 ( -0.962 9.018 -1.968) 9.280 7.694 ( -2.322 -3.855 -0.978) 4.605 7.694 ( -2.322 3.855 -0.978) 4.605 7.829 ( -1.048 -4.587 3.954) 6.146 7.829 ( -1.048 4.587 3.954) 6.146 7.931 ( -2.120 -8.670 -0.036) 8.926 7.931 ( -2.120 8.670 -0.036) 8.926 8.000 ( -1.730 -5.921 -2.972) 6.848 8.000 ( -1.730 5.921 -2.972) 6.848 8.178 ( -0.326 -4.538 -0.432) 4.571 8.178 ( -0.326 4.538 -0.432) 4.571 8.288 ( 0.675 -4.946 1.614) 5.246 8.288 ( 0.675 4.946 1.614) 5.246 9.239 ( -5.065 -4.394 0.271) 6.711 9.239 ( -5.065 4.394 0.271) 6.711 9.361 ( -5.462 -1.355 0.056) 5.628 9.361 ( -5.462 1.355 0.056) 5.628 12.588 ( 1.049 -3.416 0.426) 3.598 12.588 ( 1.049 3.416 0.426) 3.598 12.712 ( 1.688 -3.127 -0.530) 3.593 12.712 ( 1.688 3.127 -0.530) 3.593 13.109 ( -0.352 -0.518 -0.768) 0.990 13.109 ( -0.352 0.518 -0.768) 0.990 13.211 ( 0.475 -0.765 0.876) 1.256 13.211 ( 0.475 0.765 0.876) 1.256 14.872 ( 1.663 -3.163 2.000) 4.095 14.872 ( 1.663 3.163 2.000) 4.095 14.964 ( -1.952 -3.686 -1.186) 4.336 14.964 ( -1.952 3.686 -1.186) 4.336 15.136 ( 1.735 -1.569 -0.696) 2.441 15.136 ( 1.735 1.569 -0.696) 2.441 15.206 ( 1.322 -1.421 0.402) 1.982 15.206 ( 1.322 1.421 0.402) 1.982 17.949 ( -1.790 -0.857 -0.154) 1.990 17.949 ( -1.790 0.857 -0.154) 1.990 18.045 ( -1.675 -0.659 0.175) 1.808 18.045 ( -1.675 0.659 0.175) 1.808 18.530 ( -1.941 -2.061 0.274) 2.845 18.530 ( -1.941 2.061 0.274) 2.845 18.557 ( -1.914 -2.535 -0.290) 3.189 18.557 ( -1.914 2.535 -0.290) 3.189 20.780 ( -0.104 -2.840 -0.194) 2.848 20.780 ( -0.104 2.840 -0.194) 2.848 20.830 ( 0.318 -2.865 0.421) 2.913 20.830 ( 0.318 2.865 0.421) 2.913 21.166 ( -0.046 -0.270 -0.053) 0.279 21.166 ( -0.046 0.270 -0.053) 0.279 21.227 ( -0.201 -0.579 0.005) 0.613 21.227 ( -0.201 0.579 0.005) 0.613 22.219 ( -0.622 -2.784 0.561) 2.907 22.219 ( -0.622 2.784 0.561) 2.907 22.401 ( -0.459 -0.835 -0.338) 1.011 22.401 ( -0.459 0.835 -0.338) 1.011 24.048 ( -0.260 -0.112 0.288) 0.404 24.048 ( -0.260 0.112 0.288) 0.404 24.161 ( 0.692 -0.121 -0.360) 0.789 24.161 ( 0.692 0.121 -0.360) 0.789 27.007 ( 2.486 -2.081 0.238) 3.251 27.007 ( 2.486 2.081 0.238) 3.251 27.098 ( 0.755 -1.899 -0.235) 2.057 27.098 ( 0.755 1.899 -0.235) 2.057 27.653 ( -0.218 -0.582 0.684) 0.924 27.653 ( -0.218 0.582 0.684) 0.924 27.791 ( 1.049 -1.325 -0.835) 1.885 27.791 ( 1.049 1.325 -0.835) 1.885 33.777 ( -5.211 -3.566 -2.162) 6.674 33.777 ( -5.211 3.566 -2.162) 6.674 33.830 ( -1.032 -4.497 2.563) 5.278 33.830 ( -1.032 4.497 2.563) 5.278 33.931 ( -1.388 -0.817 -0.040) 1.612 33.931 ( -1.388 0.817 -0.040) 1.612 34.048 ( -2.795 -0.767 -0.074) 2.899 34.048 ( -2.795 0.767 -0.074) 2.899 34.779 ( -2.363 -0.989 -0.596) 2.630 34.779 ( -2.363 0.989 -0.596) 2.630 35.176 ( 4.251 -1.777 -0.242) 4.614 35.176 ( 4.251 1.777 -0.242) 4.614 35.705 ( 6.678 -1.375 -0.018) 6.818 35.705 ( 6.678 1.375 -0.018) 6.818 36.110 ( 4.169 -1.628 0.655) 4.524 36.110 ( 4.169 1.628 0.655) 4.524 37.016 ( 4.174 -2.146 -0.758) 4.754 37.016 ( 4.174 2.146 -0.758) 4.754 37.334 ( 8.115 -4.075 -1.443) 9.195 37.334 ( 8.115 4.075 -1.443) 9.195 37.527 ( -4.896 -4.237 1.413) 6.627 37.527 ( -4.896 4.237 1.413) 6.627 38.495 ( -11.547 -18.864 -1.894) 22.198 38.495 ( -11.547 18.864 -1.894) 22.198 ======================= Grid point 33 (19/76) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 6.554 -9.561 2.881) 11.944 1.555 ( 6.554 9.561 2.881) 11.944 1.995 ( 4.813 -6.765 1.401) 8.420 1.995 ( 4.813 6.765 1.401) 8.420 2.183 ( -2.239 -6.366 0.981) 6.819 2.183 ( -2.239 6.366 0.981) 6.819 2.523 ( 5.049 -14.572 -1.703) 15.515 2.523 ( 5.049 14.572 -1.703) 15.515 2.978 ( 3.689 -3.999 5.770) 7.931 2.978 ( 3.689 3.999 5.770) 7.931 3.087 ( 0.010 -4.771 -4.021) 6.239 3.087 ( 0.010 4.771 -4.021) 6.239 3.332 ( -1.588 -0.887 -5.528) 5.820 3.332 ( -1.588 0.887 -5.528) 5.820 3.488 ( 4.728 -3.076 -1.713) 5.895 3.488 ( 4.728 3.076 -1.713) 5.895 3.575 ( 2.963 -5.117 0.039) 5.913 3.575 ( 2.963 5.117 0.039) 5.913 3.706 ( -5.808 -1.387 1.072) 6.067 3.706 ( -5.808 1.387 1.072) 6.067 3.972 ( 1.539 -3.585 0.688) 3.962 3.972 ( 1.539 3.585 0.688) 3.962 4.123 ( -0.505 -4.311 4.744) 6.430 4.123 ( -0.505 4.311 4.744) 6.430 4.360 ( 2.851 -4.739 -4.560) 7.168 4.360 ( 2.851 4.739 -4.560) 7.168 4.565 ( 0.143 -15.337 0.398) 15.343 4.565 ( 0.143 15.337 0.398) 15.343 4.733 ( -0.997 -4.402 -2.892) 5.361 4.733 ( -0.997 4.402 -2.892) 5.361 4.822 ( 0.487 -1.451 -0.261) 1.552 4.822 ( 0.487 1.451 -0.261) 1.552 4.947 ( 7.760 -9.266 4.959) 13.064 4.947 ( 7.760 9.266 4.959) 13.064 5.354 ( 1.589 -12.465 -1.710) 12.682 5.354 ( 1.589 12.465 -1.710) 12.682 5.782 ( -0.828 -3.501 1.979) 4.106 5.782 ( -0.828 3.501 1.979) 4.106 5.889 ( -1.111 -2.249 -1.308) 2.829 5.889 ( -1.111 2.249 -1.308) 2.829 6.135 ( 3.781 -3.208 4.931) 6.993 6.135 ( 3.781 3.208 4.931) 6.993 6.353 ( -4.325 -2.906 -0.922) 5.291 6.353 ( -4.325 2.906 -0.922) 5.291 6.611 ( -1.533 -2.856 -0.153) 3.245 6.611 ( -1.533 2.856 -0.153) 3.245 6.759 ( 0.737 -0.573 1.440) 1.716 6.759 ( 0.737 0.573 1.440) 1.716 6.824 ( -0.201 -3.738 3.110) 4.867 6.824 ( -0.201 3.738 3.110) 4.867 6.943 ( 1.565 -2.181 -3.974) 4.795 6.943 ( 1.565 2.181 -3.974) 4.795 7.218 ( -3.585 -2.708 -5.766) 7.310 7.218 ( -3.585 2.708 -5.766) 7.310 7.460 ( -3.154 -4.219 -5.601) 7.689 7.460 ( -3.154 4.219 -5.601) 7.689 7.676 ( -1.941 -2.460 3.158) 4.449 7.676 ( -1.941 2.460 3.158) 4.449 7.835 ( -2.154 -7.394 1.200) 7.794 7.835 ( -2.154 7.394 1.200) 7.794 7.888 ( -1.999 -2.073 0.498) 2.922 7.888 ( -1.999 2.073 0.498) 2.922 7.989 ( 1.681 -10.834 0.874) 10.998 7.989 ( 1.681 10.834 0.874) 10.998 8.171 ( -0.080 -2.626 0.096) 2.629 8.171 ( -0.080 2.626 0.096) 2.629 8.322 ( 0.755 -5.283 2.395) 5.850 8.322 ( 0.755 5.283 2.395) 5.850 9.149 ( -4.114 -5.549 -1.240) 7.018 9.149 ( -4.114 5.549 -1.240) 7.018 9.294 ( -4.232 -6.121 1.966) 7.697 9.294 ( -4.232 6.121 1.966) 7.697 12.602 ( 0.296 -3.118 0.034) 3.132 12.602 ( 0.296 3.118 0.034) 3.132 12.748 ( 2.152 -2.998 0.240) 3.698 12.748 ( 2.152 2.998 0.240) 3.698 13.080 ( -0.536 -0.777 -1.218) 1.541 13.080 ( -0.536 0.777 -1.218) 1.541 13.226 ( -0.128 -1.614 0.263) 1.640 13.226 ( -0.128 1.614 0.263) 1.640 14.861 ( -2.704 -4.771 -3.012) 6.257 14.861 ( -2.704 4.771 -3.012) 6.257 14.980 ( 2.965 -3.071 3.380) 5.445 14.980 ( 2.965 3.071 3.380) 5.445 15.171 ( 2.170 -0.449 0.120) 2.220 15.171 ( 2.170 0.449 0.120) 2.220 15.218 ( 0.383 -0.458 -0.372) 0.704 15.218 ( 0.383 0.458 -0.372) 0.704 17.922 ( -1.270 -0.727 0.285) 1.491 17.922 ( -1.270 0.727 0.285) 1.491 18.008 ( -2.197 -1.381 -0.642) 2.673 18.008 ( -2.197 1.381 -0.642) 2.673 18.500 ( -1.643 -0.946 0.111) 1.899 18.500 ( -1.643 0.946 0.111) 1.899 18.526 ( -1.623 -1.463 0.070) 2.186 18.526 ( -1.623 1.463 0.070) 2.186 20.777 ( -0.065 -2.951 -0.175) 2.957 20.777 ( -0.065 2.951 -0.175) 2.957 20.838 ( 0.269 -2.961 0.378) 2.997 20.838 ( 0.269 2.961 0.378) 2.997 21.162 ( -0.245 -0.116 -0.282) 0.391 21.162 ( -0.245 0.116 -0.282) 0.391 21.228 ( 0.098 -0.842 0.320) 0.907 21.228 ( 0.098 0.842 0.320) 0.907 22.214 ( -0.514 -2.526 0.479) 2.622 22.214 ( -0.514 2.526 0.479) 2.622 22.388 ( -0.602 -0.547 -0.445) 0.927 22.388 ( -0.602 0.547 -0.445) 0.927 24.047 ( -0.204 -0.209 0.272) 0.399 24.047 ( -0.204 0.209 0.272) 0.399 24.169 ( 0.510 -0.088 -0.333) 0.616 24.169 ( 0.510 0.088 -0.333) 0.616 27.046 ( 1.620 -2.000 -0.513) 2.624 27.046 ( 1.620 2.000 -0.513) 2.624 27.111 ( 1.053 -2.996 0.519) 3.218 27.111 ( 1.053 2.996 0.519) 3.218 27.640 ( -0.919 -0.910 -0.884) 1.567 27.640 ( -0.919 0.910 -0.884) 1.567 27.817 ( 1.552 -1.034 0.998) 2.115 27.817 ( 1.552 1.034 0.998) 2.115 33.672 ( -4.226 -4.885 -2.375) 6.882 33.672 ( -4.226 4.885 -2.375) 6.882 33.822 ( -2.160 -5.187 1.608) 5.845 33.822 ( -2.160 5.187 1.608) 5.845 33.924 ( 0.389 -1.136 0.444) 1.281 33.924 ( 0.389 1.136 0.444) 1.281 34.016 ( -1.754 -1.605 0.921) 2.549 34.016 ( -1.754 1.605 0.921) 2.549 34.741 ( -1.173 -2.128 -0.796) 2.557 34.741 ( -1.173 2.128 -0.796) 2.557 35.255 ( 4.329 -4.108 1.006) 6.052 35.255 ( 4.329 4.108 1.006) 6.052 35.796 ( 4.530 -1.445 -1.276) 4.923 35.796 ( 4.530 1.445 -1.276) 4.923 36.179 ( 2.999 -1.495 0.912) 3.472 36.179 ( 2.999 1.495 0.912) 3.472 37.060 ( 2.757 -4.444 -4.436) 6.857 37.060 ( 2.757 4.444 -4.436) 6.857 37.369 ( -0.150 -2.179 -3.191) 3.867 37.369 ( -0.150 2.179 -3.191) 3.867 37.555 ( 2.394 -2.768 8.274) 9.047 37.555 ( 2.394 2.768 8.274) 9.047 38.295 ( -8.690 -21.356 -3.315) 23.294 38.295 ( -8.690 21.356 -3.315) 23.294 ======================= Grid point 35 (20/76) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 3.031 -5.307 1.089) 6.208 1.661 ( 3.031 5.307 1.089) 6.208 2.007 ( -0.114 -9.402 -3.018) 9.875 2.007 ( -0.114 9.402 -3.018) 9.875 2.216 ( 1.239 -4.365 4.236) 6.208 2.216 ( 1.239 4.365 4.236) 6.208 2.601 ( 3.312 -6.769 -0.645) 7.563 2.601 ( 3.312 6.769 -0.645) 7.563 3.003 ( -0.997 -4.060 -1.626) 4.486 3.003 ( -0.997 4.060 -1.626) 4.486 3.117 ( 1.084 -1.852 4.803) 5.261 3.117 ( 1.084 1.852 4.803) 5.261 3.285 ( 1.349 -1.822 -3.725) 4.361 3.285 ( 1.349 1.822 -3.725) 4.361 3.450 ( -1.641 -3.468 -2.839) 4.773 3.450 ( -1.641 3.468 -2.839) 4.773 3.619 ( -1.914 -1.649 1.857) 3.135 3.619 ( -1.914 1.649 1.857) 3.135 3.693 ( 2.959 -4.793 -0.288) 5.640 3.693 ( 2.959 4.793 -0.288) 5.640 3.974 ( -1.172 -6.130 -0.848) 6.298 3.974 ( -1.172 6.130 -0.848) 6.298 4.146 ( -0.993 -5.277 4.101) 6.757 4.146 ( -0.993 5.277 4.101) 6.757 4.371 ( 3.077 -7.735 -4.425) 9.428 4.371 ( 3.077 7.735 -4.425) 9.428 4.509 ( -3.561 -5.516 0.217) 6.569 4.509 ( -3.561 5.516 0.217) 6.569 4.730 ( 0.504 -5.867 -0.363) 5.900 4.730 ( 0.504 5.867 -0.363) 5.900 4.837 ( 0.835 -1.199 -0.014) 1.461 4.837 ( 0.835 1.199 -0.014) 1.461 5.126 ( 5.901 -11.110 4.474) 13.352 5.126 ( 5.901 11.110 4.474) 13.352 5.345 ( -0.275 -14.189 -2.414) 14.396 5.345 ( -0.275 14.189 -2.414) 14.396 5.757 ( -1.982 -2.137 -0.591) 2.974 5.757 ( -1.982 2.137 -0.591) 2.974 5.853 ( -1.283 -4.229 -0.787) 4.489 5.853 ( -1.283 4.229 -0.787) 4.489 6.171 ( -0.226 -0.110 1.523) 1.543 6.171 ( -0.226 0.110 1.523) 1.543 6.392 ( 3.695 -2.658 1.459) 4.780 6.392 ( 3.695 2.658 1.459) 4.780 6.589 ( -0.556 -5.508 0.107) 5.537 6.589 ( -0.556 5.508 0.107) 5.537 6.776 ( 0.560 -1.190 -0.658) 1.471 6.776 ( 0.560 1.190 -0.658) 1.471 6.848 ( -0.999 -4.408 3.504) 5.719 6.848 ( -0.999 4.408 3.504) 5.719 6.926 ( 0.841 -3.815 -3.459) 5.218 6.926 ( 0.841 3.815 -3.459) 5.218 7.120 ( -2.248 -1.729 -2.495) 3.777 7.120 ( -2.248 1.729 -2.495) 3.777 7.380 ( -1.705 -0.655 -1.900) 2.635 7.380 ( -1.705 0.655 -1.900) 2.635 7.661 ( -1.541 -1.519 1.166) 2.458 7.661 ( -1.541 1.519 1.166) 2.458 7.783 ( -1.653 -3.825 -1.380) 4.390 7.783 ( -1.653 3.825 -1.380) 4.390 7.919 ( 1.667 -10.513 2.116) 10.853 7.919 ( 1.667 10.513 2.116) 10.853 8.017 ( 0.423 -7.921 0.713) 7.965 8.017 ( 0.423 7.921 0.713) 7.965 8.180 ( 0.164 -4.516 0.567) 4.555 8.180 ( 0.164 4.516 0.567) 4.555 8.336 ( -0.427 -3.520 0.688) 3.612 8.336 ( -0.427 3.520 0.688) 3.612 9.091 ( -1.522 -2.257 -0.751) 2.824 9.091 ( -1.522 2.258 -0.751) 2.824 9.253 ( -1.852 -8.132 0.816) 8.380 9.253 ( -1.852 8.132 0.816) 8.380 12.604 ( 0.113 -1.129 -0.067) 1.137 12.604 ( 0.113 1.129 -0.067) 1.137 12.768 ( 0.282 -0.918 -0.130) 0.969 12.768 ( 0.282 0.918 -0.130) 0.969 13.083 ( 0.783 -0.188 0.193) 0.828 13.083 ( 0.783 0.188 0.193) 0.828 13.216 ( -0.541 -1.401 -0.367) 1.546 13.216 ( -0.541 1.401 -0.367) 1.546 14.802 ( -1.230 -5.997 -1.469) 6.295 14.802 ( -1.230 5.997 -1.469) 6.295 15.042 ( 1.210 -1.087 1.371) 2.128 15.042 ( 1.210 1.087 1.371) 2.128 15.202 ( 0.987 -1.929 0.258) 2.182 15.202 ( 0.987 1.929 0.258) 2.182 15.219 ( 0.166 -0.479 -0.244) 0.563 15.219 ( 0.166 0.479 -0.244) 0.563 17.912 ( -0.339 -0.879 0.368) 1.011 17.912 ( -0.339 0.879 0.368) 1.011 17.972 ( -1.067 -1.995 -0.547) 2.328 17.972 ( -1.067 1.995 -0.547) 2.328 18.481 ( -0.614 -0.569 0.038) 0.838 18.481 ( -0.614 0.569 0.038) 0.838 18.506 ( -0.688 -0.801 0.052) 1.057 18.506 ( -0.688 0.801 0.052) 1.057 20.775 ( -0.021 -2.994 -0.069) 2.995 20.775 ( -0.021 2.994 -0.069) 2.995 20.844 ( 0.105 -3.033 0.151) 3.038 20.844 ( 0.105 3.033 0.151) 3.038 21.156 ( -0.157 -0.069 -0.170) 0.242 21.156 ( -0.157 0.069 -0.170) 0.242 21.233 ( 0.112 -0.878 0.202) 0.908 21.233 ( 0.112 0.878 0.202) 0.908 22.211 ( -0.207 -2.389 0.182) 2.405 22.211 ( -0.207 2.389 0.182) 2.405 22.377 ( -0.272 -0.673 -0.209) 0.755 22.377 ( -0.272 0.673 -0.209) 0.755 24.046 ( -0.072 -0.465 0.114) 0.484 24.046 ( -0.072 0.465 0.114) 0.484 24.172 ( 0.174 -0.330 -0.141) 0.399 24.172 ( 0.174 0.330 -0.141) 0.399 27.052 ( 0.186 -0.587 -0.557) 0.830 27.052 ( 0.186 0.587 -0.557) 0.830 27.137 ( 0.833 -4.028 0.564) 4.151 27.137 ( 0.833 4.028 0.564) 4.151 27.620 ( -0.442 -0.730 -0.548) 1.014 27.620 ( -0.442 0.730 -0.548) 1.014 27.846 ( 0.672 -1.648 0.656) 1.897 27.846 ( 0.672 1.648 0.656) 1.897 33.607 ( -1.565 -6.367 -0.974) 6.629 33.607 ( -1.565 6.367 -0.974) 6.629 33.801 ( -0.931 -6.582 0.384) 6.659 33.801 ( -0.931 6.582 0.384) 6.659 33.938 ( 0.493 -2.174 0.304) 2.250 33.938 ( 0.493 2.174 0.304) 2.250 34.000 ( -0.853 -1.188 0.504) 1.547 34.000 ( -0.853 1.188 0.504) 1.547 34.726 ( -0.230 -2.931 -0.273) 2.953 34.726 ( -0.230 2.931 -0.273) 2.953 35.322 ( 1.954 -7.180 0.794) 7.483 35.322 ( 1.954 7.180 0.794) 7.483 35.836 ( 1.505 -2.244 -0.848) 2.832 35.836 ( 1.505 2.244 -0.848) 2.832 36.221 ( 1.110 -0.941 0.435) 1.519 36.221 ( 1.110 0.941 0.435) 1.519 37.040 ( -0.081 -4.934 -2.849) 5.699 37.040 ( -0.081 4.934 -2.849) 5.699 37.352 ( -0.001 -7.424 -0.431) 7.436 37.352 ( -0.001 7.424 -0.431) 7.436 37.660 ( 1.755 -4.880 4.540) 6.893 37.660 ( 1.755 4.880 4.540) 6.893 38.163 ( -3.238 -25.996 -2.426) 26.309 38.163 ( -3.238 25.996 -2.426) 26.309 ======================= Grid point 63 (21/76) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 3.272 0.000 24.442) 24.660 0.612 ( -4.277 0.000 27.560) 27.890 1.078 ( 24.217 0.000 46.897) 52.780 1.282 ( 0.139 0.000 -7.427) 7.429 1.522 ( -0.639 0.000 -12.059) 12.076 2.272 ( -8.963 0.000 -9.517) 13.073 2.456 ( -2.694 0.000 7.571) 8.036 2.683 ( -3.345 0.000 -3.408) 4.776 2.761 ( -1.852 0.000 -0.770) 2.006 2.889 ( -0.140 0.000 0.900) 0.911 2.965 ( -2.848 0.000 2.226) 3.614 3.064 ( 3.960 0.000 -7.256) 8.266 3.170 ( 2.224 0.000 -4.070) 4.638 3.339 ( 2.038 0.000 1.024) 2.281 3.403 ( -0.353 0.000 3.931) 3.947 3.404 ( -2.068 0.000 -6.228) 6.562 3.454 ( 0.063 0.000 1.175) 1.177 3.600 ( 2.233 0.000 -6.992) 7.340 3.600 ( -1.940 0.000 1.213) 2.288 3.672 ( 4.784 0.000 6.204) 7.835 3.786 ( 2.043 0.000 -15.134) 15.271 3.790 ( -2.817 0.000 1.100) 3.024 3.819 ( -6.697 0.000 13.113) 14.725 4.025 ( 0.091 0.000 7.492) 7.493 4.047 ( -0.576 0.000 -6.087) 6.114 4.062 ( -1.738 0.000 -6.817) 7.035 4.275 ( 1.136 0.000 0.986) 1.504 4.303 ( 1.396 0.000 -6.393) 6.544 4.489 ( 0.747 0.000 6.472) 6.515 4.657 ( -0.235 0.000 -3.069) 3.078 4.664 ( -2.923 0.000 -9.367) 9.812 4.921 ( 2.529 0.000 -4.038) 4.765 5.071 ( -0.931 0.000 9.279) 9.325 5.208 ( 1.360 0.000 12.856) 12.928 5.306 ( -13.415 0.000 -4.992) 14.314 5.643 ( 0.425 0.000 3.027) 3.057 5.686 ( 5.864 0.000 -2.982) 6.578 5.744 ( -2.136 0.000 1.985) 2.916 5.963 ( 2.150 0.000 -4.333) 4.838 5.964 ( 0.712 0.000 -4.810) 4.863 6.172 ( -10.004 0.000 3.186) 10.499 6.252 ( 7.955 0.000 -1.571) 8.109 6.412 ( 0.981 0.000 2.221) 2.428 6.471 ( -0.540 0.000 0.121) 0.553 6.555 ( -1.396 0.000 2.521) 2.882 6.575 ( -6.587 0.000 1.874) 6.848 6.585 ( -2.274 0.000 -0.011) 2.274 6.649 ( -14.437 0.000 2.561) 14.662 6.652 ( -3.059 0.000 2.050) 3.683 6.669 ( 0.623 0.000 1.447) 1.576 6.800 ( -0.892 0.000 -2.492) 2.647 6.835 ( 1.603 0.000 -4.039) 4.346 7.110 ( -2.919 0.000 1.644) 3.350 7.241 ( 0.374 0.000 -3.231) 3.253 7.413 ( 0.040 0.000 -1.350) 1.351 7.434 ( 5.080 0.000 -2.710) 5.758 7.538 ( -1.085 0.000 0.926) 1.426 7.586 ( 0.369 0.000 -0.602) 0.707 7.652 ( 7.867 0.000 0.965) 7.926 7.674 ( 2.128 0.000 -2.019) 2.933 7.873 ( 0.911 0.000 2.467) 2.630 7.932 ( -5.787 0.000 -0.599) 5.818 8.004 ( -1.041 0.000 4.229) 4.355 8.083 ( 0.607 0.000 0.157) 0.627 8.210 ( 2.282 0.000 -1.514) 2.738 8.231 ( -1.541 0.000 -3.423) 3.754 8.978 ( -0.337 0.000 3.615) 3.631 9.187 ( -3.415 0.000 -5.068) 6.111 9.370 ( -5.002 0.000 3.370) 6.031 9.471 ( 1.318 0.000 -1.473) 1.976 10.030 ( 7.457 0.000 6.191) 9.692 10.295 ( -12.045 0.000 -3.954) 12.677 12.510 ( 0.496 0.000 1.173) 1.273 12.584 ( -0.356 0.000 -1.716) 1.753 12.751 ( -0.053 0.000 1.308) 1.309 12.800 ( 0.100 0.000 -0.685) 0.692 13.129 ( 1.176 0.000 1.122) 1.625 13.208 ( -1.895 0.000 -1.910) 2.690 13.444 ( 7.234 0.000 1.007) 7.304 13.479 ( -2.258 0.000 -0.422) 2.297 14.445 ( -0.971 0.000 -0.290) 1.014 14.445 ( 0.335 0.000 -0.250) 0.418 14.487 ( -0.072 0.000 0.373) 0.380 14.495 ( 0.836 0.000 0.131) 0.846 14.917 ( -0.052 0.000 -0.048) 0.071 14.938 ( -1.189 0.000 -0.696) 1.378 15.056 ( 2.952 0.000 1.381) 3.259 15.105 ( -1.906 0.000 -0.568) 1.989 18.291 ( 0.112 0.000 0.110) 0.157 18.294 ( 0.038 0.000 -0.035) 0.052 18.452 ( 0.015 0.000 0.166) 0.167 18.467 ( 0.147 0.000 0.057) 0.157 18.666 ( -0.859 0.000 0.055) 0.861 18.686 ( -1.288 0.000 -1.639) 2.085 18.827 ( 1.006 0.000 0.640) 1.192 18.839 ( 0.451 0.000 0.740) 0.866 20.642 ( -0.152 0.000 0.480) 0.503 20.660 ( 0.197 0.000 -0.157) 0.252 20.891 ( -0.112 0.000 0.161) 0.196 20.909 ( 0.019 0.000 -0.463) 0.463 21.144 ( 0.125 0.000 0.730) 0.740 21.178 ( 0.090 0.000 -0.490) 0.498 21.244 ( 0.621 0.000 0.092) 0.628 21.255 ( -2.348 0.000 -0.338) 2.372 22.413 ( 0.510 0.000 0.025) 0.510 22.416 ( -0.931 0.000 -0.065) 0.933 22.471 ( 4.911 0.000 0.166) 4.914 22.479 ( -21.492 0.000 -0.116) 21.492 24.076 ( 1.198 0.000 0.452) 1.281 24.092 ( -3.662 0.000 -0.088) 3.663 24.111 ( -0.074 0.000 -0.113) 0.135 24.113 ( 0.496 0.000 -0.297) 0.579 27.147 ( -0.040 0.000 1.020) 1.021 27.197 ( 0.568 0.000 -0.605) 0.830 27.234 ( 20.304 0.000 0.198) 20.305 27.248 ( -4.663 0.000 -0.562) 4.696 27.336 ( 0.400 0.000 0.592) 0.714 27.378 ( 4.362 0.000 -0.987) 4.472 27.395 ( -0.124 0.000 0.668) 0.680 27.421 ( 1.077 0.000 -0.239) 1.103 33.753 ( 2.093 0.000 1.142) 2.385 33.814 ( -3.031 0.000 -1.094) 3.222 33.884 ( 2.449 0.000 0.649) 2.534 33.886 ( 0.336 0.000 0.143) 0.366 33.912 ( -0.842 0.000 -0.395) 0.930 33.914 ( 0.163 0.000 -1.009) 1.022 34.306 ( 24.935 0.000 1.373) 24.973 34.406 ( -10.124 0.000 -1.870) 10.295 34.544 ( 0.776 0.000 -1.530) 1.716 34.578 ( 0.684 0.000 -1.541) 1.686 34.734 ( 4.604 0.000 4.482) 6.426 34.823 ( 1.022 0.000 0.468) 1.124 35.627 ( -1.216 0.000 -0.189) 1.231 35.662 ( 0.542 0.000 -1.488) 1.583 36.023 ( 0.559 0.000 0.509) 0.756 36.041 ( -4.413 0.000 -0.343) 4.427 36.840 ( -2.811 0.000 4.677) 5.457 36.854 ( -0.385 0.000 0.455) 0.596 36.888 ( 0.012 0.000 0.868) 0.868 37.265 ( 14.207 0.000 -11.891) 18.527 37.660 ( 11.609 0.000 1.728) 11.737 37.717 ( -6.355 0.000 2.724) 6.914 37.807 ( -29.210 0.000 6.140) 29.848 38.102 ( 105.138 0.000 -4.179) 105.221 ======================= Grid point 64 (22/76) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 9.156 0.000 25.071) 26.691 0.940 ( 16.895 0.000 16.185) 23.396 1.281 ( 9.885 0.000 -11.541) 15.196 1.481 ( 8.612 0.000 -16.816) 18.894 1.996 ( -3.732 0.000 -15.618) 16.058 2.047 ( 38.402 0.000 28.823) 48.016 2.538 ( 3.609 0.000 16.836) 17.219 2.623 ( -0.948 0.000 -2.030) 2.241 2.744 ( -0.218 0.000 1.509) 1.525 2.881 ( -1.433 0.000 1.829) 2.324 2.943 ( -1.217 0.000 1.043) 1.603 3.062 ( 2.371 0.000 -5.985) 6.437 3.161 ( 1.978 0.000 -6.620) 6.909 3.330 ( 7.041 0.000 -15.785) 17.284 3.386 ( 0.437 0.000 1.264) 1.338 3.429 ( -1.369 0.000 2.035) 2.453 3.442 ( -2.114 0.000 0.616) 2.202 3.560 ( -4.186 0.000 2.393) 4.822 3.589 ( 1.682 0.000 -3.772) 4.130 3.703 ( -6.818 0.000 0.189) 6.820 3.715 ( 0.084 0.000 -9.018) 9.019 3.799 ( 1.156 0.000 6.705) 6.804 3.830 ( -5.519 0.000 10.014) 11.434 3.940 ( -2.324 0.000 -1.562) 2.800 4.020 ( 1.270 0.000 -0.255) 1.296 4.047 ( -5.547 0.000 0.946) 5.627 4.289 ( 1.421 0.000 -4.592) 4.807 4.325 ( 6.224 0.000 -2.241) 6.615 4.560 ( -1.253 0.000 -3.570) 3.784 4.579 ( -1.561 0.000 -1.998) 2.536 4.597 ( 0.139 0.000 6.834) 6.836 4.823 ( -8.256 0.000 -9.137) 12.314 5.088 ( -6.026 0.000 2.142) 6.395 5.184 ( 0.982 0.000 14.387) 14.421 5.318 ( 1.454 0.000 4.842) 5.056 5.677 ( 0.699 0.000 3.203) 3.279 5.740 ( 0.229 0.000 2.165) 2.177 5.803 ( 10.504 0.000 -4.464) 11.413 5.945 ( -1.083 0.000 -4.556) 4.683 5.955 ( 1.183 0.000 -5.361) 5.490 5.982 ( -7.641 0.000 1.889) 7.871 6.391 ( 7.323 0.000 1.441) 7.463 6.408 ( -7.269 0.000 5.702) 9.239 6.438 ( -0.462 0.000 1.134) 1.224 6.499 ( 0.157 0.000 2.722) 2.726 6.543 ( -2.894 0.000 0.267) 2.906 6.613 ( -0.327 0.000 3.714) 3.728 6.617 ( -2.461 0.000 1.659) 2.968 6.651 ( 2.602 0.000 4.448) 5.153 6.667 ( -2.030 0.000 0.346) 2.059 6.755 ( -0.957 0.000 -2.311) 2.501 6.860 ( 4.974 0.000 -3.114) 5.868 7.149 ( 2.670 0.000 -0.101) 2.671 7.232 ( 0.397 0.000 -1.264) 1.324 7.376 ( -1.191 0.000 -2.029) 2.352 7.423 ( -1.447 0.000 -4.751) 4.966 7.512 ( -6.850 0.000 -0.335) 6.858 7.539 ( -0.697 0.000 1.826) 1.954 7.673 ( -4.177 0.000 -6.321) 7.577 7.674 ( 0.161 0.000 -1.944) 1.951 7.857 ( -0.535 0.000 1.594) 1.681 7.923 ( 0.081 0.000 4.561) 4.561 8.002 ( -2.800 0.000 4.069) 4.940 8.074 ( -1.651 0.000 -0.096) 1.654 8.206 ( 0.968 0.000 -5.189) 5.279 8.239 ( 2.158 0.000 0.105) 2.160 9.033 ( 3.118 0.000 7.732) 8.337 9.113 ( -4.661 0.000 -5.543) 7.242 9.318 ( -3.990 0.000 3.548) 5.339 9.462 ( -1.593 0.000 -1.115) 1.944 9.991 ( -16.138 0.000 -2.987) 16.412 10.167 ( -0.040 0.000 7.130) 7.130 12.544 ( 2.099 0.000 1.634) 2.660 12.574 ( 1.029 0.000 -2.025) 2.272 12.769 ( 0.769 0.000 1.421) 1.615 12.801 ( 0.555 0.000 -0.953) 1.103 13.151 ( -2.174 0.000 -1.832) 2.842 13.166 ( 1.192 0.000 1.877) 2.223 13.429 ( -1.971 0.000 -1.958) 2.779 13.537 ( 3.518 0.000 0.175) 3.522 14.420 ( -1.454 0.000 0.176) 1.465 14.444 ( -0.654 0.000 -0.023) 0.655 14.486 ( -0.177 0.000 0.099) 0.203 14.505 ( 0.147 0.000 -0.421) 0.446 14.946 ( 2.647 0.000 -0.273) 2.661 14.964 ( 4.144 0.000 1.242) 4.326 15.064 ( -1.222 0.000 -1.670) 2.070 15.149 ( 6.008 0.000 0.836) 6.066 18.288 ( -0.533 0.000 0.034) 0.534 18.289 ( -0.492 0.000 -0.138) 0.511 18.452 ( -1.537 0.000 -0.603) 1.651 18.455 ( -0.280 0.000 0.736) 0.787 18.646 ( -1.299 0.000 0.189) 1.313 18.669 ( -0.057 0.000 0.429) 0.433 18.819 ( -2.665 0.000 -0.854) 2.799 18.839 ( -0.748 0.000 0.529) 0.916 20.645 ( -0.077 0.000 0.441) 0.447 20.663 ( 0.282 0.000 -0.216) 0.356 20.893 ( 0.095 0.000 0.299) 0.314 20.906 ( 0.138 0.000 -0.475) 0.495 21.157 ( 0.514 0.000 0.920) 1.054 21.178 ( 0.398 0.000 -0.883) 0.969 21.217 ( -2.051 0.000 0.245) 2.065 21.257 ( 0.483 0.000 0.615) 0.782 22.253 ( -9.009 0.000 5.023) 10.315 22.384 ( -2.096 0.000 0.614) 2.184 22.425 ( 0.475 0.000 0.623) 0.783 22.569 ( 3.233 0.000 2.065) 3.836 24.054 ( -1.237 0.000 -0.229) 1.258 24.086 ( -0.469 0.000 0.876) 0.994 24.125 ( 0.976 0.000 -0.053) 0.977 24.133 ( 1.929 0.000 0.066) 1.930 27.109 ( -6.272 0.000 -2.626) 6.800 27.149 ( -0.851 0.000 0.855) 1.206 27.208 ( 0.166 0.000 -2.415) 2.420 27.309 ( 0.042 0.000 -0.300) 0.303 27.360 ( 1.418 0.000 0.584) 1.534 27.401 ( 0.264 0.000 0.647) 0.699 27.404 ( 0.295 0.000 -1.273) 1.307 27.481 ( 3.142 0.000 -4.223) 5.263 33.716 ( -6.325 0.000 -1.247) 6.447 33.768 ( -3.355 0.000 1.585) 3.710 33.864 ( -0.677 0.000 -0.285) 0.734 33.896 ( -0.190 0.000 -0.038) 0.194 33.902 ( -0.071 0.000 -0.202) 0.214 33.924 ( 0.655 0.000 -0.604) 0.891 34.194 ( -8.842 0.000 -5.348) 10.334 34.492 ( 2.797 0.000 2.227) 3.575 34.569 ( 1.655 0.000 0.302) 1.683 34.615 ( 5.379 0.000 -2.954) 6.136 34.826 ( -0.534 0.000 -3.409) 3.450 34.837 ( 3.918 0.000 1.466) 4.184 35.711 ( 9.925 0.000 -1.729) 10.075 35.727 ( 7.967 0.000 -0.128) 7.968 36.046 ( 2.360 0.000 -0.138) 2.364 36.102 ( 7.665 0.000 2.085) 7.944 36.819 ( -3.634 0.000 3.257) 4.880 36.841 ( -1.424 0.000 0.199) 1.437 36.889 ( -0.722 0.000 0.852) 1.117 37.247 ( -22.963 0.000 -2.612) 23.111 37.370 ( 7.100 0.000 -14.714) 16.338 37.677 ( -2.445 0.000 0.360) 2.471 37.698 ( -2.790 0.000 -1.699) 3.266 39.251 ( 46.118 0.000 -32.908) 56.655 ======================= Grid point 65 (23/76) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 13.749 0.000 21.002) 25.103 1.336 ( 16.192 0.000 8.686) 18.375 1.414 ( 17.196 0.000 -10.705) 20.255 1.427 ( 7.994 0.000 -21.910) 23.322 2.085 ( 21.298 0.000 -1.670) 21.364 2.473 ( 6.825 0.000 2.659) 7.325 2.594 ( -1.468 0.000 -0.885) 1.715 2.737 ( 0.307 0.000 0.484) 0.573 2.886 ( -2.869 0.000 4.690) 5.498 2.945 ( 3.471 0.000 -2.682) 4.387 2.987 ( 2.851 0.000 1.313) 3.139 3.114 ( -0.828 0.000 -6.132) 6.188 3.197 ( 20.902 0.000 19.397) 28.516 3.309 ( -7.571 0.000 -1.692) 7.758 3.323 ( 7.614 0.000 -15.968) 17.690 3.399 ( 1.853 0.000 -2.580) 3.176 3.467 ( -0.630 0.000 3.609) 3.664 3.518 ( -2.490 0.000 1.367) 2.840 3.566 ( -1.564 0.000 -6.127) 6.323 3.616 ( -1.677 0.000 -4.546) 4.846 3.629 ( 0.924 0.000 4.990) 5.075 3.800 ( -3.622 0.000 3.245) 4.863 3.817 ( -5.234 0.000 9.527) 10.870 3.897 ( -4.393 0.000 -0.861) 4.477 4.026 ( -1.564 0.000 -2.708) 3.127 4.046 ( 3.640 0.000 4.856) 6.069 4.217 ( -1.666 0.000 -8.034) 8.205 4.375 ( -0.281 0.000 -5.780) 5.787 4.488 ( -2.377 0.000 4.358) 4.964 4.551 ( -1.287 0.000 -6.077) 6.212 4.662 ( -1.489 0.000 6.032) 6.213 4.722 ( 0.938 0.000 9.282) 9.330 5.036 ( -1.228 0.000 -2.857) 3.110 5.310 ( 0.587 0.000 10.197) 10.214 5.342 ( -1.240 0.000 1.524) 1.965 5.731 ( 1.925 0.000 3.059) 3.614 5.786 ( 2.098 0.000 1.167) 2.401 5.832 ( -2.979 0.000 -2.015) 3.596 5.912 ( -0.466 0.000 -3.705) 3.734 5.920 ( 5.954 0.000 -3.374) 6.844 6.002 ( 5.773 0.000 -2.728) 6.385 6.346 ( -7.766 0.000 -4.720) 9.088 6.349 ( -5.894 0.000 5.442) 8.022 6.482 ( 0.872 0.000 1.665) 1.879 6.504 ( -0.899 0.000 -0.929) 1.293 6.543 ( 3.685 0.000 -1.715) 4.064 6.611 ( -2.190 0.000 2.804) 3.558 6.615 ( 0.459 0.000 1.804) 1.862 6.634 ( -1.051 0.000 0.011) 1.051 6.746 ( 3.498 0.000 -1.076) 3.660 6.766 ( 2.423 0.000 6.039) 6.506 6.918 ( 4.496 0.000 -3.122) 5.474 7.149 ( -1.208 0.000 -4.802) 4.951 7.211 ( -1.936 0.000 -0.057) 1.937 7.311 ( -5.206 0.000 -4.328) 6.770 7.352 ( -1.671 0.000 -0.451) 1.731 7.400 ( -4.779 0.000 0.657) 4.824 7.528 ( -4.057 0.000 -4.546) 6.093 7.559 ( 0.113 0.000 2.398) 2.401 7.682 ( 1.771 0.000 0.417) 1.819 7.874 ( -0.309 0.000 0.243) 0.393 7.884 ( -7.732 0.000 2.255) 8.054 8.029 ( -3.291 0.000 -0.315) 3.306 8.042 ( 0.779 0.000 5.220) 5.278 8.139 ( -1.590 0.000 -4.825) 5.080 8.298 ( 3.220 0.000 3.366) 4.658 8.892 ( -14.840 0.000 -4.256) 15.438 9.217 ( 6.490 0.000 10.985) 12.759 9.313 ( -0.535 0.000 3.145) 3.190 9.383 ( -5.960 0.000 -2.591) 6.499 9.746 ( -9.707 0.000 -2.760) 10.091 10.149 ( -5.564 0.000 2.273) 6.011 12.585 ( 2.417 0.000 -1.771) 2.997 12.605 ( 3.208 0.000 1.779) 3.668 12.794 ( 0.552 0.000 1.179) 1.302 12.796 ( -0.057 0.000 -1.440) 1.441 13.117 ( -0.456 0.000 -0.552) 0.716 13.185 ( -0.759 0.000 0.934) 1.203 13.395 ( 0.021 0.000 -1.303) 1.303 13.574 ( 1.104 0.000 -0.446) 1.191 14.405 ( -0.839 0.000 0.905) 1.234 14.415 ( -2.287 0.000 -0.481) 2.337 14.491 ( 0.556 0.000 0.376) 0.671 14.494 ( -0.517 0.000 -0.820) 0.970 14.950 ( -1.703 0.000 -2.883) 3.348 15.048 ( 3.938 0.000 0.848) 4.028 15.107 ( 6.891 0.000 1.860) 7.137 15.243 ( 5.010 0.000 -1.262) 5.167 18.278 ( -0.489 0.000 -0.210) 0.533 18.279 ( -0.399 0.000 0.165) 0.431 18.415 ( -2.329 0.000 -0.179) 2.336 18.437 ( -2.054 0.000 -0.340) 2.082 18.648 ( 0.064 0.000 2.877) 2.877 18.667 ( -1.340 0.000 0.026) 1.341 18.749 ( -3.797 0.000 -0.929) 3.909 18.800 ( -3.257 0.000 -1.420) 3.553 20.647 ( -0.057 0.000 0.338) 0.343 20.666 ( 0.306 0.000 -0.338) 0.456 20.899 ( 0.168 0.000 0.364) 0.401 20.906 ( 0.246 0.000 -0.354) 0.431 21.171 ( -0.078 0.000 -1.547) 1.549 21.177 ( 0.891 0.000 0.833) 1.220 21.191 ( -1.462 0.000 0.951) 1.744 21.268 ( 0.119 0.000 0.736) 0.745 22.191 ( -3.604 0.000 3.236) 4.844 22.363 ( -1.322 0.000 1.425) 1.944 22.439 ( 0.205 0.000 1.108) 1.127 22.566 ( -4.083 0.000 -1.784) 4.456 24.038 ( -0.447 0.000 -0.355) 0.571 24.084 ( -0.520 0.000 0.765) 0.925 24.143 ( 1.009 0.000 0.158) 1.022 24.148 ( 0.107 0.000 -0.852) 0.859 27.049 ( 1.740 0.000 -0.366) 1.778 27.133 ( -1.437 0.000 0.101) 1.440 27.185 ( -0.139 0.000 -2.297) 2.301 27.310 ( 0.269 0.000 0.410) 0.490 27.373 ( -0.072 0.000 -0.260) 0.270 27.396 ( 0.031 0.000 -1.142) 1.143 27.431 ( 2.173 0.000 1.251) 2.507 27.469 ( -0.009 0.000 -2.569) 2.569 33.600 ( -6.056 0.000 -0.272) 6.062 33.670 ( -7.242 0.000 -0.169) 7.244 33.869 ( 0.175 0.000 -0.043) 0.180 33.892 ( -0.273 0.000 -1.623) 1.646 33.910 ( -0.992 0.000 -0.625) 1.172 33.913 ( 1.419 0.000 1.737) 2.243 34.066 ( -1.974 0.000 -1.955) 2.778 34.511 ( -0.037 0.000 -1.409) 1.409 34.605 ( 1.795 0.000 1.063) 2.087 34.690 ( 0.253 0.000 0.418) 0.489 34.818 ( 6.395 0.000 -1.416) 6.550 34.889 ( 2.288 0.000 -0.985) 2.490 35.824 ( 5.764 0.000 -5.686) 8.097 35.899 ( 11.391 0.000 0.196) 11.393 36.136 ( 6.630 0.000 3.422) 7.461 36.293 ( 7.755 0.000 4.418) 8.926 36.783 ( -2.888 0.000 1.634) 3.318 36.828 ( 0.222 0.000 1.672) 1.686 36.882 ( -0.579 0.000 0.206) 0.615 37.010 ( -0.724 0.000 4.188) 4.250 37.353 ( 6.325 0.000 -18.679) 19.721 37.618 ( -4.598 0.000 0.400) 4.615 37.620 ( -4.589 0.000 -1.154) 4.732 39.457 ( 13.405 0.000 -22.246) 25.972 ======================= Grid point 66 (24/76) ======================= q-point: ( 0.33 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 11.279 0.000 -6.697) 13.117 1.647 ( 18.726 0.000 -4.065) 19.162 1.661 ( 15.911 0.000 2.319) 16.079 1.673 ( 9.134 0.000 13.825) 16.570 2.456 ( 7.690 0.000 4.157) 8.742 2.582 ( 5.190 0.000 0.298) 5.199 2.601 ( 6.845 0.000 5.390) 8.712 2.708 ( -2.764 0.000 -2.729) 3.884 2.816 ( -0.348 0.000 -7.739) 7.747 2.946 ( -1.132 0.000 -7.346) 7.432 3.034 ( -2.953 0.000 -1.612) 3.365 3.043 ( 7.127 0.000 1.653) 7.317 3.126 ( -9.748 0.000 2.045) 9.960 3.303 ( 6.101 0.000 -15.913) 17.042 3.364 ( -2.388 0.000 -9.448) 9.745 3.396 ( -1.841 0.000 -0.491) 1.905 3.468 ( -1.884 0.000 2.347) 3.010 3.483 ( -1.067 0.000 3.715) 3.865 3.525 ( 2.984 0.000 -0.532) 3.031 3.612 ( 0.638 0.000 0.395) 0.751 3.769 ( -2.159 0.000 0.771) 2.292 3.812 ( -3.639 0.000 9.371) 10.053 3.840 ( -0.426 0.000 -0.024) 0.427 3.889 ( -2.632 0.000 -3.228) 4.164 4.013 ( 10.325 0.000 14.040) 17.428 4.140 ( -1.368 0.000 -4.063) 4.288 4.150 ( 4.791 0.000 -0.242) 4.797 4.268 ( -3.309 0.000 -4.955) 5.958 4.477 ( 1.055 0.000 -5.107) 5.214 4.538 ( -2.045 0.000 8.960) 9.191 4.748 ( -0.531 0.000 6.584) 6.605 4.754 ( -3.707 0.000 4.759) 6.033 5.046 ( 5.662 0.000 0.127) 5.663 5.311 ( -4.714 0.000 3.467) 5.852 5.379 ( -0.122 0.000 3.031) 3.034 5.725 ( -2.232 0.000 -0.754) 2.356 5.776 ( -0.169 0.000 -4.862) 4.865 5.863 ( 3.787 0.000 2.073) 4.318 5.910 ( -0.078 0.000 1.229) 1.231 5.985 ( 6.253 0.000 -6.471) 8.998 6.061 ( 2.161 0.000 0.615) 2.247 6.201 ( -3.507 0.000 -2.227) 4.154 6.296 ( -6.264 0.000 5.366) 8.248 6.473 ( 0.925 0.000 -3.697) 3.811 6.487 ( -0.367 0.000 -0.360) 0.515 6.563 ( 2.232 0.000 -3.713) 4.332 6.609 ( -1.244 0.000 3.143) 3.381 6.620 ( -0.082 0.000 -1.627) 1.629 6.691 ( 6.200 0.000 2.232) 6.589 6.796 ( 2.676 0.000 2.036) 3.363 6.852 ( 2.010 0.000 2.257) 3.022 6.958 ( 4.900 0.000 -5.181) 7.131 7.050 ( -1.061 0.000 -7.588) 7.662 7.164 ( -4.180 0.000 0.059) 4.180 7.226 ( -3.443 0.000 1.656) 3.821 7.315 ( -4.400 0.000 5.238) 6.841 7.381 ( 1.008 0.000 2.125) 2.352 7.453 ( -1.031 0.000 -2.311) 2.531 7.612 ( 3.066 0.000 2.607) 4.024 7.712 ( -7.988 0.000 0.834) 8.031 7.730 ( -2.470 0.000 0.602) 2.543 7.826 ( -3.698 0.000 -3.336) 4.980 7.961 ( -4.348 0.000 -0.415) 4.368 7.987 ( -5.209 0.000 -1.326) 5.375 8.217 ( 7.982 0.000 2.244) 8.292 8.392 ( 2.446 0.000 5.085) 5.643 8.600 ( -14.370 0.000 -2.806) 14.642 9.193 ( -11.396 0.000 -3.392) 11.891 9.339 ( 0.100 0.000 2.651) 2.653 9.383 ( 2.818 0.000 3.366) 4.390 9.608 ( -5.059 0.000 0.089) 5.060 10.065 ( -3.911 0.000 -1.622) 4.234 12.623 ( 3.267 0.000 -1.028) 3.425 12.675 ( 3.062 0.000 1.628) 3.468 12.772 ( -0.983 0.000 -1.686) 1.952 12.802 ( -0.593 0.000 0.732) 0.942 13.123 ( 0.969 0.000 0.411) 1.052 13.165 ( -1.473 0.000 -0.084) 1.475 13.405 ( 1.120 0.000 0.619) 1.280 13.570 ( -0.346 0.000 -1.331) 1.375 14.371 ( -2.060 0.000 -0.523) 2.126 14.402 ( -0.585 0.000 0.684) 0.900 14.481 ( -0.216 0.000 -0.387) 0.443 14.507 ( 0.714 0.000 0.564) 0.910 14.900 ( -0.508 0.000 -1.772) 1.843 15.099 ( 1.970 0.000 -0.523) 2.038 15.253 ( 6.484 0.000 2.347) 6.896 15.296 ( 3.219 0.000 -2.112) 3.850 18.273 ( 0.124 0.000 -0.230) 0.261 18.283 ( 0.698 0.000 0.349) 0.781 18.369 ( -2.751 0.000 -0.161) 2.755 18.392 ( -2.713 0.000 -0.356) 2.736 18.634 ( -1.186 0.000 -0.097) 1.190 18.675 ( -0.514 0.000 2.575) 2.625 18.684 ( -3.546 0.000 -0.600) 3.597 18.722 ( -3.119 0.000 -2.307) 3.879 20.648 ( -0.078 0.000 0.239) 0.252 20.667 ( 0.278 0.000 -0.445) 0.524 20.904 ( 0.078 0.000 0.348) 0.357 20.908 ( 0.275 0.000 -0.180) 0.328 21.154 ( -0.225 0.000 -1.158) 1.179 21.182 ( -0.804 0.000 1.221) 1.461 21.195 ( 0.669 0.000 0.012) 0.669 21.271 ( -0.333 0.000 0.255) 0.419 22.171 ( -1.816 0.000 2.042) 2.733 22.364 ( -0.375 0.000 1.502) 1.548 22.442 ( -4.604 0.000 -5.580) 7.234 22.449 ( -0.306 0.000 1.244) 1.282 24.032 ( -0.039 0.000 -0.142) 0.147 24.084 ( -0.241 0.000 0.519) 0.572 24.135 ( -0.068 0.000 -1.094) 1.096 24.159 ( 0.611 0.000 0.260) 0.664 27.106 ( 1.672 0.000 1.205) 2.061 27.108 ( -1.093 0.000 -0.357) 1.150 27.183 ( 1.600 0.000 0.683) 1.740 27.321 ( 0.325 0.000 0.386) 0.505 27.367 ( -0.171 0.000 -0.117) 0.207 27.389 ( 0.356 0.000 -0.703) 0.788 27.452 ( 0.025 0.000 -1.285) 1.285 27.479 ( 1.884 0.000 0.954) 2.112 33.515 ( -4.176 0.000 0.462) 4.202 33.555 ( -5.478 0.000 -0.509) 5.502 33.860 ( -1.266 0.000 -0.942) 1.578 33.868 ( -0.087 0.000 0.052) 0.101 33.914 ( 0.905 0.000 0.267) 0.944 33.951 ( 0.876 0.000 1.162) 1.455 34.059 ( -0.290 0.000 2.837) 2.851 34.494 ( 0.599 0.000 -2.576) 2.645 34.632 ( 0.660 0.000 -0.284) 0.719 34.654 ( -1.414 0.000 -1.687) 2.201 34.924 ( 2.823 0.000 0.134) 2.827 34.959 ( 6.875 0.000 1.109) 6.964 35.844 ( 2.816 0.000 -2.733) 3.924 36.089 ( 10.418 0.000 -0.198) 10.420 36.272 ( 4.532 0.000 2.881) 5.370 36.351 ( -0.741 0.000 -0.992) 1.238 36.761 ( -0.528 0.000 0.404) 0.665 36.834 ( -1.262 0.000 1.535) 1.987 36.878 ( 0.437 0.000 -0.459) 0.634 37.257 ( 1.870 0.000 -18.722) 18.815 37.334 ( 16.231 0.000 26.882) 31.402 37.535 ( -4.240 0.000 -0.478) 4.267 37.540 ( -4.683 0.000 0.334) 4.695 39.430 ( 5.358 0.000 -17.338) 18.147 ======================= Grid point 67 (25/76) ======================= q-point: ( 0.44 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 7.199 0.000 5.418) 9.010 1.810 ( -3.420 0.000 5.919) 6.836 1.904 ( 11.170 0.000 0.156) 11.171 1.914 ( 11.318 0.000 1.206) 11.382 2.439 ( -3.987 0.000 1.017) 4.114 2.559 ( -8.314 0.000 -4.477) 9.443 2.595 ( -1.872 0.000 -8.467) 8.672 2.619 ( -2.195 0.000 -4.141) 4.687 2.918 ( 5.577 0.000 -0.903) 5.650 3.014 ( 0.084 0.000 1.926) 1.928 3.016 ( 12.464 0.000 3.654) 12.988 3.035 ( -5.149 0.000 5.602) 7.608 3.129 ( -1.446 0.000 -7.536) 7.674 3.210 ( 4.240 0.000 -5.835) 7.213 3.287 ( -0.836 0.000 -4.786) 4.858 3.357 ( 0.325 0.000 -3.786) 3.800 3.509 ( 2.376 0.000 2.780) 3.657 3.510 ( -1.210 0.000 6.422) 6.535 3.569 ( 2.195 0.000 0.342) 2.221 3.621 ( -0.370 0.000 2.644) 2.670 3.756 ( 0.107 0.000 0.033) 0.112 3.772 ( -4.778 0.000 -2.747) 5.511 3.835 ( -2.482 0.000 5.436) 5.976 3.909 ( 9.544 0.000 -1.177) 9.616 4.100 ( -0.013 0.000 -1.339) 1.339 4.160 ( 0.791 0.000 -5.628) 5.683 4.196 ( 0.210 0.000 7.106) 7.109 4.247 ( 2.770 0.000 -0.811) 2.886 4.458 ( 0.586 0.000 -6.046) 6.074 4.503 ( -5.600 0.000 -2.065) 5.969 4.761 ( -4.001 0.000 14.331) 14.879 4.764 ( -1.293 0.000 3.905) 4.114 5.145 ( 0.945 0.000 1.849) 2.077 5.240 ( -5.768 0.000 0.938) 5.844 5.349 ( -3.053 0.000 -2.954) 4.249 5.690 ( -1.106 0.000 -0.134) 1.115 5.747 ( 1.225 0.000 -3.267) 3.489 5.897 ( 1.788 0.000 -10.387) 10.540 5.923 ( 1.246 0.000 2.342) 2.653 5.983 ( 0.991 0.000 0.690) 1.207 6.117 ( 0.505 0.000 0.727) 0.886 6.160 ( -0.785 0.000 -2.359) 2.486 6.241 ( -3.477 0.000 4.256) 5.496 6.481 ( 1.606 0.000 -1.448) 2.162 6.482 ( 0.780 0.000 -1.269) 1.490 6.542 ( -0.966 0.000 -3.332) 3.469 6.620 ( -0.241 0.000 3.090) 3.099 6.638 ( 2.424 0.000 1.483) 2.842 6.846 ( 9.515 0.000 -0.012) 9.515 6.870 ( 1.511 0.000 3.601) 3.905 6.926 ( 5.698 0.000 3.145) 6.508 6.983 ( -1.156 0.000 -5.408) 5.530 6.997 ( 4.456 0.000 -4.569) 6.382 7.061 ( -8.770 0.000 1.179) 8.849 7.249 ( 1.928 0.000 8.427) 8.645 7.302 ( -0.967 0.000 5.207) 5.296 7.442 ( 0.851 0.000 -0.332) 0.913 7.468 ( 2.941 0.000 4.682) 5.529 7.528 ( -8.775 0.000 4.115) 9.692 7.668 ( -1.592 0.000 -0.971) 1.865 7.744 ( 2.417 0.000 -3.256) 4.055 7.766 ( 1.192 0.000 0.875) 1.479 7.877 ( -4.239 0.000 -1.417) 4.470 7.895 ( -3.005 0.000 -2.770) 4.087 8.327 ( 1.538 0.000 -2.140) 2.635 8.366 ( -5.187 0.000 -4.304) 6.740 8.479 ( -2.053 0.000 6.789) 7.093 8.970 ( -5.879 0.000 -8.017) 9.941 9.337 ( -1.600 0.000 -0.381) 1.645 9.393 ( -1.290 0.000 -2.135) 2.494 9.594 ( 0.330 0.000 5.822) 5.832 9.994 ( -1.634 0.000 -4.133) 4.444 12.669 ( 2.509 0.000 -0.283) 2.525 12.723 ( -0.489 0.000 0.265) 0.557 12.748 ( 1.281 0.000 -0.304) 1.317 12.791 ( -1.261 0.000 0.531) 1.368 13.139 ( 0.145 0.000 0.138) 0.200 13.145 ( -0.533 0.000 -0.353) 0.639 13.432 ( 0.509 0.000 1.929) 1.995 13.553 ( 0.132 0.000 -1.575) 1.581 14.347 ( -0.389 0.000 0.027) 0.390 14.390 ( -0.900 0.000 -0.511) 1.035 14.483 ( 0.319 0.000 0.394) 0.507 14.515 ( -0.178 0.000 -0.096) 0.202 14.918 ( 1.982 0.000 2.571) 3.246 15.114 ( 0.689 0.000 -1.097) 1.296 15.323 ( 2.080 0.000 -1.773) 2.733 15.330 ( 0.766 0.000 0.201) 0.791 18.279 ( 0.899 0.000 -0.119) 0.907 18.307 ( 1.499 0.000 0.040) 1.499 18.332 ( -1.540 0.000 0.288) 1.567 18.339 ( -2.593 0.000 -0.578) 2.657 18.619 ( -1.403 0.000 -1.275) 1.896 18.643 ( 0.086 0.000 1.587) 1.589 18.663 ( -1.788 0.000 -0.122) 1.792 18.682 ( -0.137 0.000 -0.626) 0.641 20.649 ( -0.129 0.000 0.190) 0.230 20.667 ( 0.219 0.000 -0.499) 0.545 20.907 ( -0.095 0.000 0.276) 0.291 20.911 ( 0.218 0.000 -0.037) 0.221 21.146 ( 0.066 0.000 -0.396) 0.401 21.186 ( -0.098 0.000 1.548) 1.551 21.197 ( 0.050 0.000 -1.033) 1.035 21.262 ( -0.565 0.000 -0.479) 0.741 22.161 ( -1.248 0.000 1.440) 1.906 22.316 ( -1.883 0.000 -4.797) 5.153 22.414 ( 1.934 0.000 1.418) 2.398 22.449 ( -0.842 0.000 0.853) 1.198 24.033 ( 0.229 0.000 0.193) 0.300 24.076 ( -0.611 0.000 -0.635) 0.881 24.139 ( 0.831 0.000 0.408) 0.926 24.166 ( -0.010 0.000 0.140) 0.141 27.096 ( -0.043 0.000 -0.072) 0.084 27.114 ( -0.135 0.000 -0.566) 0.582 27.224 ( 0.462 0.000 2.405) 2.449 27.319 ( -0.410 0.000 -0.800) 0.899 27.369 ( 0.190 0.000 0.593) 0.623 27.399 ( 0.712 0.000 0.482) 0.860 27.448 ( 0.575 0.000 -0.606) 0.835 27.498 ( -0.139 0.000 -0.246) 0.283 33.467 ( -1.852 0.000 0.315) 1.878 33.487 ( -1.794 0.000 -0.535) 1.872 33.849 ( 0.307 0.000 0.553) 0.632 33.871 ( 0.092 0.000 0.479) 0.488 33.923 ( 0.007 0.000 -0.414) 0.414 33.952 ( -0.830 0.000 -0.939) 1.253 34.097 ( -0.170 0.000 6.660) 6.662 34.491 ( 1.746 0.000 -2.842) 3.335 34.629 ( 0.249 0.000 -1.534) 1.554 34.629 ( -0.320 0.000 -1.237) 1.278 34.972 ( 1.374 0.000 1.334) 1.915 35.019 ( 0.691 0.000 -2.068) 2.181 35.910 ( 4.452 0.000 4.087) 6.043 36.233 ( 6.723 0.000 -1.078) 6.809 36.300 ( -3.187 0.000 -2.132) 3.835 36.319 ( -0.796 0.000 0.946) 1.236 36.766 ( 0.458 0.000 0.294) 0.544 36.828 ( -1.036 0.000 1.550) 1.865 36.887 ( 0.970 0.000 -0.934) 1.347 37.097 ( -2.582 0.000 -15.664) 15.875 37.480 ( -2.238 0.000 0.235) 2.250 37.480 ( -1.362 0.000 -0.239) 1.383 37.829 ( 7.863 0.000 34.111) 35.005 39.364 ( 5.185 0.000 -17.375) 18.132 ======================= Grid point 68 (26/76) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -16.740 0.000 4.298) 17.283 1.712 ( -5.384 0.000 4.410) 6.959 1.962 ( -4.158 0.000 -1.251) 4.342 2.036 ( 0.227 0.000 6.744) 6.748 2.399 ( -4.044 0.000 -2.923) 4.990 2.443 ( 2.338 0.000 0.905) 2.507 2.463 ( -2.452 0.000 -6.877) 7.301 2.617 ( 5.688 0.000 -3.702) 6.786 2.953 ( -6.123 0.000 -6.322) 8.801 3.004 ( -2.165 0.000 4.805) 5.270 3.030 ( 3.229 0.000 -0.655) 3.295 3.090 ( 6.504 0.000 -0.460) 6.520 3.095 ( -3.929 0.000 -3.517) 5.273 3.253 ( 3.971 0.000 -0.717) 4.035 3.294 ( 4.829 0.000 -4.968) 6.928 3.335 ( 0.260 0.000 -6.094) 6.100 3.534 ( -4.377 0.000 5.842) 7.300 3.569 ( 1.689 0.000 1.524) 2.275 3.600 ( -0.443 0.000 2.046) 2.094 3.650 ( -1.247 0.000 5.493) 5.633 3.665 ( -5.603 0.000 1.633) 5.836 3.763 ( 1.469 0.000 -0.951) 1.750 3.791 ( -6.720 0.000 2.361) 7.123 4.104 ( 9.668 0.000 -1.788) 9.832 4.112 ( -0.142 0.000 -3.415) 3.418 4.114 ( -0.958 0.000 3.676) 3.799 4.238 ( 3.837 0.000 1.104) 3.992 4.302 ( 4.256 0.000 1.337) 4.461 4.385 ( -0.573 0.000 -9.347) 9.365 4.400 ( 1.470 0.000 -9.637) 9.749 4.790 ( -1.823 0.000 8.626) 8.816 4.833 ( -9.930 0.000 26.388) 28.195 5.099 ( -4.417 0.000 -0.084) 4.417 5.138 ( -2.535 0.000 -8.395) 8.769 5.267 ( -1.744 0.000 -2.637) 3.161 5.683 ( -0.569 0.000 -0.089) 0.575 5.743 ( 0.745 0.000 -2.710) 2.810 5.835 ( 3.913 0.000 -11.279) 11.939 5.955 ( -4.229 0.000 -0.475) 4.255 6.003 ( 2.863 0.000 5.204) 5.939 6.132 ( 2.177 0.000 0.908) 2.359 6.151 ( 3.877 0.000 -2.038) 4.380 6.260 ( -0.404 0.000 4.396) 4.414 6.471 ( -1.163 0.000 -0.038) 1.163 6.490 ( 0.761 0.000 -0.503) 0.912 6.507 ( 0.952 0.000 -5.786) 5.864 6.644 ( -0.389 0.000 2.469) 2.499 6.668 ( -0.897 0.000 0.545) 1.050 6.803 ( -8.203 0.000 -1.899) 8.419 6.871 ( -10.733 0.000 -0.530) 10.746 6.953 ( -3.466 0.000 3.389) 4.848 6.986 ( 5.751 0.000 -3.487) 6.725 7.041 ( 2.754 0.000 2.000) 3.403 7.075 ( 8.599 0.000 -0.137) 8.600 7.382 ( 2.707 0.000 4.978) 5.666 7.420 ( 4.636 0.000 12.491) 13.324 7.431 ( -3.221 0.000 3.979) 5.120 7.472 ( 1.637 0.000 1.799) 2.432 7.588 ( -2.164 0.000 -1.903) 2.882 7.611 ( 3.648 0.000 4.424) 5.734 7.746 ( -2.621 0.000 0.016) 2.621 7.814 ( 0.215 0.000 -3.947) 3.953 7.824 ( 5.810 0.000 -0.910) 5.881 7.865 ( 2.232 0.000 -5.972) 6.375 8.218 ( -5.144 0.000 -3.181) 6.048 8.313 ( 2.089 0.000 -3.862) 4.391 8.512 ( 1.132 0.000 7.126) 7.215 8.910 ( 5.019 0.000 -10.182) 11.352 9.308 ( -0.901 0.000 0.229) 0.930 9.346 ( -0.972 0.000 -1.524) 1.808 9.689 ( 2.900 0.000 7.764) 8.288 9.935 ( 0.106 0.000 -6.610) 6.611 12.681 ( -2.834 0.000 -0.854) 2.960 12.694 ( 0.054 0.000 0.732) 0.734 12.772 ( -0.867 0.000 -0.450) 0.977 12.790 ( 2.038 0.000 0.767) 2.177 13.131 ( -0.648 0.000 -0.016) 0.649 13.144 ( 0.584 0.000 -0.205) 0.619 13.451 ( -0.397 0.000 2.389) 2.422 13.547 ( 0.697 0.000 -2.010) 2.127 14.359 ( 1.393 0.000 0.584) 1.511 14.370 ( -0.504 0.000 -1.009) 1.128 14.496 ( 0.578 0.000 0.701) 0.908 14.503 ( -0.713 0.000 -0.440) 0.838 14.988 ( 1.850 0.000 4.362) 4.738 15.094 ( -1.471 0.000 -2.745) 3.115 15.288 ( -4.577 0.000 -1.004) 4.686 15.337 ( 0.734 0.000 -0.702) 1.015 18.286 ( -1.598 0.000 -0.530) 1.684 18.292 ( -0.319 0.000 0.381) 0.497 18.328 ( 1.532 0.000 -0.018) 1.532 18.351 ( 2.480 0.000 -0.178) 2.487 18.619 ( -2.067 0.000 -1.359) 2.474 18.619 ( 1.570 0.000 0.837) 1.779 18.667 ( 1.396 0.000 0.581) 1.512 18.701 ( 2.331 0.000 -0.513) 2.387 20.647 ( -0.200 0.000 0.196) 0.280 20.666 ( 0.137 0.000 -0.503) 0.521 20.906 ( -0.263 0.000 0.203) 0.332 20.914 ( 0.125 0.000 0.034) 0.129 21.149 ( 0.316 0.000 0.284) 0.425 21.180 ( -0.625 0.000 -1.474) 1.601 21.205 ( 0.494 0.000 1.843) 1.908 21.247 ( -0.310 0.000 -1.024) 1.070 22.153 ( -1.100 0.000 1.565) 1.913 22.269 ( 0.482 0.000 -3.470) 3.504 22.436 ( -1.006 0.000 0.111) 1.013 22.470 ( 3.127 0.000 0.732) 3.211 24.042 ( 0.414 0.000 0.582) 0.714 24.059 ( -0.439 0.000 -0.895) 0.997 24.159 ( 0.698 0.000 0.645) 0.950 24.161 ( -0.590 0.000 -0.228) 0.632 27.100 ( -0.959 0.000 -0.455) 1.061 27.102 ( 0.526 0.000 0.148) 0.547 27.245 ( 0.038 0.000 2.401) 2.401 27.301 ( -0.372 0.000 -1.146) 1.205 27.381 ( 0.237 0.000 0.973) 1.001 27.408 ( 0.067 0.000 -0.072) 0.098 27.466 ( 1.533 0.000 0.615) 1.652 27.472 ( -1.861 0.000 -1.290) 2.265 33.463 ( 1.331 0.000 0.273) 1.358 33.487 ( 2.280 0.000 -0.476) 2.329 33.877 ( 1.735 0.000 1.357) 2.203 33.878 ( 0.019 0.000 0.495) 0.495 33.912 ( -0.412 0.000 -0.646) 0.766 33.917 ( -1.383 0.000 -1.622) 2.132 34.163 ( -0.184 0.000 8.714) 8.716 34.501 ( 2.977 0.000 -4.498) 5.394 34.598 ( -1.856 0.000 -2.778) 3.340 34.618 ( -0.102 0.000 -1.171) 1.176 34.983 ( -2.334 0.000 -0.398) 2.368 34.985 ( -0.948 0.000 0.888) 1.299 36.042 ( 4.283 0.000 7.254) 8.424 36.173 ( -6.708 0.000 -5.007) 8.371 36.268 ( -5.313 0.000 -0.859) 5.382 36.321 ( 2.529 0.000 -0.007) 2.529 36.778 ( -0.042 0.000 1.647) 1.647 36.825 ( -0.828 0.000 1.530) 1.740 36.886 ( -0.075 0.000 -0.905) 0.909 36.920 ( -4.197 0.000 -9.674) 10.546 37.477 ( 1.721 0.000 0.001) 1.721 37.489 ( 2.446 0.000 0.039) 2.446 38.169 ( -1.849 0.000 32.368) 32.421 39.298 ( 7.132 0.000 -22.794) 23.884 ======================= Grid point 69 (27/76) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -24.891 0.000 4.530) 25.299 1.490 ( -20.915 0.000 -0.475) 20.920 1.804 ( -10.896 0.000 -2.055) 11.088 2.085 ( -3.547 0.000 5.545) 6.582 2.300 ( -5.596 0.000 4.782) 7.361 2.404 ( -1.066 0.000 -2.318) 2.552 2.570 ( 7.730 0.000 3.462) 8.470 2.699 ( 0.020 0.000 -4.890) 4.890 2.802 ( -23.579 0.000 -11.973) 26.445 2.829 ( -4.148 0.000 -1.672) 4.472 2.991 ( -3.344 0.000 -2.661) 4.273 3.001 ( -1.470 0.000 2.630) 3.014 3.191 ( 7.509 0.000 -2.539) 7.927 3.253 ( 0.520 0.000 -3.114) 3.157 3.305 ( 2.927 0.000 -1.693) 3.381 3.327 ( 5.467 0.000 -5.631) 7.848 3.480 ( -3.283 0.000 4.069) 5.228 3.560 ( -2.856 0.000 -0.593) 2.917 3.632 ( 0.983 0.000 0.670) 1.189 3.668 ( -0.860 0.000 8.149) 8.194 3.686 ( 2.059 0.000 2.060) 2.912 3.721 ( -3.400 0.000 3.584) 4.940 3.776 ( 0.769 0.000 -3.141) 3.234 4.026 ( -3.068 0.000 0.231) 3.077 4.092 ( -2.815 0.000 2.861) 4.013 4.240 ( 7.336 0.000 -5.229) 9.009 4.285 ( 0.844 0.000 -11.826) 11.856 4.352 ( 2.071 0.000 -8.909) 9.147 4.421 ( 10.156 0.000 8.769) 13.418 4.456 ( 9.660 0.000 4.132) 10.507 4.849 ( -15.794 0.000 27.374) 31.604 4.858 ( -1.167 0.000 12.527) 12.582 4.993 ( -5.670 0.000 -10.179) 11.652 5.052 ( -1.072 0.000 -1.492) 1.837 5.270 ( 2.060 0.000 -1.128) 2.348 5.653 ( -2.071 0.000 -0.635) 2.166 5.723 ( -0.339 0.000 -1.486) 1.524 5.815 ( 2.935 0.000 -6.605) 7.228 5.922 ( 0.826 0.000 -1.661) 1.855 6.081 ( 1.833 0.000 4.530) 4.886 6.168 ( 2.183 0.000 -1.749) 2.798 6.226 ( 3.628 0.000 -5.162) 6.310 6.280 ( -2.911 0.000 6.710) 7.315 6.462 ( -0.185 0.000 -0.932) 0.950 6.474 ( 2.812 0.000 -4.059) 4.938 6.500 ( -0.134 0.000 0.613) 0.628 6.615 ( -5.336 0.000 0.492) 5.358 6.621 ( -4.593 0.000 -1.416) 4.807 6.668 ( -3.850 0.000 -0.095) 3.851 6.708 ( -5.212 0.000 0.445) 5.231 6.880 ( -5.797 0.000 0.796) 5.851 7.009 ( -0.445 0.000 -0.485) 0.658 7.137 ( 6.950 0.000 -2.509) 7.389 7.184 ( 3.471 0.000 0.087) 3.472 7.372 ( -5.699 0.000 0.683) 5.740 7.432 ( -0.802 0.000 0.507) 0.949 7.472 ( -0.841 0.000 -1.884) 2.063 7.568 ( 6.138 0.000 1.949) 6.440 7.618 ( -0.245 0.000 7.790) 7.794 7.676 ( 5.144 0.000 -2.769) 5.842 7.702 ( -1.930 0.000 -1.654) 2.542 7.818 ( 3.398 0.000 -1.480) 3.706 7.869 ( 3.630 0.000 -0.065) 3.631 7.917 ( 6.240 0.000 -1.083) 6.333 8.273 ( 6.838 0.000 7.079) 9.842 8.277 ( -3.208 0.000 -2.077) 3.822 8.747 ( 16.327 0.000 10.199) 19.251 8.856 ( 0.138 0.000 -12.348) 12.349 9.321 ( 0.988 0.000 2.734) 2.908 9.365 ( 3.213 0.000 0.668) 3.281 9.810 ( 3.336 0.000 7.343) 8.066 9.885 ( 2.037 0.000 -8.681) 8.917 12.619 ( -3.588 0.000 -0.763) 3.668 12.685 ( -2.064 0.000 1.556) 2.585 12.756 ( -0.215 0.000 -1.314) 1.331 12.819 ( 0.712 0.000 0.210) 0.743 13.134 ( 0.828 0.000 0.975) 1.279 13.149 ( 0.051 0.000 -0.628) 0.630 13.468 ( -0.084 0.000 2.754) 2.755 13.528 ( -0.420 0.000 -3.447) 3.472 14.365 ( 0.890 0.000 -0.461) 1.003 14.395 ( 1.977 0.000 0.571) 2.058 14.489 ( -0.490 0.000 -0.320) 0.585 14.511 ( 0.426 0.000 0.528) 0.679 15.011 ( -3.862 0.000 -5.004) 6.321 15.035 ( -0.323 0.000 2.627) 2.647 15.194 ( -5.300 0.000 1.016) 5.397 15.319 ( -2.782 0.000 -0.709) 2.871 18.270 ( -0.093 0.000 -0.134) 0.164 18.285 ( -0.393 0.000 0.260) 0.471 18.374 ( 3.314 0.000 0.361) 3.334 18.386 ( 1.957 0.000 -1.047) 2.220 18.600 ( 0.883 0.000 0.509) 1.019 18.648 ( 0.636 0.000 0.598) 0.873 18.717 ( 3.819 0.000 0.559) 3.859 18.733 ( 2.454 0.000 -2.020) 3.178 20.645 ( -0.268 0.000 0.248) 0.365 20.663 ( 0.063 0.000 -0.449) 0.454 20.902 ( -0.371 0.000 0.157) 0.403 20.916 ( 0.036 0.000 0.009) 0.037 21.156 ( -0.740 0.000 -1.112) 1.336 21.160 ( 0.438 0.000 0.665) 0.797 21.231 ( 0.520 0.000 1.905) 1.975 21.236 ( 0.137 0.000 -1.142) 1.150 22.155 ( -0.875 0.000 3.114) 3.235 22.266 ( 2.094 0.000 -2.419) 3.199 22.420 ( -0.641 0.000 -0.493) 0.809 22.516 ( 2.157 0.000 -1.171) 2.455 24.048 ( 0.059 0.000 -0.838) 0.840 24.057 ( 0.443 0.000 0.974) 1.070 24.144 ( -0.848 0.000 -0.680) 1.087 24.167 ( -0.205 0.000 0.113) 0.234 27.085 ( -0.269 0.000 0.573) 0.633 27.110 ( 0.415 0.000 -0.166) 0.447 27.271 ( 0.398 0.000 2.505) 2.536 27.291 ( 0.233 0.000 -0.981) 1.008 27.390 ( -0.220 0.000 0.682) 0.717 27.405 ( 0.095 0.000 -0.864) 0.869 27.424 ( -2.145 0.000 -1.125) 2.422 27.498 ( 1.311 0.000 0.299) 1.345 33.521 ( 4.980 0.000 0.738) 5.034 33.548 ( 5.199 0.000 -0.778) 5.257 33.866 ( -0.728 0.000 -0.890) 1.150 33.895 ( -0.115 0.000 -0.881) 0.889 33.903 ( -0.008 0.000 0.545) 0.546 33.927 ( 1.554 0.000 1.564) 2.205 34.241 ( 0.315 0.000 8.683) 8.688 34.466 ( -0.179 0.000 -11.687) 11.688 34.563 ( 0.532 0.000 1.664) 1.747 34.606 ( -0.558 0.000 -0.069) 0.562 34.950 ( -2.571 0.000 1.402) 2.929 34.956 ( -3.179 0.000 -0.023) 3.179 35.989 ( -8.923 0.000 -5.519) 10.492 36.115 ( -7.474 0.000 -2.725) 7.956 36.170 ( -0.453 0.000 7.832) 7.845 36.312 ( -3.807 0.000 -0.258) 3.816 36.796 ( -0.587 0.000 3.755) 3.801 36.820 ( 0.426 0.000 -1.978) 2.024 36.838 ( 0.766 0.000 -0.373) 0.852 36.876 ( -0.163 0.000 -0.476) 0.503 37.531 ( 4.442 0.000 -0.201) 4.446 37.555 ( 4.893 0.000 0.080) 4.893 38.344 ( -9.133 0.000 29.355) 30.743 39.167 ( 6.954 0.000 -38.385) 39.010 ======================= Grid point 70 (28/76) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -27.664 0.000 4.592) 28.043 1.057 ( -28.529 0.000 0.137) 28.529 1.585 ( -12.311 0.000 -3.659) 12.844 1.879 ( -49.453 0.000 -11.596) 50.795 1.948 ( -12.348 0.000 -1.482) 12.437 2.337 ( 0.499 0.000 8.251) 8.266 2.428 ( -1.841 0.000 4.274) 4.653 2.709 ( 5.304 0.000 -0.622) 5.340 2.794 ( 0.370 0.000 3.112) 3.134 2.821 ( 1.401 0.000 2.581) 2.937 2.961 ( -1.058 0.000 3.704) 3.853 3.018 ( 3.723 0.000 -1.346) 3.958 3.212 ( 1.939 0.000 -9.512) 9.707 3.308 ( 4.916 0.000 0.619) 4.955 3.322 ( 0.889 0.000 -2.196) 2.369 3.397 ( 6.343 0.000 -0.852) 6.400 3.465 ( -2.325 0.000 2.944) 3.752 3.501 ( -2.417 0.000 -0.964) 2.603 3.610 ( -1.235 0.000 -1.039) 1.614 3.704 ( 0.040 0.000 -8.445) 8.445 3.737 ( -1.012 0.000 7.326) 7.395 3.755 ( 1.696 0.000 6.309) 6.533 3.766 ( 2.593 0.000 3.439) 4.306 4.025 ( 1.386 0.000 -1.040) 1.733 4.122 ( 1.473 0.000 6.203) 6.376 4.200 ( 0.337 0.000 -9.595) 9.601 4.298 ( 2.155 0.000 -3.052) 3.736 4.314 ( 4.683 0.000 -7.153) 8.550 4.629 ( 3.856 0.000 -8.685) 9.503 4.684 ( 9.997 0.000 8.929) 13.404 4.758 ( -11.762 0.000 1.215) 11.825 4.821 ( -7.823 0.000 17.073) 18.780 4.918 ( -1.735 0.000 -1.966) 2.622 5.060 ( 1.291 0.000 13.505) 13.566 5.247 ( -5.426 0.000 1.893) 5.747 5.617 ( -2.022 0.000 0.755) 2.159 5.724 ( 0.431 0.000 1.523) 1.583 5.789 ( 0.039 0.000 -11.271) 11.271 5.939 ( 3.327 0.000 2.874) 4.396 6.106 ( -3.632 0.000 -3.024) 4.726 6.168 ( 1.745 0.000 -5.595) 5.860 6.183 ( 0.124 0.000 0.232) 0.263 6.286 ( -3.144 0.000 7.164) 7.824 6.393 ( -1.947 0.000 -4.171) 4.603 6.471 ( -2.527 0.000 2.213) 3.359 6.544 ( 4.845 0.000 0.726) 4.900 6.569 ( 0.183 0.000 -1.566) 1.577 6.618 ( -3.551 0.000 1.265) 3.769 6.630 ( 1.228 0.000 6.054) 6.177 6.665 ( -1.823 0.000 0.103) 1.826 6.821 ( -1.331 0.000 0.662) 1.487 6.964 ( -3.764 0.000 -2.805) 4.694 7.195 ( 6.165 0.000 -4.050) 7.376 7.202 ( -0.622 0.000 0.093) 0.629 7.336 ( 1.669 0.000 -2.459) 2.971 7.425 ( 2.364 0.000 -0.970) 2.555 7.432 ( -2.067 0.000 -2.156) 2.986 7.586 ( 0.768 0.000 -4.180) 4.250 7.667 ( 0.268 0.000 -1.620) 1.642 7.766 ( 7.454 0.000 5.771) 9.427 7.772 ( 4.773 0.000 1.622) 5.041 7.870 ( 3.144 0.000 -1.819) 3.632 7.934 ( 1.659 0.000 2.736) 3.200 8.008 ( 4.090 0.000 1.138) 4.245 8.210 ( -1.300 0.000 -2.965) 3.237 8.416 ( -0.287 0.000 4.296) 4.306 8.784 ( 4.507 0.000 -5.404) 7.037 9.121 ( 13.323 0.000 10.445) 16.929 9.400 ( 4.681 0.000 5.968) 7.584 9.427 ( 3.155 0.000 -0.485) 3.192 9.857 ( 3.708 0.000 -8.296) 9.087 9.927 ( 3.143 0.000 7.382) 8.023 12.552 ( -3.415 0.000 -0.509) 3.452 12.656 ( -2.419 0.000 0.599) 2.492 12.743 ( -0.308 0.000 -0.278) 0.415 12.820 ( -0.341 0.000 -0.205) 0.398 13.132 ( -0.844 0.000 -1.067) 1.360 13.175 ( 2.318 0.000 1.496) 2.759 13.470 ( -1.957 0.000 -5.001) 5.370 13.495 ( 0.081 0.000 2.667) 2.668 14.392 ( 2.157 0.000 0.347) 2.185 14.428 ( 1.359 0.000 0.101) 1.363 14.481 ( -0.181 0.000 -0.239) 0.300 14.514 ( -0.375 0.000 -0.214) 0.432 14.908 ( -2.568 0.000 -3.720) 4.521 15.021 ( -2.800 0.000 1.236) 3.061 15.147 ( -2.533 0.000 2.665) 3.677 15.220 ( -7.153 0.000 -2.301) 7.514 18.275 ( 0.633 0.000 -0.028) 0.633 18.285 ( 0.213 0.000 -0.018) 0.214 18.409 ( 1.966 0.000 -0.301) 1.988 18.429 ( 2.397 0.000 0.063) 2.398 18.637 ( 1.620 0.000 0.579) 1.721 18.675 ( 1.677 0.000 2.011) 2.619 18.758 ( 2.870 0.000 -1.369) 3.180 18.774 ( 2.668 0.000 -1.005) 2.851 20.643 ( -0.292 0.000 0.337) 0.446 20.661 ( 0.044 0.000 -0.334) 0.337 20.897 ( -0.372 0.000 0.142) 0.398 20.915 ( -0.029 0.000 -0.122) 0.126 21.140 ( -0.325 0.000 -0.327) 0.462 21.174 ( 0.410 0.000 0.762) 0.865 21.232 ( 0.448 0.000 -0.889) 0.995 21.254 ( 0.275 0.000 1.838) 1.858 22.197 ( 0.785 0.000 9.032) 9.066 22.295 ( 3.538 0.000 -1.768) 3.956 22.409 ( -0.051 0.000 -0.640) 0.642 22.517 ( -0.135 0.000 -2.306) 2.310 24.046 ( 0.489 0.000 -0.742) 0.889 24.074 ( 0.364 0.000 1.445) 1.490 24.124 ( -0.609 0.000 -0.883) 1.073 24.154 ( -1.219 0.000 -0.269) 1.248 27.110 ( 2.125 0.000 1.185) 2.433 27.116 ( 0.601 0.000 -0.263) 0.656 27.279 ( -0.378 0.000 -3.505) 3.525 27.296 ( -0.051 0.000 2.075) 2.076 27.367 ( -1.829 0.000 -0.663) 1.945 27.396 ( 0.215 0.000 -2.072) 2.083 27.403 ( -0.631 0.000 0.632) 0.893 27.496 ( -0.994 0.000 -2.842) 3.011 33.631 ( 5.302 0.000 -1.576) 5.532 33.637 ( 7.338 0.000 1.102) 7.420 33.861 ( 0.497 0.000 0.080) 0.503 33.885 ( -0.061 0.000 -0.822) 0.824 33.906 ( -0.232 0.000 0.311) 0.389 33.954 ( 0.125 0.000 0.584) 0.597 34.325 ( 1.785 0.000 6.956) 7.182 34.344 ( -1.621 0.000 -11.680) 11.792 34.605 ( -0.042 0.000 1.436) 1.436 34.616 ( 3.689 0.000 0.612) 3.739 34.865 ( -6.993 0.000 -1.829) 7.229 34.900 ( -3.771 0.000 -0.939) 3.887 35.807 ( -7.015 0.000 -3.359) 7.778 35.911 ( -11.996 0.000 -2.105) 12.179 36.201 ( -8.110 0.000 -0.043) 8.110 36.243 ( 0.459 0.000 7.361) 7.375 36.821 ( -1.332 0.000 5.529) 5.687 36.833 ( 1.013 0.000 0.050) 1.014 36.876 ( 0.405 0.000 -0.091) 0.415 36.913 ( 9.427 0.000 -1.690) 9.577 37.611 ( 4.837 0.000 -0.253) 4.844 37.642 ( 4.962 0.000 -0.115) 4.964 38.370 ( -16.995 0.000 26.252) 31.273 38.727 ( -6.983 0.000 -76.046) 76.366 ======================= Grid point 71 (29/76) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -23.209 0.000 11.105) 25.729 0.604 ( -26.732 0.000 11.111) 28.949 1.007 ( -43.899 0.000 18.237) 47.537 1.403 ( -8.452 0.000 -3.839) 9.283 1.708 ( -10.264 0.000 -7.088) 12.474 2.384 ( -1.423 0.000 1.700) 2.217 2.446 ( -2.311 0.000 6.347) 6.754 2.742 ( 0.801 0.000 -2.436) 2.564 2.809 ( -3.025 0.000 0.346) 3.044 2.858 ( 2.204 0.000 2.229) 3.135 2.982 ( -1.981 0.000 4.514) 4.930 3.074 ( 3.457 0.000 -5.284) 6.314 3.164 ( 2.845 0.000 -7.036) 7.590 3.307 ( -0.936 0.000 1.717) 1.955 3.368 ( 1.273 0.000 1.833) 2.231 3.457 ( -0.646 0.000 0.408) 0.764 3.467 ( -1.512 0.000 -0.067) 1.514 3.528 ( 6.395 0.000 4.004) 7.545 3.603 ( 1.160 0.000 -1.133) 1.621 3.636 ( 0.919 0.000 -7.076) 7.136 3.787 ( -1.082 0.000 6.177) 6.271 3.815 ( -2.134 0.000 7.779) 8.066 3.878 ( 6.021 0.000 4.753) 7.671 3.964 ( -2.231 0.000 -14.967) 15.132 4.119 ( -0.426 0.000 -7.920) 7.932 4.222 ( 2.514 0.000 5.170) 5.748 4.250 ( -6.845 0.000 -10.933) 12.899 4.318 ( 0.120 0.000 -4.229) 4.231 4.427 ( 3.314 0.000 -4.578) 5.651 4.700 ( -7.852 0.000 8.337) 11.453 4.802 ( -2.848 0.000 -10.498) 10.877 4.867 ( 4.534 0.000 3.637) 5.813 4.963 ( 8.374 0.000 4.917) 9.711 5.160 ( -9.445 0.000 10.958) 14.467 5.331 ( 9.348 0.000 13.495) 16.417 5.601 ( -0.954 0.000 2.735) 2.896 5.675 ( 0.071 0.000 -7.526) 7.526 5.749 ( -0.600 0.000 3.056) 3.115 5.998 ( -1.865 0.000 -5.667) 5.966 6.017 ( 1.007 0.000 -4.831) 4.935 6.176 ( 4.416 0.000 -5.113) 6.756 6.186 ( -0.445 0.000 6.159) 6.175 6.379 ( 1.093 0.000 0.610) 1.252 6.424 ( 9.602 0.000 10.316) 14.093 6.512 ( 3.555 0.000 8.053) 8.803 6.563 ( 2.282 0.000 4.353) 4.915 6.589 ( -0.546 0.000 1.325) 1.433 6.617 ( 0.138 0.000 2.071) 2.076 6.634 ( 0.434 0.000 -0.762) 0.877 6.672 ( -1.653 0.000 3.811) 4.154 6.828 ( 0.347 0.000 0.384) 0.518 6.872 ( -2.196 0.000 -3.847) 4.430 7.208 ( 1.809 0.000 3.388) 3.841 7.261 ( 1.962 0.000 -3.381) 3.909 7.361 ( -3.905 0.000 -3.282) 5.101 7.370 ( 5.363 0.000 -0.858) 5.431 7.505 ( 6.869 0.000 -0.674) 6.902 7.576 ( 2.318 0.000 -3.640) 4.315 7.666 ( 1.653 0.000 -2.737) 3.198 7.779 ( -7.725 0.000 -13.424) 15.488 7.843 ( 1.242 0.000 2.222) 2.545 7.936 ( 3.488 0.000 4.161) 5.430 7.973 ( 0.206 0.000 3.618) 3.624 8.065 ( 1.214 0.000 1.100) 1.638 8.190 ( 1.843 0.000 -2.728) 3.292 8.335 ( -6.687 0.000 -2.247) 7.054 8.903 ( 6.443 0.000 3.048) 7.128 9.295 ( 1.215 0.000 2.097) 2.423 9.458 ( 2.016 0.000 -1.914) 2.780 9.502 ( -1.788 0.000 -7.866) 8.066 9.886 ( 6.040 0.000 -2.122) 6.401 10.143 ( 14.975 0.000 18.284) 23.634 12.505 ( -1.726 0.000 0.616) 1.833 12.616 ( -1.906 0.000 -0.959) 2.133 12.743 ( -0.180 0.000 1.039) 1.055 12.810 ( -0.462 0.000 -0.277) 0.539 13.116 ( -0.079 0.000 -0.276) 0.287 13.219 ( 1.421 0.000 0.210) 1.437 13.384 ( -2.646 0.000 -2.899) 3.925 13.505 ( -1.210 0.000 1.442) 1.883 14.434 ( 1.969 0.000 0.558) 2.046 14.441 ( 0.530 0.000 -0.389) 0.657 14.482 ( 0.252 0.000 0.229) 0.341 14.497 ( -0.804 0.000 -0.617) 1.013 14.901 ( 2.795 0.000 2.127) 3.512 14.978 ( -3.029 0.000 0.629) 3.094 15.069 ( -6.504 0.000 -2.172) 6.857 15.133 ( -1.693 0.000 1.278) 2.121 18.285 ( 0.493 0.000 -0.025) 0.494 18.290 ( 0.382 0.000 -0.072) 0.389 18.443 ( 1.379 0.000 0.020) 1.379 18.455 ( 1.024 0.000 -0.064) 1.026 18.660 ( 1.092 0.000 0.932) 1.436 18.713 ( 0.077 0.000 0.224) 0.236 18.802 ( 2.321 0.000 -0.267) 2.337 18.804 ( 2.302 0.000 -0.025) 2.302 20.642 ( -0.245 0.000 0.433) 0.497 20.659 ( 0.101 0.000 -0.207) 0.230 20.893 ( -0.207 0.000 0.141) 0.250 20.913 ( -0.044 0.000 -0.315) 0.318 21.138 ( 0.003 0.000 0.366) 0.366 21.183 ( 0.009 0.000 0.042) 0.043 21.235 ( 0.585 0.000 -0.457) 0.743 21.275 ( 0.437 0.000 0.855) 0.960 22.356 ( 5.043 0.000 -0.875) 5.118 22.406 ( 0.638 0.000 -0.164) 0.659 22.446 ( 15.444 0.000 20.936) 26.016 22.480 ( -1.660 0.000 -1.939) 2.552 24.054 ( 1.076 0.000 -0.377) 1.140 24.105 ( 1.620 0.000 2.865) 3.291 24.112 ( 0.071 0.000 -0.610) 0.614 24.128 ( -1.434 0.000 -0.176) 1.445 27.083 ( -10.014 0.000 -13.051) 16.450 27.145 ( -2.578 0.000 -2.162) 3.365 27.164 ( 2.905 0.000 0.347) 2.926 27.298 ( -1.580 0.000 1.117) 1.935 27.340 ( -1.164 0.000 0.372) 1.222 27.375 ( -0.581 0.000 -1.297) 1.421 27.396 ( -0.700 0.000 0.609) 0.928 27.433 ( -1.950 0.000 -1.115) 2.246 33.695 ( 3.869 0.000 -0.897) 3.972 33.769 ( 6.494 0.000 1.004) 6.571 33.846 ( -2.521 0.000 -1.406) 2.886 33.876 ( -0.363 0.000 -0.718) 0.805 33.911 ( 0.680 0.000 0.247) 0.724 33.938 ( -1.491 0.000 -0.847) 1.715 34.163 ( -7.875 0.000 -13.554) 15.675 34.422 ( 2.935 0.000 4.772) 5.602 34.637 ( 1.209 0.000 3.815) 4.002 34.645 ( -1.274 0.000 -4.373) 4.555 34.687 ( -9.664 0.000 -4.584) 10.696 34.832 ( -2.017 0.000 0.087) 2.019 35.703 ( -3.393 0.000 -1.168) 3.589 35.711 ( -8.840 0.000 -0.168) 8.842 36.071 ( -6.095 0.000 -0.131) 6.096 36.335 ( 1.505 0.000 2.265) 2.719 36.843 ( -2.562 0.000 6.164) 6.675 36.848 ( 0.476 0.000 0.431) 0.642 36.885 ( 0.368 0.000 0.044) 0.371 37.093 ( 14.638 0.000 -6.107) 15.861 37.353 ( -53.152 0.000 -70.271) 88.109 37.699 ( 1.975 0.000 -2.532) 3.211 37.708 ( 2.864 0.000 -0.350) 2.886 38.205 ( -27.413 0.000 20.627) 34.306 ======================= Grid point 72 (30/76) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 9.431 11.357 21.833) 26.355 1.012 ( -1.172 28.148 16.913) 32.859 1.368 ( 6.654 12.677 13.279) 19.528 1.509 ( 4.525 15.643 4.607) 16.924 1.647 ( -1.340 17.331 -4.447) 17.943 2.298 ( -2.022 -6.426 4.549) 8.129 2.406 ( -4.687 4.566 -8.350) 10.608 2.612 ( -9.363 -4.439 -9.189) 13.850 2.820 ( -0.265 3.572 2.382) 4.302 2.931 ( 0.973 1.618 -0.871) 2.079 2.980 ( -0.334 -2.556 -4.974) 5.602 3.158 ( 2.937 6.290 -0.508) 6.961 3.186 ( 0.552 -1.455 -2.823) 3.224 3.245 ( -2.703 1.493 4.209) 5.221 3.349 ( 1.371 -4.547 4.790) 6.745 3.438 ( 2.059 -1.585 -0.518) 2.649 3.472 ( 2.777 -3.787 5.378) 7.140 3.542 ( -3.987 -2.725 2.440) 5.411 3.615 ( 2.037 7.302 -14.300) 16.185 3.784 ( 4.354 -0.536 -2.411) 5.005 3.812 ( -2.603 5.300 -1.799) 6.173 3.872 ( 1.710 8.706 -2.183) 9.137 3.916 ( 0.132 9.587 5.403) 11.005 4.007 ( -0.637 0.584 -1.451) 1.689 4.054 ( 1.868 1.861 6.417) 6.938 4.154 ( -1.058 2.651 -4.969) 5.731 4.227 ( -5.299 0.882 -3.186) 6.245 4.313 ( 2.986 0.901 -4.756) 5.687 4.481 ( -2.977 -3.051 3.446) 5.481 4.607 ( -1.178 1.928 -3.250) 3.959 4.788 ( 0.236 6.157 -5.092) 7.993 4.843 ( -1.413 -3.823 -3.862) 5.615 5.075 ( -2.528 -0.972 7.185) 7.678 5.114 ( -3.564 -7.673 5.691) 10.197 5.274 ( -1.373 0.678 6.860) 7.029 5.583 ( 5.647 -5.868 -1.403) 8.264 5.650 ( -1.374 -0.063 3.420) 3.686 5.795 ( -0.083 2.876 1.735) 3.360 5.931 ( 1.216 -2.092 -3.627) 4.360 5.971 ( 2.475 0.314 -2.934) 3.851 6.142 ( -3.743 -2.687 3.245) 5.635 6.231 ( -6.508 -4.318 6.212) 9.979 6.335 ( 2.473 -0.733 1.623) 3.047 6.479 ( 0.341 1.173 1.932) 2.286 6.515 ( -1.043 4.844 2.476) 5.539 6.582 ( 1.175 1.574 2.114) 2.886 6.593 ( 1.878 1.884 0.554) 2.717 6.661 ( -4.664 2.883 2.769) 6.143 6.714 ( -0.902 3.293 1.090) 3.584 6.756 ( 0.694 2.465 0.640) 2.639 6.852 ( 0.456 2.204 -4.492) 5.024 6.882 ( 0.256 4.288 -1.312) 4.492 7.199 ( 0.004 4.670 0.180) 4.673 7.260 ( -0.032 2.296 -0.559) 2.363 7.419 ( 0.117 0.671 -1.593) 1.733 7.441 ( 0.808 1.341 0.976) 1.845 7.537 ( 3.640 -5.023 1.068) 6.295 7.638 ( 4.019 5.545 -5.131) 8.557 7.696 ( -0.729 5.007 -0.193) 5.064 7.706 ( 1.099 0.976 -1.319) 1.975 7.891 ( -0.626 0.776 2.129) 2.351 7.939 ( -3.477 3.874 -0.016) 5.206 7.997 ( -1.590 -0.340 2.953) 3.371 8.107 ( 0.683 2.121 0.192) 2.236 8.196 ( -0.358 -2.955 -3.178) 4.354 8.197 ( 0.359 -0.762 -0.982) 1.293 8.829 ( -0.833 -12.670 1.961) 12.848 9.024 ( -2.739 -14.898 -5.960) 16.278 9.393 ( -2.878 -0.818 -1.743) 3.462 9.440 ( -1.674 -1.850 -2.468) 3.509 9.854 ( 6.784 -14.089 5.770) 16.667 10.023 ( -5.538 -15.327 2.245) 16.451 12.498 ( 0.374 -0.177 1.554) 1.608 12.594 ( -0.321 0.499 -2.303) 2.378 12.779 ( 0.028 -0.409 0.411) 0.581 12.815 ( -0.353 0.205 -0.739) 0.844 13.106 ( 1.516 -1.744 1.212) 2.610 13.147 ( -0.471 -4.788 -0.640) 4.854 13.365 ( 2.983 -5.129 1.980) 6.255 13.429 ( -1.587 -4.872 -1.370) 5.304 14.565 ( 0.235 10.213 0.399) 10.224 14.604 ( -1.487 12.627 -1.196) 12.770 14.634 ( 2.880 11.169 1.859) 11.683 14.651 ( 0.463 14.330 0.623) 14.351 14.921 ( -1.948 1.299 -0.930) 2.519 14.930 ( -1.481 -0.252 -0.776) 1.691 15.041 ( 3.862 -0.747 2.059) 4.440 15.089 ( -1.499 -1.439 -0.375) 2.112 18.272 ( 0.325 -2.940 0.497) 3.000 18.321 ( -1.206 -0.548 -1.858) 2.282 18.423 ( 1.478 -1.421 1.759) 2.701 18.436 ( 0.321 -4.439 0.818) 4.525 18.530 ( 0.072 -11.534 -0.162) 11.535 18.580 ( -1.615 -7.280 -2.091) 7.744 18.743 ( 0.827 -6.165 0.593) 6.248 18.755 ( 0.172 -6.144 0.391) 6.159 20.680 ( -0.110 2.130 -0.061) 2.133 20.694 ( -0.003 2.811 -0.772) 2.915 20.880 ( -0.259 -1.091 0.308) 1.163 20.899 ( 0.016 -0.986 -0.393) 1.062 21.147 ( 0.111 0.274 0.650) 0.714 21.177 ( 0.116 -0.092 -0.431) 0.456 21.240 ( -0.523 -0.469 0.197) 0.730 21.244 ( -0.405 -0.344 0.071) 0.536 22.279 ( -6.370 -7.243 7.480) 12.206 22.378 ( 1.108 -3.058 0.034) 3.253 22.421 ( -0.582 -0.503 0.051) 0.771 22.448 ( 2.428 -1.618 -0.517) 2.964 24.067 ( 0.219 -0.585 0.369) 0.725 24.070 ( -0.528 -0.828 0.442) 1.077 24.119 ( 0.229 0.609 -0.289) 0.711 24.122 ( 0.029 0.719 -0.287) 0.775 27.034 ( 7.049 -5.323 3.779) 9.608 27.106 ( -1.385 -3.874 0.174) 4.117 27.133 ( -0.537 -3.178 0.197) 3.229 27.182 ( -1.323 -4.443 -1.357) 4.831 27.466 ( -0.090 5.982 0.947) 6.057 27.475 ( -0.136 5.041 0.147) 5.045 27.500 ( -0.595 8.708 0.142) 8.729 27.630 ( 1.959 9.444 -5.997) 11.357 33.760 ( 1.989 0.726 1.195) 2.431 33.836 ( -1.299 1.258 -1.520) 2.362 33.862 ( 0.320 -0.462 1.432) 1.538 33.901 ( 1.229 1.264 0.670) 1.886 33.914 ( -0.713 0.261 -0.281) 0.810 33.983 ( -2.234 2.694 -2.959) 4.584 34.162 ( 7.108 -4.215 4.382) 9.354 34.334 ( -6.100 -5.218 -2.430) 8.387 34.647 ( 0.028 4.815 -0.159) 4.818 34.694 ( -2.026 5.907 -2.655) 6.786 34.868 ( 0.572 5.039 1.628) 5.326 34.972 ( 3.616 8.692 -5.126) 10.719 35.608 ( -0.399 -1.771 -0.162) 1.822 35.643 ( 0.284 -1.886 -1.139) 2.221 36.026 ( 0.722 -0.105 -0.044) 0.731 36.031 ( -2.211 -0.732 -0.113) 2.332 36.860 ( -3.007 1.205 4.949) 5.915 36.960 ( 0.681 5.880 0.492) 5.940 37.038 ( -0.204 4.284 -1.965) 4.717 37.240 ( 10.883 -2.467 -10.339) 15.212 37.610 ( -13.040 -2.478 3.008) 13.610 37.693 ( -3.045 0.714 2.250) 3.853 38.021 ( -9.485 14.467 2.201) 17.439 38.656 ( 52.869 24.957 -35.133) 68.208 ======================= Grid point 73 (31/76) ======================= q-point: ( 0.11 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 2.353 9.305 20.367) 22.515 1.276 ( 15.225 19.536 9.814) 26.641 1.339 ( 7.855 4.227 -8.049) 12.015 1.642 ( 6.761 12.976 -11.615) 18.681 2.124 ( 6.746 12.797 -0.705) 14.483 2.185 ( 13.298 6.954 5.656) 16.038 2.389 ( 10.052 -0.849 11.695) 15.444 2.509 ( 3.105 -9.125 1.694) 9.787 2.836 ( -1.438 -0.994 2.325) 2.909 2.937 ( 1.346 -1.458 -3.534) 4.053 2.955 ( 1.963 1.751 -0.210) 2.639 3.159 ( -1.011 5.937 -3.214) 6.826 3.215 ( 4.209 7.947 -1.394) 9.100 3.254 ( 0.240 -7.304 4.210) 8.434 3.362 ( -2.839 -1.710 0.559) 3.362 3.455 ( 1.789 0.733 -5.468) 5.799 3.484 ( 0.953 1.331 -3.673) 4.021 3.534 ( 0.674 -1.677 0.578) 1.897 3.600 ( -4.707 6.299 2.773) 8.338 3.677 ( -4.085 2.338 -8.906) 10.074 3.796 ( -3.037 4.072 -4.766) 6.966 3.877 ( 4.991 3.157 0.860) 5.968 3.936 ( -3.993 4.291 4.330) 7.287 4.028 ( 0.083 7.793 1.378) 7.915 4.045 ( -2.593 4.451 -2.137) 5.577 4.105 ( -5.106 4.314 1.489) 6.849 4.184 ( 2.832 -3.626 -0.664) 4.648 4.334 ( 4.768 0.467 -2.980) 5.642 4.496 ( 0.824 -0.659 3.983) 4.120 4.594 ( -3.050 1.329 2.823) 4.363 4.692 ( -1.706 5.787 -4.306) 7.412 4.795 ( 1.078 -1.618 -7.699) 7.941 5.062 ( -4.629 -2.541 7.404) 9.094 5.163 ( 1.194 -3.214 6.995) 7.790 5.278 ( -3.105 -2.706 2.392) 4.763 5.666 ( -0.684 -0.345 5.920) 5.969 5.687 ( 8.056 -6.591 -3.915) 11.121 5.823 ( 1.172 4.323 1.493) 4.721 5.932 ( 2.328 -1.443 -3.845) 4.721 5.957 ( -2.635 -0.457 -1.833) 3.242 6.007 ( -5.451 2.064 -0.493) 5.849 6.281 ( -0.345 -6.432 8.419) 10.601 6.380 ( 2.781 -0.785 -1.914) 3.466 6.489 ( -1.698 3.434 1.721) 4.200 6.538 ( 1.370 4.267 1.219) 4.645 6.618 ( -1.134 2.717 0.648) 3.015 6.636 ( 0.450 2.345 3.161) 3.961 6.640 ( -1.144 0.756 1.956) 2.389 6.659 ( -1.698 2.015 -0.130) 2.638 6.732 ( -2.494 4.997 1.803) 5.868 6.839 ( 0.276 5.967 -2.864) 6.625 6.885 ( 3.662 2.473 -2.954) 5.316 7.190 ( -1.182 3.168 0.487) 3.416 7.280 ( 0.313 2.834 0.227) 2.860 7.386 ( -1.109 0.081 -1.710) 2.039 7.437 ( -3.162 -1.230 0.079) 3.393 7.498 ( -3.544 2.473 -4.528) 6.259 7.588 ( -2.505 3.996 -2.784) 5.477 7.693 ( -2.259 2.892 -0.922) 3.784 7.740 ( 1.397 2.301 -3.391) 4.329 7.860 ( -0.554 2.561 2.469) 3.600 7.958 ( 1.538 3.309 3.252) 4.888 7.985 ( -2.979 -1.066 4.329) 5.362 8.101 ( -1.670 2.007 -0.759) 2.719 8.165 ( 0.502 -2.690 -3.658) 4.568 8.226 ( 2.220 -1.410 -0.367) 2.655 8.858 ( 1.195 -14.412 5.536) 15.485 8.936 ( -3.386 -15.518 -4.450) 16.494 9.297 ( -5.393 -1.788 2.145) 6.073 9.425 ( -0.973 -3.361 -0.431) 3.526 9.846 ( -11.560 -11.015 -3.293) 16.303 9.989 ( 1.177 -14.533 6.236) 15.858 12.532 ( 1.663 -0.452 1.645) 2.383 12.582 ( 1.366 0.347 -2.240) 2.646 12.789 ( 0.491 -0.117 1.251) 1.349 12.810 ( 0.472 -0.255 -0.799) 0.962 13.124 ( -1.066 -1.950 -1.054) 2.460 13.133 ( 0.290 -2.362 0.485) 2.429 13.376 ( -1.547 -4.598 -1.444) 5.061 13.444 ( 2.903 -7.260 1.010) 7.884 14.565 ( -1.872 12.026 -0.813) 12.198 14.584 ( 0.799 10.755 1.236) 10.855 14.642 ( -1.124 12.232 -0.678) 12.302 14.661 ( -0.835 15.084 -0.429) 15.113 14.927 ( 2.732 -1.190 1.162) 3.198 14.955 ( 4.072 0.082 0.834) 4.158 15.050 ( -1.822 -0.825 -1.687) 2.617 15.124 ( 4.411 -1.900 0.611) 4.842 18.278 ( -0.543 -2.560 0.098) 2.619 18.303 ( 0.731 -1.335 -0.144) 1.529 18.433 ( -1.452 -2.011 -0.319) 2.501 18.449 ( 0.018 -1.367 0.352) 1.412 18.521 ( -0.888 -9.767 1.005) 9.859 18.541 ( -1.113 -10.112 -0.833) 10.207 18.727 ( -3.077 -6.755 -0.552) 7.443 18.746 ( -1.421 -6.757 0.312) 6.912 20.673 ( -0.496 2.260 0.105) 2.316 20.694 ( 0.310 2.610 -0.160) 2.634 20.879 ( -0.156 -1.282 0.309) 1.328 20.899 ( 0.339 -0.716 -0.309) 0.851 21.158 ( 0.383 0.095 0.740) 0.839 21.177 ( 0.277 -0.138 -0.629) 0.701 21.216 ( -1.574 0.028 0.117) 1.579 21.253 ( 0.429 -0.359 0.450) 0.718 22.224 ( -5.203 -1.742 4.494) 7.092 22.369 ( -1.751 -1.664 0.843) 2.558 22.416 ( 0.250 -0.737 0.274) 0.825 22.504 ( 2.491 -4.761 -0.265) 5.380 24.053 ( -0.837 -0.042 -0.159) 0.853 24.078 ( -0.312 -0.717 0.785) 1.108 24.128 ( 1.083 0.264 -0.571) 1.253 24.133 ( 1.169 0.270 0.041) 1.200 27.042 ( -3.107 -3.878 -1.988) 5.352 27.118 ( -0.931 -2.229 0.210) 2.425 27.164 ( 1.607 -5.179 -1.319) 5.580 27.196 ( 4.847 -5.834 1.860) 7.810 27.459 ( -0.997 6.160 -0.110) 6.241 27.470 ( -0.914 8.053 1.460) 8.235 27.508 ( 1.080 7.488 0.032) 7.566 27.597 ( -0.232 7.130 -4.274) 8.317 33.733 ( -6.479 1.512 -1.677) 6.861 33.773 ( -3.237 0.646 1.417) 3.592 33.871 ( -0.651 0.258 -0.136) 0.713 33.914 ( -0.517 1.350 0.733) 1.621 33.923 ( 1.637 0.418 0.736) 1.843 33.935 ( -1.008 1.680 -1.591) 2.524 34.169 ( -7.146 -2.125 -4.062) 8.490 34.333 ( 6.626 -10.452 5.141) 13.401 34.620 ( -2.712 6.371 -1.622) 7.112 34.657 ( -0.075 4.361 0.438) 4.384 34.882 ( 0.288 5.458 -1.648) 5.709 34.992 ( 2.645 6.957 -1.771) 7.651 35.685 ( 8.505 -1.944 -0.818) 8.763 35.696 ( 6.844 -2.772 -0.360) 7.393 36.044 ( 2.507 -0.241 0.077) 2.519 36.089 ( 6.444 -0.978 1.068) 6.605 36.846 ( -2.738 1.668 3.533) 4.771 36.964 ( -0.695 5.455 0.616) 5.534 37.036 ( 0.921 11.734 -0.620) 11.787 37.226 ( -9.410 -1.335 -3.878) 10.265 37.377 ( -1.171 1.962 -8.474) 8.777 37.686 ( -3.275 1.428 3.794) 5.212 37.889 ( -6.008 15.112 -3.209) 16.577 39.121 ( 29.666 -10.718 -26.490) 41.190 ======================= Grid point 74 (32/76) ======================= q-point: ( 0.22 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 11.539 1.132 8.077) 14.130 1.475 ( 14.391 8.288 0.151) 16.608 1.531 ( 5.154 10.187 -18.131) 21.426 1.690 ( 15.725 12.804 4.307) 20.731 2.258 ( 7.034 -4.077 6.421) 10.361 2.333 ( 12.960 3.997 0.816) 13.587 2.554 ( 6.182 1.019 0.219) 6.269 2.788 ( -2.079 -4.740 0.653) 5.217 2.909 ( 7.234 4.602 -2.237) 8.861 2.937 ( 0.483 -2.146 0.299) 2.220 3.056 ( 2.373 7.338 0.863) 7.760 3.169 ( 6.916 1.856 3.508) 7.974 3.260 ( -1.226 -2.035 -3.666) 4.369 3.298 ( 4.973 6.345 8.185) 11.489 3.316 ( -3.143 -1.180 1.153) 3.550 3.435 ( 3.200 2.095 -6.245) 7.324 3.454 ( -0.720 -0.530 2.314) 2.481 3.478 ( -5.795 -1.809 1.326) 6.214 3.546 ( 2.107 3.162 1.085) 3.951 3.593 ( 2.641 2.818 -8.471) 9.310 3.690 ( -5.135 7.993 -3.766) 10.220 3.840 ( -6.269 -2.872 -3.899) 7.921 3.933 ( -0.289 2.869 -4.088) 5.002 3.968 ( -5.611 6.085 2.935) 8.782 4.030 ( 0.964 3.059 2.974) 4.374 4.138 ( 3.743 8.797 4.792) 10.694 4.201 ( 2.400 3.862 -2.365) 5.126 4.420 ( 0.904 2.317 -4.943) 5.534 4.456 ( -2.266 2.768 4.130) 5.464 4.589 ( 1.417 0.960 0.853) 1.912 4.734 ( -1.967 2.423 6.298) 7.029 4.752 ( 2.608 3.529 1.405) 4.608 5.039 ( -3.553 1.063 -1.379) 3.957 5.220 ( -0.769 -6.661 8.338) 10.700 5.277 ( 1.630 -7.056 1.460) 7.388 5.722 ( 1.215 -2.821 5.362) 6.179 5.767 ( 4.849 -3.822 -4.062) 7.391 5.789 ( -4.799 0.454 -0.853) 4.896 5.915 ( 0.172 5.324 -2.455) 5.865 5.952 ( 1.103 -2.280 -1.093) 2.759 6.000 ( 6.452 0.244 -2.311) 6.858 6.308 ( -3.796 -1.989 5.293) 6.810 6.346 ( -4.048 -0.670 -5.337) 6.732 6.452 ( -3.853 -0.742 1.575) 4.228 6.531 ( -2.398 1.094 -3.356) 4.267 6.573 ( 3.095 2.957 -1.150) 4.432 6.624 ( -0.433 1.947 0.603) 2.084 6.669 ( -0.237 3.216 2.911) 4.344 6.688 ( -1.526 4.275 3.446) 5.699 6.789 ( 4.915 1.355 4.825) 7.020 6.824 ( 1.315 6.011 -1.899) 6.440 6.930 ( 4.244 1.700 -3.536) 5.780 7.154 ( -3.081 0.427 -2.557) 4.027 7.257 ( -2.300 3.543 -0.145) 4.226 7.303 ( -5.393 -4.594 -1.939) 7.345 7.364 ( -3.524 3.309 -2.029) 5.242 7.411 ( -1.285 4.146 -4.614) 6.335 7.548 ( -0.950 1.612 -0.745) 2.014 7.622 ( -2.659 5.645 -0.027) 6.240 7.749 ( 0.800 2.425 0.863) 2.695 7.870 ( -3.970 2.034 1.142) 4.605 7.933 ( -2.762 3.571 1.095) 4.646 8.028 ( -3.989 0.513 -0.479) 4.050 8.063 ( 2.391 0.562 4.748) 5.345 8.122 ( -1.266 -0.511 -2.790) 3.106 8.275 ( 2.794 -1.664 2.198) 3.925 8.723 ( -12.814 -13.702 -3.052) 19.006 9.033 ( 5.502 -15.813 8.853) 18.939 9.274 ( -0.762 -3.802 3.405) 5.161 9.368 ( -5.330 -1.661 -1.131) 5.696 9.641 ( -8.323 -8.833 -3.523) 12.637 9.994 ( -3.904 -13.225 2.059) 13.942 12.567 ( 2.123 -1.291 -0.652) 2.569 12.616 ( 3.052 0.793 0.773) 3.247 12.799 ( -0.340 -0.518 -0.137) 0.635 12.819 ( 0.660 0.685 -0.010) 0.951 13.099 ( -0.337 -1.246 -0.807) 1.522 13.134 ( -0.398 -3.856 0.311) 3.889 13.344 ( -0.514 -4.143 -1.299) 4.372 13.486 ( 1.166 -7.307 0.166) 7.401 14.525 ( -2.088 9.578 -0.680) 9.826 14.598 ( -0.634 11.862 0.462) 11.888 14.617 ( -2.337 15.489 -1.150) 15.706 14.629 ( 0.414 11.759 0.067) 11.766 14.975 ( -0.952 2.240 -1.998) 3.149 15.022 ( 4.020 -2.073 0.947) 4.621 15.080 ( 6.732 -2.085 2.130) 7.362 15.188 ( 3.264 -4.062 -1.123) 5.330 18.277 ( 0.477 -1.773 0.416) 1.883 18.314 ( -0.113 0.452 0.172) 0.497 18.391 ( -1.985 -2.414 -0.845) 3.238 18.430 ( -1.314 -2.446 -1.055) 2.970 18.512 ( -1.875 -13.140 -0.607) 13.287 18.537 ( -0.120 -7.421 3.159) 8.066 18.655 ( -4.299 -6.417 -0.497) 7.740 18.695 ( -4.126 -7.817 -1.121) 8.910 20.669 ( -0.271 1.923 0.273) 1.961 20.697 ( 0.251 2.667 -0.231) 2.689 20.880 ( -0.051 -1.460 0.299) 1.491 20.904 ( 0.441 -0.476 -0.168) 0.670 21.166 ( 0.056 -0.268 -0.667) 0.721 21.177 ( 0.200 -0.203 0.202) 0.349 21.196 ( -0.873 0.509 0.611) 1.181 21.263 ( 0.154 -0.509 0.565) 0.776 22.189 ( -2.762 -0.062 2.769) 3.912 22.351 ( -1.382 -1.300 1.366) 2.338 22.424 ( 0.110 -1.357 0.565) 1.473 22.494 ( -2.097 -5.056 -2.775) 6.137 24.039 ( -0.423 0.178 -0.346) 0.574 24.077 ( -0.458 -0.595 0.789) 1.089 24.139 ( 0.745 -0.057 -0.849) 1.131 24.151 ( 0.820 0.240 0.059) 0.857 27.023 ( 2.159 -1.821 0.158) 2.829 27.099 ( -1.126 -2.149 -0.267) 2.440 27.151 ( -0.174 -2.865 -2.322) 3.692 27.282 ( 3.021 -5.453 0.983) 6.311 27.447 ( -0.381 5.485 0.207) 5.502 27.464 ( -1.065 9.127 1.171) 9.263 27.523 ( 0.385 6.744 -1.216) 6.864 27.571 ( 0.916 8.162 -0.775) 8.250 33.610 ( -6.525 1.143 -0.782) 6.670 33.685 ( -6.217 1.518 0.221) 6.403 33.880 ( -0.010 0.571 0.385) 0.689 33.907 ( -0.593 0.160 0.260) 0.667 33.912 ( -0.171 0.740 -1.396) 1.589 33.944 ( 0.053 1.655 0.919) 1.893 34.039 ( -3.712 -1.572 -2.174) 4.580 34.443 ( 1.081 -12.420 0.864) 12.497 34.587 ( -0.025 4.295 1.372) 4.509 34.687 ( 2.143 3.699 3.028) 5.239 34.853 ( 0.075 5.864 -4.778) 7.565 35.049 ( 5.083 8.117 0.637) 9.598 35.787 ( 5.562 -3.021 -3.862) 7.414 35.857 ( 10.390 -3.691 0.080) 11.027 36.118 ( 4.898 -0.909 2.104) 5.407 36.236 ( 7.190 -3.855 2.213) 8.453 36.827 ( -2.342 2.837 1.735) 4.067 36.963 ( 0.506 5.871 0.802) 5.947 37.056 ( -2.709 8.229 -0.449) 8.675 37.099 ( 2.391 16.174 8.674) 18.508 37.322 ( 4.233 -2.318 -15.810) 16.530 37.643 ( -5.335 2.797 2.951) 6.707 37.761 ( -5.917 11.566 -2.466) 13.223 39.243 ( 10.718 -18.392 -18.883) 28.455 ======================= Grid point 75 (33/76) ======================= q-point: ( 0.33 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 12.908 2.588 -10.384) 16.768 1.548 ( 16.357 0.147 3.826) 16.800 1.746 ( 8.979 6.038 4.001) 11.536 1.930 ( 10.548 6.979 -0.200) 12.649 2.341 ( 1.536 -13.721 4.468) 14.512 2.598 ( 4.798 3.492 2.345) 6.381 2.715 ( 8.606 7.973 3.088) 12.131 2.769 ( 1.981 3.601 3.230) 5.227 2.877 ( -0.748 -4.166 -5.201) 6.705 2.913 ( -3.872 5.114 -4.231) 7.684 3.047 ( 2.465 9.202 -5.569) 11.035 3.174 ( 0.298 8.595 -0.661) 8.625 3.221 ( -3.694 2.865 2.498) 5.300 3.264 ( 1.312 1.300 -0.659) 1.961 3.366 ( -3.206 -6.255 6.453) 9.542 3.424 ( 0.049 -3.519 -0.557) 3.563 3.461 ( 2.285 -2.267 0.612) 3.276 3.501 ( 2.244 3.068 -9.395) 10.135 3.524 ( -1.101 3.878 -7.547) 8.556 3.548 ( -4.804 8.913 -4.238) 10.976 3.731 ( -1.072 -2.111 -3.209) 3.988 3.793 ( 3.221 -0.171 11.638) 12.077 3.882 ( 0.903 4.104 0.500) 4.232 3.963 ( 0.237 6.439 3.466) 7.316 4.060 ( 2.809 1.922 -2.351) 4.136 4.184 ( -1.334 0.064 -0.340) 1.378 4.280 ( 2.174 8.520 -2.342) 9.100 4.309 ( 0.762 9.650 1.591) 9.810 4.544 ( 1.168 5.438 2.126) 5.954 4.599 ( 1.635 1.347 2.009) 2.919 4.703 ( -5.639 0.276 3.892) 6.858 4.838 ( -1.293 6.044 2.034) 6.507 5.004 ( 2.612 -3.126 4.335) 5.949 5.268 ( 0.124 -8.449 0.346) 8.457 5.326 ( 0.225 -1.148 4.951) 5.087 5.714 ( -2.797 -0.636 -0.028) 2.868 5.773 ( 1.399 -3.474 -4.311) 5.710 5.788 ( 0.537 -2.146 4.372) 4.900 5.892 ( 2.345 -1.853 -10.060) 10.494 5.953 ( -0.262 -2.520 0.661) 2.618 6.101 ( 2.657 4.254 2.992) 5.840 6.227 ( -0.664 1.068 -3.535) 3.752 6.282 ( -5.651 -0.513 4.644) 7.332 6.410 ( 0.653 -3.133 -2.976) 4.370 6.501 ( -0.051 -0.374 -0.387) 0.540 6.616 ( 1.384 4.029 -2.122) 4.759 6.619 ( 2.380 1.151 -0.810) 2.765 6.672 ( -1.022 3.167 1.125) 3.512 6.724 ( 2.944 3.311 3.841) 5.863 6.851 ( 1.281 3.708 2.500) 4.652 6.885 ( 3.545 1.287 -3.481) 5.132 6.973 ( 4.778 2.650 -2.422) 5.977 7.047 ( -2.225 0.236 -5.129) 5.595 7.221 ( -2.765 0.650 1.320) 3.132 7.257 ( -5.391 3.091 -0.394) 6.226 7.275 ( -1.115 1.106 2.818) 3.227 7.384 ( 0.020 1.211 0.670) 1.384 7.522 ( -0.952 4.166 -0.782) 4.344 7.631 ( 0.708 2.951 3.013) 4.277 7.724 ( -7.910 0.223 -0.939) 7.969 7.772 ( -1.900 3.000 0.688) 3.616 7.878 ( -4.331 3.284 -2.080) 5.820 7.941 ( -3.424 2.007 -1.452) 4.226 8.060 ( -2.508 4.450 -1.282) 5.267 8.210 ( 6.891 -0.841 4.462) 8.252 8.345 ( 1.550 -3.780 3.543) 5.408 8.483 ( -11.555 -9.055 -1.409) 14.748 9.088 ( -8.395 -13.151 0.389) 15.607 9.272 ( -0.003 -4.898 -1.122) 5.025 9.308 ( -0.156 -4.147 2.614) 4.905 9.512 ( -4.626 -8.513 -0.331) 9.694 9.932 ( -3.204 -11.929 -1.297) 12.420 12.605 ( 2.982 -1.461 -0.739) 3.402 12.672 ( 2.093 -0.446 1.514) 2.621 12.782 ( -0.741 0.282 -1.584) 1.771 12.817 ( -0.758 0.510 0.313) 0.966 13.105 ( 1.057 -1.281 0.343) 1.696 13.132 ( -0.200 -2.741 0.342) 2.770 13.339 ( 0.480 -5.151 0.106) 5.174 13.487 ( -0.313 -7.130 -1.008) 7.207 14.489 ( -1.325 7.140 -0.251) 7.266 14.558 ( -2.292 16.329 -0.892) 16.513 14.602 ( 0.055 10.388 0.541) 10.402 14.650 ( 0.956 12.948 0.502) 12.993 14.936 ( -0.393 3.316 -1.628) 3.715 15.092 ( 2.810 -0.681 0.072) 2.892 15.196 ( 3.055 -5.241 -0.109) 6.068 15.238 ( 4.787 -3.758 0.454) 6.103 18.280 ( -1.002 -1.706 -0.866) 2.160 18.319 ( 1.135 1.500 1.481) 2.394 18.366 ( -0.288 -0.720 -0.594) 0.977 18.396 ( -1.540 -2.671 -1.080) 3.267 18.479 ( -1.116 -12.441 0.228) 12.493 18.555 ( -1.031 -8.943 2.038) 9.230 18.577 ( -4.374 -7.033 -0.378) 8.291 18.605 ( -4.339 -8.642 -1.581) 9.798 20.668 ( -0.166 1.752 0.289) 1.783 20.698 ( 0.185 2.636 -0.466) 2.684 20.882 ( -0.028 -1.544 0.394) 1.593 20.910 ( 0.357 -0.380 -0.180) 0.551 21.155 ( -0.178 0.030 -0.965) 0.982 21.177 ( -0.508 -0.445 0.768) 1.023 21.200 ( 0.322 0.420 0.257) 0.588 21.266 ( -0.208 -0.488 0.164) 0.555 22.173 ( -1.556 0.296 1.753) 2.362 22.342 ( -1.105 -2.309 0.050) 2.560 22.403 ( -1.735 -2.187 -3.046) 4.132 22.440 ( -0.760 -1.097 0.477) 1.417 24.033 ( -0.085 0.136 -0.193) 0.250 24.077 ( -0.273 -0.580 0.400) 0.756 24.138 ( 0.349 0.410 -0.732) 0.909 24.164 ( 0.542 0.351 0.243) 0.690 27.080 ( -0.649 -1.758 -0.530) 1.948 27.086 ( 2.449 -1.858 1.688) 3.507 27.134 ( 0.549 -3.147 -0.756) 3.283 27.319 ( 1.205 -3.388 -0.223) 3.603 27.444 ( -0.425 5.411 0.008) 5.428 27.461 ( -0.153 6.841 0.552) 6.865 27.506 ( -0.339 7.570 -0.832) 7.623 27.604 ( 1.634 8.948 0.883) 9.138 33.508 ( -4.814 0.421 -0.049) 4.833 33.597 ( -4.303 3.142 0.266) 5.335 33.859 ( -1.612 -0.297 -0.946) 1.892 33.888 ( -0.610 0.862 -0.493) 1.166 33.908 ( 0.443 -0.043 0.173) 0.477 33.968 ( 0.828 -0.178 1.782) 1.973 34.003 ( -1.116 -2.567 0.922) 2.947 34.421 ( -0.881 -9.272 -2.693) 9.695 34.604 ( 0.061 1.087 0.848) 1.379 34.781 ( 3.824 1.848 5.667) 7.082 34.800 ( -0.948 5.710 -5.626) 8.072 35.164 ( 5.921 9.264 1.128) 11.052 35.824 ( 3.177 -1.740 -2.126) 4.200 36.023 ( 8.576 -5.691 0.399) 10.300 36.204 ( 2.919 -2.874 0.117) 4.098 36.323 ( 2.108 -3.558 0.549) 4.172 36.808 ( -1.126 4.606 0.630) 4.784 36.979 ( -0.096 7.961 1.593) 8.119 37.042 ( 1.568 13.711 -0.678) 13.817 37.216 ( 0.944 -3.001 -12.142) 12.543 37.378 ( 9.493 6.338 16.901) 20.394 37.564 ( -5.638 2.781 1.153) 6.391 37.668 ( -3.372 9.260 2.537) 10.176 39.215 ( 4.872 -19.048 -15.480) 25.024 ======================= Grid point 76 (34/76) ======================= q-point: ( 0.44 0.17 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 10.289 1.105 -1.743) 10.494 1.749 ( -6.945 -2.976 0.763) 7.594 1.894 ( 17.272 -0.331 2.057) 17.397 2.107 ( 8.542 5.587 2.414) 10.489 2.322 ( -7.688 -9.878 1.682) 12.629 2.612 ( -0.220 1.416 -3.976) 4.226 2.715 ( -9.566 1.313 -5.554) 11.139 2.772 ( 0.884 14.281 -0.402) 14.314 2.886 ( -0.259 1.652 3.702) 4.063 2.908 ( 5.686 1.435 2.905) 6.544 3.008 ( 1.650 1.108 -4.535) 4.951 3.202 ( -4.455 1.522 -4.185) 6.299 3.242 ( -0.321 7.484 2.078) 7.773 3.300 ( 5.246 13.056 4.590) 14.800 3.336 ( -5.415 1.072 0.539) 5.546 3.399 ( 5.117 4.829 -5.103) 8.692 3.419 ( -0.934 -2.529 -7.112) 7.606 3.470 ( -0.745 -7.196 2.320) 7.597 3.502 ( 1.447 -1.574 2.272) 3.120 3.567 ( 2.735 2.585 2.752) 4.662 3.719 ( 0.056 3.055 -0.692) 3.133 3.851 ( -1.519 1.469 5.185) 5.599 3.915 ( 0.633 3.588 1.144) 3.818 4.023 ( 6.491 9.247 0.063) 11.298 4.110 ( 3.352 1.539 -0.593) 3.736 4.127 ( -0.201 -3.965 -3.584) 5.349 4.262 ( 0.030 9.685 -0.090) 9.686 4.391 ( 2.965 8.588 0.287) 9.090 4.514 ( -3.944 4.648 -4.722) 7.711 4.591 ( -2.172 6.760 -3.971) 8.135 4.709 ( -0.797 -1.716 12.420) 12.563 4.805 ( -1.909 2.644 1.391) 3.545 5.058 ( -5.057 -5.788 3.901) 8.620 5.260 ( -0.143 -5.206 -1.013) 5.305 5.320 ( -3.646 2.579 -0.141) 4.468 5.691 ( -0.524 0.119 0.303) 0.617 5.745 ( -1.425 0.423 -2.682) 3.067 5.803 ( 2.279 -8.066 -10.105) 13.129 5.862 ( 2.835 -3.177 3.387) 5.441 5.980 ( 2.340 -2.404 2.085) 3.950 6.124 ( -1.346 1.170 0.945) 2.018 6.200 ( -4.298 2.441 -1.737) 5.240 6.243 ( -0.261 1.268 2.994) 3.262 6.429 ( 3.133 -2.075 -2.649) 4.597 6.500 ( -0.472 0.300 0.654) 0.860 6.610 ( -0.101 3.560 -1.387) 3.822 6.654 ( 1.631 2.973 -0.599) 3.444 6.683 ( 0.981 3.625 1.219) 3.948 6.828 ( 3.378 -1.535 0.523) 3.748 6.899 ( 7.185 -2.450 -0.652) 7.619 6.944 ( 4.604 4.936 1.822) 6.991 6.993 ( -0.417 1.516 -1.706) 2.320 7.029 ( -0.352 3.103 0.910) 3.252 7.108 ( -5.201 3.583 -3.559) 7.250 7.267 ( -0.285 -1.064 6.761) 6.850 7.306 ( 2.588 3.649 5.547) 7.126 7.426 ( 1.787 -0.324 4.522) 4.873 7.481 ( -5.194 0.113 1.663) 5.455 7.588 ( -2.676 6.644 -0.084) 7.163 7.710 ( -3.888 0.833 -3.506) 5.301 7.725 ( 3.950 1.804 1.829) 4.712 7.798 ( -2.239 0.879 -0.024) 2.405 7.900 ( -0.191 4.135 -0.222) 4.146 7.999 ( -1.915 7.111 -3.676) 8.230 8.282 ( -3.762 -4.356 -2.708) 6.360 8.333 ( -0.737 -1.272 -2.024) 2.501 8.408 ( -1.707 -6.054 5.921) 8.638 8.871 ( -6.514 -10.370 -8.918) 15.149 9.286 ( 0.441 -7.853 -0.900) 7.917 9.297 ( -1.961 -3.716 -0.655) 4.253 9.498 ( 0.442 -8.826 5.290) 10.300 9.870 ( -1.605 -11.434 -3.728) 12.133 12.646 ( 2.221 -1.566 -0.309) 2.735 12.698 ( -1.021 -2.255 0.248) 2.487 12.767 ( 1.427 0.965 -0.196) 1.734 12.809 ( -0.843 0.624 0.614) 1.215 13.122 ( 0.200 -1.095 0.134) 1.121 13.128 ( -0.398 -1.380 -0.207) 1.451 13.358 ( 0.618 -5.819 1.690) 6.091 13.472 ( 0.074 -7.012 -1.308) 7.133 14.481 ( -0.055 7.468 0.985) 7.533 14.529 ( -0.372 15.998 -0.415) 16.008 14.605 ( -0.289 10.211 0.348) 10.221 14.656 ( -0.247 13.068 -0.650) 13.087 14.948 ( 1.738 2.919 1.696) 3.797 15.116 ( 0.563 0.461 -0.933) 1.183 15.220 ( 1.610 -7.498 -0.666) 7.698 15.298 ( 0.763 -3.340 -0.535) 3.467 18.262 ( 0.219 -2.440 0.099) 2.452 18.350 ( -2.552 -0.565 -1.311) 2.924 18.358 ( 1.372 1.611 1.157) 2.411 18.371 ( 1.231 1.676 -0.812) 2.233 18.472 ( -0.772 -11.653 -0.750) 11.702 18.510 ( -1.739 -8.723 1.781) 9.071 18.539 ( -2.257 -10.047 -1.164) 10.363 18.553 ( -0.323 -10.083 0.414) 10.097 20.668 ( -0.155 1.741 0.309) 1.775 20.696 ( 0.174 2.518 -0.634) 2.603 20.886 ( -0.079 -1.537 0.529) 1.627 20.912 ( 0.174 -0.417 -0.289) 0.536 21.148 ( 0.084 0.171 -0.322) 0.374 21.179 ( -0.084 -0.561 0.731) 0.926 21.202 ( 0.014 0.411 -0.219) 0.466 21.258 ( -0.448 -0.342 -0.489) 0.746 22.164 ( -1.095 0.380 1.225) 1.686 22.294 ( -1.122 -1.860 -4.007) 4.558 22.400 ( 1.409 -1.063 1.310) 2.198 22.435 ( -0.746 -1.159 0.675) 1.535 24.033 ( 0.203 0.023 0.104) 0.229 24.070 ( -0.528 -0.551 -0.544) 0.937 24.146 ( 0.732 0.616 0.396) 1.035 24.171 ( -0.005 0.350 0.142) 0.378 27.072 ( 0.178 -1.478 -0.253) 1.510 27.098 ( -0.310 -1.321 -0.703) 1.528 27.170 ( 1.271 -3.765 2.797) 4.860 27.323 ( 0.117 -2.462 -1.235) 2.757 27.435 ( -0.231 6.043 -0.289) 6.054 27.454 ( -0.550 5.105 -0.774) 5.192 27.515 ( 0.936 7.739 1.614) 7.960 27.619 ( -0.210 8.665 -0.402) 8.677 33.455 ( -1.473 0.482 0.689) 1.696 33.539 ( -2.171 3.645 -0.947) 4.347 33.845 ( 0.317 -0.602 0.752) 1.014 33.886 ( 0.169 0.848 0.521) 1.010 33.913 ( 0.051 -0.092 -0.236) 0.259 33.979 ( -0.678 1.455 -0.818) 1.802 34.012 ( -0.087 -6.190 4.660) 7.749 34.386 ( 0.157 -10.273 -4.012) 11.030 34.607 ( -0.162 1.230 0.379) 1.298 34.732 ( -1.394 4.035 -4.940) 6.529 34.898 ( 3.317 3.606 6.483) 8.126 35.212 ( 0.158 9.033 -3.038) 9.532 35.891 ( 4.147 -1.717 3.599) 5.753 36.129 ( 1.669 -8.370 0.647) 8.559 36.225 ( 2.708 -1.474 -2.290) 3.841 36.331 ( -1.414 -2.761 -0.495) 3.141 36.799 ( -0.321 5.335 0.491) 5.368 36.976 ( -1.594 7.439 -0.783) 7.648 37.064 ( 1.071 13.982 -1.772) 14.135 37.127 ( 1.030 4.415 -8.828) 9.924 37.496 ( -2.760 1.446 0.853) 3.230 37.505 ( -1.672 2.192 1.546) 3.161 37.839 ( 4.177 1.090 26.512) 26.862 39.159 ( 4.818 -18.404 -15.688) 24.658 ======================= Grid point 77 (35/76) ======================= q-point: (-0.44 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -18.092 -2.833 -2.129) 18.436 1.831 ( 7.042 -2.363 -0.612) 7.454 2.128 ( -7.563 3.985 6.325) 10.634 2.164 ( -1.529 3.425 5.798) 6.905 2.244 ( 1.327 -6.978 3.033) 7.723 2.436 ( -10.296 -0.626 -11.600) 15.523 2.582 ( 0.446 3.091 -1.233) 3.357 2.788 ( 3.947 13.779 -5.635) 15.401 2.908 ( -2.384 2.866 7.043) 7.969 3.020 ( 4.173 -1.860 -1.096) 4.698 3.064 ( 4.855 -0.121 -1.780) 5.173 3.085 ( -3.634 8.472 -2.806) 9.636 3.146 ( -3.502 4.780 -0.947) 6.001 3.331 ( 0.620 2.278 -6.584) 6.995 3.358 ( -1.769 11.803 0.848) 11.965 3.392 ( -2.410 -8.917 3.547) 9.894 3.417 ( 1.507 5.602 -1.488) 5.988 3.507 ( 4.485 -5.517 3.211) 7.802 3.569 ( 0.115 -0.692 3.072) 3.151 3.630 ( 2.307 0.199 1.167) 2.593 3.685 ( -2.827 4.345 3.321) 6.156 3.825 ( -1.566 5.230 -3.361) 6.411 3.920 ( -1.986 1.389 2.815) 3.714 4.095 ( -1.261 0.628 -0.581) 1.524 4.166 ( 2.796 3.610 -0.026) 4.566 4.192 ( 8.474 6.991 0.219) 10.987 4.294 ( 4.647 6.579 -1.254) 8.152 4.334 ( -9.781 5.548 -3.431) 11.757 4.423 ( 3.386 4.791 -5.011) 7.716 4.553 ( 2.088 9.297 -6.205) 11.371 4.790 ( -0.931 0.735 8.434) 8.517 4.829 ( -5.355 -0.192 17.791) 18.581 4.957 ( -4.893 -8.075 -0.646) 9.463 5.202 ( -6.155 1.373 -4.297) 7.631 5.238 ( -1.495 -1.969 -1.831) 3.076 5.685 ( -0.680 -0.267 -0.644) 0.974 5.714 ( 1.908 -2.477 -1.805) 3.610 5.771 ( 2.561 -4.041 -7.323) 8.747 5.965 ( -1.177 1.078 1.760) 2.376 6.024 ( 2.162 -0.109 2.345) 3.191 6.107 ( 3.563 -0.293 2.149) 4.171 6.146 ( 0.018 -2.371 -2.871) 3.723 6.268 ( -0.357 1.155 3.114) 3.341 6.445 ( 1.612 -1.105 -2.022) 2.812 6.496 ( -0.734 1.166 -0.099) 1.382 6.586 ( -0.200 4.250 -3.441) 5.472 6.656 ( -0.822 1.145 1.164) 1.828 6.684 ( -2.732 2.059 -0.315) 3.436 6.815 ( -5.443 -1.998 0.306) 5.806 6.886 ( -8.023 2.227 -0.911) 8.376 6.978 ( -2.175 2.094 2.831) 4.139 7.027 ( 3.610 3.502 -1.583) 5.273 7.071 ( 4.771 2.498 1.048) 5.487 7.091 ( 5.079 2.140 -1.301) 5.663 7.354 ( 1.201 -1.832 6.186) 6.562 7.423 ( -0.883 0.323 2.780) 2.935 7.458 ( 3.947 0.047 8.801) 9.646 7.508 ( 3.630 2.966 2.461) 5.295 7.548 ( -2.236 3.941 0.358) 4.546 7.685 ( 3.065 1.900 0.682) 3.670 7.722 ( 0.401 -1.043 -2.206) 2.473 7.863 ( 3.479 4.798 0.383) 5.939 7.904 ( 0.542 6.895 -1.041) 6.994 7.948 ( 0.172 5.325 -5.799) 7.875 8.169 ( -5.175 -3.489 -2.474) 6.714 8.279 ( 4.585 -3.315 -3.394) 6.598 8.418 ( -2.533 -7.159 6.134) 9.762 8.796 ( 4.011 -10.661 -9.967) 15.136 9.255 ( -1.703 -4.695 -0.560) 5.026 9.283 ( 0.945 -4.927 -0.211) 5.021 9.591 ( 3.201 -8.901 7.221) 11.900 9.811 ( -0.190 -11.302 -6.186) 12.886 12.653 ( -2.714 -2.021 -0.476) 3.417 12.679 ( 1.050 -1.209 0.374) 1.645 12.789 ( -1.584 0.395 -0.297) 1.660 12.813 ( 2.122 0.919 0.755) 2.432 13.116 ( -0.442 -1.064 0.046) 1.153 13.121 ( -0.029 -1.713 -0.163) 1.721 13.382 ( 0.098 -5.599 2.291) 6.050 13.465 ( 0.349 -6.958 -1.867) 7.212 14.497 ( 0.614 10.091 1.139) 10.173 14.535 ( 1.172 14.732 -0.526) 14.788 14.607 ( 0.276 10.840 0.849) 10.877 14.636 ( -0.812 11.994 -1.191) 12.080 15.006 ( 1.671 1.748 3.437) 4.203 15.088 ( -2.159 -0.562 -2.725) 3.522 15.234 ( -2.497 -4.485 -0.259) 5.140 15.264 ( -0.727 -5.278 -0.876) 5.400 18.291 ( 1.705 -2.101 1.039) 2.898 18.296 ( -1.717 -1.024 -1.209) 2.336 18.367 ( -0.478 2.321 -0.333) 2.393 18.392 ( 1.542 2.394 -0.561) 2.902 18.464 ( 1.050 -12.459 1.433) 12.585 18.489 ( -1.721 -9.768 -1.632) 10.052 18.543 ( 2.279 -9.298 0.887) 9.615 18.573 ( 2.609 -10.115 -0.206) 10.449 20.668 ( -0.172 1.842 0.366) 1.885 20.693 ( 0.156 2.390 -0.687) 2.492 20.888 ( -0.197 -1.427 0.609) 1.564 20.911 ( 0.012 -0.586 -0.371) 0.694 21.152 ( 0.330 0.226 0.270) 0.483 21.176 ( -0.407 -0.339 -0.901) 1.046 21.207 ( 0.295 0.192 1.303) 1.350 21.245 ( -0.285 -0.222 -0.978) 1.042 22.158 ( -0.942 0.443 1.297) 1.663 22.259 ( 0.623 -0.886 -3.063) 3.249 22.424 ( -0.793 -1.093 0.132) 1.357 22.448 ( 2.451 -1.866 0.851) 3.196 24.041 ( 0.414 -0.089 0.458) 0.624 24.054 ( -0.421 -0.383 -0.809) 0.989 24.163 ( 0.438 0.373 0.596) 0.828 24.166 ( -0.456 0.411 -0.147) 0.632 27.077 ( -1.246 -1.621 -0.607) 2.133 27.080 ( 0.540 -1.361 0.178) 1.475 27.212 ( 0.592 -3.066 3.282) 4.530 27.302 ( -0.837 -3.050 -2.299) 3.910 27.434 ( 0.171 6.037 -0.080) 6.040 27.438 ( -0.392 5.574 -0.563) 5.616 27.553 ( 1.148 7.246 2.159) 7.648 27.596 ( -1.172 8.334 -1.326) 8.520 33.472 ( 2.200 1.312 1.333) 2.887 33.516 ( 1.207 2.622 -1.549) 3.276 33.869 ( 0.998 -0.113 0.928) 1.368 33.887 ( -0.368 -0.116 -0.740) 0.834 33.922 ( 1.046 1.639 1.109) 2.238 33.948 ( -1.323 1.542 -1.402) 2.469 34.072 ( 0.841 -7.292 7.224) 10.299 34.347 ( 0.492 -12.563 -6.703) 14.248 34.607 ( -0.524 2.524 1.041) 2.780 34.672 ( -1.246 3.405 -3.071) 4.752 34.998 ( 1.564 5.562 6.348) 8.584 35.138 ( -3.764 7.733 -4.618) 9.762 36.003 ( 3.005 -3.656 6.068) 7.695 36.075 ( -5.152 -6.472 -2.689) 8.698 36.248 ( -4.738 -1.920 -1.497) 5.327 36.285 ( 1.460 -2.781 -0.865) 3.258 36.812 ( 0.696 5.646 1.940) 6.011 36.911 ( -2.088 3.946 -4.408) 6.274 37.050 ( -0.598 13.503 -1.299) 13.578 37.077 ( -1.914 13.306 -2.731) 13.718 37.466 ( -0.718 0.261 0.743) 1.066 37.550 ( 5.836 3.282 0.623) 6.724 38.095 ( -2.818 -6.088 27.733) 28.533 39.101 ( 6.473 -17.419 -20.140) 27.404 ======================= Grid point 78 (36/76) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -22.418 -3.060 0.974) 22.647 1.787 ( -16.652 4.343 -7.328) 18.704 1.909 ( -15.937 6.018 -1.159) 17.075 2.026 ( -4.509 -5.858 2.654) 7.854 2.329 ( -2.112 0.474 2.819) 3.554 2.357 ( 2.067 -1.452 4.785) 5.411 2.621 ( 2.381 -1.514 5.355) 6.053 2.772 ( -5.267 4.096 1.260) 6.790 2.894 ( -9.213 7.715 -3.828) 12.611 2.925 ( -6.230 7.429 -5.228) 11.015 3.016 ( -4.777 14.042 -6.018) 16.007 3.113 ( 2.457 2.112 4.106) 5.231 3.179 ( 6.025 -1.488 -2.983) 6.886 3.230 ( -1.076 3.665 -5.292) 6.526 3.321 ( -2.783 -4.860 0.689) 5.643 3.355 ( -0.354 7.165 -1.372) 7.304 3.454 ( 3.336 4.165 0.733) 5.386 3.538 ( -1.433 0.662 3.254) 3.617 3.616 ( 2.889 -2.995 0.147) 4.164 3.666 ( 0.304 -1.375 1.248) 1.882 3.726 ( 2.123 1.910 2.581) 3.849 3.823 ( 1.380 8.053 -0.288) 8.176 3.898 ( 1.750 8.015 0.843) 8.247 4.085 ( -1.353 0.896 0.216) 1.637 4.103 ( -6.655 5.535 -2.695) 9.066 4.198 ( 0.153 -0.736 -3.603) 3.680 4.290 ( 2.269 0.013 -2.859) 3.650 4.333 ( 2.573 3.047 -6.690) 7.789 4.468 ( 5.470 3.853 0.406) 6.703 4.616 ( 7.590 10.107 4.628) 13.461 4.830 ( -10.085 -2.740 15.732) 18.887 4.869 ( -3.029 0.887 13.169) 13.542 4.960 ( 4.290 -3.278 -1.174) 5.525 5.031 ( -8.618 0.557 -4.080) 9.551 5.232 ( 0.351 -2.786 0.108) 2.810 5.659 ( -2.222 0.121 0.883) 2.394 5.745 ( 1.007 2.065 -3.076) 3.840 5.763 ( 4.426 -6.620 -5.935) 9.932 5.876 ( -3.526 -0.101 -0.272) 3.538 6.110 ( 1.276 -0.094 2.863) 3.136 6.120 ( 0.125 -3.962 -2.685) 4.788 6.226 ( -1.757 -3.287 4.403) 5.768 6.259 ( 2.621 1.448 -3.399) 4.530 6.463 ( 0.784 -1.615 -2.727) 3.265 6.467 ( 1.490 0.266 0.029) 1.514 6.563 ( 0.013 5.880 -1.289) 6.019 6.627 ( -1.582 2.126 -0.425) 2.684 6.665 ( 0.198 2.050 1.640) 2.633 6.690 ( -7.663 2.051 1.670) 8.107 6.746 ( -6.517 3.141 -1.699) 7.431 6.938 ( -3.192 5.100 0.598) 6.046 7.049 ( -0.247 3.288 -0.185) 3.302 7.139 ( 0.437 -3.006 -1.482) 3.379 7.180 ( 8.096 3.295 -1.344) 8.843 7.337 ( -4.187 -1.148 1.639) 4.641 7.444 ( -0.068 1.232 -0.646) 1.393 7.486 ( -0.688 0.106 -3.962) 4.023 7.593 ( 3.607 1.983 2.554) 4.844 7.633 ( 5.002 1.450 5.486) 7.564 7.714 ( 1.934 4.112 1.639) 4.831 7.747 ( 0.038 3.933 -3.375) 5.183 7.858 ( 2.391 0.450 -3.088) 3.931 7.911 ( -0.043 5.996 -1.383) 6.153 7.949 ( 6.162 2.794 -0.036) 6.766 8.219 ( 5.904 -3.655 6.018) 9.188 8.298 ( -2.972 0.861 -0.327) 3.112 8.620 ( 17.706 -10.894 11.843) 23.925 8.736 ( -0.256 -10.694 -10.777) 15.185 9.235 ( -0.903 -6.488 0.766) 6.595 9.329 ( 3.632 -3.439 0.550) 5.032 9.714 ( 3.919 -8.715 6.713) 11.678 9.758 ( 1.416 -11.299 -8.082) 13.963 12.597 ( -3.202 -1.336 -0.530) 3.510 12.694 ( -0.833 0.278 1.929) 2.120 12.755 ( -0.709 -1.102 -1.811) 2.235 12.836 ( 0.212 0.551 -0.060) 0.593 13.121 ( 0.590 -0.924 0.795) 1.354 13.124 ( 0.157 -1.669 -0.032) 1.676 13.402 ( 0.003 -5.585 2.165) 5.990 13.440 ( -0.742 -7.152 -3.087) 7.825 14.521 ( 1.355 13.025 0.791) 13.119 14.543 ( 0.699 11.062 -1.872) 11.241 14.625 ( 0.559 11.907 -0.137) 11.921 14.631 ( 0.930 12.223 1.208) 12.317 14.996 ( -4.078 -0.654 -3.468) 5.393 15.053 ( -0.207 1.567 1.911) 2.480 15.140 ( -5.191 -4.315 -0.108) 6.751 15.259 ( -2.047 -4.492 0.355) 4.950 18.265 ( -0.390 -1.994 -0.444) 2.080 18.328 ( -0.160 1.319 0.708) 1.505 18.368 ( 2.151 -2.098 0.120) 3.007 18.404 ( 0.629 0.710 -1.737) 1.979 18.467 ( 0.638 -10.623 -0.027) 10.642 18.510 ( 1.778 -11.107 1.513) 11.350 18.601 ( 4.020 -8.357 0.320) 9.279 18.624 ( 3.768 -7.847 -1.250) 8.794 20.669 ( -0.110 2.035 0.450) 2.087 20.690 ( 0.141 2.325 -0.617) 2.409 20.889 ( -0.360 -1.222 0.538) 1.383 20.907 ( -0.035 -0.859 -0.322) 0.918 21.157 ( -0.597 0.119 -0.963) 1.139 21.162 ( 0.393 0.170 0.538) 0.687 21.228 ( 0.412 -0.232 1.676) 1.742 21.234 ( 0.129 -0.157 -1.044) 1.064 22.158 ( -0.777 0.371 2.407) 2.556 22.258 ( 1.940 -0.714 -2.217) 3.031 22.411 ( -0.457 -0.753 -0.424) 0.978 22.488 ( 1.768 -2.421 -0.609) 3.059 24.044 ( 0.019 -0.311 -0.697) 0.764 24.054 ( 0.451 -0.216 0.765) 0.914 24.150 ( -0.797 0.553 -0.569) 1.125 24.170 ( -0.278 0.229 0.229) 0.427 27.053 ( -0.868 -2.122 0.297) 2.311 27.092 ( 0.444 -1.291 0.138) 1.372 27.245 ( -0.303 -3.817 2.401) 4.520 27.254 ( -1.941 -4.061 -2.655) 5.226 27.432 ( 0.226 6.702 -0.036) 6.706 27.442 ( 0.465 5.484 0.294) 5.512 27.548 ( -1.513 7.888 -0.887) 8.081 27.607 ( 1.716 7.679 1.298) 7.975 33.537 ( 4.569 1.709 -0.171) 4.882 33.569 ( 5.474 1.979 0.338) 5.830 33.865 ( -0.548 -0.071 -0.853) 1.016 33.893 ( 0.656 -0.003 0.390) 0.763 33.920 ( -0.545 1.416 -0.912) 1.770 33.954 ( 0.991 1.543 1.296) 2.245 34.157 ( 1.299 -6.885 6.263) 9.398 34.283 ( -0.203 -12.593 -7.281) 14.548 34.615 ( 0.264 4.541 1.743) 4.871 34.643 ( -0.157 2.939 -0.449) 2.977 35.008 ( -4.715 5.440 -2.418) 7.594 35.074 ( -0.651 7.265 2.981) 7.880 35.930 ( -7.651 -4.467 -3.571) 9.552 36.055 ( -6.760 -7.077 1.732) 9.939 36.130 ( -2.148 0.076 0.439) 2.194 36.282 ( -2.884 -2.630 0.548) 3.941 36.846 ( -0.307 5.306 3.213) 6.211 36.869 ( 1.529 3.951 -2.184) 4.766 37.012 ( -2.250 10.874 -0.584) 11.120 37.042 ( 0.058 14.686 -0.675) 14.702 37.491 ( 2.775 -0.798 0.415) 2.917 37.684 ( 8.905 8.283 -0.096) 12.162 38.228 ( -9.100 -10.142 26.132) 29.471 39.000 ( 7.191 -14.441 -31.680) 35.552 ======================= Grid point 79 (37/76) ======================= q-point: (-0.22 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -22.538 2.243 6.090) 23.453 1.267 ( -27.690 10.355 -10.057) 31.226 1.728 ( -10.907 1.928 1.461) 11.172 1.907 ( -10.423 -4.498 -2.700) 11.668 2.257 ( -34.237 25.837 -1.649) 42.924 2.312 ( -6.192 -1.246 2.493) 6.790 2.436 ( 1.419 4.909 4.339) 6.704 2.737 ( 1.879 -3.049 10.392) 10.991 2.815 ( 1.815 1.995 3.495) 4.415 2.905 ( -2.963 9.431 -5.259) 11.197 2.977 ( 5.732 1.847 -0.466) 6.040 3.135 ( -2.506 -4.766 -6.598) 8.516 3.151 ( -0.264 7.043 3.265) 7.768 3.252 ( 3.100 -5.856 -2.730) 7.166 3.287 ( -0.555 1.493 -1.532) 2.210 3.415 ( 4.130 4.787 1.205) 6.437 3.470 ( -3.022 0.488 0.495) 3.101 3.597 ( 2.964 0.588 1.113) 3.221 3.618 ( 2.155 6.363 -2.363) 7.121 3.676 ( -0.336 -2.015 1.846) 2.753 3.751 ( 3.635 3.634 -6.023) 7.918 3.847 ( 0.194 7.800 4.548) 9.031 3.972 ( 1.630 11.712 0.698) 11.845 4.013 ( -0.560 1.662 3.219) 3.666 4.095 ( -3.659 -3.839 -8.308) 9.857 4.148 ( 4.590 0.831 -0.816) 4.735 4.272 ( -0.201 -2.798 -2.838) 3.991 4.348 ( 3.018 1.292 -0.591) 3.336 4.584 ( 4.909 1.455 -2.009) 5.500 4.750 ( -1.577 1.262 1.078) 2.289 4.810 ( -10.973 0.962 13.261) 17.239 4.860 ( 1.685 4.379 6.891) 8.337 4.909 ( -1.063 -1.003 -4.389) 4.626 5.038 ( 3.125 0.021 6.338) 7.066 5.220 ( -4.668 -2.014 5.378) 7.401 5.634 ( -2.748 1.465 2.332) 3.891 5.681 ( -2.220 -6.629 -6.759) 9.724 5.774 ( 1.229 1.138 -2.681) 3.162 5.889 ( 2.898 -1.802 1.765) 3.842 6.062 ( -3.107 -4.305 -5.552) 7.682 6.119 ( -1.342 -4.232 1.394) 4.653 6.189 ( -2.721 -4.872 5.585) 7.896 6.261 ( 2.027 5.929 -4.875) 7.940 6.441 ( -1.732 -0.881 0.154) 1.949 6.524 ( 3.679 0.128 -1.739) 4.071 6.544 ( -2.428 6.186 -0.138) 6.647 6.590 ( -1.409 2.555 -1.558) 3.308 6.668 ( 0.732 3.225 5.562) 6.471 6.678 ( -0.621 4.013 2.246) 4.640 6.711 ( 1.563 3.892 1.626) 4.499 6.899 ( -1.317 5.698 -0.567) 5.876 6.999 ( -4.586 2.936 -2.338) 5.926 7.140 ( 4.950 -2.712 -2.557) 6.196 7.275 ( -2.722 1.836 -1.854) 3.770 7.306 ( 6.853 1.430 -0.505) 7.019 7.414 ( -0.672 -1.536 -3.353) 3.748 7.448 ( -0.024 1.741 -2.414) 2.976 7.626 ( 1.706 3.193 -4.388) 5.689 7.697 ( -0.199 3.159 -1.495) 3.501 7.744 ( 3.070 -0.718 3.364) 4.610 7.840 ( 6.098 4.134 4.330) 8.546 7.888 ( 0.607 -0.926 1.056) 1.530 7.915 ( 2.354 4.476 -0.730) 5.110 8.046 ( 4.160 2.732 0.357) 4.989 8.237 ( -2.589 0.400 -1.608) 3.074 8.349 ( 0.201 -5.473 4.233) 6.921 8.668 ( 3.788 -10.172 -4.740) 11.844 9.072 ( 18.367 -11.367 14.290) 25.899 9.227 ( -0.709 -6.538 0.759) 6.620 9.388 ( 2.890 -3.696 -0.713) 4.746 9.722 ( 2.638 -11.587 -7.413) 14.006 9.835 ( 3.813 -8.226 5.571) 10.642 12.539 ( -3.070 -0.648 -0.277) 3.150 12.680 ( -2.191 0.838 0.842) 2.492 12.745 ( 0.723 -0.735 -0.558) 1.173 12.831 ( -0.338 0.128 -0.055) 0.365 13.114 ( -0.804 -1.147 -1.034) 1.741 13.140 ( 0.678 -2.850 0.470) 2.967 13.382 ( -1.819 -6.737 -3.279) 7.710 13.432 ( 0.563 -5.559 1.891) 5.899 14.532 ( 0.390 8.209 -1.824) 8.418 14.562 ( 2.412 14.331 1.129) 14.577 14.633 ( 0.241 12.066 -1.061) 12.115 14.645 ( -0.084 12.662 0.058) 12.663 14.914 ( -1.832 1.675 -1.173) 2.745 15.020 ( -3.847 -0.222 0.557) 3.894 15.108 ( -0.915 -2.820 2.200) 3.692 15.182 ( -6.200 -2.737 -1.575) 6.958 18.271 ( 0.498 -2.204 0.320) 2.282 18.323 ( 0.163 0.943 0.643) 1.153 18.390 ( 0.304 -1.641 -1.759) 2.425 18.409 ( 1.215 -3.410 -0.367) 3.639 18.496 ( 2.109 -11.750 0.445) 11.946 18.560 ( 2.216 -9.037 1.931) 9.503 18.661 ( 3.575 -7.151 -0.801) 8.035 18.681 ( 3.629 -5.946 -0.866) 7.019 20.673 ( 0.172 2.205 0.431) 2.253 20.688 ( 0.265 2.472 -0.386) 2.516 20.886 ( -0.425 -1.045 0.362) 1.185 20.905 ( -0.021 -1.069 -0.184) 1.085 21.144 ( -0.273 0.306 -0.311) 0.514 21.173 ( 0.320 -0.038 0.487) 0.584 21.231 ( 0.453 -0.075 -0.788) 0.912 21.247 ( 0.048 -0.538 1.487) 1.583 22.182 ( -0.310 -0.707 5.721) 5.773 22.284 ( 3.079 -1.062 -1.685) 3.667 22.404 ( 0.116 -0.422 -0.537) 0.693 22.492 ( -0.075 -2.199 -1.599) 2.720 24.043 ( 0.463 -0.235 -0.542) 0.751 24.068 ( 0.213 -0.452 0.990) 1.109 24.132 ( -0.590 0.710 -0.752) 1.191 24.158 ( -1.103 0.354 -0.093) 1.162 27.062 ( 1.080 -3.024 1.190) 3.425 27.097 ( 0.216 -1.650 -0.337) 1.697 27.162 ( -4.781 -6.344 -4.152) 8.963 27.258 ( -1.222 -3.654 1.933) 4.311 27.444 ( 0.774 6.076 0.538) 6.148 27.453 ( 0.412 5.726 0.263) 5.747 27.522 ( -0.745 8.264 -0.493) 8.312 27.638 ( 1.607 8.824 -1.057) 9.031 33.627 ( 6.360 0.770 -1.211) 6.520 33.676 ( 6.057 2.465 0.782) 6.586 33.862 ( 0.522 0.126 0.009) 0.537 33.898 ( 0.033 0.463 -0.293) 0.549 33.913 ( 0.241 0.911 -0.295) 0.987 33.974 ( 0.336 1.281 0.963) 1.637 34.153 ( -1.225 -9.331 -5.679) 10.992 34.291 ( 2.229 -5.761 4.436) 7.605 34.627 ( 0.520 3.260 -0.225) 3.309 34.683 ( 2.897 4.854 3.619) 6.712 34.893 ( -4.375 3.837 -4.397) 7.294 35.067 ( -2.946 8.770 0.976) 9.303 35.777 ( -6.560 -2.602 -2.432) 7.464 35.868 ( -11.527 -3.799 -1.367) 12.213 36.132 ( -2.780 -3.438 1.699) 4.737 36.212 ( -5.504 -2.159 2.387) 6.375 36.853 ( -2.106 2.858 3.860) 5.244 36.915 ( 4.360 2.019 -1.158) 4.942 36.994 ( 1.596 9.176 -1.051) 9.373 37.068 ( 2.705 12.385 0.982) 12.715 37.552 ( 3.477 -0.821 0.345) 3.589 37.822 ( 7.529 11.457 -2.083) 13.866 38.242 ( -14.971 -11.014 22.972) 29.549 38.746 ( 5.446 -0.334 -52.237) 52.521 ======================= Grid point 80 (38/76) ======================= q-point: (-0.11 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -12.939 12.643 15.537) 23.847 0.869 ( -9.858 27.193 7.459) 29.871 1.448 ( -24.084 14.985 4.483) 28.717 1.680 ( -10.905 -1.137 -5.680) 12.348 1.787 ( -16.180 27.960 3.831) 32.530 2.291 ( -2.216 -9.135 3.948) 10.195 2.484 ( 0.586 6.177 -1.302) 6.339 2.770 ( -3.529 -1.370 -1.959) 4.263 2.835 ( -1.141 4.107 2.023) 4.718 2.908 ( 3.524 5.150 -0.804) 6.292 3.024 ( 0.034 -2.608 -4.557) 5.250 3.123 ( 2.189 -5.608 2.641) 6.574 3.186 ( 2.447 15.181 4.544) 16.034 3.233 ( -2.033 -3.098 -2.372) 4.400 3.284 ( 0.993 -8.239 2.176) 8.579 3.410 ( -2.311 -5.175 0.681) 5.708 3.450 ( 0.078 0.460 -1.319) 1.399 3.587 ( -3.148 -1.217 2.986) 4.506 3.658 ( 2.698 4.125 -2.084) 5.352 3.760 ( 6.759 9.255 2.856) 11.811 3.798 ( 5.170 8.110 -1.960) 9.816 3.871 ( -4.239 -2.249 -14.419) 15.197 3.893 ( -0.487 6.328 1.574) 6.539 3.995 ( -0.246 1.357 -0.667) 1.532 4.057 ( -1.206 2.772 4.038) 5.044 4.184 ( 0.959 -0.029 -3.889) 4.006 4.269 ( 2.430 -2.831 -1.943) 4.206 4.366 ( -2.301 4.788 -3.543) 6.385 4.511 ( -1.913 1.745 -3.297) 4.192 4.702 ( -5.569 -1.025 -2.747) 6.294 4.813 ( -2.766 2.634 1.202) 4.004 4.826 ( 2.485 1.222 4.929) 5.653 5.030 ( 5.335 0.911 2.211) 5.846 5.123 ( -2.647 -6.696 5.342) 8.966 5.217 ( -2.469 -0.836 12.930) 13.191 5.559 ( -1.428 -5.334 -3.935) 6.780 5.645 ( -1.098 0.267 2.336) 2.595 5.783 ( 0.197 1.880 1.619) 2.489 5.940 ( 2.319 -3.271 -2.807) 4.895 5.981 ( -1.602 -2.016 -3.144) 4.064 6.103 ( 0.740 -3.812 1.477) 4.154 6.256 ( 3.022 -2.082 6.295) 7.286 6.275 ( -0.810 1.196 3.445) 3.736 6.446 ( 1.578 -0.159 1.724) 2.343 6.511 ( -1.124 5.104 1.662) 5.484 6.559 ( 1.348 -0.113 -0.187) 1.366 6.573 ( -0.247 2.683 1.087) 2.906 6.699 ( -0.529 4.323 2.747) 5.149 6.708 ( -2.181 3.724 2.114) 4.806 6.723 ( 0.882 2.874 -0.297) 3.020 6.886 ( -0.223 4.386 -0.044) 4.392 6.904 ( -2.392 2.057 -3.848) 4.976 7.212 ( -1.279 -0.425 -2.808) 3.115 7.248 ( 4.700 2.712 1.866) 5.738 7.387 ( 2.844 -0.685 -1.615) 3.341 7.400 ( 3.562 2.727 -1.075) 4.613 7.452 ( 3.148 -2.570 -2.174) 4.608 7.615 ( 2.621 4.738 -5.279) 7.562 7.697 ( 1.230 1.482 -1.169) 2.253 7.762 ( -2.970 1.246 -0.098) 3.222 7.889 ( -0.642 0.997 1.132) 1.640 7.950 ( 0.561 3.627 2.283) 4.322 7.968 ( 2.818 0.973 3.596) 4.672 8.094 ( 1.349 2.024 -0.037) 2.433 8.191 ( 0.040 -1.073 -2.830) 3.027 8.288 ( -5.780 -3.500 -1.218) 6.866 8.774 ( 6.110 -11.319 1.796) 12.988 9.147 ( -5.277 -17.453 -2.587) 18.415 9.402 ( 3.037 -2.943 -2.719) 5.028 9.445 ( 7.382 -1.635 2.651) 8.012 9.734 ( 4.375 -12.320 -2.192) 13.256 9.954 ( 4.045 -10.983 8.580) 14.512 12.498 ( -1.577 -0.198 0.592) 1.696 12.636 ( -2.312 0.898 -1.623) 2.965 12.764 ( 1.156 -0.207 0.692) 1.363 12.827 ( -0.255 0.428 -0.071) 0.504 13.088 ( -0.600 -2.104 -0.531) 2.252 13.150 ( 0.407 -5.560 -0.074) 5.576 13.333 ( -0.703 -3.814 -0.873) 3.975 13.450 ( -0.193 -5.136 0.690) 5.186 14.543 ( 2.094 8.458 0.382) 8.721 14.605 ( -1.395 11.054 -0.980) 11.185 14.615 ( 2.216 14.272 1.323) 14.503 14.635 ( -0.644 13.233 -0.831) 13.274 14.935 ( 2.814 3.157 2.283) 4.806 14.965 ( -2.923 -1.088 0.316) 3.135 15.047 ( -6.415 -1.300 -2.457) 6.991 15.108 ( -1.094 -2.018 1.026) 2.514 18.270 ( -0.318 -2.628 0.071) 2.648 18.346 ( 0.575 3.885 -0.453) 3.953 18.386 ( 0.875 -5.303 0.379) 5.388 18.421 ( 0.726 -5.686 0.233) 5.737 18.522 ( 0.950 -11.183 -0.246) 11.226 18.602 ( 0.801 -8.161 0.123) 8.201 18.713 ( 2.480 -6.188 -0.083) 6.667 18.725 ( 2.510 -5.413 -0.035) 5.967 20.679 ( 0.216 1.981 0.003) 1.993 20.695 ( 0.755 2.830 -0.413) 2.958 20.882 ( -0.320 -1.018 0.281) 1.104 20.903 ( -0.027 -1.105 -0.210) 1.125 21.142 ( 0.012 0.330 0.318) 0.459 21.179 ( 0.043 -0.237 0.007) 0.241 21.235 ( 0.545 -0.045 -0.458) 0.713 21.254 ( -0.535 -0.996 1.008) 1.514 22.254 ( -0.444 -6.326 10.561) 12.319 22.332 ( 3.894 -2.203 -0.986) 4.581 22.407 ( 0.756 -0.182 -0.203) 0.803 22.465 ( -1.283 -1.528 -1.247) 2.353 24.051 ( 0.919 -0.238 -0.233) 0.978 24.077 ( -0.402 -1.060 1.102) 1.581 24.120 ( -0.043 0.747 -0.624) 0.975 24.136 ( -1.192 0.600 -0.062) 1.336 27.010 ( -5.396 -2.646 -3.220) 6.818 27.100 ( 1.270 -3.193 1.049) 3.593 27.115 ( 0.969 -2.742 0.202) 2.916 27.234 ( -2.855 -4.988 0.454) 5.765 27.458 ( 0.118 5.451 0.659) 5.492 27.464 ( 0.824 5.095 0.283) 5.169 27.512 ( -0.546 8.628 0.193) 8.647 27.641 ( 2.226 11.064 -5.185) 12.420 33.706 ( 4.024 1.013 -0.829) 4.231 33.780 ( 5.141 0.281 -0.091) 5.150 33.865 ( 0.355 2.018 1.075) 2.314 33.904 ( -0.896 0.245 -0.782) 1.214 33.913 ( 0.674 0.228 0.283) 0.766 34.003 ( 2.966 3.305 0.489) 4.468 34.084 ( -1.323 -3.492 -3.566) 5.163 34.367 ( 1.372 -5.447 3.388) 6.560 34.639 ( 0.870 2.588 0.072) 2.731 34.742 ( -1.101 7.266 0.144) 7.350 34.833 ( 2.304 2.056 -1.009) 3.249 34.999 ( -1.921 10.377 -4.718) 11.560 35.678 ( -4.493 -2.410 -0.709) 5.147 35.690 ( -7.007 -2.047 -0.201) 7.303 36.060 ( -4.555 -0.921 0.120) 4.649 36.137 ( -7.245 -4.848 1.020) 8.777 36.853 ( -1.949 1.562 4.812) 5.422 36.948 ( 0.550 4.926 -0.106) 4.958 37.055 ( 4.460 -0.498 -3.315) 5.579 37.135 ( 5.688 3.856 -1.555) 7.046 37.604 ( 3.409 0.112 -1.224) 3.624 37.838 ( -4.086 7.087 -6.230) 10.283 38.141 ( -11.693 2.767 12.157) 17.093 38.388 ( 15.474 37.596 -51.105) 65.304 ======================= Grid point 81 (39/76) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.065 18.401 14.118) 23.395 1.428 ( -2.746 1.636 -0.323) 3.213 1.614 ( -0.513 8.793 7.464) 11.546 1.720 ( 4.416 21.316 10.057) 23.979 2.046 ( 4.640 -14.415 3.116) 15.461 2.219 ( 2.330 22.419 3.882) 22.871 2.333 ( -0.941 -2.482 -6.726) 7.231 2.704 ( -5.808 2.064 -3.443) 7.060 2.809 ( -3.881 -1.351 -2.143) 4.634 2.878 ( -3.321 -13.377 1.745) 13.893 2.938 ( 2.330 -0.989 -3.699) 4.482 3.085 ( -2.865 -5.400 -5.166) 8.003 3.152 ( -4.386 -4.482 1.489) 6.445 3.200 ( 1.536 -7.633 0.293) 7.792 3.356 ( 1.867 8.466 7.976) 11.780 3.438 ( 0.335 2.207 -3.525) 4.172 3.509 ( -0.071 1.636 -1.906) 2.513 3.576 ( 0.175 8.304 2.324) 8.625 3.680 ( 7.206 -3.665 -7.422) 10.975 3.768 ( 8.920 1.442 -2.939) 9.502 3.913 ( -3.098 2.654 -6.519) 7.690 3.951 ( -1.226 2.313 -0.690) 2.707 4.028 ( -2.764 1.275 -6.119) 6.835 4.087 ( -3.233 7.181 1.545) 8.025 4.179 ( -2.121 3.643 5.989) 7.324 4.288 ( -1.272 6.843 1.859) 7.204 4.330 ( -1.446 3.516 -0.068) 3.803 4.420 ( 0.213 3.063 6.484) 7.174 4.422 ( 1.094 11.156 -2.227) 11.428 4.660 ( 2.829 0.616 -1.521) 3.271 4.818 ( -2.297 -0.451 -7.481) 7.839 4.887 ( 0.745 3.162 -1.033) 3.409 5.004 ( -1.601 -1.869 -0.831) 2.598 5.016 ( -2.500 -3.938 5.319) 7.075 5.262 ( 0.687 -1.288 3.505) 3.796 5.415 ( 4.190 -8.525 -1.303) 9.588 5.709 ( -3.673 4.879 6.848) 9.175 5.835 ( 0.620 0.104 3.458) 3.515 5.909 ( 2.059 -0.266 -0.796) 2.224 5.977 ( 1.513 0.613 0.666) 1.763 6.076 ( -1.561 -2.721 4.833) 5.762 6.128 ( -8.981 -4.319 8.741) 13.256 6.419 ( 5.709 6.681 -8.716) 12.378 6.519 ( 1.292 2.693 2.835) 4.118 6.548 ( 1.854 -0.054 1.025) 2.119 6.648 ( 0.816 3.004 0.874) 3.233 6.680 ( 1.246 2.213 -1.881) 3.161 6.752 ( -3.650 3.689 2.732) 5.865 6.792 ( -3.391 4.009 -0.176) 5.254 6.810 ( 1.442 3.849 3.077) 5.135 6.876 ( 1.437 0.117 -0.755) 1.628 7.008 ( 0.809 7.414 -1.348) 7.579 7.218 ( 4.810 -2.817 -2.612) 6.156 7.248 ( -1.861 -7.252 -3.003) 8.066 7.447 ( -0.728 1.178 0.970) 1.690 7.517 ( 2.177 11.323 1.620) 11.644 7.572 ( 0.439 9.603 -0.889) 9.654 7.679 ( 0.898 -1.887 -3.842) 4.373 7.760 ( 1.932 5.070 -0.895) 5.499 7.797 ( 0.381 3.492 0.443) 3.541 7.903 ( -1.172 -1.166 3.498) 3.869 8.011 ( -0.706 2.210 0.815) 2.459 8.049 ( -2.630 3.534 -0.325) 4.417 8.128 ( 1.972 -2.814 -2.133) 4.044 8.156 ( 1.385 2.084 0.628) 2.580 8.204 ( -2.569 1.691 0.127) 3.078 8.494 ( -1.806 -16.623 -0.834) 16.741 8.603 ( -1.825 -23.004 -4.061) 23.430 9.318 ( 1.220 -3.736 -0.382) 3.949 9.420 ( -3.922 -1.645 -3.588) 5.565 9.556 ( 3.870 -10.762 3.643) 12.003 9.732 ( -3.182 -12.136 -1.187) 12.603 12.515 ( 0.206 1.999 1.038) 2.261 12.599 ( -1.027 0.102 -2.492) 2.697 12.722 ( 0.228 -4.126 0.675) 4.187 12.761 ( -0.345 -5.201 -0.851) 5.282 13.064 ( 1.371 -1.831 1.718) 2.860 13.079 ( 1.913 -0.915 1.949) 2.880 13.265 ( -0.037 -3.550 0.088) 3.551 13.313 ( -1.312 -5.081 -1.459) 5.447 14.792 ( -1.308 8.533 0.920) 8.682 14.866 ( 0.357 6.110 -0.605) 6.150 14.899 ( 1.873 12.468 0.915) 12.641 14.937 ( 0.570 2.997 0.070) 3.052 14.968 ( -2.154 8.057 0.021) 8.340 15.002 ( -0.551 7.498 -0.509) 7.535 15.059 ( 1.676 0.647 1.049) 2.080 15.079 ( 0.547 6.740 0.224) 6.766 18.104 ( 0.322 -10.538 0.723) 10.568 18.160 ( -0.941 -11.586 -1.651) 11.741 18.218 ( 0.415 -11.933 0.669) 11.959 18.238 ( 0.666 -13.578 0.217) 13.596 18.495 ( 0.297 5.161 0.559) 5.200 18.525 ( -0.541 1.279 -0.531) 1.487 18.627 ( 0.409 -3.675 0.815) 3.786 18.669 ( -0.290 -2.686 -0.799) 2.818 20.733 ( -0.250 2.687 0.364) 2.723 20.754 ( 0.291 2.819 -0.445) 2.869 20.845 ( -0.564 -2.070 0.597) 2.227 20.867 ( 0.316 -1.971 -0.253) 2.012 21.156 ( 0.064 0.482 0.415) 0.640 21.174 ( 0.067 -0.250 -0.238) 0.351 21.233 ( -0.569 -0.127 0.001) 0.583 21.238 ( 0.219 -0.252 -0.147) 0.364 22.212 ( -1.586 -0.305 3.337) 3.707 22.301 ( 1.105 -3.651 -0.356) 3.832 22.409 ( -0.103 -0.508 -0.242) 0.572 22.418 ( 0.531 -1.100 -0.534) 1.333 24.058 ( 0.235 -0.271 0.374) 0.519 24.059 ( -0.304 -0.272 0.383) 0.560 24.134 ( 0.201 0.646 -0.496) 0.838 24.137 ( -0.039 0.570 -0.474) 0.742 26.968 ( 1.867 -1.473 1.020) 2.587 27.020 ( -2.047 -3.662 -0.953) 4.302 27.083 ( 0.319 -1.549 0.603) 1.693 27.102 ( 0.285 -2.665 -0.235) 2.690 27.588 ( 0.901 4.830 1.050) 5.024 27.595 ( 0.242 4.965 1.561) 5.210 27.674 ( -0.705 6.970 -0.584) 7.029 27.763 ( -0.673 3.461 -3.356) 4.867 33.782 ( 1.640 1.386 1.363) 2.543 33.845 ( 2.552 -1.090 1.695) 3.252 33.869 ( -2.288 1.722 -2.104) 3.554 33.913 ( -1.288 -0.069 -0.971) 1.615 33.941 ( 0.497 1.889 1.476) 2.448 34.018 ( -1.114 0.295 -1.881) 2.206 34.106 ( 1.457 -0.983 1.829) 2.536 34.222 ( -2.948 -4.945 -2.371) 6.226 34.749 ( 1.600 4.842 1.437) 5.298 34.824 ( -2.274 4.369 -2.619) 5.579 34.982 ( 2.630 5.712 2.480) 6.760 35.088 ( -1.476 3.242 -2.313) 4.247 35.560 ( 0.826 -2.299 0.186) 2.450 35.591 ( 0.081 -2.753 -0.202) 2.762 36.014 ( -0.849 -0.678 0.174) 1.101 36.017 ( 0.358 -0.615 0.119) 0.722 36.901 ( -1.797 2.915 2.704) 4.363 37.044 ( 5.028 -0.444 -0.905) 5.128 37.057 ( 1.750 0.956 1.048) 2.253 37.160 ( -0.221 -4.560 -4.553) 6.448 37.629 ( -7.163 3.700 4.313) 9.143 37.721 ( -4.755 1.020 4.003) 6.299 38.343 ( -1.087 15.250 -1.333) 15.346 38.841 ( 15.463 -3.407 -21.757) 26.908 ======================= Grid point 82 (40/76) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.945 9.613 9.277) 13.393 1.460 ( 8.053 7.885 0.188) 11.272 1.701 ( 2.175 20.015 5.915) 20.984 1.792 ( 1.166 -5.700 4.806) 7.547 2.171 ( 4.579 0.666 -5.794) 7.414 2.229 ( 4.767 -2.738 -4.730) 7.252 2.464 ( -2.862 12.148 -2.908) 12.814 2.672 ( 15.836 9.250 15.533) 24.034 2.762 ( -3.097 -8.906 3.329) 9.999 2.798 ( -0.566 -7.475 -1.063) 7.571 2.997 ( 6.074 -0.302 -2.888) 6.733 3.076 ( 3.462 -7.590 -1.433) 8.465 3.121 ( 1.308 -5.085 -0.809) 5.313 3.263 ( 4.558 -6.061 1.445) 7.720 3.383 ( -1.414 2.906 -5.001) 5.954 3.432 ( -1.422 1.972 3.931) 4.622 3.491 ( 1.258 0.439 -3.015) 3.296 3.612 ( 4.423 8.129 -3.535) 9.907 3.758 ( -5.084 3.606 -8.903) 10.867 3.765 ( -1.689 -0.928 -3.945) 4.391 3.837 ( 4.175 4.024 2.175) 6.193 3.919 ( 2.760 1.751 -1.675) 3.673 3.987 ( -2.648 3.343 -4.348) 6.090 4.052 ( 1.852 -0.077 5.248) 5.566 4.188 ( -1.535 5.364 4.128) 6.941 4.246 ( -6.088 12.284 0.985) 13.745 4.338 ( 2.772 1.712 1.513) 3.592 4.452 ( 2.850 14.339 -0.392) 14.625 4.538 ( 4.164 4.429 8.090) 10.120 4.676 ( -2.218 3.797 -3.558) 5.657 4.744 ( 3.515 -0.686 -4.223) 5.537 4.822 ( -1.522 2.846 -9.479) 10.013 4.992 ( -2.963 -2.946 8.814) 9.755 5.030 ( -0.632 -7.057 1.784) 7.307 5.248 ( -3.996 -0.082 -0.431) 4.021 5.493 ( 5.757 -10.061 -1.737) 11.721 5.719 ( -1.704 4.665 7.205) 8.751 5.869 ( 0.691 -1.547 1.159) 2.053 5.936 ( 1.432 2.648 -1.383) 3.312 5.958 ( -3.477 0.702 -1.582) 3.884 6.042 ( -4.368 0.751 5.657) 7.187 6.146 ( 0.035 -6.025 10.109) 11.769 6.415 ( 2.528 4.799 -8.298) 9.913 6.559 ( -1.167 2.996 4.203) 5.292 6.608 ( 2.774 0.052 0.808) 2.890 6.651 ( -4.803 -0.513 -2.895) 5.631 6.668 ( 2.270 2.155 -1.320) 3.397 6.712 ( 0.773 2.332 -0.185) 2.464 6.735 ( -3.103 8.112 2.581) 9.061 6.828 ( -2.937 2.776 2.263) 4.632 6.917 ( 2.143 1.212 -0.852) 2.605 7.014 ( 2.357 8.553 -2.375) 9.184 7.170 ( -3.500 -6.699 -1.207) 7.653 7.273 ( 2.376 -2.849 -3.943) 5.414 7.399 ( -3.954 2.981 -0.551) 4.982 7.522 ( -3.616 6.925 -1.194) 7.903 7.558 ( 2.049 6.916 -1.100) 7.296 7.680 ( 0.711 1.585 -1.868) 2.550 7.731 ( -3.371 4.433 0.196) 5.573 7.817 ( 0.843 3.586 -3.311) 4.953 7.943 ( -0.025 -0.107 5.465) 5.466 7.970 ( -2.483 3.488 2.376) 4.896 8.043 ( 0.296 1.361 -1.067) 1.754 8.112 ( -0.205 -0.183 -2.860) 2.874 8.151 ( -2.200 0.315 -0.690) 2.327 8.213 ( 2.181 1.516 2.175) 3.433 8.490 ( 1.694 -18.850 4.157) 19.377 8.532 ( -3.119 -19.710 -4.025) 20.357 9.271 ( -6.850 0.244 -1.464) 7.009 9.347 ( -0.305 -2.916 1.503) 3.294 9.598 ( -8.107 -11.272 -4.291) 14.533 9.654 ( 0.833 -14.993 5.360) 15.944 12.534 ( 0.631 0.879 0.815) 1.355 12.590 ( 2.333 0.500 -1.046) 2.605 12.726 ( -0.595 -4.685 0.391) 4.739 12.762 ( 1.439 -4.078 -0.320) 4.336 13.097 ( 0.246 -0.335 -0.040) 0.417 13.101 ( -0.173 -0.345 -0.749) 0.843 13.267 ( -0.631 -4.672 -0.169) 4.718 13.293 ( 1.098 -5.986 0.748) 6.131 14.801 ( 0.576 6.320 2.503) 6.822 14.836 ( -2.219 10.577 -1.828) 10.961 14.912 ( -0.573 3.707 0.382) 3.770 14.941 ( 1.233 8.301 -0.775) 8.428 14.980 ( 1.474 5.852 1.094) 6.133 15.011 ( 1.096 11.654 0.331) 11.711 15.086 ( 0.353 5.684 -0.352) 5.705 15.088 ( 1.496 0.050 -0.751) 1.674 18.111 ( -0.691 -10.928 0.438) 10.959 18.135 ( -0.256 -11.829 -0.518) 11.843 18.223 ( -0.691 -12.981 0.276) 13.003 18.233 ( -0.842 -12.699 -0.520) 12.738 18.496 ( -1.383 3.147 -0.021) 3.437 18.505 ( -0.636 3.311 0.304) 3.385 18.622 ( -2.069 -2.917 0.536) 3.616 18.640 ( -1.968 -3.094 -0.680) 3.730 20.728 ( -0.603 2.733 0.251) 2.810 20.758 ( 0.485 3.136 -0.220) 3.181 20.842 ( -0.437 -2.153 0.488) 2.251 20.873 ( 0.549 -1.767 -0.164) 1.858 21.161 ( 0.114 0.223 0.362) 0.440 21.173 ( 0.030 -0.250 -0.271) 0.370 21.220 ( -0.765 0.353 -0.067) 0.845 21.242 ( 0.244 -0.560 0.164) 0.632 22.207 ( -1.865 0.341 2.428) 3.081 22.306 ( -0.306 -3.768 0.097) 3.782 22.401 ( -0.259 -0.473 -0.271) 0.603 22.427 ( 0.636 -2.106 -0.796) 2.340 24.054 ( -0.457 0.122 0.065) 0.478 24.064 ( -0.175 -0.473 0.552) 0.747 24.137 ( 0.727 0.479 -0.627) 1.073 24.141 ( 0.764 0.341 -0.203) 0.861 26.980 ( -0.534 -1.743 -0.900) 2.033 27.036 ( 3.667 -4.701 1.110) 6.065 27.081 ( -0.420 -0.939 -0.043) 1.030 27.122 ( 1.711 -2.617 -0.260) 3.137 27.593 ( -0.976 5.704 -0.034) 5.787 27.618 ( 0.354 5.149 1.384) 5.343 27.676 ( 0.943 6.633 0.574) 6.724 27.726 ( 0.024 4.295 -2.638) 5.041 33.776 ( -5.611 2.457 -1.940) 6.426 33.803 ( -2.253 2.182 1.315) 3.401 33.867 ( -1.165 -0.804 -0.735) 1.595 33.909 ( 2.015 -1.589 0.946) 2.735 33.943 ( -1.576 1.318 1.148) 2.354 33.971 ( -2.081 1.125 -1.149) 2.630 34.117 ( -4.013 -2.337 -1.083) 4.768 34.160 ( 0.246 -5.694 2.251) 6.127 34.744 ( -3.187 5.077 -1.251) 6.124 34.778 ( -1.120 5.124 0.834) 5.311 35.015 ( 0.452 6.005 -1.727) 6.265 35.094 ( 3.806 2.953 0.775) 4.879 35.628 ( 4.961 -2.947 -0.707) 5.813 35.637 ( 6.818 -2.400 -0.055) 7.229 36.039 ( 2.974 -0.080 0.444) 3.008 36.066 ( 4.886 -1.121 0.324) 5.024 36.893 ( -0.834 2.906 1.338) 3.306 37.024 ( -3.040 -0.215 -0.431) 3.078 37.153 ( 6.798 0.002 -2.209) 7.148 37.207 ( 8.051 -0.449 -3.198) 8.675 37.515 ( -8.825 9.320 4.334) 13.547 37.714 ( -2.777 0.487 5.981) 6.612 38.240 ( -8.042 16.240 -3.093) 18.384 38.855 ( 6.609 -13.511 -17.623) 23.169 ======================= Grid point 83 (41/76) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 8.184 5.590 2.222) 10.157 1.637 ( 7.975 5.375 -0.716) 9.644 1.766 ( 4.022 9.904 0.613) 10.707 1.893 ( 6.304 -8.657 3.732) 11.341 1.985 ( -1.516 9.386 -15.729) 18.379 2.419 ( 9.832 -10.059 9.333) 16.880 2.562 ( -4.978 -6.928 1.668) 8.692 2.692 ( 11.170 5.842 4.580) 13.412 2.791 ( 1.222 -7.548 0.049) 7.647 3.050 ( 5.373 -2.292 -4.340) 7.277 3.123 ( 5.436 -2.596 -0.883) 6.088 3.128 ( 3.351 -4.262 11.781) 12.969 3.186 ( 6.217 2.748 1.237) 6.909 3.265 ( -4.464 3.836 -4.357) 7.322 3.379 ( -3.022 -1.390 -0.247) 3.335 3.416 ( 6.212 -3.773 0.510) 7.286 3.490 ( -0.509 0.896 1.505) 1.824 3.604 ( -4.749 6.975 -4.451) 9.540 3.658 ( 3.434 4.546 -5.122) 7.661 3.706 ( 1.798 2.882 -4.994) 6.039 3.805 ( 1.141 5.385 -4.152) 6.895 3.985 ( 1.928 6.084 -2.236) 6.763 4.023 ( 0.928 7.986 5.952) 10.003 4.120 ( -1.202 11.788 5.875) 13.226 4.130 ( -3.128 11.720 -3.609) 12.656 4.215 ( 0.407 1.898 4.381) 4.792 4.392 ( 2.753 2.735 -0.300) 3.893 4.501 ( 2.603 10.385 -1.702) 10.841 4.607 ( -1.355 6.301 -1.839) 6.702 4.636 ( 1.356 3.821 -0.462) 4.081 4.766 ( 3.554 -1.187 -1.109) 3.907 4.793 ( 1.237 2.027 4.117) 4.753 5.016 ( -1.874 -7.556 2.765) 8.261 5.070 ( 4.434 -7.569 3.817) 9.566 5.152 ( -4.806 2.530 -1.252) 5.573 5.563 ( 3.991 -10.892 -1.605) 11.711 5.771 ( -0.000 3.268 6.015) 6.845 5.838 ( -5.106 2.750 -0.627) 5.833 5.890 ( 1.094 -1.944 -2.671) 3.479 5.964 ( -0.103 -1.188 -2.280) 2.572 6.057 ( 1.971 4.931 6.026) 8.032 6.241 ( 1.309 -4.399 6.647) 8.077 6.357 ( -1.571 1.629 -7.254) 7.599 6.443 ( -9.444 -0.873 -2.616) 9.838 6.578 ( -1.623 2.885 -3.846) 5.074 6.634 ( 1.398 1.394 -0.046) 1.975 6.697 ( -1.674 5.487 0.656) 5.774 6.733 ( -0.201 3.201 1.443) 3.518 6.770 ( 3.651 2.063 2.392) 4.828 6.799 ( -0.362 0.979 4.354) 4.477 6.910 ( -0.532 0.175 -2.339) 2.406 7.040 ( 3.264 7.347 -4.270) 9.103 7.115 ( -3.097 -5.794 -0.037) 6.570 7.204 ( -2.571 -2.907 -7.163) 8.146 7.341 ( -2.741 5.245 1.175) 6.034 7.460 ( -1.403 3.156 -1.644) 3.825 7.568 ( -1.630 9.987 -4.679) 11.149 7.624 ( -1.078 8.544 0.571) 8.631 7.738 ( -0.606 1.019 4.391) 4.549 7.773 ( -1.415 4.701 -3.766) 6.188 7.927 ( -4.946 0.485 1.439) 5.174 7.952 ( -2.949 -0.719 0.195) 3.041 8.027 ( 0.158 -1.904 0.296) 1.933 8.104 ( -1.190 0.561 0.600) 1.446 8.156 ( 2.530 5.086 1.986) 6.017 8.259 ( 1.359 0.394 2.095) 2.528 8.414 ( -7.090 -13.714 -1.751) 15.537 8.604 ( 4.328 -22.067 5.701) 23.199 9.188 ( -3.008 -2.741 1.897) 4.490 9.323 ( -4.642 -2.178 0.766) 5.184 9.429 ( -6.917 -9.382 -3.549) 12.185 9.663 ( -3.418 -16.040 2.562) 16.599 12.549 ( 1.215 0.174 -0.252) 1.253 12.643 ( 2.665 1.964 0.185) 3.316 12.724 ( 0.400 -6.107 1.062) 6.212 12.793 ( 1.719 -3.206 -0.007) 3.638 13.072 ( -0.566 -1.301 -1.238) 1.883 13.083 ( -0.582 -0.236 -1.537) 1.660 13.254 ( -0.584 -3.438 -0.434) 3.514 13.324 ( 0.662 -6.591 0.755) 6.667 14.738 ( -4.394 9.069 -2.986) 10.510 14.849 ( -0.389 9.277 1.196) 9.362 14.916 ( 1.522 7.973 1.585) 8.270 14.988 ( 3.584 3.094 0.281) 4.743 15.000 ( -0.855 13.075 -1.208) 13.158 15.025 ( 1.260 3.611 0.685) 3.885 15.090 ( 2.223 5.645 0.035) 6.067 15.122 ( 2.533 -0.574 -0.494) 2.644 18.099 ( -0.555 -12.297 0.077) 12.309 18.129 ( -0.824 -13.234 0.595) 13.273 18.192 ( -2.402 -13.330 -0.908) 13.575 18.216 ( -0.723 -12.877 -0.345) 12.902 18.466 ( -1.545 4.454 -0.128) 4.716 18.492 ( -1.475 1.755 0.155) 2.298 18.570 ( -3.373 -2.021 -0.456) 3.958 18.599 ( -2.983 -1.433 0.544) 3.354 20.721 ( -0.460 2.796 0.285) 2.848 20.764 ( 0.401 3.263 -0.314) 3.303 20.840 ( -0.289 -2.251 0.507) 2.325 20.881 ( 0.580 -1.691 -0.195) 1.798 21.162 ( -0.088 -0.077 -0.296) 0.318 21.170 ( -0.208 -0.357 0.043) 0.415 21.211 ( -0.276 0.838 0.250) 0.917 21.248 ( 0.168 -0.788 0.313) 0.865 22.196 ( -1.467 0.844 1.566) 2.306 22.296 ( -0.846 -3.582 -0.127) 3.682 22.393 ( -0.384 -0.876 -0.660) 1.162 22.420 ( -0.502 -1.938 -0.638) 2.101 24.045 ( -0.388 0.367 -0.214) 0.575 24.064 ( -0.298 -0.538 0.552) 0.826 24.145 ( 0.777 0.475 -0.648) 1.118 24.155 ( 0.863 0.112 0.116) 0.878 26.994 ( 2.259 -0.492 0.375) 2.342 27.066 ( -0.076 -1.634 -0.898) 1.866 27.082 ( 0.777 -2.271 -0.699) 2.500 27.167 ( 3.098 -4.626 0.943) 5.646 27.571 ( -0.935 5.425 -0.629) 5.541 27.608 ( -1.259 4.300 -1.012) 4.593 27.704 ( 1.131 7.764 0.900) 7.898 27.738 ( 1.891 6.247 1.076) 6.615 33.654 ( -6.565 3.000 -1.396) 7.352 33.734 ( -4.491 2.608 -0.098) 5.194 33.869 ( -0.960 -2.262 0.617) 2.534 33.901 ( -2.431 -0.051 -0.831) 2.569 33.918 ( -0.766 0.394 -0.339) 0.926 33.959 ( 0.056 -0.358 0.999) 1.063 34.033 ( -3.280 0.690 -0.865) 3.461 34.193 ( -0.636 -9.621 2.889) 10.066 34.685 ( -2.172 4.466 -0.706) 5.016 34.768 ( -0.875 2.184 1.407) 2.742 35.019 ( 2.381 9.051 -2.688) 9.737 35.190 ( 5.595 4.353 2.576) 7.542 35.714 ( 5.756 -3.275 -1.800) 6.862 35.762 ( 7.710 -4.585 -0.640) 8.993 36.109 ( 4.121 0.053 0.880) 4.214 36.165 ( 5.488 -2.670 0.526) 6.125 36.895 ( 0.543 3.397 -0.047) 3.441 37.007 ( 1.867 0.011 -0.802) 2.032 37.235 ( 5.711 4.848 -3.353) 8.207 37.288 ( 3.395 0.984 -5.376) 6.434 37.456 ( -2.716 14.642 10.556) 18.253 37.710 ( -5.088 2.460 7.442) 9.345 38.047 ( -10.477 13.849 -3.628) 17.740 38.780 ( 2.012 -22.687 -14.366) 26.928 ======================= Grid point 84 (42/76) ======================= q-point: ( 0.33 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 12.429 -0.021 -2.352) 12.650 1.655 ( 3.826 4.592 -5.895) 8.395 1.894 ( 2.526 4.703 -1.917) 5.672 1.954 ( 8.206 -1.978 2.226) 8.730 2.034 ( 7.681 -6.617 -2.373) 10.412 2.497 ( -3.305 -10.966 3.025) 11.846 2.624 ( 4.792 -7.739 1.992) 9.318 2.809 ( 2.284 -6.525 5.590) 8.890 2.901 ( 2.783 5.467 5.688) 8.366 3.067 ( 0.827 -2.008 -2.005) 2.956 3.109 ( -1.584 1.862 -9.817) 10.117 3.212 ( -0.106 -2.728 6.493) 7.044 3.236 ( 4.717 -4.310 3.670) 7.368 3.285 ( -3.895 -1.702 2.141) 4.760 3.363 ( 1.881 8.824 0.580) 9.040 3.413 ( 2.207 4.667 -2.625) 5.791 3.489 ( -2.902 0.389 -1.768) 3.421 3.558 ( 4.920 2.413 -0.646) 5.518 3.628 ( -0.576 4.868 -5.238) 7.174 3.750 ( 1.934 0.781 1.121) 2.368 3.845 ( 1.671 8.578 0.296) 8.744 3.937 ( -4.974 13.005 -1.856) 14.047 4.021 ( 2.940 14.509 -4.073) 15.354 4.096 ( -2.579 -1.233 0.095) 2.860 4.151 ( -0.076 11.917 4.588) 12.770 4.260 ( 2.442 8.634 -0.224) 8.975 4.449 ( 3.379 5.458 -0.963) 6.491 4.489 ( -0.956 5.361 0.081) 5.446 4.564 ( 0.646 0.934 -2.809) 3.030 4.703 ( 3.923 7.152 2.364) 8.493 4.763 ( -2.336 1.565 0.687) 2.895 4.922 ( 1.986 -5.071 5.821) 7.971 4.990 ( 0.531 6.048 -2.855) 6.709 5.091 ( -0.568 -3.114 2.088) 3.792 5.231 ( 7.266 -7.067 5.036) 11.318 5.594 ( 1.266 -10.834 -1.463) 11.005 5.749 ( -2.890 1.669 -2.580) 4.218 5.808 ( -1.053 2.300 2.986) 3.913 5.854 ( -3.081 -0.578 -3.162) 4.453 5.922 ( -1.308 -0.661 -1.571) 2.148 6.178 ( 2.220 2.677 5.154) 6.217 6.234 ( -2.740 0.060 -2.204) 3.517 6.293 ( 0.403 0.137 0.816) 0.920 6.348 ( 1.217 -2.456 -3.824) 4.705 6.524 ( -1.035 2.955 -1.168) 3.342 6.653 ( 2.168 0.586 -1.283) 2.587 6.668 ( -0.592 2.612 -1.416) 3.030 6.741 ( -0.064 2.944 1.152) 3.162 6.809 ( 0.422 4.041 4.374) 5.970 6.843 ( -0.852 -1.652 -3.632) 4.080 6.926 ( 4.332 -1.015 1.226) 4.615 7.039 ( -2.933 -2.378 -2.066) 4.304 7.057 ( 3.355 4.159 -3.560) 6.420 7.154 ( -0.425 -4.353 1.090) 4.507 7.322 ( -2.416 6.525 1.996) 7.239 7.424 ( -3.474 3.991 2.792) 5.983 7.488 ( -1.640 10.736 -3.249) 11.336 7.615 ( -2.119 7.423 0.282) 7.725 7.722 ( -1.471 1.134 -1.341) 2.291 7.747 ( -1.238 4.452 1.227) 4.781 7.852 ( -4.022 4.058 1.175) 5.833 7.881 ( -3.838 -0.622 -1.901) 4.328 8.032 ( -1.689 2.977 -1.033) 3.575 8.122 ( 2.771 -3.363 2.988) 5.283 8.201 ( 0.840 3.467 0.748) 3.645 8.288 ( -0.606 -0.962 1.686) 2.033 8.314 ( -3.007 -5.097 1.194) 6.037 8.656 ( -3.132 -23.883 0.025) 24.087 9.182 ( -0.812 -5.667 2.035) 6.076 9.217 ( -4.824 -2.959 -1.610) 5.884 9.310 ( -5.009 -7.619 -1.135) 9.188 9.608 ( -3.715 -16.728 -0.189) 17.137 12.577 ( 2.139 -0.666 -0.054) 2.241 12.655 ( -0.416 -1.382 -0.197) 1.456 12.755 ( 1.292 -2.334 0.220) 2.677 12.803 ( -0.174 -1.775 -0.414) 1.830 13.079 ( 1.392 -1.571 0.646) 2.196 13.082 ( 1.208 -0.778 0.385) 1.487 13.240 ( -0.364 -3.250 -0.408) 3.296 13.320 ( -0.829 -7.129 -0.698) 7.211 14.660 ( -2.064 8.047 -1.135) 8.384 14.832 ( -1.120 7.524 0.222) 7.610 14.946 ( -0.295 14.280 -1.227) 14.336 14.991 ( 1.074 16.057 0.927) 16.120 15.015 ( 0.134 3.253 -1.640) 3.646 15.054 ( 2.463 -0.066 0.969) 2.648 15.143 ( 1.222 2.385 -0.407) 2.711 15.178 ( 4.425 -0.962 1.361) 4.728 18.091 ( -0.587 -13.343 0.004) 13.356 18.122 ( -0.848 -14.030 0.471) 14.064 18.140 ( -2.091 -13.510 -0.255) 13.673 18.200 ( -0.735 -14.721 -0.671) 14.755 18.448 ( -0.534 4.343 0.155) 4.378 18.463 ( -1.495 1.518 -0.282) 2.149 18.512 ( -2.908 -0.409 -0.323) 2.954 18.549 ( -3.419 0.492 0.515) 3.493 20.718 ( -0.278 2.789 0.387) 2.829 20.765 ( 0.273 3.367 -0.632) 3.437 20.841 ( -0.211 -2.322 0.637) 2.417 20.888 ( 0.451 -1.704 -0.381) 1.803 21.155 ( -0.165 0.038 -0.463) 0.493 21.166 ( -0.342 -0.486 0.344) 0.687 21.213 ( 0.115 0.837 0.192) 0.866 21.252 ( -0.012 -0.791 0.047) 0.793 22.186 ( -1.016 0.955 0.950) 1.687 22.275 ( -0.802 -3.300 -1.433) 3.686 22.377 ( -0.504 -0.387 -0.391) 0.746 22.410 ( -0.537 -1.524 0.387) 1.662 24.038 ( -0.186 0.394 -0.227) 0.491 24.063 ( -0.270 -0.683 0.154) 0.751 24.152 ( 0.584 0.735 -0.237) 0.968 24.169 ( 0.557 0.064 0.241) 0.611 27.045 ( 2.381 -1.397 1.069) 2.961 27.055 ( 0.072 -0.939 -1.168) 1.500 27.085 ( 0.447 -0.633 -0.186) 0.797 27.220 ( 2.071 -5.185 0.281) 5.590 27.557 ( -0.371 4.863 -0.078) 4.878 27.580 ( -0.702 4.289 -0.852) 4.429 27.721 ( 0.184 9.216 0.471) 9.230 27.780 ( 1.394 6.409 0.963) 6.629 33.548 ( -4.729 3.360 -0.211) 5.805 33.679 ( -2.352 3.954 0.766) 4.664 33.802 ( -4.128 -4.544 -1.248) 6.264 33.878 ( -0.734 -0.569 -0.057) 0.930 33.914 ( 0.223 0.453 0.214) 0.548 33.962 ( -0.602 0.449 0.407) 0.854 34.003 ( -0.506 0.462 0.155) 0.703 34.178 ( -2.117 -10.912 -0.407) 11.123 34.661 ( -0.693 3.587 0.396) 3.674 34.774 ( -0.145 -0.686 0.914) 1.152 35.044 ( 2.686 12.754 -0.900) 13.065 35.310 ( 5.201 3.645 1.517) 6.530 35.781 ( 4.013 -1.931 -1.113) 4.590 35.880 ( 6.185 -6.972 0.111) 9.321 36.173 ( 2.897 -0.327 -0.608) 2.978 36.242 ( 2.939 -3.437 0.381) 4.538 36.913 ( 1.268 4.416 0.075) 4.595 37.057 ( 4.239 -1.572 0.356) 4.535 37.224 ( -3.470 5.484 -3.099) 7.192 37.301 ( 4.716 7.845 -2.017) 9.373 37.607 ( 5.517 13.388 10.650) 17.975 37.657 ( -7.757 6.102 4.950) 11.041 37.852 ( -9.093 7.582 -0.508) 11.850 38.697 ( 2.338 -27.489 -12.208) 30.169 ======================= Grid point 85 (43/76) ======================= q-point: ( 0.44 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 7.104 -3.870 -3.534) 8.828 1.688 ( 1.947 -1.086 -4.362) 4.898 1.921 ( 4.117 3.920 2.551) 6.231 2.075 ( -0.657 -7.847 0.036) 7.875 2.112 ( 7.080 -4.939 -2.472) 8.979 2.477 ( -1.847 -11.899 0.081) 12.041 2.624 ( -3.945 -2.210 0.703) 4.576 2.914 ( 1.521 -2.885 6.312) 7.105 2.928 ( -2.257 0.030 3.192) 3.910 3.002 ( -0.149 1.154 -8.696) 8.773 3.095 ( -1.241 0.174 3.846) 4.045 3.208 ( -1.619 -6.542 -3.689) 7.683 3.251 ( 0.720 8.899 2.745) 9.340 3.318 ( 1.903 0.066 4.225) 4.634 3.373 ( 0.606 -3.073 3.914) 5.013 3.449 ( 1.070 2.901 0.160) 3.096 3.530 ( 2.948 6.300 -0.511) 6.975 3.556 ( -0.854 5.815 -5.074) 7.765 3.626 ( 0.200 5.539 2.347) 6.019 3.782 ( 0.355 2.544 -1.910) 3.201 3.806 ( 0.445 14.717 -3.512) 15.137 3.910 ( -0.144 3.381 5.414) 6.384 4.023 ( -1.406 8.060 -2.239) 8.483 4.048 ( -0.413 1.907 -0.144) 1.956 4.185 ( 0.045 5.279 3.075) 6.109 4.337 ( 7.113 15.623 -1.701) 17.250 4.456 ( 1.099 1.980 -2.699) 3.523 4.475 ( -0.421 7.504 -1.101) 7.596 4.609 ( 3.570 -0.041 1.485) 3.867 4.711 ( -2.122 8.098 -0.657) 8.397 4.787 ( 1.479 1.670 3.062) 3.789 4.890 ( -4.548 -3.165 1.357) 5.705 4.937 ( -2.831 6.472 -6.887) 9.865 5.176 ( 0.449 -0.233 8.598) 8.613 5.329 ( -0.707 -2.947 -1.072) 3.215 5.577 ( 2.271 -12.479 -7.000) 14.488 5.708 ( -0.815 1.752 0.593) 2.021 5.787 ( -1.157 2.781 0.107) 3.014 5.816 ( 0.257 -0.980 3.313) 3.465 5.926 ( 2.033 -2.305 2.355) 3.872 6.149 ( -2.103 1.155 -1.505) 2.832 6.203 ( -4.815 -0.338 1.664) 5.106 6.316 ( 0.256 2.687 -3.381) 4.326 6.389 ( 6.000 -2.029 -3.437) 7.206 6.519 ( -0.582 2.337 2.387) 3.391 6.657 ( 1.978 1.648 -4.221) 4.944 6.691 ( 1.369 -0.761 0.140) 1.573 6.754 ( 0.739 2.308 -0.526) 2.480 6.790 ( -0.527 -0.842 -1.032) 1.433 6.869 ( 2.322 -1.275 1.806) 3.206 6.975 ( -0.828 -1.278 1.153) 1.910 7.014 ( 2.981 0.028 0.667) 3.055 7.091 ( 0.580 0.413 0.504) 0.872 7.180 ( 0.393 -1.268 1.111) 1.731 7.290 ( -0.340 8.845 3.772) 9.621 7.404 ( -4.190 0.883 5.780) 7.193 7.475 ( 1.351 11.126 2.187) 11.419 7.580 ( -0.920 6.387 -0.231) 6.457 7.707 ( 0.633 -0.153 -0.956) 1.157 7.721 ( -3.076 3.550 -2.342) 5.249 7.772 ( -1.645 3.796 -2.107) 4.643 7.866 ( 0.541 5.391 4.101) 6.795 7.993 ( -0.486 4.286 -0.571) 4.351 8.148 ( -0.691 5.057 -4.046) 6.513 8.242 ( 0.688 -3.021 1.401) 3.401 8.248 ( -3.720 -4.538 0.396) 5.881 8.301 ( -2.976 -2.038 -0.271) 3.617 8.522 ( -3.530 -19.574 -6.897) 21.052 9.152 ( -0.079 -4.541 -0.994) 4.649 9.194 ( -1.938 -4.960 -0.406) 5.340 9.265 ( 0.254 -10.546 3.617) 11.152 9.545 ( -2.194 -17.352 -2.520) 17.671 12.613 ( 1.980 -1.420 -0.025) 2.436 12.641 ( -1.334 -2.512 0.134) 2.847 12.769 ( 1.419 -0.623 -0.297) 1.578 12.796 ( -0.554 -1.488 0.343) 1.625 13.099 ( 0.063 -0.967 0.126) 0.977 13.104 ( -0.049 -0.719 0.461) 0.856 13.244 ( 0.595 -3.901 0.844) 4.035 13.304 ( 0.040 -7.268 -0.605) 7.293 14.655 ( 0.770 7.946 2.146) 8.267 14.824 ( -0.485 7.584 0.384) 7.609 14.931 ( 0.667 16.118 -1.414) 16.194 14.975 ( -1.031 10.040 -2.146) 10.318 15.041 ( 1.347 8.077 1.274) 8.287 15.084 ( 0.356 -1.157 0.197) 1.227 15.156 ( 0.860 3.544 -0.040) 3.647 15.228 ( 0.488 -2.163 -0.586) 2.293 18.078 ( -0.306 -13.076 -0.296) 13.083 18.108 ( -0.584 -15.080 -0.199) 15.092 18.126 ( -0.693 -13.791 0.851) 13.835 18.187 ( -0.003 -15.796 -0.509) 15.804 18.446 ( 0.067 1.967 -0.211) 1.979 18.454 ( 0.631 2.661 0.463) 2.774 18.469 ( -1.616 1.252 -0.321) 2.069 18.500 ( -2.411 1.992 0.122) 3.130 20.718 ( -0.190 2.818 0.518) 2.872 20.762 ( 0.203 3.395 -0.910) 3.521 20.843 ( -0.194 -2.351 0.809) 2.494 20.889 ( 0.222 -1.774 -0.616) 1.891 21.152 ( 0.081 0.192 -0.029) 0.211 21.167 ( -0.062 -0.535 0.476) 0.719 21.214 ( -0.038 0.721 -0.115) 0.731 21.248 ( -0.244 -0.647 -0.466) 0.834 22.178 ( -0.692 0.969 0.617) 1.341 22.249 ( -0.216 -2.173 -2.195) 3.096 22.379 ( 0.462 -0.653 0.867) 1.180 22.405 ( -0.490 -1.509 0.397) 1.635 24.036 ( 0.087 0.250 -0.079) 0.276 24.056 ( -0.351 -0.636 -0.395) 0.826 24.162 ( 0.505 0.742 0.357) 0.966 24.177 ( 0.068 0.130 0.194) 0.243 27.051 ( 0.501 -0.547 -0.549) 0.923 27.080 ( 0.136 0.003 0.321) 0.349 27.099 ( 1.103 -2.203 1.476) 2.872 27.235 ( 0.141 -5.001 -1.117) 5.127 27.554 ( 0.007 5.032 0.280) 5.040 27.575 ( 0.306 4.598 0.281) 4.617 27.722 ( -0.165 9.295 0.116) 9.297 27.791 ( -0.322 6.222 -0.735) 6.274 33.501 ( -1.126 3.869 1.229) 4.213 33.641 ( -2.230 6.113 -1.496) 6.677 33.772 ( 0.566 -6.925 2.644) 7.434 33.872 ( -0.138 -1.386 0.240) 1.413 33.918 ( 0.089 0.282 0.025) 0.297 33.954 ( -0.537 0.810 0.543) 1.114 33.997 ( -0.314 0.159 -0.617) 0.710 34.128 ( -1.624 -11.806 -3.288) 12.362 34.662 ( -0.047 3.441 1.141) 3.626 34.765 ( -0.799 -0.210 -1.117) 1.389 35.098 ( 2.552 12.054 2.482) 12.569 35.351 ( -0.072 3.350 -2.870) 4.411 35.848 ( 3.310 -1.937 2.294) 4.469 35.956 ( 1.805 -7.605 0.427) 7.828 36.203 ( 2.130 -0.422 -1.315) 2.539 36.263 ( -0.479 -2.984 -0.719) 3.106 36.934 ( 1.018 6.110 0.817) 6.248 37.126 ( -1.141 3.030 -1.854) 3.730 37.180 ( 3.159 5.542 4.437) 7.770 37.379 ( 6.197 8.298 -1.034) 10.409 37.539 ( -7.318 5.657 -0.650) 9.272 37.629 ( -6.603 9.489 -2.499) 11.827 37.867 ( 1.328 1.592 15.116) 15.258 38.650 ( 4.167 -27.387 -11.367) 29.943 ======================= Grid point 86 (44/76) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -12.607 3.343 -4.602) 13.831 1.737 ( 5.075 -6.642 -4.535) 9.510 1.994 ( -7.361 -5.872 -0.043) 9.416 2.089 ( 5.644 -1.668 10.721) 12.231 2.173 ( 2.918 -7.694 -3.625) 8.991 2.371 ( -7.983 -4.857 -11.397) 14.738 2.558 ( -4.671 -2.504 9.965) 11.287 2.854 ( -3.398 -7.531 -5.497) 9.924 2.978 ( 0.901 -0.995 -1.665) 2.139 2.982 ( 0.059 2.204 3.815) 4.406 3.113 ( -3.711 -6.164 1.578) 7.366 3.176 ( 3.397 5.347 4.453) 7.743 3.290 ( 0.701 4.187 2.704) 5.033 3.389 ( -2.084 3.338 0.174) 3.939 3.417 ( 0.938 2.601 -3.078) 4.137 3.467 ( 6.935 2.887 4.428) 8.720 3.472 ( -2.407 6.205 -2.246) 7.025 3.582 ( 0.417 1.625 -3.484) 3.867 3.625 ( 0.061 5.774 5.147) 7.736 3.726 ( -5.033 2.166 -1.741) 5.749 3.850 ( 4.041 12.950 1.797) 13.684 3.939 ( -2.817 4.327 -4.754) 7.018 3.990 ( 2.699 8.825 3.591) 9.902 4.064 ( 0.870 -0.155 -0.605) 1.071 4.217 ( -0.438 2.745 3.899) 4.788 4.369 ( -1.839 6.941 -1.840) 7.412 4.452 ( 2.414 8.805 -8.224) 12.288 4.496 ( 3.193 7.649 -1.219) 8.378 4.635 ( -3.487 10.169 0.722) 10.775 4.707 ( 3.520 5.173 1.029) 6.341 4.777 ( -4.844 -4.101 -2.409) 6.789 4.817 ( 2.412 -2.334 -1.847) 3.831 4.907 ( -4.603 7.377 11.655) 14.541 5.192 ( -5.418 -2.947 -4.897) 7.875 5.220 ( -3.889 2.326 3.373) 5.650 5.574 ( 2.750 -8.920 -5.296) 10.732 5.702 ( -1.255 2.318 0.994) 2.817 5.773 ( 0.260 2.883 0.129) 2.897 5.936 ( 4.878 -4.170 6.668) 9.254 5.996 ( 0.255 -2.888 1.881) 3.456 6.096 ( -3.877 0.544 -3.529) 5.270 6.123 ( 1.768 0.019 -1.159) 2.114 6.280 ( -1.498 -0.177 -2.024) 2.525 6.415 ( 1.846 -3.448 -5.101) 6.428 6.519 ( -2.308 2.321 2.773) 4.291 6.654 ( 0.995 0.696 -1.747) 2.128 6.691 ( 0.073 2.526 -0.346) 2.551 6.735 ( -2.086 1.960 -2.123) 3.563 6.777 ( -2.828 -0.252 1.947) 3.442 6.873 ( -2.220 -3.756 -1.074) 4.494 6.997 ( 0.763 -0.205 4.021) 4.098 7.055 ( -1.387 -1.310 -0.967) 2.139 7.135 ( 5.330 2.966 2.261) 6.505 7.197 ( 3.724 4.022 -2.054) 5.853 7.370 ( -1.601 4.492 6.437) 8.011 7.415 ( 4.037 3.392 2.730) 5.938 7.554 ( 1.631 8.426 5.651) 10.275 7.589 ( 2.199 1.110 -0.967) 2.646 7.644 ( -1.021 3.901 -1.310) 4.240 7.744 ( 1.231 5.489 -0.905) 5.698 7.759 ( 4.296 4.968 1.897) 6.836 7.949 ( 0.234 0.019 -1.195) 1.218 8.002 ( 0.448 -1.998 -1.039) 2.296 8.030 ( -2.373 2.560 -1.296) 3.723 8.149 ( -2.569 3.469 -2.320) 4.901 8.199 ( 0.307 -1.246 -3.532) 3.758 8.292 ( -0.931 -4.449 2.715) 5.294 8.496 ( 2.635 -15.040 -5.910) 16.373 9.137 ( -1.796 -5.044 -0.426) 5.371 9.183 ( 2.496 -3.562 -0.280) 4.359 9.347 ( 3.841 -12.388 5.164) 13.960 9.492 ( -0.217 -16.864 -4.703) 17.509 12.611 ( -2.040 -1.546 -0.023) 2.560 12.645 ( 1.916 -1.997 0.113) 2.769 12.772 ( -2.565 -1.215 -0.236) 2.848 12.805 ( 1.648 -1.495 0.296) 2.245 13.091 ( -0.742 -0.846 0.139) 1.133 13.097 ( 0.129 -0.664 0.348) 0.761 13.263 ( 0.298 -4.501 1.262) 4.684 13.305 ( 0.323 -6.634 -0.934) 6.707 14.712 ( 2.409 9.002 4.093) 10.178 14.811 ( -0.599 9.673 -1.870) 9.871 14.928 ( -1.318 8.893 -1.828) 9.174 14.948 ( 1.117 14.198 -0.682) 14.258 15.065 ( -0.761 3.766 0.605) 3.890 15.074 ( -0.521 3.628 0.177) 3.669 15.174 ( 0.478 1.125 0.957) 1.553 15.189 ( -2.968 -0.486 -1.625) 3.418 18.081 ( 0.359 -14.255 0.107) 14.260 18.093 ( -0.047 -14.388 -0.711) 14.406 18.143 ( 1.405 -13.593 1.520) 13.750 18.184 ( 0.345 -14.779 -1.082) 14.822 18.441 ( -0.476 2.273 0.029) 2.323 18.462 ( 0.868 1.009 0.247) 1.354 18.477 ( 0.265 2.456 -0.594) 2.541 18.490 ( 2.584 1.531 0.384) 3.028 20.720 ( -0.158 2.896 0.650) 2.972 20.757 ( 0.177 3.325 -1.024) 3.483 20.848 ( -0.253 -2.340 0.948) 2.537 20.885 ( 0.004 -1.872 -0.774) 2.026 21.157 ( 0.302 0.253 0.346) 0.525 21.169 ( -0.086 -0.323 -0.064) 0.340 21.214 ( 0.033 0.436 0.386) 0.583 21.237 ( -0.221 -0.475 -0.803) 0.959 22.174 ( -0.482 1.067 0.633) 1.331 22.234 ( 0.651 -1.377 -1.921) 2.452 22.397 ( -0.102 -1.212 0.415) 1.285 22.407 ( 1.005 -1.662 0.564) 2.022 24.040 ( 0.317 -0.013 0.146) 0.349 24.046 ( -0.264 -0.330 -0.578) 0.716 24.172 ( 0.195 0.415 0.515) 0.690 24.175 ( -0.393 0.332 -0.005) 0.514 27.054 ( -1.047 -0.209 -0.044) 1.069 27.070 ( 0.112 0.715 -0.239) 0.762 27.137 ( 0.607 -3.564 2.615) 4.462 27.207 ( -1.452 -4.905 -2.201) 5.569 27.564 ( 0.489 5.673 0.741) 5.742 27.583 ( 0.342 5.441 -0.279) 5.459 27.726 ( 0.096 7.707 1.001) 7.772 27.764 ( -1.211 6.322 -1.524) 6.615 33.531 ( 2.621 4.386 2.391) 5.641 33.601 ( 0.292 5.377 -2.457) 5.919 33.835 ( 2.235 -5.868 3.205) 7.050 33.870 ( -0.142 -1.418 -0.394) 1.479 33.928 ( 0.408 -1.791 2.007) 2.720 33.958 ( 0.389 0.947 0.644) 1.209 33.979 ( -0.500 0.086 -1.066) 1.181 34.074 ( -0.130 -11.070 -5.038) 12.163 34.679 ( 0.498 3.637 1.874) 4.121 34.737 ( -0.749 1.913 -1.777) 2.716 35.160 ( 0.812 8.443 4.405) 9.558 35.276 ( -4.008 4.610 -4.537) 7.610 35.909 ( -0.377 -4.228 2.923) 5.154 35.942 ( -2.285 -5.747 -0.446) 6.201 36.210 ( -3.200 -1.234 -1.278) 3.660 36.230 ( 0.583 -2.128 -0.824) 2.355 36.972 ( 1.094 8.470 3.586) 9.263 37.061 ( -2.890 9.221 -2.655) 10.022 37.289 ( 2.967 7.455 2.080) 8.289 37.381 ( -3.858 11.853 -4.305) 13.188 37.485 ( -4.997 2.054 -0.812) 5.463 37.564 ( 7.773 -2.922 5.426) 9.919 37.994 ( -1.528 -0.431 12.673) 12.772 38.633 ( 6.217 -24.396 -13.032) 28.349 ======================= Grid point 87 (45/76) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -14.738 10.414 -2.290) 18.191 1.729 ( -3.626 -8.936 -1.764) 9.803 1.855 ( -8.722 -4.694 -1.580) 10.029 2.000 ( -14.822 4.903 -7.563) 17.347 2.150 ( -1.377 -11.642 -3.766) 12.313 2.332 ( 6.350 -3.253 7.523) 10.368 2.628 ( 0.228 -1.056 8.269) 8.339 2.773 ( -2.757 -7.429 3.728) 8.757 2.894 ( -8.421 -2.257 -1.888) 8.921 2.963 ( -5.492 -0.939 1.936) 5.899 3.102 ( 1.777 0.008 -1.287) 2.194 3.276 ( -2.706 8.609 1.543) 9.155 3.301 ( 1.630 5.802 -3.672) 7.057 3.341 ( -0.303 5.779 2.696) 6.384 3.404 ( -1.333 1.262 2.708) 3.272 3.479 ( -0.140 -1.464 1.918) 2.417 3.535 ( -7.703 -0.215 -4.755) 9.055 3.562 ( 3.584 1.704 -4.124) 5.723 3.609 ( 2.939 9.220 -1.039) 9.733 3.698 ( 2.106 3.215 1.617) 4.169 3.833 ( -0.236 5.644 -2.848) 6.326 3.984 ( 2.436 5.612 3.135) 6.875 4.022 ( 0.303 10.509 2.561) 10.821 4.088 ( 1.960 0.670 1.061) 2.328 4.188 ( -4.618 2.518 -0.114) 5.261 4.316 ( -0.553 3.929 -3.107) 5.039 4.396 ( -0.306 11.712 -6.431) 13.365 4.443 ( -4.363 10.581 -6.115) 12.977 4.629 ( 1.158 8.302 4.045) 9.307 4.740 ( -1.702 -3.598 1.986) 4.448 4.788 ( 3.258 3.614 4.196) 6.425 4.869 ( 1.509 -3.683 0.917) 4.084 4.920 ( -1.920 2.787 4.309) 5.479 5.051 ( -5.727 -0.966 2.561) 6.348 5.213 ( -2.360 2.384 2.486) 4.175 5.558 ( 0.164 -10.859 -5.590) 12.214 5.683 ( -2.040 2.950 2.554) 4.403 5.815 ( 3.248 2.951 1.052) 4.513 5.888 ( -4.411 0.095 -4.448) 6.265 5.997 ( -1.666 -6.296 -0.005) 6.513 6.078 ( -1.464 -2.668 2.545) 3.967 6.126 ( -5.547 -5.053 -1.225) 7.603 6.297 ( 6.919 1.917 0.145) 7.181 6.415 ( 4.072 -2.444 -2.953) 5.592 6.518 ( 0.673 3.962 0.115) 4.020 6.650 ( -1.355 -0.657 -3.049) 3.400 6.668 ( 0.124 3.460 -2.138) 4.070 6.718 ( 0.790 1.946 1.494) 2.578 6.739 ( -2.543 2.837 3.424) 5.122 6.812 ( -3.423 2.020 0.059) 3.975 7.007 ( -1.886 -1.139 -0.327) 2.227 7.040 ( 0.866 -1.786 0.228) 1.998 7.203 ( -0.201 6.228 -1.493) 6.408 7.252 ( 3.991 2.561 -2.322) 5.280 7.370 ( 0.509 5.875 0.982) 5.978 7.493 ( 1.905 5.711 -0.833) 6.078 7.563 ( -1.991 7.951 -0.044) 8.197 7.632 ( 2.050 0.934 4.195) 4.761 7.674 ( 4.329 2.051 -1.681) 5.077 7.809 ( 3.291 0.262 -0.497) 3.339 7.823 ( -0.022 0.136 -4.934) 4.936 7.867 ( 2.922 6.438 2.398) 7.466 8.003 ( 1.061 3.276 -0.155) 3.447 8.085 ( 1.596 6.933 0.453) 7.129 8.171 ( 2.986 -2.124 4.742) 5.993 8.233 ( -1.424 -8.207 2.593) 8.724 8.374 ( 12.165 -8.343 4.953) 15.560 8.449 ( -1.552 -14.477 -5.589) 15.596 9.123 ( 0.937 -2.405 0.464) 2.622 9.237 ( 3.544 -4.306 -0.260) 5.583 9.457 ( 1.801 -15.056 -5.708) 16.202 9.472 ( 5.293 -12.664 4.592) 14.473 12.576 ( -2.020 -0.308 -0.038) 2.044 12.677 ( 1.430 -3.736 -0.542) 4.037 12.712 ( -3.186 0.056 0.505) 3.226 12.812 ( -0.706 -2.740 -0.350) 2.851 13.097 ( 0.648 -0.467 0.685) 1.052 13.113 ( 0.448 0.023 0.542) 0.704 13.273 ( -0.220 -5.433 0.711) 5.484 13.286 ( -0.819 -6.132 -1.985) 6.497 14.759 ( -1.684 7.940 -4.451) 9.257 14.798 ( 3.047 10.767 3.685) 11.781 14.901 ( -0.594 8.330 -0.214) 8.353 14.953 ( -0.029 8.119 -1.245) 8.213 15.033 ( -1.594 8.366 0.021) 8.517 15.067 ( -2.023 3.193 0.203) 3.785 15.128 ( -1.963 4.529 0.076) 4.937 15.184 ( -1.378 -1.267 0.988) 2.117 18.081 ( 0.486 -12.741 -0.138) 12.751 18.114 ( 1.527 -14.664 0.594) 14.755 18.176 ( 1.210 -13.655 -0.216) 13.710 18.186 ( 1.234 -13.268 -0.676) 13.343 18.446 ( 0.937 2.908 0.095) 3.057 18.467 ( 0.503 3.254 -0.318) 3.308 18.510 ( 3.131 -0.602 -0.220) 3.196 18.547 ( 3.641 -0.369 0.487) 3.692 20.724 ( -0.108 2.956 0.707) 3.041 20.751 ( 0.207 3.202 -0.913) 3.336 20.851 ( -0.384 -2.282 0.989) 2.517 20.877 ( -0.084 -1.981 -0.770) 2.127 21.161 ( -0.332 0.252 -0.533) 0.677 21.166 ( 0.298 0.128 0.324) 0.458 21.224 ( 0.267 -0.133 1.016) 1.059 21.229 ( 0.130 -0.273 -0.693) 0.757 22.174 ( -0.325 1.144 1.111) 1.627 22.237 ( 1.379 -1.292 -1.507) 2.417 22.394 ( 0.011 -0.601 -0.201) 0.633 22.431 ( 1.059 -2.476 0.104) 2.695 24.039 ( 0.040 -0.057 -0.435) 0.441 24.048 ( 0.378 -0.327 0.347) 0.608 24.164 ( -0.667 0.628 -0.262) 0.953 24.175 ( -0.365 0.166 0.282) 0.490 27.023 ( -1.677 -0.318 0.057) 1.708 27.078 ( 0.107 0.262 0.197) 0.345 27.131 ( -2.879 -4.998 -1.193) 5.890 27.179 ( -0.418 -3.669 0.929) 3.808 27.574 ( 0.107 5.737 -0.307) 5.746 27.582 ( 0.227 5.677 -0.620) 5.716 27.721 ( -1.203 7.216 -0.047) 7.316 27.760 ( 0.935 5.677 1.489) 5.943 33.602 ( 3.775 4.472 -1.081) 5.952 33.638 ( 5.280 4.617 1.451) 7.162 33.846 ( -0.333 -2.768 -1.101) 2.997 33.888 ( 1.174 -1.357 0.265) 1.814 33.934 ( -0.931 -0.944 -1.335) 1.882 33.957 ( -0.020 -2.293 1.940) 3.004 34.021 ( 2.122 -3.269 0.087) 3.898 34.053 ( 3.240 -6.658 -0.541) 7.425 34.714 ( 0.767 3.275 1.062) 3.527 34.717 ( 0.887 3.864 -0.027) 3.965 35.146 ( -5.302 6.712 -2.901) 9.032 35.208 ( -1.261 4.848 3.546) 6.138 35.836 ( -6.216 -3.694 -1.324) 7.351 35.905 ( -5.365 -6.439 0.495) 8.396 36.136 ( -3.171 0.573 -0.505) 3.262 36.218 ( -2.357 -3.065 0.244) 3.874 36.984 ( -2.815 6.960 -3.206) 8.163 37.010 ( -1.823 8.379 4.183) 9.541 37.261 ( -3.807 11.048 -1.551) 11.788 37.300 ( -1.846 8.164 -3.515) 9.078 37.483 ( 3.464 -0.316 1.809) 3.921 37.800 ( 8.962 -5.180 11.813) 15.706 38.036 ( -3.038 0.914 6.516) 7.247 38.630 ( 9.444 -18.579 -17.751) 27.376 ======================= Grid point 88 (46/76) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -10.144 17.017 2.389) 19.955 1.563 ( -12.441 9.934 -0.797) 15.940 1.656 ( -6.174 -1.966 -5.772) 8.678 1.798 ( -9.746 -1.091 2.293) 10.071 2.072 ( -3.327 -14.507 -4.040) 15.422 2.449 ( 1.898 -6.994 -1.845) 7.478 2.644 ( -7.997 3.728 5.219) 10.251 2.743 ( -5.581 -0.121 2.975) 6.325 2.824 ( -7.566 1.622 9.252) 12.061 2.873 ( -0.547 -6.317 7.023) 9.462 3.092 ( 0.127 -0.044 -5.489) 5.490 3.142 ( -6.292 6.627 -4.332) 10.113 3.302 ( -0.634 1.845 -1.543) 2.488 3.316 ( -5.496 10.657 1.076) 12.038 3.363 ( -3.517 0.728 1.684) 3.967 3.427 ( -0.618 2.168 -0.687) 2.357 3.489 ( -1.187 -1.022 -0.150) 1.574 3.597 ( -2.155 6.554 -1.805) 7.131 3.617 ( 6.477 -4.204 -7.598) 10.833 3.767 ( 6.717 4.747 -1.137) 8.304 3.861 ( 2.995 5.358 -0.398) 6.152 3.995 ( -1.606 -3.172 -3.183) 4.772 4.028 ( -0.228 10.349 5.693) 11.813 4.115 ( 0.294 3.916 0.735) 3.995 4.209 ( 2.227 6.611 4.556) 8.332 4.285 ( -1.809 4.671 -3.416) 6.063 4.330 ( -0.208 12.646 -3.826) 13.214 4.365 ( -0.884 6.963 1.825) 7.252 4.642 ( -3.070 0.804 -5.090) 5.998 4.718 ( -6.597 -2.116 8.952) 11.319 4.827 ( 1.707 -2.799 -1.075) 3.450 4.885 ( -1.206 2.915 0.127) 3.157 4.926 ( 1.945 -0.040 4.058) 4.500 5.064 ( 2.275 1.159 -1.034) 2.755 5.189 ( -3.767 -0.651 6.019) 7.131 5.467 ( -3.559 -11.941 -6.409) 14.012 5.685 ( -2.361 3.663 6.117) 7.511 5.812 ( -0.249 1.213 -2.177) 2.504 5.881 ( 1.550 -0.497 -0.341) 1.663 5.957 ( -1.297 -4.373 -2.479) 5.191 6.032 ( -1.741 -3.343 3.958) 5.465 6.098 ( -1.201 -3.073 5.316) 6.256 6.371 ( 3.675 3.770 -3.900) 6.552 6.460 ( 2.033 1.667 -2.305) 3.496 6.535 ( 1.494 2.447 -2.188) 3.607 6.616 ( 0.202 2.303 -0.709) 2.418 6.669 ( 1.968 1.412 -1.442) 2.819 6.718 ( -1.357 2.608 4.023) 4.982 6.771 ( 0.611 2.753 1.742) 3.315 6.806 ( 1.203 3.836 1.792) 4.401 6.955 ( -2.044 -1.062 -2.125) 3.134 7.076 ( 2.197 -3.205 0.279) 3.895 7.123 ( -2.914 6.988 -5.051) 9.102 7.258 ( 1.650 -0.329 -5.631) 5.877 7.415 ( 1.534 7.784 1.265) 8.034 7.486 ( 0.346 7.928 -2.273) 8.255 7.539 ( -0.037 8.387 -0.584) 8.407 7.686 ( 0.880 1.890 -0.309) 2.108 7.721 ( 3.020 0.504 -0.758) 3.155 7.800 ( 0.410 3.106 -1.369) 3.419 7.859 ( 2.739 -2.301 0.789) 3.663 7.927 ( 2.810 4.982 1.350) 5.877 8.053 ( 2.993 4.261 1.140) 5.330 8.115 ( 0.701 4.969 -0.611) 5.056 8.197 ( -2.588 -4.303 -0.022) 5.021 8.254 ( 0.239 -2.002 3.745) 4.253 8.401 ( 2.071 -13.310 -0.870) 13.498 8.629 ( 6.368 -24.243 5.724) 25.711 9.217 ( 8.665 0.808 3.528) 9.390 9.288 ( 2.883 -4.792 -0.868) 5.660 9.447 ( 3.020 -11.456 -4.577) 12.701 9.608 ( 5.855 -11.832 3.690) 13.707 12.539 ( -2.050 0.953 -0.193) 2.268 12.658 ( -1.206 -2.969 0.008) 3.204 12.717 ( 0.387 -1.040 1.132) 1.585 12.793 ( -0.987 -3.547 0.071) 3.683 13.088 ( -2.007 -1.262 -1.465) 2.787 13.098 ( -1.615 -0.465 -1.610) 2.328 13.250 ( -0.177 -4.517 -0.842) 4.598 13.298 ( 1.386 -5.885 1.355) 6.196 14.705 ( 0.153 7.117 -2.571) 7.569 14.869 ( 2.081 9.853 0.917) 10.112 14.902 ( 1.324 7.099 0.917) 7.279 14.944 ( -1.012 8.566 0.565) 8.644 14.998 ( -2.562 8.015 -1.010) 8.475 15.030 ( -1.561 6.481 0.503) 6.685 15.110 ( -1.302 4.157 0.242) 4.363 15.140 ( -3.746 0.091 -0.540) 3.785 18.095 ( 0.547 -11.918 0.205) 11.932 18.141 ( 1.545 -13.007 0.572) 13.111 18.190 ( 0.966 -13.059 -0.994) 13.132 18.206 ( 1.498 -13.473 -0.389) 13.561 18.464 ( 1.093 4.602 -0.204) 4.734 18.487 ( 1.850 1.974 0.289) 2.720 18.561 ( 2.882 -2.043 -0.292) 3.545 18.614 ( 3.483 -1.524 0.334) 3.817 20.728 ( -0.027 2.895 0.526) 2.942 20.749 ( 0.338 3.021 -0.533) 3.086 20.851 ( -0.516 -2.156 0.900) 2.392 20.870 ( -0.026 -2.107 -0.584) 2.187 21.153 ( -0.150 0.563 -0.248) 0.633 21.172 ( 0.174 -0.155 0.114) 0.259 21.229 ( 0.416 -0.066 -0.422) 0.596 21.236 ( 0.079 -0.405 0.876) 0.968 22.183 ( -0.264 0.881 2.192) 2.377 22.253 ( 1.898 -1.742 -1.178) 2.833 22.395 ( 0.402 -0.193 -0.346) 0.565 22.439 ( 0.121 -2.371 -0.554) 2.438 24.040 ( 0.361 0.069 -0.198) 0.418 24.057 ( 0.176 -0.560 0.465) 0.749 24.150 ( -0.580 0.841 -0.443) 1.114 24.165 ( -0.862 0.213 -0.020) 0.888 27.010 ( -0.353 -1.521 0.933) 1.818 27.049 ( -3.458 -3.127 -1.708) 4.966 27.081 ( -0.728 -0.600 -0.327) 0.999 27.171 ( -1.826 -4.057 0.827) 4.525 27.570 ( 0.188 5.124 -0.584) 5.161 27.577 ( -0.184 4.823 -0.611) 4.865 27.708 ( -0.821 7.855 0.715) 7.930 27.789 ( 0.829 4.649 0.827) 4.794 33.668 ( 5.470 3.072 -1.801) 6.527 33.739 ( 4.168 3.434 0.574) 5.430 33.852 ( 2.227 -1.843 -0.135) 2.894 33.895 ( 0.408 -1.233 -0.413) 1.363 33.919 ( 0.017 0.032 -0.268) 0.271 33.982 ( 1.253 -2.135 1.125) 2.719 34.029 ( 1.851 -0.576 -1.487) 2.443 34.155 ( 4.594 -5.883 3.294) 8.159 34.709 ( 0.649 3.999 -1.415) 4.292 34.779 ( 3.159 2.566 2.517) 4.785 35.027 ( -4.870 8.554 -3.216) 10.355 35.202 ( -3.245 3.637 2.790) 5.616 35.713 ( -6.261 -2.843 -1.393) 7.016 35.768 ( -9.099 -5.070 -1.027) 10.466 36.092 ( -2.961 -0.532 0.689) 3.086 36.157 ( -5.000 -2.834 0.727) 5.793 36.923 ( -2.146 3.367 -0.710) 4.055 36.981 ( -2.343 3.181 -0.113) 3.952 37.187 ( -4.002 7.523 -1.680) 8.686 37.255 ( -1.296 6.374 -1.341) 6.642 37.568 ( 3.437 2.000 2.833) 4.882 37.940 ( -11.420 -14.507 16.730) 24.915 38.108 ( 13.188 13.538 -2.645) 19.084 38.653 ( 14.942 -8.491 -23.202) 28.874 ======================= Grid point 89 (47/76) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -4.332 21.774 8.443) 23.752 1.470 ( -3.212 7.191 8.042) 11.256 1.554 ( 0.252 13.678 -2.006) 13.827 1.655 ( -8.224 5.085 2.921) 10.101 2.003 ( -0.896 -15.828 -0.981) 15.884 2.322 ( -15.449 11.122 3.407) 19.338 2.490 ( -4.556 0.291 -3.645) 5.842 2.729 ( -1.800 -3.394 -3.809) 5.410 2.832 ( 1.557 -14.072 2.726) 14.418 2.901 ( -2.326 0.988 4.179) 4.884 3.023 ( -4.355 2.394 -4.973) 7.030 3.098 ( 2.353 0.102 5.169) 5.681 3.226 ( -4.991 4.209 -0.605) 6.557 3.261 ( -7.028 -5.219 -2.271) 9.044 3.297 ( -0.944 5.221 3.468) 6.338 3.435 ( -0.837 -0.549 1.027) 1.434 3.509 ( 3.141 10.679 1.434) 11.223 3.553 ( -1.684 0.982 3.306) 3.838 3.652 ( 7.520 -3.841 -9.514) 12.721 3.770 ( -2.853 -1.992 -12.467) 12.943 3.893 ( 6.208 5.069 -1.629) 8.178 4.001 ( 0.253 4.433 -0.399) 4.458 4.091 ( -0.932 9.607 -2.519) 9.975 4.107 ( 1.593 1.204 4.743) 5.146 4.182 ( -6.034 7.661 1.697) 9.898 4.261 ( -0.204 13.028 4.444) 13.767 4.329 ( 1.388 6.191 -1.645) 6.555 4.411 ( -1.407 -1.023 5.760) 6.017 4.498 ( -4.013 1.423 -8.169) 9.212 4.662 ( -2.337 -3.398 -0.543) 4.160 4.849 ( -0.192 0.177 3.813) 3.822 4.906 ( -0.863 2.743 -1.372) 3.186 4.961 ( 1.693 -1.664 2.030) 3.123 5.065 ( 0.264 -2.084 -3.679) 4.236 5.204 ( -0.256 -0.866 5.687) 5.758 5.392 ( 0.084 -9.077 -2.451) 9.402 5.703 ( -2.992 4.631 7.666) 9.443 5.808 ( -0.317 0.233 1.535) 1.585 5.878 ( 1.727 -3.644 -1.336) 4.248 5.961 ( -0.057 0.695 1.360) 1.528 6.049 ( -0.705 -1.640 4.112) 4.483 6.151 ( -1.381 -3.866 7.868) 8.875 6.393 ( 4.924 5.160 -6.888) 9.915 6.475 ( 1.958 2.701 -0.015) 3.336 6.530 ( 0.318 0.851 -0.756) 1.182 6.627 ( 0.934 4.177 0.561) 4.317 6.680 ( 0.585 3.108 -0.861) 3.277 6.751 ( 0.696 1.125 0.643) 1.471 6.780 ( -1.591 3.731 3.416) 5.302 6.819 ( -1.260 3.328 2.775) 4.512 6.915 ( -1.809 -0.045 -2.746) 3.289 7.018 ( -1.537 7.302 -2.139) 7.762 7.163 ( 5.285 -5.261 -2.703) 7.932 7.259 ( 4.361 -5.093 -4.594) 8.128 7.411 ( -0.638 7.766 1.765) 7.989 7.493 ( 0.968 8.826 -1.549) 9.013 7.554 ( 2.071 9.554 0.002) 9.776 7.690 ( 2.035 1.410 -3.868) 4.592 7.746 ( 0.608 3.967 -0.992) 4.134 7.796 ( -0.580 1.270 1.143) 1.804 7.901 ( -0.170 -0.557 2.237) 2.312 7.984 ( 2.397 2.253 0.694) 3.361 8.089 ( -2.365 5.281 2.606) 6.346 8.108 ( 2.345 -1.429 -2.478) 3.699 8.153 ( -0.865 -0.844 -1.292) 1.769 8.245 ( -2.905 -0.038 1.381) 3.217 8.481 ( 4.137 -14.105 0.719) 14.717 8.666 ( -2.129 -25.838 -0.985) 25.944 9.310 ( 1.496 -4.811 -2.246) 5.516 9.383 ( 5.682 -7.126 2.001) 9.331 9.506 ( 5.045 -4.189 -0.993) 6.632 9.715 ( 3.361 -11.058 2.215) 11.768 12.514 ( -0.865 2.062 0.372) 2.267 12.641 ( -1.255 -0.120 -0.737) 1.460 12.719 ( -0.509 -3.915 0.343) 3.963 12.778 ( -0.914 -5.039 -0.234) 5.126 13.048 ( -0.509 -1.871 0.023) 1.939 13.054 ( -1.114 -1.737 -0.565) 2.139 13.259 ( 0.808 -2.496 0.116) 2.626 13.327 ( 0.498 -5.403 0.324) 5.436 14.741 ( 4.412 8.651 1.299) 9.798 14.887 ( -1.016 12.698 -0.735) 12.760 14.902 ( -2.037 8.954 -0.401) 9.191 14.939 ( -0.499 0.164 0.262) 0.587 14.967 ( 0.984 8.902 1.489) 9.079 15.021 ( -1.014 5.880 0.093) 5.968 15.068 ( -2.408 2.894 -0.629) 3.817 15.081 ( -1.822 4.877 -0.619) 5.243 18.098 ( -0.019 -11.015 0.147) 11.016 18.173 ( 0.949 -12.741 -0.323) 12.780 18.201 ( 1.222 -12.028 0.146) 12.091 18.220 ( 0.737 -13.193 -0.299) 13.217 18.482 ( 0.932 5.703 0.131) 5.781 18.520 ( 1.357 0.602 0.111) 1.489 18.601 ( 1.956 -3.200 0.190) 3.755 18.661 ( 1.825 -2.026 -0.290) 2.742 20.732 ( 0.006 2.802 0.321) 2.820 20.753 ( 0.374 2.697 -0.336) 2.743 20.849 ( -0.563 -2.041 0.730) 2.240 20.867 ( 0.095 -2.163 -0.344) 2.192 21.152 ( 0.028 0.596 0.179) 0.623 21.174 ( 0.079 -0.296 -0.084) 0.317 21.234 ( 0.407 -0.029 -0.349) 0.537 21.240 ( -0.280 -0.420 0.449) 0.676 22.201 ( -0.669 0.053 3.361) 3.428 22.278 ( 2.021 -2.663 -0.838) 3.446 22.402 ( 0.674 -0.193 -0.299) 0.762 22.429 ( -0.561 -1.600 -0.630) 1.809 24.047 ( 0.539 -0.001 0.076) 0.545 24.061 ( -0.206 -0.557 0.495) 0.773 24.138 ( -0.200 0.832 -0.553) 1.019 24.149 ( -0.843 0.432 -0.238) 0.977 26.974 ( -2.505 -0.740 -0.837) 2.743 27.031 ( 0.586 -3.010 1.041) 3.239 27.071 ( -0.056 -1.059 -0.109) 1.066 27.132 ( -2.742 -4.010 -0.187) 4.861 27.572 ( 0.409 4.515 -0.054) 4.534 27.577 ( 0.408 4.626 0.724) 4.700 27.696 ( -1.194 7.591 0.120) 7.685 27.793 ( -0.046 3.814 -1.574) 4.126 33.736 ( 3.519 1.757 -0.584) 3.976 33.791 ( 2.885 0.305 -0.431) 2.933 33.900 ( 1.984 1.167 1.202) 2.597 33.907 ( -0.015 0.596 -0.576) 0.829 33.919 ( 0.569 0.336 0.287) 0.720 34.018 ( 2.241 -3.057 -0.327) 3.804 34.062 ( 2.384 2.697 0.119) 3.602 34.237 ( 2.060 -5.991 1.102) 6.430 34.715 ( 1.277 4.217 -0.422) 4.426 34.849 ( 2.528 -0.696 -0.334) 2.643 34.947 ( -1.645 10.798 -0.313) 10.927 35.147 ( -3.903 4.080 -0.323) 5.655 35.610 ( -5.144 -3.440 -1.008) 6.269 35.630 ( -5.168 -3.290 0.244) 6.131 36.041 ( -3.181 -0.675 0.499) 3.290 36.072 ( -5.166 -2.142 0.260) 5.598 36.896 ( -1.241 2.292 1.909) 3.230 36.980 ( 3.618 -1.376 -2.183) 4.444 37.088 ( -5.096 3.769 -1.160) 6.444 37.217 ( -2.189 2.379 -1.416) 3.529 37.634 ( 1.143 2.761 2.784) 4.084 37.833 ( -12.311 -5.598 8.189) 15.810 38.291 ( 7.614 12.704 0.219) 14.813 38.738 ( 19.379 -0.157 -24.653) 31.358 ======================= Grid point 90 (48/76) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -1.928 -10.748 9.579) 14.526 1.394 ( -1.928 10.748 9.579) 14.526 1.678 ( 3.827 -13.270 1.685) 13.913 1.678 ( 3.827 13.270 1.685) 13.913 2.266 ( 6.231 -16.629 7.000) 19.088 2.266 ( 6.231 16.629 7.000) 19.088 2.559 ( -6.909 -9.930 2.071) 12.273 2.559 ( -6.909 9.930 2.071) 12.273 2.733 ( 2.664 -4.450 -3.759) 6.406 2.733 ( 2.664 4.450 -3.759) 6.406 2.905 ( -4.690 -4.228 -5.689) 8.499 2.905 ( -4.690 4.228 -5.689) 8.499 3.155 ( -3.571 -2.516 -1.210) 4.533 3.155 ( -3.571 2.516 -1.210) 4.533 3.452 ( 0.571 -0.839 3.078) 3.241 3.452 ( 0.571 0.839 3.078) 3.241 3.562 ( 2.992 -5.121 -6.187) 8.571 3.562 ( 2.992 5.121 -6.187) 8.571 3.760 ( 7.132 -5.138 -1.314) 8.888 3.760 ( 7.132 5.138 -1.314) 8.888 3.948 ( -1.454 -1.348 -3.897) 4.373 3.948 ( -1.454 1.348 -3.897) 4.373 4.105 ( -5.870 -4.382 -4.374) 8.532 4.105 ( -5.870 4.382 -4.374) 8.532 4.309 ( -2.107 -5.524 5.229) 7.893 4.309 ( -2.107 5.524 5.229) 7.893 4.427 ( -1.026 -4.812 3.869) 6.259 4.427 ( -1.026 4.812 3.869) 6.259 4.592 ( 3.426 -3.854 1.255) 5.307 4.592 ( 3.426 3.854 1.255) 5.307 4.896 ( 1.174 -4.873 -9.480) 10.723 4.896 ( 1.174 4.873 -9.480) 10.723 4.973 ( -2.020 -1.812 4.272) 5.061 4.973 ( -2.020 1.812 4.272) 5.061 5.273 ( 2.098 -3.625 1.319) 4.391 5.273 ( 2.098 3.625 1.319) 4.391 5.802 ( -0.891 -3.091 3.489) 4.746 5.802 ( -0.891 3.091 3.489) 4.746 5.944 ( -1.257 -4.256 9.712) 10.678 5.944 ( -1.257 4.256 9.712) 10.678 6.064 ( -3.117 -1.986 1.024) 3.835 6.064 ( -3.117 1.986 1.024) 3.835 6.521 ( 4.316 -1.983 -1.194) 4.897 6.521 ( 4.316 1.983 -1.194) 4.897 6.644 ( 1.367 -6.036 -3.450) 7.085 6.644 ( 1.367 6.036 -3.450) 7.085 6.720 ( -0.376 -3.652 -1.877) 4.124 6.720 ( -0.376 3.652 -1.877) 4.124 6.845 ( -0.677 -2.260 3.504) 4.225 6.845 ( -0.677 2.260 3.504) 4.225 6.980 ( -1.493 -10.128 1.869) 10.407 6.980 ( -1.493 10.128 1.869) 10.407 7.175 ( 3.904 -4.730 -4.677) 7.713 7.175 ( 3.904 4.730 -4.677) 7.713 7.557 ( 0.635 -7.014 -2.166) 7.368 7.557 ( 0.635 7.014 -2.166) 7.368 7.755 ( -0.808 -7.662 1.702) 7.890 7.755 ( -0.808 7.662 1.702) 7.890 7.852 ( 1.475 -2.419 0.131) 2.836 7.852 ( 1.475 2.419 0.131) 2.836 7.943 ( -2.396 -17.231 -2.876) 17.633 7.943 ( -2.396 17.231 -2.876) 17.633 8.057 ( -0.645 -2.108 0.659) 2.301 8.057 ( -0.645 2.108 0.659) 2.301 8.211 ( 2.391 -5.449 1.481) 6.132 8.211 ( 2.391 5.449 1.481) 6.132 8.273 ( -3.048 -4.905 -1.576) 5.986 8.273 ( -3.048 4.905 -1.576) 5.986 9.312 ( 1.693 -4.149 2.321) 5.047 9.312 ( 1.693 4.149 2.321) 5.047 9.532 ( -2.621 -5.787 -3.394) 7.202 9.532 ( -2.621 5.787 -3.394) 7.202 12.582 ( -1.318 -3.198 -1.008) 3.603 12.582 ( -1.318 3.198 -1.008) 3.603 12.666 ( 0.994 -1.434 0.261) 1.764 12.666 ( 0.994 1.434 0.261) 1.764 13.060 ( 1.914 -0.837 2.432) 3.207 13.060 ( 1.914 0.837 2.432) 3.207 13.240 ( -1.197 -1.364 -1.314) 2.240 13.240 ( -1.197 1.364 -1.314) 2.240 14.888 ( -1.261 -1.428 -0.499) 1.969 14.888 ( -1.261 1.428 -0.499) 1.969 14.977 ( -0.555 -1.904 0.006) 1.983 14.977 ( -0.555 1.904 0.006) 1.983 15.078 ( 3.083 -1.768 1.752) 3.963 15.078 ( 3.083 1.768 1.752) 3.963 15.183 ( -0.934 -2.156 -0.420) 2.387 15.183 ( -0.934 2.156 -0.420) 2.387 17.988 ( -0.162 -1.878 -0.261) 1.903 17.988 ( -0.162 1.878 -0.261) 1.903 18.068 ( 0.459 -0.341 0.481) 0.747 18.068 ( 0.459 0.341 0.481) 0.747 18.568 ( 0.200 -2.318 0.444) 2.369 18.568 ( 0.200 2.318 0.444) 2.369 18.601 ( -0.338 -4.041 -0.585) 4.097 18.601 ( -0.338 4.041 -0.585) 4.097 20.788 ( -0.241 -2.010 0.260) 2.041 20.788 ( -0.241 2.010 0.260) 2.041 20.820 ( 0.191 -2.039 0.072) 2.049 20.820 ( 0.191 2.039 0.072) 2.049 21.166 ( 0.025 -0.456 0.080) 0.464 21.166 ( 0.025 0.456 0.080) 0.464 21.234 ( -0.091 -0.141 -0.175) 0.242 21.234 ( -0.091 0.141 -0.175) 0.242 22.236 ( -0.026 -2.253 0.714) 2.363 22.236 ( -0.026 2.253 0.714) 2.363 22.404 ( 0.112 -0.170 -0.381) 0.432 22.404 ( 0.112 0.170 -0.381) 0.432 24.056 ( -0.035 -0.071 0.438) 0.445 24.056 ( -0.035 0.071 0.438) 0.445 24.143 ( 0.052 -0.086 -0.571) 0.580 24.143 ( 0.052 0.086 -0.571) 0.580 26.966 ( -0.409 -1.238 -0.376) 1.357 26.966 ( -0.409 1.238 -0.376) 1.357 27.070 ( 0.403 -0.381 0.369) 0.666 27.070 ( 0.403 0.381 0.369) 0.666 27.648 ( 0.858 -0.290 1.649) 1.882 27.648 ( 0.858 0.290 1.649) 1.882 27.776 ( -0.956 -2.265 -1.877) 3.093 27.776 ( -0.956 2.265 -1.877) 3.093 33.815 ( 1.868 -1.587 1.579) 2.916 33.815 ( 1.868 1.587 1.579) 2.916 33.902 ( -1.671 -1.103 -1.777) 2.677 33.902 ( -1.671 1.103 -1.777) 2.677 33.987 ( 0.164 -2.407 0.885) 2.570 33.987 ( 0.164 2.407 0.885) 2.570 34.134 ( -1.142 -3.083 -1.372) 3.563 34.134 ( -1.142 3.083 -1.372) 3.563 34.836 ( 1.043 -2.661 0.937) 3.008 34.836 ( 1.043 2.661 0.937) 3.008 35.093 ( -0.946 -3.268 -1.374) 3.669 35.093 ( -0.946 3.268 -1.374) 3.669 35.543 ( 0.782 -1.137 0.729) 1.561 35.543 ( 0.782 1.137 0.729) 1.561 36.007 ( -0.103 -0.132 0.333) 0.373 36.007 ( -0.103 0.132 0.333) 0.373 36.982 ( 2.207 -4.171 -0.066) 4.720 36.982 ( 2.207 4.171 -0.066) 4.720 37.086 ( -1.294 -1.874 -0.434) 2.318 37.086 ( -1.294 1.874 -0.434) 2.318 37.708 ( -4.177 -2.548 4.921) 6.940 37.708 ( -4.177 2.548 4.921) 6.940 38.648 ( 4.379 -12.840 -9.148) 16.362 38.648 ( 4.379 12.840 -9.148) 16.362 ======================= Grid point 92 (49/76) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.668 -12.237 6.162) 13.717 1.436 ( -0.668 12.237 6.162) 13.717 1.797 ( 7.121 -13.843 0.479) 15.574 1.797 ( 7.121 13.843 0.479) 15.574 2.267 ( -6.693 -22.615 0.719) 23.596 2.267 ( -6.693 22.615 0.719) 23.596 2.610 ( -5.019 -7.427 -1.611) 9.108 2.610 ( -5.019 7.427 -1.611) 9.108 2.705 ( 9.672 -7.670 5.449) 13.493 2.705 ( 9.672 7.670 5.449) 13.493 2.937 ( 9.955 -4.681 -1.226) 11.069 2.937 ( 9.955 4.681 -1.226) 11.069 3.148 ( 3.398 -3.818 -0.055) 5.111 3.148 ( 3.398 3.818 -0.055) 5.111 3.434 ( -1.421 -1.835 -3.296) 4.031 3.434 ( -1.421 1.835 -3.296) 4.031 3.587 ( 2.166 -7.337 -1.802) 7.859 3.587 ( 2.166 7.337 -1.802) 7.859 3.790 ( -1.676 -2.190 -8.028) 8.488 3.790 ( -1.676 2.190 -8.028) 8.488 3.917 ( 1.762 -2.032 0.761) 2.795 3.917 ( 1.762 2.032 0.761) 2.795 4.051 ( 2.258 -0.960 1.515) 2.883 4.051 ( 2.258 0.960 1.515) 2.883 4.354 ( 0.895 -3.392 7.087) 7.908 4.354 ( 0.895 3.392 7.087) 7.908 4.447 ( 0.583 -8.241 1.375) 8.375 4.447 ( 0.583 8.241 1.375) 8.375 4.656 ( 3.418 -2.780 -0.657) 4.454 4.656 ( 3.418 2.780 -0.657) 4.454 4.805 ( -1.419 -5.293 -8.894) 10.446 4.805 ( -1.419 5.293 -8.894) 10.446 4.970 ( -3.170 -0.845 4.461) 5.538 4.970 ( -3.170 0.845 4.461) 5.538 5.306 ( 1.242 -6.329 -0.737) 6.492 5.306 ( 1.242 6.329 -0.737) 6.492 5.820 ( -0.805 -3.521 4.226) 5.559 5.820 ( -0.805 3.521 4.226) 5.559 5.972 ( -1.637 -0.495 -0.997) 1.980 5.972 ( -1.637 0.495 -0.997) 1.980 6.052 ( -2.243 -1.932 10.923) 11.317 6.052 ( -2.243 1.932 10.923) 11.317 6.552 ( 0.017 -5.820 -8.131) 9.999 6.552 ( 0.017 5.820 -8.131) 9.999 6.611 ( -0.562 -2.023 2.276) 3.096 6.611 ( -0.562 2.023 2.276) 3.096 6.724 ( 2.415 -1.858 -2.477) 3.927 6.724 ( 2.415 1.858 -2.477) 3.927 6.860 ( -2.045 -2.719 4.344) 5.517 6.860 ( -2.045 2.719 4.344) 5.517 6.958 ( -2.072 -9.054 0.526) 9.303 6.958 ( -2.072 9.054 0.526) 9.303 7.190 ( 2.565 -5.340 -6.166) 8.551 7.190 ( 2.565 5.340 -6.166) 8.551 7.523 ( -1.436 -6.035 -4.280) 7.537 7.523 ( -1.436 6.035 -4.280) 7.537 7.742 ( -2.033 -2.467 2.921) 4.330 7.742 ( -2.033 2.467 2.921) 4.330 7.877 ( 1.320 -10.094 2.077) 10.390 7.877 ( 1.320 10.094 2.077) 10.390 7.916 ( 0.205 -11.108 -1.326) 11.188 7.916 ( 0.205 11.108 -1.326) 11.188 8.031 ( -3.331 -4.067 -1.043) 5.360 8.031 ( -3.331 4.067 -1.043) 5.360 8.195 ( -1.830 -5.119 -0.147) 5.438 8.195 ( -1.830 5.119 -0.147) 5.438 8.281 ( 2.367 -4.068 1.459) 4.927 8.281 ( 2.367 4.068 1.459) 4.927 9.319 ( -3.705 -2.298 -0.062) 4.361 9.319 ( -3.705 2.298 -0.062) 4.361 9.444 ( -3.693 -1.254 0.234) 3.907 9.444 ( -3.693 1.254 0.234) 3.907 12.575 ( 0.951 -2.504 0.432) 2.713 12.575 ( 0.951 2.504 0.432) 2.713 12.681 ( 0.906 -2.043 -0.620) 2.319 12.681 ( 0.906 2.043 -0.620) 2.319 13.101 ( 0.231 -0.149 -0.351) 0.446 13.101 ( 0.231 0.149 -0.351) 0.446 13.216 ( 0.065 -0.634 0.444) 0.777 13.216 ( 0.065 0.634 0.444) 0.777 14.876 ( 0.172 -2.302 1.000) 2.516 14.876 ( 0.172 2.302 1.000) 2.516 14.977 ( -0.230 -2.703 0.036) 2.713 14.977 ( -0.230 2.703 0.036) 2.713 15.107 ( -0.077 -1.408 -1.374) 1.969 15.107 ( -0.077 1.408 -1.374) 1.969 15.187 ( 1.567 -1.340 0.670) 2.168 15.187 ( 1.567 1.340 0.670) 2.168 17.974 ( -1.245 -0.645 -0.057) 1.403 17.974 ( -1.245 0.645 -0.057) 1.403 18.068 ( -0.832 -0.446 -0.045) 0.946 18.068 ( -0.832 0.446 -0.045) 0.946 18.563 ( -1.345 -1.992 0.245) 2.416 18.563 ( -1.345 1.992 0.245) 2.416 18.582 ( -1.208 -2.264 -0.218) 2.575 18.582 ( -1.208 2.264 -0.218) 2.575 20.785 ( -0.364 -2.407 0.228) 2.445 20.785 ( -0.364 2.407 0.228) 2.445 20.826 ( 0.434 -2.453 0.049) 2.491 20.826 ( 0.434 2.453 0.049) 2.491 21.167 ( -0.053 -0.291 0.012) 0.296 21.167 ( -0.053 0.291 0.012) 0.296 21.230 ( -0.135 -0.556 -0.027) 0.573 21.230 ( -0.135 0.556 -0.027) 0.573 22.237 ( -0.535 -2.420 0.568) 2.543 22.237 ( -0.535 2.420 0.568) 2.543 22.401 ( -0.128 -0.535 -0.397) 0.678 22.401 ( -0.128 0.535 -0.397) 0.678 24.057 ( -0.254 -0.203 0.363) 0.487 24.057 ( -0.254 0.203 0.363) 0.487 24.144 ( 0.626 -0.108 -0.469) 0.789 24.144 ( 0.626 0.108 -0.469) 0.789 26.974 ( 1.570 -1.220 0.134) 1.993 26.974 ( 1.570 1.220 0.134) 1.993 27.082 ( 0.678 -1.044 -0.133) 1.252 27.082 ( 0.678 1.044 -0.133) 1.252 27.667 ( -0.467 -0.740 0.600) 1.061 27.667 ( -0.467 0.740 0.600) 1.061 27.761 ( 1.204 -1.186 -0.687) 1.824 27.761 ( 1.204 1.186 -0.687) 1.824 33.830 ( -4.230 -2.172 -2.437) 5.343 33.830 ( -4.230 2.172 -2.437) 5.343 33.861 ( 1.050 -2.547 2.266) 3.567 33.861 ( 1.050 2.547 2.266) 3.567 33.971 ( -2.467 -1.084 0.418) 2.727 33.971 ( -2.467 1.084 0.418) 2.727 34.093 ( -2.264 -0.725 0.024) 2.378 34.093 ( -2.264 0.725 0.024) 2.378 34.820 ( -3.000 -1.337 -0.391) 3.308 34.820 ( -3.000 1.337 -0.391) 3.308 35.107 ( 3.378 -2.093 -0.133) 3.976 35.107 ( 3.378 2.093 -0.133) 3.976 35.600 ( 5.000 -0.563 -0.172) 5.034 35.600 ( 5.000 0.563 -0.172) 5.034 36.045 ( 3.783 -0.702 0.422) 3.871 36.045 ( 3.783 0.702 0.422) 3.871 36.968 ( -0.495 -3.903 -1.375) 4.168 36.968 ( -0.495 3.903 -1.375) 4.168 37.173 ( 8.507 -2.131 -0.246) 8.773 37.173 ( 8.507 2.131 -0.246) 8.773 37.675 ( -5.005 -4.755 6.677) 9.604 37.675 ( -5.005 4.755 6.677) 9.604 38.561 ( -4.831 -14.168 -9.116) 17.526 38.561 ( -4.831 14.168 -9.116) 17.526 ======================= Grid point 94 (50/76) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 3.385 -12.341 2.456) 13.031 1.495 ( 3.385 12.341 2.456) 13.031 1.875 ( 5.095 -4.781 -6.119) 9.287 1.875 ( 5.095 4.781 -6.119) 9.287 2.231 ( -0.309 -12.342 1.212) 12.405 2.231 ( -0.309 12.342 1.212) 12.405 2.500 ( -1.320 -13.014 3.203) 13.468 2.500 ( -1.320 13.014 3.203) 13.468 2.919 ( 6.948 -8.211 1.004) 10.803 2.919 ( 6.948 8.211 1.004) 10.803 3.083 ( 3.509 -1.511 5.136) 6.401 3.083 ( 3.509 1.511 5.136) 6.401 3.290 ( 9.058 -6.352 -2.532) 11.349 3.290 ( 9.058 6.352 -2.532) 11.349 3.351 ( -2.124 -2.226 0.418) 3.105 3.351 ( -2.124 2.226 0.418) 3.105 3.567 ( -1.990 -5.780 -2.791) 6.720 3.567 ( -1.990 5.780 -2.791) 6.720 3.711 ( 1.708 -0.918 -6.686) 6.961 3.711 ( 1.708 0.918 -6.686) 6.961 3.967 ( 2.384 -6.057 1.645) 6.714 3.967 ( 2.384 6.057 1.645) 6.714 4.137 ( 2.726 -5.988 4.535) 7.991 4.137 ( 2.726 5.988 4.535) 7.991 4.379 ( -4.422 -5.936 2.930) 7.961 4.379 ( -4.422 5.936 2.930) 7.961 4.526 ( 5.771 -16.152 2.836) 17.385 4.526 ( 5.771 16.152 2.836) 17.385 4.677 ( 1.097 -7.470 -5.503) 9.343 4.677 ( 1.097 7.470 -5.503) 9.343 4.738 ( 2.678 -3.619 -4.072) 6.071 4.738 ( 2.678 3.619 -4.072) 6.071 4.970 ( -0.265 -3.559 5.055) 6.188 4.970 ( -0.265 3.559 5.055) 6.188 5.307 ( 0.799 -11.396 -2.436) 11.681 5.307 ( 0.799 11.396 -2.436) 11.681 5.839 ( -0.936 -2.279 1.542) 2.906 5.839 ( -0.936 2.279 1.542) 2.906 5.924 ( -3.147 -3.208 2.046) 4.938 5.924 ( -3.147 3.208 2.046) 4.938 6.143 ( 2.405 -4.052 7.802) 9.114 6.143 ( 2.405 4.052 7.802) 9.114 6.406 ( -5.943 -2.442 -8.415) 10.588 6.406 ( -5.943 2.442 -8.415) 10.588 6.628 ( -0.901 -1.665 -0.269) 1.912 6.628 ( -0.901 1.665 -0.269) 1.912 6.753 ( 2.737 -1.509 0.046) 3.126 6.753 ( 2.737 1.509 0.046) 3.126 6.856 ( -1.309 -2.467 2.137) 3.516 6.856 ( -1.309 2.467 2.136) 3.516 6.919 ( -2.506 -9.797 -0.453) 10.123 6.919 ( -2.506 9.797 -0.453) 10.123 7.153 ( 0.448 -2.916 -6.739) 7.357 7.153 ( 0.448 2.916 -6.739) 7.357 7.459 ( -1.965 -3.351 -1.883) 4.317 7.459 ( -1.965 3.351 -1.883) 4.317 7.744 ( -1.451 -1.844 3.136) 3.917 7.744 ( -1.451 1.844 3.136) 3.917 7.865 ( -2.097 -4.805 -4.726) 7.059 7.865 ( -2.097 4.805 -4.726) 7.059 7.928 ( -2.404 -7.203 2.097) 7.878 7.928 ( -2.404 7.203 2.097) 7.878 7.993 ( 1.591 -9.951 3.396) 10.634 7.993 ( 1.591 9.951 3.396) 10.634 8.183 ( -0.660 -3.832 0.659) 3.944 8.183 ( -0.660 3.832 0.659) 3.944 8.326 ( 1.519 -4.572 1.293) 4.989 8.326 ( 1.519 4.572 1.293) 4.989 9.218 ( -5.531 -5.643 -1.452) 8.034 9.218 ( -5.531 5.643 -1.452) 8.034 9.399 ( -4.596 -6.956 2.402) 8.676 9.399 ( -4.596 6.956 2.402) 8.676 12.597 ( 0.452 -4.534 0.236) 4.563 12.597 ( 0.452 4.534 0.236) 4.563 12.707 ( 2.758 -3.971 0.272) 4.843 12.707 ( 2.758 3.971 0.272) 4.843 13.073 ( -0.875 -0.775 -1.869) 2.204 13.073 ( -0.875 0.775 -1.869) 2.204 13.233 ( 0.062 -1.781 0.651) 1.897 13.233 ( 0.062 1.781 0.651) 1.897 14.876 ( -2.345 -4.038 -1.620) 4.942 14.876 ( -2.345 4.038 -1.620) 4.942 14.971 ( 1.489 -3.146 1.627) 3.842 14.971 ( 1.489 3.146 1.627) 3.842 15.128 ( 3.003 -1.729 0.041) 3.465 15.128 ( 3.003 1.729 0.041) 3.465 15.206 ( 0.449 -1.116 -0.284) 1.236 15.206 ( 0.449 1.116 -0.284) 1.236 17.951 ( -1.516 -1.008 0.322) 1.849 17.951 ( -1.516 1.008 0.322) 1.849 18.038 ( -2.160 -1.009 -0.777) 2.507 18.038 ( -2.160 1.009 -0.777) 2.507 18.531 ( -2.007 -1.299 -0.172) 2.397 18.531 ( -2.007 1.299 -0.172) 2.397 18.559 ( -1.725 -2.552 0.388) 3.105 18.559 ( -1.725 2.552 0.388) 3.105 20.781 ( -0.317 -2.672 0.250) 2.702 20.781 ( -0.317 2.672 0.250) 2.702 20.834 ( 0.469 -2.656 -0.115) 2.700 20.834 ( 0.469 2.656 -0.115) 2.700 21.164 ( -0.239 -0.199 -0.112) 0.331 21.164 ( -0.239 0.199 -0.112) 0.331 21.230 ( 0.037 -0.901 0.195) 0.923 21.230 ( 0.037 0.901 0.195) 0.923 22.229 ( -0.726 -2.370 0.179) 2.485 22.229 ( -0.726 2.370 0.179) 2.485 22.393 ( -0.476 -0.692 -0.270) 0.882 22.393 ( -0.476 0.692 -0.270) 0.882 24.054 ( -0.332 -0.432 0.139) 0.562 24.054 ( -0.332 0.432 0.139) 0.562 24.154 ( 0.795 -0.291 -0.191) 0.868 24.154 ( 0.795 0.291 -0.191) 0.868 27.010 ( 2.104 -2.014 0.011) 2.912 27.010 ( 2.104 2.014 0.011) 2.912 27.094 ( 1.137 -2.167 -0.008) 2.447 27.094 ( 1.137 2.167 -0.008) 2.447 27.645 ( -1.193 -1.020 -1.172) 1.959 27.645 ( -1.193 1.020 -1.172) 1.959 27.800 ( 2.189 -0.825 1.348) 2.700 27.800 ( 2.189 0.825 1.348) 2.700 33.727 ( -5.081 -3.293 -1.823) 6.323 33.727 ( -5.081 3.293 -1.823) 6.323 33.877 ( -1.856 -2.784 1.167) 3.544 33.877 ( -1.856 2.784 1.167) 3.544 33.931 ( -1.154 -1.174 0.023) 1.646 33.931 ( -1.154 1.174 0.023) 1.646 34.064 ( -2.186 -2.781 1.293) 3.766 34.064 ( -2.186 2.781 1.293) 3.766 34.762 ( -2.464 -2.401 -0.640) 3.499 34.762 ( -2.464 2.401 -0.640) 3.499 35.187 ( 5.030 -5.092 1.053) 7.235 35.187 ( 5.030 5.092 1.053) 7.235 35.689 ( 5.885 -1.545 -1.198) 6.201 35.689 ( 5.885 1.545 -1.198) 6.201 36.123 ( 4.432 -1.293 0.286) 4.626 36.123 ( 4.432 1.293 0.286) 4.626 36.967 ( 2.202 -3.183 -2.614) 4.671 36.967 ( 2.202 3.183 -2.614) 4.671 37.297 ( 5.523 -1.706 -0.913) 5.852 37.297 ( 5.523 1.706 -0.913) 5.852 37.685 ( -2.211 -6.005 10.982) 12.710 37.685 ( -2.211 6.005 10.982) 12.710 38.354 ( -8.669 -16.541 -9.842) 21.110 38.354 ( -8.669 16.541 -9.842) 21.110 ======================= Grid point 96 (51/76) ======================= q-point: ( 0.33 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 5.333 -8.000 -1.375) 9.713 1.580 ( 5.333 8.000 -1.375) 9.713 1.902 ( 4.949 -5.595 -5.041) 9.012 1.902 ( 4.949 5.595 -5.041) 9.012 2.224 ( 0.460 -14.520 -2.189) 14.692 2.224 ( 0.460 14.520 -2.189) 14.692 2.615 ( 3.677 -7.914 10.718) 13.821 2.615 ( 3.677 7.914 10.718) 13.821 2.985 ( 1.692 -3.987 -0.203) 4.336 2.985 ( 1.692 3.987 -0.203) 4.336 3.172 ( -2.249 -2.213 -4.093) 5.168 3.172 ( -2.249 2.213 -4.093) 5.168 3.211 ( 2.823 -3.195 4.524) 6.216 3.211 ( 2.823 3.195 4.524) 6.216 3.432 ( -1.230 -2.452 -1.800) 3.281 3.432 ( -1.230 2.452 -1.800) 3.281 3.587 ( 6.772 -3.718 1.151) 7.811 3.587 ( 6.772 3.718 1.151) 7.811 3.686 ( -0.846 -3.020 -2.776) 4.189 3.686 ( -0.846 3.020 -2.776) 4.189 3.996 ( -0.861 -6.387 0.597) 6.473 3.996 ( -0.861 6.387 0.597) 6.473 4.193 ( 0.291 -8.931 -0.532) 8.951 4.193 ( 0.291 8.931 -0.532) 8.951 4.316 ( -2.527 -6.304 2.630) 7.283 4.316 ( -2.527 6.304 2.630) 7.283 4.571 ( -2.165 -6.068 -0.036) 6.443 4.571 ( -2.165 6.068 -0.036) 6.443 4.674 ( 3.884 -3.904 -2.477) 6.038 4.674 ( 3.884 3.904 -2.477) 6.038 4.786 ( 3.337 -4.207 -1.163) 5.494 4.786 ( 3.337 4.207 -1.163) 5.494 5.087 ( 7.602 -5.530 5.951) 11.125 5.087 ( 7.602 5.530 5.951) 11.125 5.292 ( 0.227 -15.628 -3.626) 16.045 5.292 ( 0.227 15.628 -3.626) 16.045 5.797 ( -3.086 -2.417 -1.271) 4.120 5.797 ( -3.086 2.417 -1.271) 4.120 5.900 ( -2.922 -2.365 2.133) 4.322 5.900 ( -2.922 2.365 2.133) 4.322 6.221 ( -1.991 -1.258 2.577) 3.490 6.221 ( -1.991 1.258 2.577) 3.490 6.299 ( 3.521 -1.921 -3.753) 5.493 6.299 ( 3.521 1.921 -3.753) 5.493 6.608 ( -0.027 -3.831 -0.188) 3.836 6.608 ( -0.027 3.831 -0.188) 3.836 6.760 ( -1.656 -2.907 -1.872) 3.834 6.760 ( -1.656 2.907 -1.872) 3.834 6.843 ( 0.083 -2.606 -3.618) 4.460 6.843 ( 0.083 2.606 -3.618) 4.460 6.919 ( 1.048 -4.677 4.788) 6.775 6.919 ( 1.048 4.677 4.788) 6.775 7.113 ( 0.124 -1.046 -2.292) 2.523 7.113 ( 0.124 1.046 -2.292) 2.523 7.429 ( -2.530 -2.524 3.014) 4.676 7.429 ( -2.530 2.524 3.014) 4.676 7.715 ( -3.693 -3.406 -0.231) 5.029 7.715 ( -3.693 3.406 -0.231) 5.029 7.784 ( -2.034 -0.416 -3.587) 4.145 7.784 ( -2.034 0.416 -3.587) 4.145 7.920 ( 0.382 -10.303 1.627) 10.437 7.920 ( 0.382 10.303 1.627) 10.437 8.040 ( -0.419 -7.593 2.456) 7.992 8.040 ( -0.419 7.593 2.456) 7.992 8.190 ( 0.202 -2.417 1.137) 2.678 8.190 ( 0.202 2.417 1.137) 2.678 8.342 ( -0.235 -3.795 -0.856) 3.898 8.342 ( -0.235 3.795 -0.856) 3.898 9.128 ( -3.774 -2.516 -0.492) 4.562 9.128 ( -3.774 2.516 -0.492) 4.562 9.322 ( -5.337 -8.022 0.271) 9.639 9.322 ( -5.337 8.022 0.271) 9.639 12.599 ( 0.220 -2.810 -0.221) 2.827 12.599 ( 0.220 2.810 -0.221) 2.827 12.752 ( 1.533 -2.154 0.100) 2.646 12.752 ( 1.533 2.154 0.100) 2.646 13.070 ( 1.270 -0.400 0.491) 1.419 13.070 ( 1.270 0.400 0.491) 1.419 13.222 ( -0.929 -1.834 -0.582) 2.137 13.222 ( -0.929 1.834 -0.582) 2.137 14.812 ( -1.999 -5.937 -1.253) 6.388 14.812 ( -1.999 5.937 -1.253) 6.388 15.026 ( 2.031 -1.127 0.655) 2.413 15.026 ( 2.031 1.127 0.655) 2.413 15.178 ( 2.236 -0.444 0.384) 2.312 15.178 ( 2.236 0.444 0.384) 2.312 15.210 ( 0.541 -0.562 -0.194) 0.804 15.210 ( 0.541 0.562 -0.194) 0.804 17.931 ( -1.237 -1.142 0.354) 1.720 17.931 ( -1.237 1.142 0.354) 1.720 17.993 ( -2.012 -1.638 -0.512) 2.645 17.993 ( -2.012 1.638 -0.512) 2.645 18.499 ( -1.566 -1.035 -0.162) 1.884 18.499 ( -1.566 1.035 -0.162) 1.884 18.530 ( -1.803 -2.362 0.231) 2.980 18.530 ( -1.803 2.362 0.231) 2.980 20.779 ( -0.210 -2.786 0.358) 2.817 20.779 ( -0.210 2.786 0.358) 2.817 20.838 ( 0.351 -2.788 -0.392) 2.837 20.838 ( 0.351 2.788 -0.392) 2.837 21.158 ( -0.256 -0.255 0.007) 0.361 21.158 ( -0.256 0.255 0.007) 0.361 21.233 ( 0.079 -0.948 0.051) 0.952 21.233 ( 0.079 0.948 0.051) 0.952 22.217 ( -0.603 -2.064 -0.254) 2.166 22.217 ( -0.603 2.064 -0.254) 2.166 22.383 ( -0.496 -0.863 0.104) 1.001 22.383 ( -0.496 0.863 0.104) 1.001 24.049 ( -0.262 -0.593 -0.100) 0.656 24.049 ( -0.262 0.593 -0.100) 0.656 24.165 ( 0.591 -0.457 0.097) 0.753 24.165 ( 0.591 0.457 0.097) 0.753 27.035 ( 1.163 -0.442 -0.358) 1.294 27.035 ( 1.163 0.442 -0.358) 1.294 27.122 ( 1.513 -3.565 0.357) 3.889 27.122 ( 1.513 3.565 0.357) 3.889 27.621 ( -0.526 -0.685 -0.515) 1.005 27.621 ( -0.526 0.685 -0.515) 1.005 27.839 ( 1.118 -1.371 0.665) 1.890 27.839 ( 1.118 1.371 0.665) 1.890 33.643 ( -3.461 -5.227 -0.104) 6.270 33.643 ( -3.461 5.227 -0.104) 6.270 33.833 ( -2.694 -4.707 -0.383) 5.437 33.833 ( -2.694 4.707 -0.383) 5.437 33.933 ( 0.402 -1.804 0.166) 1.856 33.933 ( 0.402 1.804 0.166) 1.856 34.033 ( -2.355 -2.855 0.225) 3.708 34.033 ( -2.355 2.855 0.225) 3.708 34.735 ( -0.827 -2.941 0.348) 3.075 34.735 ( -0.827 2.941 0.348) 3.075 35.276 ( 4.124 -7.308 0.476) 8.405 35.276 ( 4.124 7.308 0.476) 8.405 35.773 ( 4.858 -2.143 -0.400) 5.325 35.773 ( 4.858 2.143 -0.400) 5.325 36.187 ( 2.962 -1.667 -0.297) 3.412 36.187 ( 2.962 1.667 -0.297) 3.412 36.993 ( 2.708 -3.445 -0.681) 4.434 36.993 ( 2.708 3.445 -0.681) 4.434 37.342 ( 1.276 -3.178 -0.208) 3.431 37.342 ( 1.276 3.178 -0.208) 3.431 37.766 ( -2.208 -1.474 11.127) 11.439 37.766 ( -2.208 1.474 11.127) 11.439 38.139 ( -4.393 -22.434 -10.415) 25.121 38.139 ( -4.393 22.434 -10.415) 25.121 ======================= Grid point 98 (52/76) ======================= q-point: ( 0.44 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.965 -3.227 -3.500) 5.609 1.633 ( 2.965 3.227 -3.500) 5.609 1.963 ( 4.735 -5.590 -1.025) 7.397 1.963 ( 4.735 5.590 -1.025) 7.397 2.202 ( -0.960 -12.708 -2.232) 12.938 2.202 ( -0.960 12.708 -2.232) 12.938 2.709 ( -2.501 -9.106 5.641) 10.999 2.709 ( -2.501 9.106 5.641) 10.999 3.007 ( 0.108 -4.366 2.074) 4.835 3.007 ( 0.108 4.366 2.074) 4.835 3.088 ( -0.441 -5.098 -3.581) 6.246 3.088 ( -0.441 5.098 -3.581) 6.246 3.323 ( 0.887 -0.959 3.043) 3.312 3.323 ( 0.887 0.959 3.043) 3.312 3.430 ( 3.538 -5.166 2.863) 6.885 3.430 ( 3.538 5.166 2.863) 6.885 3.597 ( -2.130 -0.956 -3.973) 4.608 3.597 ( -2.130 0.956 -3.973) 4.608 3.719 ( 2.635 -3.326 2.389) 4.870 3.719 ( 2.635 3.326 2.389) 4.870 3.967 ( -0.651 -3.258 -0.723) 3.400 3.967 ( -0.651 3.258 -0.723) 3.400 4.130 ( -3.927 -3.963 -2.912) 6.293 4.130 ( -3.927 3.963 -2.912) 6.293 4.382 ( 4.899 -9.763 3.734) 11.544 4.382 ( 4.899 9.763 3.734) 11.544 4.522 ( -2.835 -4.161 0.198) 5.039 4.522 ( -2.835 4.161 0.198) 5.039 4.718 ( 2.094 -5.360 -0.373) 5.767 4.718 ( 2.094 5.360 -0.373) 5.767 4.810 ( 1.125 -4.494 -2.004) 5.048 4.810 ( 1.125 4.494 -2.004) 5.048 5.196 ( -4.495 -9.640 0.531) 10.649 5.196 ( -4.495 9.640 0.531) 10.650 5.292 ( 6.687 -12.172 -1.168) 13.937 5.292 ( 6.687 12.172 -1.168) 13.937 5.763 ( -0.465 -2.835 2.144) 3.584 5.763 ( -0.465 2.835 2.144) 3.584 5.872 ( -1.128 -3.195 1.353) 3.648 5.872 ( -1.128 3.195 1.353) 3.648 6.183 ( -2.534 -1.851 -0.756) 3.228 6.183 ( -2.534 1.851 -0.756) 3.228 6.343 ( 2.779 -1.496 -4.758) 5.709 6.343 ( 2.779 1.496 -4.758) 5.709 6.615 ( -0.510 -5.188 1.063) 5.320 6.615 ( -0.510 5.188 1.063) 5.320 6.730 ( 2.074 -3.870 -3.301) 5.493 6.730 ( 2.074 3.870 -3.301) 5.493 6.817 ( -0.674 -2.706 -1.106) 3.000 6.817 ( -0.674 2.706 -1.106) 3.000 6.971 ( 0.327 -1.473 3.562) 3.869 6.971 ( 0.327 1.473 3.562) 3.869 7.128 ( 1.234 -2.860 2.536) 4.017 7.128 ( 1.234 2.860 2.536) 4.017 7.427 ( -1.456 -1.722 5.769) 6.194 7.427 ( -1.456 1.722 5.769) 6.194 7.643 ( -2.443 -0.702 -2.394) 3.491 7.643 ( -2.443 0.702 -2.394) 3.491 7.761 ( 1.530 -1.566 -0.532) 2.253 7.761 ( 1.530 1.566 -0.532) 2.253 7.920 ( -1.829 -14.058 -2.395) 14.378 7.920 ( -1.829 14.058 -2.395) 14.378 8.035 ( -1.273 -5.322 0.722) 5.519 8.035 ( -1.273 5.322 0.722) 5.519 8.188 ( -0.970 -4.525 0.344) 4.641 8.188 ( -0.970 4.526 0.344) 4.641 8.316 ( -0.374 -2.240 -2.411) 3.312 8.316 ( -0.374 2.240 -2.411) 3.312 9.093 ( -0.463 -1.724 1.007) 2.050 9.093 ( -0.463 1.724 1.007) 2.050 9.246 ( -2.711 -8.239 -1.390) 8.784 9.246 ( -2.711 8.239 -1.390) 8.784 12.604 ( 0.266 -0.848 0.018) 0.889 12.604 ( 0.266 0.848 0.018) 0.889 12.766 ( 0.553 -0.825 0.009) 0.993 12.766 ( 0.553 0.825 0.009) 0.993 13.092 ( -0.086 -0.303 0.480) 0.574 13.092 ( -0.086 0.303 0.480) 0.574 13.211 ( 0.313 -1.134 0.024) 1.176 13.211 ( 0.313 1.134 0.024) 1.176 14.805 ( 0.871 -5.961 1.802) 6.288 14.805 ( 0.871 5.961 1.802) 6.288 15.032 ( -0.400 -1.065 -2.179) 2.458 15.032 ( -0.400 1.065 -2.179) 2.458 15.204 ( 0.571 -1.573 -0.136) 1.679 15.204 ( 0.571 1.573 -0.136) 1.679 15.220 ( 0.403 -0.691 0.341) 0.870 15.220 ( 0.403 0.691 0.341) 0.870 17.912 ( -0.855 -0.815 -0.381) 1.241 17.912 ( -0.855 0.815 -0.381) 1.241 17.973 ( -0.330 -1.556 0.593) 1.698 17.973 ( -0.330 1.556 0.593) 1.698 18.479 ( -0.572 -0.656 -0.180) 0.888 18.479 ( -0.572 0.656 -0.180) 0.888 18.508 ( -0.836 -1.199 0.064) 1.463 18.508 ( -0.836 1.199 0.064) 1.463 20.780 ( -0.139 -2.787 0.500) 2.835 20.780 ( -0.139 2.787 0.500) 2.835 20.838 ( 0.166 -2.827 -0.648) 2.906 20.838 ( 0.166 2.827 -0.648) 2.906 21.157 ( 0.006 -0.323 0.316) 0.452 21.157 ( 0.006 0.323 0.316) 0.452 21.232 ( -0.108 -0.833 -0.330) 0.903 21.232 ( -0.108 0.833 -0.330) 0.903 22.207 ( -0.235 -1.697 -0.464) 1.775 22.207 ( -0.235 1.697 -0.464) 1.775 22.380 ( -0.141 -0.705 0.410) 0.828 22.380 ( -0.141 0.705 0.410) 0.828 24.044 ( -0.123 -0.495 -0.250) 0.568 24.044 ( -0.123 0.495 -0.250) 0.568 24.174 ( 0.253 -0.387 0.283) 0.542 24.174 ( 0.253 0.387 0.283) 0.542 27.053 ( 0.992 -0.947 0.644) 1.515 27.053 ( 0.992 0.947 0.644) 1.515 27.136 ( 0.020 -3.872 -0.656) 3.928 27.136 ( 0.020 3.872 -0.656) 3.928 27.620 ( 0.320 -0.636 0.609) 0.937 27.620 ( 0.320 0.636 0.609) 0.937 27.845 ( -0.267 -1.614 -0.692) 1.776 27.845 ( -0.267 1.614 -0.692) 1.776 33.616 ( -0.607 -6.733 1.819) 7.001 33.616 ( -0.607 6.733 1.819) 7.001 33.793 ( -1.119 -7.024 -1.154) 7.206 33.793 ( -1.119 7.024 -1.154) 7.206 33.937 ( 0.101 -2.106 -0.396) 2.146 33.937 ( 0.101 2.106 -0.396) 2.146 33.996 ( -1.334 -0.920 -0.738) 1.780 33.996 ( -1.334 0.920 -0.738) 1.780 34.732 ( -0.210 -2.724 0.756) 2.835 34.732 ( -0.210 2.724 0.756) 2.835 35.318 ( 0.996 -6.897 -1.026) 7.044 35.318 ( 0.996 6.897 -1.026) 7.044 35.841 ( 2.462 -2.302 1.201) 3.578 35.841 ( 2.462 2.302 1.201) 3.578 36.214 ( 0.857 -1.511 -0.969) 1.989 36.214 ( 0.857 1.511 -0.969) 1.989 37.056 ( 3.116 -5.497 3.960) 7.457 37.056 ( 3.116 5.497 3.960) 7.457 37.359 ( 0.633 -6.618 1.040) 6.729 37.359 ( 0.633 6.618 1.040) 6.729 37.715 ( -8.683 -5.220 -0.533) 10.145 37.715 ( -8.683 5.220 -0.533) 10.145 38.090 ( 4.521 -22.369 -2.875) 23.002 38.090 ( 4.521 22.369 -2.875) 23.002 ======================= Grid point 100 (53/76) ======================= q-point: (-0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -2.951 -5.082 -3.443) 6.811 1.603 ( -2.951 5.082 -3.443) 6.811 1.989 ( -0.571 -6.095 -4.682) 7.707 1.989 ( -0.571 6.095 -4.682) 7.707 2.193 ( 0.109 -9.065 4.360) 10.059 2.193 ( 0.109 9.065 4.360) 10.059 2.647 ( -5.742 -9.282 -0.107) 10.915 2.647 ( -5.742 9.282 -0.107) 10.915 2.981 ( -3.517 -1.943 -0.029) 4.018 2.981 ( -3.517 1.943 -0.029) 4.018 3.125 ( 3.482 -5.872 3.600) 7.718 3.125 ( 3.482 5.872 3.600) 7.718 3.361 ( 1.986 -2.477 2.121) 3.818 3.361 ( 1.986 2.477 2.121) 3.818 3.484 ( 0.783 -1.662 -0.908) 2.050 3.484 ( 0.783 1.662 -0.908) 2.050 3.585 ( 1.631 -1.881 -0.334) 2.512 3.585 ( 1.631 1.881 -0.334) 2.512 3.713 ( -4.183 -2.114 1.592) 4.950 3.713 ( -4.183 2.114 1.592) 4.950 3.983 ( 0.454 -2.276 -1.641) 2.842 3.983 ( 0.454 2.276 -1.641) 2.842 4.054 ( -0.017 -3.684 -1.134) 3.854 4.054 ( -0.017 3.684 -1.134) 3.854 4.466 ( -2.313 -3.513 1.912) 4.620 4.466 ( -2.313 3.513 1.912) 4.620 4.522 ( 4.788 -8.385 1.300) 9.743 4.522 ( 4.788 8.385 1.300) 9.743 4.734 ( 0.219 -3.543 0.315) 3.564 4.734 ( 0.219 3.543 0.315) 3.564 4.787 ( -0.176 -2.222 -4.140) 4.702 4.787 ( -0.176 2.222 -4.140) 4.702 5.075 ( -7.896 -7.462 0.804) 10.894 5.075 ( -7.896 7.462 0.804) 10.894 5.366 ( 1.802 -9.825 -0.775) 10.019 5.366 ( 1.802 9.825 -0.775) 10.019 5.786 ( -0.566 -4.373 2.673) 5.156 5.786 ( -0.566 4.373 2.673) 5.156 5.905 ( 1.202 -4.257 2.809) 5.240 5.905 ( 1.202 4.257 2.809) 5.240 6.120 ( -2.003 -0.853 -3.114) 3.799 6.120 ( -2.003 0.853 -3.114) 3.799 6.309 ( -0.118 -4.245 -4.137) 5.928 6.309 ( -0.118 4.245 -4.137) 5.928 6.605 ( -0.989 -4.488 0.166) 4.599 6.605 ( -0.989 4.488 0.166) 4.599 6.746 ( 1.186 -1.750 -1.851) 2.810 6.746 ( 1.186 1.750 -1.851) 2.810 6.795 ( -0.744 -1.865 -0.501) 2.070 6.795 ( -0.744 1.865 -0.501) 2.070 7.006 ( -0.066 -1.811 2.576) 3.150 7.006 ( -0.066 1.811 2.576) 3.150 7.192 ( 3.806 -2.250 2.745) 5.204 7.192 ( 3.806 2.250 2.745) 5.204 7.496 ( 2.078 -3.021 6.957) 7.864 7.496 ( 2.078 3.021 6.957) 7.864 7.612 ( 1.380 -5.761 -1.578) 6.131 7.612 ( 1.380 5.761 -1.578) 6.131 7.792 ( 0.977 -9.453 -2.983) 9.961 7.792 ( 0.977 9.453 -2.983) 9.961 7.840 ( -0.578 -2.607 -2.740) 3.826 7.840 ( -0.578 2.607 -2.740) 3.826 8.019 ( -1.279 -6.494 0.655) 6.651 8.019 ( -1.279 6.494 0.655) 6.651 8.180 ( -0.391 -2.682 1.105) 2.927 8.180 ( -0.391 2.682 1.105) 2.927 8.294 ( 0.074 -4.735 -2.810) 5.507 8.294 ( 0.074 4.735 -2.810) 5.507 9.120 ( 1.539 -4.307 1.712) 4.884 9.120 ( 1.539 4.307 1.712) 4.884 9.217 ( 1.550 -5.740 -2.082) 6.299 9.217 ( 1.550 5.740 -2.082) 6.299 12.605 ( -0.101 -1.170 0.006) 1.174 12.605 ( -0.101 1.170 0.006) 1.174 12.770 ( -0.598 -1.176 0.016) 1.319 12.770 ( -0.598 1.176 0.016) 1.319 13.086 ( -0.101 -0.317 0.425) 0.539 13.086 ( -0.101 0.317 0.425) 0.539 13.222 ( 0.291 -0.925 0.072) 0.973 13.222 ( 0.291 0.925 0.072) 0.973 14.861 ( 2.328 -4.821 3.762) 6.543 14.861 ( 2.328 4.821 3.762) 6.543 14.979 ( -2.413 -2.986 -4.140) 5.646 14.979 ( -2.413 2.986 -4.140) 5.646 15.197 ( -0.992 -0.778 -0.080) 1.263 15.197 ( -0.992 0.778 -0.080) 1.263 15.226 ( -0.071 -0.270 0.293) 0.405 15.226 ( -0.071 0.270 0.293) 0.405 17.904 ( 0.401 -0.454 -0.257) 0.658 17.904 ( 0.401 0.454 -0.257) 0.658 17.986 ( 1.107 -1.101 0.471) 1.630 17.986 ( 1.107 1.101 0.471) 1.630 18.478 ( 0.640 -0.486 -0.176) 0.823 18.478 ( 0.640 0.486 -0.176) 0.823 18.506 ( 0.613 -0.334 0.059) 0.701 18.506 ( 0.613 0.334 0.059) 0.701 20.783 ( -0.119 -2.667 0.590) 2.734 20.783 ( -0.119 2.667 0.590) 2.734 20.833 ( -0.006 -2.690 -0.738) 2.789 20.833 ( -0.006 2.690 -0.738) 2.789 21.163 ( 0.158 -0.258 0.371) 0.478 21.163 ( 0.158 0.258 0.371) 0.478 21.225 ( -0.125 -0.604 -0.385) 0.727 21.225 ( -0.125 0.604 -0.385) 0.727 22.202 ( 0.169 -1.529 -0.439) 1.600 22.202 ( 0.169 1.529 -0.439) 1.600 22.385 ( 0.313 -0.261 0.385) 0.561 22.385 ( 0.313 0.261 0.385) 0.561 24.041 ( 0.047 -0.141 -0.237) 0.280 24.041 ( 0.047 0.141 -0.237) 0.280 24.178 ( -0.131 -0.062 0.270) 0.307 24.178 ( -0.131 0.062 0.270) 0.307 27.074 ( -0.164 -2.060 1.274) 2.428 27.074 ( -0.164 2.060 1.274) 2.428 27.115 ( -0.850 -3.427 -1.285) 3.757 27.115 ( -0.850 3.427 -1.285) 3.757 27.637 ( 0.615 -0.627 0.726) 1.139 27.637 ( 0.615 0.627 0.726) 1.139 27.826 ( -0.862 -0.977 -0.810) 1.534 27.826 ( -0.862 0.977 -0.810) 1.534 33.650 ( 2.062 -5.740 2.686) 6.664 33.650 ( 2.062 5.740 2.686) 6.664 33.774 ( 0.525 -6.331 -2.094) 6.689 33.774 ( 0.525 6.331 -2.094) 6.689 33.927 ( -0.533 -1.225 -0.510) 1.430 33.927 ( -0.533 1.225 -0.510) 1.430 33.985 ( 0.696 -0.633 -0.528) 1.079 33.985 ( 0.696 0.633 -0.528) 1.079 34.739 ( 0.305 -1.629 0.723) 1.808 34.739 ( 0.305 1.629 0.723) 1.808 35.299 ( -1.964 -3.194 -0.906) 3.858 35.299 ( -1.964 3.194 -0.906) 3.858 35.863 ( -1.410 -0.751 1.150) 1.968 35.863 ( -1.410 0.751 1.150) 1.968 36.201 ( -1.150 -0.447 -1.021) 1.602 36.201 ( -1.150 0.447 -1.021) 1.602 37.139 ( 0.488 -4.959 4.276) 6.566 37.139 ( 0.488 4.959 4.276) 6.566 37.399 ( 1.799 -6.690 4.654) 8.346 37.399 ( 1.799 6.690 4.654) 8.346 37.548 ( -6.154 -0.701 -5.227) 8.105 37.548 ( -6.154 0.701 -5.227) 8.105 38.166 ( 6.108 -16.861 -2.115) 18.057 38.166 ( 6.108 16.861 -2.115) 18.057 ======================= Grid point 102 (54/76) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -6.263 -12.079 -1.989) 13.751 1.493 ( -6.263 12.079 -1.989) 13.751 1.888 ( -5.512 -8.131 -3.941) 10.585 1.888 ( -5.512 8.131 -3.941) 10.585 2.203 ( -2.553 -9.736 -1.270) 10.145 2.203 ( -2.553 9.736 -1.270) 10.145 2.618 ( 0.835 -2.965 7.215) 7.845 2.618 ( 0.835 2.965 7.215) 7.845 2.906 ( -6.413 -2.594 0.546) 6.939 2.906 ( -6.413 2.594 0.546) 6.939 3.214 ( 1.900 -7.692 3.769) 8.774 3.214 ( 1.900 7.692 3.769) 8.774 3.405 ( 1.147 -3.865 0.783) 4.107 3.405 ( 1.147 3.865 0.783) 4.107 3.476 ( -9.883 -5.337 -3.538) 11.776 3.476 ( -9.883 5.337 -3.538) 11.776 3.505 ( 3.130 -5.491 -3.070) 7.027 3.505 ( 3.130 5.491 -3.070) 7.027 3.721 ( 2.637 -1.203 1.238) 3.152 3.721 ( 2.637 1.203 1.238) 3.152 3.939 ( -1.571 -4.974 -1.719) 5.492 3.939 ( -1.571 4.974 -1.719) 5.492 4.106 ( 2.829 -2.458 3.250) 4.960 4.106 ( 2.829 2.458 3.250) 4.960 4.429 ( -2.833 -5.321 0.523) 6.051 4.429 ( -2.833 5.321 0.523) 6.051 4.539 ( -3.391 -8.157 -1.420) 8.947 4.539 ( -3.391 8.157 -1.420) 8.947 4.724 ( 0.615 -1.221 -5.356) 5.528 4.724 ( 0.615 1.221 -5.356) 5.528 4.790 ( 2.057 -2.863 1.511) 3.835 4.790 ( 2.057 2.863 1.511) 3.835 4.990 ( -4.894 -3.863 6.433) 8.959 4.990 ( -4.894 3.863 6.433) 8.959 5.338 ( -2.809 -8.820 -3.254) 9.811 5.338 ( -2.809 8.820 -3.254) 9.811 5.789 ( -1.528 -5.911 2.446) 6.577 5.789 ( -1.528 5.911 2.446) 6.577 5.903 ( -0.886 -2.552 -1.258) 2.980 5.903 ( -0.886 2.552 -1.258) 2.980 6.050 ( -4.253 -1.202 -0.378) 4.436 6.050 ( -4.253 1.202 -0.378) 4.436 6.355 ( 7.000 -3.191 -0.749) 7.730 6.355 ( 7.000 3.191 -0.749) 7.730 6.602 ( 0.929 -3.479 -0.492) 3.634 6.602 ( 0.929 3.479 -0.492) 3.634 6.722 ( -0.732 -1.507 -2.029) 2.631 6.722 ( -0.732 1.507 -2.029) 2.631 6.803 ( 0.753 -2.566 0.754) 2.778 6.803 ( 0.753 2.566 0.754) 2.778 6.994 ( -2.520 -1.545 0.965) 3.110 6.994 ( -2.520 1.545 0.965) 3.110 7.272 ( 3.321 -0.607 -2.488) 4.194 7.272 ( 3.321 0.607 -2.488) 4.194 7.556 ( 1.259 -6.411 2.187) 6.890 7.556 ( 1.259 6.411 2.187) 6.890 7.676 ( 2.521 -6.454 3.069) 7.578 7.676 ( 2.521 6.454 3.069) 7.578 7.751 ( 1.271 -5.775 -5.085) 7.800 7.751 ( 1.271 5.775 -5.085) 7.800 7.874 ( 3.647 -12.336 0.776) 12.887 7.874 ( 3.647 12.336 0.776) 12.887 8.025 ( 0.610 -3.230 2.732) 4.274 8.025 ( 0.610 3.230 2.732) 4.274 8.195 ( -0.276 -3.776 1.672) 4.139 8.195 ( -0.276 3.776 1.672) 4.139 8.269 ( 0.252 -4.266 -1.575) 4.554 8.269 ( 0.252 4.266 -1.575) 4.554 9.160 ( 2.939 -4.865 -0.752) 5.734 9.160 ( 2.939 4.865 -0.752) 5.734 9.270 ( 5.332 -2.863 0.510) 6.073 9.270 ( 5.332 2.863 0.510) 6.073 12.598 ( -0.667 -2.591 -0.207) 2.684 12.598 ( -0.667 2.591 -0.207) 2.684 12.746 ( -1.731 -2.737 0.092) 3.240 12.746 ( -1.731 2.737 0.092) 3.240 13.106 ( 1.045 -0.899 0.730) 1.560 13.106 ( 1.045 0.899 0.730) 1.560 13.212 ( -0.836 -0.414 -0.811) 1.236 13.212 ( -0.836 0.414 -0.811) 1.236 14.877 ( -2.603 -4.075 -3.270) 5.837 14.877 ( -2.603 4.075 -3.270) 5.837 14.951 ( 2.151 -3.801 2.712) 5.141 14.951 ( 2.151 3.801 2.712) 5.141 15.174 ( -1.793 -0.940 0.300) 2.046 15.174 ( -1.793 0.940 0.300) 2.046 15.220 ( -0.809 -1.097 -0.155) 1.372 15.220 ( -0.809 1.097 -0.155) 1.372 17.921 ( 1.596 -0.743 0.220) 1.774 17.921 ( 1.596 0.743 0.220) 1.774 18.012 ( 1.680 -0.507 -0.381) 1.795 18.012 ( 1.680 0.507 -0.381) 1.795 18.496 ( 1.614 -1.376 -0.150) 2.126 18.496 ( 1.614 1.376 -0.150) 2.126 18.528 ( 1.756 -1.910 0.223) 2.605 18.528 ( 1.756 1.910 0.223) 2.605 20.786 ( -0.123 -2.380 0.545) 2.445 20.786 ( -0.123 2.380 0.545) 2.445 20.826 ( -0.107 -2.344 -0.579) 2.417 20.826 ( -0.107 2.344 -0.579) 2.417 21.166 ( 0.016 -0.143 0.005) 0.144 21.166 ( 0.016 0.143 0.005) 0.144 21.224 ( 0.178 -0.167 0.052) 0.250 21.224 ( 0.178 0.167 0.052) 0.250 22.205 ( 0.472 -1.608 -0.232) 1.692 22.205 ( 0.472 1.608 -0.232) 1.692 22.395 ( 0.530 -0.806 0.082) 0.968 22.395 ( 0.530 0.806 0.082) 0.968 24.042 ( 0.199 -0.249 -0.089) 0.331 24.042 ( 0.199 0.249 -0.089) 0.331 24.174 ( -0.490 -0.281 0.085) 0.572 24.174 ( -0.490 0.281 0.085) 0.572 27.047 ( -2.586 -2.539 -0.481) 3.655 27.047 ( -2.586 2.539 -0.481) 3.655 27.110 ( -0.082 -2.503 0.478) 2.550 27.110 ( -0.082 2.503 0.478) 2.550 27.643 ( -0.037 -0.249 -0.667) 0.713 27.643 ( -0.037 0.249 -0.667) 0.713 27.814 ( -0.418 -0.996 0.819) 1.356 27.814 ( -0.418 0.996 0.819) 1.356 33.716 ( 3.411 -4.590 0.020) 5.719 33.716 ( 3.411 4.590 0.020) 5.719 33.779 ( 2.098 -5.191 -0.555) 5.626 33.779 ( 2.098 5.191 -0.555) 5.626 33.922 ( 0.169 -0.438 0.259) 0.536 33.922 ( 0.169 0.438 0.259) 0.536 34.007 ( 2.163 -0.493 0.190) 2.227 34.007 ( 2.163 0.493 0.190) 2.227 34.756 ( 1.125 -0.335 0.344) 1.223 34.756 ( 1.125 0.335 0.344) 1.223 35.248 ( -3.479 -1.756 0.412) 3.919 35.248 ( -3.479 1.756 0.412) 3.919 35.809 ( -5.397 -1.818 -0.340) 5.705 35.809 ( -5.397 1.818 -0.340) 5.705 36.162 ( -2.712 -1.975 -0.294) 3.367 36.162 ( -2.712 1.975 -0.294) 3.367 37.102 ( -5.533 -1.955 -1.338) 6.018 37.102 ( -5.533 1.955 -1.338) 6.018 37.405 ( -2.715 -1.247 -4.152) 5.115 37.405 ( -2.715 1.247 -4.152) 5.115 37.543 ( 2.080 -10.848 11.590) 16.011 37.543 ( 2.080 10.848 11.590) 16.011 38.262 ( 10.135 -15.244 -6.275) 19.351 38.262 ( 10.135 15.244 -6.275) 19.351 ======================= Grid point 104 (55/76) ======================= q-point: (-0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -5.434 -14.742 1.457) 15.779 1.387 ( -5.434 14.742 1.457) 15.779 1.758 ( -5.863 -8.501 -2.478) 10.620 1.758 ( -5.863 8.501 -2.478) 10.620 2.140 ( -1.080 -19.988 -2.159) 20.133 2.140 ( -1.080 19.988 -2.159) 20.133 2.700 ( -5.158 -2.325 1.375) 5.822 2.700 ( -5.158 2.325 1.375) 5.822 2.803 ( -2.527 -1.530 7.405) 7.973 2.803 ( -2.527 1.530 7.405) 7.973 3.193 ( -4.935 -5.640 -3.748) 8.380 3.193 ( -4.935 5.640 -3.748) 8.380 3.298 ( -6.782 -3.799 3.054) 8.352 3.298 ( -6.782 3.799 3.054) 8.352 3.426 ( -2.241 -2.766 0.798) 3.648 3.426 ( -2.241 2.766 0.798) 3.648 3.530 ( 4.408 -3.928 -4.706) 7.551 3.530 ( 4.408 3.928 -4.706) 7.551 3.760 ( 2.773 -5.839 -5.512) 8.495 3.760 ( 2.773 5.839 -5.512) 8.495 3.921 ( 0.408 -1.964 1.565) 2.544 3.921 ( 0.408 1.964 1.565) 2.544 4.202 ( 2.499 -4.631 7.018) 8.772 4.202 ( 2.499 4.631 7.018) 8.772 4.370 ( -3.238 -7.457 -1.589) 8.283 4.370 ( -3.238 7.457 -1.589) 8.283 4.446 ( -6.586 -1.990 2.456) 7.305 4.446 ( -6.586 1.990 2.456) 7.305 4.668 ( -2.244 -5.149 -6.076) 8.274 4.668 ( -2.244 5.149 -6.076) 8.274 4.831 ( 2.179 -6.929 1.675) 7.454 4.831 ( 2.179 6.929 1.675) 7.454 5.009 ( 0.099 -5.559 2.748) 6.202 5.009 ( 0.099 5.559 2.748) 6.202 5.247 ( -2.885 -7.054 -2.998) 8.190 5.247 ( -2.885 7.054 -2.998) 8.190 5.790 ( -1.291 -4.854 2.834) 5.767 5.790 ( -1.291 4.854 2.834) 5.767 5.867 ( -1.983 -2.639 0.726) 3.380 5.867 ( -1.983 2.639 0.726) 3.380 6.043 ( 0.987 -2.645 3.938) 4.845 6.043 ( 0.987 2.645 3.938) 4.845 6.438 ( 4.173 -2.654 -3.403) 6.003 6.438 ( 4.173 2.654 -3.403) 6.003 6.619 ( 1.981 -3.216 -1.655) 4.124 6.619 ( 1.981 3.216 -1.655) 4.124 6.720 ( 0.888 -3.250 0.205) 3.376 6.720 ( 0.888 3.250 0.205) 3.376 6.811 ( 0.031 -2.109 0.469) 2.161 6.811 ( 0.031 2.109 0.469) 2.161 6.975 ( -0.080 -4.154 0.828) 4.236 6.975 ( -0.080 4.154 0.828) 4.236 7.238 ( -0.737 -2.507 -7.662) 8.096 7.238 ( -0.737 2.507 -7.662) 8.096 7.589 ( -1.900 -5.282 2.244) 6.046 7.589 ( -1.900 5.282 2.244) 6.046 7.686 ( 2.559 -6.013 -2.427) 6.971 7.686 ( 2.559 6.013 -2.427) 6.971 7.784 ( 3.486 -4.103 -0.219) 5.389 7.784 ( 3.486 4.103 -0.219) 5.389 7.955 ( 3.206 -15.414 0.982) 15.775 7.955 ( 3.206 15.414 0.982) 15.775 8.070 ( 0.883 -4.442 3.596) 5.783 8.070 ( 0.883 4.442 3.596) 5.783 8.185 ( -0.703 -3.555 -0.110) 3.626 8.185 ( -0.703 3.555 -0.110) 3.626 8.284 ( 0.365 -5.035 1.301) 5.213 8.284 ( 0.365 5.035 1.301) 5.213 9.210 ( 3.808 -1.521 -1.498) 4.366 9.210 ( 3.808 1.521 -1.498) 4.366 9.399 ( 7.845 -6.316 2.459) 10.367 9.399 ( 7.845 6.316 2.459) 10.367 12.585 ( -0.488 -3.226 0.195) 3.268 12.585 ( -0.488 3.226 0.195) 3.268 12.723 ( -1.595 -2.074 0.341) 2.639 12.723 ( -1.595 2.074 0.341) 2.639 13.087 ( -2.615 -0.643 -2.224) 3.493 13.087 ( -2.615 0.643 -2.224) 3.493 13.215 ( 1.525 -1.404 0.961) 2.285 13.215 ( 1.525 1.404 0.961) 2.285 14.833 ( 0.619 -5.151 -0.973) 5.279 14.833 ( 0.619 5.151 -0.973) 5.279 14.991 ( -0.216 -0.871 0.949) 1.306 14.991 ( -0.216 0.871 0.949) 1.306 15.148 ( -1.749 -2.253 0.126) 2.855 15.148 ( -1.749 2.253 0.126) 2.855 15.194 ( -1.531 -2.051 -0.342) 2.582 15.194 ( -1.531 2.051 -0.342) 2.582 17.956 ( 1.868 -1.565 0.407) 2.470 17.956 ( 1.868 1.565 0.407) 2.470 18.032 ( 1.420 -0.396 -0.862) 1.708 18.032 ( 1.420 0.396 -0.862) 1.708 18.525 ( 1.829 -1.931 -0.094) 2.661 18.525 ( 1.829 1.931 -0.094) 2.661 18.565 ( 2.121 -3.457 0.309) 4.068 18.565 ( 2.121 3.457 0.309) 4.068 20.788 ( -0.116 -2.002 0.377) 2.040 20.788 ( -0.116 2.002 0.377) 2.040 20.821 ( -0.121 -1.886 -0.241) 1.905 20.821 ( -0.121 1.886 -0.241) 1.905 21.165 ( 0.001 -0.493 -0.114) 0.506 21.165 ( 0.001 0.493 -0.114) 0.506 21.230 ( 0.277 -0.155 0.198) 0.374 21.230 ( 0.277 0.155 0.198) 0.374 22.214 ( 0.623 -1.800 0.144) 1.910 22.214 ( 0.623 1.800 0.144) 1.910 22.402 ( 0.411 -0.976 -0.238) 1.085 22.402 ( 0.411 0.976 -0.238) 1.085 24.046 ( 0.249 -0.441 0.115) 0.519 24.046 ( 0.249 0.441 0.115) 0.519 24.164 ( -0.659 -0.397 -0.166) 0.787 24.164 ( -0.659 0.397 -0.166) 0.787 27.004 ( -1.936 -0.954 0.001) 2.158 27.004 ( -1.936 0.954 0.001) 2.158 27.101 ( -1.298 -2.297 0.003) 2.639 27.101 ( -1.298 2.297 0.003) 2.639 27.630 ( -0.267 -0.170 -0.959) 1.010 27.630 ( -0.267 0.170 -0.959) 1.010 27.818 ( -0.523 -2.050 1.135) 2.401 27.818 ( -0.523 2.050 1.135) 2.401 33.749 ( 2.634 -3.885 -2.697) 5.413 33.749 ( 2.634 3.885 -2.697) 5.413 33.846 ( 4.089 -3.249 2.152) 5.649 33.846 ( 4.089 3.249 2.152) 5.649 33.932 ( 0.589 -1.317 -0.003) 1.443 33.932 ( 0.589 1.317 -0.003) 1.443 34.065 ( 3.724 -2.788 1.177) 4.799 34.065 ( 3.724 2.788 1.177) 4.799 34.779 ( 1.591 -2.118 -0.593) 2.714 34.779 ( 1.591 2.118 -0.593) 2.714 35.193 ( -3.749 -5.023 1.029) 6.352 35.193 ( -3.749 5.023 1.029) 6.352 35.689 ( -7.177 -1.381 -1.206) 7.407 35.689 ( -7.177 1.381 -1.206) 7.407 36.105 ( -3.993 -1.709 0.325) 4.356 36.105 ( -3.993 1.709 0.325) 4.356 36.989 ( -4.301 -2.264 -2.558) 5.493 36.989 ( -4.301 2.264 -2.558) 5.493 37.312 ( -5.562 -2.649 -1.764) 6.409 37.312 ( -5.562 2.649 -1.764) 6.409 37.665 ( -0.586 -8.850 11.217) 14.300 37.665 ( -0.586 8.850 11.217) 14.300 38.410 ( 15.045 -13.626 -9.338) 22.343 38.410 ( 15.045 13.626 -9.338) 22.343 ======================= Grid point 106 (56/76) ======================= q-point: (-0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -2.904 -12.660 7.003) 14.757 1.350 ( -2.904 12.660 7.003) 14.757 1.668 ( -2.713 -9.577 -0.601) 9.972 1.668 ( -2.713 9.577 -0.601) 9.972 2.149 ( 2.569 -19.867 1.303) 20.074 2.149 ( 2.569 19.867 1.303) 20.074 2.585 ( -3.812 -4.465 2.207) 6.272 2.585 ( -3.812 4.465 2.207) 6.272 2.821 ( -4.270 -8.006 -0.497) 9.087 2.821 ( -4.270 8.006 -0.497) 9.087 3.055 ( -8.303 -6.229 -2.318) 10.635 3.055 ( -8.303 6.229 -2.318) 10.635 3.241 ( -3.881 -5.336 1.249) 6.715 3.241 ( -3.881 5.336 1.249) 6.715 3.389 ( -0.593 -2.657 3.115) 4.137 3.389 ( -0.593 2.657 3.115) 4.137 3.573 ( 3.712 -0.644 -3.913) 5.431 3.573 ( 3.712 0.644 -3.913) 5.431 3.716 ( 1.869 -5.276 -8.684) 10.331 3.716 ( 1.869 5.276 -8.684) 10.331 3.963 ( 1.791 -3.409 0.110) 3.852 3.963 ( 1.791 3.409 0.110) 3.852 4.234 ( -4.470 -6.462 -0.205) 7.861 4.234 ( -4.470 6.462 -0.205) 7.861 4.318 ( -3.020 -6.055 2.991) 7.398 4.318 ( -3.020 6.055 2.991) 7.398 4.413 ( -2.383 -1.369 7.196) 7.703 4.413 ( -2.383 1.369 7.196) 7.703 4.568 ( -1.142 -5.186 -4.756) 7.129 4.568 ( -1.142 5.186 -4.756) 7.129 4.891 ( 3.094 -3.949 0.227) 5.022 4.891 ( 3.094 3.949 0.227) 5.022 4.998 ( -0.109 -3.957 -4.180) 5.756 4.998 ( -0.109 3.957 -4.180) 5.756 5.229 ( 0.842 -4.565 1.768) 4.968 5.229 ( 0.842 4.565 1.768) 4.968 5.789 ( -0.830 -2.663 2.202) 3.554 5.789 ( -0.830 2.663 2.202) 3.554 5.884 ( -1.812 -5.898 9.156) 11.041 5.884 ( -1.812 5.898 9.156) 11.041 6.085 ( 0.153 -3.305 1.143) 3.500 6.085 ( 0.153 3.305 1.143) 3.500 6.468 ( 3.478 -2.267 -2.498) 4.845 6.468 ( 3.478 2.267 -2.498) 4.845 6.637 ( 2.169 -5.517 -2.858) 6.581 6.637 ( 2.169 5.517 -2.858) 6.581 6.728 ( 0.432 -3.555 0.254) 3.591 6.728 ( 0.432 3.555 0.254) 3.591 6.831 ( -0.089 -1.356 2.256) 2.634 6.831 ( -0.089 1.356 2.256) 2.634 6.982 ( -0.158 -7.234 0.251) 7.241 6.982 ( -0.158 7.234 0.251) 7.241 7.172 ( 1.231 -4.503 -5.948) 7.561 7.172 ( 1.231 4.503 -5.948) 7.561 7.562 ( -0.240 -6.573 -1.297) 6.704 7.562 ( -0.240 6.573 -1.297) 6.704 7.727 ( 1.994 -7.253 0.830) 7.568 7.727 ( 1.994 7.253 0.830) 7.568 7.831 ( 1.964 -1.822 -0.391) 2.707 7.831 ( 1.964 1.822 -0.391) 2.707 7.982 ( 0.306 -11.665 -0.459) 11.678 7.982 ( 0.306 11.665 -0.459) 11.678 8.090 ( -2.156 -4.929 0.208) 5.384 8.090 ( -2.156 4.929 0.208) 5.384 8.171 ( 0.308 -6.123 0.272) 6.136 8.171 ( 0.308 6.123 0.272) 6.136 8.301 ( 0.103 -2.120 1.082) 2.382 8.301 ( 0.103 2.120 1.082) 2.382 9.259 ( 2.909 -1.676 0.131) 3.360 9.259 ( 2.909 1.676 0.131) 3.360 9.532 ( 4.831 -5.215 0.043) 7.109 9.532 ( 4.831 5.215 0.043) 7.109 12.593 ( 0.693 -5.057 0.611) 5.140 12.593 ( 0.693 5.057 0.611) 5.140 12.682 ( -2.673 -2.750 -0.848) 3.928 12.682 ( -2.673 2.750 -0.848) 3.928 13.036 ( -0.873 -0.428 -0.101) 0.977 13.036 ( -0.873 0.428 -0.101) 0.977 13.248 ( 0.957 -1.695 0.247) 1.962 13.248 ( 0.957 1.695 0.247) 1.962 14.877 ( 3.010 -4.141 1.160) 5.249 14.877 ( 3.010 4.141 1.160) 5.249 14.975 ( -0.687 -1.575 -0.093) 1.721 14.975 ( -0.687 1.575 -0.093) 1.721 15.088 ( -3.909 -3.306 -1.201) 5.258 15.088 ( -3.909 3.306 -1.201) 5.258 15.189 ( 0.110 -2.379 0.480) 2.429 15.189 ( 0.110 2.379 0.480) 2.429 17.983 ( 1.015 -2.499 -0.079) 2.698 17.983 ( 1.015 2.499 -0.079) 2.698 18.050 ( 1.211 -0.427 -0.019) 1.284 18.050 ( 1.211 0.427 -0.019) 1.284 18.552 ( 1.265 -1.967 0.124) 2.342 18.552 ( 1.265 1.967 0.124) 2.342 18.597 ( 1.233 -4.266 -0.100) 4.441 18.597 ( 1.233 4.266 -0.100) 4.441 20.789 ( -0.117 -1.818 0.271) 1.842 20.789 ( -0.117 1.818 0.271) 1.842 20.818 ( -0.043 -1.683 0.010) 1.684 20.818 ( -0.043 1.683 0.010) 1.684 21.165 ( 0.045 -0.560 0.010) 0.562 21.165 ( 0.045 0.560 0.010) 0.562 21.235 ( 0.118 -0.146 -0.024) 0.190 21.235 ( 0.118 0.146 -0.024) 0.190 22.227 ( 0.471 -2.014 0.539) 2.137 22.227 ( 0.471 2.014 0.539) 2.137 22.405 ( 0.221 -0.583 -0.365) 0.723 22.405 ( 0.221 0.583 -0.365) 0.723 24.051 ( 0.153 -0.346 0.313) 0.491 24.051 ( 0.153 0.346 0.313) 0.491 24.151 ( -0.478 -0.269 -0.419) 0.690 24.151 ( -0.478 0.269 -0.419) 0.690 26.981 ( -1.055 -1.458 0.161) 1.807 26.981 ( -1.055 1.458 0.161) 1.807 27.075 ( -1.187 -1.395 -0.160) 1.839 27.075 ( -1.187 1.395 -0.160) 1.839 27.627 ( 0.378 -0.232 0.299) 0.535 27.627 ( 0.378 0.232 0.299) 0.535 27.807 ( -1.210 -2.486 -0.388) 2.792 27.807 ( -1.210 2.486 -0.388) 2.792 33.775 ( 2.248 -1.626 -0.550) 2.829 33.775 ( 2.248 1.626 -0.550) 2.829 33.918 ( 1.202 -0.131 0.223) 1.229 33.918 ( 1.202 0.131 0.223) 1.229 33.949 ( 2.447 -3.079 0.476) 3.962 33.949 ( 2.447 3.079 0.476) 3.962 34.131 ( 2.473 -3.961 0.148) 4.672 34.131 ( 2.473 3.961 0.148) 4.672 34.802 ( 1.919 -3.512 -0.453) 4.027 34.802 ( 1.919 3.512 -0.453) 4.027 35.139 ( -3.132 -5.602 -0.058) 6.418 35.139 ( -3.132 5.602 -0.058) 6.418 35.575 ( -4.776 -0.960 -0.207) 4.876 35.575 ( -4.776 0.960 -0.207) 4.876 36.040 ( -3.660 -0.760 0.408) 3.760 36.040 ( -3.660 0.760 0.408) 3.760 36.942 ( 0.925 -1.994 -1.162) 2.486 36.942 ( 0.925 1.994 -1.162) 2.486 37.187 ( -7.647 -4.532 -0.388) 8.898 37.187 ( -7.647 4.532 -0.388) 8.898 37.715 ( -2.573 -4.756 6.955) 8.810 37.715 ( -2.573 4.756 6.955) 8.810 38.576 ( 13.095 -12.366 -9.541) 20.382 38.576 ( 13.095 12.366 -9.541) 20.382 ======================= Grid point 126 (57/76) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -1.312 0.000 -16.914) 16.965 1.005 ( 1.312 0.000 16.914) 16.965 1.151 ( 1.724 0.000 -21.476) 21.545 1.151 ( -1.724 0.000 21.476) 21.545 1.903 ( -19.840 0.000 -27.528) 33.933 1.903 ( 19.840 0.000 27.528) 33.933 2.646 ( -3.346 0.000 -4.099) 5.291 2.646 ( 3.346 0.000 4.099) 5.291 2.836 ( 0.122 0.000 -10.011) 10.011 2.836 ( -0.122 0.000 10.011) 10.011 2.971 ( 1.811 0.000 -2.446) 3.043 2.971 ( -1.811 0.000 2.446) 3.043 3.081 ( 1.286 0.000 -1.697) 2.129 3.081 ( -1.286 0.000 1.697) 2.129 3.428 ( 0.484 0.000 -1.963) 2.022 3.428 ( -0.484 0.000 1.963) 2.022 3.516 ( 2.446 0.000 -3.411) 4.198 3.516 ( -2.446 0.000 3.411) 4.198 3.647 ( 1.301 0.000 -3.054) 3.320 3.647 ( -1.301 0.000 3.054) 3.320 3.785 ( -5.750 0.000 -2.435) 6.244 3.785 ( 5.750 0.000 2.435) 6.244 3.976 ( -3.089 0.000 -0.119) 3.091 3.976 ( 3.089 0.000 0.119) 3.091 4.092 ( 2.291 0.000 -11.061) 11.296 4.092 ( -2.291 0.000 11.061) 11.296 4.207 ( -2.756 0.000 -6.142) 6.732 4.207 ( 2.756 0.000 6.142) 6.732 4.558 ( 0.635 0.000 -0.313) 0.708 4.558 ( -0.635 0.000 0.313) 0.708 4.720 ( 0.063 0.000 -11.776) 11.776 4.720 ( -0.063 0.000 11.776) 11.776 5.220 ( -7.910 0.000 -4.594) 9.148 5.220 ( 7.910 0.000 4.594) 9.148 5.495 ( 7.644 0.000 -11.703) 13.978 5.495 ( -7.644 0.000 11.703) 13.978 5.749 ( -0.709 0.000 -2.612) 2.707 5.749 ( 0.709 0.000 2.612) 2.707 5.901 ( -0.282 0.000 -0.165) 0.327 5.901 ( 0.282 0.000 0.165) 0.327 6.219 ( -12.137 0.000 1.593) 12.241 6.219 ( 12.137 0.000 -1.593) 12.241 6.452 ( -0.769 0.000 -1.511) 1.696 6.452 ( 0.769 0.000 1.511) 1.696 6.580 ( -0.644 0.000 -0.475) 0.800 6.580 ( 0.644 0.000 0.475) 0.800 6.659 ( -1.025 0.000 -2.766) 2.950 6.659 ( 1.025 0.000 2.766) 2.950 6.694 ( 0.743 0.000 -0.843) 1.124 6.694 ( -0.743 0.000 0.843) 1.124 6.758 ( -2.640 0.000 0.388) 2.668 6.758 ( 2.640 0.000 -0.388) 2.668 7.165 ( 2.340 0.000 -3.416) 4.141 7.165 ( -2.340 0.000 3.416) 4.141 7.392 ( -1.379 0.000 0.388) 1.432 7.392 ( 1.379 0.000 -0.388) 1.432 7.574 ( -0.769 0.000 -1.454) 1.645 7.574 ( 0.769 0.000 1.454) 1.645 7.652 ( 0.223 0.000 -0.172) 0.282 7.652 ( -0.223 0.000 0.172) 0.282 7.914 ( -4.562 0.000 -1.266) 4.734 7.914 ( 4.562 0.000 1.266) 4.734 8.073 ( 0.391 0.000 -1.608) 1.654 8.073 ( -0.391 0.000 1.608) 1.654 8.185 ( -3.170 0.000 -0.076) 3.171 8.185 ( 3.170 0.000 0.076) 3.171 9.076 ( -1.105 0.000 -5.178) 5.294 9.076 ( 1.105 0.000 5.178) 5.294 9.431 ( 2.951 0.000 -2.339) 3.766 9.431 ( -2.951 0.000 2.339) 3.766 10.177 ( -10.413 0.000 -6.798) 12.436 10.177 ( 10.413 0.000 6.798) 12.436 12.544 ( -0.463 0.000 -1.874) 1.931 12.544 ( 0.463 0.000 1.874) 1.931 12.780 ( 0.135 0.000 -1.234) 1.242 12.780 ( -0.135 0.000 1.234) 1.242 13.163 ( -2.008 0.000 -1.999) 2.833 13.163 ( 2.008 0.000 1.999) 2.833 13.465 ( -4.430 0.000 -0.867) 4.514 13.465 ( 4.430 0.000 0.867) 4.514 14.441 ( -0.822 0.000 0.031) 0.823 14.441 ( 0.822 0.000 -0.031) 0.823 14.495 ( 0.516 0.000 -0.225) 0.563 14.495 ( -0.516 0.000 0.225) 0.563 14.923 ( -1.052 0.000 -0.587) 1.204 14.923 ( 1.052 0.000 0.587) 1.204 15.086 ( -3.277 0.000 -1.244) 3.505 15.086 ( 3.277 0.000 1.244) 3.505 18.293 ( -0.023 0.000 -0.075) 0.078 18.293 ( 0.023 0.000 0.075) 0.078 18.461 ( -0.429 0.000 -0.566) 0.710 18.461 ( 0.429 0.000 0.566) 0.710 18.666 ( 0.610 0.000 -0.212) 0.646 18.666 ( -0.610 0.000 0.212) 0.646 18.842 ( -0.991 0.000 -0.459) 1.092 18.842 ( 0.991 0.000 0.459) 1.092 20.654 ( 0.247 0.000 -0.476) 0.536 20.654 ( -0.247 0.000 0.476) 0.536 20.898 ( 0.059 0.000 -0.466) 0.469 20.898 ( -0.059 0.000 0.466) 0.469 21.163 ( -0.037 0.000 -0.888) 0.889 21.163 ( 0.037 0.000 0.888) 0.889 21.248 ( -1.344 0.000 -0.278) 1.373 21.248 ( 1.344 0.000 0.278) 1.373 22.414 ( -0.990 0.000 -0.071) 0.992 22.414 ( 0.990 0.000 0.071) 0.992 22.475 ( -10.148 0.000 -0.205) 10.150 22.475 ( 10.148 0.000 0.205) 10.150 24.087 ( -2.528 0.000 -0.482) 2.574 24.087 ( 2.528 0.000 0.482) 2.574 24.109 ( -0.507 0.000 0.031) 0.508 24.109 ( 0.507 0.000 -0.031) 0.508 27.175 ( 0.493 0.000 -1.393) 1.478 27.175 ( -0.493 0.000 1.393) 1.478 27.239 ( -9.501 0.000 -0.306) 9.506 27.239 ( 9.501 0.000 0.306) 9.506 27.354 ( 0.358 0.000 -1.084) 1.142 27.354 ( -0.358 0.000 1.084) 1.142 27.411 ( 0.586 0.000 -0.683) 0.900 27.411 ( -0.586 0.000 0.683) 0.900 33.784 ( -3.439 0.000 -1.621) 3.802 33.784 ( 3.439 0.000 1.621) 3.802 33.892 ( -1.727 0.000 0.380) 1.768 33.892 ( 1.727 0.000 -0.380) 1.768 33.901 ( -0.906 0.000 -0.413) 0.996 33.901 ( 0.906 0.000 0.413) 0.996 34.351 ( -15.196 0.000 -2.707) 15.435 34.351 ( 15.196 0.000 2.707) 15.435 34.546 ( -1.638 0.000 -1.167) 2.011 34.546 ( 1.638 0.000 1.167) 2.011 34.808 ( -1.858 0.000 -2.140) 2.834 34.808 ( 1.858 0.000 2.140) 2.834 35.634 ( 1.131 0.000 -0.908) 1.450 35.634 ( -1.131 0.000 0.908) 1.450 36.033 ( -1.816 0.000 -0.405) 1.861 36.033 ( 1.816 0.000 0.405) 1.861 36.865 ( 0.361 0.000 -0.460) 0.585 36.865 ( -0.361 0.000 0.460) 0.585 37.028 ( 7.605 0.000 -9.959) 12.531 37.028 ( -7.605 0.000 9.959) 12.531 37.702 ( -1.557 0.000 -1.932) 2.482 37.702 ( 1.557 0.000 1.932) 2.482 37.976 ( -55.545 0.000 7.496) 56.049 37.976 ( 55.545 0.000 -7.496) 56.049 ======================= Grid point 128 (58/76) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 14.354 0.000 -17.991) 23.015 1.009 ( 4.525 0.000 -26.100) 26.489 1.232 ( 9.814 0.000 10.139) 14.111 1.397 ( 8.120 0.000 20.844) 22.370 1.569 ( 17.042 0.000 -25.011) 30.266 2.351 ( 11.612 0.000 5.640) 12.909 2.591 ( 0.429 0.000 -4.236) 4.258 2.727 ( 2.116 0.000 0.019) 2.116 2.825 ( 4.346 0.000 -3.740) 5.734 2.922 ( 1.126 0.000 -4.764) 4.895 2.984 ( 1.354 0.000 -0.980) 1.672 3.036 ( 3.375 0.000 -0.392) 3.397 3.069 ( -2.883 0.000 2.514) 3.825 3.211 ( 10.949 0.000 26.277) 28.467 3.389 ( -2.736 0.000 -2.452) 3.674 3.416 ( -1.483 0.000 -0.900) 1.735 3.511 ( -0.865 0.000 2.612) 2.751 3.517 ( 1.344 0.000 -4.070) 4.286 3.601 ( -6.385 0.000 0.680) 6.421 3.602 ( -2.003 0.000 -2.290) 3.042 3.678 ( -1.562 0.000 1.393) 2.093 3.848 ( 0.821 0.000 -1.497) 1.707 3.952 ( -2.654 0.000 2.643) 3.746 4.002 ( -3.345 0.000 -0.429) 3.373 4.042 ( 1.816 0.000 -4.312) 4.679 4.102 ( -2.072 0.000 5.914) 6.267 4.152 ( -2.430 0.000 0.544) 2.490 4.288 ( 2.319 0.000 -1.755) 2.908 4.510 ( -3.257 0.000 -6.120) 6.932 4.584 ( 0.030 0.000 7.453) 7.454 4.689 ( 4.327 0.000 2.091) 4.806 4.818 ( 0.212 0.000 8.322) 8.324 5.055 ( -6.563 0.000 -4.618) 8.025 5.350 ( 2.265 0.000 3.134) 3.867 5.480 ( -4.358 0.000 9.195) 10.175 5.521 ( 9.791 0.000 -15.828) 18.612 5.734 ( 1.319 0.000 -4.268) 4.467 5.803 ( 2.571 0.000 -0.033) 2.572 5.889 ( -1.372 0.000 2.074) 2.487 5.910 ( 0.031 0.000 2.744) 2.744 6.059 ( -7.276 0.000 5.102) 8.887 6.322 ( 2.305 0.000 -5.651) 6.103 6.414 ( -1.738 0.000 -2.005) 2.654 6.479 ( 0.982 0.000 1.142) 1.506 6.542 ( -3.290 0.000 -1.147) 3.484 6.594 ( -1.848 0.000 3.306) 3.788 6.623 ( 0.626 0.000 -1.456) 1.585 6.646 ( -0.441 0.000 -0.303) 0.535 6.672 ( -5.431 0.000 -0.269) 5.438 6.727 ( -0.303 0.000 -0.358) 0.469 6.774 ( 3.295 0.000 5.007) 5.994 6.825 ( 3.539 0.000 0.105) 3.540 7.171 ( -2.477 0.000 3.069) 3.944 7.221 ( 2.831 0.000 0.346) 2.852 7.349 ( -1.464 0.000 -0.404) 1.519 7.360 ( -4.423 0.000 -0.766) 4.489 7.520 ( -5.707 0.000 1.046) 5.802 7.550 ( -4.933 0.000 -3.813) 6.235 7.603 ( -1.819 0.000 2.472) 3.069 7.644 ( 3.702 0.000 0.379) 3.721 7.877 ( -0.270 0.000 -0.339) 0.433 7.985 ( -0.566 0.000 0.497) 0.753 8.048 ( -1.074 0.000 -2.597) 2.810 8.074 ( 0.421 0.000 1.125) 1.201 8.136 ( -3.181 0.000 0.313) 3.196 8.266 ( 5.207 0.000 2.854) 5.938 8.998 ( -5.281 0.000 -5.213) 7.420 9.208 ( 7.711 0.000 8.250) 11.292 9.396 ( -3.274 0.000 3.538) 4.820 9.432 ( -1.291 0.000 -1.303) 1.835 9.910 ( -12.781 0.000 -3.536) 13.261 10.271 ( -5.264 0.000 1.778) 5.556 12.533 ( 1.051 0.000 -1.732) 2.026 12.582 ( 2.106 0.000 1.896) 2.834 12.773 ( 0.352 0.000 -1.523) 1.563 12.796 ( 0.757 0.000 1.059) 1.302 13.122 ( -1.102 0.000 -0.850) 1.392 13.205 ( 0.340 0.000 1.513) 1.551 13.389 ( -1.893 0.000 -1.632) 2.500 13.529 ( 2.867 0.000 -0.801) 2.977 14.429 ( -0.808 0.000 0.619) 1.018 14.443 ( -1.192 0.000 -0.187) 1.207 14.488 ( 0.115 0.000 0.218) 0.247 14.492 ( -0.286 0.000 -0.653) 0.713 14.940 ( 0.733 0.000 -0.795) 1.081 14.981 ( 4.283 0.000 0.372) 4.299 15.042 ( 1.356 0.000 -0.008) 1.356 15.152 ( 3.836 0.000 -0.456) 3.863 18.286 ( -0.583 0.000 -0.142) 0.600 18.289 ( -0.475 0.000 0.064) 0.479 18.443 ( -1.229 0.000 -0.162) 1.239 18.459 ( -1.004 0.000 -0.240) 1.032 18.677 ( 0.649 0.000 2.431) 2.516 18.678 ( 0.038 0.000 -0.128) 0.133 18.799 ( -2.925 0.000 -0.505) 2.968 18.828 ( -2.190 0.000 -1.367) 2.582 20.654 ( 0.324 0.000 -0.591) 0.674 20.654 ( -0.175 0.000 0.354) 0.395 20.897 ( 0.222 0.000 -0.308) 0.379 20.903 ( 0.063 0.000 0.537) 0.541 21.155 ( -0.006 0.000 -1.081) 1.081 21.175 ( 0.515 0.000 0.704) 0.873 21.225 ( -1.296 0.000 0.456) 1.373 21.270 ( 0.686 0.000 0.630) 0.931 22.326 ( -7.283 0.000 2.148) 7.594 22.396 ( -1.090 0.000 0.560) 1.225 22.445 ( 0.973 0.000 1.309) 1.631 22.603 ( -0.444 0.000 0.281) 0.525 24.051 ( -1.400 0.000 -0.047) 1.401 24.101 ( -0.443 0.000 0.520) 0.683 24.125 ( 1.210 0.000 0.064) 1.212 24.133 ( 1.059 0.000 -0.192) 1.077 27.037 ( -5.005 0.000 -3.662) 6.201 27.163 ( -0.173 0.000 -1.722) 1.731 27.163 ( -1.771 0.000 0.402) 1.816 27.306 ( 0.912 0.000 -0.005) 0.912 27.368 ( 1.541 0.000 -1.900) 2.446 27.368 ( 0.545 0.000 0.183) 0.575 27.417 ( 0.877 0.000 0.765) 1.164 27.420 ( 1.521 0.000 -1.733) 2.306 33.695 ( -5.426 0.000 -0.589) 5.458 33.783 ( -5.766 0.000 -0.189) 5.769 33.865 ( 0.473 0.000 0.328) 0.576 33.877 ( -1.325 0.000 -2.264) 2.623 33.910 ( 1.157 0.000 1.380) 1.801 33.916 ( -0.280 0.000 -0.289) 0.402 34.097 ( -5.937 0.000 -2.945) 6.627 34.504 ( -1.726 0.000 -2.361) 2.924 34.589 ( 2.080 0.000 1.560) 2.600 34.602 ( 12.023 0.000 2.683) 12.318 34.734 ( -2.240 0.000 -4.882) 5.371 34.844 ( 1.863 0.000 -0.537) 1.939 35.688 ( 5.000 0.000 -0.093) 5.001 35.721 ( 8.480 0.000 -0.463) 8.493 36.061 ( 4.709 0.000 0.854) 4.785 36.182 ( 13.440 0.000 6.391) 14.882 36.850 ( -1.296 0.000 0.680) 1.463 36.855 ( -1.319 0.000 0.067) 1.320 36.963 ( -7.752 0.000 5.684) 9.613 37.032 ( 3.081 0.000 -11.625) 12.026 37.167 ( -19.694 0.000 -9.214) 21.743 37.686 ( -3.717 0.000 0.339) 3.733 37.692 ( -2.909 0.000 0.922) 3.051 38.667 ( 38.959 0.000 -23.409) 45.451 ======================= Grid point 129 (59/76) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 21.352 0.000 -10.337) 23.723 1.170 ( 24.209 0.000 -9.741) 26.096 1.491 ( 12.155 0.000 5.532) 13.355 1.740 ( 10.786 0.000 17.489) 20.548 1.947 ( 39.771 0.000 -10.851) 41.225 2.470 ( 4.205 0.000 -3.952) 5.770 2.556 ( -0.022 0.000 -4.975) 4.975 2.716 ( -2.062 0.000 -1.876) 2.788 2.860 ( -1.223 0.000 -3.004) 3.243 2.876 ( -0.922 0.000 -5.258) 5.338 2.979 ( -1.179 0.000 3.051) 3.270 3.041 ( -0.053 0.000 -1.597) 1.598 3.060 ( 2.066 0.000 -0.028) 2.066 3.298 ( -5.534 0.000 0.274) 5.540 3.358 ( -2.872 0.000 -3.521) 4.544 3.436 ( -4.806 0.000 -1.515) 5.039 3.489 ( -0.016 0.000 0.959) 0.959 3.512 ( 0.943 0.000 -0.033) 0.944 3.546 ( 0.275 0.000 5.074) 5.081 3.579 ( 0.571 0.000 -0.714) 0.914 3.811 ( -2.382 0.000 -2.594) 3.522 3.853 ( 0.900 0.000 -2.468) 2.627 3.904 ( -3.077 0.000 -0.051) 3.077 3.944 ( 6.833 0.000 5.471) 8.753 4.071 ( 2.386 0.000 -0.720) 2.493 4.088 ( -9.396 0.000 11.723) 15.023 4.197 ( 3.943 0.000 12.121) 12.746 4.246 ( -2.082 0.000 -5.058) 5.470 4.417 ( -0.330 0.000 -3.825) 3.839 4.684 ( -0.363 0.000 10.751) 10.758 4.831 ( -2.430 0.000 0.432) 2.468 4.841 ( 1.749 0.000 7.802) 7.996 4.923 ( 2.280 0.000 -7.024) 7.385 5.343 ( -2.840 0.000 -4.633) 5.434 5.517 ( -1.698 0.000 10.999) 11.129 5.552 ( 11.059 0.000 -18.284) 21.369 5.698 ( 0.713 0.000 -6.035) 6.077 5.774 ( -2.214 0.000 -2.946) 3.685 5.945 ( -1.040 0.000 3.104) 3.274 5.951 ( 2.476 0.000 7.098) 7.517 6.070 ( 1.102 0.000 5.935) 6.036 6.233 ( -4.157 0.000 -4.928) 6.447 6.371 ( -0.837 0.000 -1.324) 1.566 6.434 ( -0.530 0.000 -6.185) 6.207 6.533 ( 0.437 0.000 1.682) 1.738 6.541 ( -6.716 0.000 1.958) 6.996 6.573 ( -0.836 0.000 -4.983) 5.053 6.647 ( 2.906 0.000 -0.322) 2.923 6.656 ( 0.231 0.000 0.848) 0.879 6.734 ( 2.005 0.000 -1.778) 2.680 6.849 ( 1.454 0.000 -2.622) 2.998 6.883 ( 4.250 0.000 4.253) 6.012 7.078 ( -9.229 0.000 2.501) 9.562 7.208 ( -1.314 0.000 -0.436) 1.385 7.295 ( -2.805 0.000 1.168) 3.038 7.384 ( 2.357 0.000 2.243) 3.254 7.445 ( -2.626 0.000 -2.847) 3.873 7.460 ( -3.984 0.000 5.705) 6.958 7.617 ( 0.349 0.000 2.765) 2.787 7.737 ( 1.448 0.000 4.905) 5.115 7.842 ( -2.942 0.000 -3.213) 4.357 7.889 ( -8.356 0.000 -2.264) 8.657 7.997 ( -2.090 0.000 -2.620) 3.351 8.047 ( -3.924 0.000 -2.412) 4.606 8.144 ( 3.025 0.000 3.261) 4.449 8.396 ( 5.121 0.000 4.808) 7.024 8.790 ( -12.583 0.000 -4.461) 13.350 9.292 ( -5.677 0.000 -5.268) 7.745 9.390 ( -1.614 0.000 3.148) 3.537 9.416 ( -0.964 0.000 5.321) 5.408 9.734 ( -7.365 0.000 2.458) 7.764 10.110 ( -7.213 0.000 -6.462) 9.684 12.556 ( 3.041 0.000 -0.878) 3.165 12.643 ( 3.005 0.000 1.547) 3.380 12.761 ( -0.199 0.000 -1.618) 1.630 12.813 ( 0.249 0.000 0.544) 0.599 13.116 ( 0.515 0.000 0.422) 0.666 13.193 ( -1.895 0.000 -0.205) 1.906 13.394 ( 1.793 0.000 1.569) 2.383 13.546 ( 0.683 0.000 -2.020) 2.132 14.403 ( -2.470 0.000 -0.640) 2.552 14.423 ( -0.800 0.000 0.606) 1.004 14.481 ( -0.279 0.000 -0.339) 0.439 14.502 ( 0.784 0.000 0.672) 1.033 14.891 ( -1.347 0.000 -1.890) 2.321 15.046 ( 3.213 0.000 -0.870) 3.328 15.162 ( 7.918 0.000 2.923) 8.440 15.203 ( 3.694 0.000 -2.398) 4.404 18.275 ( -0.498 0.000 -0.048) 0.500 18.283 ( -0.210 0.000 0.170) 0.271 18.412 ( -2.457 0.000 -0.226) 2.467 18.430 ( -2.027 0.000 -0.158) 2.033 18.650 ( -1.534 0.000 -1.052) 1.860 18.709 ( 0.057 0.000 1.340) 1.342 18.746 ( -3.652 0.000 0.261) 3.661 18.755 ( -3.931 0.000 -1.461) 4.193 20.654 ( -0.134 0.000 0.304) 0.332 20.654 ( 0.363 0.000 -0.633) 0.730 20.900 ( 0.348 0.000 -0.181) 0.393 20.908 ( 0.061 0.000 0.468) 0.472 21.145 ( -0.081 0.000 -0.765) 0.769 21.186 ( 0.306 0.000 -0.092) 0.319 21.212 ( -0.967 0.000 0.965) 1.366 21.276 ( -0.208 0.000 -0.171) 0.270 22.252 ( -4.216 0.000 2.391) 4.846 22.388 ( -0.824 0.000 0.673) 1.064 22.446 ( -7.404 0.000 -9.902) 12.364 22.471 ( 0.269 0.000 1.913) 1.932 24.036 ( -0.509 0.000 0.193) 0.544 24.097 ( -0.679 0.000 0.254) 0.725 24.120 ( -0.077 0.000 -1.375) 1.377 24.148 ( 1.175 0.000 0.283) 1.209 27.092 ( 3.463 0.000 3.630) 5.017 27.128 ( -1.984 0.000 -0.541) 2.056 27.164 ( 2.672 0.000 1.998) 3.336 27.318 ( 0.468 0.000 0.047) 0.471 27.370 ( 0.749 0.000 -1.031) 1.274 27.370 ( -0.152 0.000 0.144) 0.209 27.425 ( 0.863 0.000 -1.508) 1.738 27.456 ( 2.315 0.000 1.188) 2.602 33.605 ( -5.224 0.000 0.730) 5.275 33.658 ( -7.410 0.000 -0.840) 7.458 33.864 ( 0.088 0.000 -0.407) 0.417 33.872 ( 0.005 0.000 0.377) 0.377 33.906 ( 0.185 0.000 0.119) 0.220 33.948 ( 1.165 0.000 1.146) 1.634 34.112 ( 1.664 0.000 6.984) 7.179 34.449 ( -0.856 0.000 -4.437) 4.519 34.624 ( -0.001 0.000 0.313) 0.313 34.651 ( -1.456 0.000 -2.638) 3.013 34.829 ( 9.970 0.000 1.450) 10.075 34.875 ( 3.166 0.000 0.338) 3.184 35.763 ( 4.437 0.000 0.062) 4.437 35.894 ( 11.752 0.000 -0.251) 11.755 36.190 ( 8.002 0.000 1.422) 8.127 36.343 ( -0.219 0.000 -1.164) 1.185 36.818 ( -3.803 0.000 1.410) 4.056 36.870 ( -0.900 0.000 0.877) 1.257 36.889 ( -3.331 0.000 0.584) 3.382 37.013 ( 3.450 0.000 -12.366) 12.838 37.365 ( 26.945 0.000 36.543) 45.403 37.616 ( -4.426 0.000 1.255) 4.601 37.631 ( -4.914 0.000 0.709) 4.965 38.929 ( 19.958 0.000 -26.063) 32.827 ======================= Grid point 130 (60/76) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 22.919 0.000 0.421) 22.923 1.525 ( 22.730 0.000 -3.971) 23.075 1.731 ( 11.375 0.000 3.674) 11.953 1.999 ( 3.067 0.000 11.819) 12.210 2.434 ( 6.580 0.000 -4.935) 8.225 2.467 ( 2.589 0.000 -8.809) 9.182 2.635 ( 22.919 0.000 -3.257) 23.150 2.639 ( -4.741 0.000 -2.970) 5.595 2.715 ( -4.972 0.000 1.189) 5.112 2.830 ( 1.609 0.000 -2.648) 3.099 3.021 ( 0.042 0.000 -2.051) 2.051 3.038 ( 2.487 0.000 0.725) 2.591 3.099 ( 2.025 0.000 0.764) 2.165 3.221 ( -6.581 0.000 5.215) 8.396 3.270 ( -3.414 0.000 -3.474) 4.871 3.309 ( -3.159 0.000 -4.448) 5.456 3.540 ( 2.833 0.000 2.005) 3.471 3.550 ( 2.575 0.000 1.498) 2.979 3.588 ( 0.215 0.000 -0.215) 0.304 3.603 ( -0.146 0.000 6.488) 6.490 3.748 ( -1.278 0.000 -2.676) 2.966 3.787 ( -1.053 0.000 -2.977) 3.158 3.869 ( 0.349 0.000 -1.980) 2.011 4.022 ( -1.890 0.000 2.737) 3.326 4.060 ( -2.964 0.000 7.732) 8.281 4.093 ( 0.142 0.000 1.739) 1.745 4.183 ( 0.578 0.000 -4.393) 4.431 4.278 ( -1.874 0.000 0.369) 1.910 4.466 ( -3.019 0.000 5.441) 6.222 4.598 ( -10.242 0.000 -5.361) 11.560 4.809 ( 1.014 0.000 2.338) 2.549 4.888 ( 3.122 0.000 8.249) 8.820 5.103 ( 9.680 0.000 3.917) 10.442 5.211 ( -2.133 0.000 -12.795) 12.972 5.542 ( 7.826 0.000 -23.526) 24.794 5.557 ( -7.127 0.000 12.732) 14.591 5.682 ( 1.770 0.000 -2.323) 2.920 5.716 ( -1.973 0.000 -0.800) 2.129 5.925 ( -0.375 0.000 -0.249) 0.450 6.059 ( 0.896 0.000 8.858) 8.903 6.127 ( 0.343 0.000 1.156) 1.206 6.166 ( -2.258 0.000 -1.161) 2.539 6.394 ( -1.625 0.000 4.122) 4.430 6.405 ( 2.305 0.000 -5.173) 5.663 6.434 ( -2.278 0.000 0.075) 2.279 6.542 ( -0.986 0.000 -1.874) 2.117 6.581 ( 5.018 0.000 0.633) 5.058 6.648 ( -1.029 0.000 -0.181) 1.044 6.707 ( 4.953 0.000 -2.028) 5.352 6.752 ( 4.808 0.000 -4.514) 6.595 6.878 ( 4.861 0.000 -0.515) 4.888 6.964 ( 1.584 0.000 4.183) 4.473 7.029 ( -3.500 0.000 6.731) 7.586 7.176 ( -3.446 0.000 0.648) 3.507 7.290 ( 2.033 0.000 4.554) 4.988 7.407 ( -2.094 0.000 3.801) 4.339 7.423 ( 0.919 0.000 -0.191) 0.938 7.506 ( 1.027 0.000 6.722) 6.800 7.661 ( 2.376 0.000 1.867) 3.021 7.703 ( -7.928 0.000 -1.862) 8.143 7.724 ( -5.956 0.000 -5.383) 8.028 7.775 ( -1.551 0.000 3.289) 3.636 7.924 ( -3.973 0.000 -2.968) 4.959 7.943 ( -5.880 0.000 -2.542) 6.406 8.244 ( 5.431 0.000 0.810) 5.491 8.421 ( -6.456 0.000 -5.123) 8.242 8.626 ( -3.656 0.000 8.055) 8.845 9.024 ( -14.452 0.000 -12.276) 18.962 9.371 ( -2.554 0.000 0.274) 2.569 9.390 ( -2.161 0.000 -2.676) 3.440 9.698 ( -2.446 0.000 7.735) 8.113 9.968 ( -3.187 0.000 -6.884) 7.586 12.611 ( 3.644 0.000 -0.065) 3.644 12.704 ( 2.931 0.000 0.540) 2.980 12.741 ( -0.831 0.000 -0.711) 1.094 12.815 ( -0.558 0.000 0.477) 0.734 13.135 ( 0.759 0.000 0.640) 0.993 13.156 ( -1.572 0.000 -0.826) 1.776 13.448 ( 1.451 0.000 3.352) 3.653 13.527 ( -0.147 0.000 -2.590) 2.594 14.363 ( -1.566 0.000 -0.202) 1.579 14.406 ( -1.427 0.000 -0.313) 1.461 14.482 ( 0.319 0.000 0.338) 0.465 14.516 ( 0.130 0.000 0.111) 0.171 14.912 ( 2.824 0.000 3.162) 4.240 15.076 ( 1.717 0.000 -1.458) 2.252 15.241 ( 3.732 0.000 -2.827) 4.682 15.295 ( 4.519 0.000 1.544) 4.775 18.269 ( -0.019 0.000 -0.109) 0.110 18.288 ( 0.664 0.000 0.061) 0.667 18.369 ( -2.124 0.000 0.349) 2.152 18.384 ( -3.154 0.000 -0.449) 3.185 18.624 ( -1.242 0.000 -1.161) 1.700 18.673 ( -1.414 0.000 -1.900) 2.369 18.689 ( -2.756 0.000 1.458) 3.118 18.714 ( -2.629 0.000 0.989) 2.809 20.654 ( -0.139 0.000 0.345) 0.372 20.655 ( 0.346 0.000 -0.600) 0.692 20.905 ( 0.373 0.000 -0.118) 0.391 20.912 ( -0.046 0.000 0.325) 0.329 21.142 ( 0.202 0.000 0.066) 0.212 21.182 ( -0.039 0.000 -1.099) 1.100 21.210 ( -0.480 0.000 1.297) 1.383 21.264 ( -0.603 0.000 -1.000) 1.168 22.217 ( -2.523 0.000 2.230) 3.367 22.275 ( -2.241 0.000 -7.564) 7.889 22.405 ( 0.780 0.000 0.942) 1.223 22.482 ( -0.981 0.000 1.767) 2.021 24.034 ( -0.003 0.000 0.417) 0.417 24.079 ( -0.769 0.000 -0.952) 1.223 24.128 ( 0.995 0.000 0.544) 1.134 24.165 ( 0.515 0.000 0.261) 0.577 27.098 ( -0.718 0.000 -0.559) 0.910 27.110 ( -0.111 0.000 -0.185) 0.216 27.248 ( 1.031 0.000 3.495) 3.643 27.313 ( -0.390 0.000 -1.280) 1.338 27.376 ( 0.231 0.000 1.184) 1.206 27.388 ( 1.409 0.000 0.550) 1.512 27.426 ( 0.683 0.000 -1.059) 1.260 27.494 ( 0.715 0.000 0.525) 0.887 33.529 ( -4.496 0.000 0.884) 4.582 33.539 ( -5.313 0.000 -0.881) 5.386 33.854 ( -0.275 0.000 0.169) 0.323 33.877 ( 0.063 0.000 0.697) 0.700 33.915 ( 0.300 0.000 -0.353) 0.463 33.955 ( -0.689 0.000 -0.766) 1.030 34.210 ( 0.207 0.000 10.904) 10.906 34.406 ( 1.022 0.000 -6.087) 6.172 34.604 ( -0.393 0.000 -1.987) 2.026 34.620 ( -0.313 0.000 -1.305) 1.342 34.949 ( 3.320 0.000 1.350) 3.584 34.957 ( 4.517 0.000 -0.472) 4.542 35.871 ( 6.366 0.000 4.479) 7.784 36.083 ( 9.921 0.000 0.194) 9.923 36.298 ( -1.313 0.000 -4.051) 4.258 36.309 ( 4.045 0.000 0.596) 4.089 36.775 ( -1.623 0.000 1.159) 1.995 36.861 ( -0.747 0.000 0.873) 1.149 36.862 ( -0.010 0.000 -1.111) 1.111 36.945 ( 0.735 0.000 -10.557) 10.583 37.527 ( -4.211 0.000 0.063) 4.212 37.549 ( -4.944 0.000 0.490) 4.968 38.158 ( 12.832 0.000 48.620) 50.285 38.950 ( 10.792 0.000 -26.550) 28.660 ======================= Grid point 131 (61/76) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 12.097 0.000 1.856) 12.239 1.790 ( 9.719 0.000 -3.268) 10.254 1.934 ( 10.075 0.000 0.424) 10.084 2.047 ( -5.914 0.000 6.683) 8.924 2.406 ( -1.067 0.000 -2.232) 2.474 2.416 ( -0.359 0.000 -5.952) 5.963 2.525 ( -2.293 0.000 -4.623) 5.160 2.532 ( -7.680 0.000 3.469) 8.427 2.896 ( 6.048 0.000 -1.070) 6.142 2.964 ( -0.345 0.000 -0.583) 0.678 3.031 ( 2.803 0.000 0.296) 2.819 3.078 ( 2.356 0.000 0.298) 2.375 3.148 ( 2.934 0.000 -6.674) 7.291 3.168 ( -5.547 0.000 6.462) 8.516 3.235 ( 2.701 0.000 3.740) 4.614 3.270 ( 0.496 0.000 -1.603) 1.678 3.586 ( -0.467 0.000 2.305) 2.352 3.590 ( 0.748 0.000 0.590) 0.953 3.636 ( 8.091 0.000 -1.811) 8.291 3.661 ( 1.179 0.000 5.794) 5.912 3.722 ( -0.397 0.000 -2.722) 2.750 3.745 ( -3.203 0.000 -0.995) 3.354 3.900 ( 7.357 0.000 -4.584) 8.669 3.996 ( -7.593 0.000 7.843) 10.917 4.108 ( 3.964 0.000 0.735) 4.032 4.124 ( -1.045 0.000 6.652) 6.733 4.202 ( 5.225 0.000 -3.407) 6.237 4.234 ( -3.045 0.000 1.261) 3.296 4.358 ( -6.298 0.000 -3.658) 7.283 4.365 ( -8.113 0.000 -6.878) 10.636 4.910 ( 1.964 0.000 10.367) 10.552 5.001 ( 3.321 0.000 -1.936) 3.844 5.088 ( 0.599 0.000 -4.568) 4.607 5.192 ( -4.826 0.000 1.197) 4.972 5.451 ( 11.947 0.000 -24.974) 27.684 5.508 ( -12.353 0.000 15.169) 19.562 5.699 ( 1.343 0.000 -1.207) 1.805 5.703 ( -0.610 0.000 1.178) 1.326 5.964 ( 4.999 0.000 0.626) 5.038 6.081 ( -6.915 0.000 1.787) 7.142 6.103 ( 0.147 0.000 -0.588) 0.606 6.120 ( -1.849 0.000 -0.409) 1.894 6.361 ( -1.882 0.000 7.005) 7.253 6.399 ( 2.061 0.000 -6.278) 6.608 6.473 ( 1.195 0.000 0.137) 1.203 6.498 ( -1.772 0.000 -1.001) 2.035 6.661 ( 1.045 0.000 0.873) 1.361 6.666 ( 1.767 0.000 0.485) 1.833 6.790 ( 8.358 0.000 -1.983) 8.590 6.870 ( 10.620 0.000 -1.341) 10.704 6.937 ( -6.713 0.000 1.305) 6.838 6.988 ( 5.506 0.000 0.543) 5.533 7.045 ( -0.264 0.000 3.128) 3.139 7.078 ( -8.540 0.000 0.145) 8.541 7.417 ( -1.060 0.000 4.809) 4.924 7.425 ( 1.040 0.000 0.819) 1.324 7.506 ( 10.745 0.000 8.994) 14.012 7.508 ( -2.009 0.000 1.038) 2.261 7.576 ( -5.460 0.000 -3.327) 6.394 7.685 ( 1.348 0.000 7.232) 7.356 7.729 ( 3.735 0.000 1.156) 3.910 7.757 ( -2.164 0.000 -7.364) 7.675 7.808 ( -5.556 0.000 -1.020) 5.649 7.815 ( -4.833 0.000 -3.782) 6.137 8.253 ( -3.320 0.000 -5.165) 6.140 8.269 ( -3.552 0.000 -1.186) 3.744 8.672 ( -3.562 0.000 10.874) 11.442 8.731 ( -2.619 0.000 -12.590) 12.859 9.330 ( -1.507 0.000 0.070) 1.508 9.337 ( -0.931 0.000 -2.347) 2.525 9.763 ( 0.751 0.000 8.873) 8.904 9.862 ( -2.079 0.000 -7.800) 8.073 12.669 ( 2.884 0.000 0.304) 2.900 12.711 ( -1.453 0.000 -0.862) 1.689 12.759 ( 2.335 0.000 0.772) 2.460 12.798 ( -1.741 0.000 0.041) 1.742 13.136 ( -0.042 0.000 -0.402) 0.405 13.141 ( -0.434 0.000 0.077) 0.441 13.490 ( -0.006 0.000 3.102) 3.102 13.507 ( 0.523 0.000 -2.580) 2.633 14.352 ( 0.205 0.000 0.542) 0.580 14.374 ( -1.429 0.000 -0.834) 1.655 14.493 ( 0.580 0.000 0.509) 0.772 14.509 ( -0.591 0.000 -0.488) 0.766 15.007 ( 2.941 0.000 4.961) 5.767 15.072 ( -0.333 0.000 -3.037) 3.055 15.287 ( 3.699 0.000 -1.076) 3.852 15.329 ( -0.996 0.000 -0.012) 0.996 18.279 ( 1.238 0.000 0.129) 1.245 18.301 ( 0.401 0.000 -0.457) 0.608 18.330 ( -1.651 0.000 -0.257) 1.671 18.342 ( -1.857 0.000 0.589) 1.949 18.603 ( 0.721 0.000 -0.065) 0.724 18.645 ( -2.097 0.000 -1.348) 2.493 18.675 ( -0.618 0.000 -0.222) 0.656 18.678 ( -1.055 0.000 1.537) 1.864 20.655 ( -0.196 0.000 0.434) 0.476 20.655 ( 0.279 0.000 -0.526) 0.595 20.910 ( 0.301 0.000 -0.126) 0.326 20.912 ( -0.182 0.000 0.197) 0.269 21.152 ( 0.383 0.000 0.939) 1.014 21.169 ( -0.251 0.000 -1.378) 1.401 21.220 ( 0.222 0.000 1.497) 1.513 21.241 ( -0.693 0.000 -1.420) 1.580 22.203 ( -1.532 0.000 2.574) 2.995 22.214 ( 0.404 0.000 -4.113) 4.133 22.435 ( 1.845 0.000 0.445) 1.898 22.468 ( -1.962 0.000 0.741) 2.097 24.042 ( 0.387 0.000 0.632) 0.741 24.058 ( -0.683 0.000 -0.878) 1.113 24.152 ( 0.993 0.000 0.600) 1.161 24.167 ( -0.360 0.000 -0.120) 0.380 27.095 ( 0.485 0.000 0.030) 0.486 27.105 ( -0.333 0.000 -0.202) 0.389 27.272 ( -0.045 0.000 1.784) 1.785 27.291 ( -0.468 0.000 -1.772) 1.832 27.391 ( 0.165 0.000 1.275) 1.285 27.402 ( 0.098 0.000 -0.687) 0.694 27.446 ( 1.885 0.000 0.825) 2.057 27.485 ( -1.335 0.000 -0.919) 1.620 33.473 ( -1.524 0.000 -0.648) 1.656 33.476 ( -2.232 0.000 0.528) 2.293 33.868 ( 1.176 0.000 1.150) 1.645 33.885 ( 0.000 0.000 0.719) 0.719 33.909 ( -0.199 0.000 -0.681) 0.710 33.921 ( -1.476 0.000 -1.585) 2.165 34.302 ( -1.105 0.000 11.382) 11.436 34.366 ( 1.736 0.000 -8.908) 9.076 34.594 ( 0.994 0.000 -1.305) 1.641 34.607 ( -0.660 0.000 -0.315) 0.731 34.990 ( 1.031 0.000 -0.060) 1.033 34.992 ( 0.769 0.000 -0.213) 0.798 36.039 ( 6.536 0.000 6.957) 9.545 36.175 ( -1.222 0.000 -4.681) 4.838 36.264 ( 3.694 0.000 -0.716) 3.762 36.327 ( -1.877 0.000 -0.228) 1.891 36.793 ( 1.422 0.000 2.889) 3.220 36.856 ( -0.668 0.000 -2.617) 2.700 36.860 ( 0.912 0.000 -1.512) 1.766 36.866 ( -1.208 0.000 -2.849) 3.095 37.477 ( -1.353 0.000 -0.063) 1.355 37.486 ( -2.524 0.000 0.277) 2.539 38.625 ( -0.719 0.000 37.810) 37.817 38.850 ( 6.420 0.000 -29.745) 30.430 ======================= Grid point 136 (62/76) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -7.042 7.450 -17.344) 20.147 1.138 ( 7.042 7.450 17.344) 20.147 1.391 ( -0.285 18.866 -16.389) 24.992 1.391 ( 0.285 18.866 16.389) 24.992 2.068 ( -15.914 15.111 -23.374) 32.062 2.068 ( 15.914 15.111 23.374) 32.062 2.448 ( -4.980 -11.157 -6.865) 14.015 2.448 ( 4.980 -11.157 6.865) 14.015 2.897 ( -2.385 -1.018 -3.374) 4.255 2.897 ( 2.385 -1.018 3.374) 4.255 2.996 ( 3.472 0.021 -9.441) 10.060 2.996 ( -3.472 0.021 9.441) 10.060 3.225 ( -0.953 12.330 -6.413) 13.931 3.225 ( 0.953 12.330 6.413) 13.931 3.403 ( 0.890 -2.499 -3.319) 4.249 3.403 ( -0.890 -2.499 3.319) 4.249 3.473 ( 0.379 -4.082 -4.522) 6.104 3.473 ( -0.379 -4.082 4.522) 6.104 3.687 ( -5.899 3.491 -7.044) 9.828 3.687 ( 5.899 3.491 7.044) 9.828 3.824 ( -1.892 1.035 -1.890) 2.868 3.824 ( 1.892 1.035 1.890) 2.868 4.039 ( -3.549 5.427 -4.582) 7.940 4.039 ( 3.549 5.427 4.582) 7.940 4.082 ( 3.015 2.750 -6.906) 8.022 4.082 ( -3.015 2.750 6.906) 8.022 4.215 ( -5.764 0.975 -1.167) 5.962 4.215 ( 5.764 0.975 1.167) 5.962 4.595 ( 1.480 3.341 -8.493) 9.246 4.595 ( -1.480 3.341 8.493) 9.246 4.684 ( -2.100 -1.809 -7.844) 8.319 4.684 ( 2.100 -1.809 7.844) 8.319 5.181 ( -4.220 -3.752 -1.749) 5.912 5.181 ( 4.220 -3.752 1.749) 5.912 5.446 ( 7.005 -4.205 -8.964) 12.128 5.446 ( -7.005 -4.205 8.964) 12.128 5.774 ( 2.597 2.493 -5.205) 6.329 5.774 ( -2.597 2.493 5.205) 6.329 5.905 ( 0.830 0.456 -2.239) 2.431 5.905 ( -0.830 0.456 2.239) 2.431 6.205 ( -7.120 -1.206 -1.387) 7.353 6.205 ( 7.120 -1.206 1.387) 7.353 6.465 ( 3.294 -0.790 -4.353) 5.515 6.465 ( -3.294 -0.790 4.353) 5.515 6.559 ( 1.667 2.596 -1.950) 3.650 6.559 ( -1.667 2.596 1.950) 3.650 6.671 ( -2.781 0.852 -4.829) 5.637 6.671 ( 2.781 0.852 4.829) 5.637 6.733 ( 2.215 2.579 -2.356) 4.136 6.733 ( -2.215 2.579 2.356) 4.136 6.827 ( -1.817 5.020 -2.902) 6.076 6.827 ( 1.817 5.020 2.902) 6.076 7.242 ( -0.661 4.158 -1.380) 4.430 7.242 ( 0.661 4.158 1.380) 4.430 7.419 ( 1.100 1.623 -2.375) 3.079 7.419 ( -1.100 1.623 2.375) 3.079 7.555 ( -3.348 -0.207 -0.827) 3.455 7.555 ( 3.348 -0.207 0.827) 3.455 7.699 ( -0.671 3.131 -0.093) 3.204 7.699 ( 0.671 3.131 0.093) 3.204 7.922 ( -3.648 2.030 -0.818) 4.254 7.922 ( 3.648 2.030 0.818) 4.254 8.077 ( 1.103 -0.196 -3.659) 3.826 8.077 ( -1.103 -0.196 3.659) 3.826 8.169 ( -1.902 -0.575 -0.843) 2.159 8.169 ( 1.902 -0.575 0.843) 2.159 8.905 ( -1.169 -14.817 -4.861) 15.638 8.905 ( 1.169 -14.817 4.861) 15.638 9.399 ( -1.315 -2.845 -1.044) 3.304 9.399 ( 1.315 -2.845 1.044) 3.304 9.980 ( -8.626 -14.902 -5.033) 17.939 9.980 ( 8.626 -14.902 5.033) 17.939 12.542 ( -0.529 -0.034 -2.378) 2.437 12.542 ( 0.529 -0.034 2.378) 2.437 12.796 ( -0.157 -0.114 -0.978) 0.997 12.796 ( 0.157 -0.114 0.978) 0.997 13.130 ( -1.034 -2.430 -1.003) 2.825 13.130 ( 1.034 -2.430 1.003) 2.825 13.400 ( -2.978 -5.356 -1.340) 6.273 13.400 ( 2.978 -5.356 1.340) 6.273 14.580 ( -1.265 11.477 -0.966) 11.587 14.580 ( 1.265 11.477 0.966) 11.587 14.655 ( -1.045 13.582 -0.270) 13.625 14.655 ( 1.045 13.582 0.270) 13.625 14.916 ( -0.667 0.053 -0.298) 0.733 14.916 ( 0.667 0.053 0.298) 0.733 15.074 ( -2.955 -0.956 -1.098) 3.294 15.074 ( 2.955 -0.956 1.098) 3.294 18.289 ( -0.879 -2.293 -1.115) 2.697 18.289 ( 0.879 -2.293 1.115) 2.697 18.447 ( -0.603 -1.942 -0.245) 2.048 18.447 ( 0.603 -1.942 0.245) 2.048 18.540 ( -0.484 -9.603 -1.298) 9.702 18.540 ( 0.484 -9.603 1.298) 9.702 18.755 ( -0.882 -6.438 -0.409) 6.511 18.755 ( 0.882 -6.438 0.409) 6.511 20.684 ( 0.044 2.480 -0.310) 2.500 20.684 ( -0.044 2.480 0.310) 2.500 20.889 ( 0.096 -0.923 -0.500) 1.054 20.889 ( -0.096 -0.923 0.500) 1.054 21.164 ( -0.035 0.078 -0.783) 0.788 21.164 ( 0.035 0.078 0.783) 0.788 21.243 ( -1.153 -0.386 -0.075) 1.218 21.243 ( 1.153 -0.386 0.075) 1.218 22.368 ( 1.195 -4.796 -0.753) 5.000 22.368 ( -1.195 -4.796 0.753) 5.000 22.431 ( -1.283 -1.649 -0.125) 2.093 22.431 ( 1.283 -1.649 0.125) 2.093 24.074 ( -1.474 -0.735 -0.117) 1.651 24.074 ( 1.474 -0.735 0.117) 1.651 24.117 ( -0.620 0.550 -0.095) 0.834 24.117 ( 0.620 0.550 0.095) 0.834 27.095 ( -5.340 -6.148 -1.608) 8.301 27.095 ( 5.340 -6.148 1.608) 8.301 27.149 ( -1.145 -3.039 -1.320) 3.505 27.149 ( 1.145 -3.039 1.320) 3.505 27.477 ( -1.210 6.067 -0.188) 6.190 27.477 ( 1.210 6.067 0.188) 6.190 27.532 ( 1.292 9.263 -3.073) 9.845 27.532 ( -1.292 9.263 3.073) 9.845 33.795 ( -3.046 0.902 -1.974) 3.740 33.795 ( 3.046 0.902 1.974) 3.740 33.894 ( -2.454 -0.165 -1.048) 2.673 33.894 ( 2.454 -0.165 1.048) 2.673 33.932 ( -0.921 2.307 -1.796) 3.065 33.932 ( 0.921 2.307 1.796) 3.065 34.257 ( -8.476 -5.342 -4.345) 10.920 34.257 ( 8.476 -5.342 4.345) 10.920 34.651 ( -1.445 6.291 -0.897) 6.517 34.651 ( 1.445 6.291 0.897) 6.517 34.907 ( -2.174 7.136 -1.692) 7.649 34.907 ( 2.174 7.136 1.692) 7.649 35.617 ( 0.434 -1.574 -1.006) 1.918 35.617 ( -0.434 -1.574 1.006) 1.918 36.028 ( -1.278 -0.425 -0.148) 1.355 36.028 ( 1.278 -0.425 0.148) 1.355 36.968 ( 0.468 3.846 -0.753) 3.946 36.968 ( -0.468 3.846 0.753) 3.946 37.041 ( 2.796 2.756 -6.230) 7.364 37.041 ( -2.796 2.756 6.230) 7.364 37.673 ( -6.439 0.163 0.115) 6.442 37.673 ( 6.439 0.163 -0.115) 6.442 38.188 ( 32.975 14.765 -13.148) 38.448 38.188 ( -32.975 14.765 13.148) 38.448 ======================= Grid point 138 (63/76) ======================= q-point: ( 0.11 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 6.290 6.639 -18.274) 20.435 1.229 ( -0.513 19.564 -21.246) 28.886 1.429 ( 11.113 4.483 13.463) 18.024 1.552 ( 5.989 12.313 5.197) 14.646 1.908 ( 20.920 25.848 -9.889) 34.692 2.339 ( -1.076 -14.025 4.131) 14.660 2.426 ( 7.246 1.880 -0.970) 7.549 2.733 ( 12.306 0.902 2.644) 12.619 2.833 ( -1.800 -1.642 0.229) 2.447 2.940 ( 0.683 -0.869 -0.569) 1.243 3.002 ( 4.257 1.197 -5.205) 6.830 3.075 ( 2.743 4.715 6.998) 8.873 3.186 ( 1.576 6.425 0.495) 6.634 3.299 ( -0.808 8.075 -0.019) 8.115 3.366 ( -0.811 -6.257 -1.266) 6.435 3.415 ( 0.519 1.976 8.956) 9.186 3.461 ( 1.811 -0.597 -2.135) 2.862 3.492 ( -0.307 -2.639 -4.226) 4.992 3.537 ( -2.561 -3.525 3.638) 5.676 3.700 ( -6.905 5.680 1.681) 9.098 3.785 ( -4.133 6.973 0.449) 8.118 3.840 ( -1.989 2.614 -4.558) 5.618 3.942 ( -3.525 -7.739 0.459) 8.516 4.034 ( -0.978 7.149 -6.167) 9.492 4.086 ( 2.067 2.283 2.264) 3.822 4.124 ( -0.953 8.029 0.914) 8.137 4.177 ( 0.358 3.981 8.624) 9.505 4.313 ( 3.935 1.841 -3.622) 5.656 4.546 ( -0.484 -0.431 1.578) 1.706 4.577 ( -1.362 2.982 -1.620) 3.657 4.720 ( 4.217 1.335 6.644) 7.981 4.815 ( 2.521 0.459 6.907) 7.367 5.078 ( -5.134 1.425 -3.589) 6.424 5.241 ( 2.274 -9.352 -1.284) 9.710 5.386 ( -4.507 -6.158 5.504) 9.408 5.516 ( 8.565 -2.722 -9.461) 13.050 5.765 ( 1.516 3.728 -5.047) 6.455 5.796 ( 0.691 0.068 1.928) 2.049 5.884 ( -2.452 -0.305 -0.141) 2.475 5.925 ( 2.109 0.632 1.215) 2.515 6.053 ( -7.590 0.250 4.105) 8.632 6.299 ( 1.756 -1.624 -3.739) 4.439 6.441 ( -3.951 -0.987 2.562) 4.812 6.471 ( 1.468 1.137 -3.845) 4.270 6.535 ( -1.365 0.925 -0.077) 1.651 6.575 ( -3.734 0.203 -2.855) 4.705 6.612 ( 3.131 1.469 -1.532) 3.783 6.691 ( -1.790 1.944 1.649) 3.115 6.745 ( -0.238 3.929 0.484) 3.966 6.768 ( -0.016 4.565 -2.740) 5.324 6.792 ( 3.604 1.577 4.866) 6.257 6.872 ( 1.135 3.959 1.457) 4.368 7.193 ( -2.705 0.864 -0.588) 2.900 7.285 ( 0.791 5.209 -0.778) 5.326 7.365 ( -7.100 -2.247 -0.710) 7.481 7.397 ( -1.820 4.000 -1.197) 4.554 7.429 ( -5.163 -2.582 0.052) 5.773 7.562 ( -2.017 2.141 -0.522) 2.987 7.666 ( -2.152 3.627 0.486) 4.245 7.733 ( 2.758 4.108 1.350) 5.129 7.900 ( -0.042 3.350 0.591) 3.402 7.993 ( 0.655 2.009 0.160) 2.119 8.047 ( -1.296 -1.073 -3.836) 4.189 8.091 ( 0.271 1.144 3.187) 3.397 8.123 ( -2.403 -1.122 0.443) 2.689 8.240 ( 4.544 -1.295 2.040) 5.147 8.833 ( -5.132 -14.053 -3.489) 15.362 9.025 ( 6.638 -15.848 7.488) 18.743 9.350 ( -3.115 -3.687 2.262) 5.331 9.430 ( -1.202 -0.964 1.303) 2.018 9.761 ( -10.283 -11.840 -3.788) 16.133 10.063 ( -2.050 -15.406 -0.215) 15.543 12.525 ( 0.910 -0.407 -1.746) 2.010 12.588 ( 2.413 0.465 2.312) 3.374 12.788 ( 0.009 -0.068 -1.228) 1.230 12.815 ( 0.794 0.309 1.001) 1.314 13.098 ( -1.029 -1.638 -1.086) 2.219 13.144 ( -0.090 -4.739 0.470) 4.763 13.345 ( -1.565 -3.730 -1.313) 4.253 13.456 ( 2.259 -6.128 0.139) 6.532 14.553 ( -1.701 10.220 -0.357) 10.367 14.606 ( 0.118 11.507 0.488) 11.518 14.622 ( -0.391 11.572 -0.680) 11.598 14.643 ( -1.868 15.704 -1.118) 15.855 14.950 ( 3.165 -0.178 0.913) 3.299 14.975 ( 3.060 1.042 0.225) 3.240 15.018 ( 0.126 -1.668 -0.632) 1.788 15.125 ( 2.699 -2.244 -0.482) 3.543 18.275 ( -0.022 -2.336 -0.274) 2.352 18.318 ( 0.756 -0.429 1.327) 1.586 18.412 ( -2.023 -2.324 -1.356) 3.366 18.436 ( -0.950 -3.427 -0.967) 3.685 18.527 ( -0.747 -12.643 -0.490) 12.675 18.570 ( 0.577 -7.245 2.572) 7.709 18.714 ( -3.085 -5.906 -0.378) 6.674 18.740 ( -2.506 -6.673 -0.851) 7.179 20.678 ( -0.361 2.124 0.195) 2.163 20.690 ( 0.212 2.747 -0.099) 2.757 20.885 ( -0.053 -1.040 0.068) 1.043 20.896 ( 0.337 -0.802 0.196) 0.892 21.156 ( -0.053 0.122 -0.898) 0.907 21.174 ( 0.402 -0.100 0.499) 0.649 21.224 ( -1.142 -0.062 0.490) 1.244 21.261 ( 0.696 -0.738 0.219) 1.038 22.297 ( -5.265 -2.263 2.342) 6.190 22.382 ( -0.734 -2.790 -0.068) 2.886 22.421 ( 0.618 -2.570 -0.396) 2.673 22.469 ( 1.064 -5.672 -2.729) 6.384 24.050 ( -1.111 -0.030 -0.089) 1.115 24.091 ( 0.116 -1.267 0.191) 1.287 24.115 ( 0.597 0.307 -0.404) 0.783 24.135 ( 1.155 0.354 0.101) 1.212 26.999 ( -0.974 -2.150 -1.554) 2.826 27.119 ( -1.387 -2.841 -0.148) 3.165 27.128 ( -0.044 -3.025 -1.559) 3.403 27.229 ( 4.371 -6.016 0.926) 7.493 27.459 ( -0.762 5.392 0.098) 5.447 27.491 ( -0.070 5.838 -1.035) 5.930 27.514 ( -0.734 9.687 0.378) 9.723 27.548 ( 0.740 10.536 1.630) 10.687 33.706 ( -5.461 1.199 -0.752) 5.642 33.784 ( -5.137 0.324 -0.257) 5.154 33.881 ( 1.084 0.347 0.876) 1.436 33.899 ( -0.580 1.535 -1.504) 2.226 33.918 ( -0.341 0.276 -0.168) 0.470 33.964 ( 0.231 2.590 2.664) 3.723 34.090 ( -5.990 -0.601 -2.895) 6.680 34.407 ( 4.064 -9.256 0.543) 10.123 34.622 ( -1.326 4.730 1.743) 5.213 34.690 ( 1.881 6.249 3.027) 7.194 34.830 ( -3.022 6.780 -1.784) 7.634 34.964 ( 4.011 8.664 -1.065) 9.607 35.670 ( 4.598 -1.993 -0.203) 5.016 35.691 ( 8.020 -2.451 -0.190) 8.389 36.056 ( 3.959 -0.391 0.586) 4.021 36.121 ( 8.547 -3.125 1.753) 9.268 36.925 ( -3.528 2.143 2.408) 4.779 36.978 ( -3.507 2.913 1.586) 4.828 37.019 ( 3.258 -0.396 -9.187) 9.756 37.077 ( 4.345 7.719 3.535) 9.537 37.401 ( -19.413 18.197 8.687) 27.991 37.722 ( -1.220 5.355 -0.805) 5.551 37.896 ( -10.991 18.559 5.278) 22.206 38.596 ( 29.195 -5.893 -22.168) 37.129 ======================= Grid point 139 (64/76) ======================= q-point: ( 0.22 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 19.883 2.015 -15.473) 25.275 1.213 ( 17.277 12.076 -6.564) 22.078 1.718 ( 10.992 1.508 4.497) 11.972 1.770 ( 11.059 5.196 8.713) 15.007 2.312 ( 22.497 10.070 -3.112) 24.844 2.373 ( 10.939 2.475 0.454) 11.224 2.506 ( 3.785 5.459 -3.604) 7.558 2.805 ( 2.117 -4.106 2.375) 5.194 2.834 ( -1.835 5.930 -0.274) 6.213 2.907 ( -1.407 2.144 -5.705) 6.255 3.018 ( 1.202 -0.787 -1.055) 1.783 3.075 ( -4.084 9.868 -6.065) 12.282 3.203 ( 0.587 8.340 0.491) 8.376 3.251 ( 0.861 -2.215 -0.076) 2.378 3.353 ( 1.101 -7.127 -8.198) 10.919 3.422 ( -2.859 4.601 -1.189) 5.546 3.457 ( 1.375 -3.374 0.175) 3.648 3.524 ( -1.513 -0.369 6.640) 6.820 3.599 ( -7.146 3.347 5.898) 9.851 3.668 ( -8.393 7.942 -3.309) 12.020 3.709 ( -0.662 -2.831 -1.860) 3.451 3.812 ( 11.836 -1.068 13.383) 17.898 3.916 ( -2.676 1.145 0.788) 3.015 4.003 ( 1.389 3.293 -1.389) 3.834 4.067 ( -5.748 4.829 4.272) 8.638 4.169 ( 3.244 8.022 -5.712) 10.368 4.210 ( -1.603 -2.052 -0.032) 2.604 4.335 ( 1.951 6.596 6.289) 9.320 4.519 ( -1.266 5.840 -4.190) 7.298 4.657 ( 3.238 -1.184 11.011) 11.538 4.828 ( -3.897 1.364 -0.915) 4.229 4.860 ( 2.447 0.649 5.172) 5.758 4.976 ( 0.161 3.180 -1.959) 3.738 5.237 ( -0.164 -9.110 -5.811) 10.807 5.413 ( 2.524 -7.139 4.950) 9.046 5.561 ( 6.309 -1.420 -10.409) 12.255 5.728 ( 0.263 2.993 -5.287) 6.081 5.792 ( -2.243 1.408 -3.081) 4.063 5.854 ( -1.476 -3.255 4.966) 6.119 5.975 ( 0.647 -2.408 2.132) 3.281 6.073 ( 4.579 1.561 5.823) 7.571 6.223 ( -4.214 0.496 -4.465) 6.160 6.351 ( -3.530 -1.483 -4.878) 6.202 6.465 ( -0.394 -3.460 -1.245) 3.698 6.488 ( -3.311 0.676 1.466) 3.683 6.536 ( 1.524 3.022 -0.423) 3.411 6.605 ( 0.104 2.880 -2.026) 3.523 6.714 ( -0.794 3.892 1.106) 4.123 6.734 ( 0.727 5.420 -0.994) 5.559 6.768 ( 1.485 2.506 -3.016) 4.193 6.889 ( 1.007 3.035 0.303) 3.212 6.916 ( 4.707 2.344 4.932) 7.209 7.074 ( -9.343 0.020 -0.336) 9.349 7.248 ( 1.134 1.238 0.328) 1.711 7.319 ( -4.356 3.956 -0.940) 5.959 7.339 ( -1.228 -4.166 1.343) 4.546 7.411 ( -0.402 1.187 3.436) 3.658 7.528 ( -1.166 4.664 1.207) 4.957 7.661 ( -0.366 3.263 2.508) 4.132 7.776 ( -0.049 1.764 0.798) 1.937 7.865 ( -4.854 1.822 -0.679) 5.229 7.936 ( -4.859 5.419 -1.496) 7.431 7.967 ( -3.349 -1.390 -3.913) 5.335 8.072 ( -1.893 1.527 -1.972) 3.131 8.173 ( 3.637 1.191 4.244) 5.715 8.347 ( 4.167 -3.651 3.549) 6.579 8.656 ( -11.059 -11.181 -2.740) 15.963 9.182 ( 2.574 -18.633 4.115) 19.255 9.294 ( -7.897 -0.605 -3.334) 8.593 9.365 ( -3.566 -3.298 0.987) 4.956 9.615 ( -5.843 -10.054 1.960) 11.792 9.962 ( -4.688 -11.975 -4.938) 13.776 12.545 ( 2.710 -0.722 -0.856) 2.932 12.655 ( 2.703 0.445 2.221) 3.527 12.769 ( -0.564 0.152 -1.916) 2.003 12.828 ( -0.011 0.383 0.308) 0.491 13.094 ( 0.824 -1.612 0.481) 1.873 13.141 ( -0.407 -4.238 0.251) 4.265 13.335 ( 0.640 -4.620 0.694) 4.716 13.471 ( 0.279 -6.367 -1.436) 6.533 14.513 ( -1.801 7.448 -0.174) 7.664 14.588 ( -2.801 15.698 -1.324) 16.001 14.608 ( 0.355 11.193 0.835) 11.230 14.640 ( 0.959 12.526 0.568) 12.576 14.926 ( -1.296 3.269 -1.937) 4.014 15.031 ( 3.994 -1.287 -0.226) 4.202 15.130 ( 6.160 -2.490 2.049) 6.953 15.158 ( 3.185 -3.270 -1.353) 4.761 18.278 ( 0.237 -1.708 -0.278) 1.746 18.328 ( -0.460 2.895 0.759) 3.028 18.373 ( -1.239 -4.139 -0.632) 4.367 18.409 ( -1.236 -4.406 -0.584) 4.614 18.502 ( -1.497 -11.939 -0.246) 12.035 18.585 ( -0.918 -9.437 0.485) 9.494 18.653 ( -4.104 -5.814 0.302) 7.123 18.668 ( -4.395 -6.308 -0.615) 7.712 20.675 ( -0.211 1.929 0.283) 1.961 20.689 ( 0.007 2.718 -0.465) 2.758 20.888 ( 0.109 -1.101 0.257) 1.136 20.902 ( 0.255 -0.787 -0.003) 0.828 21.147 ( -0.090 0.208 -0.649) 0.687 21.182 ( 0.187 -0.374 -0.067) 0.423 21.214 ( -0.791 0.154 0.850) 1.171 21.267 ( 0.034 -0.763 -0.310) 0.824 22.243 ( -3.479 -0.760 2.155) 4.162 22.343 ( -2.343 -5.286 -5.945) 8.293 22.396 ( -0.847 -0.921 -0.955) 1.574 22.459 ( -0.085 -1.345 1.137) 1.764 24.036 ( -0.489 0.067 0.059) 0.497 24.086 ( -0.471 -0.918 -0.262) 1.065 24.122 ( 0.630 0.563 -0.227) 0.875 24.154 ( 1.010 0.422 0.217) 1.116 27.057 ( 4.421 -2.598 2.917) 5.899 27.087 ( -1.344 -2.591 -0.915) 3.059 27.117 ( 0.386 -2.695 -0.487) 2.766 27.285 ( 2.163 -4.461 -0.588) 4.993 27.452 ( -0.460 5.137 0.103) 5.159 27.467 ( -0.728 5.555 -1.132) 5.715 27.509 ( -0.375 10.065 0.549) 10.087 27.592 ( 1.600 10.031 2.298) 10.414 33.606 ( -6.100 0.702 0.500) 6.161 33.686 ( -5.757 2.050 -0.096) 6.112 33.870 ( -0.844 0.525 -0.949) 1.374 33.894 ( -0.655 0.768 -0.023) 1.010 33.909 ( -0.187 0.441 0.147) 0.502 33.977 ( 0.081 1.938 1.063) 2.212 34.045 ( -0.618 -4.110 2.954) 5.099 34.394 ( -1.331 -7.152 -4.247) 8.424 34.621 ( -0.750 1.738 0.729) 2.029 34.761 ( -0.980 7.749 -2.968) 8.356 34.786 ( 2.623 1.515 4.690) 5.583 35.062 ( 6.914 10.149 0.809) 12.307 35.743 ( 4.562 -1.827 0.095) 4.915 35.854 ( 10.748 -3.607 -0.052) 11.337 36.146 ( 4.785 -2.625 0.315) 5.467 36.257 ( 5.246 -4.808 -0.796) 7.160 36.871 ( -4.694 1.717 2.050) 5.403 36.969 ( 2.388 5.047 -1.594) 5.807 36.997 ( 1.863 6.172 -4.642) 7.944 37.102 ( -3.545 7.485 -3.580) 9.023 37.473 ( 6.037 7.892 19.617) 21.990 37.688 ( -2.941 8.134 7.759) 11.620 37.820 ( -4.657 16.302 11.897) 20.712 38.774 ( 16.618 -13.728 -23.695) 32.032 ======================= Grid point 140 (65/76) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 21.292 -3.347 -10.718) 24.071 1.601 ( 23.588 4.663 7.071) 25.063 1.856 ( 2.176 -4.191 2.713) 5.446 1.998 ( 8.200 2.777 4.592) 9.800 2.382 ( 0.580 -10.792 -1.561) 10.920 2.504 ( 2.260 4.059 -6.417) 7.922 2.748 ( -2.807 5.779 -4.010) 7.573 2.834 ( 4.630 11.238 -2.816) 12.477 2.855 ( 14.676 13.026 0.321) 19.626 2.874 ( 0.853 -0.174 3.550) 3.655 2.963 ( 2.721 14.635 -1.492) 14.960 3.032 ( -0.191 -1.733 1.317) 2.185 3.215 ( -2.392 -5.977 -9.994) 11.888 3.243 ( 2.049 7.125 -3.290) 8.110 3.295 ( 2.067 6.956 3.832) 8.206 3.360 ( -3.093 4.019 -1.006) 5.171 3.492 ( -4.795 1.238 -2.088) 5.374 3.521 ( 1.020 -3.290 4.222) 5.449 3.555 ( -2.633 -5.083 4.980) 7.587 3.607 ( -0.864 4.239 7.080) 8.298 3.699 ( 0.825 -0.526 -0.082) 0.982 3.900 ( 1.186 4.420 0.590) 4.614 3.960 ( -3.659 9.448 -3.485) 10.715 4.025 ( -1.298 1.802 5.246) 5.697 4.061 ( 3.514 -1.077 7.573) 8.418 4.086 ( -0.677 0.638 -5.666) 5.742 4.239 ( 1.618 4.768 -0.070) 5.036 4.350 ( -1.358 3.496 -3.796) 5.337 4.497 ( -2.193 5.388 -0.096) 5.817 4.677 ( -7.775 6.076 -1.281) 9.951 4.833 ( 0.854 -1.157 8.104) 8.231 4.839 ( -0.041 -0.343 2.887) 2.908 5.084 ( 2.236 -4.756 -3.043) 6.073 5.173 ( 5.946 -0.959 -6.120) 8.586 5.489 ( 6.290 -4.615 -13.815) 15.866 5.519 ( -5.990 -3.259 4.681) 8.271 5.707 ( 1.213 2.364 -2.580) 3.703 5.728 ( -2.342 1.210 -0.220) 2.645 5.872 ( 0.429 -2.796 1.796) 3.351 6.021 ( 0.940 -4.249 5.589) 7.083 6.153 ( -1.364 0.115 -1.570) 2.083 6.199 ( 1.583 5.039 2.656) 5.912 6.307 ( 4.558 -4.135 -3.598) 7.129 6.388 ( -7.585 -1.840 3.134) 8.410 6.500 ( 2.025 -0.560 -0.712) 2.219 6.583 ( -0.167 5.774 -2.681) 6.368 6.593 ( 3.399 1.155 0.928) 3.708 6.683 ( -1.138 2.658 -0.186) 2.897 6.747 ( 2.744 2.287 -3.030) 4.684 6.773 ( 4.907 2.618 -2.753) 6.206 6.927 ( 3.069 4.071 0.430) 5.117 6.990 ( 0.006 1.030 6.196) 6.281 7.048 ( 1.052 2.585 3.956) 4.842 7.197 ( -6.785 1.036 -1.852) 7.109 7.306 ( 3.701 3.037 3.478) 5.917 7.357 ( -0.782 -3.499 4.752) 5.952 7.439 ( 0.561 2.275 1.537) 2.802 7.556 ( 0.505 3.012 4.808) 5.696 7.681 ( -4.837 0.071 -2.803) 5.591 7.692 ( -2.082 2.710 2.034) 3.977 7.776 ( -4.775 3.815 -0.805) 6.165 7.853 ( -4.257 1.388 -0.201) 4.482 7.893 ( -0.720 4.068 -1.864) 4.532 8.001 ( -3.942 3.414 -3.802) 6.454 8.276 ( 4.261 1.683 1.848) 4.940 8.348 ( -6.017 -5.595 -4.782) 9.506 8.533 ( -2.611 -7.834 7.513) 11.164 8.935 ( -17.104 -10.130 -13.754) 24.173 9.259 ( 1.163 -8.705 -0.995) 8.838 9.332 ( -2.624 -3.561 0.231) 4.429 9.588 ( -1.986 -9.819 6.839) 12.130 9.851 ( -3.114 -10.421 -5.711) 12.285 12.593 ( 3.256 -1.130 -0.222) 3.454 12.712 ( 1.666 -0.977 2.056) 2.821 12.739 ( -0.478 0.308 -2.176) 2.249 12.828 ( -0.311 0.321 0.552) 0.710 13.117 ( 0.756 -1.077 0.605) 1.448 13.133 ( -0.585 -1.820 -0.271) 1.931 13.369 ( 1.280 -6.241 2.700) 6.919 13.452 ( -0.262 -6.465 -2.105) 6.804 14.502 ( -0.458 7.794 1.521) 7.955 14.539 ( -1.697 15.168 -0.884) 15.289 14.617 ( -0.383 10.979 0.646) 11.005 14.650 ( 0.044 12.886 -0.492) 12.896 14.933 ( 2.373 2.324 1.621) 3.696 15.081 ( 2.227 0.641 -0.850) 2.468 15.166 ( 2.458 -5.815 -1.930) 6.601 15.257 ( 4.070 -3.206 0.683) 5.225 18.265 ( -0.673 -2.001 -0.425) 2.153 18.337 ( 1.194 2.630 -0.196) 2.896 18.367 ( 0.002 -1.757 1.265) 2.164 18.380 ( -2.231 -2.120 -0.596) 3.135 18.475 ( -1.051 -12.362 -0.558) 12.419 18.547 ( -2.115 -10.202 -1.879) 10.587 18.588 ( -3.460 -6.698 1.276) 7.646 18.602 ( -3.987 -7.644 0.719) 8.651 20.676 ( -0.117 1.916 0.363) 1.953 20.684 ( 0.073 2.469 -0.625) 2.548 20.893 ( 0.140 -1.111 0.406) 1.191 20.904 ( 0.173 -0.852 -0.257) 0.906 21.145 ( 0.176 0.235 0.070) 0.302 21.179 ( -0.067 -0.301 -0.696) 0.761 21.212 ( -0.401 0.173 0.990) 1.082 21.258 ( -0.421 -0.517 -0.940) 1.152 22.213 ( -2.196 -0.287 1.908) 2.924 22.251 ( -1.061 -1.746 -5.813) 6.161 22.397 ( 0.511 -0.624 0.866) 1.183 22.464 ( -0.901 -1.601 1.357) 2.284 24.033 ( -0.022 -0.050 0.267) 0.272 24.072 ( -0.620 -0.577 -0.756) 1.135 24.137 ( 0.924 0.737 0.531) 1.296 24.170 ( 0.484 0.342 0.205) 0.627 27.065 ( -0.145 -2.141 -0.748) 2.273 27.095 ( -0.019 -1.241 -0.172) 1.253 27.177 ( 2.821 -4.735 3.620) 6.594 27.298 ( 0.651 -3.051 -1.783) 3.593 27.438 ( -0.612 6.099 -0.473) 6.148 27.453 ( -0.399 5.106 -0.690) 5.168 27.521 ( 0.770 8.625 1.493) 8.787 27.618 ( -0.030 8.761 0.245) 8.765 33.518 ( -4.592 0.584 0.937) 4.723 33.590 ( -5.033 3.270 -0.939) 6.076 33.852 ( -0.366 -0.280 0.267) 0.532 33.892 ( -0.009 0.764 0.535) 0.933 33.910 ( 0.057 0.240 -0.024) 0.248 33.979 ( -0.447 1.338 -0.729) 1.587 34.086 ( 0.309 -8.223 6.720) 10.624 34.329 ( -1.083 -8.054 -5.818) 9.994 34.616 ( -0.261 2.124 0.475) 2.192 34.696 ( -1.325 4.919 -4.056) 6.512 34.907 ( 4.575 3.472 5.762) 8.136 35.147 ( 3.003 9.098 -2.549) 9.914 35.848 ( 6.087 -2.085 3.501) 7.325 36.035 ( 9.618 -5.130 1.120) 10.958 36.181 ( 0.227 -3.893 -2.182) 4.469 36.311 ( 2.588 -2.973 -1.513) 4.222 36.825 ( -2.037 4.053 1.123) 4.673 36.977 ( 0.289 4.069 -8.371) 9.312 37.007 ( 1.711 10.986 0.584) 11.133 37.030 ( 0.111 11.521 -0.054) 11.521 37.514 ( -2.437 0.616 -1.421) 2.888 37.646 ( -7.945 6.905 3.446) 11.076 38.161 ( 5.641 0.058 39.876) 40.273 38.781 ( 9.712 -15.049 -23.988) 29.937 ======================= Grid point 141 (66/76) ======================= q-point: ( 0.44 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 18.211 -5.514 -6.474) 20.099 1.763 ( -10.081 -3.868 2.876) 11.174 2.103 ( 16.785 -1.635 12.721) 21.124 2.167 ( 10.119 1.936 2.240) 10.543 2.310 ( -6.416 -6.243 -2.286) 9.239 2.436 ( -3.971 0.425 -10.635) 11.360 2.663 ( 0.482 9.294 -6.689) 11.461 2.704 ( -9.620 11.486 1.573) 15.065 2.930 ( 3.310 1.783 2.354) 4.436 2.981 ( -0.000 4.076 4.646) 6.181 3.019 ( 1.262 3.330 -1.063) 3.717 3.104 ( -1.495 10.188 -2.799) 10.671 3.181 ( 4.735 1.411 -5.450) 7.357 3.229 ( -2.513 7.422 1.626) 8.003 3.339 ( 5.007 8.413 1.449) 9.897 3.388 ( 0.730 7.211 1.372) 7.376 3.437 ( 2.952 -7.545 -0.338) 8.109 3.521 ( -5.499 -8.767 2.476) 10.641 3.608 ( 2.865 -1.574 1.344) 3.534 3.632 ( -1.155 0.277 3.132) 3.350 3.730 ( 2.186 2.292 1.604) 3.550 3.827 ( -4.434 4.167 -6.354) 8.797 3.967 ( 6.065 5.243 -0.853) 8.063 4.036 ( -3.187 0.747 3.949) 5.129 4.138 ( 5.675 4.635 5.397) 9.100 4.172 ( 2.083 3.997 6.190) 7.657 4.243 ( -0.907 4.962 -0.837) 5.114 4.287 ( -1.151 3.322 -6.890) 7.736 4.435 ( 0.231 8.150 -4.294) 9.215 4.501 ( -9.042 10.297 -1.207) 13.757 4.859 ( 0.401 -4.062 4.731) 6.248 4.934 ( -1.904 -5.317 -2.387) 6.131 5.037 ( 4.908 -3.239 4.379) 7.332 5.219 ( -4.919 1.521 -5.351) 7.426 5.406 ( 10.414 -3.412 -16.191) 19.551 5.488 ( -9.353 -2.199 9.951) 13.832 5.704 ( 0.572 0.576 -0.560) 0.986 5.714 ( -0.601 1.293 0.048) 1.427 5.944 ( 6.178 -1.040 2.782) 6.855 6.070 ( -1.831 -1.863 3.119) 4.068 6.101 ( -2.342 -0.232 -1.874) 3.008 6.150 ( -5.012 2.065 -1.884) 5.738 6.341 ( 1.463 -2.022 1.981) 3.186 6.373 ( 0.461 -1.591 -0.024) 1.657 6.515 ( 0.930 1.641 -0.488) 1.949 6.541 ( -1.096 4.115 -1.938) 4.679 6.656 ( 2.676 0.571 1.031) 2.924 6.691 ( 0.322 1.471 -1.308) 1.994 6.822 ( 6.312 2.640 2.091) 7.155 6.879 ( 7.814 -0.042 -2.741) 8.281 6.995 ( -0.398 3.739 0.653) 3.817 7.024 ( 0.088 3.262 0.031) 3.264 7.045 ( -1.872 0.165 3.500) 3.972 7.089 ( -4.667 2.001 0.283) 5.086 7.379 ( 0.955 -3.093 4.775) 5.768 7.443 ( -0.197 1.051 -1.689) 1.999 7.477 ( 5.794 1.075 4.882) 7.653 7.548 ( -4.008 0.099 1.088) 4.154 7.592 ( 0.859 3.286 1.319) 3.644 7.663 ( -3.878 1.642 1.641) 4.520 7.760 ( -2.858 -0.469 2.582) 3.880 7.796 ( 1.740 3.917 -4.389) 6.134 7.887 ( -2.244 6.188 -2.433) 7.018 7.906 ( 0.713 7.082 0.339) 7.125 8.201 ( -2.765 -3.512 -3.928) 5.951 8.267 ( -7.547 -0.142 -2.803) 8.052 8.573 ( -2.326 -8.976 7.738) 12.077 8.623 ( -2.043 -9.586 -10.473) 14.344 9.261 ( 0.772 -6.013 -0.981) 6.141 9.284 ( -2.346 -4.135 -0.321) 4.765 9.651 ( 1.059 -10.070 8.161) 13.004 9.750 ( -2.363 -10.243 -7.090) 12.680 12.644 ( 2.772 -1.629 0.194) 3.221 12.691 ( -2.314 -1.653 -0.665) 2.921 12.776 ( 2.979 0.505 0.769) 3.118 12.819 ( -1.498 0.738 0.185) 1.680 13.120 ( -0.307 -1.161 -0.370) 1.257 13.121 ( -0.276 -1.246 -0.130) 1.283 13.411 ( 0.450 -6.401 2.872) 7.030 13.433 ( 0.213 -6.270 -2.213) 6.653 14.512 ( -0.305 10.718 1.513) 10.829 14.518 ( -0.123 13.911 -0.699) 13.929 14.615 ( -0.054 10.986 0.666) 11.007 14.633 ( -0.809 12.015 -1.386) 12.121 15.012 ( 3.078 0.737 3.802) 4.947 15.078 ( -0.870 0.576 -2.770) 2.960 15.216 ( 3.850 -5.448 0.569) 6.695 15.276 ( -1.282 -4.229 -1.262) 4.595 18.272 ( 1.417 -1.988 0.780) 2.563 18.320 ( -2.746 -1.170 -1.473) 3.328 18.361 ( 1.363 1.374 0.037) 1.935 18.378 ( -0.444 1.763 0.762) 1.971 18.465 ( 0.450 -10.282 0.351) 10.298 18.504 ( -1.787 -11.218 -1.834) 11.507 18.549 ( -1.582 -9.176 0.923) 9.357 18.559 ( -1.521 -9.176 0.453) 9.312 20.677 ( -0.086 2.019 0.461) 2.073 20.680 ( 0.097 2.207 -0.567) 2.281 20.899 ( 0.080 -1.050 0.474) 1.155 20.903 ( 0.041 -0.947 -0.426) 1.039 21.154 ( 0.362 0.152 0.806) 0.897 21.168 ( -0.247 -0.031 -1.077) 1.105 21.220 ( 0.179 -0.018 1.310) 1.322 21.238 ( -0.573 -0.255 -1.321) 1.462 22.201 ( -1.289 -0.184 2.065) 2.442 22.208 ( 0.407 -0.400 -3.264) 3.313 22.421 ( 1.483 -1.122 0.497) 1.925 22.450 ( -1.661 -1.536 0.490) 2.314 24.040 ( 0.376 -0.186 0.508) 0.659 24.054 ( -0.639 -0.338 -0.743) 1.037 24.158 ( 0.876 0.527 0.546) 1.158 24.172 ( -0.298 0.362 -0.137) 0.488 27.069 ( 0.878 -1.664 0.096) 1.884 27.087 ( -0.643 -1.291 -0.402) 1.497 27.239 ( 1.169 -3.672 3.364) 5.116 27.279 ( -0.358 -2.752 -2.814) 3.952 27.431 ( 0.095 5.854 -0.002) 5.855 27.439 ( -0.500 5.460 -0.496) 5.506 27.556 ( 1.508 7.874 1.913) 8.242 27.598 ( -1.371 8.039 -1.541) 8.300 33.479 ( -0.987 1.434 1.385) 2.225 33.509 ( -2.771 2.578 -1.603) 4.110 33.865 ( 0.874 -0.173 1.024) 1.358 33.888 ( -0.689 -0.086 -0.640) 0.944 33.919 ( 0.871 1.460 1.076) 2.011 33.952 ( -1.310 1.724 -1.498) 2.633 34.165 ( 0.774 -10.206 8.548) 13.336 34.252 ( -0.906 -9.814 -7.832) 12.589 34.624 ( 0.412 2.812 1.226) 3.095 34.651 ( -0.689 3.575 -2.655) 4.506 35.028 ( 3.733 5.542 5.562) 8.694 35.122 ( -1.469 7.540 -4.992) 9.162 35.992 ( 5.906 -3.815 4.848) 8.540 36.110 ( -2.980 -6.707 -3.372) 8.077 36.206 ( 6.470 -1.634 1.430) 6.825 36.301 ( -2.292 -2.822 -1.834) 4.072 36.829 ( 0.628 4.995 2.631) 5.681 36.889 ( -2.208 5.336 -5.199) 7.770 37.043 ( 1.342 12.412 0.812) 12.511 37.053 ( 1.411 13.205 -1.117) 13.327 37.485 ( 1.100 0.944 -0.899) 1.706 37.541 ( -6.140 4.042 1.296) 7.464 38.511 ( -1.793 -9.960 32.637) 34.170 38.696 ( 6.145 -13.673 -26.430) 30.385 ======================= Grid point 146 (67/76) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -4.946 10.349 -9.802) 15.088 1.314 ( 4.946 10.349 9.802) 15.088 1.807 ( -5.947 13.031 -6.502) 15.730 1.807 ( 5.947 13.031 6.502) 15.730 2.088 ( -6.159 -4.062 -3.788) 8.294 2.088 ( 6.159 -4.062 3.788) 8.294 2.548 ( -16.247 13.433 -12.300) 24.407 2.548 ( 16.247 13.433 12.300) 24.407 2.827 ( -1.219 -5.355 -5.071) 7.475 2.827 ( 1.219 -5.355 5.071) 7.475 2.953 ( -2.900 -7.831 -4.856) 9.660 2.953 ( 2.900 -7.831 4.856) 9.660 3.212 ( 4.905 -6.055 -2.651) 8.231 3.212 ( -4.905 -6.055 2.651) 8.231 3.355 ( 1.281 -3.862 -5.851) 7.127 3.355 ( -1.281 -3.862 5.851) 7.127 3.520 ( -0.060 8.304 -5.801) 10.130 3.520 ( 0.060 8.304 5.801) 10.130 3.738 ( -5.494 -0.070 -6.138) 8.238 3.738 ( 5.494 -0.070 6.138) 8.238 3.870 ( -5.259 3.323 -5.391) 8.232 3.870 ( 5.259 3.323 5.391) 8.232 4.028 ( -7.713 -0.233 -5.232) 9.323 4.028 ( 7.713 -0.233 5.232) 9.323 4.270 ( 3.365 4.777 -2.291) 6.276 4.270 ( -3.365 4.777 2.291) 6.276 4.374 ( 3.564 14.547 -2.773) 15.232 4.374 ( -3.564 14.547 2.773) 15.232 4.622 ( -0.120 -0.570 -8.987) 9.006 4.622 ( 0.120 -0.570 8.987) 9.006 4.717 ( -1.132 2.855 -6.848) 7.506 4.717 ( 1.132 2.855 6.848) 7.506 5.076 ( -0.929 -4.631 -0.695) 4.775 5.076 ( 0.929 -4.631 0.695) 4.775 5.343 ( 3.181 -4.799 -4.113) 7.076 5.343 ( -3.181 -4.799 4.113) 7.076 5.832 ( 1.608 1.803 -4.289) 4.923 5.832 ( -1.608 1.803 4.289) 4.923 5.943 ( 0.229 3.279 -3.874) 5.080 5.943 ( -0.229 3.279 3.874) 5.080 6.196 ( 0.666 1.778 -7.769) 7.998 6.196 ( -0.666 1.778 7.769) 7.998 6.420 ( 6.596 -2.924 -10.201) 12.494 6.420 ( -6.596 -2.924 10.201) 12.494 6.632 ( -0.590 1.998 -2.492) 3.248 6.632 ( 0.590 1.998 2.492) 3.248 6.691 ( -2.520 0.334 -3.599) 4.406 6.691 ( 2.520 0.334 3.599) 4.406 6.826 ( 0.884 5.708 -1.373) 5.937 6.826 ( -0.884 5.708 1.373) 5.937 6.945 ( 0.818 6.115 -4.465) 7.615 6.945 ( -0.818 6.115 4.465) 7.615 7.205 ( -3.246 -7.326 -1.247) 8.109 7.205 ( 3.246 -7.326 1.247) 8.109 7.477 ( 0.961 3.213 -2.848) 4.399 7.477 ( -0.961 3.213 2.848) 4.399 7.601 ( -1.278 6.518 -2.509) 7.100 7.601 ( 1.278 6.518 2.509) 7.100 7.782 ( -0.155 4.127 -1.515) 4.399 7.782 ( 0.155 4.127 1.515) 4.399 7.998 ( 0.137 1.891 -3.467) 3.952 7.998 ( -0.137 1.891 3.467) 3.952 8.055 ( 1.695 -0.224 -3.693) 4.069 8.055 ( -1.695 -0.224 3.693) 4.069 8.190 ( -3.032 1.972 -1.530) 3.927 8.190 ( 3.032 1.972 1.530) 3.927 8.516 ( -0.837 -19.582 -3.124) 19.848 8.516 ( 0.837 -19.582 3.124) 19.848 9.341 ( -3.757 -1.459 -2.568) 4.779 9.341 ( 3.757 -1.459 2.568) 4.779 9.663 ( -5.626 -13.497 -4.861) 15.410 9.663 ( 5.626 -13.497 4.861) 15.410 12.548 ( -0.901 0.831 -1.997) 2.343 12.548 ( 0.901 0.831 1.997) 2.343 12.740 ( -0.571 -4.521 -0.983) 4.662 12.740 ( 0.571 -4.521 0.983) 4.662 13.095 ( -0.368 -0.474 -0.670) 0.900 13.095 ( 0.368 -0.474 0.670) 0.900 13.279 ( -1.274 -5.062 -1.327) 5.386 13.279 ( 1.274 -5.062 1.327) 5.386 14.827 ( -0.439 7.504 -2.087) 7.801 14.827 ( 0.439 7.504 2.087) 7.801 14.925 ( -0.057 7.055 -0.960) 7.120 14.925 ( 0.057 7.055 0.960) 7.120 14.986 ( -0.733 8.226 -1.028) 8.322 14.986 ( 0.733 8.226 1.028) 8.322 15.077 ( -0.628 3.661 -0.471) 3.744 15.077 ( 0.628 3.661 0.471) 3.744 18.127 ( -0.777 -10.818 -1.350) 10.930 18.127 ( 0.777 -10.818 1.350) 10.930 18.233 ( -0.175 -12.760 -0.620) 12.776 18.233 ( 0.175 -12.760 0.620) 12.776 18.510 ( -0.659 3.188 -0.782) 3.348 18.510 ( 0.659 3.188 0.782) 3.348 18.648 ( -0.557 -3.330 -1.078) 3.545 18.648 ( 0.557 -3.330 1.078) 3.545 20.743 ( 0.116 2.880 -0.482) 2.923 20.743 ( -0.116 2.880 0.482) 2.923 20.858 ( 0.458 -1.884 -0.537) 2.012 20.858 ( -0.458 -1.884 0.537) 2.012 21.166 ( -0.024 0.107 -0.472) 0.484 21.166 ( 0.024 0.107 0.472) 0.484 21.235 ( -0.568 -0.306 0.006) 0.645 21.235 ( 0.568 -0.306 -0.006) 0.645 22.277 ( 2.074 -2.950 -2.169) 4.208 22.277 ( -2.074 -2.950 2.169) 4.208 22.408 ( -0.383 -0.786 -0.132) 0.884 22.408 ( 0.383 -0.786 0.132) 0.884 24.064 ( -0.571 -0.206 -0.073) 0.612 24.064 ( 0.571 -0.206 0.073) 0.612 24.129 ( -0.350 0.488 -0.117) 0.612 24.129 ( 0.350 0.488 0.117) 0.612 26.994 ( -2.697 -3.172 -1.309) 4.364 26.994 ( 2.697 -3.172 1.309) 4.364 27.095 ( -0.741 -1.832 -0.311) 2.001 27.095 ( 0.741 -1.832 0.311) 2.001 27.612 ( -1.209 5.595 -0.633) 5.759 27.612 ( 1.209 5.595 0.633) 5.759 27.690 ( -0.535 5.086 -2.709) 5.787 27.690 ( 0.535 5.086 2.709) 5.787 33.822 ( -2.479 1.605 -2.174) 3.667 33.822 ( 2.479 1.605 2.174) 3.667 33.884 ( -2.659 -0.804 -1.722) 3.268 33.884 ( 2.659 -0.804 1.722) 3.268 33.976 ( -0.699 1.738 -1.887) 2.659 33.976 ( 0.699 1.738 1.887) 2.659 34.160 ( -3.135 -3.682 -3.022) 5.703 34.160 ( 3.135 -3.682 3.022) 5.703 34.781 ( -2.176 5.544 -1.576) 6.161 34.781 ( 2.176 5.544 1.576) 6.161 35.034 ( -3.815 4.019 -2.421) 6.047 35.034 ( 3.815 4.019 2.421) 6.047 35.575 ( -0.703 -1.910 -1.048) 2.289 35.575 ( 0.703 -1.910 1.048) 2.289 36.018 ( -0.592 -0.462 0.101) 0.757 36.018 ( 0.592 -0.462 -0.101) 0.757 36.982 ( 5.000 -0.219 -4.316) 6.608 36.982 ( -5.000 -0.219 4.316) 6.608 37.089 ( -5.333 0.126 -1.781) 5.624 37.089 ( 5.333 0.126 1.781) 5.624 37.730 ( -1.131 4.018 -3.013) 5.148 37.730 ( 1.131 4.018 3.013) 5.148 38.442 ( 12.057 7.584 -12.577) 19.002 38.442 ( -12.057 7.584 12.577) 19.002 ======================= Grid point 148 (68/76) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 1.015 13.800 -9.575) 16.827 1.506 ( 8.374 4.711 2.530) 9.936 1.714 ( 2.412 10.123 -2.237) 10.644 1.782 ( -5.069 19.492 -16.070) 25.766 1.969 ( -3.877 -17.724 2.323) 18.291 2.329 ( 12.537 -0.312 8.360) 15.072 2.445 ( 13.926 16.967 -3.366) 22.206 2.687 ( -6.061 -8.958 -2.498) 11.100 2.811 ( -0.872 -7.171 1.881) 7.465 2.919 ( 4.454 -0.646 0.973) 4.605 2.981 ( 9.984 -4.469 2.041) 11.128 3.116 ( 6.606 2.081 4.733) 8.389 3.206 ( 0.636 -2.670 -0.309) 2.762 3.293 ( 5.058 -6.514 -0.209) 8.250 3.358 ( -0.940 -0.770 7.318) 7.418 3.396 ( 0.019 -1.819 2.195) 2.851 3.466 ( 4.673 5.680 -3.492) 8.143 3.559 ( -0.776 4.790 1.405) 5.052 3.573 ( -3.996 5.316 -4.774) 8.186 3.717 ( -5.320 -3.636 -8.381) 10.572 3.809 ( -4.265 2.292 5.017) 6.973 3.943 ( 1.722 10.081 1.727) 10.372 4.034 ( 5.946 -0.694 5.846) 8.368 4.158 ( 0.282 7.918 -1.934) 8.155 4.226 ( -2.112 6.258 5.499) 8.594 4.270 ( -0.834 8.852 -4.067) 9.778 4.347 ( -0.756 8.761 3.762) 9.565 4.415 ( 3.539 11.492 -3.569) 12.543 4.561 ( 1.867 -0.354 -8.450) 8.661 4.614 ( -0.931 1.052 -0.008) 1.405 4.758 ( 1.889 1.275 8.805) 9.095 4.809 ( 2.432 -3.132 5.701) 6.944 5.038 ( -1.946 -6.210 -2.354) 6.920 5.079 ( -0.475 -1.942 -1.272) 2.369 5.265 ( -5.282 -4.007 2.695) 7.157 5.405 ( 6.274 -6.993 -5.442) 10.857 5.813 ( -0.441 1.122 -0.952) 1.537 5.861 ( 0.508 -1.022 -0.355) 1.195 5.897 ( -0.823 7.199 -3.043) 7.859 5.950 ( -0.950 2.193 0.317) 2.411 6.111 ( -2.889 5.211 -0.638) 5.992 6.261 ( 0.608 -1.137 2.576) 2.880 6.403 ( -4.261 -2.449 7.081) 8.620 6.418 ( 2.618 -5.778 -13.787) 15.176 6.573 ( -2.525 2.835 -3.072) 4.884 6.626 ( -1.436 2.569 0.244) 2.953 6.678 ( 2.201 2.379 -0.146) 3.244 6.760 ( -1.823 2.388 0.085) 3.005 6.774 ( 0.389 2.441 3.952) 4.661 6.848 ( 0.583 3.374 1.088) 3.593 6.926 ( 2.225 7.414 -5.627) 9.570 6.959 ( -1.873 3.980 3.732) 5.769 7.146 ( -1.791 -5.225 -1.074) 5.627 7.212 ( -4.177 -8.371 -0.890) 9.398 7.428 ( -3.820 3.823 3.440) 6.406 7.456 ( -2.114 5.282 -2.644) 6.273 7.560 ( -0.771 11.188 -0.022) 11.214 7.631 ( -0.236 6.133 -0.122) 6.139 7.750 ( -0.592 3.762 -1.549) 4.112 7.789 ( -0.198 2.422 2.200) 3.278 7.979 ( 0.410 -2.184 -4.435) 4.960 7.999 ( -2.041 2.392 -0.298) 3.158 8.046 ( -2.994 -2.593 3.467) 5.264 8.106 ( 4.000 3.408 1.998) 5.622 8.140 ( -1.078 2.255 -0.756) 2.611 8.246 ( 2.473 1.528 0.852) 3.029 8.485 ( -2.731 -16.490 -0.458) 16.721 8.596 ( 4.042 -22.576 4.952) 23.463 9.267 ( -3.508 -2.868 1.077) 4.658 9.399 ( -1.513 -1.948 2.439) 3.469 9.505 ( -6.813 -9.783 -3.352) 12.384 9.732 ( -1.277 -14.518 1.448) 14.646 12.529 ( 0.303 1.210 -0.911) 1.544 12.605 ( 3.009 1.372 1.964) 3.846 12.727 ( -0.058 -5.613 -0.281) 5.620 12.767 ( 1.487 -4.343 0.617) 4.631 13.066 ( -0.851 -1.646 -1.570) 2.429 13.076 ( -1.197 -0.440 -1.825) 2.227 13.261 ( -0.564 -3.270 -0.134) 3.321 13.319 ( 1.224 -5.688 1.046) 5.911 14.781 ( -4.030 9.126 -2.059) 10.186 14.867 ( 0.878 8.460 2.104) 8.762 14.904 ( 0.903 12.555 -1.345) 12.659 14.936 ( 1.690 -0.520 0.626) 1.875 14.992 ( 0.580 5.779 -0.248) 5.814 15.014 ( 0.828 11.005 0.146) 11.037 15.070 ( 1.181 0.869 -0.709) 1.629 15.076 ( 0.609 5.270 -0.237) 5.311 18.105 ( -0.528 -11.159 -0.541) 11.184 18.149 ( 0.045 -12.095 1.359) 12.172 18.214 ( -1.268 -12.093 -0.781) 12.185 18.225 ( -1.081 -13.319 -0.395) 13.368 18.488 ( -1.248 5.001 -0.415) 5.171 18.516 ( -0.788 1.272 0.419) 1.554 18.613 ( -2.384 -3.240 -0.781) 4.098 18.648 ( -1.586 -2.306 0.810) 2.913 20.734 ( -0.560 2.927 0.203) 2.987 20.751 ( 0.411 2.841 -0.290) 2.886 20.854 ( -0.388 -1.923 0.506) 2.026 20.866 ( 0.661 -1.938 -0.428) 2.092 21.160 ( -0.153 0.252 -0.469) 0.554 21.171 ( 0.124 -0.172 0.207) 0.297 21.225 ( -0.646 0.170 0.404) 0.781 21.245 ( 0.484 -0.700 0.007) 0.851 22.253 ( -2.464 -1.522 1.605) 3.311 22.279 ( 0.726 -3.662 -2.894) 4.723 22.397 ( -0.656 -0.363 0.026) 0.750 22.418 ( 0.369 -1.361 0.160) 1.419 24.052 ( -0.650 0.237 -0.226) 0.728 24.070 ( 0.130 -0.658 -0.121) 0.682 24.129 ( 0.370 0.745 0.090) 0.837 24.142 ( 0.914 0.230 0.283) 0.984 26.967 ( 0.804 -0.635 -0.213) 1.046 27.046 ( 1.458 -4.106 -0.179) 4.361 27.075 ( -0.642 -1.029 -0.395) 1.275 27.124 ( 2.637 -3.468 0.409) 4.376 27.581 ( -1.188 5.209 -0.769) 5.398 27.608 ( -0.858 4.386 -1.817) 4.824 27.690 ( 1.557 6.732 0.409) 6.922 27.736 ( 1.227 5.686 3.086) 6.585 33.742 ( -4.995 2.048 -1.066) 5.503 33.799 ( -4.044 0.641 -0.987) 4.212 33.880 ( 1.140 0.078 1.411) 1.815 33.918 ( -0.051 -0.132 0.048) 0.149 33.936 ( -2.019 1.451 -1.249) 2.782 33.990 ( -1.126 -0.055 1.952) 2.254 34.080 ( -3.673 0.109 -1.452) 3.951 34.225 ( 0.816 -7.192 2.302) 7.595 34.721 ( -2.891 4.649 -0.791) 5.532 34.809 ( -0.811 3.048 2.013) 3.742 34.970 ( -0.476 7.386 -1.725) 7.600 35.126 ( 4.796 4.814 1.437) 6.945 35.605 ( 4.746 -3.083 -0.745) 5.708 35.636 ( 5.517 -2.735 -0.216) 6.162 36.047 ( 3.424 -0.320 0.079) 3.440 36.072 ( 5.326 -1.676 0.203) 5.587 36.930 ( -3.372 -0.096 1.943) 3.893 36.968 ( -0.707 -1.801 -4.158) 4.586 37.086 ( 5.765 4.296 -1.136) 7.279 37.196 ( 4.766 2.668 0.498) 5.485 37.655 ( -4.813 8.386 4.087) 10.497 37.829 ( 2.465 2.685 4.977) 6.169 38.296 ( -16.231 12.850 11.265) 23.568 38.474 ( 6.297 -4.147 -15.312) 17.068 ======================= Grid point 149 (69/76) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 10.575 11.165 -10.200) 18.453 1.557 ( 2.060 12.162 -2.291) 12.546 1.699 ( 8.261 1.621 -8.839) 12.206 1.833 ( 9.460 4.270 0.836) 10.412 1.989 ( 2.182 -16.962 4.184) 17.606 2.468 ( 2.525 -7.817 -3.559) 8.953 2.673 ( 1.901 -5.067 9.370) 10.820 2.763 ( 16.452 10.446 -3.340) 19.772 2.829 ( 1.629 -8.208 3.562) 9.095 2.994 ( 4.326 0.234 3.010) 5.275 3.058 ( 2.685 -0.980 -3.828) 4.777 3.135 ( -1.103 3.373 -7.420) 8.225 3.277 ( 6.463 5.576 5.861) 10.354 3.346 ( -1.636 -3.331 -3.792) 5.306 3.383 ( 4.033 0.965 3.148) 5.206 3.407 ( -1.075 0.147 5.139) 5.253 3.456 ( -4.164 6.959 -4.181) 9.124 3.496 ( -2.051 0.337 -2.043) 2.915 3.599 ( 0.279 -3.167 -0.483) 3.216 3.710 ( 2.120 1.398 4.015) 4.750 3.809 ( 3.429 7.783 3.429) 9.170 3.993 ( -1.256 10.451 -1.060) 10.580 4.030 ( -4.161 9.740 1.355) 10.678 4.148 ( -0.795 2.710 3.154) 4.234 4.203 ( -0.855 11.997 -3.420) 12.504 4.253 ( -2.208 10.573 3.069) 11.229 4.379 ( 2.599 9.831 -5.132) 11.390 4.440 ( 1.889 4.694 -0.344) 5.072 4.537 ( 2.018 -2.282 -0.898) 3.176 4.682 ( 4.557 0.469 5.277) 6.988 4.828 ( -0.940 -2.716 4.816) 5.608 4.903 ( 1.893 2.142 2.089) 3.540 4.966 ( -1.205 -7.480 -4.994) 9.074 5.071 ( 2.074 -0.338 -0.469) 2.153 5.255 ( 0.675 -6.619 5.506) 8.636 5.456 ( 5.810 -8.601 -8.090) 13.160 5.783 ( -2.403 0.925 -0.647) 2.655 5.827 ( -1.105 0.792 -2.234) 2.615 5.867 ( -0.804 5.164 -2.879) 5.967 5.940 ( -1.196 0.925 1.425) 2.078 6.111 ( 3.713 2.042 -2.160) 4.756 6.250 ( -3.266 0.788 -2.202) 4.017 6.296 ( -1.362 -3.695 -5.076) 6.424 6.400 ( -3.066 -2.596 4.592) 6.101 6.521 ( -1.308 3.452 -0.881) 3.795 6.615 ( -0.128 3.150 -0.391) 3.177 6.669 ( -1.274 2.205 -1.944) 3.204 6.768 ( 0.670 2.123 1.034) 2.454 6.805 ( -0.429 -0.155 -2.010) 2.061 6.855 ( -0.574 4.349 -0.792) 4.458 6.910 ( 0.340 -1.337 1.003) 1.705 6.996 ( 2.380 5.274 4.502) 7.332 7.070 ( -4.084 -1.678 -1.008) 4.529 7.167 ( 0.148 -4.999 2.000) 5.386 7.409 ( -3.256 6.937 3.813) 8.560 7.447 ( 1.353 8.587 -0.398) 8.702 7.516 ( -2.530 8.030 0.866) 8.464 7.631 ( -0.527 6.607 0.520) 6.649 7.734 ( -0.924 3.060 0.044) 3.197 7.796 ( -1.545 0.911 0.545) 1.874 7.915 ( -3.778 -3.086 -3.359) 5.922 7.939 ( -3.753 4.338 0.014) 5.736 8.042 ( -0.878 0.640 1.419) 1.787 8.125 ( -0.091 2.240 0.001) 2.241 8.175 ( 2.875 1.625 0.550) 3.348 8.295 ( 1.673 -1.181 0.487) 2.105 8.400 ( -5.659 -10.672 -0.209) 12.081 8.682 ( 0.712 -26.129 0.973) 26.156 9.241 ( -2.343 -4.628 2.732) 5.863 9.298 ( -7.631 -3.706 -3.017) 9.004 9.399 ( -5.859 -6.237 0.503) 8.572 9.670 ( -4.704 -14.154 -1.711) 15.013 12.541 ( 1.691 0.781 -0.334) 1.892 12.652 ( 0.839 -0.572 0.458) 1.114 12.736 ( 0.945 -3.435 -0.246) 3.571 12.793 ( 0.986 -3.337 0.076) 3.481 13.062 ( 1.332 -1.658 0.412) 2.167 13.067 ( 1.246 -1.213 0.564) 1.828 13.246 ( -0.832 -2.874 -0.243) 3.001 13.324 ( -0.708 -6.293 -0.756) 6.378 14.691 ( -3.273 8.190 -1.126) 8.891 14.860 ( -1.562 8.446 0.478) 8.602 14.936 ( 0.137 11.892 -0.683) 11.912 14.966 ( 1.696 10.571 -1.091) 10.762 14.986 ( 1.502 2.575 -0.418) 3.010 15.034 ( 0.769 6.259 0.206) 6.310 15.107 ( 3.385 2.451 0.893) 4.274 15.120 ( 3.326 1.323 0.569) 3.624 18.098 ( -0.213 -12.340 -0.084) 12.342 18.148 ( -1.294 -13.323 0.544) 13.397 18.174 ( -2.102 -12.831 -0.226) 13.004 18.206 ( -0.887 -13.344 -0.397) 13.379 18.464 ( -1.202 5.254 -0.105) 5.391 18.492 ( -1.978 0.930 -0.139) 2.190 18.561 ( -3.058 -2.027 -0.297) 3.681 18.613 ( -3.139 -1.025 0.478) 3.336 20.729 ( -0.340 2.935 0.413) 2.983 20.752 ( 0.163 2.973 -0.661) 3.050 20.854 ( -0.218 -2.032 0.703) 2.161 20.872 ( 0.572 -1.992 -0.688) 2.184 21.154 ( -0.148 0.384 -0.301) 0.510 21.173 ( -0.060 -0.440 0.085) 0.452 21.220 ( -0.411 0.450 0.458) 0.762 21.249 ( 0.146 -0.824 -0.286) 0.884 22.226 ( -1.999 -0.594 1.181) 2.397 22.253 ( -0.271 -2.617 -3.444) 4.334 22.387 ( -0.598 -0.106 0.304) 0.680 22.424 ( -0.145 -1.728 0.683) 1.864 24.040 ( -0.417 0.369 -0.187) 0.588 24.067 ( -0.223 -0.812 -0.309) 0.897 24.140 ( 0.678 0.935 0.274) 1.187 24.161 ( 0.894 0.110 0.326) 0.958 27.011 ( 3.112 -1.276 1.128) 3.548 27.040 ( -0.122 -2.004 -1.235) 2.358 27.076 ( 0.509 -0.624 0.054) 0.807 27.180 ( 2.843 -4.843 0.124) 5.618 27.564 ( -0.462 4.722 0.017) 4.744 27.580 ( -0.651 4.377 -1.021) 4.541 27.717 ( 0.939 8.105 0.045) 8.159 27.777 ( 0.823 6.028 1.775) 6.338 33.643 ( -5.963 2.721 0.400) 6.567 33.734 ( -3.121 1.865 0.409) 3.659 33.863 ( -4.049 -1.470 -0.942) 4.409 33.894 ( -1.086 -0.025 -0.058) 1.088 33.915 ( -0.075 0.383 0.103) 0.404 33.981 ( -0.903 -1.940 0.846) 2.301 34.024 ( -2.139 2.023 -0.312) 2.960 34.210 ( -2.829 -8.278 -1.295) 8.843 34.685 ( -1.272 3.799 0.656) 4.060 34.800 ( -1.712 -0.349 0.905) 1.968 34.987 ( 3.166 11.790 0.008) 12.208 35.228 ( 5.690 4.415 0.517) 7.220 35.692 ( 5.427 -2.558 0.144) 6.002 35.754 ( 8.224 -5.196 0.035) 9.728 36.110 ( 3.592 -0.681 -0.705) 3.723 36.170 ( 5.389 -3.354 -0.202) 6.351 36.909 ( -0.509 1.740 0.742) 1.959 36.977 ( 4.248 -0.999 -0.616) 4.407 37.177 ( 5.279 7.389 -0.841) 9.120 37.245 ( 0.913 5.811 -0.521) 5.905 37.637 ( -0.719 8.529 -0.048) 8.559 37.883 ( -4.458 7.906 11.419) 14.587 38.134 ( -14.488 8.777 13.964) 21.952 38.418 ( 5.112 -17.009 -17.124) 24.671 ======================= Grid point 150 (70/76) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 14.550 6.001 -9.030) 18.146 1.667 ( 4.954 -3.764 5.425) 8.255 1.790 ( 10.037 4.774 -2.955) 11.500 1.979 ( 7.833 -1.100 -1.250) 8.008 2.075 ( 2.607 -14.826 3.631) 15.485 2.445 ( -0.521 -8.951 -4.149) 9.880 2.724 ( -2.416 -1.810 0.536) 3.066 2.868 ( 4.670 -3.719 -3.702) 7.024 2.938 ( 3.291 1.639 5.665) 6.753 3.016 ( -2.932 0.271 -2.337) 3.759 3.073 ( 2.337 -3.414 -10.766) 11.534 3.145 ( 4.651 7.256 7.305) 11.298 3.344 ( 1.875 2.953 -3.318) 4.821 3.376 ( -4.842 -4.862 6.338) 9.341 3.393 ( 3.498 2.303 5.179) 6.661 3.429 ( 2.564 7.470 2.922) 8.421 3.470 ( 0.848 1.842 -1.247) 2.380 3.508 ( 0.537 0.720 -1.069) 1.396 3.583 ( 2.520 10.918 0.977) 11.247 3.732 ( 1.839 2.006 -1.337) 3.033 3.813 ( -3.894 11.841 -1.725) 12.584 3.984 ( 1.315 -2.647 3.769) 4.790 4.043 ( -0.958 8.839 4.102) 9.792 4.095 ( -4.050 3.874 -1.280) 5.749 4.196 ( 0.934 13.155 -3.421) 13.624 4.236 ( 0.546 10.764 3.711) 11.399 4.402 ( 2.699 8.185 -2.725) 9.039 4.414 ( 1.684 7.049 -5.129) 8.878 4.602 ( 0.493 1.176 3.560) 3.781 4.769 ( -2.919 -0.726 1.434) 3.332 4.811 ( -0.667 -0.465 4.843) 4.911 4.888 ( 1.827 4.801 -2.949) 5.923 4.932 ( -2.625 -5.397 -4.184) 7.316 5.174 ( 9.356 0.664 0.954) 9.428 5.354 ( 4.560 -7.754 0.803) 9.031 5.420 ( -2.614 -6.810 -6.287) 9.630 5.764 ( -2.162 1.739 1.634) 3.220 5.774 ( 0.647 3.175 -1.837) 3.725 5.850 ( -0.949 1.200 0.720) 1.691 5.942 ( 0.688 -2.613 2.523) 3.697 6.129 ( 1.571 -1.427 -4.342) 4.832 6.220 ( 4.673 -4.070 -6.051) 8.661 6.297 ( 0.471 2.622 2.694) 3.789 6.343 ( -7.456 -1.727 2.471) 8.042 6.522 ( 1.607 3.093 0.186) 3.491 6.609 ( -0.624 1.319 -0.636) 1.591 6.643 ( 0.911 0.090 -0.663) 1.130 6.744 ( -1.391 2.210 -0.677) 2.698 6.787 ( 1.272 0.871 -0.639) 1.669 6.848 ( 1.421 2.388 -2.531) 3.759 6.962 ( 2.690 -0.894 2.722) 3.930 7.021 ( -0.752 1.047 2.198) 2.548 7.110 ( 1.799 2.904 5.227) 6.244 7.196 ( 0.092 -3.634 2.159) 4.228 7.358 ( -3.715 11.042 1.256) 11.718 7.472 ( 1.316 8.010 1.566) 8.267 7.532 ( 0.147 5.785 4.659) 7.429 7.607 ( -3.431 4.563 0.565) 5.736 7.705 ( -1.694 0.824 -0.652) 1.993 7.763 ( -1.307 3.230 0.922) 3.604 7.800 ( -6.216 -3.519 -2.863) 7.696 7.907 ( -0.802 6.981 0.885) 7.082 8.008 ( -2.654 3.853 -0.893) 4.763 8.117 ( -0.583 6.581 -2.309) 6.998 8.244 ( 2.955 -6.290 1.841) 7.189 8.266 ( -1.862 -1.422 -2.743) 3.607 8.357 ( -1.292 -6.182 2.332) 6.732 8.559 ( -11.453 -22.304 -8.769) 26.562 9.153 ( -3.102 -1.771 -2.265) 4.230 9.231 ( -2.453 -5.290 0.565) 5.859 9.339 ( -2.725 -10.991 4.199) 12.077 9.565 ( -4.584 -14.961 -3.529) 16.041 12.576 ( 2.288 -0.272 -0.002) 2.304 12.660 ( -0.232 -3.160 0.659) 3.236 12.738 ( 0.795 -0.451 -1.403) 1.674 12.804 ( 0.326 -2.400 0.325) 2.444 13.097 ( 0.761 -0.936 0.698) 1.394 13.105 ( 1.197 -0.382 1.228) 1.757 13.245 ( 0.621 -4.366 1.079) 4.540 13.297 ( -0.691 -6.723 -1.242) 6.872 14.675 ( 0.444 7.540 2.634) 8.000 14.843 ( -1.283 8.230 0.227) 8.333 14.906 ( -0.280 11.669 -1.799) 11.810 14.963 ( -0.428 9.273 -1.756) 9.447 15.024 ( 2.018 9.204 0.857) 9.461 15.067 ( 2.009 1.901 0.211) 2.774 15.135 ( 1.093 4.102 -0.412) 4.265 15.195 ( 2.932 -1.521 0.099) 3.305 18.085 ( -0.966 -12.669 -0.451) 12.714 18.122 ( -1.178 -14.273 -0.104) 14.322 18.156 ( -1.305 -13.583 1.071) 13.688 18.186 ( -0.742 -14.345 -0.364) 14.369 18.447 ( -0.637 3.932 -0.088) 3.984 18.462 ( -1.041 2.220 0.123) 2.455 18.508 ( -2.906 -0.575 -0.023) 2.962 18.554 ( -3.700 0.147 -0.067) 3.703 20.730 ( -0.175 2.977 0.635) 3.049 20.747 ( 0.093 3.124 -0.907) 3.254 20.858 ( -0.135 -2.121 0.903) 2.309 20.873 ( 0.443 -2.043 -0.936) 2.290 21.152 ( 0.080 0.425 0.179) 0.468 21.171 ( -0.109 -0.390 -0.017) 0.405 21.218 ( -0.261 0.424 0.333) 0.599 21.244 ( -0.205 -0.695 -0.736) 1.033 22.207 ( -1.311 -0.209 0.802) 1.551 22.220 ( -0.274 -1.000 -2.574) 2.775 22.385 ( -0.034 -0.338 0.642) 0.726 22.423 ( -0.679 -1.973 0.671) 2.192 24.035 ( -0.101 0.250 -0.017) 0.270 24.058 ( -0.423 -0.699 -0.478) 0.947 24.155 ( 0.744 0.900 0.445) 1.250 24.175 ( 0.477 0.093 0.217) 0.532 27.031 ( 0.780 -0.794 -0.749) 1.341 27.075 ( 1.456 -1.055 0.905) 2.013 27.092 ( 1.668 -1.965 1.230) 2.856 27.209 ( 1.098 -4.636 -1.193) 4.912 27.560 ( -0.161 5.086 0.416) 5.105 27.575 ( 0.207 4.751 0.300) 4.765 27.723 ( 0.183 8.575 -0.218) 8.580 27.787 ( -0.317 5.908 -0.554) 5.942 33.563 ( -4.018 3.685 1.568) 5.673 33.679 ( -4.060 5.195 -1.243) 6.710 33.808 ( -1.237 -5.194 1.854) 5.652 33.881 ( -0.414 -1.498 0.462) 1.621 33.917 ( 0.106 0.139 0.132) 0.219 33.977 ( -0.545 -1.593 0.882) 1.901 33.995 ( -0.877 0.441 -0.645) 1.175 34.127 ( -3.771 -8.757 -3.886) 10.296 34.682 ( -0.355 3.645 1.461) 3.943 34.766 ( -1.575 1.143 -1.753) 2.619 35.070 ( 4.591 10.393 3.056) 11.766 35.291 ( 2.507 3.675 -3.071) 5.405 35.796 ( 5.701 -2.255 1.973) 6.440 35.893 ( 6.686 -6.965 1.044) 9.711 36.148 ( 2.222 0.005 -1.301) 2.575 36.235 ( 2.615 -3.612 -0.956) 4.560 36.926 ( 1.430 5.149 1.644) 5.591 37.068 ( 5.027 2.427 -0.578) 5.612 37.223 ( -1.015 8.589 2.452) 8.990 37.264 ( 4.700 9.170 -1.145) 10.368 37.571 ( -3.623 5.849 -5.908) 9.069 37.828 ( -12.023 9.712 5.530) 16.415 38.129 ( -3.939 -4.410 20.559) 21.393 38.372 ( 6.024 -21.072 -15.334) 26.748 ======================= Grid point 151 (71/76) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 13.563 0.842 -4.449) 14.299 1.665 ( -6.732 -5.082 1.166) 8.516 2.004 ( 9.160 -5.247 1.842) 10.715 2.080 ( 0.658 -8.402 0.778) 8.464 2.144 ( 5.681 -2.791 7.829) 10.068 2.350 ( -4.842 -5.218 -9.276) 11.693 2.706 ( 0.780 -3.863 2.260) 4.543 2.800 ( -4.305 -5.561 -7.718) 10.441 2.969 ( 1.855 3.669 0.182) 4.115 3.004 ( -2.555 2.604 1.407) 3.910 3.124 ( 7.985 -2.426 1.188) 8.429 3.244 ( -1.990 -2.969 3.018) 4.678 3.304 ( -1.987 2.995 -0.903) 3.706 3.347 ( -2.187 5.035 0.536) 5.515 3.419 ( 0.181 6.005 -1.648) 6.230 3.451 ( -0.516 2.172 -0.737) 2.351 3.478 ( 1.755 2.509 4.260) 5.246 3.554 ( -0.837 2.587 -1.202) 2.973 3.656 ( 4.353 9.558 3.265) 10.998 3.726 ( -0.252 3.611 -3.746) 5.209 3.821 ( 3.658 8.281 3.968) 9.884 3.949 ( -5.270 4.768 -3.825) 8.070 4.036 ( -0.802 2.224 2.240) 3.257 4.057 ( -1.278 3.753 -0.246) 3.972 4.244 ( 4.261 9.612 4.321) 11.367 4.312 ( 2.576 6.200 -1.271) 6.833 4.391 ( 1.531 9.249 -2.043) 9.595 4.427 ( -0.875 8.345 -0.098) 8.391 4.633 ( 3.640 7.627 0.685) 8.479 4.716 ( -3.948 6.690 1.004) 7.833 4.785 ( -2.133 -2.355 -0.577) 3.229 4.816 ( -3.966 -3.911 -5.120) 7.566 5.011 ( 7.461 2.182 7.972) 11.134 5.226 ( -7.023 -1.528 -10.080) 12.380 5.338 ( 9.084 -2.440 -4.804) 10.562 5.408 ( -4.077 -4.937 5.902) 8.708 5.740 ( 0.522 3.159 -0.351) 3.221 5.769 ( -2.065 4.116 -0.589) 4.642 5.923 ( 6.423 -1.579 5.483) 8.591 5.999 ( 1.710 -4.399 3.532) 5.895 6.096 ( -1.772 -0.351 -2.821) 3.349 6.169 ( -8.584 -0.220 -4.600) 9.741 6.279 ( 5.470 -3.239 -2.083) 6.689 6.328 ( -1.596 -2.580 1.438) 3.358 6.564 ( 3.567 2.603 -1.297) 4.602 6.597 ( -1.588 1.412 1.994) 2.914 6.683 ( 2.374 1.143 1.170) 2.883 6.724 ( -0.389 1.572 -2.033) 2.599 6.828 ( 2.175 -2.284 1.731) 3.598 6.860 ( 1.334 -2.596 -2.307) 3.720 7.018 ( 1.555 0.004 2.298) 2.775 7.045 ( 1.094 0.194 0.053) 1.112 7.133 ( -1.729 3.251 3.115) 4.823 7.172 ( -3.369 4.263 -0.556) 5.462 7.375 ( 3.178 6.093 3.428) 7.679 7.476 ( -3.859 4.670 -2.881) 6.708 7.559 ( 0.467 0.934 6.194) 6.281 7.601 ( 2.334 8.107 0.497) 8.451 7.664 ( -2.606 0.932 -3.007) 4.087 7.699 ( -3.404 2.529 1.211) 4.410 7.778 ( 1.843 2.182 5.236) 5.964 7.903 ( -0.523 5.147 -5.490) 7.544 7.987 ( 1.156 3.175 2.003) 3.927 8.069 ( -2.409 5.988 -1.417) 6.608 8.171 ( -2.946 0.437 -4.483) 5.382 8.213 ( -10.465 -7.432 -5.165) 13.836 8.344 ( 3.944 -7.768 1.263) 8.803 8.392 ( -1.190 -10.242 -0.529) 10.325 9.139 ( 1.608 -4.185 -0.364) 4.498 9.181 ( -3.054 -4.466 -0.298) 5.418 9.374 ( 1.054 -14.234 5.886) 15.439 9.461 ( -3.219 -15.302 -5.039) 16.429 12.611 ( 2.019 -1.267 -0.087) 2.385 12.645 ( -1.876 -2.499 0.148) 3.128 12.767 ( 2.918 -0.760 0.121) 3.018 12.805 ( -1.030 -1.794 0.305) 2.091 13.096 ( -0.151 -0.702 -0.278) 0.770 13.106 ( -0.956 -0.443 -0.306) 1.097 13.274 ( 0.671 -5.244 1.772) 5.576 13.288 ( 0.299 -6.085 -0.945) 6.165 14.731 ( 1.833 8.755 4.530) 10.026 14.800 ( -1.953 10.365 -3.299) 11.051 14.914 ( 1.354 10.749 0.315) 10.838 14.941 ( -1.009 9.642 -0.789) 9.727 15.060 ( 1.707 6.520 0.568) 6.764 15.084 ( -0.243 2.412 -0.265) 2.439 15.161 ( 2.126 2.435 0.702) 3.308 15.204 ( -0.916 -1.102 -1.479) 2.060 18.076 ( 0.288 -13.651 0.234) 13.656 18.097 ( -1.349 -14.951 -0.720) 15.029 18.153 ( -0.089 -13.313 1.583) 13.407 18.172 ( -0.592 -14.704 -0.987) 14.748 18.443 ( 0.445 1.987 -0.145) 2.041 18.463 ( -1.268 1.806 0.314) 2.229 18.466 ( 0.122 1.795 0.099) 1.802 18.498 ( -2.561 1.534 -0.264) 2.996 20.734 ( -0.104 3.060 0.822) 3.170 20.740 ( 0.090 3.136 -0.934) 3.273 20.864 ( -0.145 -2.142 1.048) 2.389 20.870 ( 0.268 -2.105 -1.067) 2.375 21.159 ( 0.262 0.296 0.573) 0.696 21.168 ( -0.167 -0.039 -0.418) 0.452 21.220 ( 0.052 0.061 0.693) 0.697 21.231 ( -0.347 -0.391 -0.979) 1.110 22.197 ( -0.515 -0.063 0.655) 0.836 22.201 ( -0.006 -0.210 -1.254) 1.271 22.396 ( 0.666 -1.032 0.462) 1.312 22.412 ( -0.971 -1.722 0.123) 1.981 24.037 ( 0.231 -0.022 0.229) 0.326 24.046 ( -0.441 -0.379 -0.444) 0.732 24.171 ( 0.583 0.583 0.370) 0.904 24.179 ( -0.115 0.250 -0.070) 0.284 27.049 ( 1.407 0.044 0.244) 1.429 27.074 ( -0.837 0.482 -0.486) 1.082 27.149 ( 2.012 -4.195 2.650) 5.355 27.196 ( -0.744 -4.385 -2.334) 5.023 27.568 ( 0.273 5.789 0.871) 5.861 27.578 ( -0.104 5.574 -0.287) 5.582 27.732 ( 0.751 7.414 0.915) 7.508 27.762 ( -1.106 6.235 -1.724) 6.562 33.543 ( -0.357 4.664 2.481) 5.295 33.592 ( -3.130 5.321 -2.765) 6.765 33.840 ( 1.484 -3.999 2.441) 4.915 33.874 ( -0.931 -2.242 -0.429) 2.465 33.937 ( 1.671 -1.414 2.045) 2.996 33.976 ( -0.474 -0.415 -0.103) 0.638 33.981 ( -0.703 -2.169 1.508) 2.734 34.027 ( -2.732 -9.139 -5.418) 10.970 34.696 ( 0.293 3.383 1.898) 3.890 34.725 ( -0.975 2.680 -2.308) 3.669 35.177 ( 3.747 7.452 4.432) 9.445 35.263 ( -1.328 4.931 -4.790) 7.002 35.904 ( 4.298 -3.781 2.279) 6.161 35.959 ( 0.190 -6.500 -0.602) 6.531 36.187 ( 3.223 -0.413 0.271) 3.261 36.237 ( -1.142 -2.750 -1.251) 3.230 36.985 ( 2.584 8.927 3.677) 9.995 37.064 ( -1.995 9.704 -4.006) 10.686 37.280 ( 2.995 8.188 4.612) 9.863 37.341 ( 3.026 12.785 -2.894) 13.453 37.487 ( 1.671 -1.353 -1.040) 2.388 37.634 ( -11.916 3.928 -0.404) 12.553 38.256 ( -2.602 -12.445 17.718) 21.808 38.335 ( 4.678 -17.630 -14.879) 23.539 ======================= Grid point 156 (72/76) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 -0.000 -0.000) 0.000 1.688 ( -0.000 0.000 0.000) 0.000 2.367 ( 0.000 -0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.574 ( -0.000 -0.000 0.000) 0.000 2.574 ( -0.000 0.000 0.000) 0.000 2.756 ( 0.000 -0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.776 ( -0.000 -0.000 -0.000) 0.000 2.776 ( -0.000 0.000 -0.000) 0.000 3.189 ( 0.000 0.000 -0.000) 0.000 3.189 ( -0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 -0.000) 0.000 3.301 ( -0.000 0.000 0.000) 0.000 3.614 ( 0.000 -0.000 -0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.746 ( -0.000 0.000 -0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.030 ( -0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.405 ( -0.000 -0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.446 ( -0.000 -0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 -0.000) 0.000 4.662 ( -0.000 0.000 0.000) 0.000 4.722 ( -0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 5.038 ( -0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.280 ( -0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.848 ( -0.000 0.000 -0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.984 ( -0.000 0.000 -0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.284 ( -0.000 -0.000 0.000) 0.000 6.284 ( -0.000 0.000 0.000) 0.000 6.342 ( 0.000 -0.000 -0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.654 ( -0.000 0.000 0.000) 0.000 6.654 ( -0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 -0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 -0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 -0.000 -0.000) 0.000 7.104 ( -0.000 -0.000 0.000) 0.000 7.503 ( -0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 -0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.823 ( -0.000 -0.000 -0.000) 0.000 7.823 ( -0.000 0.000 -0.000) 0.000 7.923 ( -0.000 0.000 -0.000) 0.000 7.923 ( -0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.220 ( -0.000 -0.000 -0.000) 0.000 8.220 ( -0.000 0.000 0.000) 0.000 8.259 ( -0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 9.351 ( -0.000 -0.000 -0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.479 ( -0.000 0.000 -0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 12.569 ( -0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 12.669 ( 0.000 0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 13.218 ( -0.000 0.000 0.000) 0.000 13.218 ( -0.000 0.000 0.000) 0.000 14.883 ( 0.000 0.000 0.000) 0.000 14.883 ( 0.000 0.000 0.000) 0.000 14.976 ( -0.000 0.000 0.000) 0.000 14.976 ( 0.000 0.000 0.000) 0.000 15.102 ( -0.000 0.000 0.000) 0.000 15.102 ( 0.000 0.000 0.000) 0.000 15.176 ( -0.000 0.000 0.000) 0.000 15.176 ( 0.000 0.000 0.000) 0.000 17.985 ( -0.000 0.000 0.000) 0.000 17.985 ( -0.000 0.000 0.000) 0.000 18.074 ( 0.000 0.000 0.000) 0.000 18.074 ( 0.000 0.000 0.000) 0.000 18.576 ( 0.000 -0.000 0.000) 0.000 18.576 ( 0.000 -0.000 0.000) 0.000 18.591 ( 0.000 0.000 0.000) 0.000 18.591 ( -0.000 0.000 -0.000) 0.000 20.792 ( 0.000 0.000 0.000) 0.000 20.792 ( -0.000 0.000 0.000) 0.000 20.821 ( 0.000 -0.000 0.000) 0.000 20.821 ( -0.000 0.000 0.000) 0.000 21.167 ( 0.000 0.000 0.000) 0.000 21.167 ( 0.000 0.000 0.000) 0.000 21.231 ( 0.000 -0.000 0.000) 0.000 21.231 ( -0.000 0.000 0.000) 0.000 22.246 ( 0.000 0.000 0.000) 0.000 22.246 ( -0.000 0.000 0.000) 0.000 22.399 ( 0.000 0.000 0.000) 0.000 22.399 ( 0.000 0.000 0.000) 0.000 24.062 ( -0.000 0.000 0.000) 0.000 24.062 ( 0.000 0.000 0.000) 0.000 24.134 ( -0.000 0.000 0.000) 0.000 24.134 ( 0.000 0.000 0.000) 0.000 26.961 ( -0.000 0.000 0.000) 0.000 26.961 ( 0.000 0.000 0.000) 0.000 27.075 ( -0.000 0.000 0.000) 0.000 27.075 ( 0.000 0.000 0.000) 0.000 27.678 ( -0.000 0.000 -0.000) 0.000 27.678 ( 0.000 0.000 0.000) 0.000 27.743 ( -0.000 0.000 -0.000) 0.000 27.743 ( -0.000 0.000 0.000) 0.000 33.857 ( -0.000 0.000 -0.000) 0.000 33.857 ( -0.000 0.000 0.000) 0.000 33.859 ( -0.000 -0.000 0.000) 0.000 33.859 ( 0.000 0.000 0.000) 0.000 33.999 ( -0.000 0.000 0.000) 0.000 33.999 ( 0.000 0.000 0.000) 0.000 34.115 ( -0.000 0.000 -0.000) 0.000 34.115 ( 0.000 -0.000 0.000) 0.000 34.850 ( -0.000 0.000 0.000) 0.000 34.850 ( -0.000 0.000 0.000) 0.000 35.073 ( -0.000 0.000 0.000) 0.000 35.073 ( 0.000 0.000 0.000) 0.000 35.553 ( -0.000 0.000 0.000) 0.000 35.553 ( -0.000 0.000 0.000) 0.000 36.012 ( -0.000 0.000 0.000) 0.000 36.012 ( 0.000 0.000 0.000) 0.000 36.981 ( 0.000 0.000 0.000) 0.000 36.981 ( 0.000 0.000 0.000) 0.000 37.080 ( 0.000 0.000 0.000) 0.000 37.080 ( -0.000 0.000 0.000) 0.000 37.783 ( 0.000 0.000 0.000) 0.000 37.783 ( -0.000 0.000 0.000) 0.000 38.516 ( 0.000 0.000 -0.000) 0.000 38.516 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 160 (73/76) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -1.552 -14.326 -2.382) 14.606 1.500 ( -1.552 14.326 -2.382) 14.606 1.703 ( 4.271 -3.471 -5.511) 7.788 1.703 ( 4.271 3.471 -5.511) 7.788 2.236 ( -4.007 -14.854 -4.639) 16.070 2.236 ( -4.007 14.854 -4.639) 16.070 2.595 ( -4.811 -8.691 1.770) 10.090 2.595 ( -4.811 8.691 1.770) 10.090 2.789 ( 11.238 -11.914 1.135) 16.418 2.789 ( 11.238 11.914 1.135) 16.418 2.989 ( 11.666 -5.976 3.540) 13.577 2.989 ( 11.666 5.976 3.540) 13.577 3.221 ( 1.869 -2.146 2.815) 4.003 3.221 ( 1.869 2.146 2.815) 4.003 3.357 ( 2.627 -2.061 4.795) 5.843 3.357 ( 2.627 2.061 4.795) 5.843 3.583 ( -0.877 -2.757 -5.930) 6.598 3.583 ( -0.877 2.757 -5.930) 6.598 3.638 ( -6.056 -1.896 -0.889) 6.407 3.638 ( -6.056 1.896 -0.889) 6.407 3.938 ( 2.287 -6.230 1.717) 6.855 3.938 ( 2.287 6.230 1.717) 6.855 4.142 ( 5.397 -5.004 5.581) 9.236 4.142 ( 5.397 5.004 5.581) 9.236 4.410 ( 1.544 -5.691 -3.532) 6.873 4.410 ( 1.544 5.691 -3.532) 6.873 4.478 ( 3.829 -11.048 1.976) 11.859 4.478 ( 3.829 11.048 1.976) 11.859 4.610 ( -1.547 -6.970 -6.853) 9.897 4.610 ( -1.547 6.970 -6.853) 9.897 4.736 ( -2.535 -5.821 7.104) 9.528 4.736 ( -2.535 5.821 7.104) 9.528 5.022 ( -1.067 -2.328 -0.457) 2.601 5.022 ( -1.067 2.328 -0.457) 2.601 5.267 ( -0.096 -4.421 -2.023) 4.862 5.267 ( -0.096 4.421 -2.023) 4.862 5.835 ( -0.240 -1.054 -2.110) 2.371 5.835 ( -0.240 1.054 -2.110) 2.371 5.994 ( -0.493 -0.419 1.834) 1.945 5.994 ( -0.493 0.419 1.834) 1.945 6.238 ( 0.377 -6.231 -9.172) 11.095 6.238 ( 0.377 6.231 -9.172) 11.095 6.334 ( -3.472 -3.534 4.866) 6.944 6.334 ( -3.472 3.534 4.866) 6.944 6.639 ( -0.917 -2.351 -1.753) 3.072 6.639 ( -0.917 2.351 -1.753) 3.072 6.712 ( 1.901 -2.653 1.776) 3.715 6.712 ( 1.901 2.653 1.776) 3.715 6.899 ( -0.441 -3.510 -2.641) 4.414 6.899 ( -0.441 3.510 -2.641) 4.414 6.973 ( -3.494 -6.108 1.524) 7.200 6.973 ( -3.494 6.108 1.524) 7.200 7.096 ( -0.363 -2.766 -0.644) 2.863 7.096 ( -0.363 2.766 -0.644) 2.863 7.490 ( -1.730 -2.050 2.515) 3.677 7.490 ( -1.730 2.050 2.515) 3.677 7.801 ( -0.806 -3.617 1.011) 3.841 7.801 ( -0.806 3.617 1.011) 3.841 7.822 ( -1.607 -9.429 -4.756) 10.682 7.822 ( -1.607 9.429 -4.756) 10.682 7.955 ( 2.801 -16.532 3.001) 17.034 7.955 ( 2.801 16.532 3.001) 17.034 8.037 ( -1.806 -2.215 2.061) 3.524 8.037 ( -1.806 2.215 2.061) 3.524 8.198 ( -0.805 -4.734 -0.464) 4.824 8.198 ( -0.805 4.734 -0.464) 4.824 8.305 ( 2.227 -3.150 0.614) 3.907 8.305 ( 2.227 3.150 0.614) 3.907 9.285 ( -4.545 -5.069 -1.979) 7.090 9.285 ( -4.545 5.069 -1.979) 7.090 9.494 ( -2.107 -6.764 3.028) 7.705 9.494 ( -2.107 6.764 3.028) 7.705 12.592 ( 1.011 -4.564 0.780) 4.739 12.592 ( 1.011 4.564 0.780) 4.739 12.671 ( 1.323 -3.642 -0.120) 3.877 12.671 ( 1.323 3.642 -0.120) 3.877 13.064 ( -1.198 -0.737 -2.249) 2.653 13.064 ( -1.198 0.737 -2.249) 2.653 13.239 ( 0.507 -1.498 1.068) 1.908 13.239 ( 0.507 1.498 1.068) 1.908 14.891 ( -0.359 -2.444 0.148) 2.475 14.891 ( -0.359 2.444 0.148) 2.475 14.977 ( -0.839 -3.595 -0.151) 3.695 14.977 ( -0.839 3.595 -0.151) 3.695 15.080 ( 1.659 -1.777 -0.661) 2.519 15.080 ( 1.659 1.777 -0.661) 2.519 15.195 ( 0.741 -1.899 0.013) 2.039 15.195 ( 0.741 1.899 0.013) 2.039 17.977 ( -1.010 -1.453 0.304) 1.795 17.977 ( -1.010 1.453 0.304) 1.795 18.059 ( -1.382 -0.365 -0.642) 1.567 18.059 ( -1.382 0.365 -0.642) 1.567 18.558 ( -1.474 -1.900 -0.397) 2.437 18.558 ( -1.474 1.900 -0.397) 2.437 18.588 ( -0.926 -3.504 0.572) 3.669 18.588 ( -0.926 3.504 0.572) 3.669 20.790 ( -0.236 -1.281 0.156) 1.312 20.790 ( -0.236 1.281 0.156) 1.312 20.823 ( 0.341 -1.136 -0.296) 1.222 20.823 ( 0.341 1.136 -0.296) 1.222 21.166 ( -0.124 -0.278 -0.059) 0.310 21.166 ( -0.124 0.278 -0.059) 0.310 21.232 ( 0.000 -0.492 0.158) 0.517 21.232 ( 0.000 0.492 0.158) 0.517 22.240 ( -0.542 -0.410 -0.407) 0.793 22.240 ( -0.542 0.410 -0.407) 0.793 22.398 ( -0.224 -0.506 0.154) 0.574 22.398 ( -0.224 0.506 0.154) 0.574 24.059 ( -0.244 -0.429 -0.238) 0.548 24.059 ( -0.244 0.429 -0.238) 0.548 24.141 ( 0.603 -0.335 0.293) 0.749 24.141 ( 0.603 0.335 0.293) 0.749 26.979 ( 1.652 -1.872 0.299) 2.514 26.979 ( 1.652 1.872 0.299) 2.514 27.077 ( 0.599 -1.135 -0.293) 1.316 27.077 ( 0.599 1.135 -0.293) 1.316 27.649 ( -1.294 -0.785 -1.548) 2.165 27.649 ( -1.294 0.785 -1.548) 2.165 27.781 ( 2.175 -1.342 1.767) 3.107 27.781 ( 2.175 1.342 1.767) 3.107 33.785 ( -3.852 -1.777 -1.452) 4.484 33.785 ( -3.852 1.777 -1.452) 4.484 33.901 ( 0.598 -1.445 1.417) 2.110 33.901 ( 0.598 1.445 1.417) 2.110 33.967 ( -2.921 -1.575 -0.717) 3.395 33.967 ( -2.921 1.575 -0.717) 3.395 34.114 ( -1.314 -3.276 1.432) 3.810 34.114 ( -1.314 3.276 1.432) 3.810 34.805 ( -3.264 -2.722 -0.714) 4.310 34.805 ( -3.264 2.722 -0.714) 4.310 35.122 ( 4.028 -5.082 1.212) 6.597 35.122 ( 4.028 5.082 1.212) 6.597 35.585 ( 4.197 -1.394 -0.943) 4.522 35.585 ( 4.197 1.394 -0.943) 4.522 36.048 ( 3.868 -0.522 -0.194) 3.908 36.048 ( 3.868 0.522 -0.194) 3.908 36.938 ( -1.509 -0.926 -0.877) 1.976 36.938 ( -1.509 0.926 -0.877) 1.976 37.177 ( 7.593 -3.639 0.418) 8.430 37.177 ( 7.593 3.639 0.418) 8.430 37.801 ( 1.318 -4.875 1.725) 5.336 37.801 ( 1.318 4.875 1.725) 5.336 38.427 ( -10.049 -1.810 0.269) 10.214 38.427 ( -10.049 1.810 0.269) 10.214 ======================= Grid point 162 (74/76) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 2.619 -13.225 -4.733) 14.289 1.475 ( 2.619 13.225 -4.733) 14.289 1.751 ( 6.114 -2.992 -2.459) 7.237 1.751 ( 6.114 2.992 -2.459) 7.237 2.167 ( 0.109 -19.300 -4.403) 19.796 2.167 ( 0.109 19.300 -4.403) 19.796 2.657 ( 5.980 -4.706 6.459) 9.981 2.657 ( 5.980 4.706 6.459) 9.981 2.920 ( 5.322 -5.322 -1.158) 7.615 2.920 ( 5.322 5.322 -1.158) 7.615 3.128 ( 0.876 -7.372 -1.464) 7.567 3.128 ( 0.876 7.372 -1.464) 7.567 3.268 ( 0.818 -2.726 4.647) 5.449 3.268 ( 0.818 2.726 4.647) 5.449 3.444 ( 3.678 -0.635 2.130) 4.297 3.444 ( 3.678 0.635 2.130) 4.297 3.503 ( -0.986 -1.332 -2.656) 3.130 3.503 ( -0.986 1.332 -2.656) 3.130 3.639 ( 2.307 -5.222 2.667) 6.301 3.639 ( 2.307 5.222 2.667) 6.301 3.972 ( 1.058 -6.502 -1.791) 6.827 3.972 ( 1.058 6.502 -1.791) 6.827 4.229 ( -0.516 -6.070 3.613) 7.083 4.229 ( -0.516 6.070 3.613) 7.083 4.391 ( -1.568 -2.383 -1.643) 3.292 4.391 ( -1.568 2.383 -1.643) 3.292 4.532 ( 1.769 -5.962 -4.816) 7.866 4.532 ( 1.769 5.962 -4.816) 7.866 4.588 ( 5.010 -8.067 -0.196) 9.498 4.588 ( 5.010 8.067 -0.196) 9.498 4.769 ( -0.596 -2.148 6.594) 6.961 4.769 ( -0.596 2.148 6.594) 6.961 5.029 ( 3.368 -5.313 0.172) 6.293 5.029 ( 3.368 5.313 0.172) 6.293 5.252 ( 0.523 -7.697 -2.229) 8.030 5.252 ( 0.523 7.697 -2.229) 8.030 5.809 ( -0.716 -1.576 -1.625) 2.374 5.809 ( -0.716 1.576 -1.625) 2.374 5.969 ( -2.775 -1.837 -1.731) 3.751 5.969 ( -2.775 1.837 -1.731) 3.751 6.166 ( 1.541 -4.644 -9.532) 10.715 6.166 ( 1.541 4.644 -9.532) 10.715 6.327 ( -3.311 -4.141 6.944) 8.737 6.327 ( -3.311 4.141 6.944) 8.737 6.603 ( -1.148 -3.387 -0.987) 3.710 6.603 ( -1.148 3.387 -0.987) 3.710 6.747 ( 1.046 -4.185 -1.182) 4.472 6.747 ( 1.046 4.185 -1.182) 4.472 6.842 ( -2.998 -3.891 -2.416) 5.474 6.842 ( -2.998 3.891 -2.416) 5.474 6.957 ( 0.056 -5.516 2.643) 6.117 6.957 ( 0.056 5.516 2.643) 6.117 7.101 ( 0.282 -2.652 2.893) 3.934 7.101 ( 0.282 2.652 2.893) 3.934 7.511 ( -0.227 -3.594 5.649) 6.699 7.511 ( -0.227 3.594 5.649) 6.699 7.741 ( -2.158 -8.911 -4.978) 10.433 7.741 ( -2.158 8.911 -4.978) 10.433 7.787 ( -2.389 -2.119 0.065) 3.193 7.787 ( -2.389 2.119 0.065) 3.193 7.954 ( -2.089 -10.086 0.604) 10.318 7.954 ( -2.089 10.086 0.604) 10.318 8.079 ( 0.108 -8.177 3.031) 8.721 8.079 ( 0.108 8.177 3.031) 8.721 8.190 ( 0.721 -3.238 -0.274) 3.329 8.190 ( 0.721 3.238 -0.274) 3.329 8.323 ( 0.455 -2.431 -1.604) 2.948 8.323 ( 0.455 2.431 -1.604) 2.948 9.197 ( -4.499 -2.269 -0.317) 5.049 9.197 ( -4.499 2.269 -0.317) 5.049 9.430 ( -6.730 -7.114 0.000) 9.793 9.430 ( -6.730 7.114 0.000) 9.793 12.593 ( -0.121 -4.074 -0.466) 4.103 12.593 ( -0.121 4.074 -0.466) 4.103 12.720 ( 2.706 -2.646 0.599) 3.832 12.720 ( 2.706 2.646 0.599) 3.832 13.053 ( 1.363 -0.436 0.369) 1.478 13.053 ( 1.363 0.436 0.369) 1.478 13.233 ( -1.254 -1.897 -0.523) 2.333 13.233 ( -1.254 1.897 -0.523) 2.333 14.839 ( -3.065 -5.565 -1.324) 6.490 14.839 ( -3.065 5.565 -1.324) 6.490 14.997 ( 2.086 -1.148 0.479) 2.429 14.997 ( 2.086 1.148 0.479) 2.429 15.138 ( 3.319 -2.421 0.767) 4.179 15.138 ( 3.319 2.421 0.767) 4.179 15.197 ( 0.365 -1.587 -0.447) 1.688 15.197 ( 0.365 1.587 -0.447) 1.688 17.959 ( -1.482 -1.756 0.247) 2.311 17.959 ( -1.482 1.756 0.247) 2.311 18.023 ( -2.017 -0.952 -0.267) 2.246 18.023 ( -2.017 0.952 -0.267) 2.246 18.527 ( -1.866 -1.592 -0.196) 2.460 18.527 ( -1.866 1.592 -0.196) 2.460 18.567 ( -1.960 -3.540 0.211) 4.052 18.567 ( -1.960 3.540 0.211) 4.052 20.788 ( -0.192 -1.729 0.311) 1.767 20.788 ( -0.192 1.729 0.311) 1.767 20.825 ( 0.366 -1.562 -0.537) 1.692 20.825 ( 0.366 1.562 -0.537) 1.692 21.163 ( -0.190 -0.471 0.050) 0.510 21.163 ( -0.190 0.471 0.050) 0.510 21.233 ( -0.044 -0.716 -0.001) 0.717 21.233 ( -0.044 0.716 -0.001) 0.717 22.224 ( -0.732 -0.450 -0.595) 1.045 22.224 ( -0.732 0.450 -0.595) 1.045 22.394 ( -0.424 -0.900 0.371) 1.062 22.394 ( -0.424 0.900 0.371) 1.062 24.052 ( -0.312 -0.646 -0.312) 0.782 24.052 ( -0.312 0.646 -0.312) 0.782 24.156 ( 0.754 -0.529 0.385) 0.998 24.156 ( 0.754 0.529 0.385) 0.998 27.007 ( 1.528 -0.823 -0.248) 1.753 27.007 ( 1.528 0.823 -0.248) 1.753 27.098 ( 1.708 -2.591 0.245) 3.113 27.098 ( 1.708 2.591 0.245) 3.113 27.624 ( -0.519 -0.491 -0.456) 0.848 27.624 ( -0.519 0.491 -0.456) 0.848 27.825 ( 1.475 -1.597 0.608) 2.257 27.825 ( 1.475 1.597 0.608) 2.257 33.712 ( -3.979 -3.322 0.530) 5.211 33.712 ( -3.979 3.322 0.530) 5.211 33.879 ( -3.573 -2.036 -0.823) 4.194 33.879 ( -3.573 2.036 -0.823) 4.194 33.931 ( -0.207 -1.710 0.015) 1.723 33.931 ( -0.207 1.710 0.015) 1.723 34.082 ( -3.161 -3.808 -0.041) 4.949 34.082 ( -3.161 3.808 -0.041) 4.949 34.762 ( -1.651 -3.027 0.643) 3.507 34.762 ( -1.651 3.027 0.643) 3.507 35.205 ( 4.532 -6.927 0.218) 8.281 35.205 ( 4.532 6.927 0.218) 8.281 35.672 ( 6.372 -1.613 0.011) 6.573 35.672 ( 6.372 1.613 0.011) 6.573 36.118 ( 4.266 -1.455 -0.616) 4.549 36.118 ( 4.266 1.455 -0.616) 4.549 36.945 ( 2.557 -1.734 0.825) 3.197 36.945 ( 2.557 1.734 0.825) 3.197 37.291 ( 4.878 -2.104 0.278) 5.319 37.291 ( 4.878 2.104 0.278) 5.319 37.857 ( 4.439 -10.704 -1.278) 11.658 37.857 ( 4.439 10.704 -1.278) 11.658 38.213 ( -15.452 -3.082 2.803) 16.004 38.213 ( -15.452 3.082 2.803) 16.004 ======================= Grid point 164 (75/76) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 5.270 -9.796 -3.449) 11.646 1.508 ( 5.270 9.796 -3.449) 11.646 1.857 ( 6.656 -3.921 -0.123) 7.726 1.857 ( 6.656 3.921 -0.123) 7.726 2.169 ( 2.520 -15.022 -0.417) 15.238 2.169 ( 2.520 15.022 -0.417) 15.238 2.759 ( -0.575 -4.683 -1.996) 5.123 2.759 ( -0.575 4.683 -1.996) 5.123 2.969 ( 5.636 -1.939 -4.367) 7.389 2.969 ( 5.636 1.939 -4.367) 7.389 3.124 ( -2.346 -5.845 7.603) 9.873 3.124 ( -2.346 5.845 7.603) 9.873 3.356 ( 2.147 -0.961 4.731) 5.283 3.356 ( 2.147 0.961 4.731) 5.283 3.428 ( -0.312 -1.936 1.735) 2.618 3.428 ( -0.312 1.936 1.735) 2.618 3.536 ( 2.436 -0.971 -4.940) 5.593 3.536 ( 2.436 0.971 -4.940) 5.593 3.699 ( 1.921 -3.586 2.881) 4.985 3.699 ( 1.921 3.586 2.881) 4.985 3.953 ( 0.042 -1.469 -2.927) 3.275 3.953 ( 0.042 1.469 -2.927) 3.275 4.183 ( -4.814 -0.434 -1.692) 5.121 4.183 ( -4.814 0.434 -1.692) 5.121 4.381 ( 1.186 -2.545 2.946) 4.070 4.381 ( 1.186 2.545 2.946) 4.070 4.544 ( 0.397 -3.185 -1.538) 3.559 4.544 ( 0.397 3.185 -1.538) 3.559 4.653 ( 3.525 -8.103 1.029) 8.896 4.653 ( 3.525 8.103 1.029) 8.896 4.798 ( -0.490 -3.547 1.090) 3.743 4.798 ( -0.490 3.547 1.090) 3.743 5.127 ( 6.879 -11.470 -4.368) 14.070 5.127 ( 6.879 11.470 -4.368) 14.070 5.255 ( 0.992 -4.635 2.705) 5.457 5.255 ( 0.992 4.635 2.705) 5.457 5.797 ( 0.019 -1.183 1.709) 2.078 5.797 ( 0.019 1.183 1.709) 2.078 5.902 ( -2.080 -2.355 -2.011) 3.730 5.902 ( -2.080 2.355 -2.011) 3.730 6.136 ( 3.092 -2.938 -6.531) 7.801 6.136 ( 3.092 2.938 -6.531) 7.801 6.320 ( -3.314 -0.822 2.524) 4.247 6.320 ( -3.314 0.822 2.524) 4.247 6.597 ( 0.681 -2.919 -0.097) 2.999 6.597 ( 0.681 2.919 -0.097) 2.999 6.712 ( -1.715 -5.614 -1.599) 6.085 6.712 ( -1.715 5.614 -1.599) 6.085 6.813 ( 0.120 -2.475 -0.081) 2.479 6.813 ( 0.120 2.475 -0.081) 2.479 6.992 ( 1.541 -2.625 1.373) 3.340 6.992 ( 1.541 2.625 1.373) 3.340 7.154 ( 0.639 -1.423 5.754) 5.961 7.154 ( 0.639 1.423 5.754) 5.962 7.546 ( -2.740 -3.331 5.914) 7.320 7.546 ( -2.740 3.331 5.914) 7.320 7.672 ( -2.353 -4.994 -2.342) 5.997 7.672 ( -2.353 4.994 -2.342) 5.997 7.733 ( -1.189 -4.073 -1.199) 4.410 7.733 ( -1.189 4.073 -1.199) 4.410 7.925 ( -2.179 -15.681 -1.753) 15.929 7.925 ( -2.179 15.681 -1.753) 15.929 8.065 ( -1.769 -2.356 -0.437) 2.978 8.065 ( -1.769 2.356 -0.437) 2.978 8.204 ( 0.313 -3.555 0.237) 3.576 8.204 ( 0.313 3.555 0.237) 3.576 8.293 ( -1.217 -1.169 -2.935) 3.385 8.293 ( -1.217 1.169 -2.935) 3.385 9.134 ( -2.878 -1.706 1.022) 3.499 9.134 ( -2.878 1.706 1.022) 3.499 9.304 ( -6.171 -7.604 -1.769) 9.952 9.304 ( -6.171 7.604 -1.769) 9.952 12.596 ( 0.594 -2.326 -0.020) 2.401 12.596 ( 0.594 2.326 -0.020) 2.401 12.750 ( 1.144 -1.943 -0.248) 2.269 12.750 ( 1.144 1.943 -0.248) 2.269 13.096 ( 1.179 -0.509 1.453) 1.939 13.096 ( 1.179 0.509 1.453) 1.939 13.208 ( -0.402 -1.221 -0.488) 1.375 13.208 ( -0.402 1.221 -0.488) 1.375 14.816 ( 0.479 -5.747 1.731) 6.021 14.816 ( 0.479 5.747 1.731) 6.021 15.009 ( -0.225 -1.166 -2.060) 2.378 15.009 ( -0.225 1.166 -2.060) 2.378 15.181 ( 1.695 -1.177 -0.204) 2.073 15.181 ( 1.695 1.177 -0.204) 2.073 15.213 ( 1.095 -1.497 0.410) 1.899 15.213 ( 1.095 1.497 0.410) 1.899 17.929 ( -1.714 -1.111 -0.414) 2.084 17.929 ( -1.714 1.111 -0.414) 2.084 17.997 ( -1.344 -0.781 0.767) 1.734 17.997 ( -1.344 0.781 0.767) 1.734 18.495 ( -1.560 -1.275 -0.099) 2.017 18.495 ( -1.560 1.275 -0.099) 2.017 18.532 ( -1.912 -2.482 -0.078) 3.134 18.532 ( -1.912 2.482 -0.078) 3.134 20.789 ( -0.085 -1.531 0.375) 1.578 20.789 ( -0.085 1.531 0.375) 1.578 20.826 ( 0.253 -1.446 -0.580) 1.578 20.826 ( 0.253 1.446 -0.580) 1.578 21.162 ( -0.056 -0.479 0.280) 0.558 21.162 ( -0.056 0.479 0.280) 0.558 21.230 ( -0.168 -0.660 -0.319) 0.752 21.230 ( -0.168 0.660 -0.319) 0.752 22.207 ( -0.551 -0.291 -0.457) 0.772 22.207 ( -0.551 0.291 -0.457) 0.772 22.390 ( -0.433 -0.935 0.424) 1.114 22.390 ( -0.433 0.935 0.424) 1.114 24.044 ( -0.250 -0.571 -0.260) 0.676 24.044 ( -0.250 0.571 -0.260) 0.676 24.171 ( 0.564 -0.502 0.322) 0.820 24.171 ( 0.564 0.502 0.322) 0.820 27.035 ( 1.874 -1.193 0.391) 2.255 27.035 ( 1.874 1.193 0.391) 2.255 27.122 ( 0.795 -3.207 -0.399) 3.328 27.122 ( 0.795 3.207 -0.399) 3.328 27.624 ( 0.252 -0.430 0.734) 0.888 27.624 ( 0.252 0.430 0.734) 0.888 27.837 ( 0.165 -1.568 -0.846) 1.789 27.837 ( 0.165 1.568 -0.846) 1.789 33.670 ( -2.431 -6.087 2.419) 6.987 33.670 ( -2.431 6.087 2.419) 6.987 33.810 ( -2.946 -5.878 -1.705) 6.792 33.810 ( -2.946 5.878 -1.705) 6.792 33.930 ( 0.022 -1.513 -0.347) 1.552 33.930 ( 0.022 1.513 -0.347) 1.552 34.022 ( -2.832 -2.098 -0.957) 3.652 34.022 ( -2.832 2.098 -0.957) 3.652 34.750 ( -0.790 -2.343 0.792) 2.596 34.750 ( -0.790 2.343 0.792) 2.596 35.267 ( 3.211 -6.259 -1.069) 7.115 35.267 ( 3.211 6.259 -1.069) 7.115 35.786 ( 5.764 -2.205 1.335) 6.314 35.786 ( 5.764 2.205 1.335) 6.314 36.171 ( 2.683 -2.161 -0.909) 3.563 36.171 ( 2.683 2.161 -0.909) 3.563 37.034 ( 5.114 -4.421 3.752) 7.731 37.034 ( 5.114 4.421 3.752) 7.731 37.350 ( 1.949 -1.658 1.124) 2.795 37.350 ( 1.949 1.658 1.124) 2.795 37.827 ( -4.429 -16.874 -12.424) 21.418 37.827 ( -4.429 16.874 -12.424) 21.418 38.064 ( -5.501 -8.416 10.219) 14.336 38.064 ( -5.501 8.416 10.219) 14.336 ======================= Grid point 166 (76/76) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 3.096 -4.041 -1.048) 5.198 1.568 ( 3.096 4.041 -1.048) 5.198 1.939 ( 2.725 -1.603 -0.352) 3.181 1.939 ( 2.725 1.603 -0.352) 3.181 2.227 ( 1.907 -6.660 2.537) 7.378 2.227 ( 1.907 6.660 2.537) 7.378 2.673 ( -2.009 -3.074 -4.968) 6.178 2.673 ( -2.009 3.074 -4.968) 6.178 3.041 ( 5.708 -3.527 -2.854) 7.292 3.041 ( 5.708 3.527 -2.854) 7.292 3.110 ( -6.050 -6.460 5.097) 10.214 3.110 ( -6.050 6.460 5.097) 10.214 3.366 ( -0.696 -2.383 2.068) 3.231 3.366 ( -0.696 2.383 2.068) 3.231 3.478 ( -1.376 -1.039 -2.135) 2.745 3.478 ( -1.376 1.039 -2.135) 2.745 3.558 ( 4.736 -2.894 2.825) 6.228 3.558 ( 4.736 2.894 2.825) 6.228 3.743 ( 1.301 -0.913 -0.516) 1.671 3.743 ( 1.301 0.913 -0.516) 1.671 3.947 ( 1.116 -3.510 0.123) 3.685 3.947 ( 1.116 3.510 0.123) 3.685 4.085 ( -3.853 -2.349 -2.140) 4.994 4.085 ( -3.853 2.349 -2.140) 4.994 4.457 ( 3.265 -4.726 2.044) 6.097 4.457 ( 3.265 4.726 2.044) 6.097 4.519 ( -1.703 -3.552 1.125) 4.096 4.519 ( -1.703 3.552 1.125) 4.096 4.719 ( 2.718 -2.605 0.471) 3.794 4.719 ( 2.718 2.605 0.471) 3.794 4.768 ( -2.358 -2.885 -1.600) 4.055 4.768 ( -2.358 2.885 -1.600) 4.055 5.139 ( 1.330 -6.931 -4.081) 8.153 5.139 ( 1.330 6.931 -4.081) 8.153 5.322 ( 1.555 -1.757 2.663) 3.548 5.322 ( 1.555 1.757 2.663) 3.548 5.831 ( 0.376 -3.662 0.965) 3.805 5.831 ( 0.376 3.662 0.965) 3.805 5.896 ( 2.028 -4.160 2.483) 5.251 5.896 ( 2.028 4.160 2.483) 5.251 6.122 ( -0.460 -3.234 -4.044) 5.198 6.122 ( -0.460 3.234 -4.044) 5.198 6.270 ( -1.790 -2.358 -0.738) 3.051 6.270 ( -1.790 2.358 -0.738) 3.051 6.606 ( 0.918 -0.954 -0.867) 1.583 6.606 ( 0.918 0.954 -0.867) 1.583 6.715 ( 1.050 -2.433 1.443) 3.018 6.715 ( 1.050 2.433 1.443) 3.018 6.805 ( -0.548 -1.417 -0.839) 1.736 6.805 ( -0.548 1.417 -0.839) 1.736 7.023 ( 0.472 -0.933 0.947) 1.410 7.023 ( 0.472 0.933 0.947) 1.410 7.194 ( -0.440 -1.644 2.673) 3.169 7.194 ( -0.440 1.644 2.673) 3.169 7.542 ( -0.748 -4.517 1.028) 4.692 7.542 ( -0.748 4.517 1.028) 4.692 7.626 ( -1.920 -6.106 3.739) 7.412 7.626 ( -1.920 6.106 3.739) 7.412 7.733 ( 0.344 -8.504 -3.332) 9.140 7.733 ( 0.344 8.504 -3.332) 9.140 7.842 ( -2.640 -9.717 -2.265) 10.321 7.842 ( -2.640 9.717 -2.265) 10.321 8.036 ( -0.714 -1.364 -0.747) 1.711 8.036 ( -0.714 1.364 -0.747) 1.711 8.204 ( -0.610 -3.497 0.556) 3.593 8.204 ( -0.610 3.497 0.556) 3.593 8.261 ( 0.092 -2.490 -1.445) 2.881 8.261 ( 0.092 2.490 -1.445) 2.881 9.127 ( 0.382 -3.450 1.580) 3.814 9.127 ( 0.382 3.450 1.580) 3.814 9.206 ( -3.265 -5.252 -1.632) 6.396 9.206 ( -3.265 5.252 -1.632) 6.396 12.604 ( 0.241 -0.872 0.055) 0.906 12.604 ( 0.241 0.872 0.055) 0.906 12.768 ( 0.869 -1.084 0.138) 1.396 12.768 ( 0.869 1.084 0.138) 1.396 13.095 ( -0.824 -0.500 -0.248) 0.996 13.095 ( -0.824 0.501 -0.248) 0.996 13.217 ( 0.618 -0.209 0.415) 0.774 13.217 ( 0.618 0.209 0.415) 0.774 14.872 ( 2.295 -4.618 4.022) 6.540 14.872 ( 2.295 4.618 4.022) 6.540 14.961 ( -1.763 -3.114 -3.925) 5.311 14.961 ( -1.763 3.114 -3.925) 5.311 15.199 ( 0.652 -0.452 -0.204) 0.819 15.199 ( 0.652 0.452 -0.204) 0.819 15.227 ( 0.281 -0.567 0.198) 0.663 15.227 ( 0.281 0.567 0.198) 0.663 17.904 ( -0.752 -0.442 -0.243) 0.906 17.904 ( -0.752 0.442 -0.243) 0.906 17.986 ( -0.533 -0.337 0.423) 0.759 17.986 ( -0.533 0.337 0.423) 0.759 18.476 ( -0.601 -0.494 -0.035) 0.779 18.476 ( -0.601 0.494 -0.035) 0.779 18.508 ( -0.760 -0.866 -0.057) 1.153 18.508 ( -0.760 0.866 -0.057) 1.153 20.791 ( -0.020 -0.654 0.188) 0.681 20.791 ( -0.020 0.654 0.188) 0.681 20.825 ( 0.089 -0.637 -0.270) 0.697 20.825 ( 0.089 0.637 -0.270) 0.697 21.165 ( 0.049 -0.228 0.226) 0.325 21.165 ( 0.049 0.228 0.226) 0.325 21.223 ( -0.139 -0.299 -0.258) 0.419 21.223 ( -0.139 0.299 -0.258) 0.419 22.198 ( -0.190 -0.111 -0.156) 0.270 22.198 ( -0.190 0.111 -0.156) 0.270 22.388 ( -0.190 -0.406 0.184) 0.484 22.388 ( -0.190 0.406 0.184) 0.484 24.039 ( -0.094 -0.228 -0.102) 0.267 24.039 ( -0.094 0.228 -0.102) 0.267 24.180 ( 0.206 -0.209 0.129) 0.321 24.180 ( 0.206 0.209 0.129) 0.321 27.076 ( 1.914 -2.450 1.258) 3.354 27.076 ( 1.914 2.450 1.258) 3.354 27.113 ( -0.904 -3.077 -1.264) 3.447 27.113 ( -0.904 3.077 -1.264) 3.447 27.638 ( 0.304 -0.300 0.666) 0.791 27.638 ( 0.304 0.300 0.666) 0.791 27.826 ( -0.235 -0.755 -0.775) 1.107 27.826 ( -0.235 0.755 -0.775) 1.107 33.669 ( -0.519 -5.487 2.130) 5.909 33.669 ( -0.519 5.487 2.130) 5.909 33.756 ( -1.308 -5.799 -1.612) 6.160 33.756 ( -1.308 5.799 -1.612) 6.160 33.926 ( -0.028 -0.847 -0.415) 0.943 33.926 ( -0.028 0.847 -0.415) 0.943 33.983 ( -0.990 -0.417 -0.297) 1.114 33.983 ( -0.990 0.417 -0.297) 1.114 34.746 ( -0.302 -0.870 0.240) 0.952 34.746 ( -0.302 0.870 0.240) 0.952 35.296 ( 1.118 -2.461 -0.674) 2.786 35.296 ( 1.118 2.461 -0.674) 2.786 35.868 ( 2.306 -1.247 0.798) 2.740 35.868 ( 2.306 1.247 0.798) 2.740 36.194 ( 0.859 -1.210 -0.488) 1.562 36.194 ( 0.859 1.210 -0.488) 1.562 37.151 ( 3.447 -4.082 3.131) 6.193 37.151 ( 3.447 4.082 3.131) 6.193 37.406 ( 3.172 -4.912 3.625) 6.880 37.406 ( 3.172 4.912 3.625) 6.880 37.602 ( -7.865 -9.216 -8.726) 14.931 37.602 ( -7.865 9.216 -8.726) 14.931 38.098 ( 0.152 -2.109 3.131) 3.778 38.098 ( 0.152 2.109 3.131) 3.778 =================== 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 3/31104 10.0 344.441 236.099 283.316 0.000 10.261 0.000 3/31104 20.0 96.935 65.767 64.192 0.000 9.575 0.000 3/31104 30.0 40.305 28.500 25.690 0.000 4.640 0.000 3/31104 40.0 22.826 16.814 14.655 0.000 2.820 0.000 3/31104 50.0 15.186 11.562 9.950 0.000 1.933 0.000 3/31104 60.0 11.106 8.685 7.437 0.000 1.429 0.000 3/31104 70.0 8.648 6.915 5.904 0.000 1.114 0.000 3/31104 80.0 7.041 5.739 4.886 0.000 0.906 0.000 3/31104 90.0 5.924 4.910 4.165 0.000 0.760 0.000 3/31104 100.0 5.109 4.298 3.631 0.000 0.654 0.000 3/31104 110.0 4.492 3.831 3.219 0.000 0.574 0.000 3/31104 120.0 4.009 3.462 2.893 0.000 0.512 0.000 3/31104 130.0 3.623 3.164 2.629 0.000 0.462 0.000 3/31104 140.0 3.305 2.919 2.409 0.000 0.421 0.000 3/31104 150.0 3.041 2.713 2.225 0.000 0.387 0.000 3/31104 160.0 2.817 2.537 2.067 0.000 0.359 0.000 3/31104 170.0 2.625 2.386 1.931 0.000 0.335 0.000 3/31104 180.0 2.458 2.254 1.813 0.000 0.313 0.000 3/31104 190.0 2.313 2.138 1.708 0.000 0.295 0.000 3/31104 200.0 2.184 2.035 1.615 0.000 0.278 0.000 3/31104 210.0 2.069 1.942 1.532 0.000 0.264 0.000 3/31104 220.0 1.966 1.858 1.458 0.000 0.251 0.000 3/31104 230.0 1.874 1.783 1.391 0.000 0.239 0.000 3/31104 240.0 1.790 1.714 1.330 0.000 0.228 0.000 3/31104 250.0 1.713 1.650 1.274 0.000 0.218 0.000 3/31104 260.0 1.644 1.592 1.224 0.000 0.209 0.000 3/31104 270.0 1.580 1.538 1.177 0.000 0.201 0.000 3/31104 280.0 1.521 1.488 1.134 0.000 0.193 0.000 3/31104 290.0 1.466 1.441 1.094 0.000 0.186 0.000 3/31104 300.0 1.416 1.398 1.057 0.000 0.180 0.000 3/31104 310.0 1.369 1.357 1.023 0.000 0.173 0.000 3/31104 320.0 1.325 1.319 0.991 0.000 0.168 0.000 3/31104 330.0 1.284 1.283 0.961 0.000 0.162 0.000 3/31104 340.0 1.246 1.249 0.933 0.000 0.157 0.000 3/31104 350.0 1.210 1.217 0.907 0.000 0.152 0.000 3/31104 360.0 1.176 1.187 0.883 0.000 0.148 0.000 3/31104 370.0 1.145 1.158 0.860 0.000 0.143 0.000 3/31104 380.0 1.115 1.131 0.838 0.000 0.139 0.000 3/31104 390.0 1.086 1.105 0.817 0.000 0.136 0.000 3/31104 400.0 1.059 1.080 0.797 0.000 0.132 0.000 3/31104 410.0 1.034 1.057 0.779 0.000 0.128 0.000 3/31104 420.0 1.010 1.034 0.761 0.000 0.125 0.000 3/31104 430.0 0.987 1.013 0.744 0.000 0.122 0.000 3/31104 440.0 0.965 0.992 0.729 0.000 0.119 0.000 3/31104 450.0 0.944 0.972 0.713 0.000 0.116 0.000 3/31104 460.0 0.924 0.953 0.699 0.000 0.113 0.000 3/31104 470.0 0.905 0.935 0.685 0.000 0.111 0.000 3/31104 480.0 0.886 0.918 0.672 0.000 0.108 0.000 3/31104 490.0 0.869 0.901 0.659 0.000 0.106 0.000 3/31104 500.0 0.852 0.885 0.647 0.000 0.103 0.000 3/31104 510.0 0.836 0.869 0.635 0.000 0.101 0.000 3/31104 520.0 0.820 0.854 0.623 0.000 0.099 0.000 3/31104 530.0 0.806 0.840 0.613 0.000 0.097 0.000 3/31104 540.0 0.791 0.826 0.602 0.000 0.095 0.000 3/31104 550.0 0.777 0.813 0.592 0.000 0.093 0.000 3/31104 560.0 0.764 0.799 0.582 0.000 0.091 0.000 3/31104 570.0 0.751 0.787 0.573 0.000 0.090 0.000 3/31104 580.0 0.739 0.775 0.564 0.000 0.088 0.000 3/31104 590.0 0.727 0.763 0.555 0.000 0.086 0.000 3/31104 600.0 0.715 0.751 0.547 0.000 0.085 0.000 3/31104 610.0 0.704 0.740 0.538 0.000 0.083 0.000 3/31104 620.0 0.693 0.729 0.531 0.000 0.082 0.000 3/31104 630.0 0.683 0.719 0.523 0.000 0.080 0.000 3/31104 640.0 0.673 0.709 0.515 0.000 0.079 0.000 3/31104 650.0 0.663 0.699 0.508 0.000 0.078 0.000 3/31104 660.0 0.653 0.689 0.501 0.000 0.076 0.000 3/31104 670.0 0.644 0.680 0.494 0.000 0.075 0.000 3/31104 680.0 0.635 0.671 0.488 0.000 0.074 0.000 3/31104 690.0 0.626 0.662 0.481 0.000 0.073 0.000 3/31104 700.0 0.618 0.653 0.475 0.000 0.071 0.000 3/31104 710.0 0.609 0.645 0.469 0.000 0.070 0.000 3/31104 720.0 0.601 0.637 0.463 0.000 0.069 0.000 3/31104 730.0 0.593 0.629 0.457 0.000 0.068 0.000 3/31104 740.0 0.586 0.621 0.451 0.000 0.067 0.000 3/31104 750.0 0.578 0.614 0.446 0.000 0.066 0.000 3/31104 760.0 0.571 0.606 0.440 0.000 0.065 0.000 3/31104 770.0 0.564 0.599 0.435 0.000 0.064 0.000 3/31104 780.0 0.557 0.592 0.430 0.000 0.064 0.000 3/31104 790.0 0.551 0.585 0.425 0.000 0.063 0.000 3/31104 800.0 0.544 0.578 0.420 0.000 0.062 0.000 3/31104 810.0 0.538 0.572 0.415 0.000 0.061 0.000 3/31104 820.0 0.531 0.565 0.411 0.000 0.060 0.000 3/31104 830.0 0.525 0.559 0.406 0.000 0.059 0.000 3/31104 840.0 0.519 0.553 0.402 0.000 0.059 0.000 3/31104 850.0 0.514 0.547 0.397 0.000 0.058 0.000 3/31104 860.0 0.508 0.541 0.393 0.000 0.057 0.000 3/31104 870.0 0.502 0.535 0.389 0.000 0.056 0.000 3/31104 880.0 0.497 0.530 0.385 0.000 0.056 0.000 3/31104 890.0 0.492 0.524 0.381 0.000 0.055 0.000 3/31104 900.0 0.486 0.519 0.377 0.000 0.054 0.000 3/31104 910.0 0.481 0.514 0.373 0.000 0.054 0.000 3/31104 920.0 0.476 0.509 0.370 0.000 0.053 0.000 3/31104 930.0 0.471 0.503 0.366 0.000 0.053 0.000 3/31104 940.0 0.467 0.498 0.362 0.000 0.052 0.000 3/31104 950.0 0.462 0.494 0.359 0.000 0.051 0.000 3/31104 960.0 0.457 0.489 0.355 0.000 0.051 0.000 3/31104 970.0 0.453 0.484 0.352 0.000 0.050 0.000 3/31104 980.0 0.448 0.480 0.349 0.000 0.050 0.000 3/31104 990.0 0.444 0.475 0.345 0.000 0.049 0.000 3/31104 1000.0 0.440 0.471 0.342 0.000 0.049 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m964.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:58:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|