----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:31:03]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.140770065823759 -2.942514220000000 0.000000000000000 b 5.140770065823759 2.942514220000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): *1 O 0.65676828783315 0.34323171216685 0.25000000000000 15.999 2 O 0.34323171216685 0.65676828783315 0.75000000000000 15.999 *3 O 0.70206577339385 0.51800096892662 0.43630823395231 15.999 4 O 0.48199903107338 0.29793422660615 0.06369176604769 15.999 5 O 0.29793422660615 0.48199903107338 0.56369176604769 15.999 6 O 0.51800096892662 0.70206577339385 0.93630823395231 15.999 *7 O 0.09918532620123 0.10199736346429 0.36546322760719 15.999 8 O 0.89800263653571 0.90081467379877 0.13453677239281 15.999 9 O 0.90081467379877 0.89800263653571 0.63453677239281 15.999 10 O 0.10199736346429 0.09918532620123 0.86546322760719 15.999 *11 O 0.07843845882117 0.68753500509989 0.87620054526685 15.999 12 O 0.31246499490011 0.92156154117883 0.62379945473315 15.999 13 O 0.92156154117883 0.31246499490011 0.12379945473315 15.999 14 O 0.68753500509989 0.07843845882117 0.37620054526685 15.999 *15 P 0.79977352767485 0.25253999766355 0.36515918799279 30.974 16 P 0.74746000233645 0.20022647232515 0.13484081200721 30.974 17 P 0.20022647232515 0.74746000233645 0.63484081200721 30.974 18 P 0.25253999766355 0.79977352767485 0.86515918799279 30.974 *19 Rb 0.86732788729024 0.43094701832459 0.66529519689051 85.468 20 Rb 0.56905298167542 0.13267211270976 0.83470480310949 85.468 21 Rb 0.13267211270976 0.56905298167542 0.33470480310949 85.468 22 Rb 0.43094701832458 0.86732788729024 0.16529519689051 85.468 *23 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 24 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.281540131647517 0.000000000000000 0.000000000000000 b 0.000000000000000 5.885028440000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): *1 O 0.00000000000000 0.34323171216685 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.65676828783315 0.75000000000000 15.999 > 2 *3 O 0.11003337116023 0.40796759776639 0.43630823395231 15.999 > 3 4 O 0.88996662883976 0.40796759776639 0.06369176604769 15.999 > 4 5 O 0.88996662883976 0.59203240223361 0.56369176604769 15.999 > 5 6 O 0.11003337116023 0.59203240223361 0.93630823395231 15.999 > 6 *7 O 0.10059134483276 0.00140601863153 0.36546322760719 15.999 > 7 8 O 0.89940865516724 0.00140601863153 0.13453677239281 15.999 > 8 9 O 0.89940865516724 0.99859398136847 0.63453677239281 15.999 > 9 10 O 0.10059134483276 0.99859398136847 0.86546322760719 15.999 > 10 *11 O 0.38298673196053 0.30454827313936 0.87620054526685 15.999 > 11 12 O 0.11701326803947 0.80454827313936 0.62379945473315 15.999 > 12 13 O 0.61701326803947 0.69545172686064 0.12379945473315 15.999 > 13 14 O 0.88298673196053 0.19545172686064 0.37620054526685 15.999 > 14 15 O 0.50000000000000 0.84323171216685 0.25000000000000 15.999 > 1 16 O 0.50000000000000 0.15676828783315 0.75000000000000 15.999 > 2 17 O 0.61003337116024 0.90796759776639 0.43630823395231 15.999 > 3 18 O 0.38996662883977 0.90796759776639 0.06369176604769 15.999 > 4 19 O 0.38996662883977 0.09203240223361 0.56369176604769 15.999 > 5 20 O 0.61003337116024 0.09203240223361 0.93630823395231 15.999 > 6 21 O 0.60059134483276 0.50140601863153 0.36546322760719 15.999 > 7 22 O 0.39940865516724 0.50140601863153 0.13453677239281 15.999 > 8 23 O 0.39940865516724 0.49859398136847 0.63453677239281 15.999 > 9 24 O 0.60059134483276 0.49859398136847 0.86546322760719 15.999 > 10 25 O 0.88298673196053 0.80454827313936 0.87620054526685 15.999 > 11 26 O 0.61701326803947 0.30454827313936 0.62379945473315 15.999 > 12 27 O 0.11701326803947 0.19545172686064 0.12379945473315 15.999 > 13 28 O 0.38298673196053 0.69545172686064 0.37620054526685 15.999 > 14 *29 P 0.02615676266920 0.22638323499435 0.36515918799279 30.974 > 15 30 P 0.97384323733080 0.22638323499435 0.13484081200721 30.974 > 16 31 P 0.97384323733080 0.77361676500565 0.63484081200721 30.974 > 17 32 P 0.02615676266920 0.77361676500565 0.86515918799279 30.974 > 18 33 P 0.52615676266920 0.72638323499435 0.36515918799279 30.974 > 15 34 P 0.47384323733080 0.72638323499435 0.13484081200721 30.974 > 16 35 P 0.47384323733080 0.27361676500565 0.63484081200721 30.974 > 17 36 P 0.52615676266920 0.27361676500565 0.86515918799279 30.974 > 18 *37 Rb 0.14913745280741 0.28180956551717 0.66529519689051 85.468 > 19 38 Rb 0.35086254719259 0.78180956551717 0.83470480310949 85.468 > 20 39 Rb 0.85086254719259 0.71819043448283 0.33470480310949 85.468 > 21 40 Rb 0.64913745280741 0.21819043448283 0.16529519689051 85.468 > 22 41 Rb 0.64913745280741 0.78180956551717 0.66529519689051 85.468 > 19 42 Rb 0.85086254719259 0.28180956551717 0.83470480310949 85.468 > 20 43 Rb 0.35086254719259 0.21819043448283 0.33470480310949 85.468 > 21 44 Rb 0.14913745280741 0.71819043448283 0.16529519689051 85.468 > 22 *45 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 23 46 Sr 0.25000000000000 0.25000000000000 0.00000000000000 87.620 > 24 47 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 23 48 Sr 0.75000000000000 0.75000000000000 0.00000000000000 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.281540131647517 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770056880000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): *1 O 0.00000000000000 0.17161585608343 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.67161585608343 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.32838414391657 0.75000000000000 15.999 > 2 4 O 0.00000000000000 0.82838414391657 0.75000000000000 15.999 > 2 *5 O 0.11003337116023 0.20398379888319 0.43630823395231 15.999 > 3 6 O 0.11003337116023 0.70398379888319 0.43630823395231 15.999 > 3 7 O 0.88996662883976 0.20398379888319 0.06369176604769 15.999 > 4 8 O 0.88996662883976 0.70398379888319 0.06369176604769 15.999 > 4 9 O 0.88996662883976 0.29601620111681 0.56369176604769 15.999 > 5 10 O 0.88996662883976 0.79601620111681 0.56369176604769 15.999 > 5 11 O 0.11003337116023 0.29601620111681 0.93630823395231 15.999 > 6 12 O 0.11003337116023 0.79601620111681 0.93630823395231 15.999 > 6 *13 O 0.10059134483276 0.00070300931577 0.36546322760719 15.999 > 7 14 O 0.10059134483276 0.50070300931577 0.36546322760719 15.999 > 7 15 O 0.89940865516724 0.00070300931577 0.13453677239281 15.999 > 8 16 O 0.89940865516724 0.50070300931577 0.13453677239281 15.999 > 8 17 O 0.89940865516724 0.49929699068423 0.63453677239281 15.999 > 9 18 O 0.89940865516724 0.99929699068423 0.63453677239281 15.999 > 9 19 O 0.10059134483276 0.49929699068423 0.86546322760719 15.999 > 10 20 O 0.10059134483276 0.99929699068423 0.86546322760719 15.999 > 10 *21 O 0.38298673196053 0.15227413656968 0.87620054526685 15.999 > 11 22 O 0.38298673196053 0.65227413656968 0.87620054526685 15.999 > 11 23 O 0.11701326803947 0.40227413656968 0.62379945473315 15.999 > 12 24 O 0.11701326803947 0.90227413656968 0.62379945473315 15.999 > 12 25 O 0.61701326803947 0.34772586343032 0.12379945473315 15.999 > 13 26 O 0.61701326803947 0.84772586343032 0.12379945473315 15.999 > 13 27 O 0.88298673196053 0.09772586343032 0.37620054526685 15.999 > 14 28 O 0.88298673196053 0.59772586343032 0.37620054526685 15.999 > 14 29 O 0.50000000000000 0.42161585608343 0.25000000000000 15.999 > 1 30 O 0.50000000000000 0.92161585608343 0.25000000000000 15.999 > 1 31 O 0.50000000000000 0.07838414391657 0.75000000000000 15.999 > 2 32 O 0.50000000000000 0.57838414391657 0.75000000000000 15.999 > 2 33 O 0.61003337116024 0.45398379888319 0.43630823395231 15.999 > 3 34 O 0.61003337116024 0.95398379888319 0.43630823395231 15.999 > 3 35 O 0.38996662883977 0.45398379888319 0.06369176604769 15.999 > 4 36 O 0.38996662883977 0.95398379888319 0.06369176604769 15.999 > 4 37 O 0.38996662883977 0.04601620111681 0.56369176604769 15.999 > 5 38 O 0.38996662883977 0.54601620111681 0.56369176604769 15.999 > 5 39 O 0.61003337116024 0.04601620111681 0.93630823395231 15.999 > 6 40 O 0.61003337116024 0.54601620111681 0.93630823395231 15.999 > 6 41 O 0.60059134483276 0.25070300931577 0.36546322760719 15.999 > 7 42 O 0.60059134483276 0.75070300931577 0.36546322760719 15.999 > 7 43 O 0.39940865516724 0.25070300931577 0.13453677239281 15.999 > 8 44 O 0.39940865516724 0.75070300931577 0.13453677239281 15.999 > 8 45 O 0.39940865516724 0.24929699068423 0.63453677239281 15.999 > 9 46 O 0.39940865516724 0.74929699068423 0.63453677239281 15.999 > 9 47 O 0.60059134483276 0.24929699068423 0.86546322760719 15.999 > 10 48 O 0.60059134483276 0.74929699068423 0.86546322760719 15.999 > 10 49 O 0.88298673196053 0.40227413656968 0.87620054526685 15.999 > 11 50 O 0.88298673196053 0.90227413656968 0.87620054526685 15.999 > 11 51 O 0.61701326803947 0.15227413656968 0.62379945473315 15.999 > 12 52 O 0.61701326803947 0.65227413656968 0.62379945473315 15.999 > 12 53 O 0.11701326803947 0.09772586343032 0.12379945473315 15.999 > 13 54 O 0.11701326803947 0.59772586343032 0.12379945473315 15.999 > 13 55 O 0.38298673196053 0.34772586343032 0.37620054526685 15.999 > 14 56 O 0.38298673196053 0.84772586343032 0.37620054526685 15.999 > 14 *57 P 0.02615676266920 0.11319161749717 0.36515918799279 30.974 > 15 58 P 0.02615676266920 0.61319161749717 0.36515918799279 30.974 > 15 59 P 0.97384323733080 0.11319161749717 0.13484081200721 30.974 > 16 60 P 0.97384323733080 0.61319161749717 0.13484081200721 30.974 > 16 61 P 0.97384323733080 0.38680838250283 0.63484081200721 30.974 > 17 62 P 0.97384323733080 0.88680838250283 0.63484081200721 30.974 > 17 63 P 0.02615676266920 0.38680838250283 0.86515918799279 30.974 > 18 64 P 0.02615676266920 0.88680838250283 0.86515918799279 30.974 > 18 65 P 0.52615676266920 0.36319161749717 0.36515918799279 30.974 > 15 66 P 0.52615676266920 0.86319161749717 0.36515918799279 30.974 > 15 67 P 0.47384323733080 0.36319161749717 0.13484081200721 30.974 > 16 68 P 0.47384323733080 0.86319161749717 0.13484081200721 30.974 > 16 69 P 0.47384323733080 0.13680838250283 0.63484081200721 30.974 > 17 70 P 0.47384323733080 0.63680838250283 0.63484081200721 30.974 > 17 71 P 0.52615676266920 0.13680838250283 0.86515918799279 30.974 > 18 72 P 0.52615676266920 0.63680838250283 0.86515918799279 30.974 > 18 *73 Rb 0.14913745280741 0.14090478275859 0.66529519689051 85.468 > 19 74 Rb 0.14913745280741 0.64090478275859 0.66529519689051 85.468 > 19 75 Rb 0.35086254719259 0.39090478275859 0.83470480310949 85.468 > 20 76 Rb 0.35086254719259 0.89090478275859 0.83470480310949 85.468 > 20 77 Rb 0.85086254719259 0.35909521724141 0.33470480310949 85.468 > 21 78 Rb 0.85086254719259 0.85909521724141 0.33470480310949 85.468 > 21 79 Rb 0.64913745280741 0.10909521724141 0.16529519689051 85.468 > 22 80 Rb 0.64913745280741 0.60909521724141 0.16529519689051 85.468 > 22 81 Rb 0.64913745280741 0.39090478275859 0.66529519689051 85.468 > 19 82 Rb 0.64913745280741 0.89090478275859 0.66529519689051 85.468 > 19 83 Rb 0.85086254719259 0.14090478275859 0.83470480310949 85.468 > 20 84 Rb 0.85086254719259 0.64090478275859 0.83470480310949 85.468 > 20 85 Rb 0.35086254719259 0.10909521724141 0.33470480310949 85.468 > 21 86 Rb 0.35086254719259 0.60909521724141 0.33470480310949 85.468 > 21 87 Rb 0.14913745280741 0.35909521724141 0.16529519689051 85.468 > 22 88 Rb 0.14913745280741 0.85909521724141 0.16529519689051 85.468 > 22 *89 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 23 90 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 23 91 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 24 92 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 24 93 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 23 94 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 23 95 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 24 96 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6314539 0.0000000 0.0027663 0.0000000 2.6429122 0.0000000 0.0027655 0.0000000 2.5875306 -------------------------- Born effective charges -------------------------- 1 O -1.0214150 0.0000000 0.3369220 0.0000000 -1.2245541 0.0000000 0.2989006 0.0000000 -3.1616779 2 O -1.0214150 0.0000000 0.3369220 0.0000000 -1.2245541 0.0000000 0.2989006 0.0000000 -3.1616779 3 O -1.3936752 -0.3970541 -0.2818339 -0.3927637 -1.8738626 -0.5275499 -0.3361975 -0.6100827 -1.6175157 4 O -1.3936752 0.3970541 -0.2818339 0.3927637 -1.8738626 0.5275499 -0.3361975 0.6100827 -1.6175157 5 O -1.3936752 -0.3970541 -0.2818339 -0.3927637 -1.8738626 -0.5275499 -0.3361975 -0.6100827 -1.6175157 6 O -1.3936752 0.3970541 -0.2818339 0.3927637 -1.8738626 0.5275499 -0.3361975 0.6100827 -1.6175157 7 O -1.5540065 0.4514179 -0.1184374 0.4678227 -2.0040029 0.1785033 -0.1432292 0.2733184 -1.2904403 8 O -1.5540065 -0.4514179 -0.1184374 -0.4678227 -2.0040029 -0.1785033 -0.1432292 -0.2733184 -1.2904403 9 O -1.5540065 0.4514179 -0.1184374 0.4678227 -2.0040029 0.1785033 -0.1432292 0.2733184 -1.2904403 10 O -1.5540065 -0.4514179 -0.1184374 -0.4678227 -2.0040029 -0.1785033 -0.1432292 -0.2733184 -1.2904403 11 O -2.3809258 0.0703668 0.2809923 0.0857365 -1.2893774 0.0577842 0.3584330 -0.0012719 -1.3163870 12 O -2.3809258 -0.0703668 0.2809923 -0.0857365 -1.2893774 -0.0577842 0.3584330 0.0012719 -1.3163870 13 O -2.3809258 0.0703668 0.2809923 0.0857365 -1.2893774 0.0577842 0.3584330 -0.0012719 -1.3163870 14 O -2.3809258 -0.0703668 0.2809923 -0.0857365 -1.2893774 -0.0577842 0.3584330 0.0012719 -1.3163870 15 P 3.2133996 0.0357329 0.0017197 -0.0365533 3.0730388 0.3263846 -0.0447464 -0.2033201 3.3979303 16 P 3.2133996 -0.0357329 0.0017197 0.0365533 3.0730388 -0.3263846 -0.0447464 0.2033201 3.3979303 17 P 3.2133996 0.0357329 0.0017197 -0.0365533 3.0730388 0.3263846 -0.0447464 -0.2033201 3.3979303 18 P 3.2133996 -0.0357329 0.0017197 0.0365533 3.0730388 -0.3263846 -0.0447464 0.2033201 3.3979303 19 Rb 1.2632432 0.0547159 0.0135303 0.0491247 1.3098655 -0.0392354 -0.0005115 -0.0306985 1.1711336 20 Rb 1.2632432 -0.0547159 0.0135303 -0.0491247 1.3098655 0.0392354 -0.0005115 0.0306985 1.1711336 21 Rb 1.2632432 0.0547159 0.0135303 0.0491247 1.3098655 -0.0392354 -0.0005115 -0.0306985 1.1711336 22 Rb 1.2632432 -0.0547159 0.0135303 -0.0491247 1.3098655 0.0392354 -0.0005115 0.0306985 1.1711336 23 Sr 2.7253445 0.0302898 -0.1288640 0.0938000 2.7932313 -0.2516789 0.0336027 0.1094210 2.4722360 24 Sr 2.7253445 -0.0302898 -0.1288640 -0.0938000 2.7932313 0.2516789 0.0336027 -0.1094210 2.4722360 ---------------------------------------------------------------------------- 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: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 77 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 16), data: (582, 29) @ (29, 16) |-- (82, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.976 Solver_block: 200 / 720 - Time: 0.783 Solver_block: 300 / 720 - Time: 0.712 Solver_block: 400 / 720 - Time: 0.653 Solver_block: 500 / 720 - Time: 0.763 Solver_block: 600 / 720 - Time: 0.695 Solver_block: 700 / 720 - Time: 0.631 Solver_block: 720 / 720 - Time: 0.354 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.847 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 77 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 16), data: (582, 29) @ (29, 16) |-- (82, 77), data: True |-- (250, 239), data: True |-- (250, 237), 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 00:31:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:31:50]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.140770065823759 -2.942514220000000 0.000000000000000 b 5.140770065823759 2.942514220000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): 1 O 0.65676828783315 0.34323171216685 0.25000000000000 15.999 2 O 0.34323171216685 0.65676828783315 0.75000000000000 15.999 3 O 0.70206577339385 0.51800096892662 0.43630823395231 15.999 4 O 0.48199903107338 0.29793422660615 0.06369176604769 15.999 5 O 0.29793422660615 0.48199903107338 0.56369176604769 15.999 6 O 0.51800096892662 0.70206577339385 0.93630823395231 15.999 7 O 0.09918532620123 0.10199736346429 0.36546322760719 15.999 8 O 0.89800263653571 0.90081467379877 0.13453677239281 15.999 9 O 0.90081467379877 0.89800263653571 0.63453677239281 15.999 10 O 0.10199736346429 0.09918532620123 0.86546322760719 15.999 11 O 0.07843845882117 0.68753500509989 0.87620054526685 15.999 12 O 0.31246499490011 0.92156154117883 0.62379945473315 15.999 13 O 0.92156154117883 0.31246499490011 0.12379945473315 15.999 14 O 0.68753500509989 0.07843845882117 0.37620054526685 15.999 15 P 0.79977352767485 0.25253999766355 0.36515918799279 30.974 16 P 0.74746000233645 0.20022647232515 0.13484081200721 30.974 17 P 0.20022647232515 0.74746000233645 0.63484081200721 30.974 18 P 0.25253999766355 0.79977352767485 0.86515918799279 30.974 19 Rb 0.86732788729024 0.43094701832459 0.66529519689051 85.468 20 Rb 0.56905298167542 0.13267211270976 0.83470480310949 85.468 21 Rb 0.13267211270976 0.56905298167542 0.33470480310949 85.468 22 Rb 0.43094701832458 0.86732788729024 0.16529519689051 85.468 23 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 24 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.281540131647517 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770056880000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): 1 O 0.00000000000000 0.17161585608343 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.67161585608343 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.32838414391657 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.82838414391657 0.75000000000000 15.999 > 3 5 O 0.11003337116023 0.20398379888319 0.43630823395231 15.999 > 5 6 O 0.11003337116023 0.70398379888319 0.43630823395231 15.999 > 5 7 O 0.88996662883976 0.20398379888319 0.06369176604769 15.999 > 7 8 O 0.88996662883976 0.70398379888319 0.06369176604769 15.999 > 7 9 O 0.88996662883976 0.29601620111681 0.56369176604769 15.999 > 9 10 O 0.88996662883976 0.79601620111681 0.56369176604769 15.999 > 9 11 O 0.11003337116023 0.29601620111681 0.93630823395231 15.999 > 11 12 O 0.11003337116023 0.79601620111681 0.93630823395231 15.999 > 11 13 O 0.10059134483276 0.00070300931577 0.36546322760719 15.999 > 13 14 O 0.10059134483276 0.50070300931577 0.36546322760719 15.999 > 13 15 O 0.89940865516724 0.00070300931577 0.13453677239281 15.999 > 15 16 O 0.89940865516724 0.50070300931577 0.13453677239281 15.999 > 15 17 O 0.89940865516724 0.49929699068423 0.63453677239281 15.999 > 17 18 O 0.89940865516724 0.99929699068423 0.63453677239281 15.999 > 17 19 O 0.10059134483276 0.49929699068423 0.86546322760719 15.999 > 19 20 O 0.10059134483276 0.99929699068423 0.86546322760719 15.999 > 19 21 O 0.38298673196053 0.15227413656968 0.87620054526685 15.999 > 21 22 O 0.38298673196053 0.65227413656968 0.87620054526685 15.999 > 21 23 O 0.11701326803947 0.40227413656968 0.62379945473315 15.999 > 23 24 O 0.11701326803947 0.90227413656968 0.62379945473315 15.999 > 23 25 O 0.61701326803947 0.34772586343032 0.12379945473315 15.999 > 25 26 O 0.61701326803947 0.84772586343032 0.12379945473315 15.999 > 25 27 O 0.88298673196053 0.09772586343032 0.37620054526685 15.999 > 27 28 O 0.88298673196053 0.59772586343032 0.37620054526685 15.999 > 27 29 O 0.50000000000000 0.42161585608343 0.25000000000000 15.999 > 1 30 O 0.50000000000000 0.92161585608343 0.25000000000000 15.999 > 1 31 O 0.50000000000000 0.07838414391657 0.75000000000000 15.999 > 3 32 O 0.50000000000000 0.57838414391657 0.75000000000000 15.999 > 3 33 O 0.61003337116024 0.45398379888319 0.43630823395231 15.999 > 5 34 O 0.61003337116024 0.95398379888319 0.43630823395231 15.999 > 5 35 O 0.38996662883977 0.45398379888319 0.06369176604769 15.999 > 7 36 O 0.38996662883977 0.95398379888319 0.06369176604769 15.999 > 7 37 O 0.38996662883977 0.04601620111681 0.56369176604769 15.999 > 9 38 O 0.38996662883977 0.54601620111681 0.56369176604769 15.999 > 9 39 O 0.61003337116024 0.04601620111681 0.93630823395231 15.999 > 11 40 O 0.61003337116024 0.54601620111681 0.93630823395231 15.999 > 11 41 O 0.60059134483276 0.25070300931577 0.36546322760719 15.999 > 13 42 O 0.60059134483276 0.75070300931577 0.36546322760719 15.999 > 13 43 O 0.39940865516724 0.25070300931577 0.13453677239281 15.999 > 15 44 O 0.39940865516724 0.75070300931577 0.13453677239281 15.999 > 15 45 O 0.39940865516724 0.24929699068423 0.63453677239281 15.999 > 17 46 O 0.39940865516724 0.74929699068423 0.63453677239281 15.999 > 17 47 O 0.60059134483276 0.24929699068423 0.86546322760719 15.999 > 19 48 O 0.60059134483276 0.74929699068423 0.86546322760719 15.999 > 19 49 O 0.88298673196053 0.40227413656968 0.87620054526685 15.999 > 21 50 O 0.88298673196053 0.90227413656968 0.87620054526685 15.999 > 21 51 O 0.61701326803947 0.15227413656968 0.62379945473315 15.999 > 23 52 O 0.61701326803947 0.65227413656968 0.62379945473315 15.999 > 23 53 O 0.11701326803947 0.09772586343032 0.12379945473315 15.999 > 25 54 O 0.11701326803947 0.59772586343032 0.12379945473315 15.999 > 25 55 O 0.38298673196053 0.34772586343032 0.37620054526685 15.999 > 27 56 O 0.38298673196053 0.84772586343032 0.37620054526685 15.999 > 27 57 P 0.02615676266920 0.11319161749717 0.36515918799279 30.974 > 57 58 P 0.02615676266920 0.61319161749717 0.36515918799279 30.974 > 57 59 P 0.97384323733080 0.11319161749717 0.13484081200721 30.974 > 59 60 P 0.97384323733080 0.61319161749717 0.13484081200721 30.974 > 59 61 P 0.97384323733080 0.38680838250283 0.63484081200721 30.974 > 61 62 P 0.97384323733080 0.88680838250283 0.63484081200721 30.974 > 61 63 P 0.02615676266920 0.38680838250283 0.86515918799279 30.974 > 63 64 P 0.02615676266920 0.88680838250283 0.86515918799279 30.974 > 63 65 P 0.52615676266920 0.36319161749717 0.36515918799279 30.974 > 57 66 P 0.52615676266920 0.86319161749717 0.36515918799279 30.974 > 57 67 P 0.47384323733080 0.36319161749717 0.13484081200721 30.974 > 59 68 P 0.47384323733080 0.86319161749717 0.13484081200721 30.974 > 59 69 P 0.47384323733080 0.13680838250283 0.63484081200721 30.974 > 61 70 P 0.47384323733080 0.63680838250283 0.63484081200721 30.974 > 61 71 P 0.52615676266920 0.13680838250283 0.86515918799279 30.974 > 63 72 P 0.52615676266920 0.63680838250283 0.86515918799279 30.974 > 63 73 Rb 0.14913745280741 0.14090478275859 0.66529519689051 85.468 > 73 74 Rb 0.14913745280741 0.64090478275859 0.66529519689051 85.468 > 73 75 Rb 0.35086254719259 0.39090478275859 0.83470480310949 85.468 > 75 76 Rb 0.35086254719259 0.89090478275859 0.83470480310949 85.468 > 75 77 Rb 0.85086254719259 0.35909521724141 0.33470480310949 85.468 > 77 78 Rb 0.85086254719259 0.85909521724141 0.33470480310949 85.468 > 77 79 Rb 0.64913745280741 0.10909521724141 0.16529519689051 85.468 > 79 80 Rb 0.64913745280741 0.60909521724141 0.16529519689051 85.468 > 79 81 Rb 0.64913745280741 0.39090478275859 0.66529519689051 85.468 > 73 82 Rb 0.64913745280741 0.89090478275859 0.66529519689051 85.468 > 73 83 Rb 0.85086254719259 0.14090478275859 0.83470480310949 85.468 > 75 84 Rb 0.85086254719259 0.64090478275859 0.83470480310949 85.468 > 75 85 Rb 0.35086254719259 0.10909521724141 0.33470480310949 85.468 > 77 86 Rb 0.35086254719259 0.60909521724141 0.33470480310949 85.468 > 77 87 Rb 0.14913745280741 0.35909521724141 0.16529519689051 85.468 > 79 88 Rb 0.14913745280741 0.85909521724141 0.16529519689051 85.468 > 79 89 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 89 90 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 89 91 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 91 92 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 91 93 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 89 94 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 89 95 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 91 96 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6314539 0.0000000 0.0027663 0.0000000 2.6429122 0.0000000 0.0027655 0.0000000 2.5875306 -------------------------- Born effective charges -------------------------- 1 O -1.0214150 0.0000000 0.3369220 0.0000000 -1.2245541 0.0000000 0.2989006 0.0000000 -3.1616779 2 O -1.0214150 0.0000000 0.3369220 0.0000000 -1.2245541 0.0000000 0.2989006 0.0000000 -3.1616779 3 O -1.3936752 -0.3970541 -0.2818339 -0.3927637 -1.8738626 -0.5275499 -0.3361975 -0.6100827 -1.6175157 4 O -1.3936752 0.3970541 -0.2818339 0.3927637 -1.8738626 0.5275499 -0.3361975 0.6100827 -1.6175157 5 O -1.3936752 -0.3970541 -0.2818339 -0.3927637 -1.8738626 -0.5275499 -0.3361975 -0.6100827 -1.6175157 6 O -1.3936752 0.3970541 -0.2818339 0.3927637 -1.8738626 0.5275499 -0.3361975 0.6100827 -1.6175157 7 O -1.5540065 0.4514179 -0.1184374 0.4678227 -2.0040029 0.1785033 -0.1432292 0.2733184 -1.2904403 8 O -1.5540065 -0.4514179 -0.1184374 -0.4678227 -2.0040029 -0.1785033 -0.1432292 -0.2733184 -1.2904403 9 O -1.5540065 0.4514179 -0.1184374 0.4678227 -2.0040029 0.1785033 -0.1432292 0.2733184 -1.2904403 10 O -1.5540065 -0.4514179 -0.1184374 -0.4678227 -2.0040029 -0.1785033 -0.1432292 -0.2733184 -1.2904403 11 O -2.3809258 0.0703668 0.2809923 0.0857365 -1.2893774 0.0577842 0.3584330 -0.0012719 -1.3163870 12 O -2.3809258 -0.0703668 0.2809923 -0.0857365 -1.2893774 -0.0577842 0.3584330 0.0012719 -1.3163870 13 O -2.3809258 0.0703668 0.2809923 0.0857365 -1.2893774 0.0577842 0.3584330 -0.0012719 -1.3163870 14 O -2.3809258 -0.0703668 0.2809923 -0.0857365 -1.2893774 -0.0577842 0.3584330 0.0012719 -1.3163870 15 P 3.2133996 0.0357329 0.0017197 -0.0365533 3.0730388 0.3263846 -0.0447464 -0.2033201 3.3979303 16 P 3.2133996 -0.0357329 0.0017197 0.0365533 3.0730388 -0.3263846 -0.0447464 0.2033201 3.3979303 17 P 3.2133996 0.0357329 0.0017197 -0.0365533 3.0730388 0.3263846 -0.0447464 -0.2033201 3.3979303 18 P 3.2133996 -0.0357329 0.0017197 0.0365533 3.0730388 -0.3263846 -0.0447464 0.2033201 3.3979303 19 Rb 1.2632432 0.0547159 0.0135303 0.0491247 1.3098655 -0.0392354 -0.0005115 -0.0306985 1.1711336 20 Rb 1.2632432 -0.0547159 0.0135303 -0.0491247 1.3098655 0.0392354 -0.0005115 0.0306985 1.1711336 21 Rb 1.2632432 0.0547159 0.0135303 0.0491247 1.3098655 -0.0392354 -0.0005115 -0.0306985 1.1711336 22 Rb 1.2632432 -0.0547159 0.0135303 -0.0491247 1.3098655 0.0392354 -0.0005115 0.0306985 1.1711336 23 Sr 2.7253445 0.0302898 -0.1288640 0.0938000 2.7932313 -0.2516789 0.0336027 0.1094210 2.4722360 24 Sr 2.7253445 -0.0302898 -0.1288640 -0.0938000 2.7932313 0.2516789 0.0336027 -0.1094210 2.4722360 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 5, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] 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] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0096] [ 0.0030 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 00:32:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:32:17]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.140770065823759 -2.942514220000000 0.000000000000000 b 5.140770065823759 2.942514220000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): 1 O 0.65676828783315 0.34323171216685 0.25000000000000 15.999 2 O 0.34323171216685 0.65676828783315 0.75000000000000 15.999 3 O 0.70206577339385 0.51800096892662 0.43630823395231 15.999 4 O 0.48199903107338 0.29793422660615 0.06369176604769 15.999 5 O 0.29793422660615 0.48199903107338 0.56369176604769 15.999 6 O 0.51800096892662 0.70206577339385 0.93630823395231 15.999 7 O 0.09918532620123 0.10199736346429 0.36546322760719 15.999 8 O 0.89800263653571 0.90081467379877 0.13453677239281 15.999 9 O 0.90081467379877 0.89800263653571 0.63453677239281 15.999 10 O 0.10199736346429 0.09918532620123 0.86546322760719 15.999 11 O 0.07843845882117 0.68753500509989 0.87620054526685 15.999 12 O 0.31246499490011 0.92156154117883 0.62379945473315 15.999 13 O 0.92156154117883 0.31246499490011 0.12379945473315 15.999 14 O 0.68753500509989 0.07843845882117 0.37620054526685 15.999 15 P 0.79977352767485 0.25253999766355 0.36515918799279 30.974 16 P 0.74746000233645 0.20022647232515 0.13484081200721 30.974 17 P 0.20022647232515 0.74746000233645 0.63484081200721 30.974 18 P 0.25253999766355 0.79977352767485 0.86515918799279 30.974 19 Rb 0.86732788729024 0.43094701832459 0.66529519689051 85.468 20 Rb 0.56905298167542 0.13267211270976 0.83470480310949 85.468 21 Rb 0.13267211270976 0.56905298167542 0.33470480310949 85.468 22 Rb 0.43094701832458 0.86732788729024 0.16529519689051 85.468 23 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 24 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.281540131647517 0.000000000000000 0.000000000000000 b 0.000000000000000 11.770056880000000 0.000000000000000 c -3.981519079306240 0.000000000000000 12.891380659169380 Atomic positions (fractional): 1 O 0.00000000000000 0.17161585608343 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.67161585608343 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.32838414391657 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.82838414391657 0.75000000000000 15.999 > 3 5 O 0.11003337116023 0.20398379888319 0.43630823395231 15.999 > 5 6 O 0.11003337116023 0.70398379888319 0.43630823395231 15.999 > 5 7 O 0.88996662883976 0.20398379888319 0.06369176604769 15.999 > 7 8 O 0.88996662883976 0.70398379888319 0.06369176604769 15.999 > 7 9 O 0.88996662883976 0.29601620111681 0.56369176604769 15.999 > 9 10 O 0.88996662883976 0.79601620111681 0.56369176604769 15.999 > 9 11 O 0.11003337116023 0.29601620111681 0.93630823395231 15.999 > 11 12 O 0.11003337116023 0.79601620111681 0.93630823395231 15.999 > 11 13 O 0.10059134483276 0.00070300931577 0.36546322760719 15.999 > 13 14 O 0.10059134483276 0.50070300931577 0.36546322760719 15.999 > 13 15 O 0.89940865516724 0.00070300931577 0.13453677239281 15.999 > 15 16 O 0.89940865516724 0.50070300931577 0.13453677239281 15.999 > 15 17 O 0.89940865516724 0.49929699068423 0.63453677239281 15.999 > 17 18 O 0.89940865516724 0.99929699068423 0.63453677239281 15.999 > 17 19 O 0.10059134483276 0.49929699068423 0.86546322760719 15.999 > 19 20 O 0.10059134483276 0.99929699068423 0.86546322760719 15.999 > 19 21 O 0.38298673196053 0.15227413656968 0.87620054526685 15.999 > 21 22 O 0.38298673196053 0.65227413656968 0.87620054526685 15.999 > 21 23 O 0.11701326803947 0.40227413656968 0.62379945473315 15.999 > 23 24 O 0.11701326803947 0.90227413656968 0.62379945473315 15.999 > 23 25 O 0.61701326803947 0.34772586343032 0.12379945473315 15.999 > 25 26 O 0.61701326803947 0.84772586343032 0.12379945473315 15.999 > 25 27 O 0.88298673196053 0.09772586343032 0.37620054526685 15.999 > 27 28 O 0.88298673196053 0.59772586343032 0.37620054526685 15.999 > 27 29 O 0.50000000000000 0.42161585608343 0.25000000000000 15.999 > 1 30 O 0.50000000000000 0.92161585608343 0.25000000000000 15.999 > 1 31 O 0.50000000000000 0.07838414391657 0.75000000000000 15.999 > 3 32 O 0.50000000000000 0.57838414391657 0.75000000000000 15.999 > 3 33 O 0.61003337116024 0.45398379888319 0.43630823395231 15.999 > 5 34 O 0.61003337116024 0.95398379888319 0.43630823395231 15.999 > 5 35 O 0.38996662883977 0.45398379888319 0.06369176604769 15.999 > 7 36 O 0.38996662883977 0.95398379888319 0.06369176604769 15.999 > 7 37 O 0.38996662883977 0.04601620111681 0.56369176604769 15.999 > 9 38 O 0.38996662883977 0.54601620111681 0.56369176604769 15.999 > 9 39 O 0.61003337116024 0.04601620111681 0.93630823395231 15.999 > 11 40 O 0.61003337116024 0.54601620111681 0.93630823395231 15.999 > 11 41 O 0.60059134483276 0.25070300931577 0.36546322760719 15.999 > 13 42 O 0.60059134483276 0.75070300931577 0.36546322760719 15.999 > 13 43 O 0.39940865516724 0.25070300931577 0.13453677239281 15.999 > 15 44 O 0.39940865516724 0.75070300931577 0.13453677239281 15.999 > 15 45 O 0.39940865516724 0.24929699068423 0.63453677239281 15.999 > 17 46 O 0.39940865516724 0.74929699068423 0.63453677239281 15.999 > 17 47 O 0.60059134483276 0.24929699068423 0.86546322760719 15.999 > 19 48 O 0.60059134483276 0.74929699068423 0.86546322760719 15.999 > 19 49 O 0.88298673196053 0.40227413656968 0.87620054526685 15.999 > 21 50 O 0.88298673196053 0.90227413656968 0.87620054526685 15.999 > 21 51 O 0.61701326803947 0.15227413656968 0.62379945473315 15.999 > 23 52 O 0.61701326803947 0.65227413656968 0.62379945473315 15.999 > 23 53 O 0.11701326803947 0.09772586343032 0.12379945473315 15.999 > 25 54 O 0.11701326803947 0.59772586343032 0.12379945473315 15.999 > 25 55 O 0.38298673196053 0.34772586343032 0.37620054526685 15.999 > 27 56 O 0.38298673196053 0.84772586343032 0.37620054526685 15.999 > 27 57 P 0.02615676266920 0.11319161749717 0.36515918799279 30.974 > 57 58 P 0.02615676266920 0.61319161749717 0.36515918799279 30.974 > 57 59 P 0.97384323733080 0.11319161749717 0.13484081200721 30.974 > 59 60 P 0.97384323733080 0.61319161749717 0.13484081200721 30.974 > 59 61 P 0.97384323733080 0.38680838250283 0.63484081200721 30.974 > 61 62 P 0.97384323733080 0.88680838250283 0.63484081200721 30.974 > 61 63 P 0.02615676266920 0.38680838250283 0.86515918799279 30.974 > 63 64 P 0.02615676266920 0.88680838250283 0.86515918799279 30.974 > 63 65 P 0.52615676266920 0.36319161749717 0.36515918799279 30.974 > 57 66 P 0.52615676266920 0.86319161749717 0.36515918799279 30.974 > 57 67 P 0.47384323733080 0.36319161749717 0.13484081200721 30.974 > 59 68 P 0.47384323733080 0.86319161749717 0.13484081200721 30.974 > 59 69 P 0.47384323733080 0.13680838250283 0.63484081200721 30.974 > 61 70 P 0.47384323733080 0.63680838250283 0.63484081200721 30.974 > 61 71 P 0.52615676266920 0.13680838250283 0.86515918799279 30.974 > 63 72 P 0.52615676266920 0.63680838250283 0.86515918799279 30.974 > 63 73 Rb 0.14913745280741 0.14090478275859 0.66529519689051 85.468 > 73 74 Rb 0.14913745280741 0.64090478275859 0.66529519689051 85.468 > 73 75 Rb 0.35086254719259 0.39090478275859 0.83470480310949 85.468 > 75 76 Rb 0.35086254719259 0.89090478275859 0.83470480310949 85.468 > 75 77 Rb 0.85086254719259 0.35909521724141 0.33470480310949 85.468 > 77 78 Rb 0.85086254719259 0.85909521724141 0.33470480310949 85.468 > 77 79 Rb 0.64913745280741 0.10909521724141 0.16529519689051 85.468 > 79 80 Rb 0.64913745280741 0.60909521724141 0.16529519689051 85.468 > 79 81 Rb 0.64913745280741 0.39090478275859 0.66529519689051 85.468 > 73 82 Rb 0.64913745280741 0.89090478275859 0.66529519689051 85.468 > 73 83 Rb 0.85086254719259 0.14090478275859 0.83470480310949 85.468 > 75 84 Rb 0.85086254719259 0.64090478275859 0.83470480310949 85.468 > 75 85 Rb 0.35086254719259 0.10909521724141 0.33470480310949 85.468 > 77 86 Rb 0.35086254719259 0.60909521724141 0.33470480310949 85.468 > 77 87 Rb 0.14913745280741 0.35909521724141 0.16529519689051 85.468 > 79 88 Rb 0.14913745280741 0.85909521724141 0.16529519689051 85.468 > 79 89 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 89 90 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 89 91 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 91 92 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 91 93 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 89 94 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 89 95 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 91 96 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6314539 0.0000000 0.0027663 0.0000000 2.6429122 0.0000000 0.0027655 0.0000000 2.5875306 -------------------------- Born effective charges -------------------------- 1 O -1.0214150 0.0000000 0.3369220 0.0000000 -1.2245541 0.0000000 0.2989006 0.0000000 -3.1616779 2 O -1.0214150 0.0000000 0.3369220 0.0000000 -1.2245541 0.0000000 0.2989006 0.0000000 -3.1616779 3 O -1.3936752 -0.3970541 -0.2818339 -0.3927637 -1.8738626 -0.5275499 -0.3361975 -0.6100827 -1.6175157 4 O -1.3936752 0.3970541 -0.2818339 0.3927637 -1.8738626 0.5275499 -0.3361975 0.6100827 -1.6175157 5 O -1.3936752 -0.3970541 -0.2818339 -0.3927637 -1.8738626 -0.5275499 -0.3361975 -0.6100827 -1.6175157 6 O -1.3936752 0.3970541 -0.2818339 0.3927637 -1.8738626 0.5275499 -0.3361975 0.6100827 -1.6175157 7 O -1.5540065 0.4514179 -0.1184374 0.4678227 -2.0040029 0.1785033 -0.1432292 0.2733184 -1.2904403 8 O -1.5540065 -0.4514179 -0.1184374 -0.4678227 -2.0040029 -0.1785033 -0.1432292 -0.2733184 -1.2904403 9 O -1.5540065 0.4514179 -0.1184374 0.4678227 -2.0040029 0.1785033 -0.1432292 0.2733184 -1.2904403 10 O -1.5540065 -0.4514179 -0.1184374 -0.4678227 -2.0040029 -0.1785033 -0.1432292 -0.2733184 -1.2904403 11 O -2.3809258 0.0703668 0.2809923 0.0857365 -1.2893774 0.0577842 0.3584330 -0.0012719 -1.3163870 12 O -2.3809258 -0.0703668 0.2809923 -0.0857365 -1.2893774 -0.0577842 0.3584330 0.0012719 -1.3163870 13 O -2.3809258 0.0703668 0.2809923 0.0857365 -1.2893774 0.0577842 0.3584330 -0.0012719 -1.3163870 14 O -2.3809258 -0.0703668 0.2809923 -0.0857365 -1.2893774 -0.0577842 0.3584330 0.0012719 -1.3163870 15 P 3.2133996 0.0357329 0.0017197 -0.0365533 3.0730388 0.3263846 -0.0447464 -0.2033201 3.3979303 16 P 3.2133996 -0.0357329 0.0017197 0.0365533 3.0730388 -0.3263846 -0.0447464 0.2033201 3.3979303 17 P 3.2133996 0.0357329 0.0017197 -0.0365533 3.0730388 0.3263846 -0.0447464 -0.2033201 3.3979303 18 P 3.2133996 -0.0357329 0.0017197 0.0365533 3.0730388 -0.3263846 -0.0447464 0.2033201 3.3979303 19 Rb 1.2632432 0.0547159 0.0135303 0.0491247 1.3098655 -0.0392354 -0.0005115 -0.0306985 1.1711336 20 Rb 1.2632432 -0.0547159 0.0135303 -0.0491247 1.3098655 0.0392354 -0.0005115 0.0306985 1.1711336 21 Rb 1.2632432 0.0547159 0.0135303 0.0491247 1.3098655 -0.0392354 -0.0005115 -0.0306985 1.1711336 22 Rb 1.2632432 -0.0547159 0.0135303 -0.0491247 1.3098655 0.0392354 -0.0005115 0.0306985 1.1711336 23 Sr 2.7253445 0.0302898 -0.1288640 0.0938000 2.7932313 -0.2516789 0.0336027 0.1094210 2.4722360 24 Sr 2.7253445 -0.0302898 -0.1288640 -0.0938000 2.7932313 0.2516789 0.0336027 -0.1094210 2.4722360 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 ... [ 10 10 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: 0.57, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 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 1.203 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.921 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 9.296 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 11.508 ( 0.000 0.000 0.000) 0.000 11.802 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.657 ( 0.000 0.000 0.000) 0.000 14.813 ( 0.000 0.000 0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 14.869 ( 0.000 0.000 0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000 15.951 ( 0.000 0.000 0.000) 0.000 16.180 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.408 ( 0.000 0.000 0.000) 0.000 20.438 ( 0.000 0.000 0.000) 0.000 20.458 ( 0.000 0.000 0.000) 0.000 25.663 ( 0.000 0.000 0.000) 0.000 27.771 ( 0.000 0.000 0.000) 0.000 28.480 ( 0.000 0.000 0.000) 0.000 28.616 ( 0.000 0.000 0.000) 0.000 29.611 ( 0.000 0.000 0.000) 0.000 29.696 ( 0.000 0.000 0.000) 0.000 31.831 ( 0.000 0.000 0.000) 0.000 31.835 ( 0.000 0.000 0.000) 0.000 31.883 ( 0.000 0.000 0.000) 0.000 31.884 ( 0.000 0.000 0.000) 0.000 32.491 ( 0.000 0.000 0.000) 0.000 32.821 ( 0.000 0.000 0.000) 0.000 32.952 ( 0.000 0.000 0.000) 0.000 33.009 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 6.546 -19.153 0.918) 20.262 0.513 ( 16.025 -21.328 -8.034) 27.861 0.936 ( 16.756 -38.920 7.259) 42.990 1.259 ( 4.479 -4.696 -2.297) 6.884 1.323 ( 2.720 -7.158 2.498) 8.055 1.683 ( 1.190 -14.170 3.048) 14.543 1.746 ( -2.013 -5.048 2.385) 5.935 1.791 ( 2.933 1.133 -0.395) 3.169 1.830 ( -0.659 0.237 -2.159) 2.270 1.892 ( 0.790 3.893 0.839) 4.059 2.059 ( 3.353 -1.125 0.901) 3.649 2.296 ( 3.638 1.293 3.107) 4.956 2.386 ( 2.654 -0.506 -4.559) 5.299 2.556 ( -1.348 2.880 -2.934) 4.327 2.695 ( -1.519 -7.600 -1.126) 7.832 2.810 ( 0.814 -5.005 1.914) 5.420 2.969 ( 6.452 3.722 -1.790) 7.661 3.096 ( 5.739 1.721 3.303) 6.841 3.191 ( -0.440 2.137 -2.594) 3.390 3.526 ( -2.908 2.373 -0.505) 3.787 3.547 ( -2.607 -4.491 5.977) 7.918 3.592 ( -2.887 1.509 9.911) 10.432 3.801 ( 4.450 0.838 -11.805) 12.644 3.889 ( 1.902 1.160 1.186) 2.524 3.904 ( 2.913 1.205 -1.808) 3.634 4.326 ( 1.437 -4.243 -2.451) 5.107 4.612 ( 0.773 6.610 0.171) 6.658 4.809 ( -2.231 2.629 -1.630) 3.814 4.963 ( 1.727 -8.407 -0.664) 8.609 5.106 ( -0.864 -9.625 7.355) 12.144 5.238 ( 5.065 7.699 6.772) 11.436 5.385 ( 6.346 -1.802 -4.600) 8.042 5.717 ( -11.049 -2.703 9.038) 14.528 6.319 ( -1.302 4.084 -0.903) 4.381 6.439 ( 0.775 7.267 -1.655) 7.493 7.126 ( -9.416 -1.056 -21.626) 23.611 9.278 ( -0.974 1.369 -0.084) 1.682 9.471 ( 1.195 -0.967 1.735) 2.318 9.564 ( -3.910 4.831 -1.594) 6.416 9.613 ( -0.993 1.885 1.650) 2.694 9.922 ( 3.242 -0.649 -1.530) 3.643 10.032 ( -0.119 -0.462 1.409) 1.487 11.547 ( 5.474 2.329 0.242) 5.954 11.796 ( -0.148 0.412 -0.823) 0.932 13.166 ( -7.393 -5.196 -2.909) 9.493 13.191 ( -0.140 -1.016 -0.623) 1.200 14.623 ( -0.655 -0.437 2.264) 2.397 14.665 ( 0.888 -0.351 0.904) 1.315 14.797 ( -1.669 0.417 -1.018) 1.999 14.866 ( 1.156 -2.131 0.214) 2.434 14.900 ( -0.070 -0.436 10.079) 10.089 15.878 ( 1.072 1.699 2.168) 2.956 16.025 ( 9.501 5.413 4.516) 11.831 16.157 ( -2.975 0.588 -1.735) 3.494 17.334 ( -0.128 0.073 0.098) 0.177 17.437 ( -1.437 -1.339 0.255) 1.981 20.430 ( -1.811 1.567 -0.227) 2.406 20.628 ( -8.166 -6.152 -2.981) 10.650 25.664 ( -2.710 1.583 13.058) 13.430 27.504 ( -12.062 22.541 1.978) 25.642 28.486 ( 0.142 -0.505 -0.333) 0.621 28.584 ( -1.530 1.841 0.530) 2.452 29.661 ( -2.867 -0.670 -1.216) 3.186 29.703 ( -1.198 -0.827 0.659) 1.598 31.822 ( -0.547 0.330 0.882) 1.089 31.839 ( 1.149 -0.183 -0.943) 1.498 31.938 ( 8.467 0.556 -0.653) 8.510 32.169 ( 34.196 14.725 -1.178) 37.250 32.626 ( 2.823 -7.396 4.309) 9.013 32.868 ( 1.354 -6.639 -2.143) 7.107 32.984 ( 0.027 -4.013 2.191) 4.572 34.742 ( -18.291 -9.965 -12.922) 24.513 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 7.354 -18.584 0.249) 19.988 0.973 ( 15.834 -16.567 -7.646) 24.159 1.304 ( -3.009 -7.128 2.175) 8.037 1.480 ( 0.849 -6.590 2.013) 6.943 1.600 ( 7.019 -7.513 2.599) 10.606 1.774 ( 3.312 -0.445 0.269) 3.353 1.802 ( -2.327 -4.001 0.981) 4.731 1.863 ( 4.084 -0.291 0.134) 4.097 1.971 ( 4.824 -19.474 2.340) 20.199 2.098 ( 4.646 -17.800 1.123) 18.431 2.127 ( 5.785 -3.698 2.005) 7.153 2.342 ( 3.236 -4.380 0.451) 5.465 2.450 ( 5.741 -3.980 -6.372) 9.455 2.520 ( 1.230 -1.281 -3.597) 4.012 2.793 ( -0.382 -1.485 4.997) 5.227 2.857 ( -0.056 -3.584 -3.595) 5.077 2.983 ( -1.642 -0.769 -1.078) 2.109 3.120 ( 4.618 1.836 -0.356) 4.982 3.174 ( 0.933 -2.018 -2.002) 2.992 3.415 ( -6.167 3.426 2.384) 7.447 3.552 ( -3.197 3.550 10.927) 11.925 3.628 ( -2.682 -4.329 7.769) 9.289 3.779 ( 6.255 4.054 -5.924) 9.521 3.853 ( -0.058 1.612 -1.313) 2.080 4.026 ( 12.789 -5.339 -7.091) 15.567 4.435 ( 3.113 -6.784 -3.436) 8.217 4.538 ( 0.759 3.937 3.452) 5.290 4.769 ( -0.070 0.095 -2.152) 2.156 5.023 ( -1.461 4.072 3.992) 5.886 5.210 ( 1.843 -0.401 0.409) 1.930 5.262 ( 2.773 -4.434 7.149) 8.858 5.479 ( 5.892 -2.012 -3.364) 7.076 5.682 ( -9.719 -3.248 6.497) 12.133 6.186 ( -2.184 9.506 -5.907) 11.403 6.289 ( -1.295 7.745 3.633) 8.652 6.948 ( -9.090 3.836 -17.861) 20.405 9.238 ( -1.190 1.886 -0.395) 2.265 9.403 ( -4.701 6.649 -0.648) 8.169 9.510 ( -0.577 -0.791 1.004) 1.403 9.581 ( -0.238 1.227 1.691) 2.102 9.947 ( 2.918 1.008 -2.596) 4.034 10.066 ( 2.226 -1.819 3.066) 4.203 11.565 ( 3.090 0.793 1.325) 3.454 11.782 ( -0.313 0.557 -1.411) 1.549 13.179 ( -3.650 -3.296 -1.218) 5.067 13.206 ( -0.460 -1.267 -0.328) 1.388 14.636 ( 0.154 -1.341 -0.877) 1.609 14.690 ( 1.388 -0.704 1.516) 2.172 14.769 ( -1.862 0.243 -1.192) 2.224 14.921 ( 1.007 -2.708 -0.300) 2.905 14.950 ( 0.669 -1.665 8.770) 8.952 15.848 ( 0.611 4.211 3.007) 5.210 16.041 ( 5.316 2.439 1.738) 6.102 16.102 ( -3.986 0.452 -2.906) 4.954 17.335 ( 0.003 -0.255 -0.104) 0.276 17.444 ( -1.341 -0.837 0.405) 1.631 20.392 ( -1.476 0.592 -0.008) 1.591 20.641 ( -3.739 -3.058 -2.256) 5.331 25.646 ( -1.562 1.514 7.363) 7.678 26.912 ( -14.950 28.193 0.052) 31.912 28.493 ( 0.070 -0.299 -0.560) 0.639 28.549 ( -1.175 0.888 0.722) 1.640 29.643 ( -1.042 -0.072 -1.409) 1.754 29.697 ( -1.636 0.196 1.225) 2.053 31.820 ( 1.073 0.636 0.439) 1.322 31.862 ( 3.006 -0.235 -0.326) 3.033 32.007 ( 7.686 0.349 -0.478) 7.709 32.231 ( 19.109 8.503 0.110) 20.916 32.727 ( -0.788 -2.745 0.982) 3.020 32.991 ( 0.449 -5.748 -8.821) 10.538 33.219 ( 4.570 -18.012 12.892) 22.617 34.671 ( -11.241 -2.667 -9.951) 15.248 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 6.640 -14.232 0.090) 15.705 1.251 ( 5.698 -4.443 -2.115) 7.529 1.490 ( 1.706 -10.328 -2.125) 10.681 1.507 ( 1.656 -3.806 0.425) 4.173 1.681 ( -2.276 -0.801 0.856) 2.561 1.819 ( 6.850 -2.726 -1.856) 7.602 1.911 ( 1.876 -6.049 -1.036) 6.417 1.938 ( 1.349 -3.576 1.071) 3.969 2.154 ( 0.825 -0.509 5.653) 5.735 2.196 ( 0.421 -4.286 0.566) 4.344 2.391 ( 3.933 -4.026 1.173) 5.749 2.516 ( -1.401 -9.784 -6.469) 11.813 2.581 ( 6.015 -5.277 -5.048) 9.461 2.678 ( 2.796 -5.796 2.067) 6.759 2.830 ( 5.305 -4.929 3.552) 8.066 2.938 ( 1.557 2.161 -2.023) 3.345 2.971 ( 1.416 -9.147 1.108) 9.322 3.157 ( 2.804 -4.117 -1.344) 5.160 3.246 ( -3.404 -6.636 -1.113) 7.540 3.351 ( -3.508 -1.194 0.700) 3.771 3.486 ( -0.311 4.732 6.753) 8.252 3.685 ( -1.618 -2.333 2.397) 3.716 3.779 ( 7.556 2.815 7.434) 10.967 3.843 ( 1.323 -0.657 -0.820) 1.689 4.239 ( 12.715 -6.634 -10.086) 17.534 4.484 ( -0.742 3.750 4.550) 5.943 4.595 ( 3.054 -7.849 -0.731) 8.453 4.775 ( 0.387 -0.126 -2.123) 2.162 4.886 ( 0.355 9.349 4.835) 10.531 5.225 ( -3.767 -1.365 -1.187) 4.179 5.370 ( 6.265 -1.852 -2.252) 6.910 5.479 ( -4.969 1.510 2.074) 5.592 5.693 ( -2.073 -2.011 0.853) 3.012 5.953 ( -2.666 10.934 -4.632) 12.170 6.209 ( 0.118 3.610 9.541) 10.202 6.726 ( -8.954 5.658 -15.603) 18.858 9.194 ( -1.019 1.633 -1.394) 2.377 9.258 ( -3.261 5.169 0.503) 6.132 9.496 ( -1.384 1.074 0.980) 2.007 9.585 ( 0.129 -0.685 1.276) 1.454 9.935 ( 1.038 1.495 -2.166) 2.829 10.140 ( 3.433 -1.935 2.965) 4.932 11.584 ( 1.929 0.496 1.424) 2.449 11.766 ( -0.320 0.323 -1.433) 1.503 13.194 ( -1.674 -1.818 -1.311) 2.798 13.225 ( -0.922 -1.733 0.533) 2.034 14.668 ( 1.010 -2.053 -1.727) 2.866 14.716 ( 0.444 -0.804 0.039) 0.919 14.753 ( -0.984 -0.573 -0.133) 1.147 14.970 ( 0.171 -1.719 2.243) 2.831 15.007 ( 0.835 -1.314 5.194) 5.423 15.761 ( -1.626 5.524 0.935) 5.834 16.046 ( 0.826 0.686 -1.073) 1.518 16.073 ( 0.843 0.557 0.003) 1.010 17.341 ( 0.018 -0.478 -0.341) 0.588 17.442 ( -1.109 -0.207 0.294) 1.166 20.386 ( -0.519 -0.905 0.293) 1.084 20.646 ( -2.107 -1.609 -1.984) 3.311 25.633 ( -0.787 0.663 4.910) 5.017 26.345 ( -11.323 21.871 -1.683) 24.686 28.496 ( 0.180 -0.145 -0.691) 0.728 28.531 ( -1.001 0.446 0.822) 1.370 29.636 ( -0.166 -0.239 -1.754) 1.778 29.675 ( -1.859 0.659 1.572) 2.522 31.823 ( 1.161 0.319 0.030) 1.204 31.900 ( 3.354 -0.476 0.231) 3.395 32.071 ( 6.125 -0.101 -0.441) 6.142 32.252 ( 11.254 6.396 0.467) 12.953 32.748 ( -1.771 -1.368 0.844) 2.392 33.054 ( 0.855 -4.087 -7.600) 8.671 33.615 ( 5.152 -16.223 14.737) 22.515 34.558 ( -9.307 0.551 -10.300) 13.893 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.154 -3.405 1.471) 3.712 1.384 ( 3.930 -5.461 0.683) 6.762 1.448 ( 0.058 0.421 -2.566) 2.601 1.636 ( -2.221 1.866 0.605) 2.963 1.817 ( 8.379 -8.300 -0.891) 11.827 1.881 ( 1.006 -0.638 -3.325) 3.532 1.967 ( -4.497 -4.570 2.739) 6.972 2.046 ( 5.499 -5.591 -4.545) 9.064 2.231 ( 2.757 -2.595 2.463) 4.516 2.260 ( -0.211 -3.005 0.625) 3.076 2.407 ( 2.506 2.403 -1.863) 3.940 2.558 ( 1.158 1.515 -3.039) 3.588 2.645 ( -3.645 -2.207 5.231) 6.747 2.759 ( -0.809 -5.202 -2.693) 5.913 2.913 ( 0.942 1.542 1.075) 2.103 2.982 ( 1.503 -4.260 3.019) 5.433 3.097 ( 1.394 -2.758 -1.946) 3.652 3.308 ( -3.480 -4.191 -1.403) 5.625 3.332 ( 2.353 -8.338 -2.004) 8.892 3.399 ( 3.539 -4.780 3.825) 7.072 3.447 ( 2.326 1.125 -1.707) 3.097 3.664 ( -0.778 1.956 4.813) 5.253 3.806 ( 2.487 2.675 3.318) 4.934 3.993 ( 7.833 -6.078 4.082) 10.722 4.287 ( -3.669 5.142 -3.764) 7.353 4.488 ( 4.629 -3.193 0.965) 5.706 4.687 ( 1.276 0.964 0.605) 1.710 4.795 ( 1.497 -6.491 -3.344) 7.453 4.855 ( 3.086 -0.162 2.044) 3.705 5.157 ( -4.872 3.539 -3.303) 6.868 5.374 ( -2.349 1.605 -1.313) 3.134 5.452 ( 1.511 0.619 1.821) 2.446 5.674 ( 1.282 2.490 -7.097) 7.629 5.784 ( -3.453 4.386 4.230) 7.004 6.219 ( 1.501 0.342 11.676) 11.777 6.506 ( -6.999 5.252 -13.088) 15.744 9.149 ( -1.286 1.710 -1.911) 2.869 9.182 ( -0.816 1.752 1.291) 2.324 9.469 ( -0.743 0.882 0.684) 1.341 9.600 ( -0.136 -0.543 0.668) 0.871 9.913 ( 0.293 1.031 -1.261) 1.655 10.203 ( 2.173 -1.163 1.857) 3.086 11.593 ( 0.874 0.385 0.793) 1.241 11.757 ( -0.143 0.029 -0.817) 0.830 13.201 ( -0.659 -0.700 -0.908) 1.322 13.246 ( -0.632 -1.321 0.594) 1.580 14.695 ( 0.572 -0.212 -0.496) 0.786 14.739 ( 0.513 -1.848 -1.957) 2.740 14.768 ( -0.341 -1.756 0.106) 1.792 14.979 ( -0.657 1.530 3.965) 4.301 15.045 ( 0.549 -1.301 1.226) 1.870 15.667 ( -1.596 3.106 -0.367) 3.512 16.043 ( -0.000 -0.155 -0.461) 0.487 16.076 ( 1.550 0.791 0.274) 1.761 17.348 ( -0.013 -0.401 -0.338) 0.525 17.434 ( -0.636 0.154 0.176) 0.677 20.405 ( 0.009 -1.106 0.329) 1.153 20.645 ( -1.002 -0.654 -1.212) 1.703 25.648 ( 0.478 -1.590 3.132) 3.545 25.956 ( -6.510 13.067 -1.962) 14.730 28.498 ( 0.315 -0.124 -0.737) 0.811 28.518 ( -0.796 0.300 0.811) 1.175 29.636 ( 0.420 -0.273 -2.145) 2.203 29.653 ( -1.536 0.547 2.001) 2.581 31.830 ( 0.735 0.057 -0.045) 0.739 31.939 ( 2.152 -0.622 0.336) 2.265 32.126 ( 3.847 -0.724 -0.540) 3.951 32.238 ( 4.847 4.472 0.558) 6.619 32.751 ( -1.372 -0.675 0.516) 1.613 33.100 ( 0.953 -2.352 -4.450) 5.123 33.933 ( 4.806 -10.150 13.739) 17.745 34.416 ( -7.430 2.515 -10.730) 13.291 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 -0.000 0.000) 0.000 1.404 ( 0.000 -0.000 -0.000) 0.000 1.506 ( -0.000 -0.000 0.000) 0.000 1.592 ( 0.000 -0.000 -0.000) 0.000 1.838 ( 0.000 -0.000 0.000) 0.000 1.949 ( 0.000 -0.000 0.000) 0.000 2.006 ( 0.000 -0.000 0.000) 0.000 2.158 ( -0.000 -0.000 0.000) 0.000 2.245 ( 0.000 -0.000 0.000) 0.000 2.294 ( 0.000 -0.000 -0.000) 0.000 2.383 ( 0.000 -0.000 0.000) 0.000 2.546 ( 0.000 -0.000 -0.000) 0.000 2.654 ( -0.000 -0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 -0.000 -0.000) 0.000 2.982 ( 0.000 -0.000 0.000) 0.000 3.123 ( 0.000 -0.000 0.000) 0.000 3.308 ( 0.000 -0.000 -0.000) 0.000 3.387 ( 0.000 -0.000 0.000) 0.000 3.454 ( 0.000 -0.000 -0.000) 0.000 3.517 ( 0.000 -0.000 0.000) 0.000 3.712 ( 0.000 -0.000 0.000) 0.000 3.797 ( 0.000 -0.000 -0.000) 0.000 3.962 ( 0.000 -0.000 0.000) 0.000 4.285 ( 0.000 0.000 -0.000) 0.000 4.535 ( 0.000 -0.000 0.000) 0.000 4.706 ( 0.000 -0.000 0.000) 0.000 4.824 ( 0.000 -0.000 0.000) 0.000 4.946 ( -0.000 -0.000 -0.000) 0.000 5.049 ( 0.000 -0.000 0.000) 0.000 5.345 ( 0.000 -0.000 0.000) 0.000 5.444 ( 0.000 -0.000 -0.000) 0.000 5.641 ( 0.000 -0.000 0.000) 0.000 5.746 ( 0.000 -0.000 -0.000) 0.000 6.266 ( 0.000 -0.000 -0.000) 0.000 6.378 ( 0.000 -0.000 0.000) 0.000 9.122 ( 0.000 -0.000 0.000) 0.000 9.168 ( 0.000 -0.000 -0.000) 0.000 9.459 ( 0.000 -0.000 0.000) 0.000 9.604 ( 0.000 -0.000 0.000) 0.000 9.903 ( 0.000 -0.000 0.000) 0.000 10.227 ( 0.000 -0.000 0.000) 0.000 11.595 ( 0.000 -0.000 0.000) 0.000 11.756 ( 0.000 -0.000 -0.000) 0.000 13.202 ( 0.000 -0.000 -0.000) 0.000 13.256 ( 0.000 -0.000 0.000) 0.000 14.697 ( 0.000 -0.000 0.000) 0.000 14.754 ( 0.000 -0.000 0.000) 0.000 14.792 ( 0.000 -0.000 0.000) 0.000 14.958 ( 0.000 -0.000 0.000) 0.000 15.062 ( 0.000 -0.000 0.000) 0.000 15.632 ( 0.000 -0.000 -0.000) 0.000 16.044 ( 0.000 -0.000 0.000) 0.000 16.077 ( 0.000 -0.000 -0.000) 0.000 17.351 ( 0.000 -0.000 0.000) 0.000 17.429 ( 0.000 -0.000 0.000) 0.000 20.416 ( 0.000 -0.000 0.000) 0.000 20.643 ( 0.000 -0.000 0.000) 0.000 25.708 ( 0.000 -0.000 0.000) 0.000 25.771 ( 0.000 -0.000 0.000) 0.000 28.500 ( -0.000 -0.000 0.000) 0.000 28.512 ( 0.000 -0.000 -0.000) 0.000 29.640 ( -0.000 0.000 0.000) 0.000 29.641 ( 0.000 -0.000 -0.000) 0.000 31.833 ( 0.000 -0.000 0.000) 0.000 31.956 ( 0.000 -0.000 -0.000) 0.000 32.157 ( 0.000 -0.000 0.000) 0.000 32.216 ( 0.000 -0.000 0.000) 0.000 32.751 ( 0.000 -0.000 -0.000) 0.000 33.119 ( 0.000 -0.000 0.000) 0.000 34.096 ( 0.000 -0.000 0.000) 0.000 34.308 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 19.288 0.000 10.294) 21.864 0.505 ( 21.807 0.000 10.635) 24.262 0.906 ( 44.430 0.000 -0.795) 44.437 1.264 ( 2.330 0.000 1.057) 2.558 1.275 ( 7.928 0.000 -4.721) 9.227 1.612 ( 7.350 0.000 2.891) 7.898 1.693 ( -4.137 -0.000 3.195) 5.227 1.814 ( 2.396 0.000 -6.069) 6.525 1.847 ( 2.345 0.000 1.814) 2.965 1.953 ( 4.055 0.000 -0.926) 4.159 2.098 ( 5.838 0.000 2.795) 6.472 2.310 ( -5.474 -0.000 -3.841) 6.687 2.379 ( 7.006 0.000 4.394) 8.270 2.519 ( -6.070 -0.000 -4.636) 7.638 2.706 ( -0.728 -0.000 -3.820) 3.889 2.788 ( 5.469 0.000 2.969) 6.223 3.078 ( 0.620 0.000 1.814) 1.917 3.192 ( -0.978 -0.000 -4.345) 4.454 3.255 ( 3.404 0.000 -5.200) 6.215 3.473 ( 4.013 0.000 -0.537) 4.049 3.540 ( -1.038 -0.000 -1.137) 1.539 3.552 ( -9.879 -0.000 22.976) 25.010 3.826 ( 7.203 0.000 -10.309) 12.576 3.908 ( -1.083 -0.000 -4.353) 4.486 3.948 ( 6.518 0.000 1.061) 6.603 4.306 ( 3.396 0.000 -2.945) 4.495 4.721 ( -1.700 -0.000 -5.306) 5.571 4.757 ( 2.327 0.000 0.597) 2.403 4.906 ( -2.992 -0.000 3.681) 4.744 5.036 ( 5.166 0.000 7.075) 8.760 5.356 ( -2.280 -0.000 -0.213) 2.290 5.416 ( 9.688 0.000 -7.424) 12.206 5.583 ( -11.020 -0.000 18.975) 21.943 6.327 ( -3.244 -0.000 -1.613) 3.623 6.529 ( -3.916 -0.000 1.060) 4.057 6.944 ( 1.571 0.000 -23.849) 23.900 9.277 ( -1.965 -0.000 0.277) 1.985 9.499 ( 0.684 0.000 1.613) 1.752 9.552 ( -5.778 -0.000 -0.697) 5.820 9.608 ( -1.543 -0.000 -1.287) 2.009 9.962 ( 7.170 0.000 0.390) 7.181 10.029 ( -1.104 -0.000 3.651) 3.814 11.651 ( 3.245 0.000 -4.076) 5.210 11.785 ( -1.038 -0.000 -2.329) 2.550 13.011 ( -0.219 -0.000 0.030) 0.221 13.179 ( -0.113 -0.000 -0.566) 0.577 14.624 ( -0.930 -0.000 3.935) 4.043 14.676 ( 1.659 0.000 1.015) 1.945 14.814 ( -0.631 -0.000 2.610) 2.685 14.841 ( -0.069 -0.000 0.613) 0.617 14.910 ( -2.030 -0.000 9.291) 9.510 15.916 ( 1.640 0.000 4.467) 4.758 16.113 ( -5.187 -0.000 -3.559) 6.291 16.220 ( -0.054 -0.000 3.300) 3.300 17.337 ( -0.154 -0.000 0.597) 0.616 17.397 ( -1.157 -0.000 0.050) 1.158 20.410 ( -2.743 -0.000 0.760) 2.847 20.457 ( 0.374 0.000 -1.680) 1.721 25.695 ( -7.169 -0.000 23.582) 24.648 27.528 ( -24.958 -0.000 3.815) 25.247 28.482 ( 0.246 0.000 -0.453) 0.515 28.579 ( -2.976 -0.000 0.793) 3.080 29.612 ( -0.026 -0.000 -0.886) 0.887 29.687 ( -1.188 -0.000 0.904) 1.493 31.844 ( 1.652 0.000 -2.222) 2.769 31.883 ( 7.042 0.000 4.272) 8.237 32.085 ( 16.076 0.000 -1.755) 16.172 32.391 ( 2.088 0.000 -7.116) 7.416 32.799 ( -1.059 -0.000 -2.568) 2.778 32.943 ( -0.845 -0.000 0.103) 0.851 33.040 ( 3.799 0.000 -2.824) 4.733 34.251 ( 4.440 0.000 -12.528) 13.292 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 17.143 -7.539 10.529) 21.485 0.907 ( 19.860 -14.506 0.011) 24.594 1.208 ( 6.141 0.253 1.943) 6.446 1.423 ( 7.910 -5.914 -1.938) 10.065 1.547 ( 17.018 -13.550 3.854) 22.093 1.696 ( -1.424 -4.408 4.569) 6.506 1.757 ( 3.732 -10.311 -5.787) 12.398 1.834 ( 7.961 -1.183 -6.700) 10.472 1.900 ( 6.431 -2.787 2.745) 7.528 1.985 ( 11.146 1.425 1.958) 11.406 2.182 ( 4.251 -0.694 4.539) 6.258 2.331 ( -1.366 -7.654 -5.725) 9.655 2.390 ( -0.586 3.916 -1.732) 4.322 2.518 ( 5.511 -3.353 -1.020) 6.531 2.726 ( 1.398 -5.464 -4.237) 7.055 2.830 ( 0.472 0.422 4.240) 4.287 3.009 ( 1.056 6.352 -0.302) 6.446 3.153 ( -0.835 1.686 -4.631) 4.999 3.232 ( 3.668 2.669 0.978) 4.640 3.425 ( -6.998 4.355 2.922) 8.744 3.584 ( -3.162 -1.837 9.054) 9.764 3.590 ( 2.425 -2.536 7.690) 8.453 3.854 ( -1.335 0.936 -4.915) 5.178 3.873 ( 8.108 1.163 -7.439) 11.065 4.048 ( 9.558 -3.164 -1.858) 10.238 4.372 ( 5.197 -3.716 -3.230) 7.159 4.636 ( 1.404 4.581 -1.174) 4.933 4.804 ( 2.312 2.628 3.105) 4.678 4.914 ( -4.597 -6.191 0.142) 7.713 5.201 ( 3.811 -7.727 8.292) 11.958 5.341 ( 0.725 1.750 2.589) 3.208 5.502 ( -2.823 1.087 1.999) 3.626 5.525 ( -0.829 -4.070 -0.855) 4.240 6.251 ( -4.565 3.823 -2.980) 6.658 6.412 ( -3.895 7.402 2.034) 8.608 6.849 ( -6.691 2.400 -17.446) 18.839 9.246 ( -2.208 1.065 -0.013) 2.452 9.442 ( -5.787 4.353 -0.672) 7.273 9.511 ( 0.236 0.365 0.987) 1.078 9.590 ( -1.094 0.135 -0.191) 1.119 9.994 ( 1.918 2.030 0.550) 2.847 10.075 ( 4.361 -2.147 3.308) 5.880 11.636 ( 3.577 2.919 -0.347) 4.630 11.773 ( -0.997 -0.387 -2.810) 3.006 13.064 ( -2.251 -4.993 -0.532) 5.503 13.183 ( -0.239 -0.773 -0.764) 1.113 14.626 ( 0.148 -0.116 0.687) 0.712 14.703 ( 2.315 -0.355 1.186) 2.625 14.781 ( -0.486 2.195 1.572) 2.743 14.885 ( 0.830 -2.871 0.206) 2.996 14.935 ( -1.249 -1.868 7.450) 7.782 15.915 ( -2.303 2.662 4.338) 5.587 16.053 ( -2.531 0.112 -3.857) 4.615 16.177 ( 4.189 4.759 1.570) 6.531 17.333 ( -0.219 0.154 0.257) 0.371 17.406 ( -1.835 -1.805 0.357) 2.599 20.380 ( -2.549 0.337 0.131) 2.575 20.517 ( -2.049 -5.590 -2.433) 6.431 25.681 ( -3.867 1.541 13.825) 14.439 27.106 ( -27.399 16.943 0.812) 32.225 28.487 ( 0.219 -0.311 -0.576) 0.690 28.549 ( -2.080 0.558 0.759) 2.283 29.618 ( -0.988 -0.925 -1.509) 2.027 29.680 ( -2.012 -0.344 1.364) 2.455 31.852 ( 2.369 0.533 -2.545) 3.517 31.951 ( 8.625 3.062 5.392) 10.623 32.139 ( 10.797 5.625 -1.545) 12.272 32.486 ( 5.282 -1.749 -5.382) 7.741 32.780 ( 3.417 3.951 1.950) 5.575 32.935 ( 8.839 4.112 -4.422) 10.705 33.026 ( 3.149 -11.725 5.942) 13.517 34.402 ( -7.088 -10.894 -10.857) 16.935 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 13.517 -11.538 5.713) 18.668 1.241 ( -4.541 -5.537 5.659) 9.127 1.322 ( 18.868 -9.127 -5.720) 21.726 1.513 ( 2.190 0.088 0.331) 2.217 1.650 ( -1.830 -0.178 1.398) 2.310 1.793 ( 4.689 -5.087 -2.178) 7.253 1.919 ( 8.856 -1.998 -2.936) 9.541 2.001 ( 10.612 1.959 -0.378) 10.798 2.054 ( 2.600 -10.048 -0.474) 10.390 2.216 ( 0.802 -8.000 3.623) 8.819 2.294 ( 1.300 -1.570 -0.650) 2.140 2.361 ( 10.318 -7.356 5.088) 13.655 2.522 ( 9.769 -12.090 -8.857) 17.889 2.645 ( 7.406 -3.251 -1.382) 8.206 2.801 ( -5.518 -1.393 3.964) 6.936 2.878 ( 2.804 -6.179 -0.899) 6.844 2.943 ( 2.697 1.258 -0.201) 2.983 3.115 ( -0.141 -0.444 -2.944) 2.980 3.202 ( -0.458 2.922 1.061) 3.142 3.314 ( -3.218 1.701 1.018) 3.780 3.595 ( 2.115 2.006 5.231) 5.989 3.654 ( 0.712 -1.347 3.266) 3.604 3.830 ( 0.047 -1.251 -3.677) 3.884 3.919 ( 8.145 2.184 2.256) 8.729 4.223 ( 10.892 -5.724 -5.897) 13.645 4.497 ( 4.513 -5.716 -2.781) 7.796 4.575 ( -0.163 4.478 5.284) 6.928 4.794 ( 3.453 1.905 0.558) 3.983 4.952 ( -5.212 -1.985 1.714) 5.835 5.267 ( -1.564 6.482 5.928) 8.922 5.375 ( 2.501 -3.146 2.114) 4.541 5.416 ( -7.118 -2.354 2.472) 7.894 5.637 ( 4.876 -3.687 -7.201) 9.446 6.070 ( -6.069 9.266 -4.803) 12.073 6.287 ( -2.810 4.081 7.731) 9.182 6.659 ( -9.674 4.037 -15.185) 18.452 9.203 ( -1.946 1.389 -0.915) 2.560 9.307 ( -4.617 4.723 0.231) 6.609 9.500 ( -0.639 0.916 0.052) 1.118 9.589 ( 0.420 -0.203 0.956) 1.064 9.969 ( 0.219 2.060 0.510) 2.134 10.162 ( 4.798 -1.329 2.727) 5.677 11.626 ( 2.045 1.744 0.406) 2.718 11.762 ( -0.263 -0.010 -2.062) 2.079 13.119 ( -1.902 -4.034 -0.443) 4.482 13.195 ( -0.348 -1.201 -0.469) 1.335 14.641 ( 0.753 -1.312 -0.909) 1.765 14.728 ( 2.048 0.677 -0.477) 2.210 14.755 ( 0.241 0.794 1.962) 2.130 14.938 ( 0.681 -2.429 -0.064) 2.523 14.990 ( -1.193 -2.816 7.410) 8.016 15.801 ( -7.678 4.162 -1.388) 8.843 16.048 ( 2.301 0.609 0.184) 2.387 16.160 ( 4.779 3.274 1.001) 5.879 17.331 ( -0.337 -0.321 -0.306) 0.557 17.417 ( -1.537 -1.308 0.503) 2.080 20.366 ( -0.983 -0.727 0.320) 1.264 20.569 ( -1.942 -3.869 -2.589) 5.044 25.657 ( -2.295 1.471 8.537) 8.961 26.543 ( -20.472 19.074 -2.423) 28.086 28.491 ( 0.212 -0.258 -0.775) 0.843 28.527 ( -1.508 0.287 0.901) 1.780 29.618 ( -0.473 -0.721 -1.812) 2.006 29.664 ( -2.486 0.010 1.637) 2.977 31.856 ( 2.661 1.012 -2.049) 3.508 31.982 ( 7.366 3.849 4.288) 9.352 32.156 ( 7.310 2.364 -1.217) 7.779 32.470 ( 4.995 6.004 -2.711) 8.267 32.759 ( 3.141 2.719 1.477) 4.410 32.977 ( 2.768 -3.034 -5.580) 6.929 33.407 ( 6.713 -19.327 12.489) 23.970 34.403 ( -8.496 -3.242 -10.892) 14.189 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 3.396 -4.642 6.537) 8.707 1.322 ( 4.582 -7.655 -2.259) 9.203 1.452 ( -1.372 1.446 -0.129) 1.997 1.628 ( -1.571 -0.015 0.512) 1.653 1.649 ( 5.040 -10.689 -2.362) 12.052 1.920 ( 5.170 0.308 -4.431) 6.816 2.010 ( 10.354 0.794 0.608) 10.402 2.057 ( 10.244 0.600 -0.560) 10.276 2.154 ( 0.287 -7.609 -0.945) 7.673 2.307 ( 4.054 1.682 6.018) 7.448 2.430 ( -0.025 -5.851 -5.262) 7.869 2.503 ( 5.011 -2.945 0.952) 5.890 2.615 ( -7.638 2.669 10.661) 13.384 2.720 ( 6.865 -2.148 -5.442) 9.020 2.935 ( 1.641 -1.055 1.941) 2.752 2.956 ( 2.633 -7.162 -1.355) 7.750 3.019 ( 1.584 -6.644 -1.070) 6.913 3.162 ( 2.547 -2.391 -6.604) 7.471 3.219 ( 0.842 -7.196 3.229) 7.932 3.345 ( 5.063 -4.504 -1.796) 7.011 3.574 ( 3.111 4.519 -2.700) 6.115 3.691 ( 2.622 -0.141 3.445) 4.331 3.862 ( 1.216 -0.658 -0.535) 1.483 4.009 ( 10.092 -2.677 8.607) 13.531 4.325 ( -0.992 2.426 -6.738) 7.230 4.508 ( 0.166 1.554 8.066) 8.216 4.634 ( 0.892 -6.327 -1.026) 6.471 4.787 ( 1.500 2.912 -2.984) 4.431 4.909 ( 1.867 2.131 2.082) 3.515 5.160 ( -3.885 2.841 0.253) 4.820 5.362 ( -2.622 0.317 -0.444) 2.679 5.474 ( 1.396 -0.850 2.493) 2.981 5.677 ( 1.603 -0.339 -8.978) 9.126 5.852 ( -5.846 7.289 0.604) 9.363 6.258 ( -1.384 0.516 10.167) 10.274 6.455 ( -9.623 3.376 -12.122) 15.841 9.156 ( -1.516 1.461 -1.968) 2.882 9.211 ( -2.211 2.714 1.532) 3.821 9.475 ( -0.871 0.891 -0.357) 1.296 9.603 ( 1.011 -0.124 0.895) 1.356 9.936 ( -0.249 1.795 0.567) 1.899 10.222 ( 3.022 -0.304 1.867) 3.566 11.614 ( 0.476 1.139 -0.393) 1.295 11.758 ( 0.472 0.089 -0.584) 0.756 13.160 ( -1.019 -2.692 -0.880) 3.010 13.216 ( -0.307 -1.674 0.438) 1.757 14.681 ( 0.641 -2.594 -0.829) 2.798 14.720 ( 1.201 0.833 -1.854) 2.361 14.766 ( 1.183 0.232 1.860) 2.217 14.980 ( -0.102 -1.765 0.915) 1.991 15.033 ( -1.116 -1.091 5.087) 5.321 15.659 ( -7.237 2.171 -3.519) 8.335 16.059 ( 2.673 1.380 1.170) 3.228 16.155 ( 4.346 3.110 0.789) 5.402 17.335 ( -0.424 -0.659 -0.511) 0.935 17.423 ( -0.918 -0.677 0.415) 1.214 20.384 ( 0.104 -1.484 0.571) 1.594 20.601 ( -1.179 -2.564 -2.012) 3.466 25.645 ( -1.083 0.120 5.147) 5.261 26.092 ( -12.189 13.815 -2.917) 18.653 28.495 ( 0.285 -0.242 -0.914) 0.987 28.513 ( -1.294 0.097 0.988) 1.631 29.623 ( 0.020 -0.710 -2.091) 2.208 29.646 ( -2.123 0.007 1.908) 2.854 31.857 ( 2.362 1.185 -1.365) 2.974 31.995 ( 5.020 3.058 3.308) 6.745 32.179 ( 4.981 1.827 -1.336) 5.471 32.388 ( 2.543 7.082 -1.400) 7.654 32.757 ( 2.436 1.146 0.574) 2.753 33.045 ( 1.297 -3.770 -2.793) 4.868 33.807 ( 5.447 -15.314 13.421) 21.079 34.313 ( -8.302 -0.418 -11.680) 14.336 ======================= Grid point 16 (11/117) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 2.386 -1.485 1.090) 3.014 1.413 ( -0.998 0.968 3.058) 3.359 1.476 ( 3.019 -4.570 -2.599) 6.063 1.592 ( -2.578 1.068 0.489) 2.833 1.769 ( -5.875 -3.544 -3.572) 7.736 1.983 ( 8.236 -2.389 0.584) 8.595 2.064 ( 10.146 3.722 -0.045) 10.807 2.171 ( 6.661 -1.401 -2.358) 7.204 2.252 ( 0.836 -1.101 0.923) 1.663 2.310 ( -1.946 1.662 5.795) 6.335 2.446 ( 2.890 2.578 -0.107) 3.874 2.503 ( -5.080 -0.309 4.402) 6.729 2.614 ( 0.557 -3.332 -0.975) 3.517 2.818 ( 6.883 -1.995 -0.677) 7.198 2.947 ( 2.294 0.722 2.655) 3.582 2.971 ( -3.361 1.070 2.855) 4.538 3.165 ( 5.820 -2.016 -3.901) 7.291 3.219 ( -0.835 -6.197 -6.348) 8.910 3.394 ( 4.928 -4.750 -1.446) 6.996 3.458 ( 3.621 -1.776 -7.132) 8.193 3.515 ( 2.935 1.674 1.194) 3.584 3.739 ( 5.178 -0.030 5.017) 7.210 3.842 ( -0.140 3.875 -1.043) 4.016 4.035 ( -8.401 10.977 0.036) 13.823 4.275 ( 5.385 -5.015 5.785) 9.360 4.537 ( 0.004 -0.150 1.846) 1.852 4.709 ( -0.462 -0.593 -0.418) 0.860 4.750 ( -2.208 -3.422 -5.058) 6.494 4.957 ( 5.289 -1.081 1.417) 5.581 5.079 ( -2.410 3.223 0.424) 4.047 5.337 ( -1.312 0.013 1.449) 1.954 5.462 ( -0.966 1.885 0.406) 2.156 5.635 ( -3.365 1.400 -0.825) 3.737 5.755 ( 0.488 1.113 -2.670) 2.934 6.248 ( -4.161 1.795 -6.908) 8.261 6.351 ( -2.404 -2.991 6.825) 7.830 9.123 ( -0.382 0.436 -1.085) 1.231 9.173 ( -0.832 0.865 1.167) 1.674 9.456 ( -0.549 0.241 -0.780) 0.983 9.616 ( 1.360 0.268 0.400) 1.443 9.911 ( -0.483 0.972 1.194) 1.614 10.239 ( 0.781 0.899 0.254) 1.218 11.597 ( -0.386 0.612 -1.047) 1.273 11.762 ( 0.671 0.213 0.462) 0.842 13.186 ( -0.244 -1.513 -0.712) 1.689 13.244 ( -0.044 -1.405 0.599) 1.528 14.703 ( 0.326 0.496 1.031) 1.189 14.747 ( 0.350 -3.538 -3.035) 4.675 14.774 ( 1.548 0.795 1.565) 2.340 14.982 ( -0.472 1.675 1.179) 2.102 15.048 ( -1.032 -1.074 1.524) 2.132 15.584 ( -4.995 -1.565 -3.061) 6.064 16.058 ( 1.708 1.631 1.035) 2.578 16.141 ( 3.624 3.309 0.684) 4.955 17.342 ( -0.424 -0.732 -0.337) 0.911 17.427 ( -0.229 -0.301 0.297) 0.481 20.411 ( 0.346 -0.900 0.436) 1.058 20.625 ( -0.371 -1.744 -0.925) 2.009 25.675 ( 0.307 -2.852 2.778) 3.993 25.818 ( -5.911 7.377 -2.187) 9.702 28.499 ( 0.091 -0.122 -0.254) 0.296 28.506 ( -0.715 -0.281 0.266) 0.813 29.630 ( 0.191 -0.778 -1.798) 1.968 29.637 ( -1.181 -0.197 1.697) 2.077 31.853 ( 1.731 1.218 -0.872) 2.290 31.992 ( 2.342 2.755 2.742) 4.538 32.176 ( 1.658 1.942 -1.794) 3.121 32.280 ( -0.172 6.232 -0.947) 6.306 32.769 ( 2.924 0.635 -0.152) 2.996 33.103 ( 0.060 -2.206 1.705) 2.788 34.070 ( 1.077 -4.160 2.562) 5.003 34.238 ( -3.229 -5.176 -3.501) 7.034 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.866 1.754 0.143) 2.565 1.419 ( 1.641 0.274 -1.047) 1.965 1.475 ( -3.453 4.063 3.311) 6.276 1.601 ( 0.903 -3.314 -0.904) 3.552 1.763 ( -4.231 -3.298 -1.658) 5.614 1.989 ( 3.076 7.612 -1.234) 8.303 2.101 ( -2.223 6.656 1.312) 7.138 2.135 ( 6.295 2.426 1.694) 6.956 2.256 ( 0.177 1.272 2.649) 2.944 2.314 ( 0.962 -0.113 2.144) 2.353 2.419 ( 4.212 5.286 2.507) 7.209 2.498 ( -3.684 -2.576 3.970) 5.998 2.674 ( 2.198 -1.453 -5.010) 5.661 2.858 ( -3.851 4.594 0.529) 6.018 2.907 ( 6.111 0.762 -0.483) 6.177 2.981 ( -1.930 -1.384 2.080) 3.158 3.184 ( 4.416 4.712 -1.808) 6.706 3.309 ( -0.020 -4.530 -0.313) 4.541 3.363 ( -1.023 3.563 -2.446) 4.441 3.492 ( 3.466 4.419 -0.618) 5.650 3.549 ( -0.318 8.092 -1.591) 8.253 3.610 ( 0.278 -0.382 -12.173) 12.182 3.788 ( 0.280 2.347 1.845) 2.999 3.964 ( -2.267 -1.792 1.672) 3.338 4.310 ( 1.499 3.119 2.659) 4.364 4.499 ( -6.767 3.598 2.368) 8.022 4.672 ( -0.697 0.803 -1.712) 2.016 4.809 ( -1.230 -3.472 -1.838) 4.116 4.902 ( -2.537 7.287 -0.106) 7.717 5.141 ( 5.871 -5.935 5.266) 9.870 5.358 ( -0.328 -2.262 3.106) 3.856 5.432 ( -0.470 0.532 -2.078) 2.196 5.611 ( -4.148 -3.042 6.501) 8.290 5.761 ( 3.168 -0.752 -6.484) 7.256 6.151 ( -4.412 0.080 -10.993) 11.846 6.483 ( 3.149 -7.398 10.777) 13.446 9.134 ( 0.952 -1.627 0.100) 1.888 9.166 ( -0.279 -0.281 0.633) 0.746 9.454 ( -0.089 -0.780 -1.317) 1.533 9.621 ( 1.635 0.894 -0.182) 1.872 9.903 ( -0.745 -0.149 2.071) 2.205 10.209 ( -1.145 2.059 -1.410) 2.746 11.580 ( -0.834 0.227 -1.272) 1.538 11.766 ( 0.542 0.270 0.869) 1.059 13.205 ( 0.272 -0.790 0.048) 0.837 13.261 ( 0.422 -0.217 0.071) 0.480 14.699 ( 0.109 0.516 0.781) 0.943 14.768 ( 0.058 0.487 1.065) 1.172 14.796 ( 0.909 -0.045 0.987) 1.343 14.952 ( 0.241 0.406 -3.278) 3.312 15.049 ( -1.235 0.174 0.199) 1.263 15.590 ( -2.943 -4.318 -2.069) 5.621 16.045 ( 0.325 1.358 0.668) 1.548 16.121 ( 2.987 2.882 0.777) 4.222 17.347 ( -0.357 -0.392 0.044) 0.532 17.433 ( 0.351 -0.385 0.113) 0.533 20.418 ( 0.185 0.406 0.052) 0.449 20.649 ( 0.420 -1.189 0.224) 1.280 25.669 ( -1.994 2.975 -1.687) 3.959 25.810 ( 2.079 -9.030 1.373) 9.367 28.498 ( -0.455 0.015 0.794) 0.915 28.513 ( 0.310 -0.650 -0.834) 1.102 29.636 ( -0.728 -0.233 1.849) 2.001 29.645 ( 0.788 -1.013 -1.820) 2.227 31.844 ( 1.250 1.240 -0.628) 1.869 31.961 ( 0.015 3.044 2.068) 3.680 32.132 ( -1.832 2.629 -1.433) 3.510 32.179 ( -3.188 3.039 -0.920) 4.499 32.786 ( 3.399 0.866 -1.021) 3.654 33.128 ( -0.850 0.062 5.946) 6.006 33.979 ( -4.527 5.439 -12.189) 14.094 34.413 ( 4.477 -8.109 8.354) 12.474 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -5.633 9.430 4.049) 11.707 1.339 ( 2.220 6.641 -1.829) 7.237 1.476 ( 1.557 -3.014 0.228) 3.400 1.670 ( 1.188 -3.356 -0.092) 3.561 1.688 ( -4.653 9.777 0.780) 10.856 1.864 ( 0.209 4.998 -0.139) 5.005 1.967 ( -1.725 7.553 0.368) 7.756 2.139 ( 4.445 10.317 1.773) 11.373 2.170 ( 1.761 3.795 -3.223) 5.281 2.299 ( 2.177 5.589 2.642) 6.555 2.387 ( -0.194 -1.170 1.709) 2.080 2.519 ( -5.124 -1.014 4.145) 6.668 2.679 ( 3.131 1.395 -3.419) 4.842 2.781 ( -1.347 3.330 0.293) 3.604 2.869 ( -5.894 7.860 -2.065) 10.038 2.915 ( 1.964 2.467 0.979) 3.301 3.106 ( -0.645 6.230 0.961) 6.337 3.227 ( -5.684 10.419 -1.154) 11.924 3.333 ( -1.012 -0.069 -1.536) 1.840 3.429 ( 2.564 5.964 6.399) 9.116 3.465 ( 2.386 -2.949 -1.887) 4.237 3.660 ( 3.917 0.518 -17.922) 18.352 3.762 ( 4.319 2.465 -1.274) 5.134 3.860 ( -3.912 4.378 -0.469) 5.890 4.250 ( -14.076 5.835 12.203) 19.522 4.424 ( 1.791 -2.945 -4.607) 5.754 4.673 ( -0.188 -0.784 -0.404) 0.901 4.732 ( -3.346 4.219 -1.537) 5.600 4.830 ( -0.276 1.596 1.205) 2.019 5.294 ( 5.266 -1.533 3.427) 6.468 5.353 ( -4.531 1.626 4.915) 6.880 5.465 ( 2.862 -3.212 -1.559) 4.576 5.702 ( 2.023 -5.789 0.357) 6.143 5.805 ( 0.034 -5.403 -1.055) 5.506 6.108 ( -2.712 -3.076 -8.961) 9.855 6.704 ( 5.147 -9.547 10.149) 14.854 9.179 ( 0.186 -1.159 0.957) 1.514 9.199 ( 1.784 -4.312 0.072) 4.667 9.473 ( 0.321 -1.836 -1.606) 2.461 9.613 ( 1.460 1.782 -0.580) 2.375 9.910 ( -1.253 -0.889 2.504) 2.938 10.145 ( -1.947 2.723 -2.195) 4.003 11.563 ( -1.151 0.243 -1.285) 1.742 11.770 ( 0.341 0.024 0.890) 0.953 13.218 ( 0.543 -0.164 0.654) 0.866 13.260 ( 0.924 0.979 -0.294) 1.378 14.689 ( -0.354 0.905 1.233) 1.570 14.747 ( -0.010 2.493 -0.438) 2.531 14.792 ( 1.602 1.421 3.743) 4.312 14.951 ( -0.528 -1.243 -6.642) 6.778 15.018 ( -1.368 1.940 -0.209) 2.383 15.655 ( -1.411 -6.227 -1.487) 6.556 16.023 ( -0.989 0.941 0.163) 1.374 16.113 ( 2.782 1.491 1.226) 3.386 17.347 ( -0.249 0.152 0.222) 0.367 17.446 ( 0.608 -0.497 -0.044) 0.786 20.406 ( 0.189 1.037 -0.153) 1.065 20.673 ( 1.064 -0.598 0.926) 1.532 25.623 ( -0.355 0.558 -2.125) 2.226 26.075 ( 4.319 -18.133 1.031) 18.669 28.497 ( -0.238 -0.005 0.526) 0.577 28.526 ( 0.461 -0.701 -0.599) 1.031 29.640 ( -0.217 -0.195 1.249) 1.283 29.669 ( 0.990 -1.213 -1.147) 1.941 31.835 ( 1.490 1.128 -0.638) 1.975 31.909 ( -1.015 2.829 1.487) 3.354 32.053 ( -3.162 2.974 -0.463) 4.365 32.101 ( -7.731 0.091 -1.103) 7.810 32.794 ( 2.689 1.464 -1.378) 3.357 33.125 ( -0.416 1.967 7.967) 8.217 33.763 ( -3.921 11.024 -12.175) 16.886 34.603 ( 5.466 -5.688 6.924) 10.496 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -5.389 16.193 3.424) 17.407 1.192 ( -0.595 13.378 0.220) 13.393 1.462 ( 0.396 10.861 -0.380) 10.875 1.543 ( 1.255 -1.664 0.421) 2.126 1.702 ( 0.510 9.423 -1.588) 9.570 1.749 ( -0.875 0.132 0.400) 0.971 1.842 ( -3.772 3.591 0.658) 5.249 1.928 ( -0.399 10.022 -1.945) 10.217 2.140 ( 0.706 4.572 -2.433) 5.227 2.252 ( 5.954 3.892 1.405) 7.250 2.372 ( 4.516 14.622 -2.257) 15.469 2.426 ( -9.229 2.564 4.219) 10.466 2.523 ( -9.594 16.795 1.039) 19.370 2.618 ( 1.347 12.776 1.430) 12.926 2.787 ( 2.315 -3.647 -2.737) 5.114 2.908 ( -0.616 2.674 1.483) 3.120 2.979 ( 0.766 0.584 0.383) 1.036 3.043 ( -6.779 1.492 -1.349) 7.071 3.316 ( 2.007 7.068 1.762) 7.556 3.382 ( 0.297 -1.249 1.292) 1.822 3.526 ( 2.100 1.097 -3.411) 4.153 3.645 ( -2.940 -6.984 -1.129) 7.661 3.761 ( 12.847 5.141 -15.150) 20.518 3.828 ( -1.120 -0.416 3.443) 3.645 4.020 ( -15.233 6.486 10.807) 19.772 4.471 ( -0.084 -2.333 -1.006) 2.542 4.552 ( -1.260 7.992 0.060) 8.091 4.794 ( 0.858 0.732 0.642) 1.298 4.826 ( -2.129 -9.731 -2.296) 10.222 5.265 ( -3.910 2.776 0.887) 4.877 5.344 ( 6.681 4.450 2.103) 8.298 5.471 ( -4.455 2.096 -0.723) 4.976 5.764 ( 4.857 0.712 -4.660) 6.769 6.003 ( -0.239 -14.783 4.387) 15.422 6.158 ( -0.448 -6.682 -3.907) 7.753 6.943 ( 4.427 -9.168 7.852) 12.858 9.211 ( 0.295 -2.035 0.307) 2.079 9.316 ( 1.955 -7.010 0.507) 7.295 9.510 ( 0.584 -2.169 -1.200) 2.547 9.584 ( 0.468 2.434 -0.675) 2.569 9.917 ( -1.677 -0.682 1.822) 2.568 10.079 ( -1.047 2.360 -1.542) 3.008 11.542 ( -1.149 0.533 -0.920) 1.565 11.777 ( 0.129 -0.400 0.573) 0.710 13.223 ( 0.405 0.431 0.674) 0.897 13.247 ( 1.272 1.538 -0.138) 2.000 14.671 ( 0.003 1.641 2.312) 2.835 14.695 ( -0.569 2.192 -2.320) 3.242 14.809 ( 2.839 0.764 4.253) 5.170 14.924 ( -2.350 0.348 -7.275) 7.653 14.963 ( -0.783 2.935 0.133) 3.041 15.748 ( -0.789 -5.880 -1.250) 6.063 15.994 ( -1.617 0.852 -0.406) 1.873 16.133 ( 2.221 -0.309 1.327) 2.605 17.340 ( -0.123 0.374 0.122) 0.413 17.458 ( 0.524 -0.135 -0.104) 0.551 20.396 ( 0.376 0.188 -0.076) 0.427 20.693 ( 1.338 0.018 0.914) 1.621 25.621 ( 0.280 -0.822 -2.149) 2.318 26.515 ( 4.703 -27.683 0.396) 28.082 28.496 ( -0.067 0.025 0.285) 0.294 28.541 ( 0.388 -0.755 -0.353) 0.919 29.648 ( 0.202 -0.458 0.716) 0.874 29.695 ( 0.722 -1.008 -0.635) 1.393 31.836 ( 2.618 0.737 -0.893) 2.862 31.866 ( 0.092 1.854 1.378) 2.312 31.974 ( -3.132 2.463 -0.042) 3.985 32.011 ( -10.973 -0.485 -0.874) 11.019 32.780 ( 1.237 2.083 -0.659) 2.511 33.100 ( 0.476 3.641 6.616) 7.566 33.455 ( -2.853 17.245 -8.814) 19.576 34.752 ( 4.648 -3.914 4.409) 7.508 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 19.753 -0.000) 19.753 0.874 ( -0.000 22.259 -0.000) 22.259 1.329 ( -0.000 6.276 -0.000) 6.276 1.450 ( -0.000 13.590 -0.000) 13.590 1.486 ( -0.000 18.831 -0.000) 18.831 1.749 ( -0.000 2.231 -0.000) 2.231 1.799 ( 0.000 -2.887 0.000) 2.887 1.847 ( -0.000 1.627 -0.000) 1.627 1.904 ( -0.000 20.592 -0.000) 20.592 2.074 ( -0.000 2.657 -0.000) 2.657 2.097 ( -0.000 25.226 -0.000) 25.226 2.271 ( -0.000 0.709 -0.000) 0.709 2.362 ( -0.000 0.555 -0.000) 0.555 2.565 ( -0.000 0.542 -0.000) 0.542 2.829 ( -0.000 5.066 -0.000) 5.066 2.867 ( 0.000 -2.245 0.000) 2.245 2.957 ( -0.000 5.118 -0.000) 5.118 3.039 ( 0.000 -2.640 0.000) 2.640 3.191 ( -0.000 4.061 -0.000) 4.061 3.477 ( 0.000 -6.095 0.000) 6.095 3.526 ( 0.000 -1.769 0.000) 1.769 3.667 ( -0.000 5.337 -0.000) 5.337 3.803 ( 0.000 -3.641 0.000) 3.641 3.816 ( -0.000 0.926 -0.000) 0.926 3.876 ( -0.000 0.557 -0.000) 0.557 4.419 ( -0.000 6.722 -0.000) 6.722 4.519 ( 0.000 -3.864 0.000) 3.864 4.785 ( 0.000 -0.553 0.000) 0.553 4.982 ( 0.000 -7.723 0.000) 7.723 5.176 ( -0.000 4.909 -0.000) 4.909 5.274 ( -0.000 9.368 -0.000) 9.368 5.384 ( -0.000 1.892 -0.000) 1.892 5.769 ( -0.000 0.655 -0.000) 0.655 6.221 ( 0.000 -8.601 0.000) 8.601 6.296 ( 0.000 -9.924 0.000) 9.924 7.125 ( 0.000 -7.385 0.000) 7.385 9.251 ( 0.000 -2.225 0.000) 2.225 9.464 ( 0.000 -8.410 0.000) 8.410 9.510 ( -0.000 2.896 -0.000) 2.896 9.575 ( 0.000 -2.095 0.000) 2.095 9.914 ( -0.000 0.106 -0.000) 0.106 10.042 ( -0.000 1.138 -0.000) 1.138 11.522 ( -0.000 0.711 -0.000) 0.711 11.788 ( 0.000 -0.621 0.000) 0.621 13.212 ( -0.000 1.216 -0.000) 1.216 13.235 ( -0.000 0.917 -0.000) 0.917 14.643 ( -0.000 1.838 -0.000) 1.838 14.666 ( -0.000 0.562 -0.000) 0.562 14.829 ( -0.000 0.705 -0.000) 0.705 14.871 ( -0.000 1.341 -0.000) 1.341 14.913 ( -0.000 2.461 -0.000) 2.461 15.823 ( 0.000 -3.720 0.000) 3.720 15.967 ( -0.000 0.893 -0.000) 0.893 16.161 ( 0.000 -0.980 0.000) 0.980 17.335 ( -0.000 0.158 -0.000) 0.158 17.457 ( -0.000 0.529 -0.000) 0.529 20.409 ( 0.000 -1.428 0.000) 1.428 20.700 ( -0.000 0.450 -0.000) 0.450 25.637 ( 0.000 -1.188 0.000) 1.188 27.066 ( 0.000 -32.171 0.000) 32.171 28.494 ( -0.000 0.314 -0.000) 0.314 28.560 ( 0.000 -1.371 0.000) 1.371 29.663 ( 0.000 -0.941 0.000) 0.941 29.710 ( 0.000 -0.433 0.000) 0.433 31.837 ( -0.000 0.326 -0.000) 0.326 31.882 ( -0.000 0.068 -0.000) 0.068 31.907 ( -0.000 1.394 -0.000) 1.394 31.921 ( -0.000 1.571 -0.000) 1.571 32.738 ( -0.000 4.024 -0.000) 4.024 33.047 ( -0.000 4.308 -0.000) 4.308 33.100 ( -0.000 19.203 -0.000) 19.203 34.844 ( 0.000 -2.768 0.000) 2.768 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 21.230 0.000 10.812) 23.825 0.897 ( 8.694 0.000 12.007) 14.824 1.394 ( 11.852 0.000 4.444) 12.657 1.440 ( 13.218 0.000 -7.814) 15.355 1.586 ( 17.247 0.000 -1.972) 17.360 1.661 ( -1.180 -0.000 -4.257) 4.417 1.669 ( -0.420 -0.000 5.022) 5.039 1.924 ( 20.008 0.000 -5.917) 20.864 1.939 ( 5.035 0.000 1.705) 5.315 2.128 ( -2.663 -0.000 2.635) 3.746 2.206 ( 11.247 0.000 -4.415) 12.083 2.265 ( 8.771 0.000 3.522) 9.451 2.365 ( -4.667 -0.000 -8.003) 9.264 2.563 ( 8.852 0.000 3.120) 9.386 2.680 ( 1.918 0.000 -5.624) 5.942 2.839 ( -2.979 -0.000 5.683) 6.416 3.123 ( 3.561 0.000 0.804) 3.651 3.129 ( -3.560 -0.000 -4.447) 5.697 3.293 ( 2.377 0.000 -2.579) 3.507 3.424 ( -4.454 -0.000 4.443) 6.291 3.504 ( -1.289 -0.000 -2.343) 2.674 3.653 ( 3.464 0.000 15.096) 15.488 3.824 ( -3.102 -0.000 -8.085) 8.660 3.947 ( 9.540 0.000 -5.168) 10.850 4.105 ( 8.762 0.000 1.149) 8.837 4.393 ( 6.819 0.000 -1.983) 7.102 4.687 ( 0.279 0.000 -2.196) 2.213 4.758 ( -2.228 -0.000 -3.333) 4.009 4.949 ( 3.435 0.000 11.964) 12.447 5.170 ( 4.219 0.000 5.161) 6.665 5.297 ( -2.200 -0.000 -3.172) 3.860 5.441 ( -11.707 -0.000 9.377) 14.999 5.582 ( 11.424 0.000 -9.412) 14.802 6.220 ( -6.461 -0.000 -2.152) 6.810 6.418 ( -8.165 -0.000 0.943) 8.220 6.783 ( -7.349 -0.000 -9.968) 12.385 9.231 ( -2.672 -0.000 0.209) 2.680 9.416 ( -6.996 -0.000 -1.038) 7.072 9.528 ( 1.317 0.000 1.332) 1.874 9.573 ( -0.995 -0.000 -1.660) 1.936 10.029 ( -1.863 -0.000 5.867) 6.156 10.118 ( 7.919 0.000 0.500) 7.934 11.701 ( 3.157 0.000 -0.918) 3.288 11.736 ( -1.827 -0.000 -4.021) 4.417 13.011 ( 0.160 0.000 0.193) 0.251 13.172 ( -0.134 -0.000 -0.863) 0.873 14.631 ( 0.322 0.000 0.323) 0.456 14.731 ( 3.009 0.000 1.573) 3.396 14.824 ( -0.347 -0.000 4.372) 4.386 14.844 ( -0.124 -0.000 0.985) 0.992 14.932 ( 0.351 0.000 2.905) 2.926 15.882 ( -9.717 -0.000 -0.946) 9.763 16.064 ( 4.253 0.000 2.098) 4.742 16.245 ( 1.779 0.000 -0.670) 1.901 17.337 ( -0.339 -0.000 0.935) 0.995 17.367 ( -1.643 -0.000 -0.348) 1.680 20.360 ( -2.410 -0.000 0.893) 2.570 20.454 ( 0.727 0.000 -2.650) 2.748 25.696 ( -4.520 -0.000 14.123) 14.829 26.948 ( -32.314 -0.000 -0.976) 32.329 28.486 ( 0.414 0.000 -0.531) 0.674 28.534 ( -2.037 -0.000 0.622) 2.130 29.597 ( -0.464 -0.000 -1.426) 1.499 29.660 ( -2.263 -0.000 1.324) 2.622 31.874 ( 3.052 0.000 -3.170) 4.400 32.088 ( 8.677 0.000 6.188) 10.658 32.387 ( 0.689 0.000 -3.285) 3.356 32.406 ( 13.453 0.000 5.062) 14.373 32.765 ( -0.563 -0.000 -2.593) 2.654 32.924 ( -1.189 -0.000 0.265) 1.219 33.128 ( 8.892 0.000 -6.833) 11.214 34.263 ( 2.422 0.000 -6.046) 6.513 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 5.509 -5.814 9.565) 12.475 1.122 ( 9.963 -4.218 9.383) 14.321 1.458 ( 12.967 4.035 -2.129) 13.746 1.562 ( 8.983 0.616 -1.557) 9.138 1.655 ( -0.662 1.889 1.480) 2.490 1.741 ( 6.140 -9.025 -3.256) 11.391 1.801 ( 7.565 -11.720 -1.608) 14.042 1.984 ( 0.274 -0.555 -3.102) 3.163 2.111 ( -0.682 -4.402 1.816) 4.810 2.208 ( 15.875 -0.354 -0.206) 15.880 2.269 ( 8.905 -2.666 -2.117) 9.533 2.356 ( 5.579 -5.936 -2.466) 8.511 2.450 ( 10.611 -3.834 1.551) 11.389 2.680 ( 8.656 -1.985 -0.644) 8.904 2.728 ( 0.223 -2.328 -1.365) 2.708 2.808 ( -3.517 -2.212 3.156) 5.217 3.053 ( 1.159 5.064 -1.826) 5.506 3.130 ( 6.599 1.715 -1.079) 6.903 3.263 ( -2.128 4.074 -2.589) 5.276 3.358 ( 1.082 3.282 2.312) 4.158 3.569 ( 0.450 -5.519 -2.961) 6.279 3.684 ( 0.053 2.355 2.664) 3.556 3.796 ( 0.697 -1.204 0.654) 1.537 4.031 ( 8.999 0.385 0.598) 9.027 4.228 ( 9.239 -3.532 -1.009) 9.943 4.471 ( 4.751 -2.175 -0.796) 5.285 4.644 ( -0.257 2.647 0.761) 2.767 4.817 ( -3.216 -7.120 -0.607) 7.837 4.935 ( 4.913 7.391 7.490) 11.613 5.260 ( -8.150 -1.591 4.696) 9.539 5.308 ( 0.254 -4.088 -1.737) 4.449 5.368 ( -1.994 -1.711 4.999) 5.647 5.654 ( 8.922 0.223 -9.887) 13.319 6.106 ( -8.418 4.572 -2.855) 9.996 6.314 ( -7.890 1.896 3.389) 8.794 6.618 ( -9.391 5.686 -8.279) 13.750 9.198 ( -2.481 0.836 -0.293) 2.634 9.323 ( -5.390 2.737 -0.537) 6.069 9.520 ( 0.161 1.707 -0.281) 1.738 9.582 ( 0.392 -1.326 0.105) 1.387 10.008 ( -1.219 1.981 4.481) 5.049 10.202 ( 6.044 -0.820 1.407) 6.260 11.674 ( 0.239 2.305 -2.140) 3.155 11.748 ( 0.905 -1.035 -1.617) 2.122 13.042 ( -0.251 -3.032 0.129) 3.045 13.174 ( -0.136 -0.685 -0.777) 1.045 14.634 ( 0.542 -0.107 -0.589) 0.808 14.765 ( 3.141 0.343 1.005) 3.315 14.794 ( 0.708 2.280 2.157) 3.217 14.899 ( 0.044 -3.109 1.350) 3.390 14.955 ( -0.210 -1.675 4.229) 4.553 15.751 ( -10.844 2.077 -3.923) 11.717 16.113 ( 5.162 1.206 4.057) 6.675 16.244 ( 2.916 1.802 -0.820) 3.524 17.326 ( -0.621 0.384 -0.045) 0.732 17.375 ( -1.436 -1.910 0.305) 2.409 20.347 ( -1.051 -0.454 0.608) 1.297 20.485 ( -0.066 -3.247 -2.639) 4.185 25.682 ( -3.485 1.163 10.545) 11.167 26.551 ( -26.363 9.695 -3.650) 28.325 28.489 ( 0.415 -0.089 -0.651) 0.777 28.517 ( -1.619 0.090 0.699) 1.766 29.596 ( -0.248 -0.675 -1.503) 1.666 29.642 ( -2.650 -0.161 1.412) 3.007 31.891 ( 3.287 0.589 -2.894) 4.419 32.157 ( 7.814 3.507 6.057) 10.490 32.291 ( 5.130 6.709 -0.893) 8.493 32.525 ( 1.508 0.919 0.614) 1.870 32.775 ( -1.236 -2.239 -3.296) 4.172 33.005 ( 0.016 -2.620 0.960) 2.790 33.240 ( 13.885 -9.124 1.179) 16.657 34.281 ( -1.409 -1.236 -6.695) 6.953 ======================= Grid point 25 (18/117) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -4.204 -7.458 6.517) 10.759 1.299 ( 9.327 -3.319 4.028) 10.688 1.482 ( 2.991 1.778 -3.397) 4.863 1.610 ( 0.803 1.070 0.123) 1.343 1.634 ( 4.754 -0.107 0.527) 4.784 1.948 ( -0.129 -1.958 -5.977) 6.291 2.000 ( 8.405 -10.041 -0.567) 13.107 2.065 ( 8.647 -5.840 0.375) 10.441 2.228 ( 9.177 0.333 -0.965) 9.234 2.304 ( 7.671 -1.528 1.837) 8.034 2.351 ( 1.128 -4.072 0.725) 4.287 2.559 ( 4.496 -3.302 2.394) 6.070 2.618 ( -4.952 1.116 7.075) 8.708 2.690 ( 3.790 -10.986 0.811) 11.649 2.778 ( 7.482 -1.070 -3.558) 8.354 2.947 ( 5.492 -4.837 -3.578) 8.146 3.017 ( 3.445 0.391 -0.363) 3.486 3.154 ( 2.575 1.085 -4.179) 5.027 3.200 ( 3.282 0.309 -0.013) 3.297 3.384 ( 10.352 0.491 0.935) 10.405 3.599 ( -0.419 1.361 -4.794) 5.001 3.697 ( 1.472 -5.088 -4.416) 6.896 3.853 ( 3.616 -1.268 4.539) 5.940 4.111 ( 8.837 0.624 5.418) 10.384 4.323 ( -0.604 0.652 -2.967) 3.098 4.533 ( -1.583 -2.575 3.800) 4.855 4.609 ( 1.047 2.310 5.467) 6.027 4.834 ( -2.699 2.131 -1.168) 3.632 4.935 ( 5.884 -0.954 -0.146) 5.963 5.163 ( -6.089 2.286 1.830) 6.757 5.340 ( -0.441 -1.311 -2.065) 2.485 5.458 ( 0.531 -3.170 3.402) 4.681 5.676 ( 4.109 1.357 -9.698) 10.620 5.905 ( -8.528 6.807 -1.392) 11.000 6.257 ( -5.825 -1.152 7.397) 9.486 6.399 ( -9.195 5.729 -7.527) 13.192 9.156 ( -1.925 1.125 -1.224) 2.543 9.235 ( -2.913 2.506 0.689) 3.904 9.487 ( -0.401 1.575 -0.897) 1.856 9.610 ( 1.175 -0.791 0.591) 1.534 9.972 ( -0.890 2.319 2.927) 3.839 10.260 ( 3.777 0.259 1.445) 4.052 11.634 ( -0.499 1.501 -2.161) 2.678 11.765 ( 1.267 -0.134 -0.143) 1.282 13.096 ( -0.449 -3.423 -0.172) 3.457 13.189 ( -0.046 -1.336 -0.237) 1.357 14.646 ( 0.179 -1.216 -1.053) 1.619 14.764 ( 2.134 2.261 -0.272) 3.121 14.797 ( 2.422 0.609 1.464) 2.895 14.942 ( -0.298 -2.256 -0.045) 2.276 15.007 ( -0.936 -2.543 5.906) 6.498 15.598 ( -9.463 2.098 -4.926) 10.873 16.140 ( 4.574 2.585 3.261) 6.184 16.241 ( 3.385 2.121 -0.203) 4.000 17.318 ( -0.695 -0.365 -0.553) 0.961 17.395 ( -1.001 -1.642 0.471) 1.980 20.362 ( 0.177 -1.472 0.664) 1.624 20.532 ( -0.493 -3.381 -2.262) 4.098 25.659 ( -2.243 1.105 6.749) 7.197 26.150 ( -16.629 10.377 -3.992) 20.003 28.492 ( 0.293 -0.111 -0.896) 0.949 28.504 ( -1.332 0.032 0.914) 1.616 29.603 ( -0.083 -0.772 -1.618) 1.794 29.625 ( -2.365 -0.396 1.520) 2.839 31.898 ( 2.909 1.222 -2.213) 3.855 32.154 ( 6.372 6.433 5.811) 10.759 32.261 ( 4.285 2.752 -1.705) 5.371 32.478 ( -0.868 4.000 -0.944) 4.201 32.797 ( 0.885 -1.294 -2.318) 2.798 33.017 ( 2.312 -0.170 -1.126) 2.577 33.617 ( 7.593 -17.031 9.201) 20.793 34.222 ( -4.356 1.705 -8.404) 9.618 ======================= Grid point 26 (19/117) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -3.140 -7.676 3.637) 9.056 1.426 ( 3.806 -3.114 -0.558) 4.949 1.453 ( 1.642 2.155 -0.793) 2.822 1.583 ( -2.016 0.978 -0.223) 2.252 1.677 ( -1.038 -1.341 -1.993) 2.617 2.020 ( 6.846 -3.545 1.523) 7.859 2.166 ( 2.731 -4.811 -3.772) 6.696 2.246 ( 6.111 -1.710 2.519) 6.828 2.268 ( 10.570 2.283 -0.079) 10.814 2.311 ( -2.551 2.517 3.677) 5.134 2.412 ( -0.789 -1.764 -2.201) 2.929 2.521 ( -2.194 2.548 5.627) 6.555 2.705 ( 9.828 2.335 3.501) 10.691 2.787 ( 0.587 -4.334 -0.036) 4.374 2.958 ( -2.704 -1.680 0.180) 3.189 2.984 ( 3.155 -8.046 -2.677) 9.047 3.077 ( 8.187 3.857 1.124) 9.119 3.258 ( 8.637 -0.112 -4.902) 9.932 3.281 ( 7.424 -13.519 -3.145) 15.741 3.484 ( 6.796 0.684 -0.908) 6.890 3.554 ( 0.002 1.030 -2.016) 2.264 3.798 ( 4.682 -3.941 -5.604) 8.298 3.894 ( 2.930 3.028 0.385) 4.231 4.118 ( -12.783 10.177 2.252) 16.495 4.265 ( 7.788 -5.176 5.673) 10.938 4.546 ( -2.204 1.027 7.411) 7.800 4.633 ( -0.092 -2.751 0.475) 2.794 4.749 ( -3.329 3.638 -5.584) 7.450 5.009 ( 6.451 -0.294 -0.009) 6.458 5.100 ( -1.720 1.749 0.756) 2.567 5.333 ( -1.214 0.416 -1.037) 1.650 5.471 ( -2.053 0.623 0.357) 2.175 5.629 ( -3.470 2.668 0.217) 4.382 5.770 ( -0.249 1.791 -5.128) 5.438 6.212 ( -8.729 2.899 -6.848) 11.467 6.285 ( -2.154 -3.526 8.569) 9.514 9.122 ( -0.926 0.606 -1.292) 1.701 9.187 ( -1.199 1.372 1.230) 2.198 9.457 ( -0.474 0.984 -1.112) 1.558 9.634 ( 1.610 -0.229 0.379) 1.670 9.934 ( -0.862 1.905 2.231) 3.058 10.273 ( 1.602 1.608 0.481) 2.320 11.601 ( -0.696 0.978 -1.825) 2.184 11.776 ( 1.049 0.246 0.593) 1.230 13.144 ( -0.227 -2.760 -0.555) 2.825 13.217 ( 0.078 -1.820 0.410) 1.868 14.675 ( -0.663 -2.760 -0.699) 2.924 14.745 ( 2.076 2.071 -1.057) 3.117 14.812 ( 2.224 0.782 1.394) 2.739 14.975 ( -0.658 -2.061 -0.129) 2.167 15.036 ( -1.147 -0.061 4.005) 4.166 15.491 ( -6.632 -0.822 -4.216) 7.902 16.134 ( 3.315 3.437 1.961) 5.162 16.232 ( 3.083 2.857 0.277) 4.212 17.321 ( -0.619 -0.848 -0.518) 1.170 17.413 ( -0.434 -1.111 0.381) 1.252 20.395 ( 0.562 -1.561 0.640) 1.778 20.576 ( -0.350 -2.935 -1.419) 3.279 25.652 ( -0.978 -0.600 3.656) 3.832 25.867 ( -8.595 7.302 -2.731) 11.604 28.493 ( -0.539 -0.332 -0.397) 0.748 28.498 ( -0.292 -0.056 0.384) 0.486 29.610 ( -0.500 -0.874 -0.899) 1.350 29.622 ( -1.032 -0.693 0.813) 1.485 31.893 ( 2.158 1.576 -1.518) 3.073 32.116 ( 4.381 6.106 5.136) 9.102 32.237 ( 2.027 3.392 -2.120) 4.484 32.375 ( -1.577 6.038 -2.024) 6.560 32.817 ( 3.289 0.474 -1.520) 3.654 33.065 ( 0.753 -2.873 2.337) 3.779 33.973 ( 4.306 -13.564 8.755) 16.709 34.113 ( -5.359 0.809 -9.488) 10.927 ======================= Grid point 27 (20/117) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.326 -5.541 1.576) 5.770 1.426 ( 2.334 1.823 -0.653) 3.032 1.496 ( -0.507 -0.057 1.193) 1.298 1.552 ( -1.059 -1.474 -0.812) 1.989 1.662 ( -3.049 -1.395 -2.305) 4.069 2.123 ( 0.369 4.422 0.020) 4.438 2.156 ( -0.196 0.532 3.458) 3.504 2.257 ( 6.051 3.007 -0.083) 6.757 2.270 ( -0.951 1.244 2.256) 2.747 2.355 ( 5.890 0.461 1.987) 6.233 2.464 ( 0.025 -0.967 -0.791) 1.249 2.508 ( 3.033 -3.171 0.549) 4.422 2.696 ( 5.727 4.358 0.584) 7.220 2.855 ( -6.250 2.470 -0.292) 6.727 2.935 ( 4.416 -0.678 3.774) 5.848 3.057 ( 3.981 2.071 2.257) 5.023 3.162 ( 0.158 -7.432 -3.306) 8.136 3.300 ( 7.012 2.064 -4.235) 8.448 3.452 ( 1.976 5.542 -1.216) 6.008 3.546 ( -1.344 2.021 -2.300) 3.344 3.597 ( 12.907 -7.129 -6.009) 15.922 3.667 ( -10.816 11.236 0.076) 15.596 3.857 ( 3.054 1.119 -0.989) 3.399 3.972 ( 3.868 2.781 0.092) 4.765 4.387 ( 2.031 1.877 2.574) 3.778 4.478 ( -11.395 3.537 5.532) 13.151 4.667 ( -0.131 -0.763 -2.159) 2.294 4.700 ( -0.424 -6.106 -1.721) 6.358 4.996 ( -1.356 5.819 -0.910) 6.044 5.124 ( 5.606 -3.437 3.573) 7.484 5.324 ( -1.030 -1.428 0.688) 1.890 5.432 ( -2.485 1.264 -1.157) 3.019 5.563 ( -4.437 0.330 5.941) 7.422 5.767 ( 3.730 -0.165 -6.521) 7.515 6.083 ( -6.072 1.328 -6.751) 9.176 6.394 ( 0.132 -7.550 7.192) 10.428 9.116 ( 0.047 -0.847 -0.678) 1.086 9.168 ( -0.353 0.440 1.129) 1.262 9.441 ( -0.342 0.065 -1.187) 1.237 9.650 ( 1.781 0.338 -0.000) 1.812 9.907 ( -0.905 0.921 2.028) 2.404 10.242 ( -0.063 2.800 -0.660) 2.878 11.576 ( -0.647 0.595 -1.282) 1.554 11.781 ( 0.656 0.457 0.698) 1.062 13.182 ( 0.069 -1.959 -0.361) 1.993 13.249 ( 0.194 -1.495 0.367) 1.551 14.717 ( -1.068 -1.633 3.418) 3.936 14.731 ( 1.278 -0.324 -4.053) 4.262 14.824 ( 1.908 0.611 1.708) 2.632 14.977 ( -0.100 1.882 -0.875) 2.078 15.030 ( -1.394 -0.646 1.003) 1.835 15.473 ( -3.856 -4.051 -2.569) 6.154 16.103 ( 1.752 3.581 1.004) 4.111 16.205 ( 2.389 3.366 0.411) 4.148 17.330 ( -0.457 -0.982 -0.214) 1.104 17.427 ( 0.059 -0.716 0.240) 0.757 20.421 ( 0.362 -0.546 0.323) 0.731 20.618 ( 0.017 -2.506 -0.445) 2.545 25.686 ( -0.900 -0.799 0.753) 1.420 25.720 ( -2.375 0.160 -0.620) 2.459 28.493 ( -0.713 -0.357 0.733) 1.083 28.502 ( 0.261 -0.454 -0.759) 0.922 29.622 ( -0.482 -1.199 0.361) 1.342 29.629 ( -0.093 -0.717 -0.394) 0.823 31.880 ( 1.392 1.548 -0.980) 2.301 32.061 ( 2.426 5.967 4.608) 7.920 32.172 ( -0.177 4.356 -2.795) 5.179 32.241 ( -2.514 6.361 -1.723) 7.053 32.836 ( 3.709 0.985 -1.700) 4.197 33.123 ( -0.406 -1.945 5.649) 5.988 33.973 ( -3.833 3.165 -8.924) 10.215 34.285 ( 2.446 -12.936 5.836) 14.401 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -0.482 5.696 0.798) 5.772 1.438 ( 0.668 2.688 -0.451) 2.806 1.452 ( 0.068 -0.546 1.135) 1.261 1.612 ( 0.586 -4.206 -0.464) 4.272 1.691 ( -1.970 -4.136 -0.877) 4.665 1.966 ( -2.980 7.692 1.688) 8.420 2.118 ( 2.737 8.092 -1.570) 8.685 2.248 ( 0.300 1.853 1.589) 2.459 2.282 ( 4.501 1.698 -1.093) 4.933 2.370 ( 1.582 2.544 2.538) 3.926 2.438 ( -1.749 2.210 1.552) 3.217 2.566 ( 3.957 7.011 2.593) 8.458 2.692 ( 0.887 0.127 1.551) 1.791 2.747 ( -2.416 -1.330 -3.670) 4.591 2.944 ( -0.661 6.934 -2.780) 7.499 3.040 ( 2.448 5.442 3.829) 7.090 3.187 ( -1.230 2.955 -0.162) 3.205 3.306 ( -4.965 2.883 -3.557) 6.754 3.336 ( 1.273 -1.093 -2.643) 3.131 3.422 ( 0.523 3.241 2.563) 4.165 3.507 ( -2.340 2.468 0.652) 3.463 3.780 ( 8.670 7.642 -7.331) 13.686 3.855 ( 5.386 0.098 -0.654) 5.426 3.918 ( 5.192 5.402 -4.447) 8.713 4.235 ( -17.889 6.188 11.470) 22.133 4.396 ( 1.406 -0.721 -2.927) 3.326 4.654 ( -0.640 0.805 -0.858) 1.339 4.792 ( 0.345 -0.240 -0.760) 0.869 4.872 ( -0.685 5.116 0.367) 5.175 5.291 ( 5.499 -5.523 3.637) 8.600 5.348 ( -1.715 0.235 2.487) 3.030 5.405 ( -1.618 -5.506 -2.040) 6.090 5.580 ( -1.737 -4.043 2.935) 5.289 5.788 ( 2.398 -0.082 -3.137) 3.950 6.015 ( -3.355 -1.310 -5.082) 6.229 6.579 ( 1.444 -10.786 4.405) 11.740 9.147 ( 0.293 -2.540 -0.416) 2.590 9.171 ( 0.190 -0.694 0.982) 1.217 9.443 ( -0.132 -1.068 -0.928) 1.421 9.653 ( 1.300 1.149 -0.201) 1.746 9.898 ( -0.789 -0.082 1.472) 1.672 10.181 ( -0.648 3.414 -0.958) 3.604 11.559 ( -0.469 0.485 -0.703) 0.974 11.779 ( 0.274 0.428 0.439) 0.671 13.210 ( 0.167 -1.243 0.030) 1.255 13.269 ( 0.279 -0.485 0.048) 0.561 14.709 ( 0.223 1.225 0.766) 1.462 14.761 ( -0.282 -1.243 -0.498) 1.369 14.837 ( 1.059 0.555 3.299) 3.509 14.928 ( -0.191 1.980 -3.866) 4.347 15.028 ( -0.782 0.278 0.113) 0.838 15.529 ( -1.611 -6.040 -1.135) 6.354 16.058 ( 0.405 3.021 0.373) 3.071 16.172 ( 1.445 2.689 0.390) 3.078 17.341 ( -0.230 -0.602 0.028) 0.646 17.440 ( 0.217 -0.631 0.071) 0.671 20.422 ( 0.115 0.637 0.032) 0.648 20.658 ( 0.266 -2.005 0.140) 2.027 25.633 ( -0.805 1.748 -0.717) 2.054 25.846 ( 0.857 -11.545 0.522) 11.588 28.494 ( -0.241 -0.162 0.389) 0.486 28.513 ( 0.152 -0.861 -0.414) 0.968 29.634 ( -0.260 -0.500 0.678) 0.882 29.648 ( 0.293 -1.529 -0.659) 1.691 31.865 ( 0.917 1.110 -0.604) 1.561 31.993 ( 1.759 5.639 3.416) 6.824 32.071 ( -3.140 4.266 -3.316) 6.249 32.116 ( -1.783 5.371 0.003) 5.660 32.839 ( 2.015 1.539 -1.279) 2.840 33.155 ( -0.281 -0.354 5.014) 5.034 33.846 ( -2.249 5.967 -6.469) 9.084 34.518 ( 1.979 -10.111 3.344) 10.832 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 11.462 -0.000) 11.462 1.361 ( -0.000 6.869 -0.000) 6.869 1.495 ( 0.000 -3.379 0.000) 3.379 1.642 ( -0.000 8.768 -0.000) 8.768 1.685 ( 0.000 -3.876 0.000) 3.876 1.875 ( -0.000 2.744 -0.000) 2.744 1.946 ( -0.000 12.855 -0.000) 12.855 2.134 ( -0.000 12.365 -0.000) 12.365 2.244 ( -0.000 5.645 -0.000) 5.645 2.391 ( 0.000 -3.851 0.000) 3.851 2.394 ( -0.000 1.201 -0.000) 1.201 2.410 ( -0.000 9.502 -0.000) 9.502 2.723 ( 0.000 -0.752 0.000) 0.752 2.736 ( -0.000 2.036 -0.000) 2.036 2.806 ( -0.000 5.851 -0.000) 5.851 2.967 ( -0.000 4.927 -0.000) 4.927 3.084 ( -0.000 7.673 -0.000) 7.673 3.145 ( -0.000 15.990 -0.000) 15.990 3.319 ( -0.000 0.144 -0.000) 0.144 3.465 ( 0.000 -8.279 0.000) 8.279 3.489 ( -0.000 3.357 -0.000) 3.357 3.626 ( -0.000 8.028 -0.000) 8.028 3.817 ( -0.000 1.703 -0.000) 1.703 3.951 ( -0.000 4.883 -0.000) 4.883 4.020 ( -0.000 5.251 -0.000) 5.251 4.433 ( 0.000 -2.232 0.000) 2.232 4.673 ( 0.000 -4.714 0.000) 4.714 4.687 ( -0.000 8.321 -0.000) 8.321 4.836 ( -0.000 1.886 -0.000) 1.886 5.287 ( -0.000 2.293 -0.000) 2.293 5.408 ( 0.000 -2.489 0.000) 2.489 5.477 ( -0.000 0.728 -0.000) 0.728 5.735 ( 0.000 -15.049 0.000) 15.049 5.791 ( -0.000 0.394 -0.000) 0.394 6.045 ( 0.000 -4.889 0.000) 4.889 6.791 ( 0.000 -11.685 0.000) 11.685 9.182 ( 0.000 -1.596 0.000) 1.596 9.223 ( 0.000 -4.823 0.000) 4.823 9.469 ( 0.000 -2.157 0.000) 2.157 9.631 ( -0.000 2.260 -0.000) 2.260 9.902 ( 0.000 -0.565 0.000) 0.565 10.118 ( -0.000 3.147 -0.000) 3.147 11.546 ( -0.000 0.618 -0.000) 0.618 11.776 ( -0.000 0.075 -0.000) 0.075 13.226 ( 0.000 -0.449 0.000) 0.449 13.270 ( -0.000 0.575 -0.000) 0.575 14.692 ( -0.000 0.982 -0.000) 0.982 14.742 ( -0.000 2.921 -0.000) 2.921 14.847 ( -0.000 0.240 -0.000) 0.240 14.898 ( -0.000 0.294 -0.000) 0.294 15.003 ( -0.000 2.064 -0.000) 2.064 15.632 ( 0.000 -6.844 0.000) 6.844 16.015 ( -0.000 2.139 -0.000) 2.139 16.149 ( -0.000 0.962 -0.000) 0.962 17.344 ( -0.000 0.073 -0.000) 0.073 17.453 ( 0.000 -0.628 0.000) 0.628 20.407 ( -0.000 0.944 -0.000) 0.944 20.688 ( 0.000 -1.249 0.000) 1.249 25.613 ( -0.000 0.197 -0.000) 0.197 26.122 ( 0.000 -20.209 0.000) 20.209 28.496 ( 0.000 -0.073 0.000) 0.073 28.529 ( 0.000 -0.851 0.000) 0.851 29.642 ( 0.000 -0.418 0.000) 0.418 29.676 ( 0.000 -1.472 0.000) 1.472 31.856 ( -0.000 0.548 -0.000) 0.548 31.930 ( -0.000 3.836 -0.000) 3.836 31.975 ( -0.000 2.950 -0.000) 2.950 32.022 ( -0.000 4.500 -0.000) 4.500 32.817 ( -0.000 1.796 -0.000) 1.796 33.155 ( -0.000 1.369 -0.000) 1.369 33.677 ( -0.000 11.633 -0.000) 11.633 34.682 ( 0.000 -7.232 0.000) 7.232 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.236 -0.000 12.073) 12.278 1.239 ( 10.085 0.000 2.173) 10.317 1.557 ( -1.686 -0.000 -10.759) 10.891 1.668 ( 2.467 0.000 -1.410) 2.842 1.721 ( 13.997 0.000 0.137) 13.998 1.741 ( 12.636 0.000 4.207) 13.318 1.771 ( 10.141 0.000 6.347) 11.964 1.945 ( -6.141 -0.000 -1.025) 6.226 2.035 ( 2.017 0.000 -0.237) 2.031 2.310 ( 11.193 0.000 0.056) 11.193 2.316 ( 3.823 0.000 -4.801) 6.137 2.457 ( 9.733 0.000 0.683) 9.757 2.489 ( 11.898 0.000 1.503) 11.993 2.712 ( -13.740 -0.000 6.828) 15.343 2.722 ( 4.394 0.000 1.315) 4.586 2.780 ( 14.009 0.000 -8.569) 16.422 3.117 ( 7.029 0.000 -1.507) 7.189 3.222 ( 4.857 0.000 -5.724) 7.507 3.311 ( 1.880 0.000 4.538) 4.912 3.381 ( -2.136 -0.000 -1.665) 2.708 3.484 ( 2.710 0.000 -9.928) 10.292 3.762 ( 3.205 0.000 -2.338) 3.967 3.785 ( 1.770 0.000 10.047) 10.202 4.114 ( 9.003 0.000 -1.223) 9.086 4.290 ( 8.439 0.000 3.163) 9.012 4.480 ( -1.484 -0.000 1.206) 1.912 4.691 ( -2.520 -0.000 -1.533) 2.950 4.703 ( 2.882 0.000 1.387) 3.199 5.105 ( 3.981 0.000 11.425) 12.099 5.181 ( -7.571 -0.000 2.019) 7.835 5.250 ( -0.051 -0.000 -3.928) 3.928 5.343 ( 1.501 0.000 2.190) 2.655 5.715 ( 7.796 0.000 -9.798) 12.521 6.052 ( -9.691 -0.000 -1.489) 9.805 6.228 ( -11.409 -0.000 0.253) 11.412 6.560 ( -10.576 -0.000 -3.847) 11.254 9.181 ( -2.455 -0.000 -0.064) 2.455 9.292 ( -4.807 -0.000 -0.865) 4.884 9.548 ( -0.620 -0.000 -1.481) 1.606 9.563 ( 1.502 0.000 1.105) 1.865 10.027 ( -1.955 -0.000 5.871) 6.188 10.259 ( 5.916 0.000 0.736) 5.962 11.674 ( -1.744 -0.000 -4.239) 4.583 11.755 ( 2.444 0.000 0.033) 2.444 13.020 ( 0.582 0.000 0.376) 0.693 13.165 ( -0.089 -0.000 -0.797) 0.801 14.638 ( 0.574 0.000 -0.873) 1.045 14.804 ( 3.283 0.000 1.816) 3.752 14.848 ( -0.046 -0.000 0.704) 0.705 14.854 ( 0.396 0.000 5.267) 5.282 14.955 ( 1.024 0.000 0.138) 1.034 15.649 ( -10.738 -0.000 -4.793) 11.759 16.191 ( 5.149 0.000 5.339) 7.418 16.277 ( 2.132 0.000 -1.726) 2.743 17.333 ( -1.398 -0.000 -0.790) 1.605 17.335 ( -0.456 -0.000 0.894) 1.004 20.336 ( -0.560 -0.000 0.844) 1.013 20.454 ( 0.868 0.000 -2.578) 2.720 25.688 ( -3.508 -0.000 9.531) 10.156 26.363 ( -24.298 -0.000 -4.848) 24.777 28.492 ( 0.534 0.000 -0.558) 0.773 28.505 ( -1.386 -0.000 0.556) 1.493 29.586 ( 0.126 0.000 -1.183) 1.190 29.618 ( -2.687 -0.000 1.168) 2.930 31.922 ( 3.532 0.000 -2.662) 4.423 32.264 ( 6.448 0.000 3.499) 7.336 32.379 ( 0.020 0.000 -1.738) 1.738 32.588 ( 2.180 0.000 5.621) 6.029 32.743 ( -1.422 -0.000 -0.013) 1.422 32.904 ( -1.008 -0.000 0.348) 1.067 33.323 ( 13.733 0.000 -4.582) 14.478 34.270 ( 1.289 0.000 -3.789) 4.003 ======================= Grid point 35 (24/117) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -5.807 -4.918 7.958) 11.011 1.329 ( 4.653 -2.126 -0.963) 5.205 1.513 ( 0.875 0.084 -8.280) 8.326 1.639 ( -0.825 2.569 0.233) 2.709 1.729 ( 0.157 4.137 -0.346) 4.154 1.903 ( 9.253 0.594 5.481) 10.771 1.948 ( 8.243 -7.672 -2.204) 11.475 2.039 ( 10.536 -10.109 3.332) 14.977 2.175 ( 5.190 -8.481 1.949) 10.132 2.317 ( 2.447 0.915 -3.259) 4.177 2.413 ( 1.510 -2.491 -1.187) 3.146 2.487 ( 2.160 2.171 4.248) 5.237 2.610 ( -3.451 -0.039 4.506) 5.676 2.675 ( 9.805 -5.010 5.254) 12.200 2.789 ( -0.466 -4.674 -2.198) 5.186 2.921 ( 14.609 -2.452 -8.478) 17.068 3.117 ( 0.130 6.811 1.863) 7.062 3.203 ( 5.944 1.550 -4.252) 7.470 3.292 ( 6.516 3.809 -2.203) 7.862 3.438 ( 3.566 -3.208 -0.603) 4.834 3.547 ( 1.026 -7.334 -12.894) 14.869 3.711 ( 6.738 7.463 1.914) 10.235 3.896 ( 5.939 -2.444 6.610) 9.217 4.207 ( 7.651 -0.708 1.512) 7.831 4.339 ( -3.110 3.448 3.749) 5.968 4.464 ( -3.765 -3.707 4.673) 7.054 4.652 ( 0.033 0.574 -0.410) 0.706 4.790 ( 1.193 -2.709 0.474) 2.998 5.037 ( 0.471 5.099 0.051) 5.121 5.161 ( -0.575 1.441 4.496) 4.756 5.284 ( -0.159 -3.167 -2.658) 4.138 5.416 ( 2.574 -3.393 1.704) 4.587 5.732 ( 5.038 2.228 -8.860) 10.433 5.902 ( -10.691 4.399 -1.418) 11.648 6.144 ( -11.090 -2.843 2.006) 11.624 6.406 ( -8.288 4.806 -1.909) 9.769 9.151 ( -1.930 0.748 -0.465) 2.121 9.239 ( -2.915 1.185 -0.202) 3.153 9.514 ( -0.248 2.049 -0.928) 2.263 9.601 ( 1.121 -1.588 0.476) 2.001 10.009 ( -1.426 1.804 4.338) 4.910 10.309 ( 4.045 0.418 0.909) 4.166 11.638 ( -1.188 0.910 -3.240) 3.569 11.778 ( 1.665 -0.139 0.175) 1.680 13.046 ( 0.364 -2.129 0.260) 2.176 13.169 ( -0.022 -0.803 -0.524) 0.959 14.638 ( 0.238 0.187 -0.913) 0.962 14.822 ( 1.535 1.731 2.108) 3.129 14.838 ( 2.810 0.722 0.230) 2.910 14.904 ( -0.390 -1.936 1.754) 2.642 14.976 ( 0.332 -1.772 2.163) 2.816 15.524 ( -8.923 1.437 -4.712) 10.193 16.236 ( 4.224 1.928 4.177) 6.245 16.288 ( 2.149 0.547 -1.098) 2.475 17.309 ( -0.798 0.374 -0.516) 1.021 17.356 ( -0.737 -1.892 0.393) 2.068 20.345 ( 0.256 -0.936 0.717) 1.207 20.475 ( 0.428 -2.234 -2.082) 3.084 25.674 ( -2.613 0.911 6.714) 7.262 26.099 ( -16.680 4.650 -4.502) 17.892 28.492 ( -0.413 0.181 -0.201) 0.494 28.496 ( -0.266 -0.048 0.174) 0.322 29.589 ( 0.045 -0.395 -0.986) 1.063 29.599 ( -2.189 -0.402 0.988) 2.435 31.940 ( 3.048 0.888 -2.026) 3.766 32.312 ( 5.077 2.667 3.510) 6.724 32.339 ( 1.228 3.273 -1.419) 3.773 32.562 ( 0.315 5.925 4.966) 7.737 32.723 ( -1.342 -3.477 -4.306) 5.695 32.985 ( -1.853 -5.381 -0.028) 5.691 33.503 ( 11.024 -8.090 1.824) 13.795 34.236 ( -0.260 3.669 -3.949) 5.397 ======================= Grid point 36 (25/117) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -5.076 -7.957 2.736) 9.826 1.401 ( 2.195 -2.948 -1.390) 3.930 1.504 ( 2.025 1.315 -3.166) 3.982 1.594 ( -0.735 1.827 -0.072) 1.970 1.655 ( -3.192 0.979 -1.893) 3.838 2.030 ( 9.792 -2.535 4.887) 11.234 2.110 ( 2.227 -3.574 0.731) 4.274 2.272 ( 5.521 -2.746 2.030) 6.492 2.302 ( 1.235 0.356 -0.856) 1.544 2.346 ( 0.565 -3.965 -0.255) 4.013 2.449 ( 3.583 1.864 0.558) 4.077 2.481 ( -4.269 -9.149 1.802) 10.256 2.657 ( 4.316 -0.801 0.711) 4.447 2.810 ( -2.725 -0.109 -1.377) 3.055 2.894 ( 5.447 -5.812 4.707) 9.252 3.054 ( 7.550 1.348 4.416) 8.850 3.107 ( 6.517 -10.396 -4.253) 12.986 3.240 ( 10.009 5.141 -4.534) 12.131 3.310 ( 8.767 -1.134 -1.519) 8.970 3.492 ( -0.956 -1.563 -2.393) 3.014 3.621 ( 0.654 -2.979 -8.392) 8.929 3.703 ( 7.252 0.398 -3.234) 7.951 3.987 ( 1.728 2.731 2.412) 4.033 4.148 ( -9.527 5.628 5.599) 12.402 4.313 ( 8.313 -0.776 4.518) 9.494 4.517 ( -3.263 -2.526 4.267) 5.936 4.649 ( -1.017 0.666 0.818) 1.466 4.755 ( -2.561 4.107 -2.699) 5.541 5.039 ( 2.729 -1.778 -2.108) 3.880 5.144 ( 2.490 2.728 3.008) 4.763 5.305 ( -1.569 -1.007 -3.128) 3.642 5.463 ( 0.348 0.100 -0.149) 0.392 5.662 ( -5.327 4.829 2.120) 7.496 5.780 ( 1.532 1.003 -7.203) 7.432 6.099 ( -11.157 -2.956 1.738) 11.672 6.278 ( -2.588 2.436 1.083) 3.715 9.120 ( -1.076 0.766 -0.764) 1.526 9.200 ( -1.229 1.141 0.504) 1.751 9.475 ( -0.264 1.810 -0.856) 2.020 9.637 ( 1.134 -1.127 0.237) 1.616 9.970 ( -0.931 2.412 2.560) 3.638 10.323 ( 1.997 1.730 0.550) 2.699 11.605 ( -0.750 0.957 -2.001) 2.341 11.791 ( 1.000 0.123 0.391) 1.081 13.093 ( 0.093 -2.872 -0.059) 2.874 13.189 ( 0.081 -1.578 -0.047) 1.581 14.637 ( -0.388 -0.715 -0.825) 1.159 14.808 ( 2.199 2.675 0.241) 3.471 14.851 ( 2.264 0.810 0.456) 2.447 14.926 ( -1.288 -2.027 0.077) 2.403 15.025 ( -0.211 -1.971 3.339) 3.883 15.416 ( -5.832 0.720 -3.645) 6.915 16.233 ( 2.891 3.459 2.141) 4.991 16.291 ( 1.855 1.304 -0.146) 2.272 17.302 ( -0.566 -0.440 -0.485) 0.866 17.384 ( -0.436 -1.834 0.294) 1.908 20.374 ( 0.544 -1.683 0.573) 1.859 20.518 ( 0.018 -2.993 -1.327) 3.274 25.654 ( -1.428 0.745 3.638) 3.978 25.879 ( -8.703 5.100 -2.806) 10.470 28.483 ( -0.696 0.020 0.098) 0.704 28.497 ( 0.120 0.011 -0.137) 0.182 29.588 ( -1.131 -0.666 0.191) 1.326 29.602 ( -0.283 -0.820 -0.201) 0.890 31.938 ( 2.061 1.652 -1.321) 2.953 32.278 ( 3.062 5.294 3.188) 6.897 32.307 ( 1.534 3.577 -0.388) 3.912 32.459 ( -0.684 6.520 0.193) 6.559 32.791 ( 0.378 -4.866 -2.561) 5.512 33.035 ( -0.055 -2.767 0.338) 2.788 33.787 ( 5.015 -13.838 4.755) 15.468 34.124 ( -1.860 6.142 -4.647) 7.923 ======================= Grid point 37 (26/117) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -1.999 -9.630 0.598) 9.853 1.462 ( 0.816 -2.127 -0.488) 2.330 1.490 ( 2.116 1.019 -0.809) 2.484 1.549 ( -1.617 2.289 0.513) 2.849 1.633 ( -1.259 -0.602 -1.224) 1.856 2.128 ( -3.359 -0.074 1.583) 3.714 2.172 ( 5.361 -2.565 4.096) 7.218 2.273 ( -0.305 -0.206 -2.883) 2.906 2.328 ( 1.238 1.153 2.130) 2.720 2.386 ( 0.985 -2.536 -2.827) 3.923 2.426 ( 1.116 2.483 1.034) 2.912 2.598 ( 6.635 0.360 2.929) 7.262 2.736 ( -3.589 -2.155 -3.318) 5.342 2.816 ( 0.999 -4.207 1.186) 4.483 2.906 ( -3.486 -1.312 0.093) 3.726 3.179 ( 6.783 4.233 -2.326) 8.327 3.183 ( 10.283 1.585 7.734) 12.964 3.370 ( 4.731 0.843 -3.126) 5.733 3.456 ( 4.627 -8.193 -1.955) 9.610 3.518 ( 2.887 -3.192 -3.683) 5.664 3.640 ( 4.759 0.438 -0.162) 4.782 3.708 ( -13.537 6.061 -0.040) 14.832 3.793 ( -4.433 -3.246 -1.900) 5.814 4.134 ( 12.226 5.117 -1.584) 13.348 4.418 ( 3.391 -0.549 0.105) 3.436 4.468 ( -10.626 4.648 8.131) 14.164 4.600 ( -2.901 -1.954 -2.652) 4.389 4.674 ( 0.281 1.908 -0.051) 1.929 5.051 ( -0.521 1.885 -0.934) 2.167 5.159 ( 4.660 -0.051 2.347) 5.218 5.284 ( -2.398 -0.714 -2.766) 3.730 5.441 ( -0.166 2.309 -0.305) 2.335 5.555 ( -4.523 1.779 3.399) 5.931 5.794 ( 4.601 0.414 -4.490) 6.442 6.029 ( -6.629 0.293 -0.935) 6.701 6.295 ( -0.508 -4.782 2.758) 5.544 9.105 ( -0.294 -0.055 -0.461) 0.550 9.178 ( -0.316 0.765 0.532) 0.984 9.445 ( -0.185 1.102 -0.609) 1.273 9.662 ( 0.896 -0.569 0.026) 1.062 9.930 ( -0.573 1.992 1.270) 2.431 10.294 ( 0.493 2.989 -0.040) 3.029 11.580 ( -0.378 0.784 -0.885) 1.241 11.795 ( 0.448 0.385 0.338) 0.680 13.141 ( 0.031 -2.696 -0.183) 2.702 13.221 ( 0.090 -1.945 0.168) 1.954 14.657 ( -0.493 -2.568 -0.390) 2.643 14.776 ( 1.174 2.789 -0.221) 3.034 14.854 ( 1.147 0.861 0.670) 1.583 14.959 ( -0.671 -2.659 -0.171) 2.747 15.038 ( -0.373 1.106 1.337) 1.775 15.379 ( -2.560 -2.232 -1.754) 3.822 16.191 ( 1.366 4.319 0.813) 4.602 16.274 ( 1.104 2.443 0.077) 2.682 17.309 ( -0.298 -0.956 -0.227) 1.027 17.410 ( -0.098 -1.398 0.155) 1.410 20.408 ( 0.310 -1.420 0.287) 1.481 20.567 ( -0.039 -3.096 -0.505) 3.137 25.653 ( -0.405 -1.129 1.295) 1.765 25.741 ( -3.015 3.980 -1.086) 5.110 28.481 ( -0.398 -0.358 0.130) 0.550 28.498 ( 0.075 -0.106 -0.152) 0.200 29.596 ( -0.450 -1.215 0.128) 1.302 29.614 ( -0.116 -0.832 -0.141) 0.852 31.918 ( 0.942 1.920 -0.638) 2.232 32.214 ( 1.903 6.762 4.484) 8.334 32.249 ( 1.371 4.025 -1.503) 4.510 32.322 ( -2.289 7.460 -2.442) 8.176 32.855 ( 1.410 -1.975 -1.463) 2.833 33.092 ( 0.214 -2.991 2.423) 3.855 33.990 ( -1.859 5.132 -3.860) 6.685 34.077 ( 1.602 -14.747 2.918) 15.118 ======================= Grid point 38 (27/117) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 -7.818 0.000) 7.818 1.458 ( -0.000 1.160 -0.000) 1.160 1.486 ( -0.000 3.837 -0.000) 3.837 1.542 ( 0.000 -3.959 0.000) 3.959 1.625 ( 0.000 -0.311 0.000) 0.311 2.068 ( -0.000 5.284 -0.000) 5.284 2.235 ( 0.000 -1.700 0.000) 1.700 2.242 ( -0.000 4.292 -0.000) 4.292 2.325 ( -0.000 0.033 -0.000) 0.033 2.394 ( -0.000 1.880 -0.000) 1.880 2.472 ( 0.000 -5.129 0.000) 5.129 2.653 ( -0.000 2.583 -0.000) 2.583 2.662 ( -0.000 3.506 -0.000) 3.506 2.766 ( -0.000 0.394 -0.000) 0.394 3.077 ( 0.000 -9.823 0.000) 9.823 3.135 ( -0.000 4.514 -0.000) 4.514 3.170 ( -0.000 10.464 -0.000) 10.464 3.322 ( -0.000 8.939 -0.000) 8.939 3.355 ( -0.000 1.803 -0.000) 1.803 3.507 ( -0.000 1.254 -0.000) 1.254 3.555 ( -0.000 5.431 -0.000) 5.431 3.822 ( 0.000 -4.505 0.000) 4.505 3.875 ( 0.000 -5.947 0.000) 5.947 4.099 ( -0.000 8.269 -0.000) 8.269 4.243 ( -0.000 8.502 -0.000) 8.502 4.412 ( -0.000 2.074 -0.000) 2.074 4.664 ( -0.000 0.438 -0.000) 0.438 4.704 ( 0.000 -8.446 0.000) 8.446 4.975 ( -0.000 5.958 -0.000) 5.958 5.241 ( 0.000 -5.324 0.000) 5.324 5.284 ( 0.000 -2.407 0.000) 2.407 5.385 ( -0.000 3.267 -0.000) 3.267 5.541 ( 0.000 -1.215 0.000) 1.215 5.803 ( -0.000 0.535 -0.000) 0.535 5.983 ( -0.000 0.564 -0.000) 0.564 6.419 ( 0.000 -8.953 0.000) 8.953 9.114 ( 0.000 -1.281 0.000) 1.281 9.169 ( -0.000 0.186 -0.000) 0.186 9.433 ( -0.000 0.085 -0.000) 0.085 9.671 ( -0.000 0.161 -0.000) 0.161 9.903 ( -0.000 0.972 -0.000) 0.972 10.238 ( -0.000 3.619 -0.000) 3.619 11.565 ( -0.000 0.600 -0.000) 0.600 11.790 ( -0.000 0.543 -0.000) 0.543 13.182 ( 0.000 -2.091 0.000) 2.091 13.252 ( 0.000 -1.552 0.000) 1.552 14.710 ( 0.000 -3.645 0.000) 3.645 14.740 ( -0.000 2.040 -0.000) 2.040 14.851 ( -0.000 0.297 -0.000) 0.297 14.972 ( -0.000 2.148 -0.000) 2.148 15.017 ( 0.000 -0.358 0.000) 0.358 15.425 ( 0.000 -4.689 0.000) 4.689 16.125 ( -0.000 4.215 -0.000) 4.215 16.231 ( -0.000 3.161 -0.000) 3.161 17.325 ( 0.000 -1.069 0.000) 1.069 17.429 ( 0.000 -0.886 0.000) 0.886 20.426 ( 0.000 -0.374 0.000) 0.374 20.617 ( 0.000 -2.797 0.000) 2.797 25.665 ( -0.000 2.545 -0.000) 2.545 25.709 ( 0.000 -5.053 0.000) 5.053 28.488 ( 0.000 -0.533 0.000) 0.533 28.502 ( 0.000 -0.420 0.000) 0.420 29.618 ( 0.000 -1.419 0.000) 1.419 29.627 ( 0.000 -0.847 0.000) 0.847 31.891 ( -0.000 1.612 -0.000) 1.612 32.124 ( -0.000 5.742 -0.000) 5.742 32.148 ( -0.000 8.513 -0.000) 8.513 32.195 ( -0.000 4.689 -0.000) 4.689 32.869 ( -0.000 0.756 -0.000) 0.756 33.140 ( 0.000 -1.938 0.000) 1.938 33.901 ( -0.000 3.689 -0.000) 3.689 34.331 ( 0.000 -13.298 0.000) 13.298 ======================= Grid point 45 (28/117) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -8.419 -0.000 3.282) 9.036 1.332 ( 1.958 0.000 -2.183) 2.932 1.497 ( 3.271 0.000 -7.016) 7.741 1.667 ( -0.318 -0.000 0.550) 0.635 1.733 ( -5.963 -0.000 -0.993) 6.045 1.943 ( 0.409 0.000 -1.683) 1.731 1.962 ( 11.163 0.000 0.894) 11.198 2.122 ( 13.383 0.000 10.473) 16.994 2.195 ( 10.422 0.000 3.619) 11.033 2.343 ( -2.681 -0.000 2.595) 3.731 2.360 ( -0.762 -0.000 -1.986) 2.127 2.487 ( -7.248 -0.000 -0.112) 7.249 2.644 ( 5.524 0.000 -0.892) 5.595 2.728 ( -1.629 -0.000 -0.367) 1.670 2.734 ( 11.678 0.000 4.430) 12.490 3.014 ( 9.789 0.000 -3.257) 10.317 3.199 ( -1.551 -0.000 -0.245) 1.570 3.220 ( -3.550 -0.000 -4.063) 5.395 3.371 ( 7.084 0.000 -0.616) 7.111 3.446 ( 4.482 0.000 0.067) 4.483 3.494 ( 12.713 0.000 -17.828) 21.897 3.837 ( -0.906 -0.000 5.017) 5.098 3.973 ( 13.209 0.000 3.770) 13.736 4.270 ( 7.623 0.000 -1.488) 7.767 4.286 ( -18.392 -0.000 8.014) 20.062 4.452 ( 4.569 0.000 7.192) 8.521 4.634 ( -2.334 -0.000 -3.262) 4.010 4.809 ( 4.700 0.000 1.236) 4.859 5.040 ( -4.773 -0.000 -3.637) 6.001 5.212 ( 1.448 0.000 5.409) 5.599 5.260 ( 2.201 0.000 -0.017) 2.201 5.432 ( 6.253 0.000 -0.455) 6.270 5.774 ( 4.780 0.000 -8.870) 10.076 5.828 ( -12.601 -0.000 0.100) 12.601 6.004 ( -11.223 -0.000 1.268) 11.294 6.364 ( -7.203 -0.000 -0.670) 7.234 9.140 ( -1.493 -0.000 -0.156) 1.501 9.223 ( -2.003 -0.000 -0.362) 2.035 9.531 ( -0.408 -0.000 -0.930) 1.016 9.595 ( 1.075 0.000 0.594) 1.229 10.024 ( -1.264 -0.000 3.665) 3.877 10.351 ( 3.100 0.000 0.646) 3.167 11.625 ( -0.973 -0.000 -2.701) 2.871 11.792 ( 1.255 0.000 0.166) 1.266 13.034 ( 0.519 0.000 0.329) 0.614 13.160 ( -0.037 -0.000 -0.459) 0.461 14.642 ( 0.347 0.000 -0.782) 0.855 14.848 ( -0.378 -0.000 1.598) 1.643 14.871 ( 2.513 0.000 -0.042) 2.513 14.897 ( 0.688 0.000 4.663) 4.713 14.969 ( 0.721 0.000 -1.590) 1.746 15.446 ( -6.729 -0.000 -3.685) 7.672 16.302 ( 3.057 0.000 3.638) 4.752 16.303 ( 1.398 0.000 -1.258) 1.881 17.307 ( -0.768 -0.000 -0.688) 1.031 17.331 ( -0.344 -0.000 0.531) 0.632 20.341 ( 0.348 0.000 0.601) 0.694 20.456 ( 0.603 0.000 -1.562) 1.674 25.677 ( -2.065 -0.000 4.925) 5.340 25.980 ( -12.026 -0.000 -3.721) 12.588 28.486 ( -0.781 -0.000 0.348) 0.855 28.498 ( 0.407 0.000 -0.379) 0.556 29.577 ( -1.879 -0.000 0.654) 1.990 29.586 ( 0.313 0.000 -0.627) 0.700 31.970 ( 2.450 0.000 -1.404) 2.824 32.369 ( -0.208 -0.000 -0.739) 0.767 32.385 ( 4.441 0.000 1.461) 4.675 32.619 ( -0.385 -0.000 2.445) 2.476 32.697 ( -2.949 -0.000 -0.116) 2.951 32.890 ( -0.548 -0.000 0.242) 0.599 33.538 ( 8.626 0.000 -0.633) 8.649 34.269 ( 0.483 0.000 -2.023) 2.079 ======================= Grid point 46 (29/117) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -5.313 -6.646 -0.084) 8.509 1.363 ( 0.709 -2.483 -1.132) 2.819 1.525 ( 3.874 0.091 -2.845) 4.808 1.629 ( -0.680 2.758 -0.319) 2.859 1.648 ( -4.045 2.644 -0.109) 4.834 2.045 ( 1.530 -8.594 0.599) 8.749 2.113 ( 6.283 -3.660 3.466) 8.055 2.227 ( 3.562 -3.594 0.822) 5.126 2.276 ( -0.134 0.645 -1.495) 1.633 2.346 ( 1.383 -1.556 3.887) 4.409 2.354 ( 2.521 0.060 1.975) 3.203 2.480 ( 0.020 -1.205 -0.388) 1.267 2.665 ( -7.544 -6.092 -5.038) 10.927 2.750 ( 7.167 0.104 3.437) 7.949 2.870 ( 4.401 -0.375 3.649) 5.729 3.062 ( 1.768 -1.051 0.196) 2.066 3.113 ( 1.788 -1.129 -2.205) 3.055 3.304 ( -1.857 -8.011 -1.526) 8.364 3.390 ( 6.624 4.465 -1.097) 8.063 3.470 ( -0.240 0.585 -0.567) 0.849 3.605 ( 18.762 1.581 -14.136) 23.545 3.815 ( 1.284 2.677 1.521) 3.336 3.988 ( -16.649 3.697 6.292) 18.178 4.192 ( 5.140 -0.268 5.395) 7.456 4.358 ( 3.908 -2.517 -0.714) 4.703 4.500 ( 1.010 0.795 8.338) 8.437 4.604 ( -2.861 -0.669 -6.144) 6.811 4.819 ( 0.277 3.073 0.682) 3.160 5.009 ( -0.405 -1.750 -2.158) 2.808 5.217 ( 1.321 1.762 2.077) 3.027 5.281 ( 0.388 0.054 -0.329) 0.511 5.498 ( 6.513 0.563 -1.172) 6.641 5.668 ( -10.533 3.705 1.828) 11.315 5.799 ( 5.256 -0.160 -7.027) 8.777 5.942 ( -9.780 -3.354 2.871) 10.731 6.291 ( -2.937 1.884 0.061) 3.490 9.123 ( -0.719 0.646 -0.209) 0.989 9.204 ( -0.813 0.483 -0.015) 0.945 9.505 ( -0.159 1.945 -0.439) 2.000 9.621 ( 0.559 -1.532 0.186) 1.641 10.007 ( -0.619 1.776 1.766) 2.579 10.366 ( 1.414 1.105 0.361) 1.830 11.607 ( -0.468 0.579 -1.330) 1.524 11.801 ( 0.593 0.016 0.137) 0.609 13.054 ( 0.226 -1.748 0.131) 1.768 13.167 ( 0.008 -0.952 -0.177) 0.969 14.635 ( -0.004 0.675 -0.422) 0.796 14.857 ( 0.745 -0.499 1.584) 1.820 14.878 ( 1.248 1.163 -1.267) 2.125 14.906 ( -0.269 0.862 1.350) 1.625 14.991 ( 0.202 -2.391 0.655) 2.487 15.378 ( -3.414 0.929 -2.016) 4.072 16.303 ( 1.081 1.300 0.073) 1.692 16.321 ( 1.293 1.024 1.125) 1.997 17.294 ( -0.340 0.251 -0.299) 0.518 17.349 ( -0.234 -1.798 0.175) 1.821 20.356 ( 0.305 -1.095 0.330) 1.184 20.473 ( 0.225 -1.842 -0.785) 2.015 25.665 ( -0.998 0.776 2.305) 2.629 25.864 ( -5.493 2.368 -1.861) 6.264 28.480 ( -0.406 0.146 0.152) 0.457 28.499 ( 0.187 0.129 -0.177) 0.288 29.568 ( -0.942 -0.441 0.326) 1.090 29.590 ( 0.129 -0.408 -0.311) 0.529 31.976 ( 1.284 1.105 -0.705) 1.835 32.341 ( 0.090 2.250 -0.517) 2.310 32.398 ( 2.129 3.025 0.920) 3.812 32.585 ( -0.641 6.947 3.432) 7.775 32.685 ( -0.183 -5.498 -2.684) 6.121 32.952 ( -1.021 -5.456 -0.266) 5.557 33.661 ( 3.976 -7.118 0.932) 8.206 34.217 ( -0.077 5.602 -1.368) 5.767 ======================= Grid point 47 (30/117) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 -9.824 0.000) 9.824 1.414 ( 0.000 -3.127 0.000) 3.127 1.527 ( -0.000 1.493 -0.000) 1.493 1.584 ( -0.000 2.697 -0.000) 2.697 1.603 ( 0.000 -0.874 0.000) 0.874 2.118 ( -0.000 0.037 -0.000) 0.037 2.211 ( 0.000 -3.165 0.000) 3.165 2.223 ( -0.000 2.044 -0.000) 2.044 2.364 ( -0.000 1.020 -0.000) 1.020 2.376 ( 0.000 -0.718 0.000) 0.718 2.447 ( 0.000 -13.443 0.000) 13.443 2.475 ( 0.000 -1.592 0.000) 1.592 2.667 ( -0.000 1.160 -0.000) 1.160 2.827 ( 0.000 -1.852 0.000) 1.852 2.899 ( 0.000 -0.631 0.000) 0.631 3.136 ( 0.000 -6.705 0.000) 6.705 3.232 ( 0.000 -7.198 0.000) 7.198 3.362 ( 0.000 -1.496 0.000) 1.496 3.429 ( -0.000 2.232 -0.000) 2.232 3.460 ( 0.000 -8.991 0.000) 8.991 3.674 ( -0.000 3.896 -0.000) 3.896 3.711 ( -0.000 8.715 -0.000) 8.715 3.800 ( -0.000 3.281 -0.000) 3.281 4.260 ( -0.000 0.244 -0.000) 0.244 4.408 ( 0.000 -1.837 0.000) 1.837 4.519 ( -0.000 3.640 -0.000) 3.640 4.539 ( 0.000 -0.590 0.000) 0.590 4.746 ( -0.000 5.133 -0.000) 5.133 5.045 ( 0.000 -1.883 0.000) 1.883 5.199 ( -0.000 1.441 -0.000) 1.441 5.266 ( -0.000 0.798 -0.000) 0.798 5.501 ( -0.000 3.526 -0.000) 3.526 5.559 ( -0.000 1.794 -0.000) 1.794 5.825 ( -0.000 0.465 -0.000) 0.465 5.954 ( 0.000 -3.876 0.000) 3.876 6.258 ( -0.000 0.147 -0.000) 0.147 9.107 ( -0.000 0.581 -0.000) 0.581 9.190 ( -0.000 0.726 -0.000) 0.726 9.469 ( -0.000 1.875 -0.000) 1.875 9.650 ( 0.000 -1.299 0.000) 1.299 9.968 ( -0.000 2.474 -0.000) 2.474 10.344 ( -0.000 2.327 -0.000) 2.327 11.590 ( -0.000 0.809 -0.000) 0.809 11.803 ( -0.000 0.175 -0.000) 0.175 13.094 ( 0.000 -2.677 0.000) 2.677 13.190 ( 0.000 -1.696 0.000) 1.696 14.629 ( 0.000 -0.434 0.000) 0.434 14.835 ( -0.000 3.196 -0.000) 3.196 14.882 ( -0.000 1.447 -0.000) 1.447 14.903 ( 0.000 -2.914 0.000) 2.914 15.034 ( 0.000 -1.731 0.000) 1.731 15.346 ( -0.000 0.187 -0.000) 0.187 16.268 ( -0.000 3.507 -0.000) 3.507 16.310 ( -0.000 1.234 -0.000) 1.234 17.294 ( 0.000 -0.466 0.000) 0.466 17.380 ( 0.000 -1.912 0.000) 1.912 20.383 ( 0.000 -1.697 0.000) 1.697 20.514 ( 0.000 -2.864 0.000) 2.864 25.650 ( -0.000 0.601 -0.000) 0.601 25.786 ( -0.000 3.426 -0.000) 3.426 28.476 ( -0.000 0.024 -0.000) 0.024 28.498 ( -0.000 0.078 -0.000) 0.078 29.576 ( 0.000 -0.915 0.000) 0.915 29.600 ( 0.000 -0.698 0.000) 0.698 31.955 ( -0.000 1.842 -0.000) 1.842 32.304 ( -0.000 2.276 -0.000) 2.276 32.333 ( -0.000 5.524 -0.000) 5.524 32.453 ( -0.000 8.566 -0.000) 8.566 32.787 ( 0.000 -5.896 0.000) 5.896 33.033 ( 0.000 -4.475 0.000) 4.475 33.853 ( 0.000 -12.634 0.000) 12.634 34.092 ( -0.000 7.800 -0.000) 7.800 ======================= Grid point 58 (31/117) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.555 ( -0.000 -0.000 0.000) 0.000 1.638 ( 0.000 0.000 -0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 -0.000) 0.000 2.471 ( -0.000 -0.000 -0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.964 ( -0.000 -0.000 -0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.064 ( -0.000 -0.000 -0.000) 0.000 3.189 ( 0.000 0.000 -0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.777 ( -0.000 -0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 -0.000) 0.000 4.225 ( -0.000 -0.000 0.000) 0.000 4.357 ( -0.000 -0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 -0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 -0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 -0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.523 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 14.849 ( 0.000 0.000 -0.000) 0.000 14.897 ( 0.000 0.000 0.000) 0.000 14.922 ( 0.000 0.000 0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 16.313 ( 0.000 0.000 0.000) 0.000 16.344 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 -0.000) 0.000 20.457 ( 0.000 0.000 0.000) 0.000 25.671 ( 0.000 0.000 0.000) 0.000 25.853 ( 0.000 0.000 0.000) 0.000 28.480 ( 0.000 0.000 0.000) 0.000 28.501 ( 0.000 0.000 0.000) 0.000 29.560 ( 0.000 0.000 0.000) 0.000 29.587 ( 0.000 0.000 0.000) 0.000 31.991 ( 0.000 0.000 0.000) 0.000 32.364 ( 0.000 0.000 0.000) 0.000 32.439 ( 0.000 0.000 -0.000) 0.000 32.622 ( 0.000 0.000 -0.000) 0.000 32.658 ( 0.000 0.000 0.000) 0.000 32.886 ( 0.000 0.000 0.000) 0.000 33.623 ( 0.000 0.000 0.000) 0.000 34.267 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 105 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 3.648 0.000 21.305) 21.616 0.476 ( -13.617 -0.000 22.963) 26.697 0.808 ( -4.081 -0.000 38.470) 38.686 1.107 ( -2.529 -0.000 -9.465) 9.797 1.136 ( 3.029 0.000 -9.675) 10.138 1.573 ( 2.797 0.000 6.391) 6.976 1.736 ( -1.100 -0.000 -0.474) 1.198 1.777 ( 1.831 0.000 -3.976) 4.377 1.904 ( 1.513 0.000 -5.205) 5.420 1.990 ( -1.927 -0.000 -5.502) 5.830 2.280 ( 5.301 0.000 1.956) 5.650 2.376 ( -4.444 -0.000 -1.089) 4.575 2.454 ( -25.834 -0.000 1.650) 25.886 2.616 ( -6.814 -0.000 -1.390) 6.954 2.639 ( 7.566 0.000 2.718) 8.040 2.682 ( 5.324 0.000 0.885) 5.397 2.911 ( 3.548 0.000 -3.075) 4.695 3.086 ( 9.919 0.000 -18.749) 21.211 3.110 ( 2.992 0.000 3.563) 4.653 3.241 ( 1.664 0.000 -3.686) 4.044 3.554 ( 5.251 0.000 1.445) 5.446 3.572 ( -1.872 -0.000 0.578) 1.959 3.836 ( 1.105 0.000 -1.287) 1.696 3.893 ( -2.979 -0.000 -3.038) 4.254 4.076 ( -4.693 -0.000 13.773) 14.551 4.285 ( -2.399 -0.000 -0.280) 2.416 4.664 ( 3.647 0.000 -4.060) 5.458 4.729 ( -5.162 -0.000 -6.498) 8.299 5.038 ( 3.703 0.000 6.414) 7.406 5.043 ( -3.132 -0.000 8.989) 9.519 5.254 ( -3.731 -0.000 -3.639) 5.212 5.411 ( 30.329 0.000 -5.555) 30.833 5.570 ( -5.666 -0.000 13.888) 15.000 6.193 ( -5.262 -0.000 -14.279) 15.218 6.585 ( 0.459 0.000 2.051) 2.101 6.627 ( -6.322 -0.000 1.857) 6.589 9.350 ( -0.979 -0.000 5.135) 5.228 9.477 ( 2.134 0.000 2.520) 3.302 9.583 ( 0.178 0.000 -4.209) 4.213 9.601 ( -0.372 -0.000 -2.499) 2.526 9.892 ( 0.156 0.000 1.626) 1.633 10.000 ( 0.031 0.000 -2.666) 2.666 11.554 ( 0.724 0.000 4.450) 4.509 11.761 ( -0.933 -0.000 -3.999) 4.106 13.039 ( -0.775 -0.000 2.430) 2.551 13.158 ( 0.856 0.000 -2.385) 2.534 14.675 ( 0.542 0.000 1.785) 1.866 14.764 ( -2.795 -0.000 -1.935) 3.399 14.821 ( 0.377 0.000 0.627) 0.731 14.839 ( 0.578 0.000 -0.171) 0.603 15.839 ( -24.494 -0.000 0.808) 24.507 15.876 ( 4.751 0.000 -0.701) 4.803 16.193 ( -3.708 -0.000 1.270) 3.919 16.263 ( 13.280 0.000 -1.586) 13.374 17.348 ( -0.552 -0.000 1.110) 1.240 17.399 ( 0.459 0.000 -0.947) 1.053 20.441 ( 0.773 0.000 0.299) 0.829 20.455 ( -0.755 -0.000 -0.296) 0.812 27.781 ( 6.977 0.000 0.901) 7.034 27.823 ( -45.440 -0.000 -0.807) 45.447 28.515 ( -5.012 -0.000 1.550) 5.246 28.597 ( 2.132 0.000 -1.782) 2.778 29.624 ( -1.170 -0.000 1.300) 1.749 29.684 ( 1.027 0.000 -1.140) 1.535 31.832 ( 2.313 0.000 0.054) 2.313 31.834 ( -2.313 -0.000 -0.058) 2.314 31.884 ( -3.406 -0.000 0.087) 3.407 31.888 ( 11.700 0.000 -0.080) 11.700 32.825 ( -3.746 -0.000 0.451) 3.773 32.858 ( 28.196 0.000 -0.982) 28.213 32.965 ( 4.222 0.000 1.110) 4.365 33.004 ( -1.840 -0.000 -0.585) 1.931 ======================= Grid point 106 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -0.350 -14.809 13.659) 20.149 0.742 ( -2.791 -10.318 21.673) 24.165 1.148 ( 6.483 -7.636 -5.283) 11.325 1.205 ( 11.746 -23.350 11.289) 28.471 1.325 ( 7.436 -15.437 1.908) 17.241 1.669 ( -1.400 -8.230 -1.107) 8.422 1.726 ( -0.801 0.221 -5.171) 5.237 1.788 ( 5.998 -1.988 0.612) 6.349 1.881 ( 3.285 2.268 -1.989) 4.459 1.928 ( -7.623 -0.068 -3.273) 8.296 2.143 ( -4.914 3.336 9.641) 11.324 2.334 ( -1.127 0.915 -1.037) 1.784 2.381 ( 3.722 -1.423 5.967) 7.175 2.525 ( -5.720 1.480 -0.725) 5.953 2.686 ( 0.304 -5.204 0.237) 5.218 2.838 ( 0.103 -3.846 0.645) 3.901 2.915 ( 7.525 1.284 -4.051) 8.642 3.084 ( 0.963 1.968 -9.438) 9.689 3.137 ( 3.850 1.577 1.549) 4.439 3.327 ( 11.680 -4.743 -12.838) 17.993 3.534 ( -3.665 1.779 0.882) 4.168 3.637 ( 5.839 0.205 0.537) 5.867 3.835 ( -1.243 1.680 -2.766) 3.466 3.846 ( -0.840 0.287 -0.550) 1.044 4.048 ( -2.127 2.650 12.329) 12.788 4.261 ( 1.613 -1.339 -2.829) 3.521 4.598 ( 0.528 1.707 1.536) 2.356 4.814 ( -0.090 -5.712 -4.623) 7.349 4.964 ( -0.854 2.587 6.334) 6.895 5.241 ( 4.184 -7.912 4.237) 9.902 5.319 ( -1.029 -6.728 -2.869) 7.386 5.463 ( 2.373 5.692 14.729) 15.968 5.747 ( 12.303 -3.619 -6.819) 14.524 6.072 ( -6.599 3.385 -20.203) 21.521 6.493 ( -1.809 5.409 6.618) 8.736 6.662 ( -6.989 -3.678 -10.638) 13.249 9.313 ( -2.300 3.118 4.247) 5.749 9.498 ( -2.000 2.592 -1.583) 3.637 9.524 ( 0.085 0.887 0.177) 0.908 9.606 ( -1.806 -1.280 -2.570) 3.392 9.919 ( 3.051 0.319 1.307) 3.335 10.028 ( 4.941 -1.043 -2.015) 5.437 11.587 ( 2.280 -0.019 4.354) 4.915 11.739 ( -0.911 -0.085 -4.674) 4.763 13.081 ( -0.969 -3.959 -0.552) 4.113 13.167 ( 0.382 -1.126 -2.204) 2.505 14.686 ( 0.559 0.402 2.004) 2.119 14.729 ( -3.488 -0.327 -0.692) 3.571 14.814 ( -0.098 1.282 1.271) 1.807 14.863 ( 1.142 -1.908 -0.357) 2.252 15.454 ( -21.206 12.750 23.999) 34.470 15.907 ( 5.435 2.747 0.742) 6.135 16.113 ( -5.130 3.291 -1.135) 6.200 16.143 ( 4.033 8.340 4.285) 10.207 17.346 ( -0.513 -0.014 1.090) 1.205 17.419 ( -0.006 -1.553 -1.766) 2.352 20.427 ( -2.069 0.897 0.007) 2.255 20.502 ( -1.291 -5.030 -4.984) 7.198 26.581 ( -37.844 39.554 46.628) 71.908 27.493 ( -10.139 28.378 -3.769) 30.369 28.493 ( -0.919 -0.214 0.963) 1.348 28.577 ( -0.133 1.741 -1.204) 2.121 29.645 ( -2.975 -1.106 -0.228) 3.183 29.705 ( 0.549 -1.070 -0.352) 1.253 31.816 ( -1.329 0.028 -0.762) 1.532 31.856 ( 3.993 0.732 1.962) 4.508 31.921 ( 6.843 -0.106 -1.125) 6.936 32.100 ( 24.362 3.710 -3.801) 24.935 32.737 ( 4.469 2.611 4.953) 7.164 32.814 ( -0.210 -2.218 -2.863) 3.628 33.115 ( 0.218 -17.159 10.921) 20.341 33.968 ( 9.648 -36.916 -41.226) 56.174 ======================= Grid point 107 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 3.015 -12.703 7.468) 15.041 0.995 ( 4.758 -13.971 9.023) 17.299 1.330 ( 1.831 -7.882 0.059) 8.092 1.464 ( 3.373 -4.473 -1.516) 5.803 1.643 ( 5.614 -2.521 -3.707) 7.184 1.688 ( -1.670 -1.044 -1.720) 2.615 1.832 ( 1.626 -7.777 -3.016) 8.498 1.885 ( -3.719 -3.788 1.762) 5.594 1.983 ( 3.800 -12.633 -1.416) 13.267 2.122 ( 9.570 -15.134 1.168) 17.944 2.201 ( 4.878 -10.416 4.231) 12.255 2.321 ( 3.328 -1.262 1.231) 3.766 2.441 ( -7.609 -3.662 2.549) 8.821 2.511 ( 6.317 -2.080 2.866) 7.242 2.777 ( 2.118 -2.059 -4.221) 5.152 2.865 ( 1.289 -3.267 1.448) 3.799 2.983 ( -1.349 -3.523 0.545) 3.812 3.038 ( 1.420 1.104 -4.723) 5.054 3.153 ( 4.041 1.356 -1.148) 4.414 3.444 ( -2.197 2.590 0.182) 3.401 3.474 ( 5.927 -3.428 -8.830) 11.173 3.689 ( 10.510 1.112 -3.152) 11.028 3.778 ( -3.894 0.213 -3.719) 5.389 3.858 ( 2.145 -0.408 4.151) 4.691 4.056 ( 1.677 -0.087 9.260) 9.411 4.356 ( 5.469 -5.932 -3.640) 8.852 4.614 ( 0.693 -0.699 5.870) 5.952 4.816 ( -2.283 1.825 3.563) 4.609 5.007 ( 2.848 -2.744 -4.340) 5.871 5.267 ( 5.666 9.071 2.859) 11.071 5.338 ( -4.256 0.357 1.257) 4.452 5.565 ( 1.521 -4.475 13.167) 13.990 5.767 ( -13.096 0.857 -1.928) 13.265 5.901 ( 7.654 4.428 -18.873) 20.842 6.431 ( -1.203 2.811 9.170) 9.667 6.557 ( -7.735 1.599 -14.861) 16.829 9.240 ( -2.258 3.705 1.548) 4.607 9.368 ( -2.836 5.959 -2.963) 7.234 9.545 ( -2.075 -1.211 2.263) 3.301 9.596 ( -1.063 -0.397 -0.769) 1.371 9.934 ( 2.787 1.606 0.859) 3.330 10.105 ( 5.784 -1.692 0.441) 6.043 11.616 ( 1.407 0.329 3.684) 3.957 11.721 ( -0.186 -0.217 -4.297) 4.306 13.127 ( -1.156 -3.039 -1.671) 3.656 13.188 ( 0.021 -1.821 -1.697) 2.489 14.675 ( -1.291 0.434 1.845) 2.293 14.717 ( -1.015 -0.396 -0.010) 1.090 14.798 ( -0.525 0.619 3.000) 3.108 14.916 ( 1.499 -2.782 -0.736) 3.245 15.259 ( -7.993 3.967 19.819) 21.735 15.846 ( 0.003 7.926 -4.810) 9.271 16.028 ( -2.866 -0.375 -2.692) 3.950 16.103 ( 3.852 3.511 3.051) 6.040 17.345 ( -0.665 -0.251 1.144) 1.347 17.432 ( -0.337 -0.771 -1.634) 1.838 20.405 ( -1.650 -0.439 1.609) 2.346 20.540 ( -1.306 -3.400 -6.165) 7.161 26.049 ( -13.020 15.260 27.438) 33.989 26.808 ( -13.700 30.217 -11.335) 35.061 28.490 ( -0.646 -0.100 0.267) 0.707 28.554 ( -0.232 0.619 -0.326) 0.737 29.627 ( -2.084 -0.096 -0.203) 2.096 29.710 ( -0.583 0.176 0.128) 0.623 31.806 ( -0.029 -0.054 -0.994) 0.996 31.895 ( 5.695 1.315 2.918) 6.533 31.986 ( 6.964 -0.019 -1.712) 7.171 32.209 ( 16.481 5.251 -1.796) 17.390 32.757 ( -0.597 -0.776 1.486) 1.780 32.874 ( 2.035 -4.461 -3.030) 5.764 33.547 ( 2.525 -22.351 20.591) 30.495 34.247 ( -2.656 -10.943 -28.651) 30.785 ======================= Grid point 108 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 5.786 -9.372 -0.601) 11.030 1.270 ( 3.675 -7.383 2.155) 8.524 1.474 ( 1.070 -6.129 0.685) 6.260 1.535 ( 2.582 -6.101 2.898) 7.231 1.637 ( -1.842 -1.100 -7.128) 7.444 1.750 ( 1.554 -4.227 -1.349) 4.701 1.911 ( 3.596 -0.984 0.803) 3.813 1.987 ( -1.414 -7.453 1.430) 7.720 2.143 ( 0.829 -4.430 -3.233) 5.546 2.231 ( 4.373 1.747 -1.199) 4.859 2.404 ( -4.109 -1.880 -0.141) 4.521 2.426 ( 0.075 -9.215 0.009) 9.216 2.561 ( 7.704 -6.679 2.379) 10.470 2.748 ( 4.070 -11.178 4.339) 12.663 2.821 ( 6.696 -2.032 -3.936) 8.028 2.925 ( 1.783 -0.298 0.405) 1.853 3.018 ( -1.125 -1.512 0.690) 2.008 3.070 ( -1.147 -7.624 -3.462) 8.451 3.196 ( 3.644 -4.400 -0.909) 5.784 3.450 ( -1.001 -4.045 5.655) 7.025 3.500 ( 2.258 2.536 -1.985) 3.933 3.728 ( -3.778 0.006 -1.449) 4.046 3.818 ( 12.177 -4.799 -5.026) 14.021 3.918 ( 0.763 -2.254 1.814) 2.992 4.122 ( 6.095 0.084 4.655) 7.670 4.512 ( 6.155 -5.344 -1.189) 8.237 4.651 ( 0.343 -1.118 6.220) 6.329 4.785 ( -1.632 0.626 2.350) 2.929 4.945 ( 0.149 10.176 -1.439) 10.278 5.220 ( 2.890 1.742 -0.070) 3.375 5.267 ( -0.747 2.426 -3.301) 4.164 5.557 ( -7.235 1.743 1.847) 7.668 5.659 ( -4.593 0.868 -2.256) 5.190 5.886 ( 3.220 2.316 -0.710) 4.029 6.360 ( -7.290 2.951 -12.314) 14.611 6.459 ( -0.146 1.710 8.743) 8.909 9.162 ( -1.681 3.048 -0.757) 3.562 9.250 ( -1.491 4.394 -1.596) 4.907 9.532 ( -3.216 -0.007 1.848) 3.709 9.600 ( -0.298 -0.531 0.010) 0.610 9.931 ( 1.844 1.633 1.493) 2.880 10.182 ( 4.312 -1.024 0.734) 4.492 11.621 ( -0.262 0.528 1.763) 1.859 11.721 ( 1.077 -0.364 -2.340) 2.601 13.154 ( -0.874 -2.073 -1.661) 2.796 13.215 ( 0.011 -1.685 -1.387) 2.182 14.677 ( -0.047 -0.937 1.553) 1.814 14.712 ( -0.712 -0.122 -0.119) 0.732 14.801 ( -0.791 -0.438 3.430) 3.547 14.976 ( 1.443 -2.752 -0.975) 3.257 15.201 ( -4.554 3.015 12.974) 14.077 15.675 ( -2.964 5.613 -10.009) 11.852 16.029 ( 0.685 -0.518 -0.176) 0.876 16.095 ( 3.059 2.408 1.625) 4.219 17.348 ( -0.686 -0.488 1.069) 1.361 17.432 ( -0.287 -0.143 -1.289) 1.329 20.418 ( -1.016 -1.471 3.101) 3.580 20.564 ( -0.448 -2.555 -5.467) 6.051 25.839 ( -5.684 7.538 14.304) 17.139 26.230 ( -9.451 20.004 -10.091) 24.317 28.485 ( -0.408 0.029 -0.261) 0.486 28.544 ( -0.340 0.260 0.380) 0.572 29.610 ( -1.207 0.004 -0.718) 1.405 29.697 ( -0.894 0.459 0.551) 1.146 31.810 ( 0.652 -0.252 -0.883) 1.126 31.938 ( 4.960 0.872 3.127) 5.928 32.044 ( 5.652 -0.302 -2.295) 6.108 32.245 ( 9.809 4.845 -1.019) 10.987 32.758 ( -2.108 -0.785 -0.217) 2.260 32.981 ( 3.696 -5.050 0.628) 6.290 33.956 ( 2.248 -14.755 19.395) 24.472 34.233 ( -6.129 -3.122 -21.317) 22.400 ======================= Grid point 109 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 4.913 -4.034 -4.849) 7.995 1.349 ( 0.710 -2.586 -1.589) 3.117 1.490 ( -0.570 0.770 4.146) 4.255 1.618 ( -1.012 0.061 -2.649) 2.836 1.807 ( 7.348 -6.881 -1.191) 10.137 1.830 ( -1.439 -10.427 -0.499) 10.538 1.967 ( 4.321 -1.263 -1.638) 4.791 2.037 ( -3.334 -1.189 4.043) 5.374 2.209 ( -0.472 -2.815 -2.056) 3.518 2.256 ( 4.607 -0.114 -3.530) 5.805 2.366 ( 0.276 2.161 -0.648) 2.273 2.494 ( 0.702 -1.076 -2.764) 3.048 2.733 ( 1.490 -6.012 -0.077) 6.195 2.808 ( -0.674 1.066 8.826) 8.916 2.929 ( 4.778 -2.098 -1.155) 5.345 2.982 ( 0.218 -0.040 0.946) 0.972 3.050 ( 0.473 -3.345 -2.620) 4.275 3.185 ( 0.091 -9.941 -7.972) 12.743 3.344 ( 4.168 -4.135 0.294) 5.878 3.443 ( -1.518 1.378 1.138) 2.345 3.561 ( -2.706 -4.927 10.016) 11.486 3.710 ( 0.742 -1.044 -0.353) 1.329 3.878 ( -3.602 3.154 1.962) 5.173 4.075 ( 12.060 -7.901 -4.735) 15.175 4.111 ( 0.029 7.766 -1.654) 7.941 4.612 ( 3.603 -0.277 6.688) 7.602 4.703 ( -1.813 -0.433 -2.746) 3.319 4.738 ( -0.427 -2.601 2.974) 3.974 4.896 ( 4.459 -2.438 1.026) 5.184 5.136 ( -4.386 4.095 0.752) 6.047 5.296 ( 5.096 -0.275 -3.774) 6.348 5.497 ( -1.399 0.076 0.180) 1.412 5.558 ( -3.067 5.009 -1.961) 6.192 5.868 ( -2.134 0.963 3.671) 4.354 6.192 ( -5.223 3.823 -14.445) 15.829 6.476 ( 0.911 0.651 10.813) 10.871 9.109 ( -0.555 1.333 -1.434) 2.035 9.181 ( -0.258 2.291 -1.234) 2.615 9.506 ( -2.598 0.257 2.188) 3.406 9.602 ( -0.207 -0.070 -0.389) 0.446 9.929 ( 1.204 0.881 2.527) 2.934 10.221 ( 1.733 0.048 -0.409) 1.781 11.610 ( -1.082 0.226 0.627) 1.271 11.734 ( 1.434 -0.200 -1.067) 1.799 13.174 ( -0.354 -1.491 -1.202) 1.948 13.233 ( 0.289 -0.627 -1.693) 1.829 14.702 ( 1.308 0.281 1.182) 1.786 14.720 ( -0.355 -2.237 -0.093) 2.267 14.813 ( -1.383 -1.106 3.433) 3.863 15.024 ( 1.209 -1.587 -1.302) 2.382 15.121 ( -4.197 4.967 7.658) 10.046 15.572 ( -1.347 0.806 -8.503) 8.646 16.044 ( 0.532 -0.283 0.506) 0.787 16.088 ( 2.284 1.873 0.582) 3.011 17.355 ( -0.517 -0.596 1.016) 1.286 17.425 ( -0.024 0.279 -1.022) 1.060 20.442 ( -0.825 -0.919 3.441) 3.656 20.587 ( 0.441 -1.875 -4.213) 4.633 25.750 ( -1.891 2.406 6.569) 7.247 25.880 ( -5.034 10.655 -5.684) 13.083 28.481 ( -0.021 0.003 -0.656) 0.657 28.538 ( -0.489 0.192 0.854) 1.003 29.599 ( -0.317 -0.033 -1.364) 1.401 29.685 ( -0.775 0.248 1.141) 1.401 31.819 ( 0.531 -0.326 -0.716) 0.949 31.974 ( 3.281 0.850 2.918) 4.473 32.093 ( 3.234 -1.289 -2.609) 4.350 32.236 ( 3.813 3.521 -0.731) 5.241 32.748 ( -1.334 -0.310 -0.713) 1.544 33.107 ( 3.960 -3.944 4.676) 7.287 34.079 ( -5.896 1.819 -10.771) 12.413 34.264 ( 1.471 -8.733 7.509) 11.611 ======================= Grid point 110 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 2.193 -0.256 -4.147) 4.698 1.357 ( 0.163 2.547 -2.439) 3.530 1.527 ( 1.770 -2.917 1.554) 3.749 1.594 ( -0.906 1.432 0.268) 1.715 1.853 ( -3.867 -4.209 -0.860) 5.780 1.963 ( 0.810 2.471 2.302) 3.473 1.986 ( 1.382 1.365 -1.114) 2.239 2.118 ( 3.526 -5.018 -2.916) 6.791 2.193 ( 1.348 3.159 -2.399) 4.190 2.281 ( 1.295 0.117 -1.001) 1.641 2.352 ( 2.582 -0.889 -2.436) 3.659 2.510 ( 4.816 1.838 -3.719) 6.357 2.774 ( -7.358 0.213 8.879) 11.533 2.805 ( 1.158 -0.268 3.128) 3.347 2.904 ( -0.309 5.368 -3.168) 6.241 2.992 ( 1.042 2.897 -0.215) 3.086 3.115 ( 0.439 -6.796 0.731) 6.849 3.332 ( -0.328 -5.196 -7.794) 9.373 3.352 ( -2.751 -1.670 -2.140) 3.864 3.469 ( 0.823 -0.349 4.813) 4.896 3.563 ( -9.103 -0.339 7.044) 11.515 3.711 ( -4.170 10.046 -0.907) 10.915 3.780 ( 2.276 -1.096 -0.041) 2.527 4.009 ( 0.025 -1.817 2.506) 3.096 4.194 ( 4.129 3.510 -5.289) 7.572 4.630 ( 0.040 0.859 4.342) 4.426 4.705 ( -1.851 0.016 0.580) 1.940 4.815 ( -0.245 -4.751 0.481) 4.781 4.952 ( -3.213 3.491 0.854) 4.821 5.100 ( 5.200 -3.585 2.231) 6.699 5.322 ( 3.476 0.974 -0.446) 3.637 5.447 ( -1.986 2.661 -0.344) 3.338 5.554 ( 4.532 -4.581 -4.530) 7.877 5.834 ( -5.354 0.140 4.933) 7.281 6.063 ( -1.915 2.171 -11.517) 11.875 6.536 ( 3.782 -2.444 7.431) 8.689 9.100 ( 0.782 -0.671 -1.552) 1.863 9.156 ( 0.458 0.497 -1.221) 1.395 9.489 ( -1.678 -0.044 2.350) 2.888 9.597 ( 0.172 0.382 -0.481) 0.638 9.941 ( 0.850 -0.111 3.240) 3.351 10.213 ( -0.987 0.906 -1.342) 1.896 11.599 ( -1.379 -0.093 0.379) 1.433 11.747 ( 1.166 -0.125 -0.741) 1.388 13.191 ( 0.243 -0.807 -0.741) 1.123 13.231 ( 0.736 0.684 -2.158) 2.380 14.707 ( 0.157 0.030 0.968) 0.982 14.753 ( 1.416 -0.377 -0.241) 1.485 14.839 ( -1.550 -2.151 4.287) 5.041 15.011 ( -1.981 4.589 1.263) 5.156 15.046 ( -0.732 0.199 2.023) 2.160 15.556 ( 0.325 -1.869 -6.822) 7.081 16.052 ( 0.218 -0.109 0.774) 0.811 16.081 ( 0.731 0.789 0.063) 1.077 17.363 ( -0.341 -0.396 1.148) 1.261 17.418 ( 0.444 0.308 -1.060) 1.190 20.447 ( -0.904 0.550 3.011) 3.191 20.609 ( 1.209 -1.062 -3.258) 3.634 25.698 ( -2.007 4.346 -0.699) 4.838 25.784 ( 1.678 -3.737 0.914) 4.197 28.482 ( 0.446 -0.110 -0.885) 0.997 28.533 ( -0.549 0.147 1.108) 1.245 29.599 ( 0.730 -0.281 -1.752) 1.919 29.679 ( -0.634 0.174 1.522) 1.658 31.824 ( -0.107 -0.206 -0.654) 0.693 31.984 ( 0.810 1.346 2.472) 2.929 32.129 ( -0.549 -1.657 -2.553) 3.092 32.211 ( -0.594 0.305 -0.475) 0.819 32.740 ( 0.016 0.154 -0.688) 0.705 33.206 ( 2.606 -1.389 7.605) 8.159 33.915 ( -5.951 5.594 -12.401) 14.849 34.428 ( 3.939 -4.425 6.620) 8.884 ======================= Grid point 111 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 2.020 6.792 -3.500) 7.903 1.354 ( 0.384 -1.098 -1.648) 2.017 1.516 ( -2.341 3.660 2.896) 5.222 1.612 ( 2.465 -1.628 -1.678) 3.398 1.843 ( -6.956 5.434 1.170) 8.905 1.858 ( -3.022 3.253 -4.760) 6.509 1.991 ( 4.849 2.330 3.271) 6.296 2.081 ( -2.590 2.630 -0.653) 3.749 2.142 ( 0.771 7.020 -3.180) 7.745 2.255 ( 0.783 3.904 -1.093) 4.129 2.424 ( 0.044 -1.442 0.738) 1.620 2.514 ( 8.704 0.166 -5.974) 10.559 2.693 ( -4.599 2.989 5.964) 8.102 2.811 ( -1.559 2.070 1.535) 3.013 2.872 ( 2.091 2.467 -1.985) 3.795 2.916 ( -1.248 0.677 0.117) 1.425 3.108 ( -7.030 5.467 -2.621) 9.283 3.274 ( -1.635 1.824 -1.869) 3.081 3.382 ( -3.287 0.668 -4.147) 5.334 3.413 ( -0.007 7.084 2.017) 7.366 3.493 ( -10.753 -0.869 9.744) 14.537 3.633 ( -3.638 -4.311 1.838) 5.933 3.792 ( -1.455 3.549 2.153) 4.398 3.916 ( -4.280 7.605 -3.812) 9.523 4.251 ( 7.929 -6.603 -3.070) 10.765 4.583 ( -5.977 5.552 5.654) 9.926 4.683 ( -1.652 -2.609 -0.143) 3.091 4.805 ( -6.021 5.661 0.293) 8.270 4.864 ( -0.324 -0.400 0.975) 1.103 5.252 ( 7.178 -2.729 4.006) 8.662 5.338 ( 4.825 0.755 -2.072) 5.305 5.399 ( -2.029 1.370 -4.427) 5.059 5.714 ( 4.432 -9.539 -3.633) 11.128 5.804 ( -4.666 -1.146 6.021) 7.704 6.021 ( 0.650 -1.567 -7.282) 7.477 6.682 ( 7.398 -5.880 3.816) 10.192 9.135 ( 1.822 -2.358 -2.279) 3.751 9.166 ( 1.246 -1.336 -0.715) 1.962 9.490 ( -0.564 -0.557 2.221) 2.358 9.590 ( 0.477 0.763 0.023) 0.900 9.967 ( 0.539 -0.833 3.196) 3.347 10.168 ( -3.408 1.328 -1.148) 3.833 11.588 ( -1.644 -0.168 0.348) 1.688 11.758 ( 0.733 -0.327 -0.784) 1.122 13.196 ( 1.128 0.923 -1.207) 1.892 13.216 ( 0.933 0.901 -1.814) 2.230 14.708 ( -0.554 0.046 0.651) 0.856 14.760 ( 1.003 0.598 -0.006) 1.168 14.849 ( -0.937 2.032 6.156) 6.550 14.946 ( -1.715 0.675 -0.124) 1.848 15.034 ( -0.547 1.236 2.627) 2.954 15.596 ( 1.893 -3.830 -6.734) 7.975 16.061 ( -1.055 -0.987 1.265) 1.920 16.073 ( 0.333 0.421 -0.261) 0.597 17.366 ( -0.344 0.177 1.345) 1.400 17.418 ( 1.018 0.143 -1.351) 1.697 20.427 ( -0.735 1.608 2.491) 3.055 20.624 ( 1.877 0.100 -3.273) 3.775 25.648 ( -0.411 0.535 3.122) 3.194 25.953 ( 6.292 -11.822 -2.224) 13.576 28.488 ( 0.787 -0.215 -0.927) 1.235 28.530 ( -0.451 0.092 1.123) 1.214 29.613 ( 1.737 -0.623 -1.848) 2.612 29.675 ( -0.504 0.263 1.626) 1.723 31.820 ( -0.832 -0.098 -0.743) 1.120 31.963 ( -1.696 1.281 2.482) 3.267 32.110 ( -4.086 -0.179 -2.156) 4.624 32.222 ( -4.946 -4.295 -0.692) 6.587 32.738 ( 1.114 0.561 -0.500) 1.344 33.239 ( -0.042 1.897 6.968) 7.222 33.709 ( -4.135 9.351 -6.844) 12.303 34.535 ( 6.190 -1.151 1.045) 6.382 ======================= Grid point 112 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.459 10.777 0.798) 10.905 1.304 ( -2.864 4.889 2.060) 6.028 1.461 ( 1.657 3.697 -4.330) 5.929 1.562 ( -6.117 10.250 2.795) 12.260 1.652 ( -1.008 6.164 -0.850) 6.304 1.762 ( -2.674 0.722 -3.946) 4.821 1.954 ( -4.046 9.553 -0.317) 10.379 1.966 ( -3.238 4.028 1.619) 5.416 2.049 ( 0.047 0.490 -0.714) 0.867 2.206 ( 2.786 2.458 0.502) 3.749 2.363 ( -2.890 9.229 -0.828) 9.706 2.577 ( 4.414 4.268 -1.655) 6.359 2.662 ( 1.102 5.168 0.978) 5.374 2.678 ( -8.471 3.030 2.725) 9.400 2.745 ( -2.946 4.821 -3.991) 6.917 2.973 ( -1.745 -2.686 1.148) 3.403 2.999 ( 0.255 2.919 0.266) 2.942 3.113 ( -6.756 8.118 1.332) 10.645 3.258 ( -2.994 8.051 -5.775) 10.350 3.313 ( 0.218 2.357 4.140) 4.769 3.422 ( -5.045 2.541 0.441) 5.666 3.629 ( -1.998 1.243 -3.021) 3.829 3.708 ( -4.239 -5.030 -0.937) 6.644 3.909 ( -1.072 -2.269 4.368) 5.038 4.380 ( 0.087 -0.894 -2.362) 2.527 4.408 ( -7.567 5.078 3.872) 9.902 4.638 ( -5.121 5.255 3.666) 8.202 4.789 ( -0.318 -8.041 -1.264) 8.146 4.874 ( 0.226 -1.215 2.948) 3.197 5.252 ( -1.535 5.613 -1.155) 5.932 5.329 ( 1.108 4.174 -0.041) 4.319 5.422 ( 9.617 -1.417 -5.689) 11.263 5.747 ( -8.239 0.402 6.045) 10.227 5.972 ( 5.795 -12.321 -3.616) 14.088 6.090 ( 3.192 -5.762 -2.466) 7.034 6.872 ( 8.641 -5.702 -1.726) 10.496 9.183 ( 1.288 -2.294 -1.211) 2.896 9.240 ( 3.674 -4.884 -1.849) 6.385 9.507 ( 0.634 -0.335 1.548) 1.706 9.582 ( 0.402 0.706 1.216) 1.462 9.995 ( 0.131 -1.083 2.199) 2.455 10.099 ( -5.368 1.434 0.144) 5.558 11.575 ( -1.912 -0.169 0.582) 2.005 11.768 ( 0.276 -0.611 -1.184) 1.361 13.174 ( 2.307 2.669 -2.243) 4.180 13.209 ( 0.659 0.754 -1.245) 1.598 14.697 ( -1.078 0.417 0.239) 1.181 14.758 ( -0.271 -0.065 0.530) 0.599 14.827 ( 1.798 2.472 6.742) 7.403 14.918 ( -1.951 1.035 -1.016) 2.431 15.021 ( -1.387 0.607 8.647) 8.779 15.674 ( 2.845 -4.741 -7.274) 9.137 16.047 ( -4.065 -0.808 -0.486) 4.173 16.098 ( 2.297 -0.918 1.572) 2.931 17.360 ( -0.445 0.517 1.472) 1.623 17.421 ( 1.513 0.483 -1.687) 2.317 20.402 ( 0.044 1.343 1.936) 2.356 20.620 ( 2.591 1.633 -4.402) 5.362 25.692 ( 0.866 -3.408 10.531) 11.102 26.300 ( 11.600 -20.206 -6.161) 24.099 28.498 ( 0.823 -0.359 -0.582) 1.071 28.528 ( -0.150 0.130 0.699) 0.727 29.640 ( 2.341 -0.697 -1.798) 3.033 29.672 ( -0.214 0.215 1.632) 1.660 31.809 ( -1.167 -0.165 -0.888) 1.476 31.929 ( -3.213 0.707 2.667) 4.235 32.059 ( -6.224 -0.595 -1.788) 6.503 32.234 ( -11.024 -6.159 -1.034) 12.670 32.738 ( 1.730 1.035 -0.048) 2.017 33.171 ( -2.931 5.626 -1.233) 6.462 33.485 ( -2.278 12.933 6.626) 14.709 34.590 ( 8.104 2.313 -6.955) 10.927 ======================= Grid point 113 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -1.025 15.820 12.853) 20.409 1.183 ( -13.260 9.226 9.583) 18.783 1.271 ( -1.489 8.183 -2.138) 8.588 1.352 ( 2.767 12.533 -6.241) 14.272 1.554 ( -2.225 5.851 -3.081) 6.977 1.739 ( -2.158 2.795 -0.532) 3.571 1.794 ( -2.339 3.913 -2.604) 5.250 1.876 ( -2.562 7.217 -0.120) 7.659 1.995 ( -6.766 11.254 -1.834) 13.258 2.015 ( -2.494 4.053 5.036) 6.929 2.216 ( -2.601 12.429 7.297) 14.646 2.275 ( -4.830 6.946 -5.048) 9.852 2.600 ( -3.580 -1.573 3.257) 5.089 2.625 ( -5.373 6.037 6.660) 10.472 2.705 ( 2.033 -0.697 -2.489) 3.288 2.909 ( -1.881 3.799 1.266) 4.424 3.015 ( 2.642 -1.496 -0.082) 3.037 3.069 ( -8.007 2.877 -3.877) 9.350 3.089 ( 6.463 1.755 -13.564) 15.127 3.269 ( 0.862 4.146 0.470) 4.261 3.419 ( 2.961 -3.865 -1.493) 5.093 3.609 ( -3.346 -0.908 1.458) 3.761 3.762 ( -1.156 -4.919 -3.594) 6.200 3.930 ( -3.636 -1.708 2.154) 4.558 4.209 ( -10.417 5.282 8.507) 14.449 4.378 ( -1.529 1.853 -7.593) 7.964 4.562 ( -3.097 0.305 6.410) 7.126 4.884 ( 0.774 -2.046 7.083) 7.413 4.958 ( 0.438 -4.725 -3.990) 6.199 5.114 ( -4.129 3.581 -1.738) 5.735 5.260 ( 3.142 7.179 3.399) 8.542 5.503 ( 8.327 0.956 -4.278) 9.411 5.654 ( -8.407 2.135 5.892) 10.486 6.175 ( 2.741 -7.447 -5.581) 9.701 6.268 ( 5.038 -9.954 0.027) 11.157 6.990 ( 6.545 -0.591 -12.507) 14.129 9.238 ( 1.220 -2.750 0.865) 3.131 9.378 ( 5.074 -6.694 -3.101) 8.954 9.508 ( 0.853 1.661 0.867) 2.059 9.592 ( 0.828 -0.633 1.932) 2.196 10.010 ( -1.190 0.989 -2.499) 2.939 10.024 ( -5.755 -0.474 4.244) 7.167 11.561 ( -2.072 -0.283 1.146) 2.384 11.775 ( -0.114 -0.678 -1.919) 2.038 13.142 ( 2.806 3.318 -2.535) 5.031 13.191 ( 0.504 1.401 -1.941) 2.446 14.679 ( -0.903 0.491 0.347) 1.085 14.770 ( -0.101 -1.349 0.882) 1.615 14.831 ( 1.145 1.428 2.785) 3.333 14.872 ( -0.902 1.801 -0.611) 2.105 15.088 ( 0.185 -5.905 25.835) 26.502 15.756 ( 3.137 -3.749 -6.477) 8.115 16.015 ( -5.254 -0.983 -0.993) 5.436 16.147 ( 2.012 -1.612 1.491) 2.978 17.350 ( -0.391 0.602 1.435) 1.604 17.420 ( 1.819 0.996 -1.931) 2.834 20.402 ( 1.240 -0.183 1.158) 1.706 20.590 ( 3.492 3.594 -6.374) 8.107 25.880 ( 3.329 -12.122 27.542) 30.275 26.818 ( 16.866 -26.589 -9.629) 32.927 28.509 ( -0.093 -0.084 0.789) 0.799 28.531 ( 1.073 -0.356 -0.848) 1.413 29.667 ( 2.506 -0.121 -1.743) 3.055 29.675 ( 0.229 -0.075 1.668) 1.685 31.801 ( -0.492 -0.250 -0.830) 0.997 31.895 ( -3.544 0.280 2.404) 4.292 32.001 ( -8.196 -1.486 -1.248) 8.423 32.204 ( -18.689 -7.711 -1.985) 20.314 32.727 ( 1.518 2.952 0.921) 3.445 32.997 ( -3.807 7.892 -7.363) 11.445 33.269 ( -2.122 14.330 17.076) 22.393 34.538 ( 9.116 10.708 -21.313) 25.534 ======================= Grid point 114 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -7.091 14.748 18.689) 24.840 0.813 ( -11.456 22.147 16.574) 29.940 0.998 ( -13.145 23.488 14.954) 30.792 1.152 ( -2.318 4.432 -11.754) 12.775 1.300 ( -2.306 8.990 0.470) 9.293 1.657 ( 3.877 7.720 0.495) 8.653 1.736 ( -2.954 3.990 -1.374) 5.151 1.776 ( -2.132 0.330 -1.821) 2.823 1.858 ( -0.027 -2.744 -2.936) 4.019 2.023 ( -2.517 -0.195 -3.842) 4.597 2.087 ( 4.662 -9.314 13.171) 16.792 2.271 ( 1.315 -0.888 2.672) 3.107 2.487 ( -7.774 3.087 3.695) 9.144 2.623 ( -4.335 -2.873 3.014) 6.011 2.712 ( 4.919 3.762 0.589) 6.221 2.786 ( -5.683 5.644 -0.542) 8.028 2.954 ( -7.669 -0.427 -4.879) 9.100 3.054 ( 2.177 -0.104 -2.818) 3.563 3.092 ( 8.681 1.498 -16.284) 18.514 3.239 ( 0.398 -0.025 -1.635) 1.683 3.530 ( 4.893 -2.486 0.162) 5.491 3.585 ( -2.391 0.992 1.978) 3.258 3.819 ( 0.991 -2.420 -3.523) 4.387 3.919 ( -3.160 -1.130 -1.001) 3.502 4.094 ( -8.402 0.576 9.776) 12.903 4.303 ( -3.446 0.678 -3.104) 4.687 4.583 ( -0.224 -3.136 0.941) 3.282 4.860 ( 0.658 7.082 -7.700) 10.483 4.961 ( -3.769 -2.571 11.606) 12.471 5.113 ( 4.713 4.872 5.237) 8.566 5.216 ( 3.110 -1.719 1.430) 3.830 5.455 ( -4.331 7.060 -1.028) 8.346 5.606 ( 1.921 2.355 3.781) 4.851 6.257 ( -0.080 -2.748 -10.729) 11.076 6.461 ( 2.387 -7.615 2.290) 8.302 6.886 ( -0.743 11.039 -22.602) 25.164 9.302 ( 0.808 -2.758 3.666) 4.658 9.473 ( 1.251 1.864 2.166) 3.119 9.531 ( 3.465 -4.952 -4.205) 7.363 9.614 ( 1.426 0.248 -0.384) 1.498 9.933 ( -4.404 2.023 0.488) 4.871 10.020 ( -2.655 -0.917 -1.194) 3.052 11.551 ( -1.779 -0.182 2.254) 2.878 11.775 ( -0.435 -0.409 -2.916) 2.976 13.090 ( 1.209 4.474 -1.726) 4.946 13.166 ( 0.790 1.157 -2.324) 2.714 14.670 ( -0.144 0.211 1.083) 1.113 14.790 ( -0.241 -0.230 -2.422) 2.445 14.813 ( -1.463 -0.268 1.849) 2.373 14.846 ( 0.813 1.400 -0.307) 1.647 15.524 ( 9.610 -31.820 42.716) 54.125 15.823 ( 3.878 -2.026 -3.607) 5.670 15.973 ( -5.251 -0.477 -0.928) 5.354 16.191 ( -0.065 -1.533 1.528) 2.165 17.345 ( 0.045 0.178 1.266) 1.280 17.412 ( 1.695 1.269 -1.887) 2.836 20.435 ( 1.495 -1.376 0.340) 2.060 20.520 ( 3.741 6.598 -7.246) 10.490 26.555 ( 16.482 -52.975 61.150) 82.567 27.419 ( 18.325 -23.901 -7.249) 30.977 28.505 ( -0.768 -0.016 1.580) 1.757 28.559 ( 2.353 -1.381 -1.823) 3.281 29.679 ( 1.652 0.357 -1.003) 1.965 29.681 ( 1.369 1.378 0.256) 1.959 31.808 ( 1.995 -0.072 -0.442) 2.044 31.865 ( -3.108 0.163 1.496) 3.453 31.942 ( -10.348 -2.291 -0.609) 10.616 32.100 ( -31.311 -8.411 -5.512) 32.886 32.648 ( 1.439 7.325 5.029) 9.001 32.862 ( -3.117 1.446 -1.951) 3.951 33.064 ( -1.535 11.606 9.878) 15.318 34.107 ( 5.880 46.013 -47.779) 66.593 ======================= Grid point 116 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 11.682 0.000 11.823) 16.621 0.789 ( 16.368 0.000 15.713) 22.689 1.088 ( 9.127 0.000 -11.854) 14.961 1.219 ( 20.774 0.000 26.130) 33.382 1.234 ( 9.434 0.000 -4.472) 10.440 1.599 ( -1.516 -0.000 -6.836) 7.002 1.723 ( -0.253 -0.000 -2.925) 2.935 1.819 ( -8.851 -0.000 1.368) 8.956 1.854 ( 8.077 0.000 0.606) 8.100 1.939 ( 4.991 0.000 -0.344) 5.003 2.161 ( 0.019 0.000 4.094) 4.094 2.235 ( -6.168 -0.000 -4.029) 7.367 2.450 ( -9.187 -0.000 -2.335) 9.479 2.461 ( 6.355 0.000 5.983) 8.728 2.695 ( -0.849 -0.000 0.816) 1.178 2.851 ( 7.576 0.000 3.314) 8.269 2.992 ( 4.816 0.000 -10.628) 11.668 3.086 ( 0.307 0.000 -6.297) 6.305 3.211 ( 4.656 0.000 3.370) 5.748 3.332 ( 9.302 0.000 -10.832) 14.278 3.527 ( -2.685 -0.000 -0.889) 2.828 3.672 ( 6.901 0.000 -1.653) 7.096 3.811 ( -3.622 -0.000 -4.496) 5.773 3.862 ( 0.584 0.000 4.493) 4.531 4.119 ( 0.293 0.000 14.345) 14.348 4.275 ( 2.807 0.000 -0.349) 2.829 4.637 ( -0.586 -0.000 -3.482) 3.531 4.717 ( 3.019 0.000 -2.082) 3.667 5.067 ( 0.766 0.000 8.352) 8.387 5.148 ( 3.912 0.000 4.010) 5.602 5.232 ( 5.037 0.000 -6.570) 8.278 5.506 ( -9.057 -0.000 12.826) 15.701 5.793 ( -1.258 -0.000 2.009) 2.371 6.070 ( 9.477 0.000 -25.489) 27.194 6.555 ( -4.680 -0.000 1.242) 4.842 6.555 ( -1.690 -0.000 -3.988) 4.332 9.324 ( -4.062 -0.000 4.663) 6.184 9.501 ( -4.900 -0.000 -4.350) 6.552 9.521 ( 1.144 0.000 2.000) 2.305 9.563 ( -1.318 -0.000 -3.190) 3.452 9.986 ( 6.834 0.000 2.134) 7.159 10.062 ( 5.031 0.000 -1.500) 5.250 11.628 ( 3.268 0.000 3.272) 4.625 11.709 ( -1.520 -0.000 -5.076) 5.298 13.036 ( -0.907 -0.000 2.370) 2.538 13.152 ( 0.135 0.000 -2.284) 2.288 14.689 ( -3.638 -0.000 -0.138) 3.640 14.708 ( 1.516 0.000 2.164) 2.642 14.835 ( 0.896 0.000 -0.074) 0.899 14.850 ( 0.534 0.000 0.111) 0.546 15.391 ( -22.282 -0.000 22.274) 31.506 15.996 ( 6.507 0.000 3.469) 7.374 16.042 ( -10.667 -0.000 -3.730) 11.300 16.259 ( -3.156 -0.000 0.463) 3.189 17.347 ( -0.010 -0.000 0.635) 0.635 17.387 ( -1.050 -0.000 -0.974) 1.432 20.414 ( -1.582 -0.000 -1.724) 2.340 20.423 ( -2.480 -0.000 0.539) 2.538 26.577 ( -51.228 -0.000 41.843) 66.145 27.548 ( -29.874 -0.000 -2.534) 29.981 28.486 ( -0.542 -0.000 0.847) 1.005 28.577 ( -2.257 -0.000 -1.020) 2.477 29.609 ( -1.410 -0.000 0.512) 1.500 29.692 ( -0.052 -0.000 -0.431) 0.435 31.810 ( 0.283 0.000 -1.188) 1.221 31.967 ( 8.550 0.000 2.081) 8.800 32.092 ( 23.446 0.000 5.490) 24.081 32.263 ( 9.683 0.000 -5.630) 11.201 32.755 ( -2.018 -0.000 -1.941) 2.800 32.940 ( -0.567 -0.000 -0.645) 0.859 32.993 ( 0.862 0.000 -2.093) 2.264 33.642 ( 36.568 0.000 -29.251) 46.828 ======================= Grid point 117 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 14.697 -5.957 3.595) 16.261 1.014 ( 17.375 -3.227 12.105) 21.421 1.264 ( 5.780 -1.627 1.303) 6.144 1.333 ( 7.235 -13.751 -5.780) 16.578 1.579 ( 0.278 -7.710 -10.311) 12.878 1.653 ( -0.475 -0.757 -0.336) 0.954 1.722 ( 14.454 -2.852 0.847) 14.757 1.804 ( -1.375 -5.093 4.047) 6.649 1.954 ( 7.712 -3.641 1.923) 8.743 2.020 ( 12.465 -4.578 2.614) 13.534 2.189 ( 5.827 -1.318 -3.235) 6.794 2.266 ( -4.103 -6.719 -0.070) 7.872 2.360 ( -4.300 -0.171 -0.765) 4.371 2.562 ( 5.223 -1.718 4.979) 7.418 2.712 ( 1.313 -3.485 1.480) 4.007 2.903 ( 5.104 1.283 0.976) 5.353 2.957 ( 0.193 2.827 -4.277) 5.130 3.070 ( 1.691 0.852 -2.651) 3.258 3.223 ( 3.768 2.903 -0.881) 4.838 3.425 ( -1.059 -1.504 -3.270) 3.752 3.473 ( 2.220 0.048 -5.552) 5.980 3.729 ( -4.574 1.732 -3.595) 6.070 3.775 ( 9.194 -1.729 -3.691) 10.057 3.895 ( 1.926 -0.764 7.383) 7.668 4.144 ( 4.047 2.730 10.468) 11.550 4.336 ( 6.643 -2.515 -0.820) 7.150 4.624 ( 1.494 -0.234 1.287) 1.986 4.817 ( 1.246 -5.346 -2.104) 5.878 5.009 ( 1.271 4.978 6.946) 8.640 5.257 ( 1.018 -6.035 -4.196) 7.421 5.381 ( 5.104 -0.654 -3.395) 6.165 5.464 ( -7.325 -6.890 12.376) 15.946 5.689 ( -14.135 4.270 4.498) 15.435 6.039 ( 9.608 5.965 -17.783) 21.075 6.471 ( -2.207 3.755 -0.765) 4.422 6.503 ( -5.338 1.276 -6.015) 8.143 9.272 ( -3.827 2.524 3.049) 5.506 9.402 ( -4.926 3.514 -3.457) 6.969 9.525 ( -0.942 0.333 0.119) 1.007 9.569 ( -0.002 -1.587 -0.999) 1.876 10.019 ( 4.868 3.305 1.404) 6.049 10.133 ( 5.201 -2.060 1.299) 5.743 11.650 ( 0.928 1.166 1.182) 1.903 11.698 ( 0.553 -1.174 -3.000) 3.269 13.062 ( -0.922 -2.715 1.002) 3.038 13.156 ( 0.002 -1.145 -1.994) 2.299 14.658 ( -2.636 -0.049 0.634) 2.712 14.729 ( 1.731 0.301 1.584) 2.366 14.819 ( 0.032 1.581 0.854) 1.797 14.885 ( 1.179 -2.232 -0.320) 2.544 15.264 ( -12.289 1.359 20.606) 24.031 15.882 ( -11.350 3.846 -7.745) 14.269 16.053 ( 6.448 1.904 3.099) 7.404 16.202 ( 0.752 3.309 0.651) 3.456 17.341 ( -0.627 0.290 0.630) 0.934 17.396 ( -1.147 -1.888 -1.337) 2.582 20.384 ( -1.846 -0.054 0.333) 1.877 20.447 ( -1.366 -3.695 -3.301) 5.140 26.196 ( -23.477 10.750 30.788) 40.183 27.010 ( -30.069 19.795 -11.658) 37.840 28.485 ( -0.371 -0.037 0.377) 0.530 28.552 ( -1.347 0.225 -0.460) 1.441 29.600 ( -1.673 -0.522 -0.143) 1.759 29.695 ( -1.347 -0.672 0.116) 1.509 31.815 ( 1.648 0.210 -1.102) 1.994 32.041 ( 8.456 1.604 0.984) 8.662 32.129 ( 12.801 10.087 2.377) 16.470 32.414 ( 11.103 1.478 -0.836) 11.232 32.758 ( -1.204 -1.625 -2.968) 3.592 32.905 ( 7.101 6.445 0.303) 9.594 33.203 ( 2.571 -25.142 12.205) 28.066 33.978 ( 10.676 -11.557 -25.915) 30.317 ======================= Grid point 118 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 11.867 -6.011 -1.988) 13.451 1.280 ( 15.456 -2.707 3.230) 16.020 1.359 ( -0.109 -7.298 5.130) 8.921 1.500 ( 2.180 -4.322 -3.094) 5.745 1.583 ( 0.893 1.599 -7.046) 7.280 1.757 ( 3.824 1.092 -0.996) 4.099 1.813 ( 3.984 -13.985 -4.402) 15.193 1.959 ( 6.236 -2.086 -1.927) 6.853 2.085 ( 5.757 -5.036 1.501) 7.795 2.234 ( 1.104 -3.356 -0.137) 3.536 2.313 ( 10.458 -1.373 -2.981) 10.961 2.367 ( -0.011 -6.449 0.808) 6.499 2.497 ( 7.645 -15.560 3.406) 17.668 2.637 ( 5.150 -1.240 1.384) 5.475 2.823 ( 3.646 -4.044 -0.318) 5.454 2.921 ( 3.157 -1.282 -1.561) 3.748 2.974 ( 0.125 -2.485 6.233) 6.711 3.060 ( 2.556 2.399 -0.538) 3.546 3.178 ( -0.139 1.131 -1.428) 1.827 3.385 ( -3.062 -1.634 2.193) 4.106 3.528 ( 3.000 -1.188 -4.291) 5.369 3.665 ( -4.372 -1.033 -4.158) 6.122 3.860 ( 6.624 -0.751 -0.897) 6.727 3.965 ( 6.833 0.986 4.271) 8.118 4.199 ( 7.248 0.008 4.351) 8.454 4.470 ( 6.695 -5.185 -0.820) 8.508 4.667 ( 1.243 -1.364 5.585) 5.882 4.846 ( 2.828 3.795 2.238) 5.235 4.983 ( -4.408 -0.061 1.036) 4.528 5.300 ( -1.159 4.759 -5.057) 7.040 5.329 ( -0.619 0.284 -1.805) 1.929 5.451 ( -7.249 1.616 -6.206) 9.679 5.609 ( -4.016 -3.252 9.411) 10.736 5.968 ( 1.363 4.945 -3.686) 6.317 6.335 ( -2.861 5.323 -12.946) 14.287 6.467 ( -4.602 -1.425 8.429) 9.709 9.194 ( -2.864 3.160 0.551) 4.300 9.291 ( -3.235 3.552 -1.937) 5.180 9.506 ( -1.893 0.155 0.252) 1.916 9.590 ( 0.429 -0.784 -0.381) 0.972 10.001 ( 2.673 3.281 2.018) 4.689 10.211 ( 3.878 -0.939 1.248) 4.181 11.630 ( -0.856 0.806 -0.698) 1.368 11.724 ( 2.004 -0.526 -0.435) 2.117 13.101 ( -0.721 -2.625 -0.508) 2.769 13.178 ( -0.030 -1.951 -1.267) 2.327 14.649 ( -1.476 -1.049 0.959) 2.049 14.735 ( 1.681 1.305 1.076) 2.385 14.803 ( -0.292 0.441 1.678) 1.759 14.937 ( 0.917 -2.766 -0.541) 2.964 15.220 ( -6.436 0.471 15.120) 16.439 15.672 ( -8.949 4.690 -11.313) 15.168 16.079 ( 5.263 2.521 1.888) 6.134 16.175 ( 2.834 2.444 0.274) 3.752 17.335 ( -0.987 -0.349 0.724) 1.273 17.410 ( -0.807 -1.320 -1.188) 1.951 20.389 ( -0.950 -1.566 2.268) 2.915 20.489 ( -0.445 -3.630 -4.608) 5.883 25.948 ( -11.044 8.191 18.418) 22.985 26.394 ( -18.622 18.063 -13.041) 29.037 28.482 ( -0.255 0.050 -0.166) 0.308 28.540 ( -1.037 -0.073 0.263) 1.072 29.593 ( -1.071 -0.357 -0.610) 1.283 29.686 ( -1.895 -0.265 0.516) 1.982 31.826 ( 2.331 0.507 -0.800) 2.516 32.074 ( 8.444 5.069 3.951) 10.612 32.117 ( 7.225 2.817 -2.428) 8.126 32.423 ( 6.369 5.811 -1.189) 8.703 32.756 ( 0.296 0.324 -1.575) 1.635 32.940 ( 4.731 -2.882 1.424) 5.720 33.706 ( 1.998 -22.764 16.766) 28.343 34.073 ( 0.099 -3.179 -19.890) 20.143 ======================= Grid point 119 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.433 -5.388 -5.790) 11.562 1.364 ( 3.629 1.310 1.273) 4.063 1.465 ( -4.100 -4.825 1.416) 6.488 1.576 ( 0.393 -1.246 -4.486) 4.672 1.672 ( 4.940 -7.343 4.091) 9.749 1.813 ( 10.353 -2.981 -3.623) 11.367 1.992 ( 4.737 -2.876 -2.568) 6.108 2.073 ( 9.611 -2.700 0.224) 9.985 2.137 ( 2.295 -0.219 0.607) 2.385 2.319 ( 4.553 -1.134 -4.757) 6.682 2.382 ( 3.056 0.497 -0.931) 3.233 2.439 ( 1.862 -1.325 -2.329) 3.263 2.704 ( 3.216 -1.653 1.766) 4.024 2.791 ( -0.599 -9.870 1.682) 10.030 2.955 ( 8.071 -4.240 3.002) 9.599 2.963 ( -0.773 -2.191 1.786) 2.931 3.004 ( 1.152 0.013 -0.327) 1.198 3.051 ( 2.568 -2.436 -1.779) 3.961 3.304 ( 6.535 -7.418 1.380) 9.982 3.393 ( -6.162 -1.660 6.404) 9.041 3.538 ( -0.755 0.277 1.345) 1.567 3.675 ( 1.029 -4.078 -5.156) 6.654 3.901 ( -0.331 2.090 3.129) 3.778 4.062 ( 12.402 -4.066 -5.863) 14.308 4.233 ( 1.100 4.884 0.807) 5.071 4.616 ( 3.638 -5.460 -0.336) 6.570 4.697 ( 1.185 1.818 7.106) 7.430 4.779 ( -3.423 6.200 3.374) 7.845 4.918 ( 1.480 0.091 -1.603) 2.184 5.162 ( -3.736 3.736 -0.440) 5.302 5.325 ( 1.707 -0.134 -1.744) 2.444 5.452 ( 2.239 -2.692 -7.318) 8.113 5.582 ( -5.748 2.348 3.366) 7.063 5.880 ( -4.353 3.071 2.155) 5.747 6.185 ( -2.369 4.825 -11.373) 12.579 6.481 ( -4.329 -1.864 9.335) 10.458 9.126 ( -1.338 2.068 -0.703) 2.562 9.211 ( -1.439 2.542 -1.360) 3.222 9.487 ( -2.041 0.026 1.287) 2.412 9.602 ( 0.693 -0.188 -0.740) 1.032 9.980 ( 1.512 2.394 3.000) 4.125 10.241 ( 1.509 0.540 -0.421) 1.657 11.608 ( -1.003 0.552 -0.176) 1.159 11.746 ( 1.786 -0.047 -0.330) 1.817 13.135 ( -0.246 -2.220 -1.043) 2.465 13.209 ( 0.128 -1.794 -1.138) 2.128 14.670 ( -0.902 -2.409 0.548) 2.631 14.733 ( 1.788 1.108 1.598) 2.641 14.803 ( -0.463 -0.103 1.425) 1.501 14.990 ( 0.317 -2.783 -0.433) 2.835 15.179 ( -4.308 3.197 9.536) 10.941 15.518 ( -5.480 0.707 -9.943) 11.375 16.084 ( 3.642 2.415 0.995) 4.481 16.163 ( 3.383 2.758 -0.222) 4.370 17.338 ( -0.934 -0.800 0.859) 1.500 17.418 ( -0.377 -0.640 -0.966) 1.218 20.422 ( -0.541 -1.767 3.314) 3.795 20.534 ( 0.387 -3.197 -4.246) 5.329 25.800 ( -5.549 4.636 9.648) 12.056 25.978 ( -9.546 11.207 -8.551) 17.025 28.478 ( -0.017 -0.025 -0.597) 0.597 28.533 ( -1.092 -0.144 0.762) 1.339 29.589 ( -0.327 -0.305 -1.161) 1.244 29.675 ( -1.685 -0.347 1.017) 1.999 31.836 ( 2.203 0.760 -0.563) 2.398 32.075 ( 6.074 4.418 4.324) 8.667 32.130 ( 4.649 1.776 -3.624) 6.156 32.355 ( 2.292 6.359 -1.217) 6.868 32.751 ( 1.521 0.710 -0.873) 1.892 33.071 ( 3.444 -5.789 4.647) 8.184 34.012 ( -3.560 0.863 -16.522) 16.923 34.087 ( 0.349 -15.630 13.195) 20.458 ======================= Grid point 120 (46/117) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 4.023 0.689 -2.796) 4.948 1.378 ( 3.480 -1.117 -3.595) 5.127 1.503 ( -0.771 -2.436 2.801) 3.791 1.580 ( -1.630 -1.002 -0.749) 2.055 1.755 ( -4.021 -3.410 2.170) 5.701 2.010 ( 9.096 -3.627 1.783) 9.954 2.073 ( 5.540 6.296 0.583) 8.407 2.103 ( 9.029 -2.843 -3.737) 10.177 2.233 ( 6.107 -1.336 -2.528) 6.743 2.345 ( 6.951 3.276 -4.581) 8.946 2.371 ( 1.023 0.500 -2.563) 2.805 2.472 ( 0.386 -4.342 -4.472) 6.246 2.707 ( -6.743 -0.334 6.010) 9.039 2.872 ( 2.498 0.104 4.047) 4.757 2.978 ( -1.548 2.052 2.257) 3.420 3.064 ( 8.089 1.228 1.220) 8.272 3.091 ( 6.058 -0.396 0.087) 6.072 3.134 ( -0.850 -9.821 -4.298) 10.754 3.352 ( -3.975 1.512 0.027) 4.253 3.437 ( -0.222 -2.556 5.479) 6.050 3.539 ( -0.358 -0.495 1.000) 1.172 3.761 ( 0.149 -1.162 -3.384) 3.581 3.831 ( -0.223 3.925 0.560) 3.971 4.038 ( -4.940 7.587 -0.560) 9.071 4.247 ( 7.682 -2.198 -4.826) 9.334 4.652 ( -0.532 0.858 -0.022) 1.009 4.709 ( -0.372 1.164 5.974) 6.098 4.730 ( -1.799 -3.616 2.784) 4.906 4.980 ( 2.100 0.148 1.257) 2.452 5.101 ( 0.945 -0.246 0.559) 1.125 5.340 ( 0.141 -1.084 -0.442) 1.179 5.481 ( -3.962 3.520 1.130) 5.419 5.512 ( 5.245 -2.827 -7.167) 9.320 5.799 ( -6.526 1.139 3.551) 7.516 6.063 ( -1.641 3.577 -7.826) 8.759 6.513 ( -2.245 -3.568 6.200) 7.498 9.097 ( 0.164 0.293 -1.074) 1.125 9.167 ( -0.280 1.211 -1.496) 1.944 9.476 ( -1.667 -0.230 2.279) 2.833 9.607 ( 1.077 0.177 -0.895) 1.411 9.970 ( 0.795 1.233 3.797) 4.071 10.222 ( -0.720 1.670 -1.943) 2.661 11.591 ( -0.946 0.349 0.625) 1.187 11.758 ( 1.285 0.217 -0.782) 1.520 13.166 ( 0.233 -1.846 -0.893) 2.064 13.230 ( 0.514 -0.814 -1.668) 1.925 14.700 ( -0.758 -1.370 0.013) 1.566 14.756 ( 2.261 -1.083 0.997) 2.698 14.805 ( -1.101 -0.654 2.276) 2.612 15.030 ( -0.101 -1.759 -0.256) 1.780 15.089 ( -2.942 5.337 5.781) 8.400 15.477 ( -2.975 -2.951 -6.719) 7.918 16.075 ( 2.054 2.050 0.638) 2.971 16.143 ( 3.035 3.075 -0.687) 4.375 17.348 ( -0.738 -0.986 0.996) 1.584 17.420 ( 0.127 -0.173 -0.935) 0.960 20.448 ( -0.630 -0.630 3.289) 3.408 20.578 ( 0.994 -2.559 -3.518) 4.462 25.740 ( -2.595 2.015 2.387) 4.061 25.762 ( -3.456 3.138 -2.219) 5.168 28.480 ( 0.380 -0.236 -0.821) 0.935 28.528 ( -1.150 -0.173 1.001) 1.534 29.593 ( 0.541 -0.542 -1.514) 1.697 29.671 ( -1.385 -0.445 1.362) 1.993 31.838 ( 1.648 0.978 -0.441) 1.967 32.060 ( 3.278 4.324 3.439) 6.424 32.121 ( 1.340 1.478 -3.174) 3.749 32.258 ( -0.556 5.243 -0.772) 5.329 32.756 ( 2.256 0.639 -0.797) 2.476 33.203 ( 1.532 -4.026 6.960) 8.185 33.899 ( -3.360 2.822 -12.312) 13.071 34.340 ( 0.495 -10.552 7.031) 12.689 ======================= Grid point 121 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 3.047 0.373 -1.930) 3.626 1.379 ( 3.098 3.899 -2.120) 5.412 1.540 ( -1.963 0.742 2.372) 3.167 1.583 ( 0.474 -2.572 -0.703) 2.708 1.785 ( -3.836 -3.615 3.463) 6.307 1.967 ( 2.191 8.882 -0.729) 9.178 2.109 ( 6.324 2.423 -1.349) 6.906 2.133 ( 0.498 4.121 -0.047) 4.151 2.278 ( 5.293 3.172 -2.034) 6.497 2.327 ( 4.988 3.585 -1.427) 6.306 2.398 ( 5.072 -0.823 -2.691) 5.800 2.554 ( 2.898 -3.191 -6.460) 7.766 2.660 ( -9.369 -0.982 9.970) 13.717 2.848 ( -4.488 3.868 -0.555) 5.951 2.942 ( 8.441 2.860 3.111) 9.439 3.019 ( -1.423 8.109 -0.554) 8.251 3.121 ( 2.041 2.475 -0.937) 3.342 3.259 ( 1.036 -3.855 -10.368) 11.110 3.317 ( 0.987 -0.953 1.035) 1.718 3.453 ( -3.966 1.551 5.230) 6.744 3.488 ( -3.946 4.406 0.193) 5.918 3.621 ( -2.364 2.299 3.848) 5.067 3.820 ( 0.663 1.375 0.522) 1.614 3.978 ( -4.160 4.182 -0.404) 5.912 4.258 ( 5.543 0.808 -4.015) 6.891 4.620 ( -8.904 4.652 4.528) 11.019 4.657 ( 0.534 0.261 0.739) 0.948 4.810 ( -0.254 -2.912 2.673) 3.961 4.892 ( -2.401 6.045 -0.872) 6.562 5.231 ( 6.452 -7.477 1.287) 9.959 5.367 ( -0.459 -2.013 -2.310) 3.098 5.405 ( -1.266 2.796 0.193) 3.075 5.613 ( 5.503 -5.163 -5.775) 9.502 5.747 ( -6.234 -1.052 5.185) 8.177 5.996 ( -0.191 0.669 -3.852) 3.914 6.612 ( 0.768 -7.518 2.056) 7.832 9.111 ( 1.244 -1.450 -1.676) 2.541 9.155 ( 0.352 -0.368 -1.558) 1.639 9.479 ( -0.894 -0.743 3.078) 3.290 9.612 ( 1.418 0.520 -0.466) 1.581 9.975 ( 0.037 0.170 4.005) 4.009 10.165 ( -2.266 2.322 -2.485) 4.086 11.580 ( -0.890 0.329 1.277) 1.591 11.761 ( 0.737 0.196 -1.308) 1.514 13.194 ( 0.537 -1.175 -0.770) 1.504 13.236 ( 1.073 0.346 -2.188) 2.462 14.705 ( -0.644 -0.130 0.299) 0.722 14.778 ( 1.189 0.548 -2.290) 2.637 14.838 ( -1.273 -2.798 4.553) 5.493 14.993 ( -0.720 4.586 2.628) 5.334 15.048 ( -0.808 0.009 3.858) 3.942 15.505 ( -0.953 -4.696 -5.801) 7.524 16.059 ( 0.290 1.515 0.784) 1.730 16.119 ( 2.614 2.408 -1.136) 3.731 17.360 ( -0.653 -0.686 1.173) 1.507 17.422 ( 0.633 -0.114 -1.184) 1.348 20.449 ( -0.734 0.789 2.964) 3.154 20.616 ( 1.413 -1.622 -3.414) 4.035 25.663 ( -1.447 1.582 1.094) 2.407 25.818 ( 1.492 -7.574 -0.619) 7.744 28.488 ( 0.770 -0.332 -0.852) 1.196 28.524 ( -1.064 -0.287 1.003) 1.490 29.610 ( 1.405 -0.917 -1.543) 2.279 29.670 ( -1.202 -0.358 1.384) 1.867 31.832 ( 1.195 1.197 -0.431) 1.745 32.011 ( 0.503 4.364 2.259) 4.939 32.084 ( -2.124 1.558 -2.458) 3.602 32.172 ( -2.882 2.738 0.154) 3.978 32.767 ( 2.839 0.780 -0.668) 3.019 33.257 ( -2.332 -0.443 4.343) 4.950 33.791 ( -0.093 4.776 -4.393) 6.490 34.509 ( 1.654 -6.786 0.986) 7.054 ======================= Grid point 122 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 4.053 7.009 0.023) 8.096 1.355 ( -0.949 2.954 1.231) 3.338 1.494 ( -1.034 0.740 1.797) 2.202 1.643 ( 2.097 -2.079 -2.552) 3.903 1.732 ( -5.624 8.619 3.457) 10.857 1.825 ( 2.013 8.045 -3.709) 9.085 2.014 ( -3.556 6.060 4.404) 8.293 2.093 ( 3.198 6.027 -4.310) 8.070 2.184 ( 1.842 10.202 2.054) 10.569 2.303 ( 6.431 5.719 -2.465) 8.952 2.442 ( 0.051 -1.812 2.982) 3.489 2.609 ( -2.127 -0.759 -0.325) 2.282 2.621 ( 0.760 -0.062 1.312) 1.518 2.710 ( -7.001 4.072 -4.260) 9.151 2.869 ( -2.551 5.762 2.629) 6.828 2.943 ( 1.215 4.002 -0.030) 4.183 3.084 ( 5.780 3.356 -3.943) 7.760 3.229 ( -1.074 9.665 -2.474) 10.034 3.329 ( 0.225 1.104 -2.276) 2.540 3.370 ( -3.758 5.544 2.132) 7.029 3.395 ( -0.800 0.058 -1.252) 1.487 3.630 ( 0.506 -0.411 7.165) 7.194 3.718 ( -3.803 9.521 -3.549) 10.849 3.868 ( -1.539 -1.628 0.935) 2.427 4.349 ( 4.396 -3.399 -3.122) 6.373 4.434 ( -11.766 6.209 6.585) 14.844 4.675 ( 0.013 -3.494 0.343) 3.511 4.715 ( -3.061 7.502 0.604) 8.125 4.871 ( 0.284 -0.477 2.208) 2.276 5.284 ( -4.727 4.347 -6.316) 9.007 5.402 ( 3.738 -2.231 3.519) 5.597 5.450 ( 7.393 -4.042 -3.323) 9.057 5.698 ( -3.938 -0.208 2.076) 4.456 5.790 ( 0.611 -10.195 -1.708) 10.355 6.032 ( 2.938 -3.823 1.498) 5.049 6.774 ( 1.112 -9.580 -3.280) 10.187 9.151 ( 1.110 -2.119 -1.875) 3.039 9.187 ( 1.474 -3.433 -1.886) 4.185 9.503 ( 0.180 -1.292 3.460) 3.697 9.612 ( 1.323 1.063 0.565) 1.789 9.984 ( -1.450 -0.521 3.782) 4.083 10.091 ( -2.324 2.633 -2.499) 4.310 11.570 ( -0.736 0.484 1.958) 2.147 11.759 ( 0.239 -0.086 -1.860) 1.878 13.208 ( 0.675 -0.040 -1.235) 1.408 13.229 ( 1.531 1.159 -2.312) 3.006 14.695 ( -0.920 0.380 0.241) 1.024 14.764 ( 0.137 0.811 -1.544) 1.750 14.864 ( -2.185 -0.543 3.237) 3.943 14.942 ( 1.449 2.730 2.216) 3.803 15.048 ( -0.949 0.726 8.668) 8.750 15.581 ( 1.170 -5.942 -5.894) 8.451 16.031 ( -1.194 1.487 0.578) 1.993 16.114 ( 2.113 0.412 -1.130) 2.431 17.363 ( -0.695 -0.005 1.382) 1.547 17.430 ( 0.985 -0.245 -1.578) 1.877 20.431 ( -0.516 1.397 2.700) 3.084 20.637 ( 1.688 -0.381 -4.356) 4.688 25.671 ( -0.326 -2.191 6.620) 6.980 26.042 ( 4.515 -16.383 -4.355) 17.543 28.499 ( 0.709 -0.264 -0.397) 0.855 28.523 ( -0.590 -0.406 0.487) 0.866 29.639 ( 1.802 -1.097 -1.280) 2.468 29.669 ( -0.938 -0.340 1.122) 1.502 31.822 ( 1.446 1.210 -0.460) 1.941 31.946 ( -1.251 3.284 1.842) 3.968 32.018 ( -3.476 1.796 -2.273) 4.525 32.101 ( -6.502 0.816 0.812) 6.603 32.779 ( 2.932 1.120 -0.082) 3.140 33.197 ( -5.333 2.995 -3.212) 6.909 33.701 ( 2.926 8.657 8.260) 12.319 34.610 ( 2.520 -3.507 -6.094) 7.469 ======================= Grid point 123 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.927 11.997 10.041) 15.916 1.250 ( -4.209 7.540 4.893) 9.926 1.450 ( 0.442 12.243 -1.876) 12.394 1.515 ( 0.091 4.891 -0.733) 4.946 1.644 ( 2.837 7.000 -4.229) 8.656 1.714 ( -0.675 0.429 -3.274) 3.370 1.872 ( -3.798 7.352 2.612) 8.678 1.974 ( 1.285 5.800 2.136) 6.313 2.072 ( 1.860 5.850 -0.701) 6.178 2.263 ( 2.746 3.432 -1.297) 4.583 2.383 ( 4.152 20.465 3.024) 21.100 2.483 ( -9.576 3.315 2.922) 10.546 2.562 ( -3.875 12.194 -3.663) 13.309 2.667 ( -5.923 2.737 8.379) 10.620 2.719 ( 2.925 0.077 -3.290) 4.403 2.947 ( -0.155 -1.620 -0.523) 1.709 2.977 ( -2.769 6.232 -0.545) 6.841 3.057 ( -1.816 1.856 3.789) 4.593 3.210 ( 4.117 8.593 -12.929) 16.061 3.375 ( 0.807 -3.602 1.118) 3.857 3.406 ( 8.253 4.765 -5.590) 11.048 3.569 ( -2.855 2.303 -3.602) 5.141 3.691 ( 2.682 -2.937 3.336) 5.191 3.881 ( -2.793 -1.028 1.126) 3.183 4.228 ( -11.817 6.159 8.698) 15.913 4.393 ( 2.068 1.382 -5.831) 6.339 4.590 ( -2.133 3.988 4.967) 6.718 4.806 ( 2.299 -8.959 1.389) 9.353 4.890 ( -1.441 -1.989 4.965) 5.540 5.135 ( -3.003 5.317 -8.557) 10.512 5.434 ( 3.586 3.253 4.688) 6.739 5.543 ( -0.757 0.116 2.905) 3.004 5.660 ( 3.089 0.940 -2.675) 4.193 5.983 ( -1.616 -12.405 -6.238) 13.979 6.176 ( 4.693 -6.867 5.670) 10.066 6.896 ( -2.650 -6.919 -11.490) 13.672 9.196 ( 0.447 -2.918 -0.343) 2.972 9.286 ( 2.141 -6.582 -3.085) 7.578 9.540 ( 1.338 -0.577 2.809) 3.164 9.605 ( 0.427 0.958 2.175) 2.415 9.974 ( -5.232 -0.217 3.586) 6.347 10.030 ( 1.398 2.277 -3.217) 4.181 11.562 ( -0.284 0.610 2.937) 3.013 11.758 ( -0.126 -0.397 -2.550) 2.584 13.198 ( 0.925 1.534 -2.565) 3.128 13.214 ( 1.227 1.406 -1.999) 2.735 14.679 ( -0.988 0.387 0.542) 1.192 14.757 ( 0.209 -0.316 0.076) 0.386 14.837 ( -3.794 0.970 2.008) 4.401 14.923 ( 2.204 2.574 -0.337) 3.406 15.086 ( -0.276 -2.125 18.998) 19.118 15.685 ( 2.842 -5.855 -5.538) 8.546 15.996 ( -0.944 1.332 0.623) 1.748 16.131 ( 0.290 -1.176 -1.458) 1.896 17.357 ( -0.704 0.371 1.551) 1.743 17.437 ( 1.131 0.051 -1.906) 2.217 20.416 ( -0.125 0.697 2.245) 2.354 20.633 ( 1.737 1.021 -6.196) 6.515 25.781 ( -0.708 -7.963 16.652) 18.472 26.437 ( 6.254 -26.026 -8.373) 28.046 28.506 ( -0.276 -0.177 0.617) 0.699 28.530 ( 0.593 -0.471 -0.626) 0.983 29.665 ( -0.577 -0.811 0.800) 1.277 29.677 ( 1.493 -0.702 -0.899) 1.879 31.823 ( 2.855 0.784 -0.374) 2.984 31.893 ( -1.487 1.876 1.117) 2.641 31.952 ( -2.616 1.623 -1.526) 3.436 32.015 ( -9.359 0.594 0.843) 9.415 32.781 ( 2.096 1.768 0.847) 2.870 33.052 ( -4.770 5.592 -7.903) 10.793 33.582 ( 2.981 13.984 17.977) 22.969 34.626 ( 2.045 1.061 -16.082) 16.246 ======================= Grid point 124 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -14.842 12.580 19.868) 27.808 0.958 ( -5.562 19.376 8.120) 21.733 1.267 ( 5.384 10.724 -6.121) 13.471 1.415 ( 3.083 7.923 -2.348) 8.820 1.530 ( 2.069 12.486 4.462) 13.420 1.732 ( 1.116 -1.580 -6.590) 6.868 1.769 ( 1.867 3.421 1.058) 4.038 1.907 ( 4.430 18.326 3.811) 19.235 1.954 ( 1.654 4.405 -3.807) 6.053 2.049 ( -1.873 8.747 6.165) 10.863 2.105 ( -2.651 13.379 0.823) 13.664 2.306 ( 3.391 2.537 3.543) 5.521 2.425 ( -8.383 1.800 4.349) 9.614 2.596 ( -6.284 1.542 3.349) 7.286 2.757 ( 3.799 -0.264 -4.756) 6.092 2.904 ( -5.502 2.817 -0.327) 6.190 2.927 ( 3.789 4.814 -0.934) 6.197 3.075 ( 1.559 -1.845 3.204) 4.013 3.092 ( 1.446 2.268 -11.244) 11.561 3.345 ( 10.885 6.550 -13.786) 18.747 3.499 ( 2.597 -5.428 1.260) 6.148 3.551 ( -0.479 -2.100 0.969) 2.361 3.781 ( 3.988 -2.642 -0.619) 4.824 3.865 ( -3.258 -1.029 -1.354) 3.675 4.070 ( -8.503 3.169 10.237) 13.680 4.324 ( 1.139 4.818 -7.130) 8.680 4.571 ( -0.362 0.060 6.665) 6.675 4.886 ( -6.448 -1.703 6.981) 9.655 4.964 ( 3.857 2.608 -6.296) 7.830 5.107 ( 6.172 -8.332 2.546) 10.677 5.394 ( 4.528 7.292 4.555) 9.717 5.471 ( -6.954 3.537 8.967) 11.886 5.708 ( 9.295 1.253 -4.828) 10.548 6.103 ( -5.401 -8.250 -12.852) 16.199 6.360 ( 2.412 -7.393 6.996) 10.460 6.853 ( -8.845 0.267 -19.633) 21.535 9.256 ( -0.437 -3.621 1.926) 4.124 9.417 ( 0.582 -7.752 -3.874) 8.686 9.539 ( 0.811 2.630 2.763) 3.900 9.618 ( -0.076 -1.005 1.299) 1.644 9.925 ( -3.341 0.822 1.219) 3.650 10.017 ( 2.967 1.338 -2.401) 4.044 11.564 ( 0.699 0.517 4.092) 4.184 11.754 ( -0.390 -0.430 -3.515) 3.563 13.156 ( 0.121 3.084 -3.232) 4.469 13.192 ( 0.870 1.619 -2.105) 2.795 14.673 ( -0.296 -0.187 1.417) 1.460 14.769 ( -1.153 -0.301 -3.013) 3.240 14.793 ( -2.754 -0.205 5.086) 5.787 14.892 ( 1.454 2.661 -0.871) 3.155 15.250 ( -4.217 -11.152 28.730) 31.106 15.798 ( 4.300 -4.818 -3.221) 7.217 15.990 ( 3.014 -0.106 2.739) 4.074 16.141 ( -2.965 -1.901 -2.212) 4.159 17.349 ( -0.573 0.276 1.475) 1.607 17.436 ( 1.007 0.615 -1.998) 2.320 20.420 ( -0.417 -0.710 1.295) 1.535 20.594 ( 0.887 2.784 -7.955) 8.475 26.068 ( -6.120 -22.207 34.510) 41.491 26.976 ( 3.622 -33.598 -9.640) 35.141 28.503 ( -0.897 0.137 0.846) 1.241 28.549 ( 1.103 -1.048 -1.034) 1.840 29.669 ( -1.802 -0.700 0.564) 2.014 29.702 ( 1.617 -0.322 -0.795) 1.830 31.840 ( 0.105 0.306 0.291) 0.435 31.868 ( -0.462 0.325 -1.062) 1.203 31.913 ( -3.570 1.493 0.533) 3.906 31.926 ( 4.871 1.562 0.210) 5.120 32.754 ( 0.224 3.384 1.719) 3.802 32.898 ( -1.535 5.311 -6.416) 8.469 33.381 ( 1.557 18.903 19.799) 27.418 34.471 ( 0.486 12.400 -31.650) 33.996 ======================= Grid point 127 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 16.694 0.000 -4.950) 17.412 1.111 ( 7.123 0.000 8.910) 11.408 1.285 ( 17.339 0.000 -6.512) 18.522 1.370 ( 4.000 0.000 -13.732) 14.303 1.559 ( 7.669 0.000 1.020) 7.736 1.674 ( 4.813 0.000 6.256) 7.893 1.748 ( 2.345 0.000 4.161) 4.776 1.887 ( 21.943 0.000 3.967) 22.299 1.974 ( 2.594 0.000 1.027) 2.790 2.116 ( -0.657 -0.000 -2.214) 2.309 2.154 ( 5.448 0.000 -1.820) 5.743 2.245 ( 6.481 0.000 -3.485) 7.359 2.292 ( 2.410 0.000 0.547) 2.471 2.603 ( 5.198 0.000 3.689) 6.374 2.708 ( 1.436 0.000 3.846) 4.106 2.954 ( 2.165 0.000 5.082) 5.524 3.001 ( 4.169 0.000 -11.253) 12.000 3.070 ( -1.525 -0.000 -0.156) 1.533 3.314 ( 3.718 0.000 2.606) 4.541 3.381 ( 0.492 0.000 -5.905) 5.925 3.445 ( -4.674 -0.000 -3.302) 5.723 3.737 ( -0.969 -0.000 0.699) 1.195 3.822 ( 11.220 0.000 -6.985) 13.216 3.911 ( 0.133 0.000 8.197) 8.198 4.248 ( 4.850 0.000 11.036) 12.055 4.383 ( 7.310 0.000 0.091) 7.310 4.649 ( 2.859 0.000 -1.558) 3.256 4.730 ( -1.194 -0.000 -0.116) 1.200 5.148 ( 3.784 0.000 1.263) 3.989 5.226 ( 2.302 0.000 0.278) 2.319 5.332 ( -1.912 -0.000 14.111) 14.240 5.431 ( 3.317 0.000 -4.534) 5.618 5.587 ( -15.351 -0.000 2.454) 15.546 6.100 ( 1.556 0.000 -11.157) 11.265 6.424 ( -8.695 -0.000 -0.416) 8.705 6.493 ( 0.001 0.000 -11.980) 11.980 9.263 ( -4.342 -0.000 3.164) 5.373 9.367 ( -5.643 -0.000 -3.656) 6.723 9.529 ( -0.315 -0.000 -2.649) 2.667 9.552 ( 0.915 0.000 1.463) 1.725 10.131 ( 1.452 0.000 2.622) 2.997 10.136 ( 6.842 0.000 1.008) 6.916 11.650 ( -1.325 -0.000 -4.082) 4.292 11.706 ( 2.896 0.000 2.234) 3.657 13.037 ( -0.387 -0.000 2.448) 2.478 13.141 ( 0.191 0.000 -2.318) 2.326 14.637 ( -1.693 -0.000 0.236) 1.709 14.755 ( 2.233 0.000 1.003) 2.448 14.855 ( 1.304 0.000 -0.448) 1.379 14.860 ( 0.376 0.000 0.293) 0.476 15.216 ( -10.866 -0.000 20.003) 22.764 15.769 ( -11.993 -0.000 -9.481) 15.287 16.153 ( 6.356 0.000 5.164) 8.189 16.225 ( -0.060 -0.000 -1.579) 1.581 17.349 ( -0.149 -0.000 0.403) 0.430 17.351 ( -1.738 -0.000 -1.266) 2.150 20.378 ( -2.043 -0.000 1.018) 2.282 20.388 ( 0.449 0.000 -3.220) 3.251 26.143 ( -21.255 -0.000 26.357) 33.860 26.806 ( -34.493 -0.000 -14.494) 37.414 28.483 ( -0.137 -0.000 0.302) 0.331 28.538 ( -1.391 -0.000 -0.293) 1.422 29.582 ( -1.106 -0.000 -0.092) 1.110 29.674 ( -1.635 -0.000 0.060) 1.636 31.837 ( 2.914 0.000 -0.480) 2.953 32.126 ( 7.881 0.000 -1.992) 8.129 32.344 ( 2.464 0.000 -1.164) 2.725 32.563 ( 8.706 0.000 5.976) 10.560 32.783 ( 4.420 0.000 7.936) 9.084 32.920 ( -0.955 -0.000 -0.821) 1.259 33.054 ( 10.581 0.000 1.260) 10.655 33.963 ( 15.597 0.000 -20.304) 25.603 ======================= Grid point 128 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 12.780 -3.662 -7.594) 15.311 1.240 ( -0.492 -5.803 6.734) 8.903 1.345 ( 1.227 -2.654 -14.041) 14.343 1.553 ( 15.110 -8.549 -3.752) 17.762 1.594 ( 8.695 5.043 -0.395) 10.060 1.706 ( 8.533 0.144 5.820) 10.330 1.871 ( 7.592 3.051 1.965) 8.415 1.914 ( 2.332 -4.057 -0.709) 4.733 2.131 ( 1.475 -4.993 0.025) 5.206 2.160 ( 9.353 -3.470 -2.009) 10.176 2.264 ( 6.604 -6.825 0.805) 9.531 2.376 ( 5.268 -6.172 -4.627) 9.341 2.408 ( 14.482 -2.072 3.830) 15.122 2.682 ( 5.076 -1.481 2.803) 5.985 2.769 ( 1.856 -3.944 2.034) 4.810 2.966 ( 0.024 1.938 6.221) 6.516 2.990 ( 1.813 1.835 -1.373) 2.922 3.078 ( 4.147 -2.324 -2.588) 5.412 3.243 ( -2.811 7.175 0.272) 7.711 3.355 ( 0.064 -0.548 -3.399) 3.443 3.483 ( 0.004 -5.662 -3.968) 6.914 3.667 ( -0.058 6.460 3.604) 7.398 3.911 ( 5.240 -0.148 -0.636) 5.280 4.013 ( 6.952 -4.976 0.993) 8.606 4.308 ( 6.732 2.392 7.499) 10.358 4.471 ( 6.167 -2.221 -0.176) 6.557 4.669 ( 1.120 -0.690 2.967) 3.246 4.794 ( -1.421 -6.793 -2.357) 7.329 5.087 ( 0.961 9.252 4.744) 10.442 5.232 ( -2.196 -2.137 -2.860) 4.191 5.326 ( -5.459 2.626 -1.256) 6.187 5.474 ( 0.775 1.276 -4.504) 4.745 5.516 ( -2.946 -5.415 7.863) 9.991 6.026 ( -3.773 4.013 -4.133) 6.886 6.351 ( -7.106 -0.386 -4.514) 8.427 6.412 ( -2.386 2.709 -4.317) 5.628 9.211 ( -3.669 2.123 1.737) 4.581 9.292 ( -4.084 1.610 -2.368) 4.988 9.507 ( -0.322 1.103 -1.028) 1.542 9.578 ( 0.776 -1.156 -0.065) 1.394 10.096 ( 1.495 4.043 3.026) 5.267 10.227 ( 3.750 -1.692 0.402) 4.134 11.626 ( -0.899 0.354 -2.034) 2.252 11.740 ( 2.335 -0.230 1.187) 2.629 13.058 ( -0.261 -1.761 1.590) 2.387 13.147 ( 0.269 -1.202 -1.926) 2.286 14.628 ( -0.830 -0.314 0.383) 0.967 14.775 ( 2.296 0.519 0.022) 2.354 14.829 ( 0.621 2.050 0.622) 2.230 14.901 ( 0.659 -2.145 -0.448) 2.288 15.192 ( -7.374 -1.040 16.582) 18.177 15.606 ( -9.903 2.538 -10.682) 14.786 16.192 ( 4.667 2.946 2.060) 5.891 16.225 ( 2.674 0.713 -0.315) 2.785 17.324 ( -1.202 0.216 -0.063) 1.223 17.370 ( -0.746 -1.817 -0.715) 2.090 20.367 ( -0.526 -0.691 1.540) 1.768 20.418 ( 0.453 -2.959 -3.326) 4.475 25.992 ( -14.042 4.559 18.552) 23.709 26.374 ( -23.951 8.956 -14.586) 29.438 28.482 ( -0.003 0.156 -0.053) 0.165 28.526 ( -1.231 -0.177 0.161) 1.254 29.577 ( -0.573 -0.357 -0.403) 0.787 29.660 ( -2.272 -0.434 0.364) 2.341 31.864 ( 3.456 0.619 0.203) 3.517 32.184 ( 7.071 1.010 -3.082) 7.779 32.295 ( 3.756 6.530 0.730) 7.568 32.591 ( 5.118 6.893 6.023) 10.487 32.704 ( -2.083 -1.181 -3.888) 4.566 32.984 ( 1.009 -0.164 -1.631) 1.925 33.410 ( 9.462 -19.821 14.621) 26.385 34.034 ( 7.700 0.210 -16.050) 17.802 ======================= Grid point 129 (53/117) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 8.344 -3.870 -8.068) 12.234 1.298 ( -6.068 -6.362 0.995) 8.848 1.410 ( 3.166 -1.893 -1.391) 3.942 1.571 ( 1.579 1.176 -3.923) 4.389 1.691 ( 3.588 0.914 3.714) 5.244 1.856 ( 10.609 -1.469 1.329) 10.793 1.949 ( 8.512 -6.649 -4.287) 11.621 2.109 ( 14.002 -4.102 2.231) 14.760 2.241 ( 6.721 -1.112 1.786) 7.042 2.322 ( 7.989 -2.376 -0.909) 8.385 2.382 ( 0.323 -5.668 1.768) 5.946 2.488 ( 8.792 -1.787 -9.075) 12.761 2.604 ( 7.198 -5.499 -1.718) 9.220 2.730 ( 0.600 1.316 2.462) 2.855 2.881 ( 2.968 -7.756 -2.864) 8.784 2.922 ( -7.775 -1.770 12.065) 14.462 3.056 ( 8.922 -2.124 1.117) 9.239 3.099 ( -0.120 4.738 1.633) 5.013 3.217 ( 2.944 -6.623 0.114) 7.249 3.400 ( 5.162 -1.701 -1.682) 5.689 3.562 ( 1.374 5.879 3.779) 7.122 3.569 ( -1.663 -5.712 -4.111) 7.231 3.953 ( 3.188 0.990 1.820) 3.802 4.127 ( 8.563 -0.744 -3.937) 9.454 4.320 ( 1.233 4.599 2.347) 5.309 4.571 ( 3.268 -3.906 0.640) 5.132 4.702 ( -2.548 -2.180 2.249) 4.038 4.862 ( -4.780 0.348 1.792) 5.117 4.934 ( 3.422 5.060 0.932) 6.180 5.179 ( -3.115 2.572 0.651) 4.092 5.293 ( -0.935 -1.438 -2.914) 3.381 5.477 ( 7.662 1.136 -7.942) 11.094 5.545 ( -6.205 -0.966 4.824) 7.919 5.893 ( -6.981 4.132 0.765) 8.148 6.231 ( -2.521 5.274 -7.922) 9.845 6.390 ( -7.141 -3.816 5.426) 9.747 9.146 ( -2.107 2.223 0.316) 3.080 9.227 ( -2.189 1.801 -1.427) 3.174 9.484 ( -0.666 0.856 0.539) 1.211 9.600 ( 0.935 -0.673 -1.112) 1.601 10.051 ( 0.463 3.410 3.861) 5.173 10.263 ( 1.841 0.415 -1.584) 2.463 11.608 ( -0.627 0.527 -0.028) 0.820 11.764 ( 1.738 0.061 0.141) 1.745 13.094 ( -0.004 -2.144 0.237) 2.157 13.173 ( 0.228 -1.996 -1.289) 2.387 14.634 ( -0.643 -1.077 0.637) 1.406 14.781 ( 2.318 1.416 0.127) 2.720 14.810 ( 0.538 0.929 0.391) 1.142 14.942 ( -0.199 -2.595 -0.297) 2.619 15.192 ( -5.071 -0.274 12.226) 13.239 15.451 ( -6.300 1.979 -9.785) 11.805 16.181 ( 3.968 3.382 0.027) 5.214 16.233 ( 3.281 1.924 -0.252) 3.812 17.318 ( -1.067 -0.608 0.573) 1.355 17.390 ( -0.556 -1.573 -0.894) 1.893 20.395 ( -0.197 -1.904 2.779) 3.374 20.469 ( 0.875 -3.439 -3.597) 5.053 25.845 ( -8.634 4.638 11.038) 14.761 26.008 ( -12.665 8.192 -10.240) 18.231 28.478 ( 0.107 0.180 -0.431) 0.479 28.519 ( -1.264 -0.274 0.548) 1.405 29.578 ( -0.083 -0.356 -0.829) 0.906 29.649 ( -2.259 -0.749 0.791) 2.508 31.880 ( 3.165 1.358 0.466) 3.475 32.205 ( 5.125 2.474 -4.148) 7.043 32.237 ( 4.634 5.441 2.071) 7.441 32.486 ( 0.648 8.250 2.285) 8.585 32.752 ( 0.815 -2.986 -1.769) 3.565 33.026 ( 2.223 -3.755 1.736) 4.696 33.824 ( 2.434 -16.832 8.204) 18.883 34.008 ( 1.818 2.574 -9.401) 9.915 ======================= Grid point 130 (54/117) ======================= q-point: ( 0.50 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 4.747 -3.060 -2.805) 6.306 1.381 ( -3.415 -8.637 0.740) 9.317 1.425 ( 2.547 2.291 -0.209) 3.433 1.565 ( -0.400 0.146 -1.014) 1.100 1.701 ( -1.979 -1.122 3.593) 4.252 2.036 ( 9.163 -5.273 -0.622) 10.590 2.085 ( 7.394 -3.428 -3.098) 8.719 2.274 ( 7.048 0.235 0.769) 7.094 2.293 ( 8.386 2.639 1.122) 8.863 2.358 ( 2.705 0.604 0.572) 2.830 2.420 ( 1.111 3.184 2.671) 4.302 2.552 ( 14.825 3.954 -13.828) 20.655 2.663 ( -6.536 1.203 5.939) 8.912 2.817 ( 1.433 -11.671 1.785) 11.894 2.903 ( -2.122 -4.268 -3.787) 6.088 2.988 ( -3.468 0.836 2.787) 4.526 3.179 ( 10.279 -1.805 -2.365) 10.701 3.220 ( 12.471 -6.523 4.957) 14.921 3.291 ( -4.898 -0.317 8.868) 10.136 3.463 ( 5.230 0.587 -1.136) 5.384 3.516 ( 1.009 -0.861 -2.170) 2.543 3.683 ( 1.924 -7.226 -2.604) 7.918 3.904 ( -0.950 6.391 -1.496) 6.632 4.119 ( -6.330 8.122 -2.948) 10.711 4.272 ( 8.225 -1.539 -2.408) 8.707 4.640 ( -0.244 -1.643 -0.314) 1.691 4.671 ( -5.677 -0.546 -0.382) 5.716 4.773 ( -2.091 4.040 10.227) 11.193 5.002 ( 4.739 -1.675 0.012) 5.026 5.122 ( 0.181 2.137 1.092) 2.406 5.295 ( -2.144 -1.543 -2.548) 3.671 5.475 ( -3.324 1.317 -1.061) 3.730 5.542 ( 7.346 -0.218 -4.470) 8.602 5.769 ( -7.782 2.397 2.951) 8.661 6.102 ( -2.202 4.738 -4.112) 6.649 6.412 ( -6.254 -4.884 4.009) 8.891 9.105 ( -0.502 1.003 -0.266) 1.152 9.180 ( -0.862 1.443 -1.545) 2.283 9.470 ( -0.803 0.343 2.113) 2.286 9.614 ( 1.228 -0.318 -1.784) 2.189 10.016 ( -0.458 2.250 4.798) 5.319 10.244 ( 0.446 2.054 -3.401) 3.998 11.596 ( -0.455 0.601 1.410) 1.599 11.773 ( 1.159 0.378 -0.868) 1.496 13.132 ( 0.365 -2.178 -0.364) 2.238 13.206 ( 0.278 -1.875 -1.388) 2.350 14.656 ( -0.762 -2.106 0.426) 2.280 14.781 ( 1.977 0.977 1.084) 2.457 14.804 ( 0.378 0.451 -0.330) 0.675 14.984 ( -0.735 -2.890 0.111) 2.984 15.155 ( -3.524 3.228 7.848) 9.188 15.380 ( -3.227 -1.954 -6.345) 7.381 16.156 ( 3.087 3.703 -0.001) 4.821 16.220 ( 2.719 2.753 -1.383) 4.109 17.325 ( -0.837 -1.051 1.005) 1.678 17.406 ( -0.167 -1.060 -0.983) 1.455 20.433 ( -0.442 -1.620 3.107) 3.532 20.527 ( 1.155 -3.305 -3.271) 4.791 25.744 ( -4.695 2.034 5.260) 7.338 25.787 ( -5.485 5.159 -5.221) 9.163 28.478 ( 0.328 -0.122 -0.606) 0.700 28.514 ( -1.291 -0.287 0.704) 1.498 29.584 ( 0.495 -0.552 -1.057) 1.291 29.646 ( -1.894 -0.971 1.045) 2.371 31.882 ( 2.480 1.772 0.452) 3.081 32.172 ( 2.271 3.891 -4.659) 6.481 32.202 ( 4.094 5.105 3.144) 7.260 32.354 ( -1.309 7.279 0.776) 7.437 32.789 ( 2.861 -0.112 -0.994) 3.031 33.142 ( 0.199 -5.862 4.310) 7.278 33.899 ( 1.080 3.282 -10.630) 11.177 34.143 ( -1.345 -13.721 7.563) 15.725 ======================= Grid point 131 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 2.876 1.658 -0.936) 3.449 1.420 ( 1.657 -1.095 -1.106) 2.273 1.501 ( 0.233 -6.247 0.384) 6.263 1.546 ( -2.104 0.476 1.073) 2.409 1.710 ( -2.762 -1.510 6.105) 6.869 2.111 ( 1.890 2.977 -2.005) 4.057 2.187 ( 5.562 0.483 -0.390) 5.597 2.251 ( 3.023 5.762 -0.272) 6.512 2.322 ( 0.590 1.575 0.619) 1.792 2.401 ( 5.954 0.984 3.012) 6.745 2.431 ( 1.700 -5.962 -1.396) 6.355 2.586 ( 5.068 1.441 -5.339) 7.501 2.591 ( 3.688 4.444 1.559) 5.982 2.852 ( -5.357 2.643 0.240) 5.978 2.960 ( -1.032 -1.932 1.400) 2.599 3.082 ( -1.336 -10.383 -3.895) 11.170 3.179 ( 3.441 6.716 -2.523) 7.957 3.270 ( 3.489 3.023 7.002) 8.387 3.392 ( 4.941 2.091 -2.266) 5.824 3.482 ( 3.769 0.946 1.619) 4.209 3.535 ( 5.749 3.053 -1.898) 6.780 3.662 ( -5.080 6.811 -0.365) 8.505 3.827 ( -0.442 -2.202 -3.371) 4.051 4.001 ( -0.029 2.073 2.011) 2.888 4.322 ( 3.796 2.376 -4.837) 6.592 4.591 ( -9.669 1.730 1.077) 9.882 4.679 ( -0.897 0.942 2.517) 2.833 4.750 ( -0.483 -4.749 6.624) 8.165 4.979 ( -1.099 5.638 -0.337) 5.754 5.175 ( 4.558 -4.604 0.422) 6.493 5.296 ( -2.653 -2.407 -3.097) 4.735 5.419 ( -2.682 1.830 -0.487) 3.283 5.619 ( 8.041 -1.138 -4.327) 9.202 5.687 ( -6.443 -0.021 3.690) 7.425 6.017 ( -0.466 2.412 0.056) 2.457 6.471 ( -3.953 -7.304 0.403) 8.315 9.100 ( 0.609 -0.466 -0.796) 1.106 9.152 ( -0.229 0.576 -1.969) 2.064 9.471 ( -0.595 -0.351 3.502) 3.569 9.625 ( 1.405 -0.176 -1.882) 2.355 9.993 ( -1.652 1.124 5.478) 5.831 10.190 ( 0.100 3.016 -4.288) 5.243 11.588 ( -0.319 0.595 2.330) 2.425 11.769 ( 0.628 0.537 -1.758) 1.942 13.171 ( 0.542 -1.874 -0.492) 2.011 13.231 ( 0.546 -1.134 -1.910) 2.288 14.684 ( -0.639 -1.582 -0.473) 1.770 14.787 ( 1.197 0.397 -3.715) 3.923 14.809 ( -0.384 -0.830 5.001) 5.084 15.016 ( -0.836 -1.346 -1.295) 2.046 15.087 ( -1.758 3.497 8.761) 9.596 15.400 ( -0.989 -4.299 -4.577) 6.357 16.116 ( 1.381 3.572 0.398) 3.850 16.187 ( 2.220 3.127 -2.197) 4.419 17.341 ( -0.654 -1.116 1.222) 1.779 17.417 ( 0.237 -0.607 -1.191) 1.357 20.454 ( -0.762 -0.426 2.976) 3.101 20.581 ( 1.266 -2.692 -3.124) 4.314 25.681 ( -1.787 2.376 -0.886) 3.103 25.729 ( -1.584 -2.974 1.017) 3.520 28.486 ( 0.686 -0.484 -0.645) 1.058 28.509 ( -1.242 -0.338 0.710) 1.470 29.602 ( 1.170 -0.993 -0.982) 1.822 29.649 ( -1.633 -0.890 0.980) 2.102 31.873 ( 1.840 1.848 0.359) 2.632 32.094 ( -0.516 4.386 -4.662) 6.422 32.149 ( 2.386 6.343 3.882) 7.810 32.228 ( -1.940 5.685 0.509) 6.028 32.814 ( 3.913 0.815 -0.405) 4.018 33.208 ( -4.215 -2.398 1.248) 5.007 33.852 ( 3.413 2.030 -1.820) 4.368 34.353 ( -1.804 -11.240 0.818) 11.413 ======================= Grid point 132 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 1.347 1.761 -0.347) 2.244 1.424 ( 1.737 2.174 -0.965) 2.945 1.503 ( -2.847 1.749 3.194) 4.623 1.594 ( 1.051 -3.997 -1.364) 4.352 1.754 ( -2.114 -2.088 6.850) 7.467 2.011 ( 1.251 8.608 -0.064) 8.699 2.106 ( -2.010 7.649 1.939) 8.143 2.219 ( 5.220 4.332 -3.652) 7.704 2.290 ( -2.497 1.377 1.422) 3.187 2.406 ( 3.654 4.354 -0.454) 5.702 2.524 ( -10.174 -1.256 8.112) 13.072 2.544 ( 5.293 0.372 -3.751) 6.498 2.634 ( 9.918 4.179 -7.071) 12.878 2.712 ( -5.342 4.565 -1.361) 7.157 2.905 ( -5.759 3.410 2.295) 7.075 3.102 ( 7.707 4.894 -3.823) 9.897 3.163 ( 1.021 1.456 -2.435) 3.015 3.217 ( -6.084 1.132 -0.362) 6.199 3.367 ( 1.211 0.109 4.362) 4.529 3.478 ( -1.244 5.443 2.390) 6.073 3.520 ( 12.824 6.867 -3.334) 14.924 3.628 ( 2.952 -0.614 2.294) 3.789 3.829 ( 0.602 4.279 -3.237) 5.399 3.874 ( -3.219 5.991 -2.771) 7.344 4.340 ( 2.729 -1.268 -1.550) 3.385 4.420 ( -12.186 3.913 5.572) 13.959 4.668 ( 0.210 1.460 2.539) 2.936 4.834 ( -0.332 6.601 2.558) 7.087 4.865 ( 0.239 -1.376 0.741) 1.581 5.273 ( -3.046 -0.004 -8.559) 9.085 5.353 ( 4.320 -7.165 0.828) 8.407 5.375 ( -2.957 -3.946 -0.394) 4.947 5.647 ( -6.688 -1.752 3.922) 7.949 5.713 ( 7.005 -1.623 -4.231) 8.344 6.033 ( 3.628 -1.569 6.347) 7.478 6.579 ( -3.597 -9.817 -4.428) 11.354 9.125 ( 1.181 -1.649 -1.523) 2.536 9.147 ( -0.152 -1.160 -2.154) 2.451 9.493 ( -0.189 -1.195 4.491) 4.651 9.634 ( 1.142 0.117 -1.392) 1.804 9.973 ( -3.442 0.459 5.354) 6.381 10.129 ( 1.404 3.245 -4.084) 5.402 11.583 ( -0.114 0.605 2.979) 3.042 11.758 ( 0.202 0.432 -2.450) 2.496 13.199 ( 0.393 -1.065 -0.726) 1.347 13.243 ( 0.895 -0.200 -2.309) 2.484 14.690 ( -0.615 -0.158 -0.590) 0.867 14.772 ( 0.489 0.709 -4.262) 4.348 14.837 ( -1.747 -1.121 5.009) 5.422 14.998 ( 0.484 1.634 -1.229) 2.101 15.077 ( -1.234 0.412 11.427) 11.501 15.474 ( 1.345 -5.745 -4.647) 7.510 16.066 ( -0.218 2.977 0.647) 3.054 16.150 ( 1.422 2.343 -2.488) 3.702 17.355 ( -0.606 -0.677 1.301) 1.587 17.426 ( 0.500 -0.479 -1.476) 1.631 20.452 ( -0.829 0.714 2.958) 3.154 20.620 ( 1.176 -1.621 -3.740) 4.242 25.658 ( -0.405 -0.454 3.087) 3.146 25.830 ( 0.512 -9.935 -2.191) 10.186 28.500 ( 0.470 -0.251 -0.174) 0.560 28.508 ( -0.600 -0.773 0.205) 1.000 29.633 ( 1.502 -1.207 -0.687) 2.046 29.650 ( -1.420 -0.778 0.643) 1.742 31.861 ( 1.671 1.536 0.253) 2.284 31.994 ( -2.601 3.857 -3.356) 5.737 32.066 ( 1.150 6.016 2.831) 6.747 32.123 ( -1.837 4.997 0.759) 5.378 32.834 ( 3.689 1.365 0.821) 4.018 33.157 ( -6.544 0.802 -4.737) 8.118 33.870 ( 5.534 3.270 8.707) 10.823 34.493 ( -1.892 -8.118 -5.706) 10.101 ======================= Grid point 133 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -5.379 7.475 5.155) 10.554 1.379 ( 0.959 5.118 1.298) 5.366 1.495 ( -0.139 -1.291 0.797) 1.523 1.656 ( 0.974 -2.884 -3.104) 4.347 1.672 ( -2.404 10.364 3.472) 11.192 1.881 ( 5.411 10.950 -3.544) 12.717 1.956 ( -4.971 6.935 4.621) 9.703 2.140 ( 3.374 9.050 -1.409) 9.761 2.202 ( -0.336 6.642 -0.412) 6.663 2.351 ( -4.527 2.733 -3.373) 6.272 2.442 ( -1.093 4.463 2.555) 5.257 2.485 ( -7.029 -2.522 6.806) 10.103 2.631 ( 4.903 -0.952 -5.757) 7.622 2.725 ( 6.523 1.342 -3.000) 7.305 2.821 ( -3.811 6.775 3.039) 8.347 2.998 ( 0.041 8.223 0.179) 8.225 3.081 ( 1.441 6.584 -0.129) 6.741 3.181 ( -2.112 7.292 0.732) 7.627 3.297 ( -2.047 5.582 -4.777) 7.626 3.376 ( 0.784 1.841 4.846) 5.243 3.518 ( 8.840 3.811 -5.624) 11.149 3.656 ( 4.026 6.684 -4.580) 9.048 3.711 ( 3.738 -0.600 1.026) 3.922 3.867 ( 2.982 0.801 -2.175) 3.777 4.221 ( -13.768 3.919 10.316) 17.645 4.420 ( 3.905 -0.590 -1.339) 4.170 4.680 ( 0.297 2.716 1.218) 2.991 4.704 ( 1.176 0.025 0.974) 1.527 4.884 ( -2.134 0.848 4.429) 4.989 5.176 ( 0.304 4.134 -9.449) 10.319 5.407 ( -5.277 -4.232 1.591) 6.949 5.535 ( 0.482 -4.439 2.386) 5.063 5.659 ( 1.287 -5.822 -3.943) 7.148 5.790 ( 1.310 -3.635 -2.181) 4.436 6.161 ( 5.741 -4.138 10.929) 13.020 6.676 ( -6.419 -8.942 -10.946) 15.524 9.153 ( 0.053 -1.933 -1.554) 2.480 9.194 ( 0.602 -4.500 -2.233) 5.059 9.533 ( -0.073 -1.863 4.597) 4.961 9.631 ( 0.208 0.856 -0.290) 0.927 9.940 ( -4.254 0.423 3.612) 5.597 10.091 ( 3.534 2.762 -2.681) 5.225 11.583 ( 0.271 0.559 3.567) 3.621 11.746 ( -0.050 0.124 -3.019) 3.022 13.206 ( -0.061 0.161 -1.359) 1.370 13.240 ( 0.991 0.740 -2.388) 2.689 14.678 ( -0.715 0.465 -0.000) 0.853 14.756 ( 0.345 0.177 -3.086) 3.110 14.829 ( -2.900 0.992 4.685) 5.598 14.978 ( 1.701 1.813 -1.499) 2.903 15.108 ( -1.183 -1.115 14.818) 14.907 15.586 ( 2.887 -6.622 -5.312) 8.967 16.022 ( -0.240 1.870 1.005) 2.137 16.120 ( -0.455 0.969 -2.695) 2.899 17.358 ( -0.615 -0.000 1.383) 1.514 17.435 ( 0.565 -0.505 -1.704) 1.864 20.437 ( -0.716 1.139 3.011) 3.298 20.633 ( 0.784 -0.217 -5.112) 5.176 25.708 ( -0.865 -4.166 8.862) 9.831 26.065 ( 0.774 -18.279 -5.848) 19.208 28.501 ( -0.691 -0.181 0.478) 0.860 28.524 ( 0.745 -0.733 -0.465) 1.144 29.646 ( -1.288 -0.561 0.438) 1.472 29.670 ( 1.245 -1.307 -0.536) 1.883 31.859 ( 1.778 0.769 0.367) 1.972 31.902 ( -3.388 2.441 -1.839) 4.562 32.003 ( 2.973 4.196 1.703) 5.417 32.026 ( -0.917 4.559 0.266) 4.658 32.839 ( 1.845 1.992 2.341) 3.585 33.049 ( -4.583 2.655 -7.896) 9.508 33.868 ( 5.169 8.262 16.418) 19.093 34.548 ( -2.859 -3.987 -13.000) 13.895 ======================= Grid point 134 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -7.180 11.990 9.425) 16.857 1.238 ( -1.543 13.519 4.083) 14.207 1.461 ( 0.817 8.867 -1.015) 8.963 1.513 ( 0.131 2.957 -0.741) 3.052 1.687 ( 0.775 1.377 -5.663) 5.880 1.715 ( 3.056 6.805 -0.430) 7.472 1.849 ( 1.318 4.074 1.551) 4.554 2.019 ( -0.021 6.956 2.917) 7.543 2.115 ( 3.043 4.996 -1.473) 6.032 2.238 ( -5.287 3.218 -1.296) 6.323 2.386 ( 4.228 6.707 1.812) 8.133 2.455 ( -4.927 12.630 3.520) 14.007 2.531 ( -0.417 5.290 0.342) 5.318 2.619 ( 1.868 16.519 4.608) 17.251 2.747 ( 3.723 -1.890 -5.437) 6.855 2.913 ( -0.967 0.431 -0.380) 1.124 3.004 ( 2.516 3.487 1.006) 4.416 3.075 ( 0.766 3.304 3.380) 4.788 3.183 ( 0.816 6.579 -8.736) 10.966 3.399 ( 1.336 -2.115 2.002) 3.205 3.511 ( -0.617 1.298 -3.375) 3.669 3.600 ( 13.918 4.852 -8.721) 17.126 3.789 ( 0.773 -2.668 1.378) 3.101 3.853 ( 4.151 3.216 -3.289) 6.196 4.081 ( -8.361 3.027 12.373) 15.237 4.422 ( 4.403 4.532 -4.357) 7.675 4.607 ( 0.016 2.361 6.246) 6.677 4.837 ( -4.647 0.915 3.879) 6.122 4.896 ( 3.756 -12.564 1.261) 13.174 5.118 ( 6.128 2.560 -7.178) 9.779 5.384 ( -8.224 -0.917 3.058) 8.822 5.570 ( 0.564 0.847 7.760) 7.826 5.784 ( 8.461 -1.433 -5.254) 10.062 5.845 ( -7.644 -8.100 -7.924) 13.669 6.321 ( 3.806 -4.324 12.274) 13.559 6.665 ( -10.073 -4.104 -17.274) 20.413 9.191 ( -0.867 -3.267 -0.269) 3.391 9.283 ( -0.414 -6.338 -2.585) 6.857 9.567 ( -1.302 -0.754 3.356) 3.678 9.610 ( -0.771 0.930 0.869) 1.488 9.912 ( -1.468 -0.000 1.266) 1.938 10.085 ( 4.922 2.156 -0.929) 5.453 11.593 ( 0.850 0.281 3.989) 4.089 11.735 ( -0.145 -0.097 -3.659) 3.663 13.183 ( -0.663 1.606 -2.170) 2.780 13.222 ( 0.558 1.572 -2.055) 2.647 14.670 ( -0.412 -0.019 1.237) 1.304 14.746 ( -1.199 0.142 -2.590) 2.857 14.795 ( -1.896 1.049 5.617) 6.020 14.952 ( 1.669 2.716 -1.334) 3.456 15.182 ( -2.499 -3.510 17.890) 18.402 15.716 ( 2.877 -7.111 -5.699) 9.556 16.019 ( 1.878 -0.314 2.310) 2.993 16.085 ( -2.733 0.294 -3.161) 4.190 17.353 ( -0.617 0.329 1.407) 1.571 17.441 ( 0.364 -0.130 -1.766) 1.808 20.421 ( -0.888 0.812 2.667) 2.926 20.609 ( -0.113 1.462 -6.516) 6.679 25.841 ( -4.084 -9.676 17.712) 20.592 26.419 ( -2.802 -26.561 -9.615) 28.387 28.497 ( -0.764 -0.053 0.332) 0.835 28.541 ( 0.607 -0.636 -0.341) 0.942 29.642 ( -1.714 -0.477 0.123) 1.784 29.699 ( 0.677 -0.996 -0.222) 1.225 31.836 ( -3.060 1.152 -0.911) 3.395 31.865 ( 1.317 0.787 1.276) 1.995 31.962 ( 2.977 2.662 -0.939) 4.102 32.031 ( 10.136 0.242 0.634) 10.158 32.806 ( -1.581 2.741 1.953) 3.718 32.947 ( 0.093 3.938 -6.342) 7.466 33.772 ( 3.766 15.063 20.924) 26.056 34.479 ( -4.679 2.282 -21.600) 22.219 ======================= Grid point 138 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 10.239 0.000 -10.371) 14.574 1.169 ( -7.481 -0.000 -3.680) 8.337 1.306 ( 6.842 0.000 -4.569) 8.227 1.600 ( 13.349 0.000 -2.911) 13.663 1.725 ( 4.121 0.000 -1.139) 4.275 1.807 ( 5.769 0.000 2.282) 6.204 1.925 ( -3.401 -0.000 -1.914) 3.902 1.989 ( 15.604 0.000 11.879) 19.611 2.086 ( 4.572 0.000 5.289) 6.991 2.259 ( 6.499 0.000 -0.671) 6.534 2.305 ( 16.887 0.000 -2.887) 17.132 2.326 ( 5.957 0.000 -7.149) 9.305 2.547 ( 13.458 0.000 3.302) 13.858 2.704 ( 2.958 0.000 -3.143) 4.316 2.771 ( 3.010 0.000 3.152) 4.358 2.928 ( -14.120 -0.000 14.314) 20.107 3.083 ( 10.789 0.000 -7.271) 13.010 3.107 ( 8.424 0.000 0.420) 8.434 3.307 ( -5.266 -0.000 -4.639) 7.018 3.317 ( -2.823 -0.000 -4.309) 5.151 3.390 ( 1.744 0.000 2.965) 3.440 3.826 ( 7.730 0.000 6.917) 10.373 3.926 ( -1.873 -0.000 3.773) 4.213 4.011 ( 11.423 0.000 -7.804) 13.834 4.427 ( 6.889 0.000 8.479) 10.925 4.495 ( 1.857 0.000 -0.529) 1.931 4.678 ( -3.772 -0.000 -0.762) 3.848 4.726 ( 5.287 0.000 1.564) 5.514 5.156 ( -9.974 -0.000 -5.963) 11.620 5.184 ( 0.619 0.000 -2.654) 2.725 5.358 ( -0.562 -0.000 12.932) 12.944 5.385 ( -2.623 -0.000 1.472) 3.008 5.538 ( 6.313 0.000 -5.465) 8.349 6.000 ( -6.781 -0.000 -2.896) 7.373 6.231 ( -10.418 -0.000 0.427) 10.427 6.405 ( -2.441 -0.000 -9.152) 9.472 9.200 ( -3.587 -0.000 2.040) 4.126 9.259 ( -3.425 -0.000 -2.202) 4.072 9.515 ( 0.161 0.000 -1.678) 1.685 9.574 ( 0.821 0.000 0.234) 0.854 10.148 ( -1.942 -0.000 5.061) 5.421 10.248 ( 4.994 0.000 -2.517) 5.592 11.618 ( -0.380 -0.000 -0.800) 0.886 11.764 ( 1.928 0.000 1.122) 2.230 13.049 ( -0.088 -0.000 2.442) 2.444 13.134 ( 0.540 0.000 -2.266) 2.330 14.622 ( -0.050 -0.000 0.108) 0.119 14.797 ( 1.929 0.000 -1.771) 2.619 14.870 ( 0.527 0.000 0.354) 0.635 14.879 ( 1.380 0.000 -0.727) 1.560 15.160 ( -6.754 -0.000 16.100) 17.459 15.509 ( -7.997 -0.000 -9.332) 12.290 16.232 ( 2.088 0.000 -2.937) 3.604 16.284 ( 4.010 0.000 3.474) 5.306 17.314 ( -1.186 -0.000 -1.031) 1.571 17.345 ( -0.468 -0.000 0.212) 0.514 20.363 ( -0.547 -0.000 2.068) 2.139 20.391 ( 1.784 0.000 -3.279) 3.733 25.946 ( -12.920 -0.000 15.076) 19.855 26.181 ( -19.877 -0.000 -13.540) 24.050 28.485 ( 0.235 0.000 -0.137) 0.272 28.514 ( -1.164 -0.000 0.274) 1.196 29.570 ( -0.015 -0.000 -0.393) 0.393 29.633 ( -2.485 -0.000 0.355) 2.510 31.909 ( 3.842 0.000 1.465) 4.111 32.247 ( 6.492 0.000 -4.362) 7.821 32.370 ( 0.539 0.000 0.793) 0.959 32.604 ( 0.099 0.000 -2.855) 2.857 32.812 ( -3.558 -0.000 3.642) 5.091 32.896 ( -0.771 -0.000 -1.189) 1.417 33.413 ( 13.729 0.000 14.983) 20.322 34.085 ( 8.439 0.000 -13.764) 16.146 ======================= Grid point 139 (60/117) ======================= q-point: ( 0.40 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -5.654 -4.669 -3.885) 8.299 1.241 ( 6.064 -4.045 -6.155) 9.540 1.393 ( 5.978 -2.010 0.339) 6.316 1.623 ( 0.519 3.621 -1.095) 3.818 1.742 ( -1.602 3.514 1.001) 3.989 1.895 ( 9.955 -7.308 -3.305) 12.784 2.045 ( 13.297 -1.137 4.273) 14.013 2.081 ( 4.131 -6.335 5.081) 9.111 2.237 ( 6.843 -3.106 1.130) 7.599 2.297 ( 4.514 -0.430 1.919) 4.924 2.407 ( 2.376 -3.050 1.178) 4.042 2.505 ( 17.972 -3.564 -6.971) 19.604 2.682 ( 4.112 -0.809 -1.757) 4.545 2.735 ( 8.204 -2.651 -4.067) 9.533 2.799 ( -8.476 1.370 8.068) 11.782 2.848 ( -1.455 -2.631 7.767) 8.328 3.153 ( -2.667 5.918 -1.714) 6.714 3.163 ( 5.973 0.617 0.994) 6.086 3.183 ( 8.179 -1.710 -4.133) 9.323 3.380 ( 2.294 -4.603 -2.339) 5.649 3.448 ( -0.678 -3.815 0.880) 3.973 3.773 ( 5.133 9.528 3.828) 11.480 3.994 ( 4.859 -1.620 2.250) 5.594 4.147 ( 7.953 -3.501 -5.910) 10.509 4.423 ( -2.179 5.058 2.870) 6.210 4.545 ( 2.638 -2.862 2.656) 4.712 4.628 ( -5.007 -0.235 -2.120) 5.442 4.826 ( 3.421 -3.254 3.052) 5.622 5.004 ( -5.444 3.105 -3.846) 7.353 5.190 ( -0.473 -0.206 -2.224) 2.283 5.313 ( 2.300 3.774 5.249) 6.862 5.468 ( -2.098 -3.718 4.342) 6.089 5.554 ( 5.889 1.874 -7.797) 9.949 5.883 ( -8.878 3.353 0.059) 9.490 6.173 ( -9.580 -3.120 0.948) 10.119 6.330 ( -3.096 1.988 -4.591) 5.883 9.159 ( -2.439 1.563 1.233) 3.148 9.222 ( -2.049 0.624 -1.394) 2.556 9.501 ( 0.111 1.160 -0.259) 1.194 9.591 ( 0.837 -0.910 -1.075) 1.638 10.113 ( -2.155 2.696 5.041) 6.109 10.283 ( 3.152 0.116 -3.910) 5.024 11.614 ( -0.054 0.334 1.156) 1.205 11.781 ( 1.351 0.111 0.253) 1.379 13.066 ( -0.081 -1.320 1.738) 2.184 13.144 ( 0.575 -1.196 -1.897) 2.315 14.624 ( 0.062 -0.038 0.411) 0.417 14.804 ( 1.520 0.080 -3.180) 3.526 14.855 ( 1.589 1.916 0.691) 2.583 14.904 ( -0.075 -1.356 -0.531) 1.458 15.158 ( -5.524 -1.392 13.164) 14.344 15.404 ( -4.739 1.670 -7.287) 8.851 16.241 ( 2.765 0.734 -2.833) 4.026 16.304 ( 2.562 2.141 1.609) 3.707 17.303 ( -0.780 -0.169 -0.016) 0.798 17.355 ( -0.516 -1.484 -0.444) 1.633 20.375 ( -0.166 -1.098 2.397) 2.642 20.422 ( 1.737 -2.251 -2.940) 4.090 25.848 ( -9.771 2.505 10.064) 14.249 25.956 ( -11.417 3.496 -9.789) 15.440 28.484 ( 0.303 0.324 -0.324) 0.549 28.505 ( -1.087 -0.174 0.430) 1.182 29.572 ( 0.316 -0.196 -0.605) 0.710 29.616 ( -2.391 -0.596 0.588) 2.533 31.940 ( 3.334 1.210 2.097) 4.121 32.278 ( 5.173 1.719 -5.256) 7.572 32.338 ( 1.006 3.375 0.591) 3.571 32.631 ( -2.769 2.559 -3.811) 5.361 32.691 ( 1.733 0.952 5.876) 6.200 32.962 ( -1.334 -4.916 -1.713) 5.374 33.658 ( 5.996 -9.989 12.781) 17.294 34.082 ( 5.548 4.165 -10.818) 12.851 ======================= Grid point 140 (61/117) ======================= q-point: ( 0.50 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -3.048 -8.954 4.164) 10.335 1.337 ( 4.407 -2.987 -3.228) 6.225 1.464 ( 3.152 -0.517 -0.121) 3.197 1.573 ( 0.570 1.937 -1.497) 2.513 1.679 ( -2.597 0.546 2.883) 3.918 2.076 ( 6.765 -2.330 -4.895) 8.669 2.123 ( 10.480 1.261 5.046) 11.699 2.295 ( -0.367 -3.823 2.980) 4.861 2.319 ( 2.360 -1.901 0.546) 3.079 2.390 ( 0.217 -5.463 1.269) 5.613 2.454 ( 2.853 -4.712 0.922) 5.586 2.635 ( 6.170 3.871 -3.082) 7.909 2.639 ( -10.125 0.239 13.243) 16.672 2.803 ( 1.979 -0.560 0.251) 2.072 2.860 ( 20.646 -4.271 -15.564) 26.206 2.955 ( -3.415 -1.844 2.177) 4.449 3.113 ( 5.878 -4.600 -2.017) 7.732 3.238 ( 2.327 -6.415 -0.404) 6.836 3.295 ( 9.004 0.307 1.110) 9.078 3.444 ( 0.240 -2.153 0.971) 2.374 3.509 ( -1.644 -4.942 0.969) 5.298 3.701 ( 5.924 5.263 0.066) 7.925 4.007 ( -1.333 6.107 -0.978) 6.327 4.179 ( 1.472 3.624 -2.699) 4.752 4.338 ( 3.729 1.602 -0.352) 4.074 4.579 ( -6.705 -1.841 -5.325) 8.758 4.606 ( -0.323 -1.381 2.989) 3.309 4.831 ( -4.214 2.949 6.555) 8.333 5.008 ( 3.703 -2.511 -0.491) 4.501 5.170 ( 0.135 1.461 -1.111) 1.841 5.283 ( 0.568 2.839 2.096) 3.574 5.463 ( -2.188 0.556 0.106) 2.260 5.604 ( 9.501 -0.513 -6.120) 11.313 5.743 ( -9.050 2.933 2.698) 9.889 6.115 ( -6.655 0.815 0.258) 6.709 6.287 ( -4.330 -2.321 -0.454) 4.934 9.119 ( -0.883 1.353 0.668) 1.748 9.189 ( -0.954 1.096 -1.368) 1.996 9.484 ( -0.103 1.003 1.598) 1.890 9.609 ( 1.021 -0.766 -2.316) 2.645 10.060 ( -2.498 2.579 5.440) 6.518 10.277 ( 1.962 1.787 -5.136) 5.781 11.611 ( 0.050 0.698 2.611) 2.703 11.787 ( 0.808 0.393 -0.876) 1.255 13.099 ( 0.125 -2.024 0.773) 2.171 13.171 ( 0.421 -1.878 -1.620) 2.516 14.629 ( -0.265 -0.636 0.937) 1.163 14.805 ( 1.592 0.359 -4.281) 4.582 14.841 ( 1.512 2.011 1.930) 3.171 14.928 ( -1.065 -2.432 0.107) 2.657 15.163 ( -4.798 -0.520 9.592) 10.738 15.330 ( -1.264 0.909 -5.218) 5.445 16.237 ( 2.663 2.373 -1.871) 4.028 16.281 ( 1.397 2.598 -0.586) 3.007 17.306 ( -0.556 -0.749 0.908) 1.302 17.377 ( -0.267 -1.684 -0.918) 1.936 20.407 ( -0.505 -1.864 2.637) 3.268 20.476 ( 1.633 -3.044 -2.692) 4.379 25.747 ( -6.302 2.477 5.283) 8.588 25.796 ( -4.415 3.624 -5.348) 7.825 28.480 ( 0.239 0.215 -0.268) 0.418 28.500 ( -0.889 -0.177 0.324) 0.963 29.578 ( 0.513 -0.377 -0.606) 0.879 29.612 ( -1.868 -1.105 0.652) 2.266 31.945 ( 2.444 2.149 2.079) 3.862 32.249 ( 2.579 4.122 -5.713) 7.502 32.301 ( 1.505 2.773 0.714) 3.235 32.486 ( -1.493 8.208 1.035) 8.406 32.781 ( 2.054 -3.764 1.971) 4.719 33.043 ( -0.764 -6.018 0.273) 6.072 33.900 ( 1.169 -10.243 4.482) 11.242 34.008 ( 2.329 4.302 -4.833) 6.877 ======================= Grid point 141 (62/117) ======================= q-point: ( 0.60 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -3.291 -7.637 7.260) 11.040 1.422 ( 3.890 -3.650 -3.018) 6.128 1.466 ( 1.841 2.339 -0.511) 3.020 1.546 ( -0.961 1.112 -0.792) 1.670 1.697 ( -0.705 -1.388 6.568) 6.750 2.111 ( 2.507 -1.422 -5.899) 6.566 2.230 ( 4.004 -1.309 1.115) 4.358 2.295 ( -4.984 1.435 4.509) 6.872 2.322 ( -2.322 -0.168 1.583) 2.815 2.404 ( 3.284 0.769 1.308) 3.618 2.503 ( -4.067 2.161 6.981) 8.363 2.640 ( 6.440 1.374 -0.751) 6.627 2.683 ( 0.035 -2.809 0.538) 2.861 2.842 ( -0.883 0.647 0.942) 1.444 2.897 ( -3.916 -5.322 -0.427) 6.621 3.044 ( 19.785 4.292 -11.947) 23.507 3.230 ( 0.084 -3.296 -1.893) 3.801 3.318 ( -1.873 -1.179 -4.940) 5.413 3.370 ( 3.540 -1.485 -2.471) 4.565 3.509 ( 2.231 -1.617 4.396) 5.188 3.627 ( 1.806 -3.381 -1.580) 4.146 3.707 ( -0.627 -4.731 0.008) 4.772 3.806 ( 0.364 7.999 3.600) 8.779 4.120 ( 7.696 7.786 -0.650) 10.967 4.380 ( 3.650 1.065 -3.242) 4.997 4.503 ( -10.751 0.075 -2.669) 11.077 4.642 ( -0.945 -3.576 3.838) 5.330 4.727 ( -5.305 3.058 4.460) 7.575 5.044 ( 0.611 1.978 0.580) 2.150 5.158 ( 0.489 -0.629 -2.930) 3.036 5.270 ( 2.196 0.566 1.900) 2.958 5.429 ( -1.132 2.007 -0.924) 2.483 5.629 ( -7.516 1.298 4.525) 8.868 5.694 ( 9.361 -0.332 -5.390) 10.807 6.048 ( -2.106 1.471 2.587) 3.645 6.310 ( -4.651 -5.535 -1.504) 7.385 9.103 ( 0.263 0.416 0.230) 0.543 9.158 ( -0.355 1.117 -1.883) 2.218 9.478 ( -0.258 0.332 3.265) 3.292 9.623 ( 1.105 -0.596 -3.024) 3.275 10.012 ( -3.243 1.823 5.915) 6.988 10.237 ( 1.824 2.890 -5.440) 6.424 11.607 ( 0.083 0.851 3.403) 3.509 11.779 ( 0.349 0.641 -1.978) 2.109 13.140 ( 0.347 -2.204 0.213) 2.241 13.202 ( 0.324 -1.869 -1.838) 2.641 14.649 ( -0.190 -1.590 0.692) 1.745 14.796 ( 1.199 0.742 -4.846) 5.047 14.829 ( 0.294 1.321 4.000) 4.222 14.965 ( -0.966 -2.900 -0.271) 3.069 15.133 ( -3.795 1.692 7.647) 8.703 15.329 ( 1.323 -2.181 -3.510) 4.339 16.194 ( 0.635 4.024 -0.305) 4.086 16.247 ( 1.418 2.584 -2.539) 3.890 17.321 ( -0.359 -1.058 1.400) 1.791 17.399 ( 0.031 -1.305 -1.240) 1.800 20.437 ( -0.976 -1.527 2.573) 3.147 20.536 ( 1.500 -3.028 -2.521) 4.216 25.687 ( -3.268 0.052 1.987) 3.825 25.708 ( -0.353 2.825 -2.044) 3.505 28.482 ( 0.176 -0.317 -0.018) 0.363 28.496 ( -0.522 -0.146 0.033) 0.543 29.594 ( 0.820 -0.900 -0.259) 1.244 29.617 ( -1.356 -1.135 0.357) 1.804 31.930 ( 1.524 2.447 1.875) 3.439 32.159 ( -0.208 5.487 -6.047) 8.168 32.269 ( 1.301 3.381 1.554) 3.942 32.340 ( -0.584 8.333 2.118) 8.618 32.854 ( 3.454 -1.097 1.561) 3.945 33.114 ( -3.807 -3.671 -0.775) 5.345 33.932 ( 5.542 3.133 -1.491) 6.538 34.120 ( -3.840 -12.452 1.200) 13.086 ======================= Grid point 142 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -1.637 -2.501 0.883) 3.117 1.442 ( 1.417 1.705 -0.628) 2.304 1.505 ( -1.950 -0.835 0.882) 2.297 1.526 ( 1.110 -3.148 0.248) 3.347 1.731 ( -0.105 -1.293 9.382) 9.471 2.112 ( -0.827 3.663 0.222) 3.761 2.194 ( -3.826 1.372 -2.509) 4.776 2.248 ( -0.185 2.738 0.118) 2.747 2.316 ( -1.383 0.038 1.352) 1.934 2.440 ( -5.981 0.948 5.631) 8.269 2.454 ( 1.342 -0.723 -2.249) 2.717 2.665 ( 11.027 6.700 1.056) 12.946 2.694 ( -10.134 2.150 2.135) 10.577 2.745 ( 1.291 -1.608 -2.112) 2.951 2.943 ( -4.635 2.533 -7.570) 9.230 3.096 ( 10.279 -1.211 -4.700) 11.368 3.210 ( -7.929 3.203 0.521) 8.567 3.279 ( 8.811 2.855 -4.394) 10.251 3.402 ( 3.658 0.612 4.252) 5.642 3.536 ( -0.749 1.875 2.808) 3.458 3.583 ( -2.725 2.410 2.535) 4.435 3.736 ( -1.367 -4.722 -6.342) 8.024 3.886 ( 6.542 2.142 0.636) 6.913 4.017 ( 8.345 12.614 -4.610) 15.811 4.320 ( -11.790 2.381 3.922) 12.651 4.398 ( 1.096 0.266 -1.073) 1.557 4.703 ( 0.902 -0.689 3.758) 3.925 4.761 ( -1.848 -8.044 3.961) 9.155 4.971 ( 0.586 6.813 0.340) 6.846 5.165 ( -2.566 -3.229 -6.199) 7.445 5.311 ( 2.224 -1.301 1.051) 2.783 5.358 ( -1.035 3.045 -1.579) 3.583 5.573 ( -6.173 -0.787 3.424) 7.103 5.764 ( 7.292 0.182 -3.807) 8.227 6.069 ( 3.904 -1.345 7.644) 8.688 6.368 ( -5.061 -7.722 -5.116) 10.555 9.110 ( 0.768 -0.706 -0.379) 1.109 9.134 ( -0.148 0.562 -2.366) 2.437 9.488 ( -0.430 -0.568 4.392) 4.449 9.633 ( 0.763 -0.474 -2.993) 3.125 9.968 ( -3.873 1.296 5.538) 6.881 10.192 ( 2.585 3.009 -4.411) 5.933 11.605 ( 0.091 0.783 3.718) 3.800 11.762 ( 0.060 0.695 -2.786) 2.872 13.178 ( 0.349 -1.720 -0.168) 1.763 13.227 ( 0.359 -1.391 -2.197) 2.624 14.674 ( 0.037 -1.062 -0.502) 1.175 14.776 ( 0.613 0.868 -4.707) 4.826 14.830 ( -0.964 -0.082 5.659) 5.741 14.995 ( -0.062 -1.349 -1.962) 2.382 15.100 ( -3.255 0.790 9.419) 9.997 15.398 ( 3.346 -4.120 -3.255) 6.226 16.122 ( -0.960 3.864 0.140) 3.984 16.201 ( 0.705 3.157 -2.753) 4.248 17.340 ( -0.241 -0.952 1.493) 1.787 17.414 ( 0.208 -0.839 -1.486) 1.719 20.453 ( -1.161 -0.582 2.644) 2.945 20.588 ( 1.258 -2.287 -2.840) 3.857 25.673 ( 0.734 1.264 0.747) 1.642 25.704 ( -0.838 -4.093 -0.533) 4.212 28.490 ( -0.712 -0.518 0.205) 0.904 28.500 ( 0.738 -0.439 -0.207) 0.883 29.620 ( -0.663 -1.308 0.164) 1.475 29.626 ( 0.653 -0.901 -0.090) 1.117 31.907 ( 0.721 2.117 1.656) 2.783 32.037 ( -1.858 5.267 -4.838) 7.389 32.205 ( -0.863 5.580 1.536) 5.852 32.216 ( 2.462 7.279 2.110) 7.968 32.893 ( 2.680 0.889 2.646) 3.870 33.084 ( -5.319 -0.221 -5.110) 7.379 33.979 ( 6.663 0.241 7.174) 9.794 34.277 ( -4.456 -11.254 -5.296) 13.212 ======================= Grid point 143 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -2.533 4.082 -0.056) 4.804 1.426 ( -0.491 1.199 -1.067) 1.679 1.481 ( -1.632 0.223 3.054) 3.470 1.602 ( 0.566 -3.367 -1.405) 3.692 1.789 ( 0.694 0.996 7.906) 7.999 1.995 ( -2.687 6.125 4.541) 8.084 2.111 ( 2.098 8.266 -4.404) 9.598 2.209 ( -4.082 -0.494 -1.609) 4.415 2.274 ( -1.911 3.629 0.075) 4.102 2.360 ( -6.690 3.399 0.119) 7.505 2.416 ( -1.612 1.824 -1.600) 2.914 2.478 ( -7.564 3.976 -2.347) 8.862 2.683 ( 8.572 3.112 0.535) 9.135 2.826 ( -1.765 -3.153 4.470) 5.748 2.878 ( 5.707 3.744 -5.774) 8.940 3.077 ( -6.599 4.259 2.998) 8.407 3.174 ( 5.048 1.583 -2.424) 5.820 3.267 ( 7.043 6.493 -5.524) 11.057 3.387 ( -6.215 7.691 0.547) 9.903 3.425 ( 1.091 1.521 4.479) 4.854 3.595 ( -1.254 -0.559 7.031) 7.164 3.743 ( -0.299 3.969 -4.981) 6.376 3.826 ( 4.134 -0.219 -4.294) 5.964 3.956 ( 13.486 7.170 -9.673) 18.079 4.167 ( -12.985 2.287 9.274) 16.120 4.449 ( 4.985 -0.247 2.119) 5.423 4.704 ( 1.152 2.586 4.243) 5.101 4.837 ( 0.660 5.565 -3.348) 6.528 4.868 ( -2.089 -0.037 6.346) 6.681 5.191 ( -0.185 -3.253 -8.552) 9.152 5.273 ( -4.869 -0.948 -0.385) 4.975 5.433 ( 3.196 -6.196 -0.289) 6.977 5.553 ( -4.270 -2.805 1.082) 5.222 5.810 ( 4.464 0.188 -1.234) 4.635 6.195 ( 6.296 -3.159 11.810) 13.752 6.427 ( -6.829 -8.252 -10.367) 14.907 9.124 ( -0.506 -0.693 -2.344) 2.496 9.140 ( 0.960 -1.947 -1.021) 2.399 9.513 ( -0.908 -1.408 4.590) 4.886 9.634 ( -0.141 -0.057 -1.967) 1.973 9.927 ( -3.201 0.971 3.915) 5.149 10.164 ( 3.543 2.415 -2.479) 4.953 11.605 ( 0.085 0.539 3.666) 3.707 11.742 ( 0.058 0.524 -3.151) 3.195 13.199 ( 0.013 -0.584 -0.671) 0.889 13.241 ( 0.424 -0.573 -2.343) 2.449 14.680 ( 0.020 0.131 -0.520) 0.537 14.755 ( 0.286 0.589 -3.406) 3.469 14.837 ( -1.419 0.382 5.193) 5.397 15.003 ( 1.235 -0.003 -2.240) 2.558 15.102 ( -3.589 -1.317 11.085) 11.726 15.504 ( 4.173 -5.015 -4.384) 7.860 16.056 ( -1.051 2.507 0.605) 2.785 16.140 ( -0.777 2.872 -2.484) 3.876 17.354 ( -0.239 -0.419 1.354) 1.438 17.424 ( 0.237 -0.663 -1.530) 1.684 20.452 ( -1.056 0.372 3.005) 3.207 20.616 ( 0.816 -0.943 -3.785) 3.985 25.682 ( 0.559 -0.835 3.928) 4.054 25.811 ( -0.793 -9.985 -3.035) 10.466 28.490 ( -0.610 -0.326 -0.037) 0.692 28.518 ( 0.776 -0.717 0.068) 1.059 29.623 ( -1.173 -0.680 -0.350) 1.400 29.658 ( 1.078 -1.248 0.306) 1.677 31.882 ( -1.014 1.547 0.906) 2.059 31.933 ( -0.328 3.644 -2.218) 4.278 32.114 ( 0.594 5.362 0.415) 5.411 32.128 ( 3.206 5.927 1.380) 6.878 32.880 ( -2.656 1.671 2.540) 4.037 33.032 ( 0.369 1.021 -5.497) 5.603 34.054 ( 5.444 2.444 13.067) 14.365 34.372 ( -4.759 -7.673 -11.020) 14.246 ======================= Grid point 144 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.333 8.600 0.846) 8.744 1.369 ( -1.787 4.227 0.409) 4.607 1.490 ( -1.134 -1.267 2.125) 2.722 1.645 ( -0.036 -2.173 -3.002) 3.706 1.691 ( 2.914 11.995 1.234) 12.406 1.888 ( -3.643 8.130 1.697) 9.069 1.944 ( 1.419 6.616 -1.272) 6.885 2.133 ( -6.289 5.124 0.527) 8.129 2.199 ( 1.462 1.479 -0.409) 2.119 2.235 ( -0.488 5.099 -2.508) 5.703 2.401 ( -4.646 -2.401 3.020) 6.039 2.465 ( 2.544 -1.390 -1.320) 3.185 2.731 ( 5.018 -0.199 1.004) 5.122 2.743 ( -1.816 9.897 -1.970) 10.253 2.860 ( 5.072 4.590 -0.642) 6.871 2.967 ( -1.433 5.162 3.587) 6.448 3.083 ( -1.723 5.217 -1.662) 5.740 3.217 ( 2.753 4.845 -9.162) 10.724 3.258 ( 2.874 7.018 1.242) 7.685 3.430 ( 1.123 -0.358 4.705) 4.850 3.531 ( -0.982 4.962 2.373) 5.587 3.744 ( -0.874 -1.752 0.197) 1.968 3.833 ( 12.023 7.864 -5.802) 15.493 3.949 ( 3.150 1.500 -4.422) 5.633 4.080 ( -3.443 0.687 8.935) 9.600 4.501 ( 4.245 0.369 2.552) 4.967 4.709 ( 1.526 5.534 1.397) 5.908 4.741 ( 0.432 -3.848 1.087) 4.022 4.843 ( -1.590 1.688 1.891) 2.992 5.201 ( 5.547 1.678 -7.011) 9.096 5.267 ( -7.375 -3.760 0.645) 8.303 5.531 ( -2.368 -4.227 3.542) 6.002 5.626 ( -1.850 -7.862 -4.648) 9.319 5.840 ( 2.999 0.186 0.804) 3.111 6.340 ( 3.429 -2.940 13.323) 14.068 6.437 ( -7.938 -5.875 -15.095) 18.038 9.134 ( -0.846 -1.993 -1.796) 2.813 9.190 ( 0.123 -3.614 -1.335) 3.855 9.538 ( -2.032 -1.420 3.499) 4.288 9.619 ( -1.037 0.658 -0.291) 1.262 9.906 ( -0.657 0.046 1.982) 2.089 10.163 ( 4.152 1.671 -0.600) 4.515 11.611 ( 0.025 0.085 3.141) 3.142 11.728 ( 0.398 0.315 -3.068) 3.109 13.191 ( -0.528 0.831 -1.363) 1.682 13.239 ( 0.305 0.582 -2.023) 2.127 14.676 ( 0.444 0.344 0.522) 0.767 14.738 ( -0.572 0.682 -1.744) 1.958 14.817 ( -1.586 1.465 4.730) 5.199 15.002 ( 1.867 1.507 -1.846) 3.028 15.143 ( -3.632 -3.421 11.910) 12.913 15.609 ( 2.366 -5.225 -6.978) 9.033 16.033 ( 0.511 0.143 1.400) 1.497 16.079 ( -1.406 1.858 -1.793) 2.940 17.357 ( -0.395 0.210 1.218) 1.297 17.432 ( 0.116 -0.537 -1.419) 1.521 20.439 ( -0.942 1.044 3.321) 3.606 20.610 ( 0.170 0.767 -4.956) 5.018 25.738 ( -1.552 -4.135 8.639) 9.703 26.002 ( -3.217 -16.018 -6.403) 17.547 28.489 ( -0.487 -0.180 -0.184) 0.551 28.536 ( 0.369 -0.548 0.275) 0.716 29.620 ( -1.132 -0.379 -0.619) 1.345 29.686 ( 0.265 -0.971 0.461) 1.107 31.833 ( -1.748 1.550 -0.720) 2.445 31.907 ( 2.268 1.312 1.287) 2.919 32.042 ( 2.733 3.796 -1.259) 4.844 32.123 ( 6.933 0.633 0.613) 6.989 32.816 ( -4.538 1.595 0.010) 4.811 33.013 ( 3.819 2.967 -1.503) 5.064 34.060 ( 3.456 7.545 16.615) 18.572 34.365 ( -5.873 -2.017 -16.240) 17.387 ======================= Grid point 149 (66/117) ======================= q-point: ( 0.40 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -4.560 -0.000 3.829) 5.955 1.239 ( 6.142 0.000 -6.921) 9.253 1.458 ( 7.166 0.000 2.847) 7.711 1.665 ( -0.146 -0.000 -0.414) 0.439 1.745 ( -5.493 -0.000 1.309) 5.647 1.945 ( 1.801 0.000 1.521) 2.357 1.945 ( 13.442 0.000 -1.750) 13.555 2.224 ( 0.103 0.000 -2.240) 2.242 2.280 ( 7.003 0.000 5.719) 9.041 2.345 ( 1.980 0.000 -0.612) 2.072 2.396 ( 8.110 0.000 6.716) 10.530 2.530 ( -0.778 -0.000 -8.631) 8.666 2.689 ( -15.950 -0.000 16.045) 22.624 2.755 ( 8.318 0.000 -0.075) 8.319 2.832 ( 11.461 0.000 6.562) 13.207 2.907 ( 15.584 0.000 -11.884) 19.598 3.135 ( -6.321 -0.000 -4.176) 7.576 3.188 ( -1.922 -0.000 -1.796) 2.631 3.269 ( 7.747 0.000 1.739) 7.940 3.359 ( 8.432 0.000 -0.713) 8.462 3.453 ( 3.154 0.000 1.011) 3.312 3.869 ( -4.164 -0.000 -1.348) 4.376 4.051 ( 7.736 0.000 3.108) 8.337 4.189 ( 10.872 0.000 -5.684) 12.268 4.398 ( -10.699 -0.000 3.014) 11.115 4.526 ( -3.633 -0.000 -5.256) 6.389 4.628 ( 2.114 0.000 6.053) 6.412 4.835 ( 2.102 0.000 1.084) 2.365 4.960 ( -1.818 -0.000 -4.019) 4.411 5.186 ( 1.112 0.000 -2.512) 2.748 5.414 ( -2.801 -0.000 10.169) 10.548 5.417 ( 4.430 0.000 -1.162) 4.580 5.605 ( 6.436 0.000 -7.493) 9.878 5.820 ( -10.447 -0.000 -0.061) 10.447 6.055 ( -8.210 -0.000 4.033) 9.147 6.303 ( -3.062 -0.000 -4.911) 5.787 9.155 ( -2.079 -0.000 1.517) 2.574 9.206 ( -1.158 -0.000 -1.178) 1.652 9.515 ( 0.464 0.000 -0.543) 0.714 9.585 ( 0.558 0.000 -1.179) 1.304 10.121 ( -3.900 -0.000 5.361) 6.629 10.304 ( 3.446 0.000 -5.643) 6.612 11.625 ( 0.357 0.000 2.701) 2.725 11.794 ( 0.840 0.000 -0.082) 0.844 13.059 ( -0.368 -0.000 2.101) 2.133 13.134 ( 0.814 0.000 -2.017) 2.175 14.630 ( 0.534 0.000 0.317) 0.621 14.803 ( 0.759 0.000 -4.297) 4.363 14.886 ( 0.974 0.000 -0.368) 1.041 14.893 ( 0.331 0.000 -0.999) 1.053 15.133 ( -5.002 -0.000 12.724) 13.672 15.367 ( -2.142 -0.000 -4.420) 4.912 16.264 ( 2.731 0.000 -2.658) 3.811 16.342 ( 0.651 0.000 0.341) 0.735 17.296 ( -0.205 -0.000 -0.275) 0.343 17.335 ( -0.572 -0.000 -0.080) 0.577 20.369 ( -0.486 -0.000 2.270) 2.321 20.414 ( 2.211 0.000 -2.473) 3.317 25.803 ( -8.735 -0.000 7.374) 11.432 25.869 ( -6.321 -0.000 -7.356) 9.699 28.491 ( 0.513 0.000 -0.388) 0.643 28.495 ( -0.968 -0.000 0.470) 1.076 29.573 ( 0.600 0.000 -0.585) 0.838 29.589 ( -2.124 -0.000 0.572) 2.199 31.989 ( 2.543 0.000 3.377) 4.227 32.326 ( 4.792 0.000 -6.485) 8.064 32.380 ( -0.189 -0.000 1.843) 1.852 32.578 ( -0.476 -0.000 -4.301) 4.328 32.758 ( -3.463 -0.000 3.707) 5.073 32.877 ( -0.287 -0.000 -1.598) 1.624 33.672 ( 4.103 0.000 13.264) 13.885 34.148 ( 5.625 0.000 -9.842) 11.336 ======================= Grid point 150 (67/117) ======================= q-point: ( 0.50 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -2.282 -6.031 10.044) 11.936 1.307 ( 4.143 -3.266 -4.335) 6.828 1.516 ( 5.168 1.328 1.649) 5.585 1.622 ( 0.109 3.164 -0.575) 3.217 1.688 ( -2.548 1.849 3.972) 5.069 2.066 ( 4.873 -4.138 -3.185) 7.143 2.115 ( 1.268 -12.153 2.093) 12.397 2.235 ( -1.946 -3.280 -0.168) 3.817 2.293 ( 3.462 4.062 4.721) 7.126 2.352 ( -0.592 -0.735 -1.383) 1.674 2.471 ( -0.257 -0.454 1.061) 1.183 2.573 ( -1.615 -4.095 4.069) 5.994 2.599 ( -8.166 -3.240 7.814) 11.758 2.780 ( 1.818 0.155 -1.335) 2.261 2.906 ( -0.504 2.190 0.117) 2.251 3.034 ( 12.634 1.162 -5.284) 13.744 3.119 ( 0.436 -5.316 -0.134) 5.335 3.203 ( 9.928 -0.994 -8.186) 12.906 3.363 ( 5.934 -0.053 1.225) 6.060 3.441 ( 8.905 -0.900 1.097) 9.017 3.477 ( 0.960 0.356 1.480) 1.799 3.792 ( -1.673 3.013 -3.511) 4.920 4.045 ( -7.692 3.558 0.148) 8.477 4.262 ( 6.959 0.924 -0.729) 7.058 4.340 ( -2.647 -1.761 0.293) 3.193 4.461 ( -6.818 -1.398 -8.455) 10.952 4.650 ( 2.842 2.136 6.427) 7.345 4.835 ( -2.428 0.727 0.496) 2.583 4.997 ( 3.475 -2.516 1.241) 4.466 5.177 ( 0.263 0.788 -3.323) 3.425 5.363 ( -2.600 3.635 5.950) 7.442 5.469 ( 4.274 0.290 -1.828) 4.658 5.667 ( 9.605 -0.903 -5.904) 11.310 5.699 ( -10.221 1.794 1.896) 10.549 6.023 ( -6.698 -2.148 5.269) 8.788 6.255 ( -1.460 1.049 -3.632) 4.052 9.134 ( -0.876 0.946 1.287) 1.822 9.192 ( -0.395 0.543 -1.087) 1.278 9.508 ( 0.369 1.101 0.734) 1.374 9.595 ( 0.551 -0.961 -2.275) 2.530 10.081 ( -3.963 1.658 5.180) 6.730 10.307 ( 2.485 1.047 -6.128) 6.695 11.634 ( 0.474 0.547 3.816) 3.884 11.796 ( 0.351 0.288 -0.870) 0.981 13.072 ( -0.472 -1.349 1.598) 2.144 13.146 ( 0.785 -1.027 -1.815) 2.228 14.632 ( 0.299 0.357 0.811) 0.935 14.802 ( 1.056 -0.604 -5.188) 5.328 14.883 ( 0.173 0.842 -0.193) 0.881 14.894 ( -0.019 -0.466 -0.146) 0.489 15.129 ( -4.749 -0.669 10.162) 11.237 15.339 ( 0.887 1.227 -2.456) 2.885 16.278 ( 2.379 0.639 -2.096) 3.234 16.323 ( -0.759 1.785 -1.059) 2.210 17.297 ( -0.006 -0.188 0.572) 0.602 17.344 ( -0.301 -1.485 -0.637) 1.643 20.380 ( -0.859 -1.208 2.103) 2.573 20.444 ( 1.985 -1.799 -2.042) 3.369 25.733 ( -6.387 1.383 4.266) 7.805 25.801 ( -0.592 1.851 -4.311) 4.728 28.485 ( -0.411 0.274 0.288) 0.572 28.495 ( 0.168 0.013 -0.245) 0.297 29.575 ( -0.572 -0.234 0.195) 0.648 29.584 ( -0.236 -0.637 -0.163) 0.698 32.006 ( 1.363 1.500 3.772) 4.282 32.318 ( 2.657 2.992 -7.417) 8.427 32.356 ( 0.374 2.467 1.871) 3.119 32.555 ( -2.171 2.321 -4.528) 5.532 32.744 ( 0.247 -2.368 5.973) 6.430 32.933 ( -0.264 -5.671 -1.725) 5.934 33.774 ( -1.037 -5.478 9.793) 11.269 34.125 ( 4.700 5.041 -7.720) 10.348 ======================= Grid point 151 (68/117) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -3.898 -7.851 9.465) 12.901 1.388 ( 2.529 -3.514 -2.266) 4.887 1.521 ( 2.030 2.439 0.134) 3.176 1.571 ( -0.034 2.681 -1.397) 3.023 1.697 ( 1.669 -1.035 8.801) 9.017 2.078 ( -3.141 -1.160 -8.272) 8.924 2.208 ( -8.098 -0.875 8.204) 11.561 2.278 ( 2.369 -0.707 1.704) 3.003 2.332 ( -1.183 0.323 -1.751) 2.138 2.419 ( 2.016 -6.584 0.102) 6.886 2.493 ( -1.147 -6.136 3.074) 6.958 2.525 ( -5.329 1.504 7.751) 9.526 2.695 ( 2.380 -2.462 2.711) 4.368 2.781 ( -4.003 -1.976 -3.796) 5.860 2.901 ( -1.611 -1.724 -0.759) 2.479 3.102 ( 3.139 -5.604 -3.331) 7.236 3.168 ( -6.373 -1.445 -3.131) 7.246 3.310 ( 17.557 1.875 -13.200) 22.046 3.429 ( 4.101 -0.606 1.526) 4.418 3.476 ( -6.134 -4.334 0.758) 7.549 3.561 ( 10.347 1.046 1.044) 10.452 3.721 ( -0.762 3.037 -3.297) 4.547 3.894 ( -3.562 3.283 7.851) 9.225 4.256 ( -2.750 0.463 -2.330) 3.634 4.378 ( -9.545 -0.342 -6.151) 11.360 4.398 ( 4.284 -1.606 -1.405) 4.786 4.666 ( 3.495 2.282 6.112) 7.402 4.753 ( -3.363 4.618 0.561) 5.740 5.063 ( 1.442 -1.153 1.525) 2.395 5.150 ( -0.696 0.901 -3.150) 3.350 5.324 ( 1.313 1.224 4.122) 4.496 5.470 ( 2.953 3.165 -2.737) 5.121 5.589 ( -7.820 1.325 2.876) 8.437 5.767 ( 9.865 -0.639 -4.763) 10.973 6.022 ( -3.245 -2.123 5.596) 6.809 6.226 ( -0.607 -0.064 -3.219) 3.276 9.119 ( 0.289 0.861 1.048) 1.387 9.171 ( 0.066 1.205 -1.538) 1.955 9.496 ( 0.011 0.921 2.353) 2.527 9.609 ( 0.641 -0.938 -3.260) 3.452 10.027 ( -3.778 1.973 5.312) 6.810 10.282 ( 1.842 2.083 -5.763) 6.399 11.638 ( 0.397 1.017 4.265) 4.403 11.785 ( -0.030 0.599 -1.905) 1.997 13.103 ( -0.309 -2.280 0.953) 2.490 13.170 ( 0.603 -1.562 -1.796) 2.455 14.636 ( 0.223 -0.396 1.363) 1.437 14.803 ( 1.265 0.257 -5.712) 5.856 14.864 ( -0.892 1.156 1.899) 2.396 14.914 ( -0.014 -1.890 0.342) 1.921 15.117 ( -5.030 -0.368 7.056) 8.673 15.337 ( 3.881 0.665 -1.559) 4.235 16.252 ( -1.186 3.138 -1.178) 3.555 16.285 ( 0.808 1.491 -2.171) 2.755 17.308 ( 0.061 -0.724 1.326) 1.513 17.369 ( 0.053 -1.743 -1.161) 2.095 20.403 ( -1.309 -1.865 1.955) 3.002 20.496 ( 1.723 -2.686 -1.817) 3.672 25.669 ( -3.812 1.024 1.897) 4.379 25.765 ( 3.428 3.023 -1.985) 4.983 28.479 ( -0.303 0.038 0.318) 0.441 28.495 ( 0.337 0.076 -0.300) 0.458 29.580 ( -0.633 -0.900 0.389) 1.167 29.597 ( 0.599 -0.747 -0.302) 1.004 31.990 ( 0.232 2.412 3.591) 4.332 32.232 ( -0.160 5.536 -7.539) 9.355 32.328 ( 0.564 2.360 2.454) 3.451 32.455 ( -1.071 5.356 -1.788) 5.748 32.840 ( 1.115 -4.395 5.113) 6.834 33.019 ( -0.520 -4.285 -1.854) 4.697 33.887 ( -5.324 -9.140 3.410) 11.114 34.058 ( 5.356 5.169 -3.366) 8.169 ======================= Grid point 152 (69/117) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -4.275 -7.607 5.027) 10.070 1.456 ( 0.414 -3.086 -0.891) 3.239 1.483 ( -0.201 2.680 -0.093) 2.689 1.532 ( 0.814 1.360 -1.129) 1.946 1.747 ( -0.365 -0.260 9.134) 9.145 2.076 ( -2.177 -4.088 -7.528) 8.839 2.167 ( -4.420 0.316 6.077) 7.521 2.277 ( -2.716 1.339 -1.448) 3.356 2.311 ( 0.185 1.128 0.914) 1.464 2.450 ( -4.364 3.204 3.470) 6.430 2.463 ( 0.751 -0.549 2.228) 2.414 2.563 ( -7.519 -3.359 0.772) 8.271 2.758 ( -0.092 2.887 -0.828) 3.004 2.797 ( -7.402 -5.815 -3.849) 10.169 2.879 ( 5.769 2.972 0.274) 6.495 3.086 ( -4.903 -3.530 -0.976) 6.120 3.194 ( -2.730 -0.197 -0.102) 2.739 3.430 ( 12.054 -0.183 -7.540) 14.219 3.443 ( -0.983 -0.364 3.434) 3.591 3.475 ( -5.551 -7.961 -6.635) 11.757 3.597 ( -0.515 2.607 -0.499) 2.703 3.658 ( 5.720 4.313 -1.864) 7.402 3.945 ( 1.492 0.449 8.741) 8.878 4.200 ( -10.311 0.750 4.290) 11.193 4.250 ( -4.904 1.153 -10.906) 12.013 4.428 ( 4.914 0.947 -0.155) 5.007 4.659 ( -1.278 -2.064 2.579) 3.542 4.725 ( 5.163 2.040 3.913) 6.792 5.068 ( 1.499 2.531 0.744) 3.034 5.114 ( -2.757 0.653 -1.910) 3.416 5.329 ( -0.457 1.786 1.269) 2.238 5.427 ( 4.665 3.361 -2.109) 6.125 5.522 ( -4.980 0.310 1.268) 5.148 5.828 ( 5.559 0.889 -1.776) 5.903 6.093 ( 4.099 -3.770 5.068) 7.530 6.224 ( -1.597 -1.968 -3.707) 4.491 9.117 ( 0.853 0.447 0.589) 1.129 9.145 ( 0.305 1.331 -2.103) 2.508 9.492 ( -0.448 0.246 3.426) 3.464 9.618 ( 0.374 -0.706 -3.433) 3.525 9.976 ( -3.340 1.803 5.125) 6.377 10.245 ( 1.752 2.251 -4.509) 5.335 11.634 ( 0.107 1.139 4.082) 4.239 11.765 ( -0.141 0.741 -2.684) 2.788 13.145 ( -0.003 -2.432 0.318) 2.453 13.197 ( 0.392 -1.608 -1.948) 2.557 14.658 ( 0.524 -1.130 0.767) 1.463 14.785 ( 0.648 0.948 -4.766) 4.902 14.843 ( -1.590 0.827 4.706) 5.036 14.955 ( 0.430 -2.516 -1.139) 2.795 15.090 ( -4.742 -0.017 5.760) 7.461 15.387 ( 5.789 -1.394 -1.532) 6.148 16.170 ( -2.557 3.593 -0.806) 4.483 16.249 ( 0.026 2.798 -2.119) 3.510 17.328 ( 0.133 -0.923 1.658) 1.902 17.393 ( 0.259 -1.329 -1.500) 2.020 20.426 ( -1.514 -1.723 2.009) 3.049 20.552 ( 1.545 -2.589 -1.957) 3.594 25.643 ( -1.877 -0.938 0.384) 2.133 25.747 ( 4.934 3.593 -0.442) 6.120 28.479 ( -0.207 -0.188 -0.010) 0.280 28.500 ( 0.587 -0.265 0.025) 0.645 29.592 ( -0.543 -1.048 -0.208) 1.199 29.620 ( 1.066 -1.003 0.306) 1.496 31.954 ( -0.807 2.576 3.000) 4.036 32.100 ( -1.724 5.893 -5.906) 8.520 32.284 ( -0.630 3.951 2.050) 4.495 32.358 ( 1.587 6.014 0.121) 6.221 32.908 ( -1.740 -1.161 3.623) 4.184 33.038 ( -0.226 -0.400 -2.657) 2.696 34.002 ( -6.440 -10.596 -3.370) 12.849 34.073 ( 6.852 -0.589 3.134) 7.558 ======================= Grid point 153 (70/117) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.712 -2.772 -1.238) 4.795 1.427 ( -2.361 1.509 -0.816) 2.918 1.502 ( 1.196 0.634 1.455) 1.988 1.548 ( 0.827 -2.855 0.045) 2.973 1.792 ( 0.021 -2.702 9.854) 10.218 2.101 ( -1.546 -1.061 -5.859) 6.152 2.125 ( -0.064 2.256 1.837) 2.910 2.202 ( -3.569 3.705 -2.868) 5.890 2.267 ( -3.815 1.788 0.813) 4.291 2.352 ( -6.294 2.640 1.951) 7.099 2.454 ( -4.417 2.611 -0.871) 5.205 2.456 ( -5.790 4.713 -5.743) 9.420 2.707 ( -3.598 -5.653 4.365) 7.998 2.838 ( -0.198 -4.777 -4.073) 6.281 2.877 ( 6.806 4.679 1.032) 8.323 3.083 ( -6.287 2.945 2.135) 7.263 3.235 ( 4.306 -5.337 3.022) 7.494 3.370 ( -6.254 5.729 1.943) 8.701 3.478 ( 0.658 6.051 0.377) 6.099 3.499 ( 1.464 1.963 -5.596) 6.108 3.594 ( -4.639 -10.881 -3.943) 12.468 3.667 ( 9.581 4.700 1.042) 10.722 3.858 ( -1.990 5.236 -3.367) 6.536 4.073 ( -12.153 1.789 9.013) 15.236 4.187 ( 2.932 2.962 -10.425) 11.227 4.516 ( 6.608 -1.073 3.753) 7.674 4.724 ( -1.270 -3.065 2.605) 4.219 4.772 ( 2.029 -2.817 4.381) 5.590 5.013 ( 3.160 6.993 1.331) 7.788 5.073 ( -5.098 -1.977 -1.344) 5.630 5.273 ( -0.161 2.108 -3.559) 4.139 5.445 ( 6.845 1.302 -2.297) 7.336 5.485 ( -3.694 -0.709 1.085) 3.915 5.851 ( 2.469 0.666 1.303) 2.870 6.215 ( -2.642 -6.047 -8.161) 10.495 6.254 ( 5.947 -1.546 7.839) 9.960 9.113 ( 0.103 0.638 -1.338) 1.486 9.133 ( 1.110 -0.064 -1.122) 1.579 9.499 ( -1.033 -0.522 3.611) 3.792 9.619 ( -0.361 -0.440 -2.462) 2.527 9.934 ( -2.153 1.468 4.144) 4.895 10.219 ( 1.909 1.623 -2.768) 3.734 11.626 ( -0.390 0.878 3.255) 3.394 11.745 ( 0.179 0.650 -2.704) 2.787 13.182 ( 0.188 -1.541 -0.184) 1.564 13.219 ( 0.259 -1.363 -2.224) 2.621 14.680 ( 0.676 -0.442 -0.093) 0.813 14.761 ( 0.242 0.832 -3.028) 3.149 14.841 ( -1.363 -0.337 5.800) 5.968 14.991 ( 0.957 -1.537 -2.872) 3.395 15.069 ( -4.536 -0.863 6.918) 8.317 15.476 ( 5.931 -2.665 -2.947) 7.139 16.087 ( -2.309 2.811 -0.023) 3.638 16.180 ( -1.462 3.563 -1.851) 4.273 17.349 ( 0.115 -0.679 1.564) 1.709 17.409 ( 0.299 -0.813 -1.532) 1.760 20.442 ( -1.390 -1.044 2.426) 2.985 20.596 ( 1.277 -1.534 -2.574) 3.257 25.669 ( -0.983 -3.638 -0.609) 3.818 25.737 ( 3.931 2.481 0.739) 4.706 28.481 ( -0.088 -0.216 -0.414) 0.475 28.515 ( 0.600 -0.613 0.480) 0.983 29.601 ( -0.382 -0.726 -0.925) 1.236 29.650 ( 0.914 -1.101 0.923) 1.703 31.904 ( -2.089 2.496 1.010) 3.408 31.988 ( -0.533 3.836 -2.106) 4.408 32.206 ( -0.217 4.611 0.879) 4.699 32.266 ( 1.812 6.989 0.220) 7.224 32.858 ( -6.105 1.225 -0.473) 6.244 33.062 ( 3.970 -0.013 1.083) 4.116 34.083 ( -5.159 -7.107 -4.521) 9.878 34.202 ( 5.424 -4.313 3.836) 7.921 ======================= Grid point 154 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -1.045 2.404 -3.320) 4.230 1.393 ( -1.854 0.176 -1.865) 2.636 1.483 ( 0.597 1.850 2.671) 3.303 1.602 ( 0.091 -2.407 -0.636) 2.492 1.853 ( 1.109 1.587 6.562) 6.841 2.004 ( 1.884 7.310 -0.954) 7.609 2.026 ( -7.070 6.574 -3.969) 10.438 2.110 ( -4.546 1.416 -0.175) 4.764 2.224 ( -0.484 0.338 -1.553) 1.661 2.275 ( -1.882 -0.023 -1.397) 2.344 2.360 ( -2.204 1.033 -1.436) 2.826 2.442 ( 3.165 -1.895 -1.948) 4.172 2.780 ( -1.643 -1.890 6.135) 6.626 2.848 ( 1.798 5.378 -0.151) 5.673 2.898 ( 1.091 -2.605 -3.079) 4.178 2.995 ( -3.523 1.185 3.743) 5.275 3.166 ( -5.197 7.706 -2.268) 9.567 3.309 ( 5.685 3.975 -3.395) 7.724 3.395 ( 0.482 4.369 -0.668) 4.446 3.446 ( 0.148 2.773 -1.115) 2.992 3.632 ( 1.853 4.282 4.619) 6.565 3.710 ( -2.045 -2.828 -0.040) 3.490 3.823 ( -2.008 -4.883 -1.622) 5.523 4.010 ( -5.482 -2.406 9.323) 11.080 4.132 ( 7.555 5.692 -10.628) 14.228 4.574 ( 3.976 1.231 5.406) 6.823 4.723 ( -1.991 1.117 2.946) 3.727 4.812 ( 0.481 2.132 -1.986) 2.953 4.926 ( 4.299 6.895 2.482) 8.496 5.095 ( -5.710 -6.017 1.107) 8.369 5.264 ( 3.855 -0.051 -4.588) 5.993 5.485 ( -0.474 -0.873 2.882) 3.049 5.496 ( 1.472 -3.640 -4.467) 5.948 5.863 ( -0.019 0.175 3.300) 3.305 6.219 ( -6.060 -4.812 -13.441) 15.510 6.386 ( 5.760 -1.926 10.685) 12.290 9.103 ( -0.133 -0.219 -1.825) 1.843 9.151 ( 0.726 -1.266 -1.030) 1.786 9.508 ( -1.754 -0.889 3.052) 3.630 9.611 ( -0.966 -0.033 -0.951) 1.356 9.914 ( -0.270 0.607 2.908) 2.983 10.211 ( 1.930 0.751 -1.263) 2.426 11.617 ( -0.867 0.344 1.938) 2.151 11.733 ( 0.814 0.425 -1.981) 2.183 13.194 ( -0.077 0.117 -0.680) 0.694 13.234 ( 0.344 -0.718 -2.246) 2.383 14.688 ( 0.901 0.111 0.335) 0.968 14.745 ( 0.106 0.690 -1.064) 1.273 14.841 ( -1.272 1.246 4.548) 4.884 15.018 ( 1.613 -1.298 -2.838) 3.513 15.074 ( -4.710 -2.473 7.823) 9.460 15.556 ( 3.573 -2.220 -5.746) 7.121 16.043 ( -0.422 0.610 0.876) 1.148 16.101 ( -1.751 2.777 -1.063) 3.451 17.360 ( -0.086 -0.032 1.258) 1.261 17.419 ( 0.199 -0.607 -1.269) 1.421 20.448 ( -1.103 -0.103 3.039) 3.234 20.610 ( 0.847 0.117 -3.487) 3.590 25.718 ( 0.490 -1.004 2.630) 2.857 25.771 ( -0.991 -6.027 -2.158) 6.478 28.482 ( -0.016 -0.146 -0.591) 0.609 28.531 ( 0.196 -0.528 0.742) 0.932 29.604 ( -0.279 -0.341 -1.298) 1.371 29.676 ( 0.191 -0.770 1.138) 1.388 31.845 ( -1.612 1.810 -0.630) 2.505 31.951 ( 1.318 1.234 1.193) 2.164 32.132 ( 1.140 4.609 -1.153) 4.886 32.193 ( 2.439 2.495 0.090) 3.490 32.787 ( -4.289 0.658 -1.092) 4.474 33.099 ( 4.457 1.590 3.387) 5.819 34.112 ( -5.852 -4.461 -7.017) 10.168 34.299 ( 3.861 0.744 5.015) 6.373 ======================= Grid point 160 (72/117) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -3.524 -0.000 12.319) 12.813 1.304 ( 3.619 0.000 -3.615) 5.115 1.577 ( 2.593 0.000 2.003) 3.277 1.653 ( -0.465 -0.000 -1.269) 1.351 1.717 ( 1.704 0.000 7.903) 8.084 2.000 ( 1.171 0.000 5.909) 6.024 2.044 ( -3.643 -0.000 -7.572) 8.403 2.189 ( -1.300 -0.000 -1.332) 1.861 2.296 ( -5.865 -0.000 -0.698) 5.906 2.350 ( -3.700 -0.000 6.360) 7.358 2.372 ( -3.716 -0.000 -5.075) 6.290 2.561 ( -3.862 -0.000 10.861) 11.527 2.632 ( 10.007 0.000 5.146) 11.253 2.736 ( -5.583 -0.000 -5.459) 7.808 2.892 ( -10.177 -0.000 -4.372) 11.076 3.114 ( 2.993 0.000 0.024) 2.993 3.140 ( 9.868 0.000 5.507) 11.301 3.179 ( 0.964 0.000 -0.910) 1.326 3.453 ( 0.540 0.000 -1.596) 1.685 3.497 ( 0.154 0.000 0.842) 0.856 3.579 ( 24.062 0.000 -7.626) 25.241 3.772 ( -3.032 -0.000 -5.865) 6.602 3.988 ( -10.057 -0.000 4.904) 11.189 4.249 ( -9.979 -0.000 2.770) 10.357 4.344 ( 2.615 0.000 -1.781) 3.164 4.357 ( -2.104 -0.000 -11.293) 11.487 4.698 ( -0.465 -0.000 6.256) 6.273 4.836 ( 0.376 0.000 -1.237) 1.292 5.017 ( 3.874 0.000 3.160) 5.000 5.168 ( -1.506 -0.000 -4.470) 4.717 5.366 ( -5.112 -0.000 4.940) 7.108 5.549 ( 10.775 0.000 -3.350) 11.283 5.615 ( -10.403 -0.000 1.371) 10.493 5.734 ( 9.745 0.000 -4.492) 10.730 5.982 ( -2.844 -0.000 8.117) 8.601 6.251 ( 1.021 0.000 -4.085) 4.211 9.140 ( -0.314 -0.000 1.428) 1.463 9.194 ( 0.493 0.000 -0.893) 1.020 9.527 ( 0.774 0.000 0.372) 0.859 9.580 ( -0.021 -0.000 -2.277) 2.277 10.070 ( -4.193 -0.000 4.554) 6.190 10.319 ( 1.799 0.000 -6.006) 6.269 11.658 ( 0.735 0.000 4.554) 4.613 11.797 ( -0.134 -0.000 -1.124) 1.132 13.058 ( -0.885 -0.000 1.675) 1.894 13.141 ( 0.942 0.000 -1.681) 1.927 14.642 ( 0.379 0.000 0.615) 0.723 14.786 ( 0.591 0.000 -5.184) 5.218 14.876 ( -1.319 -0.000 -0.946) 1.623 14.896 ( 0.231 0.000 -0.539) 0.586 15.114 ( -4.078 -0.000 9.967) 10.769 15.366 ( 3.472 0.000 -0.964) 3.603 16.299 ( 1.884 0.000 -1.185) 2.226 16.316 ( -2.516 -0.000 -2.276) 3.393 17.301 ( 0.565 0.000 0.402) 0.694 17.324 ( -0.373 -0.000 -0.503) 0.626 20.365 ( -1.247 -0.000 1.626) 2.049 20.442 ( 1.825 0.000 -1.510) 2.368 25.697 ( -5.159 -0.000 2.601) 5.778 25.826 ( 4.600 0.000 -2.604) 5.286 28.483 ( -0.444 -0.000 0.330) 0.553 28.498 ( 0.463 0.000 -0.293) 0.548 29.564 ( -0.726 -0.000 0.408) 0.833 29.583 ( 0.694 0.000 -0.386) 0.794 32.038 ( -0.164 -0.000 4.769) 4.772 32.343 ( 1.199 0.000 -8.411) 8.496 32.389 ( -0.112 -0.000 2.484) 2.487 32.543 ( 0.087 0.000 -4.716) 4.716 32.737 ( -1.254 -0.000 4.513) 4.684 32.867 ( 0.355 0.000 -1.880) 1.913 33.743 ( -3.898 -0.000 11.011) 11.680 34.190 ( 4.114 0.000 -7.755) 8.779 ======================= Grid point 161 (73/117) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -6.157 -5.484 8.451) 11.807 1.344 ( 1.182 -2.650 -3.002) 4.175 1.583 ( 1.228 2.104 1.783) 3.019 1.615 ( -0.239 2.790 -1.702) 3.277 1.759 ( 3.531 1.421 11.097) 11.732 1.971 ( -7.474 -1.137 -8.944) 11.711 2.097 ( -5.788 -5.999 6.100) 10.330 2.217 ( -4.496 -9.653 -0.465) 10.658 2.252 ( -6.710 -2.754 -2.761) 7.761 2.328 ( 1.134 -1.051 3.343) 3.683 2.400 ( -1.487 -3.542 3.021) 4.887 2.552 ( -1.590 2.013 6.247) 6.753 2.661 ( -6.255 -0.385 -5.193) 8.139 2.760 ( 7.719 -2.929 4.331) 9.323 2.776 ( -9.276 -1.050 -5.021) 10.600 3.090 ( -2.461 1.534 2.709) 3.968 3.137 ( -0.241 2.039 -1.330) 2.447 3.324 ( 1.134 -4.832 -1.836) 5.292 3.408 ( -2.869 1.807 0.553) 3.435 3.483 ( 0.145 -0.073 0.622) 0.643 3.689 ( 3.074 2.982 -5.577) 7.032 3.752 ( 4.807 0.072 -6.690) 8.239 3.958 ( 6.609 1.901 8.878) 11.231 4.140 ( -13.555 -0.776 0.662) 13.594 4.266 ( -6.775 -0.098 -9.201) 11.427 4.413 ( 3.700 -2.052 -0.693) 4.287 4.703 ( -2.331 0.563 3.814) 4.506 4.817 ( 0.428 1.236 0.387) 1.364 5.062 ( 1.582 -0.391 2.919) 3.343 5.132 ( -2.886 -0.106 -4.713) 5.527 5.341 ( -1.624 -0.568 3.878) 4.242 5.522 ( -8.232 0.208 1.641) 8.397 5.609 ( 11.110 4.930 -4.532) 12.973 5.830 ( 8.710 -1.208 -3.438) 9.441 6.001 ( 0.534 -0.710 7.994) 8.043 6.249 ( 3.727 1.536 -4.217) 5.833 9.140 ( 0.579 0.586 1.356) 1.586 9.192 ( 1.170 0.983 -1.120) 1.895 9.522 ( 0.355 1.218 1.177) 1.731 9.585 ( 0.074 -1.200 -2.863) 3.105 10.033 ( -3.635 1.169 4.407) 5.831 10.306 ( 0.769 1.051 -5.162) 5.324 11.673 ( 0.722 0.847 4.644) 4.776 11.786 ( -0.499 0.355 -1.766) 1.869 13.067 ( -0.911 -1.554 1.349) 2.251 13.152 ( 0.884 -0.811 -1.566) 1.973 14.643 ( 0.176 0.297 1.098) 1.151 14.787 ( 0.737 -1.025 -5.696) 5.834 14.857 ( -1.806 0.165 -0.042) 1.814 14.901 ( -0.185 -0.762 0.134) 0.796 15.095 ( -4.455 0.755 8.320) 9.468 15.401 ( 6.204 1.076 -0.721) 6.338 16.264 ( -3.525 1.576 -2.551) 4.627 16.306 ( 0.828 0.665 -0.708) 1.276 17.306 ( 0.419 -0.093 0.867) 0.967 17.337 ( 0.180 -1.595 -0.934) 1.857 20.366 ( -1.513 -1.229 1.323) 2.356 20.469 ( 1.513 -1.693 -1.261) 2.597 25.655 ( -3.271 0.685 1.349) 3.604 25.868 ( 8.979 2.447 -1.394) 9.410 28.480 ( -0.071 0.129 0.148) 0.209 28.500 ( 0.338 0.150 -0.105) 0.384 29.565 ( 0.045 -0.417 0.071) 0.426 29.593 ( 0.714 -0.464 -0.040) 0.852 32.032 ( -1.442 1.485 4.914) 5.332 32.285 ( -1.058 3.678 -8.546) 9.364 32.377 ( 0.040 1.953 2.813) 3.425 32.502 ( -0.269 2.993 -4.298) 5.245 32.778 ( -0.170 -4.146 5.402) 6.812 32.934 ( 1.439 -5.925 -2.353) 6.535 33.740 ( -7.763 -2.689 8.204) 11.610 34.170 ( 4.119 3.549 -6.113) 8.181 ======================= Grid point 162 (74/117) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -5.555 -8.285 3.857) 10.695 1.383 ( -3.041 -3.780 -2.483) 5.450 1.538 ( -0.402 3.864 0.602) 3.931 1.566 ( 0.986 1.915 -2.510) 3.307 1.757 ( -4.307 0.893 5.244) 6.844 1.958 ( -1.467 -4.094 -1.442) 4.581 2.112 ( -5.878 -3.014 1.089) 6.695 2.239 ( -4.377 -3.122 1.490) 5.579 2.318 ( -0.651 -2.385 -0.065) 2.473 2.387 ( -6.667 -4.110 1.889) 8.057 2.462 ( -0.888 0.412 1.553) 1.836 2.500 ( -4.717 0.111 1.798) 5.049 2.623 ( -3.922 -2.864 -2.054) 5.273 2.775 ( -5.840 -10.824 -3.847) 12.887 2.849 ( 3.719 1.845 1.288) 4.347 3.004 ( -5.898 1.956 -0.270) 6.220 3.154 ( 0.603 -5.389 1.491) 5.624 3.271 ( -10.181 3.046 -2.192) 10.850 3.371 ( -4.451 -3.228 2.306) 5.962 3.543 ( 1.121 -2.155 2.694) 3.627 3.605 ( -1.164 4.555 -4.729) 6.668 3.794 ( 6.370 -0.369 -3.811) 7.433 3.987 ( -11.216 -1.576 2.881) 11.687 4.104 ( 7.387 0.996 5.361) 9.182 4.157 ( -6.247 1.771 -7.976) 10.285 4.468 ( 1.520 -0.988 -1.276) 2.217 4.637 ( -3.160 1.455 0.438) 3.506 4.845 ( 3.770 0.552 4.241) 5.702 5.076 ( -6.031 -0.536 -0.317) 6.064 5.091 ( 0.994 0.072 -0.032) 0.997 5.362 ( 0.254 0.238 2.001) 2.031 5.469 ( -4.292 -0.935 0.637) 4.439 5.584 ( 10.700 7.355 -5.372) 14.052 5.887 ( 3.341 0.922 0.950) 3.594 6.070 ( 3.800 -2.182 0.666) 4.432 6.257 ( 6.878 1.673 -0.800) 7.124 9.141 ( 1.233 0.752 1.088) 1.809 9.175 ( 1.382 1.983 -1.690) 2.950 9.508 ( -0.261 0.942 2.043) 2.265 9.596 ( 0.050 -0.969 -3.045) 3.196 9.991 ( -2.646 1.614 4.512) 5.474 10.273 ( -0.010 1.443 -3.944) 4.200 11.669 ( 0.032 1.520 3.800) 4.093 11.767 ( -0.306 0.546 -2.121) 2.212 13.099 ( -0.522 -2.639 0.602) 2.756 13.173 ( 0.723 -1.204 -1.465) 2.029 14.651 ( 0.382 -0.603 1.498) 1.659 14.785 ( 0.260 0.124 -5.242) 5.250 14.840 ( -2.287 -0.135 2.140) 3.135 14.924 ( 0.461 -1.755 0.119) 1.819 15.058 ( -4.778 0.455 5.826) 7.549 15.450 ( 8.050 0.968 -1.120) 8.185 16.185 ( -3.994 2.392 -1.796) 4.989 16.282 ( -0.710 2.101 -0.805) 2.359 17.321 ( 0.381 -0.722 1.419) 1.637 17.366 ( 0.526 -1.681 -1.432) 2.270 20.383 ( -1.562 -1.953 1.339) 2.837 20.518 ( 1.499 -2.623 -1.394) 3.327 25.625 ( -1.543 0.333 0.919) 1.827 25.897 ( 10.775 5.310 -0.985) 12.053 28.479 ( 0.259 0.113 -0.223) 0.360 28.502 ( 0.352 -0.069 0.280) 0.455 29.577 ( 0.535 -0.579 -0.538) 0.955 29.614 ( 0.852 -0.955 0.584) 1.407 31.993 ( -2.326 2.407 4.082) 5.279 32.159 ( -2.766 5.554 -6.820) 9.220 32.335 ( -1.791 2.868 1.559) 3.724 32.448 ( 1.855 3.133 -0.926) 3.757 32.859 ( -1.881 -3.028 3.222) 4.804 33.024 ( 1.798 -2.749 -0.772) 3.374 33.748 ( -9.999 -7.625 1.030) 12.617 34.158 ( 6.176 1.320 -1.367) 6.462 ======================= Grid point 163 (75/117) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -4.100 -7.032 -1.756) 8.328 1.423 ( -2.971 -3.904 -0.532) 4.934 1.471 ( -1.411 0.962 1.838) 2.509 1.561 ( 2.682 0.540 -1.928) 3.347 1.753 ( -3.056 -3.944 4.825) 6.941 1.987 ( -2.915 -2.096 -1.714) 3.979 2.122 ( -3.553 -4.076 -6.325) 8.321 2.241 ( -3.957 1.006 1.753) 4.443 2.254 ( -3.111 3.236 -2.030) 4.927 2.348 ( -10.679 5.005 6.031) 13.246 2.408 ( -2.520 0.747 -3.266) 4.193 2.487 ( -0.072 1.074 -0.827) 1.358 2.567 ( -7.152 -5.531 -2.405) 9.356 2.813 ( 3.463 0.984 1.921) 4.080 2.937 ( -0.742 -1.987 -1.929) 2.867 3.066 ( -0.643 -5.281 2.317) 5.803 3.096 ( -9.175 -4.661 3.137) 10.758 3.297 ( -4.080 -9.579 -1.161) 10.476 3.367 ( -8.141 0.218 4.668) 9.387 3.486 ( -5.279 -0.631 -1.902) 5.646 3.616 ( 6.507 2.469 4.487) 8.281 3.825 ( 1.405 1.908 -3.163) 3.952 3.886 ( -8.663 1.525 -1.261) 8.886 4.048 ( -9.155 -4.526 -11.731) 15.554 4.127 ( 7.345 8.523 3.925) 11.916 4.524 ( 2.434 -4.170 3.227) 5.808 4.659 ( 0.172 -4.193 2.096) 4.691 4.848 ( 1.959 3.771 3.784) 5.690 5.004 ( -7.393 0.214 0.102) 7.397 5.109 ( 1.936 0.733 1.751) 2.711 5.319 ( 0.305 3.719 -2.886) 4.718 5.452 ( -1.819 -0.385 -1.835) 2.613 5.583 ( 11.874 4.933 -2.389) 13.078 5.887 ( -0.296 1.371 4.146) 4.377 6.102 ( -0.371 -1.329 -8.460) 8.572 6.351 ( 11.417 -0.301 6.294) 13.041 9.141 ( 1.485 1.775 -0.017) 2.314 9.148 ( 1.198 1.130 -1.641) 2.325 9.498 ( -0.742 0.392 2.297) 2.445 9.599 ( -0.414 -0.584 -2.262) 2.372 9.957 ( -1.323 1.616 4.180) 4.672 10.239 ( -0.448 0.945 -2.614) 2.815 11.647 ( -1.067 1.415 2.070) 2.725 11.752 ( 0.388 0.625 -1.542) 1.709 13.145 ( 0.131 -2.777 -0.405) 2.809 13.196 ( 0.550 -1.145 -1.391) 1.884 14.677 ( 0.878 -0.962 1.100) 1.705 14.764 ( -0.323 0.541 -3.068) 3.132 14.830 ( -2.515 -0.581 4.730) 5.388 14.963 ( 1.074 -1.900 -1.769) 2.809 15.031 ( -3.976 -0.603 4.452) 6.000 15.514 ( 7.838 0.213 -2.577) 8.253 16.103 ( -3.297 2.332 -0.362) 4.055 16.216 ( -2.508 3.379 -1.068) 4.342 17.343 ( 0.268 -0.787 1.618) 1.819 17.393 ( 0.722 -1.179 -1.596) 2.112 20.407 ( -1.421 -1.993 1.736) 3.001 20.572 ( 1.645 -2.254 -1.900) 3.375 25.622 ( -0.589 -0.945 0.860) 1.407 25.886 ( 9.447 7.210 -0.821) 11.912 28.479 ( 0.428 0.061 -0.662) 0.791 28.512 ( 0.399 -0.458 0.761) 0.974 29.589 ( 0.797 -0.429 -1.229) 1.527 29.643 ( 0.741 -1.119 1.218) 1.812 31.929 ( -3.036 2.929 1.249) 4.399 32.034 ( -2.469 3.800 -2.068) 4.981 32.262 ( -2.618 3.280 0.277) 4.206 32.396 ( 1.801 6.034 0.052) 6.297 32.824 ( -5.250 1.845 -1.232) 5.699 33.089 ( 2.642 -2.061 4.646) 5.729 33.815 ( -8.912 -11.237 -6.700) 15.830 34.247 ( 8.270 -2.377 3.737) 9.382 ======================= Grid point 164 (76/117) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -1.847 -4.878 -4.415) 6.833 1.376 ( -1.766 2.441 -1.125) 3.216 1.533 ( -0.465 -2.699 2.682) 3.833 1.568 ( 2.395 0.654 -1.397) 2.849 1.860 ( 2.722 -5.210 4.943) 7.680 1.983 ( -6.983 -3.448 -0.938) 7.844 2.032 ( -8.636 6.225 -4.309) 11.484 2.156 ( -3.274 -0.807 -1.195) 3.578 2.195 ( -3.947 3.458 -1.791) 5.545 2.244 ( 1.264 -2.628 -2.574) 3.890 2.379 ( 3.576 1.890 -2.753) 4.893 2.444 ( 0.211 0.307 -2.062) 2.095 2.692 ( -1.112 -7.641 6.032) 9.799 2.839 ( 0.283 -1.076 0.011) 1.113 2.911 ( -4.447 3.123 0.260) 5.440 2.969 ( -4.569 -1.307 1.111) 4.880 3.228 ( -5.593 1.972 1.545) 6.129 3.326 ( 0.760 -5.574 0.773) 5.678 3.381 ( -2.447 -4.185 -1.265) 5.011 3.475 ( -3.671 -0.875 -2.144) 4.341 3.622 ( 2.344 1.691 6.665) 7.265 3.693 ( -10.296 4.182 1.947) 11.283 3.806 ( -0.667 2.264 -3.944) 4.597 4.053 ( 0.517 2.850 -0.233) 2.905 4.097 ( 1.772 -4.962 -5.517) 7.629 4.599 ( -0.026 -1.601 4.289) 4.578 4.724 ( -0.997 -0.362 0.816) 1.338 4.840 ( 1.511 -1.024 3.005) 3.516 4.941 ( -7.378 -1.824 0.717) 7.633 5.109 ( 5.069 3.993 2.840) 7.050 5.281 ( 2.664 0.460 -3.312) 4.275 5.440 ( -0.671 -0.383 -2.076) 2.215 5.590 ( 8.728 5.605 -2.389) 10.645 5.866 ( -3.507 0.596 5.528) 6.573 6.084 ( -1.563 -1.681 -11.874) 12.094 6.477 ( 9.281 0.812 7.950) 12.247 9.115 ( 1.150 1.708 -1.711) 2.677 9.149 ( 1.047 0.220 -0.761) 1.313 9.494 ( -1.078 -0.109 2.284) 2.528 9.596 ( -0.678 -0.368 -1.022) 1.280 9.938 ( 0.022 1.162 3.503) 3.691 10.218 ( -0.773 0.020 -1.620) 1.795 11.619 ( -1.548 0.751 0.783) 1.891 11.745 ( 0.885 0.490 -0.940) 1.381 13.185 ( 0.542 -1.410 -0.701) 1.665 13.214 ( 0.497 -1.046 -1.903) 2.228 14.699 ( 0.922 -0.149 0.804) 1.232 14.750 ( -0.038 0.093 -0.843) 0.849 14.846 ( -1.748 -1.348 5.656) 6.071 14.982 ( -0.805 -1.020 -2.111) 2.478 15.033 ( -1.714 -1.366 3.541) 4.165 15.565 ( 5.029 0.293 -5.120) 7.182 16.052 ( -1.017 0.975 0.829) 1.635 16.126 ( -2.992 3.076 -0.683) 4.345 17.360 ( 0.050 -0.424 1.439) 1.501 17.409 ( 0.667 -0.547 -1.377) 1.625 20.431 ( -1.184 -1.485 2.389) 3.052 20.608 ( 1.544 -0.761 -2.619) 3.133 25.650 ( -0.767 -2.761 0.363) 2.888 25.838 ( 5.938 6.735 -0.194) 8.981 28.481 ( 0.474 0.028 -0.856) 0.979 28.527 ( 0.103 -0.477 1.035) 1.144 29.598 ( 0.864 -0.086 -1.667) 1.880 29.669 ( 0.165 -0.775 1.516) 1.710 31.857 ( -2.296 2.002 -0.709) 3.127 31.977 ( -0.921 1.070 1.444) 2.019 32.185 ( -2.313 2.520 -0.851) 3.525 32.280 ( -0.516 6.757 -0.875) 6.833 32.757 ( -2.913 0.396 -0.989) 3.101 33.160 ( 2.955 -0.785 6.759) 7.419 33.888 ( -7.463 -9.381 -10.825) 16.152 34.378 ( 7.312 -1.076 5.978) 9.506 ======================= Grid point 171 (77/117) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -7.808 -0.000 4.129) 8.832 1.303 ( -2.795 -0.000 -5.581) 6.241 1.623 ( 1.277 0.000 3.286) 3.525 1.632 ( -0.381 -0.000 -3.142) 3.165 1.844 ( 1.602 0.000 9.502) 9.637 1.860 ( -7.730 -0.000 -7.106) 10.500 2.008 ( -5.939 -0.000 6.110) 8.521 2.013 ( -11.435 -0.000 -1.541) 11.539 2.138 ( -7.216 -0.000 -0.794) 7.260 2.352 ( 2.460 0.000 4.637) 5.249 2.375 ( 0.438 0.000 -0.651) 0.785 2.558 ( -7.976 -0.000 -6.936) 10.570 2.598 ( 0.173 0.000 7.947) 7.948 2.656 ( -9.664 -0.000 -3.553) 10.296 2.797 ( 0.878 0.000 4.092) 4.185 3.058 ( -4.795 -0.000 1.181) 4.938 3.219 ( 2.918 0.000 -0.702) 3.001 3.270 ( -2.372 -0.000 0.815) 2.508 3.390 ( -2.834 -0.000 0.865) 2.963 3.431 ( -6.797 -0.000 -1.948) 7.071 3.687 ( -1.376 -0.000 -9.630) 9.727 3.762 ( -2.150 -0.000 6.983) 7.307 3.959 ( -14.699 -0.000 2.781) 14.960 4.177 ( 18.980 0.000 1.312) 19.025 4.188 ( -4.600 -0.000 -7.420) 8.730 4.401 ( -1.332 -0.000 0.763) 1.535 4.707 ( -0.514 -0.000 4.262) 4.293 4.784 ( -5.236 -0.000 -1.581) 5.470 5.069 ( -4.783 -0.000 -6.966) 8.450 5.100 ( 2.406 0.000 2.568) 3.519 5.319 ( -2.070 -0.000 3.603) 4.155 5.442 ( -8.037 -0.000 0.935) 8.091 5.784 ( 14.851 0.000 -4.920) 15.645 5.873 ( 4.192 0.000 0.108) 4.193 6.047 ( 5.173 0.000 6.479) 8.291 6.308 ( 8.074 0.000 -6.256) 10.214 9.157 ( 1.071 0.000 1.281) 1.670 9.217 ( 2.582 0.000 -0.914) 2.739 9.547 ( 0.898 0.000 0.732) 1.159 9.557 ( -0.714 -0.000 -2.717) 2.810 10.023 ( -3.003 -0.000 3.994) 4.997 10.301 ( -0.737 -0.000 -3.888) 3.958 11.704 ( 1.092 0.000 4.543) 4.672 11.775 ( -1.065 -0.000 -2.023) 2.286 13.047 ( -1.165 -0.000 1.556) 1.944 13.150 ( 0.940 0.000 -1.465) 1.741 14.650 ( -0.084 -0.000 0.947) 0.951 14.764 ( 0.387 0.000 -5.349) 5.363 14.842 ( -1.549 -0.000 -0.036) 1.549 14.883 ( -1.455 -0.000 0.296) 1.485 15.090 ( -4.185 -0.000 8.600) 9.564 15.481 ( 8.563 0.000 -1.310) 8.663 16.227 ( -4.572 -0.000 -2.958) 5.446 16.317 ( 0.057 0.000 0.436) 0.440 17.316 ( 0.019 0.000 -0.941) 0.941 17.320 ( 0.956 0.000 0.590) 1.124 20.344 ( -1.431 -0.000 0.795) 1.637 20.463 ( 1.017 0.000 -0.997) 1.424 25.638 ( -2.011 -0.000 1.321) 2.406 26.004 ( 14.663 0.000 -1.304) 14.721 28.483 ( 0.304 0.000 -0.045) 0.307 28.504 ( 0.104 0.000 0.127) 0.164 29.567 ( 0.952 0.000 -0.334) 1.008 29.595 ( 0.575 0.000 0.321) 0.659 32.040 ( -2.742 -0.000 5.601) 6.236 32.270 ( -3.016 -0.000 -8.918) 9.414 32.408 ( 0.267 0.000 3.171) 3.182 32.523 ( 0.423 0.000 -5.120) 5.138 32.756 ( 0.389 0.000 4.047) 4.065 32.869 ( 1.054 0.000 -1.836) 2.116 33.669 ( -10.053 -0.000 11.199) 15.049 34.210 ( 2.683 0.000 -8.178) 8.607 ======================= Grid point 172 (78/117) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -5.205 -7.032 0.035) 8.748 1.246 ( -9.859 -2.794 -8.186) 13.115 1.592 ( -0.852 3.041 -1.788) 3.629 1.603 ( -0.114 2.701 -1.061) 2.904 1.735 ( -6.412 2.934 0.356) 7.060 1.878 ( -6.326 -5.402 -1.856) 8.523 1.992 ( -4.359 -2.229 5.749) 7.551 2.033 ( -8.653 -12.021 4.064) 15.359 2.173 ( -3.710 -6.985 1.115) 7.988 2.334 ( -3.887 1.429 -2.238) 4.707 2.446 ( -7.839 0.242 -3.619) 8.638 2.471 ( 5.065 -6.497 4.856) 9.562 2.568 ( -5.942 -0.882 -3.848) 7.134 2.591 ( -4.289 2.865 3.058) 5.996 2.813 ( -5.170 -3.857 0.456) 6.466 3.057 ( -4.485 -2.224 4.441) 6.692 3.095 ( 0.155 7.606 0.141) 7.609 3.281 ( -2.697 3.241 -1.514) 4.480 3.294 ( -6.832 0.031 1.337) 6.961 3.438 ( -7.129 -4.247 -1.556) 8.443 3.638 ( -0.714 0.368 -6.958) 7.004 3.754 ( -10.870 -3.301 8.055) 13.926 3.853 ( -3.558 1.410 1.951) 4.295 4.112 ( -4.585 1.803 -5.235) 7.188 4.327 ( 15.102 2.838 3.810) 15.831 4.420 ( -1.188 -3.271 0.304) 3.493 4.648 ( -3.976 3.879 -0.704) 5.600 4.812 ( -0.951 -5.347 2.720) 6.074 4.995 ( -6.872 -0.151 -4.236) 8.074 5.117 ( 2.261 0.778 0.415) 2.427 5.343 ( -0.493 -2.326 2.664) 3.571 5.390 ( -5.643 -2.118 -0.570) 6.055 5.817 ( 9.274 6.765 -2.492) 11.746 5.930 ( 4.382 -0.004 1.295) 4.569 6.119 ( 6.958 1.197 0.692) 7.094 6.369 ( 11.628 1.160 -5.224) 12.800 9.169 ( 1.510 0.516 1.002) 1.884 9.229 ( 3.429 1.922 -1.199) 4.109 9.527 ( -0.389 1.081 -0.138) 1.158 9.571 ( 0.208 -1.039 -1.518) 1.851 10.003 ( -1.970 0.821 4.213) 4.722 10.270 ( -2.137 0.663 -2.585) 3.418 11.708 ( -0.045 1.861 2.628) 3.220 11.762 ( -0.372 -0.269 -1.274) 1.354 13.056 ( -0.888 -1.779 1.216) 2.330 13.161 ( 0.864 -0.700 -1.397) 1.786 14.652 ( 0.069 -0.137 1.793) 1.799 14.761 ( -0.134 -0.899 -5.226) 5.305 14.824 ( -1.768 0.324 1.204) 2.163 14.888 ( -0.980 -2.037 0.175) 2.268 15.057 ( -4.405 1.737 8.076) 9.361 15.555 ( 9.949 1.269 -2.584) 10.357 16.165 ( -4.639 0.999 -1.868) 5.100 16.302 ( -1.356 1.453 0.510) 2.052 17.318 ( 0.368 -0.497 0.255) 0.669 17.343 ( 0.931 -1.246 -0.704) 1.707 20.344 ( -1.072 -1.239 0.647) 1.762 20.486 ( 0.916 -1.978 -1.192) 2.485 25.626 ( -0.587 0.472 2.329) 2.447 26.123 ( 17.965 4.809 -2.053) 18.711 28.485 ( 0.652 0.181 -0.363) 0.768 28.505 ( 0.013 -0.034 0.469) 0.471 29.579 ( 1.526 -0.151 -0.884) 1.770 29.609 ( 0.635 -0.691 0.867) 1.278 32.013 ( -3.449 1.512 5.140) 6.372 32.180 ( -4.480 3.172 -8.173) 9.845 32.371 ( -2.185 3.970 1.170) 4.680 32.503 ( 1.854 0.977 -0.839) 2.258 32.806 ( 0.156 -3.044 3.539) 4.670 32.950 ( 1.566 -6.671 -3.082) 7.514 33.586 ( -13.062 -0.009 9.124) 15.933 34.207 ( 3.636 -0.201 -7.130) 8.006 ======================= Grid point 173 (79/117) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.206 -7.941 -4.835) 9.375 1.212 ( -10.715 -10.487 -2.093) 15.138 1.513 ( -2.374 3.463 0.244) 4.206 1.580 ( 1.963 0.106 -3.412) 3.938 1.663 ( -6.107 -1.319 2.871) 6.876 1.915 ( -9.219 -8.702 -4.780) 13.549 1.991 ( 0.866 1.690 0.093) 1.901 2.149 ( -8.829 -3.575 2.701) 9.900 2.228 ( -8.412 -0.472 -2.221) 8.713 2.293 ( -2.227 -12.725 1.595) 13.017 2.359 ( -10.648 3.674 0.792) 11.292 2.475 ( -5.693 -0.243 -3.551) 6.714 2.502 ( 5.075 4.556 -2.030) 7.116 2.747 ( -0.307 -16.548 3.349) 16.886 2.824 ( -6.260 -3.505 1.111) 7.261 2.945 ( -0.016 4.395 0.642) 4.442 3.107 ( -5.547 3.553 0.570) 6.612 3.164 ( -3.747 -3.689 2.453) 5.803 3.284 ( -4.916 -1.234 3.624) 6.231 3.385 ( -9.222 -2.203 -0.767) 9.512 3.633 ( -6.508 -4.640 -3.535) 8.740 3.713 ( -7.569 -1.143 5.586) 9.476 3.847 ( 2.102 0.187 -1.701) 2.710 3.999 ( -4.289 5.030 -3.645) 7.549 4.396 ( 11.073 9.018 -0.689) 14.297 4.452 ( -3.533 -5.088 3.420) 7.075 4.594 ( -1.647 -3.400 2.393) 4.472 4.876 ( -1.525 -0.949 2.387) 2.987 4.928 ( -6.356 -0.899 -1.015) 6.499 5.137 ( 3.132 0.010 0.127) 3.135 5.354 ( -0.833 1.144 -1.433) 2.014 5.391 ( -3.349 -2.967 -2.899) 5.331 5.794 ( 8.678 4.512 -0.019) 9.781 5.936 ( 2.515 4.179 2.395) 5.433 6.117 ( 3.712 3.451 -5.719) 7.642 6.490 ( 14.922 -0.367 1.453) 14.997 9.174 ( 1.576 0.936 0.161) 1.840 9.211 ( 3.435 3.418 -1.390) 5.042 9.508 ( -0.544 0.759 0.616) 1.119 9.580 ( -0.158 -0.538 -1.375) 1.485 9.985 ( -0.765 1.239 4.197) 4.443 10.228 ( -3.017 0.474 -1.535) 3.418 11.665 ( -1.850 2.026 0.201) 2.751 11.764 ( 0.711 0.365 -0.090) 0.805 13.095 ( 0.046 -2.947 -0.041) 2.947 13.180 ( 0.788 -1.054 -1.141) 1.742 14.673 ( 0.786 -0.984 2.632) 2.918 14.751 ( -0.964 -0.226 -3.314) 3.459 14.809 ( -2.244 -0.117 2.365) 3.263 14.927 ( 0.037 -2.792 -0.926) 2.942 15.012 ( -3.589 0.996 6.779) 7.735 15.611 ( 9.331 2.100 -4.281) 10.478 16.101 ( -3.378 1.359 0.245) 3.649 16.239 ( -3.502 3.131 -0.281) 4.706 17.337 ( 0.294 -0.821 1.280) 1.549 17.374 ( 1.214 -1.500 -1.595) 2.503 20.366 ( -0.717 -1.881 1.047) 2.269 20.537 ( 1.560 -2.990 -1.880) 3.861 25.626 ( 0.394 0.600 3.778) 3.846 26.159 ( 16.947 10.257 -2.961) 20.029 28.486 ( 0.788 0.291 -0.764) 1.135 28.511 ( 0.170 -0.365 0.881) 0.969 29.594 ( 1.859 -0.104 -1.447) 2.358 29.635 ( 0.649 -1.092 1.409) 1.897 31.951 ( -3.867 2.943 1.748) 5.164 32.052 ( -4.814 3.242 -2.784) 6.437 32.277 ( -4.370 3.087 -0.111) 5.351 32.501 ( 2.495 3.442 1.421) 4.483 32.811 ( -3.646 2.030 -1.547) 4.451 33.060 ( 1.070 -5.063 2.140) 5.600 33.528 ( -12.697 -7.909 1.356) 15.020 34.280 ( 7.740 -3.703 -2.785) 9.022 ======================= Grid point 174 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.358 -7.259 -5.330) 9.108 1.354 ( -3.603 -7.511 1.060) 8.398 1.456 ( -0.383 -0.848 0.086) 0.934 1.600 ( 2.084 -0.506 -2.240) 3.101 1.711 ( -4.080 -10.055 3.434) 11.382 1.886 ( -6.740 0.201 -4.114) 7.899 2.017 ( -2.633 -6.221 -5.660) 8.813 2.088 ( -9.757 4.113 4.409) 11.470 2.140 ( -6.138 0.471 -1.286) 6.289 2.190 ( -3.480 -1.729 -2.736) 4.752 2.427 ( 0.152 -1.319 -5.354) 5.516 2.478 ( 4.483 1.329 -1.235) 4.836 2.570 ( 2.952 -8.491 6.238) 10.942 2.816 ( -6.231 -2.039 3.235) 7.310 2.863 ( -5.153 -3.156 -4.403) 7.477 2.958 ( -0.252 4.451 -0.296) 4.468 3.060 ( -3.355 -8.674 1.258) 9.385 3.242 ( -5.785 -8.783 3.859) 11.202 3.267 ( -2.629 -2.507 3.378) 4.961 3.380 ( -4.284 -3.889 -0.895) 5.855 3.607 ( -14.993 -2.168 6.117) 16.337 3.709 ( -1.709 -4.566 -0.466) 4.898 3.809 ( -4.907 6.799 -5.121) 9.825 3.875 ( 0.988 0.645 -1.320) 1.770 4.312 ( 8.375 8.390 -4.078) 12.536 4.525 ( -5.297 -5.868 5.496) 9.628 4.689 ( -0.691 -4.774 4.300) 6.462 4.832 ( -3.253 3.580 0.085) 4.838 4.876 ( -3.680 -0.117 0.272) 3.692 5.184 ( 3.837 -1.279 3.067) 5.076 5.319 ( 3.296 1.746 -4.532) 5.870 5.401 ( -2.302 -2.454 -4.523) 5.637 5.809 ( 9.658 6.118 -0.359) 11.438 5.859 ( -4.117 4.115 4.602) 7.421 6.069 ( 2.274 2.872 -7.922) 8.728 6.634 ( 13.281 1.972 4.593) 14.190 9.164 ( 1.619 1.918 -2.014) 3.218 9.182 ( 2.674 2.821 -0.261) 3.896 9.496 ( -0.335 0.410 1.265) 1.372 9.581 ( -0.421 -0.417 -0.546) 0.806 9.972 ( 0.187 1.303 3.579) 3.814 10.191 ( -3.459 -0.319 -0.899) 3.588 11.617 ( -2.202 1.101 -0.195) 2.469 11.761 ( 0.770 0.658 -0.305) 1.058 13.151 ( 1.116 -2.954 -1.388) 3.449 13.201 ( 0.709 -0.817 -0.984) 1.462 14.705 ( 0.660 -0.473 1.502) 1.708 14.743 ( 0.013 -0.491 -0.372) 0.617 14.806 ( -2.549 -1.749 4.607) 5.548 14.956 ( -0.906 -1.110 -1.785) 2.289 15.008 ( -1.278 -1.160 4.770) 5.073 15.632 ( 6.214 2.790 -6.167) 9.188 16.063 ( -0.639 0.948 1.710) 2.057 16.140 ( -4.535 3.086 -0.579) 5.515 17.355 ( 0.011 -0.654 1.465) 1.605 17.403 ( 1.291 -0.905 -1.570) 2.225 20.397 ( -0.670 -1.934 1.753) 2.695 20.594 ( 2.103 -2.052 -2.704) 3.993 25.635 ( 0.421 0.300 4.240) 4.272 26.090 ( 12.187 13.135 -3.119) 18.187 28.487 ( 0.805 0.251 -0.941) 1.263 28.523 ( 0.083 -0.440 1.105) 1.192 29.608 ( 1.958 0.205 -1.819) 2.680 29.661 ( 0.223 -0.854 1.676) 1.895 31.863 ( -3.296 2.326 -1.081) 4.177 31.979 ( -3.284 0.949 2.027) 3.974 32.183 ( -5.204 2.184 -0.903) 5.716 32.391 ( -3.406 8.534 -1.107) 9.255 32.738 ( -2.093 0.468 -0.848) 2.306 33.161 ( 0.862 -3.907 6.860) 7.941 33.602 ( -8.189 -12.029 -5.813) 15.670 34.432 ( 9.292 -3.394 0.225) 9.895 ======================= Grid point 182 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -4.212 -0.000 -3.838) 5.698 1.070 ( -14.695 -0.000 -10.938) 18.318 1.585 ( -2.127 -0.000 -7.370) 7.671 1.641 ( -12.802 -0.000 -2.818) 13.109 1.672 ( -4.234 -0.000 -0.090) 4.235 1.756 ( -2.066 -0.000 4.000) 4.502 1.799 ( -10.387 -0.000 3.839) 11.073 2.006 ( 2.062 0.000 5.474) 5.849 2.069 ( -4.572 -0.000 2.598) 5.258 2.297 ( -8.099 -0.000 -1.921) 8.324 2.353 ( -9.125 -0.000 -6.520) 11.216 2.393 ( -2.753 -0.000 1.973) 3.387 2.530 ( -4.433 -0.000 4.495) 6.313 2.652 ( 3.734 0.000 0.564) 3.776 2.678 ( -10.340 -0.000 -3.202) 10.824 3.001 ( -6.564 -0.000 10.545) 12.421 3.164 ( -4.284 -0.000 2.700) 5.064 3.210 ( -9.058 -0.000 -3.575) 9.738 3.313 ( 1.862 0.000 0.580) 1.951 3.332 ( -3.294 -0.000 -7.490) 8.182 3.591 ( -2.749 -0.000 -8.326) 8.768 3.628 ( -10.635 -0.000 7.706) 13.133 3.890 ( 1.847 0.000 6.541) 6.797 4.066 ( -5.060 -0.000 -4.028) 6.467 4.335 ( -6.607 -0.000 5.622) 8.675 4.500 ( 7.302 0.000 4.544) 8.601 4.658 ( -2.637 -0.000 -3.299) 4.224 4.764 ( 3.316 0.000 6.617) 7.401 4.913 ( -6.155 -0.000 -8.317) 10.347 5.144 ( 1.056 0.000 -0.939) 1.413 5.312 ( -4.446 -0.000 -0.617) 4.489 5.326 ( 0.393 0.000 3.621) 3.643 5.881 ( -5.198 -0.000 6.679) 8.463 6.028 ( 12.720 0.000 -5.132) 13.716 6.224 ( 9.531 0.000 0.305) 9.536 6.473 ( 13.586 0.000 -11.824) 18.011 9.193 ( 1.888 0.000 0.922) 2.101 9.288 ( 5.336 0.000 -1.246) 5.479 9.523 ( -1.121 -0.000 -2.552) 2.788 9.569 ( 0.917 0.000 0.630) 1.113 10.008 ( -1.164 -0.000 4.649) 4.792 10.239 ( -4.245 -0.000 -1.134) 4.394 11.732 ( -1.814 -0.000 -2.949) 3.462 11.752 ( 1.280 0.000 3.117) 3.370 13.035 ( -1.021 -0.000 1.788) 2.059 13.158 ( 0.819 0.000 -1.642) 1.835 14.659 ( 0.303 0.000 2.850) 2.866 14.733 ( -0.564 -0.000 -4.467) 4.502 14.822 ( -0.884 -0.000 1.315) 1.584 14.852 ( -1.670 -0.000 0.598) 1.774 15.059 ( -4.356 -0.000 9.612) 10.553 15.657 ( 10.508 0.000 -5.063) 11.665 16.125 ( -4.084 -0.000 -0.355) 4.100 16.304 ( -1.968 -0.000 1.108) 2.258 17.314 ( 0.408 0.000 -1.074) 1.149 17.343 ( 1.134 0.000 0.263) 1.164 20.328 ( -0.180 -0.000 0.043) 0.185 20.468 ( 0.246 0.000 -1.296) 1.319 25.644 ( 0.864 0.000 5.686) 5.751 26.368 ( 24.006 0.000 -4.098) 24.353 28.494 ( 1.045 0.000 -0.517) 1.166 28.504 ( -0.272 -0.000 0.654) 0.708 29.593 ( 2.076 0.000 -1.309) 2.454 29.611 ( 0.563 0.000 1.271) 1.390 32.006 ( -4.119 -0.000 5.738) 7.063 32.128 ( -5.930 -0.000 -8.686) 10.517 32.435 ( 0.304 0.000 3.963) 3.974 32.478 ( -2.489 -0.000 -4.612) 5.241 32.792 ( 0.835 0.000 3.575) 3.671 32.886 ( 1.636 0.000 -1.345) 2.118 33.506 ( -13.698 -0.000 12.877) 18.800 34.185 ( 0.828 0.000 -12.830) 12.857 ======================= Grid point 183 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.807 -10.953 -5.494) 12.386 0.916 ( -16.402 -5.107 -4.499) 17.758 1.479 ( -15.262 -2.572 -1.278) 15.530 1.554 ( -5.602 -1.979 -4.114) 7.226 1.587 ( -1.874 3.418 -2.250) 4.501 1.763 ( -1.840 -1.186 2.618) 3.413 1.890 ( -6.342 -12.843 2.802) 14.595 2.020 ( -5.003 -1.999 0.748) 5.439 2.087 ( -1.757 -2.058 -0.165) 2.711 2.172 ( -9.090 2.400 -2.714) 9.786 2.262 ( -11.529 -5.994 -1.518) 13.082 2.392 ( -9.240 2.244 -1.082) 9.570 2.489 ( -2.921 -5.659 4.111) 7.580 2.649 ( -0.053 -5.074 0.372) 5.088 2.689 ( 0.628 -0.433 -1.570) 1.746 2.992 ( -8.176 -2.835 11.708) 14.559 3.047 ( -5.618 5.382 -0.602) 7.803 3.133 ( -3.727 1.831 -3.479) 5.417 3.260 ( -3.555 1.197 -1.753) 4.141 3.320 ( -0.479 0.698 -3.045) 3.160 3.505 ( -5.999 1.269 -4.221) 7.444 3.639 ( -2.837 -4.266 2.327) 5.627 3.888 ( 0.293 2.720 1.236) 3.002 4.019 ( -3.228 0.515 1.010) 3.421 4.320 ( -7.865 -4.176 6.816) 11.214 4.522 ( -5.778 -1.685 1.937) 6.323 4.610 ( 5.874 6.377 -0.004) 8.670 4.837 ( -4.402 -0.700 -2.569) 5.144 4.866 ( 3.004 -3.582 4.659) 6.600 5.149 ( -0.059 -1.666 -3.817) 4.166 5.296 ( -0.795 -1.214 -1.648) 2.195 5.359 ( -0.140 -0.508 1.677) 1.758 5.829 ( -6.967 0.350 7.325) 10.115 6.099 ( 10.870 3.550 -4.651) 12.345 6.247 ( 7.365 6.482 -3.453) 10.401 6.607 ( 15.827 -3.132 -8.375) 18.178 9.208 ( 2.024 0.838 0.638) 2.281 9.311 ( 5.826 3.228 -1.663) 6.865 9.506 ( -0.942 -0.082 -1.597) 1.856 9.577 ( 0.630 0.177 0.193) 0.682 10.009 ( -0.307 0.698 4.785) 4.846 10.187 ( -5.588 -0.043 -0.092) 5.589 11.680 ( -2.289 2.230 -2.105) 3.826 11.775 ( 0.976 -0.140 0.922) 1.350 13.051 ( -0.229 -2.161 1.111) 2.441 13.168 ( 0.764 -0.811 -1.674) 2.010 14.680 ( 1.223 -0.378 4.482) 4.661 14.721 ( -1.122 -0.733 -3.059) 3.340 14.804 ( -1.166 0.872 1.737) 2.266 14.872 ( -0.622 -2.755 -0.211) 2.832 15.030 ( -3.788 1.959 11.172) 11.958 15.720 ( 8.894 1.693 -7.377) 11.678 16.093 ( -1.857 0.522 2.195) 2.922 16.255 ( -3.855 2.940 0.297) 4.857 17.326 ( 0.389 -1.021 -0.036) 1.093 17.362 ( 1.416 -0.852 -0.755) 1.817 20.342 ( 0.754 -1.115 0.186) 1.359 20.491 ( 0.749 -2.848 -2.118) 3.628 25.675 ( 2.385 1.271 10.398) 10.744 26.524 ( 25.216 9.041 -6.159) 27.487 28.499 ( 0.815 0.350 -0.445) 0.993 28.508 ( 0.225 -0.332 0.553) 0.683 29.610 ( 2.343 -0.032 -1.687) 2.887 29.629 ( 0.653 -0.826 1.648) 1.956 31.962 ( -4.460 2.228 2.626) 5.635 32.027 ( -6.439 1.410 -4.419) 7.936 32.306 ( -5.078 6.284 0.292) 8.085 32.548 ( 1.820 -2.733 2.718) 4.262 32.806 ( -1.671 1.177 -1.297) 2.420 32.957 ( 0.947 -6.294 -1.653) 6.576 33.355 ( -16.642 2.634 11.002) 20.124 34.225 ( 4.309 -7.819 -12.521) 15.378 ======================= Grid point 184 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -6.739 -12.478 0.526) 14.191 1.156 ( 5.180 -12.187 -1.695) 13.350 1.437 ( -7.962 -4.154 2.558) 9.338 1.477 ( -11.986 -5.115 -0.367) 13.037 1.586 ( 1.025 -2.300 -4.899) 5.508 1.796 ( -1.761 -3.449 -1.228) 4.063 1.891 ( -6.709 0.676 -4.880) 8.323 1.989 ( -8.496 -2.542 -0.410) 8.877 2.110 ( -6.551 -1.408 -3.520) 7.569 2.148 ( -5.858 -4.019 6.880) 9.889 2.288 ( -5.278 -5.733 -3.147) 8.404 2.338 ( -2.567 -12.837 1.116) 13.139 2.589 ( 2.123 -3.774 -1.172) 4.486 2.689 ( -4.901 -2.666 1.413) 5.755 2.753 ( -2.188 -3.171 -0.890) 3.954 2.956 ( -0.291 -1.059 4.376) 4.512 2.997 ( -8.032 -2.654 4.371) 9.522 3.071 ( -1.219 -0.646 -1.968) 2.404 3.215 ( -3.016 -0.374 -0.844) 3.154 3.295 ( -3.201 -1.474 -1.252) 3.740 3.436 ( -5.018 -1.012 -2.956) 5.911 3.661 ( -2.724 -0.366 0.108) 2.750 3.833 ( -2.300 2.768 -4.376) 5.666 3.961 ( -1.800 4.208 5.891) 7.460 4.352 ( -8.730 -6.419 6.267) 12.517 4.449 ( -0.790 3.589 -6.096) 7.118 4.604 ( -3.775 -2.271 7.224) 8.461 4.836 ( -0.473 -0.994 3.445) 3.616 4.929 ( 3.928 3.360 -0.639) 5.209 5.168 ( -0.577 -2.827 -2.459) 3.791 5.297 ( -4.203 -2.682 -2.763) 5.700 5.367 ( 5.661 0.103 -3.868) 6.857 5.793 ( -8.082 -1.302 7.631) 11.191 6.087 ( 9.560 8.310 -4.066) 13.304 6.170 ( 5.081 7.254 -3.967) 9.705 6.796 ( 15.445 -0.992 -2.256) 15.641 9.205 ( 1.747 1.733 -0.152) 2.466 9.287 ( 5.188 4.975 -1.851) 7.422 9.500 ( -0.164 -0.238 -0.205) 0.354 9.576 ( 0.071 0.282 0.487) 0.567 10.005 ( 0.187 1.137 3.267) 3.464 10.137 ( -5.893 -0.581 0.745) 5.969 11.614 ( -2.800 1.624 -0.988) 3.385 11.778 ( 0.551 0.648 -0.370) 0.928 13.106 ( 1.532 -3.269 -0.925) 3.727 13.188 ( 0.763 -1.174 -1.379) 1.965 14.701 ( -0.906 -0.350 0.360) 1.036 14.740 ( 2.277 -1.283 2.829) 3.851 14.785 ( -1.727 0.461 3.393) 3.835 14.909 ( -1.087 -2.397 -1.591) 3.076 15.007 ( -2.220 0.807 11.121) 11.369 15.725 ( 5.665 3.256 -8.166) 10.459 16.087 ( 1.084 0.852 3.003) 3.305 16.142 ( -5.977 3.573 -0.605) 6.990 17.347 ( -0.063 -0.856 1.258) 1.523 17.394 ( 1.820 -1.280 -1.724) 2.815 20.373 ( 0.785 -1.197 1.017) 1.756 20.559 ( 2.444 -3.667 -3.558) 5.664 25.698 ( 2.405 3.079 12.655) 13.245 26.497 ( 20.038 17.622 -6.903) 27.563 28.499 ( 0.850 0.405 -0.557) 1.094 28.520 ( 0.262 -0.417 0.654) 0.819 29.628 ( 2.537 0.126 -1.918) 3.183 29.656 ( 0.515 -0.812 1.825) 2.063 31.865 ( -4.291 2.645 -1.908) 5.390 31.959 ( -4.649 0.490 2.659) 5.378 32.165 ( -7.194 3.347 -0.261) 7.939 32.496 ( -6.743 10.267 -0.696) 12.303 32.719 ( -2.357 -0.226 -1.639) 2.880 33.077 ( -0.614 -7.301 -0.534) 7.346 33.310 ( -10.549 -10.604 7.278) 16.634 34.424 ( 10.300 -8.431 -8.854) 15.986 ======================= Grid point 193 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -15.790 -0.000 1.315) 15.845 0.726 ( -5.966 -0.000 -3.358) 6.846 1.292 ( -11.957 -0.000 -5.428) 13.131 1.426 ( -9.157 -0.000 -7.742) 11.991 1.628 ( -12.914 -0.000 2.388) 13.133 1.674 ( -1.179 -0.000 -1.282) 1.741 1.770 ( -3.910 -0.000 11.084) 11.754 1.923 ( -8.004 -0.000 -0.352) 8.012 2.044 ( -13.611 -0.000 5.557) 14.702 2.067 ( -3.289 -0.000 -2.855) 4.355 2.164 ( -5.334 -0.000 -4.870) 7.223 2.290 ( -2.521 -0.000 2.419) 3.494 2.444 ( -9.243 -0.000 -7.158) 11.691 2.528 ( 1.117 0.000 8.175) 8.252 2.751 ( 4.975 0.000 -3.247) 5.941 2.910 ( -9.234 -0.000 13.826) 16.626 3.067 ( -2.261 -0.000 -2.875) 3.658 3.105 ( -1.140 -0.000 -15.823) 15.864 3.246 ( -0.546 -0.000 1.271) 1.383 3.305 ( -2.936 -0.000 -2.952) 4.164 3.497 ( -2.411 -0.000 -4.190) 4.834 3.569 ( -0.898 -0.000 4.863) 4.946 3.941 ( -4.708 -0.000 -4.411) 6.451 3.956 ( 0.604 0.000 4.409) 4.450 4.228 ( -8.644 -0.000 9.563) 12.891 4.445 ( -6.927 -0.000 1.507) 7.089 4.734 ( 4.304 0.000 2.229) 4.847 4.750 ( -4.969 -0.000 -7.686) 9.152 4.900 ( 4.146 0.000 11.201) 11.944 5.069 ( -6.040 -0.000 -2.892) 6.697 5.322 ( 3.981 0.000 -2.095) 4.499 5.367 ( 0.960 0.000 4.037) 4.150 5.762 ( -11.176 -0.000 8.444) 14.008 6.207 ( 8.655 0.000 -5.250) 10.123 6.395 ( 8.128 0.000 -1.142) 8.208 6.656 ( 14.216 0.000 -20.189) 24.692 9.241 ( 2.379 0.000 1.242) 2.684 9.404 ( 7.293 0.000 -2.213) 7.621 9.485 ( -1.282 -0.000 -1.972) 2.352 9.590 ( 1.090 0.000 0.138) 1.099 10.031 ( 0.159 0.000 5.700) 5.702 10.121 ( -7.584 -0.000 0.709) 7.618 11.671 ( -2.211 -0.000 -4.161) 4.712 11.785 ( 0.836 0.000 0.748) 1.122 13.031 ( -0.596 -0.000 2.154) 2.235 13.160 ( 0.616 0.000 -2.326) 2.406 14.694 ( -1.231 -0.000 -2.155) 2.482 14.714 ( 2.750 0.000 5.914) 6.522 14.820 ( -0.472 -0.000 1.906) 1.964 14.833 ( -0.474 -0.000 -0.046) 0.476 15.066 ( -1.719 -0.000 18.929) 19.007 15.784 ( 6.241 0.000 -9.112) 11.044 16.103 ( 1.233 0.000 4.122) 4.302 16.252 ( -3.698 -0.000 -0.054) 3.698 17.319 ( 0.659 0.000 -0.567) 0.870 17.366 ( 1.253 0.000 -0.381) 1.310 20.345 ( 2.080 0.000 -0.542) 2.150 20.458 ( -0.188 -0.000 -2.164) 2.172 25.784 ( 7.244 0.000 23.152) 24.259 26.866 ( 30.477 0.000 -9.198) 31.834 28.502 ( -0.434 -0.000 1.104) 1.186 28.516 ( 1.755 0.000 -1.093) 2.067 29.627 ( 2.391 0.000 -1.881) 3.042 29.631 ( 0.388 0.000 1.849) 1.889 31.951 ( -6.934 -0.000 -6.429) 9.455 31.953 ( -4.445 -0.000 4.835) 6.567 32.357 ( -8.466 -0.000 -1.329) 8.569 32.467 ( 0.334 0.000 4.677) 4.689 32.829 ( 0.705 0.000 3.541) 3.610 32.914 ( 1.739 0.000 -0.590) 1.837 33.305 ( -14.212 -0.000 11.640) 18.370 34.051 ( -4.379 -0.000 -27.549) 27.895 ======================= Grid point 194 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -9.293 -10.428 13.670) 19.544 0.913 ( -2.624 -23.825 1.660) 24.027 1.190 ( -8.732 -1.447 -1.447) 8.968 1.365 ( -10.560 -2.952 -6.696) 12.848 1.507 ( -9.974 -4.756 -1.844) 11.203 1.665 ( -8.802 -5.382 2.185) 10.546 1.825 ( -3.398 -5.324 -0.815) 6.368 1.868 ( -7.606 -2.162 -0.658) 7.934 1.947 ( -8.770 -1.744 -0.663) 8.966 1.990 ( -4.515 1.437 8.925) 10.105 2.114 ( -4.073 -1.338 -1.087) 4.423 2.319 ( -2.707 1.501 -4.789) 5.702 2.452 ( 1.715 -10.036 2.979) 10.608 2.610 ( 0.011 -3.878 6.016) 7.158 2.751 ( -1.076 1.915 -3.419) 4.064 2.876 ( -7.463 -1.978 8.661) 11.603 3.006 ( 2.383 3.218 -1.978) 4.466 3.059 ( 2.043 -0.717 -16.213) 16.357 3.185 ( -6.886 3.812 -5.274) 9.475 3.251 ( -1.731 0.177 3.070) 3.529 3.466 ( 2.033 3.159 -2.036) 4.273 3.610 ( -1.760 -3.118 2.150) 4.176 3.850 ( -1.592 2.870 -3.989) 5.165 3.980 ( -3.155 -0.076 2.267) 3.886 4.204 ( -8.810 -3.097 9.877) 13.592 4.406 ( -5.315 -1.532 -1.595) 5.757 4.615 ( -2.979 4.720 -0.508) 5.605 4.830 ( 2.808 -3.329 2.566) 5.056 4.981 ( 2.707 -1.255 5.953) 6.659 5.050 ( -4.417 -4.793 -2.614) 7.022 5.280 ( -3.955 4.711 -1.432) 6.315 5.409 ( 6.189 -1.595 -1.241) 6.511 5.693 ( -10.810 -1.852 8.342) 13.779 6.236 ( 5.964 3.304 -4.995) 8.452 6.370 ( 6.950 8.133 -2.960) 11.100 6.843 ( 14.510 -8.684 -15.538) 22.965 9.255 ( 2.112 1.531 1.507) 3.012 9.422 ( 6.140 4.170 -2.478) 7.825 9.483 ( 0.015 -0.865 -1.008) 1.328 9.594 ( 0.850 0.750 0.269) 1.164 10.030 ( -1.529 0.936 1.434) 2.296 10.065 ( -6.187 -0.883 3.582) 7.204 11.612 ( -3.093 2.024 -2.500) 4.463 11.789 ( 0.279 0.354 -0.920) 1.024 13.064 ( 1.143 -3.148 0.411) 3.375 13.169 ( 0.593 -1.122 -2.328) 2.652 14.681 ( -1.124 -0.383 -0.664) 1.360 14.764 ( 3.260 -0.522 3.086) 4.520 14.803 ( -0.004 1.215 2.521) 2.799 14.856 ( -0.886 -1.997 -0.715) 2.299 15.099 ( 2.098 5.339 28.054) 28.634 15.791 ( 3.975 1.810 -8.077) 9.183 16.131 ( 1.902 1.374 2.709) 3.584 16.150 ( -6.019 4.610 -0.463) 7.596 17.334 ( 0.326 -0.897 0.588) 1.121 17.387 ( 1.749 -1.032 -1.339) 2.432 20.380 ( 2.949 -0.517 0.143) 2.998 20.495 ( 1.770 -4.795 -4.061) 6.528 25.907 ( 10.772 8.415 33.734) 36.398 26.999 ( 27.634 15.385 -10.091) 33.199 28.505 ( -0.230 -0.262 1.183) 1.233 28.527 ( 1.785 0.412 -1.265) 2.226 29.646 ( 2.336 -0.250 -1.801) 2.961 29.653 ( 0.770 -1.055 1.774) 2.203 31.854 ( -4.707 1.877 -3.002) 5.890 31.925 ( -4.506 -0.061 3.346) 5.613 32.165 ( -10.183 6.369 1.085) 12.059 32.594 ( -0.445 -2.472 5.375) 5.933 32.671 ( -11.801 12.281 -8.405) 18.993 32.953 ( -2.145 -2.090 -1.964) 3.581 33.103 ( -13.025 -3.955 12.309) 18.352 34.215 ( 6.234 -23.505 -27.068) 36.388 ======================= Grid point 204 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -16.108 -0.000 10.030) 18.975 0.547 ( -9.131 -0.000 23.611) 25.315 1.089 ( -29.984 -0.000 10.534) 31.781 1.178 ( 1.169 0.000 -8.512) 8.592 1.277 ( -12.817 -0.000 -1.057) 12.860 1.569 ( -6.397 -0.000 -0.121) 6.398 1.758 ( -1.304 -0.000 3.941) 4.151 1.799 ( -2.986 -0.000 -2.149) 3.679 1.937 ( -2.851 -0.000 -3.667) 4.645 2.042 ( 1.757 0.000 4.570) 4.896 2.091 ( 2.901 0.000 6.014) 6.678 2.290 ( -0.623 -0.000 -0.082) 0.628 2.369 ( 4.317 0.000 0.625) 4.362 2.617 ( 2.309 0.000 5.869) 6.307 2.737 ( -4.350 -0.000 -2.319) 4.930 2.833 ( -5.750 -0.000 6.739) 8.859 3.022 ( 7.749 0.000 -26.135) 27.259 3.054 ( 0.972 0.000 0.274) 1.010 3.158 ( -9.935 -0.000 -10.539) 14.484 3.258 ( -0.983 -0.000 2.291) 2.493 3.474 ( 1.794 0.000 -0.145) 1.800 3.585 ( -0.454 -0.000 2.527) 2.568 3.851 ( -1.614 -0.000 -3.637) 3.979 3.960 ( -1.695 -0.000 0.373) 1.735 4.127 ( -7.809 -0.000 11.130) 13.596 4.337 ( -4.341 -0.000 0.369) 4.357 4.654 ( -0.260 -0.000 -5.840) 5.845 4.790 ( 0.721 0.000 -1.928) 2.058 4.972 ( -1.695 -0.000 3.392) 3.792 5.019 ( 0.305 0.000 11.257) 11.261 5.309 ( -4.722 -0.000 -5.626) 7.345 5.369 ( -4.794 -0.000 3.200) 5.764 5.606 ( -7.934 -0.000 9.897) 12.685 6.289 ( 3.629 0.000 -9.567) 10.232 6.522 ( 5.008 0.000 0.319) 5.018 6.739 ( 6.107 0.000 -23.670) 24.445 9.300 ( 2.245 0.000 3.403) 4.077 9.454 ( -0.985 -0.000 0.205) 1.006 9.527 ( 6.497 0.000 -3.263) 7.270 9.609 ( 0.903 0.000 -1.122) 1.441 9.970 ( -7.645 -0.000 1.293) 7.753 10.056 ( -1.371 -0.000 1.835) 2.290 11.593 ( -3.396 -0.000 -3.620) 4.964 11.789 ( -0.093 -0.000 -1.867) 1.870 13.036 ( -0.409 -0.000 2.404) 2.439 13.156 ( 0.645 0.000 -2.680) 2.757 14.669 ( -0.571 -0.000 0.184) 0.600 14.789 ( 1.648 0.000 -0.367) 1.688 14.820 ( -0.656 -0.000 0.943) 1.148 14.831 ( 0.317 0.000 -0.345) 0.469 15.440 ( 27.956 0.000 45.082) 53.046 15.819 ( 3.360 0.000 -5.757) 6.665 16.149 ( -6.484 -0.000 -3.696) 7.463 16.181 ( 2.594 0.000 3.404) 4.280 17.334 ( 0.833 0.000 0.775) 1.138 17.387 ( 1.212 0.000 -0.923) 1.524 20.397 ( 3.202 0.000 -0.478) 3.238 20.444 ( 0.433 0.000 -1.411) 1.476 26.487 ( 51.941 0.000 69.588) 86.836 27.407 ( 29.309 0.000 -9.035) 30.670 28.504 ( -0.059 -0.000 1.736) 1.737 28.551 ( 2.822 0.000 -1.925) 3.416 29.639 ( -0.846 -0.000 1.723) 1.920 29.661 ( 2.113 0.000 -1.637) 2.672 31.822 ( -2.635 -0.000 -2.048) 3.337 31.893 ( -3.978 -0.000 2.760) 4.842 32.125 ( -15.354 -0.000 2.263) 15.520 32.507 ( 0.593 0.000 3.502) 3.552 32.856 ( -0.488 -0.000 3.188) 3.225 32.941 ( 1.033 0.000 -0.219) 1.055 33.110 ( -10.200 -0.000 4.797) 11.272 33.436 ( -43.452 -0.000 -65.738) 78.801 ======================= Grid point 205 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -4.951 -0.000 -9.941) 11.106 0.795 ( 4.951 0.000 9.941) 11.106 0.893 ( 7.396 0.000 -10.179) 12.583 0.893 ( -7.396 -0.000 10.179) 12.583 1.478 ( -0.421 -0.000 -23.977) 23.981 1.478 ( 0.421 0.000 23.977) 23.981 1.738 ( -4.293 -0.000 0.797) 4.366 1.738 ( 4.293 0.000 -0.797) 4.366 1.841 ( -3.945 -0.000 -6.347) 7.473 1.841 ( 3.945 0.000 6.347) 7.473 2.344 ( -5.629 -0.000 -2.626) 6.211 2.344 ( 5.629 0.000 2.626) 6.211 2.536 ( 3.098 0.000 -6.869) 7.535 2.536 ( -3.098 -0.000 6.869) 7.535 2.673 ( 2.776 0.000 -1.009) 2.954 2.673 ( -2.776 -0.000 1.009) 2.954 2.873 ( -6.729 -0.000 1.205) 6.836 2.873 ( 6.729 0.000 -1.205) 6.836 3.183 ( -3.050 -0.000 -3.451) 4.606 3.183 ( 3.050 0.000 3.451) 4.606 3.579 ( -3.504 -0.000 -0.276) 3.515 3.579 ( 3.504 0.000 0.276) 3.515 3.836 ( -3.427 -0.000 -1.898) 3.918 3.836 ( 3.427 0.000 1.898) 3.918 4.250 ( -1.036 -0.000 -4.434) 4.553 4.250 ( 1.036 0.000 4.434) 4.553 4.638 ( -3.456 -0.000 -2.008) 3.997 4.638 ( 3.456 0.000 2.008) 3.997 5.139 ( -1.284 -0.000 -2.993) 3.257 5.139 ( 1.284 0.000 2.993) 3.257 5.269 ( 16.152 0.000 -7.782) 17.929 5.269 ( -16.152 -0.000 7.782) 17.929 5.878 ( 1.667 0.000 -17.043) 17.125 5.878 ( -1.667 -0.000 17.043) 17.125 6.626 ( -0.906 -0.000 -1.625) 1.861 6.626 ( 0.906 0.000 1.625) 1.861 9.472 ( 0.871 0.000 -6.718) 6.774 9.472 ( -0.871 -0.000 6.718) 6.774 9.539 ( -1.073 -0.000 -3.537) 3.696 9.539 ( 1.073 0.000 3.537) 3.696 9.940 ( -0.022 -0.000 -3.108) 3.108 9.940 ( 0.022 0.000 3.108) 3.108 11.660 ( -1.274 -0.000 -5.894) 6.030 11.660 ( 1.274 0.000 5.894) 6.030 13.099 ( 1.151 0.000 -3.384) 3.574 13.099 ( -1.151 -0.000 3.384) 3.574 14.719 ( -1.367 -0.000 -2.537) 2.882 14.719 ( 1.367 0.000 2.537) 2.882 14.832 ( 0.524 0.000 -0.476) 0.708 14.832 ( -0.524 -0.000 0.476) 0.708 15.858 ( -10.827 -0.000 1.074) 10.880 15.858 ( 10.827 0.000 -1.074) 10.880 16.226 ( -7.292 -0.000 2.023) 7.568 16.226 ( 7.292 0.000 -2.023) 7.568 17.374 ( 0.708 0.000 -1.445) 1.609 17.374 ( -0.708 -0.000 1.445) 1.609 20.448 ( -1.081 -0.000 -0.421) 1.160 20.448 ( 1.081 0.000 0.421) 1.160 27.802 ( -17.843 -0.000 -1.213) 17.884 27.802 ( 17.843 0.000 1.213) 17.884 28.555 ( 3.525 0.000 -2.349) 4.236 28.555 ( -3.525 -0.000 2.349) 4.236 29.655 ( 1.544 0.000 -1.713) 2.306 29.655 ( -1.544 -0.000 1.713) 2.306 31.833 ( -3.266 -0.000 -0.079) 3.267 31.833 ( 3.266 0.000 0.079) 3.267 31.886 ( -6.527 -0.000 0.118) 6.528 31.886 ( 6.527 0.000 -0.118) 6.528 32.838 ( -9.923 -0.000 0.880) 9.962 32.838 ( 9.923 0.000 -0.880) 9.962 32.987 ( -3.537 -0.000 -1.066) 3.694 32.987 ( 3.537 0.000 1.066) 3.694 ======================= Grid point 207 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -1.197 -7.261 14.286) 16.070 0.944 ( 9.963 -13.222 -6.825) 17.907 1.104 ( 5.617 -18.930 -11.874) 23.041 1.117 ( 0.245 -10.712 7.809) 13.259 1.470 ( -1.929 -7.232 -15.931) 17.602 1.631 ( 1.602 -7.964 10.951) 13.635 1.686 ( -0.636 2.055 1.848) 2.836 1.773 ( 7.459 -3.954 -3.174) 9.019 1.817 ( 0.009 -1.354 -3.449) 3.706 1.909 ( 5.206 -1.527 6.079) 8.148 2.229 ( -7.761 2.916 -2.739) 8.731 2.330 ( -3.571 0.128 0.117) 3.575 2.506 ( -0.068 -0.739 -0.284) 0.795 2.573 ( 0.212 -1.737 13.317) 13.431 2.679 ( -0.626 -1.732 -1.432) 2.333 2.801 ( 4.335 0.466 -4.968) 6.610 2.841 ( 2.304 -4.820 -0.234) 5.347 2.945 ( 7.656 -1.452 -1.531) 7.942 3.134 ( -1.042 1.229 -3.582) 3.928 3.218 ( 5.529 0.421 0.470) 5.565 3.542 ( -5.157 1.350 -0.436) 5.348 3.627 ( 4.105 -0.554 -1.726) 4.487 3.781 ( -3.698 1.854 -0.649) 4.187 3.874 ( 4.344 0.481 2.778) 5.178 4.201 ( 3.094 1.595 -2.090) 4.060 4.223 ( 2.841 3.885 4.562) 6.632 4.656 ( -1.567 -4.075 -2.034) 4.816 4.724 ( 3.415 -3.998 2.502) 5.823 5.113 ( -6.821 3.903 5.824) 9.781 5.227 ( 0.593 -8.996 -9.641) 13.200 5.250 ( 0.962 -3.066 -2.946) 4.360 5.463 ( 14.961 -4.880 -6.825) 17.153 5.772 ( -5.003 4.140 -8.468) 10.671 5.910 ( -1.159 0.062 18.478) 18.514 6.537 ( -6.092 5.264 -4.632) 9.288 6.630 ( -0.765 -0.554 7.447) 7.507 9.403 ( -1.659 4.410 -5.548) 7.278 9.423 ( -3.448 4.653 5.891) 8.261 9.537 ( -1.912 -2.116 -3.690) 4.663 9.578 ( -0.088 -1.857 2.826) 3.383 9.949 ( 2.476 0.427 0.316) 2.533 9.990 ( 6.547 -1.415 -0.099) 6.699 11.634 ( -0.915 -0.161 -5.397) 5.476 11.690 ( 1.301 0.071 5.347) 5.504 13.106 ( -1.107 -1.379 0.322) 1.797 13.120 ( 0.460 -1.988 -0.270) 2.058 14.699 ( -1.429 -0.101 -1.669) 2.199 14.736 ( 0.872 0.353 2.752) 2.909 14.831 ( -0.853 -0.491 0.511) 1.109 14.848 ( 1.358 -1.130 -1.043) 2.052 15.722 ( -10.569 4.459 7.537) 13.726 15.900 ( 8.881 10.059 -2.735) 13.694 16.032 ( -11.933 4.534 -6.764) 14.446 16.202 ( 2.320 5.039 0.840) 5.611 17.375 ( -1.233 -0.541 1.806) 2.253 17.380 ( 0.238 -0.684 -2.112) 2.232 20.439 ( -2.547 -1.354 1.487) 3.245 20.449 ( -0.792 -0.396 -0.987) 1.327 27.183 ( -29.153 31.876 18.770) 47.099 27.297 ( -13.574 44.112 -19.399) 50.064 28.521 ( -2.008 0.582 1.860) 2.798 28.543 ( 0.756 1.035 -2.058) 2.425 29.653 ( -2.709 -0.868 1.033) 3.026 29.694 ( 0.988 -1.368 -0.646) 1.807 31.806 ( -2.207 0.003 -0.225) 2.219 31.893 ( 6.835 0.417 -0.948) 6.913 31.905 ( 7.841 1.685 2.219) 8.321 32.053 ( 20.961 0.578 -0.660) 20.979 32.741 ( -1.866 -1.760 -3.920) 4.685 32.817 ( 4.025 2.767 2.657) 5.561 33.333 ( -0.055 -29.726 -10.144) 31.409 33.471 ( 7.092 -31.730 11.263) 34.408 ======================= Grid point 208 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.701 -10.346 8.248) 14.042 1.158 ( 2.653 -6.014 4.009) 7.699 1.276 ( 1.865 -9.678 -6.593) 11.858 1.426 ( 7.674 -10.853 -3.886) 13.849 1.509 ( -2.611 -2.694 -1.829) 4.174 1.693 ( 2.515 -0.942 0.514) 2.734 1.796 ( -1.199 -8.983 -0.296) 9.068 1.872 ( 0.572 -5.635 -1.304) 5.813 1.968 ( 7.329 -10.401 0.111) 12.724 2.157 ( -0.156 -4.379 -4.833) 6.524 2.179 ( 6.110 -8.456 2.879) 10.822 2.349 ( 1.687 -10.018 -3.987) 10.913 2.557 ( 1.300 -0.928 7.790) 7.952 2.605 ( -6.197 -3.564 7.034) 10.029 2.708 ( 4.580 0.124 -2.069) 5.027 2.853 ( 2.989 -4.435 -0.669) 5.389 2.953 ( 3.457 -3.409 -0.987) 4.954 3.025 ( 4.135 -0.744 0.782) 4.274 3.137 ( 2.148 -2.993 -2.885) 4.679 3.291 ( 8.829 -1.578 -4.784) 10.165 3.439 ( -4.609 2.022 -2.529) 5.633 3.645 ( 6.190 3.625 -1.069) 7.252 3.721 ( -2.905 0.710 -1.007) 3.155 3.921 ( 4.972 0.383 2.413) 5.540 4.225 ( 1.508 -0.611 7.932) 8.097 4.300 ( 7.981 -5.037 -2.528) 9.771 4.709 ( 0.738 -3.487 -3.656) 5.106 4.821 ( 2.007 -1.320 4.530) 5.127 4.981 ( -2.147 6.652 -0.640) 7.019 5.224 ( 7.800 6.873 -7.813) 13.005 5.339 ( -6.933 -7.407 -2.899) 10.552 5.480 ( -7.751 0.457 -8.222) 11.308 5.767 ( 8.768 -1.608 -3.601) 9.614 5.925 ( -3.178 3.818 17.934) 18.609 6.336 ( -8.528 6.820 -6.797) 12.862 6.686 ( -1.405 -1.949 14.785) 14.979 9.282 ( -3.067 5.414 -1.114) 6.322 9.312 ( -2.670 5.259 1.181) 6.016 9.542 ( -2.367 -1.800 -2.291) 3.754 9.601 ( -1.145 -0.942 1.060) 1.822 9.966 ( 2.259 0.883 2.107) 3.213 10.086 ( 7.728 -1.235 -2.123) 8.109 11.616 ( -0.451 -0.222 -4.063) 4.094 11.713 ( 1.183 0.276 3.983) 4.164 13.123 ( -1.543 -2.020 0.271) 2.557 13.161 ( 0.252 -2.174 0.021) 2.189 14.689 ( -0.871 -0.530 -0.425) 1.105 14.737 ( 0.427 1.069 2.361) 2.626 14.839 ( -1.541 -1.414 1.274) 2.449 14.888 ( 2.120 -1.993 -1.881) 3.465 15.569 ( -8.183 8.120 4.547) 12.392 15.613 ( -4.149 9.346 -12.925) 16.481 16.004 ( 2.773 -0.223 -0.025) 2.782 16.151 ( 0.988 3.217 1.295) 3.606 17.377 ( -1.298 -0.496 1.728) 2.217 17.390 ( 0.187 -0.975 -2.035) 2.265 20.442 ( -1.170 -1.596 -2.747) 3.385 20.470 ( -1.718 -2.558 4.342) 5.324 26.449 ( -11.212 28.036 -25.883) 39.770 26.530 ( -17.895 24.184 20.290) 36.287 28.502 ( -1.317 0.388 0.890) 1.636 28.539 ( 0.563 -0.020 -1.051) 1.193 29.637 ( -2.700 -0.000 1.172) 2.943 29.702 ( -0.023 0.150 -0.987) 0.999 31.794 ( -0.206 -0.076 -0.174) 0.280 31.944 ( 5.542 -0.061 -2.466) 6.066 31.957 ( 7.967 2.224 3.116) 8.839 32.184 ( 15.903 4.473 -0.298) 16.523 32.754 ( -1.713 -1.200 -1.478) 2.561 32.887 ( 4.169 -5.122 3.846) 7.642 33.685 ( 0.886 -16.687 -24.709) 29.829 34.032 ( -0.568 -20.855 26.158) 33.459 ======================= Grid point 209 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -5.054 -6.881 1.720) 8.709 1.303 ( 2.281 -3.707 2.021) 4.799 1.445 ( 2.059 -9.429 -5.314) 11.017 1.546 ( -0.956 -3.821 1.921) 4.382 1.620 ( 4.798 -6.374 4.743) 9.281 1.737 ( 1.021 -2.389 -1.015) 2.789 1.922 ( 1.748 -6.743 0.392) 6.977 1.993 ( 1.092 -6.702 -0.460) 6.806 2.083 ( 1.538 -2.945 -2.266) 4.022 2.200 ( -0.507 1.124 -0.409) 1.299 2.381 ( -1.359 -11.330 -1.438) 11.502 2.505 ( -6.336 -0.912 5.208) 8.252 2.609 ( 7.176 -0.975 2.724) 7.738 2.722 ( 7.237 -7.540 -3.479) 11.015 2.784 ( 1.257 -8.739 -3.384) 9.455 2.948 ( 3.453 0.069 3.048) 4.606 2.989 ( 0.308 0.461 -0.971) 1.118 3.084 ( 3.264 -3.303 3.150) 5.612 3.241 ( 1.569 -5.875 2.910) 6.742 3.417 ( -0.191 -2.250 -5.115) 5.592 3.480 ( 12.090 -12.251 -6.766) 18.494 3.646 ( 9.321 3.438 -3.864) 10.660 3.691 ( -1.992 -0.486 -1.208) 2.380 3.951 ( 2.375 1.869 0.391) 3.047 4.273 ( -0.747 0.144 7.245) 7.285 4.480 ( 8.056 -6.834 -2.044) 10.760 4.762 ( 3.470 0.057 -3.623) 5.017 4.767 ( 0.241 5.296 -0.875) 5.373 4.881 ( -1.639 3.476 0.723) 3.911 5.212 ( 7.034 0.326 0.239) 7.045 5.300 ( -8.921 1.391 5.053) 10.346 5.429 ( -6.075 -3.954 -7.662) 10.547 5.810 ( -3.724 8.296 9.895) 13.439 5.860 ( 5.544 -0.185 -2.430) 6.056 6.129 ( -7.307 5.541 -7.174) 11.643 6.709 ( -3.614 1.661 12.618) 13.230 9.170 ( -2.609 4.088 0.948) 4.941 9.216 ( -1.277 3.737 -0.774) 4.024 9.536 ( -2.027 -0.675 -1.220) 2.460 9.601 ( -1.208 -0.437 -0.117) 1.290 9.976 ( 1.389 0.797 2.649) 3.095 10.155 ( 5.470 -0.257 -3.334) 6.411 11.607 ( -0.136 -0.199 -2.448) 2.460 11.728 ( 0.948 0.352 2.431) 2.633 13.146 ( -1.416 -2.134 0.583) 2.626 13.192 ( 0.054 -1.290 -0.252) 1.316 14.699 ( -0.117 -1.107 0.215) 1.134 14.731 ( 0.609 0.826 2.198) 2.426 14.854 ( -2.281 -1.978 1.768) 3.499 14.940 ( 2.396 -1.899 -2.436) 3.909 15.326 ( -3.802 6.985 -13.406) 15.588 15.509 ( -3.634 2.567 6.141) 7.583 16.035 ( 2.645 -0.086 0.626) 2.719 16.115 ( 0.748 2.387 0.070) 2.502 17.378 ( -1.107 -0.484 1.449) 1.887 17.400 ( 0.157 -0.465 -1.397) 1.480 20.461 ( 0.045 -2.309 -3.850) 4.490 20.511 ( -1.536 -2.139 5.440) 6.044 25.970 ( -5.509 13.134 -15.712) 21.207 26.114 ( -9.956 15.436 12.641) 22.297 28.487 ( -0.969 0.304 0.413) 1.096 28.542 ( 0.369 -0.088 -0.546) 0.665 29.612 ( -2.158 0.416 0.894) 2.372 29.695 ( -0.047 0.110 -0.711) 0.721 31.800 ( 0.716 -0.221 -0.038) 0.750 31.987 ( 4.797 0.128 -2.680) 5.496 32.007 ( 5.796 0.796 2.938) 6.547 32.227 ( 9.532 4.579 -0.481) 10.586 32.745 ( -1.827 -0.507 -0.687) 2.017 33.059 ( 5.238 -6.934 6.413) 10.800 33.801 ( -2.476 -7.173 -21.462) 22.764 34.331 ( -2.826 -9.899 17.957) 20.699 ======================= Grid point 210 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.327 -5.075 -0.203) 5.249 1.333 ( -0.041 0.159 0.142) 0.217 1.556 ( 1.467 -2.084 -0.563) 2.610 1.570 ( -1.426 -0.759 1.447) 2.169 1.787 ( 1.426 -3.823 0.869) 4.172 1.849 ( 4.596 -9.699 0.980) 10.778 1.988 ( -1.011 0.254 2.476) 2.686 2.086 ( -0.066 -4.511 -0.138) 4.514 2.161 ( 3.199 -1.578 -4.354) 5.628 2.211 ( -2.780 -4.312 2.603) 5.753 2.395 ( -4.724 3.882 3.915) 7.261 2.452 ( -1.468 -0.821 -1.704) 2.394 2.738 ( 3.827 -5.991 0.385) 7.119 2.869 ( 6.151 -1.438 -4.032) 7.494 2.902 ( 1.812 -2.420 -0.268) 3.035 2.956 ( -2.032 0.068 -4.691) 5.112 3.044 ( 4.999 -9.202 1.184) 10.539 3.159 ( 0.543 1.681 8.174) 8.363 3.339 ( 1.261 -1.024 -0.624) 1.740 3.451 ( 2.269 -2.880 -0.543) 3.706 3.664 ( 1.949 -1.459 -4.187) 4.844 3.691 ( 3.483 -0.167 -0.517) 3.526 3.863 ( 12.935 -13.568 -7.112) 20.050 3.876 ( -3.974 5.551 -0.856) 6.880 4.198 ( -4.846 5.699 3.258) 8.160 4.643 ( 3.096 -4.562 -1.540) 5.724 4.683 ( 2.338 2.404 0.306) 3.367 4.826 ( 1.107 -1.162 2.321) 2.822 4.868 ( 4.598 -3.009 -2.276) 5.948 5.192 ( -7.494 3.785 5.102) 9.824 5.305 ( 4.693 -1.970 4.140) 6.560 5.415 ( -2.823 -2.440 -5.592) 6.723 5.628 ( -5.413 8.767 5.079) 11.487 5.902 ( 3.575 0.227 -1.849) 4.032 5.972 ( -4.566 3.662 -4.866) 7.612 6.652 ( -3.507 3.182 6.225) 7.822 9.103 ( -1.236 1.915 0.805) 2.417 9.158 ( -0.501 1.869 -0.514) 2.002 9.523 ( -1.103 -0.066 -0.659) 1.286 9.596 ( -0.777 -0.190 -0.244) 0.836 9.982 ( 0.626 0.420 1.929) 2.072 10.185 ( 2.685 0.153 -2.597) 3.738 11.605 ( -0.007 -0.139 -1.066) 1.075 11.735 ( 0.533 0.247 1.094) 1.242 13.170 ( -0.919 -1.779 0.886) 2.189 13.203 ( 0.074 -0.109 -0.698) 0.710 14.717 ( 0.158 -0.685 -0.092) 0.709 14.738 ( 0.772 0.004 1.795) 1.954 14.880 ( -2.118 -3.046 2.910) 4.716 14.972 ( 2.218 0.180 -3.498) 4.146 15.182 ( -2.308 3.333 -6.389) 7.567 15.467 ( -1.602 1.143 2.991) 3.580 16.059 ( 0.714 -0.409 0.898) 1.218 16.086 ( 1.217 1.831 -0.796) 2.338 17.382 ( -0.758 -0.570 1.271) 1.586 17.400 ( 0.189 0.181 -1.108) 1.139 20.492 ( 0.668 -1.927 -3.323) 3.899 20.538 ( -1.199 -0.819 4.196) 4.440 25.752 ( -2.189 5.122 -6.789) 8.782 25.875 ( -4.588 7.754 5.631) 10.624 28.476 ( -0.534 0.151 0.192) 0.587 28.545 ( 0.170 -0.009 -0.267) 0.317 29.590 ( -1.248 0.369 0.426) 1.370 29.694 ( 0.038 -0.068 -0.281) 0.292 31.811 ( 0.628 -0.221 0.016) 0.666 32.014 ( 2.791 0.241 -1.474) 3.165 32.058 ( 3.543 -0.511 1.699) 3.963 32.221 ( 3.912 3.372 -0.520) 5.191 32.736 ( -1.008 -0.257 -0.296) 1.081 33.234 ( 4.683 -4.846 6.515) 9.373 33.788 ( -3.593 -1.971 -13.571) 14.176 34.460 ( -2.001 -4.109 8.244) 9.426 ======================= Grid point 211 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.000 0.000 0.000) 0.000 1.336 ( -0.000 0.000 0.000) 0.000 1.546 ( -0.000 0.000 0.000) 0.000 1.598 ( -0.000 0.000 0.000) 0.000 1.817 ( -0.000 0.000 0.000) 0.000 1.971 ( -0.000 0.000 0.000) 0.000 2.028 ( 0.000 -0.000 -0.000) 0.000 2.085 ( -0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 -0.000) 0.000 2.250 ( -0.000 0.000 0.000) 0.000 2.328 ( -0.000 0.000 0.000) 0.000 2.465 ( -0.000 0.000 0.000) 0.000 2.827 ( -0.000 0.000 -0.000) 0.000 2.862 ( -0.000 -0.000 0.000) 0.000 2.910 ( -0.000 0.000 0.000) 0.000 3.044 ( -0.000 0.000 0.000) 0.000 3.081 ( -0.000 0.000 -0.000) 0.000 3.211 ( -0.000 0.000 -0.000) 0.000 3.319 ( -0.000 0.000 0.000) 0.000 3.522 ( -0.000 0.000 0.000) 0.000 3.650 ( -0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 -0.000) 0.000 3.763 ( -0.000 0.000 0.000) 0.000 4.020 ( -0.000 0.000 -0.000) 0.000 4.148 ( -0.000 0.000 -0.000) 0.000 4.645 ( -0.000 0.000 -0.000) 0.000 4.729 ( -0.000 0.000 0.000) 0.000 4.837 ( -0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 -0.000) 0.000 5.088 ( -0.000 0.000 0.000) 0.000 5.350 ( -0.000 0.000 0.000) 0.000 5.450 ( -0.000 -0.000 -0.000) 0.000 5.491 ( -0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 -0.000) 0.000 5.914 ( -0.000 -0.000 0.000) 0.000 6.610 ( -0.000 0.000 0.000) 0.000 9.083 ( -0.000 0.000 0.000) 0.000 9.139 ( -0.000 0.000 0.000) 0.000 9.517 ( -0.000 0.000 0.000) 0.000 9.593 ( -0.000 0.000 0.000) 0.000 9.985 ( -0.000 0.000 0.000) 0.000 10.192 ( -0.000 0.000 0.000) 0.000 11.604 ( -0.000 0.000 0.000) 0.000 11.737 ( -0.000 0.000 0.000) 0.000 13.187 ( -0.000 -0.000 0.000) 0.000 13.199 ( -0.000 0.000 -0.000) 0.000 14.723 ( -0.000 0.000 0.000) 0.000 14.746 ( -0.000 0.000 0.000) 0.000 14.920 ( -0.000 0.000 0.000) 0.000 14.957 ( -0.000 0.000 -0.000) 0.000 15.132 ( -0.000 0.000 0.000) 0.000 15.454 ( -0.000 0.000 0.000) 0.000 16.067 ( -0.000 -0.000 0.000) 0.000 16.075 ( 0.000 0.000 -0.000) 0.000 17.387 ( -0.000 0.000 0.000) 0.000 17.395 ( 0.000 0.000 -0.000) 0.000 20.509 ( -0.000 0.000 0.000) 0.000 20.544 ( -0.000 0.000 0.000) 0.000 25.690 ( -0.000 0.000 0.000) 0.000 25.794 ( -0.000 0.000 0.000) 0.000 28.473 ( -0.000 0.000 0.000) 0.000 28.545 ( -0.000 0.000 0.000) 0.000 29.581 ( -0.000 0.000 0.000) 0.000 29.695 ( -0.000 0.000 0.000) 0.000 31.817 ( -0.000 0.000 0.000) 0.000 32.024 ( -0.000 0.000 -0.000) 0.000 32.088 ( -0.000 0.000 0.000) 0.000 32.204 ( -0.000 0.000 0.000) 0.000 32.733 ( -0.000 0.000 0.000) 0.000 33.317 ( -0.000 0.000 -0.000) 0.000 33.757 ( -0.000 0.000 0.000) 0.000 34.496 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 3.885 0.000 -8.958) 9.764 0.962 ( 6.184 0.000 9.149) 11.043 0.994 ( 9.218 0.000 -11.847) 15.011 1.081 ( 10.478 0.000 2.836) 10.855 1.393 ( 8.205 0.000 -10.771) 13.540 1.598 ( 4.221 0.000 1.100) 4.362 1.749 ( 4.051 0.000 12.761) 13.389 1.796 ( 2.015 0.000 -0.440) 2.063 1.835 ( 6.958 0.000 -3.860) 7.957 1.985 ( 7.157 0.000 5.512) 9.034 2.161 ( -6.638 -0.000 -3.352) 7.436 2.281 ( -7.707 -0.000 7.901) 11.037 2.393 ( -9.701 -0.000 -4.739) 10.796 2.625 ( 2.136 0.000 11.293) 11.494 2.706 ( 2.057 0.000 0.334) 2.083 2.789 ( 1.421 0.000 -8.475) 8.594 2.900 ( 9.585 0.000 0.376) 9.592 3.010 ( 7.749 0.000 0.909) 7.802 3.151 ( 4.660 0.000 -7.371) 8.720 3.270 ( 3.594 0.000 1.453) 3.877 3.495 ( -4.034 -0.000 -2.080) 4.538 3.634 ( 2.921 0.000 -2.481) 3.832 3.784 ( -1.399 -0.000 2.011) 2.450 3.927 ( 3.983 0.000 2.960) 4.962 4.257 ( 4.250 0.000 -2.713) 5.042 4.314 ( 2.331 0.000 4.568) 5.129 4.596 ( 0.240 0.000 -0.078) 0.252 4.718 ( 2.494 0.000 2.800) 3.750 5.073 ( -0.593 -0.000 -5.536) 5.568 5.175 ( 1.679 0.000 -2.241) 2.800 5.235 ( 6.251 0.000 4.376) 7.631 5.575 ( 16.267 0.000 -18.980) 24.997 5.770 ( -1.299 -0.000 -6.790) 6.913 5.882 ( -10.229 -0.000 24.423) 26.479 6.534 ( -6.800 -0.000 -0.645) 6.830 6.572 ( -6.710 -0.000 0.990) 6.782 9.398 ( -3.726 -0.000 -5.844) 6.931 9.434 ( -6.058 -0.000 5.883) 8.444 9.496 ( -0.583 -0.000 -3.309) 3.360 9.570 ( 0.209 0.000 2.628) 2.637 10.012 ( 7.513 0.000 -2.808) 8.020 10.037 ( 5.838 0.000 2.640) 6.407 11.611 ( -0.272 -0.000 -4.151) 4.159 11.720 ( 1.278 0.000 4.904) 5.068 13.094 ( -1.174 -0.000 3.374) 3.573 13.095 ( 0.578 0.000 -3.363) 3.412 14.678 ( -1.610 -0.000 -0.665) 1.742 14.754 ( 0.572 0.000 2.429) 2.496 14.830 ( 0.268 0.000 -0.238) 0.358 14.842 ( 0.796 0.000 -0.924) 1.220 15.677 ( -10.619 -0.000 9.603) 14.317 15.910 ( -17.615 -0.000 -10.651) 20.585 16.077 ( 7.055 0.000 3.738) 7.984 16.239 ( -2.241 -0.000 -2.284) 3.200 17.361 ( -1.145 -0.000 -1.633) 1.994 17.365 ( -0.812 -0.000 1.155) 1.411 20.395 ( -3.179 -0.000 -0.356) 3.199 20.430 ( -2.187 -0.000 0.325) 2.211 27.146 ( -40.856 -0.000 19.248) 45.163 27.351 ( -48.490 -0.000 -21.664) 53.110 28.513 ( -1.770 -0.000 1.815) 2.535 28.544 ( -1.159 -0.000 -2.171) 2.461 29.629 ( -2.341 -0.000 1.490) 2.775 29.672 ( 0.787 0.000 -1.502) 1.696 31.801 ( 0.463 0.000 0.249) 0.526 31.946 ( 6.409 0.000 -2.528) 6.890 32.177 ( 13.846 0.000 -3.344) 14.244 32.355 ( 33.704 0.000 19.623) 39.001 32.746 ( 6.080 0.000 4.309) 7.452 32.912 ( 0.255 0.000 -2.309) 2.323 32.962 ( 0.340 0.000 -0.884) 0.948 33.260 ( 23.178 0.000 -11.993) 26.097 ======================= Grid point 219 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -2.368 -8.746 2.313) 9.351 1.080 ( 1.509 -9.895 -20.155) 22.504 1.180 ( 16.029 -11.389 -0.406) 19.667 1.237 ( 8.622 -6.838 3.756) 11.628 1.469 ( 3.916 0.938 1.436) 4.275 1.669 ( 4.059 -2.314 2.584) 5.339 1.786 ( 6.283 3.444 2.146) 7.479 1.850 ( 3.724 -1.712 1.313) 4.304 1.961 ( 10.898 -4.399 -1.037) 11.798 2.077 ( 5.755 -5.244 1.598) 7.948 2.143 ( 3.248 -1.584 -3.168) 4.806 2.256 ( -0.431 -2.580 0.669) 2.700 2.412 ( -5.748 -8.470 5.740) 11.736 2.666 ( 1.962 0.085 4.433) 4.848 2.736 ( 2.895 0.051 -2.790) 4.021 2.805 ( 4.214 -2.935 0.431) 5.154 2.950 ( 4.004 0.308 -0.322) 4.029 3.075 ( 4.553 0.382 1.640) 4.854 3.163 ( 6.555 2.366 -5.847) 9.097 3.321 ( 4.789 -1.928 -3.989) 6.524 3.432 ( -4.777 2.899 0.011) 5.587 3.682 ( 3.413 -2.159 -4.468) 6.022 3.755 ( 0.600 3.022 4.301) 5.291 3.978 ( 4.509 -0.673 2.228) 5.074 4.301 ( 6.390 0.306 1.119) 6.495 4.332 ( 5.308 1.711 3.380) 6.521 4.652 ( 2.429 -3.922 -1.263) 4.783 4.791 ( 0.787 -4.689 2.018) 5.166 5.085 ( 0.486 4.606 -1.353) 4.825 5.139 ( 0.283 -4.431 -6.441) 7.823 5.322 ( 3.514 0.528 -4.285) 5.567 5.466 ( -6.149 8.220 -9.499) 13.986 5.825 ( 10.316 -1.234 -5.443) 11.729 5.931 ( -8.324 -4.076 22.701) 24.520 6.367 ( -8.013 7.233 -3.033) 11.212 6.594 ( -7.284 -6.819 7.542) 12.508 9.315 ( -3.803 3.022 -3.711) 6.113 9.356 ( -5.614 3.490 3.716) 7.583 9.494 ( -0.481 -1.009 -1.953) 2.250 9.583 ( -0.383 -0.597 1.286) 1.469 10.037 ( 4.831 2.677 0.227) 5.528 10.127 ( 6.399 -1.768 -1.626) 6.835 11.604 ( 0.465 -0.048 -2.191) 2.240 11.742 ( 1.070 0.307 3.696) 3.860 13.088 ( -0.609 -0.635 -0.346) 0.946 13.123 ( -0.120 -2.262 0.615) 2.347 14.668 ( -1.270 -0.555 0.627) 1.521 14.762 ( 0.281 0.379 1.559) 1.629 14.821 ( -0.205 0.472 -0.290) 0.591 14.868 ( 1.329 -1.779 -1.255) 2.551 15.591 ( -9.418 2.417 12.369) 15.733 15.628 ( -13.528 6.939 -19.411) 24.656 16.108 ( 7.690 4.470 2.308) 9.190 16.192 ( -1.243 1.660 -1.735) 2.704 17.354 ( -1.507 -1.091 -0.265) 1.879 17.367 ( -0.419 -0.658 -0.394) 0.874 20.388 ( -2.392 -2.084 -0.493) 3.211 20.425 ( -1.240 -1.580 1.836) 2.721 26.606 ( -29.859 20.271 -30.706) 47.385 26.705 ( -28.953 14.485 20.597) 38.371 28.500 ( -1.184 0.359 1.108) 1.660 28.534 ( -0.224 -0.271 -1.290) 1.337 29.613 ( -2.275 -0.225 1.322) 2.641 29.684 ( -0.850 -1.004 -1.177) 1.766 31.813 ( 2.461 0.581 0.993) 2.717 31.998 ( 6.465 0.371 -3.629) 7.423 32.175 ( 10.315 8.774 0.519) 13.552 32.494 ( 16.268 10.882 8.436) 21.313 32.687 ( -1.398 -1.814 -4.214) 4.796 32.923 ( 4.524 2.970 1.295) 5.565 33.369 ( 10.502 -18.817 -8.552) 23.184 33.704 ( 7.846 -24.970 13.234) 29.329 ======================= Grid point 220 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.462 -6.588 -3.331) 7.397 1.229 ( 0.914 -11.435 -9.951) 15.186 1.382 ( 12.093 0.949 2.490) 12.383 1.478 ( -2.447 -4.040 5.412) 7.183 1.560 ( 9.839 -10.384 -2.821) 14.581 1.758 ( 3.590 1.606 3.388) 5.191 1.800 ( 2.191 -4.896 1.790) 5.654 1.954 ( 6.550 -4.146 1.591) 7.914 2.105 ( 7.058 -0.849 -0.131) 7.111 2.222 ( 2.595 -4.594 1.079) 5.385 2.261 ( 6.195 0.273 -3.193) 6.975 2.362 ( 2.638 -13.880 -1.795) 14.242 2.552 ( 0.007 -7.623 2.585) 8.049 2.698 ( 4.614 1.499 3.806) 6.166 2.751 ( 3.344 -1.991 -5.051) 6.376 2.945 ( 5.226 -3.642 3.346) 7.195 3.017 ( 3.351 -3.449 -1.220) 4.961 3.109 ( 4.115 -0.224 3.357) 5.315 3.185 ( 2.771 -0.874 -0.433) 2.938 3.336 ( -2.984 -1.528 -3.382) 4.762 3.439 ( 8.932 -4.555 -4.114) 10.838 3.692 ( -0.564 1.674 2.354) 2.943 3.759 ( 6.537 1.257 -3.080) 7.334 4.023 ( 3.459 2.297 0.093) 4.153 4.321 ( 2.772 2.425 6.526) 7.494 4.446 ( 7.618 -5.009 -2.150) 9.367 4.748 ( 5.524 -3.488 -3.469) 7.396 4.844 ( -4.131 -1.080 1.987) 4.710 4.946 ( -0.520 8.339 -4.005) 9.265 5.225 ( -0.304 -5.827 -5.869) 8.276 5.290 ( -6.754 1.201 1.342) 6.990 5.303 ( 3.571 3.669 -3.327) 6.107 5.864 ( -7.921 1.376 8.913) 12.003 5.934 ( 3.229 2.625 2.385) 4.796 6.162 ( -5.303 7.148 -3.983) 9.751 6.651 ( -9.364 -4.910 9.779) 14.402 9.213 ( -3.319 3.898 0.185) 5.122 9.255 ( -3.122 3.458 -0.105) 4.660 9.501 ( -0.838 -0.937 -0.458) 1.338 9.588 ( -0.433 -0.243 -0.164) 0.523 10.031 ( 2.846 2.388 0.653) 3.772 10.190 ( 4.192 -0.297 -3.134) 5.243 11.605 ( 0.859 0.171 -0.691) 1.116 11.752 ( 0.773 0.580 2.122) 2.332 13.101 ( -0.650 -1.704 -0.010) 1.824 13.162 ( -0.227 -2.113 0.390) 2.161 14.677 ( -0.789 -1.156 1.751) 2.242 14.757 ( 0.399 0.769 0.782) 1.167 14.814 ( -0.989 -0.494 -0.269) 1.137 14.915 ( 1.507 -2.412 -1.416) 3.177 15.355 ( -4.829 6.328 -18.427) 20.073 15.518 ( -7.248 1.766 11.977) 14.110 16.106 ( 4.403 3.180 0.878) 5.501 16.160 ( 1.966 2.023 -1.785) 3.338 17.359 ( -1.597 -0.890 1.658) 2.469 17.378 ( -0.084 -1.288 -1.858) 2.262 20.408 ( -0.413 -2.527 -2.544) 3.609 20.467 ( -1.251 -2.953 4.612) 5.617 26.054 ( -11.982 12.260 -20.588) 26.791 26.283 ( -17.490 14.252 14.849) 27.010 28.485 ( -0.840 0.402 0.531) 1.072 28.536 ( -0.265 -0.466 -0.658) 0.849 29.598 ( -1.957 0.000 1.028) 2.211 29.683 ( -1.103 -0.598 -0.853) 1.517 31.829 ( 3.125 1.189 1.152) 3.536 32.035 ( 5.683 0.912 -4.299) 7.184 32.146 ( 7.679 5.293 1.891) 9.516 32.446 ( 8.705 9.929 3.187) 13.584 32.720 ( -0.342 -1.988 -1.519) 2.525 33.002 ( 4.205 -5.938 4.376) 8.491 33.612 ( 5.781 -7.977 -19.759) 22.079 34.126 ( -3.611 -15.946 18.953) 25.030 ======================= Grid point 221 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 4.509 -6.546 -3.775) 8.799 1.366 ( 2.697 -0.797 -0.314) 2.830 1.464 ( 1.779 -5.976 -1.116) 6.335 1.550 ( -0.867 -2.770 2.193) 3.637 1.746 ( 1.830 -4.943 0.736) 5.322 1.813 ( 11.113 -2.825 3.725) 12.057 1.941 ( 1.901 -6.168 -0.888) 6.515 2.093 ( 6.619 -2.216 2.393) 7.379 2.152 ( 6.227 1.869 0.054) 6.502 2.208 ( 4.812 2.398 -5.029) 7.362 2.365 ( -0.164 -2.095 0.825) 2.257 2.459 ( -1.344 1.402 1.514) 2.463 2.686 ( -0.796 -5.803 -4.803) 7.575 2.791 ( 4.549 -9.262 2.207) 10.552 2.875 ( 7.509 -4.488 -3.732) 9.511 2.974 ( 1.371 2.457 -1.687) 3.281 3.041 ( 2.478 1.165 2.233) 3.533 3.211 ( 4.728 -1.995 10.018) 11.256 3.310 ( 4.740 -6.994 -1.093) 8.520 3.383 ( 0.658 -4.733 -4.106) 6.301 3.619 ( 2.522 -4.615 1.724) 5.534 3.683 ( -1.120 -2.839 8.535) 9.064 3.829 ( 12.422 -2.910 -10.915) 16.790 3.939 ( -1.009 7.140 -4.379) 8.436 4.267 ( -3.623 6.140 1.401) 7.265 4.594 ( 4.031 -4.741 -1.753) 6.466 4.767 ( -1.953 2.911 -1.305) 3.740 4.834 ( 2.233 2.224 -0.839) 3.261 4.873 ( 5.851 -2.472 0.609) 6.381 5.201 ( -4.736 3.073 4.684) 7.336 5.294 ( -2.846 -4.566 -5.727) 7.858 5.332 ( 5.080 -1.296 1.124) 5.362 5.709 ( -10.505 6.567 7.486) 14.475 5.924 ( -1.470 1.567 1.607) 2.683 6.018 ( 0.727 5.116 -5.035) 7.215 6.625 ( -9.565 -1.008 4.791) 10.745 9.132 ( -1.853 2.760 1.132) 3.512 9.183 ( -1.441 2.309 -0.901) 2.867 9.506 ( -0.685 -0.531 0.318) 0.923 9.587 ( -0.066 -0.235 -0.691) 0.733 10.018 ( 1.839 1.856 0.059) 2.614 10.205 ( 1.531 0.569 -2.390) 2.894 11.609 ( 0.917 0.337 0.375) 1.047 11.750 ( 0.367 0.678 0.608) 0.982 13.130 ( -0.409 -2.154 0.512) 2.252 13.189 ( -0.193 -1.283 -0.261) 1.323 14.698 ( -0.607 -1.263 1.705) 2.207 14.752 ( 0.156 0.357 -0.129) 0.411 14.824 ( -0.747 -1.854 1.118) 2.291 14.964 ( 1.362 -1.991 -1.770) 2.992 15.202 ( -0.669 3.629 -11.562) 12.136 15.464 ( -5.621 0.866 8.801) 10.479 16.093 ( 2.085 2.096 -0.376) 2.980 16.144 ( 3.395 2.678 -1.222) 4.494 17.365 ( -1.154 -0.838 1.592) 2.137 17.391 ( -0.117 -0.828 -1.495) 1.712 20.448 ( 0.894 -2.777 -3.286) 4.394 20.513 ( -1.391 -2.138 4.707) 5.353 25.786 ( -4.597 5.575 -10.169) 12.475 25.979 ( -9.859 9.791 7.965) 16.015 28.475 ( -0.464 0.193 0.236) 0.555 28.538 ( -0.524 -0.407 -0.311) 0.733 29.583 ( -1.179 0.095 0.569) 1.312 29.682 ( -0.913 -0.692 -0.384) 1.208 31.839 ( 2.754 1.404 0.903) 3.220 32.048 ( 3.725 1.425 -4.394) 5.935 32.147 ( 5.689 3.373 2.789) 7.178 32.359 ( 3.399 7.964 1.512) 8.790 32.735 ( 1.229 0.033 -0.543) 1.344 33.179 ( 2.484 -7.582 4.871) 9.348 33.688 ( 2.713 -3.412 -13.828) 14.499 34.330 ( -5.475 -9.414 9.955) 14.755 ======================= Grid point 222 (97/117) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 5.743 -3.125 -2.684) 7.068 1.360 ( 2.231 1.940 0.315) 2.973 1.542 ( -1.975 -0.811 1.410) 2.558 1.570 ( 0.111 -2.255 -0.944) 2.448 1.843 ( 1.613 -1.790 6.587) 7.014 1.979 ( 5.249 -4.777 -5.283) 8.848 2.032 ( 8.359 -0.069 -0.977) 8.416 2.141 ( 2.410 4.633 3.996) 6.575 2.173 ( 4.579 -0.267 -2.296) 5.130 2.240 ( 4.949 -1.206 -3.519) 6.191 2.360 ( -0.479 1.065 0.039) 1.168 2.426 ( -0.391 -0.664 -0.428) 0.882 2.765 ( -0.401 -4.697 0.320) 4.725 2.885 ( -2.391 -0.216 -4.041) 4.701 2.926 ( 2.614 0.787 -2.807) 3.916 3.015 ( 7.908 -2.085 -3.828) 9.030 3.160 ( 4.477 -6.637 7.665) 11.084 3.238 ( 2.816 7.737 7.710) 11.280 3.357 ( 0.124 2.262 1.485) 2.709 3.484 ( 0.758 -4.510 -2.940) 5.437 3.644 ( -1.932 -0.515 7.162) 7.436 3.722 ( -7.957 3.297 0.209) 8.615 3.786 ( 2.001 0.805 -4.273) 4.786 4.015 ( 3.288 -2.106 -0.845) 3.995 4.148 ( 2.935 0.322 -5.019) 5.822 4.641 ( -0.275 -0.702 -0.396) 0.852 4.737 ( -0.029 0.414 -0.279) 0.500 4.839 ( -0.349 0.021 3.364) 3.382 4.986 ( 6.117 -1.701 -2.206) 6.722 5.106 ( -3.012 3.457 1.960) 4.986 5.304 ( -3.441 -2.303 -4.551) 6.153 5.411 ( 3.354 -2.232 -0.411) 4.050 5.539 ( -5.490 4.632 3.188) 7.859 5.879 ( -4.591 0.164 5.558) 7.211 5.967 ( 3.769 2.578 -2.603) 5.256 6.566 ( -6.406 -1.484 -0.936) 6.642 9.091 ( -0.423 1.086 0.490) 1.265 9.143 ( -0.672 0.922 -0.465) 1.232 9.512 ( 0.012 -0.484 0.783) 0.920 9.592 ( 0.432 -0.378 -0.535) 0.785 10.003 ( 1.434 1.528 -1.539) 2.601 10.193 ( -1.028 0.631 0.123) 1.212 11.614 ( 0.843 0.423 1.205) 1.531 11.741 ( -0.122 0.566 -0.622) 0.850 13.166 ( -0.105 -1.902 0.878) 2.097 13.201 ( 0.108 -0.328 -0.809) 0.879 14.711 ( -0.748 -0.651 0.395) 1.067 14.745 ( -0.497 0.051 -0.870) 1.003 14.873 ( -0.245 -3.346 3.531) 4.871 14.981 ( 0.759 0.756 -3.419) 3.583 15.143 ( 1.784 0.932 -4.182) 4.641 15.435 ( -4.161 -0.588 5.181) 6.671 16.077 ( 1.493 1.439 -0.845) 2.239 16.122 ( 2.388 2.911 -0.683) 3.826 17.375 ( -0.726 -0.906 1.426) 1.839 17.395 ( 0.049 -0.190 -1.386) 1.399 20.492 ( 1.248 -1.996 -2.936) 3.763 20.538 ( -1.216 -0.797 3.425) 3.721 25.687 ( -1.261 0.926 -3.155) 3.522 25.810 ( -4.360 3.680 2.565) 6.255 28.472 ( 0.024 -0.080 0.020) 0.086 28.538 ( -0.747 -0.375 -0.033) 0.837 29.579 ( -0.002 -0.219 0.165) 0.274 29.685 ( -0.881 -0.653 -0.063) 1.099 31.840 ( 2.002 1.484 0.621) 2.568 32.033 ( 0.953 1.549 -3.731) 4.151 32.145 ( 3.066 3.394 3.095) 5.522 32.259 ( 0.179 5.836 0.844) 5.900 32.746 ( 2.195 0.380 -0.050) 2.228 33.278 ( -2.548 -2.534 -1.983) 4.104 33.751 ( 4.782 -3.234 0.260) 5.778 34.426 ( -4.230 -5.709 1.202) 7.207 ======================= Grid point 223 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 5.019 1.834 -1.487) 5.547 1.367 ( 2.486 1.363 0.654) 2.909 1.538 ( 0.486 -1.055 -2.392) 2.659 1.586 ( -1.344 -0.020 0.924) 1.631 1.879 ( 2.835 2.722 5.291) 6.591 1.965 ( -2.243 7.436 -0.017) 7.767 2.048 ( 5.400 4.507 -3.924) 8.054 2.126 ( 4.140 -0.144 -1.547) 4.422 2.215 ( 5.396 2.155 -1.622) 6.032 2.283 ( 3.973 1.117 -2.352) 4.750 2.365 ( 2.908 -2.054 -1.067) 3.716 2.444 ( -0.590 -1.153 -2.900) 3.176 2.815 ( -4.188 -2.459 5.470) 7.315 2.845 ( -2.917 6.005 0.107) 6.677 2.902 ( 2.372 0.210 -5.863) 6.328 3.083 ( 1.508 3.207 -2.842) 4.543 3.117 ( 5.529 6.586 2.679) 9.007 3.161 ( -5.723 6.188 6.249) 10.492 3.365 ( 2.488 1.377 2.695) 3.917 3.455 ( -3.957 1.374 -1.208) 4.360 3.618 ( -6.880 0.842 5.742) 9.001 3.708 ( 1.853 -3.119 4.807) 6.022 3.793 ( -0.712 -3.887 -2.767) 4.824 3.986 ( -6.192 8.616 3.001) 11.027 4.173 ( 5.911 -1.555 -5.652) 8.325 4.640 ( -5.302 1.102 -1.155) 5.537 4.702 ( 0.793 2.217 3.133) 3.919 4.837 ( 0.291 1.139 -2.539) 2.798 4.914 ( -3.782 6.145 3.800) 8.155 5.171 ( 7.121 -5.547 -5.412) 10.525 5.270 ( -4.383 0.499 -5.209) 6.826 5.436 ( -1.759 -1.105 1.804) 2.752 5.539 ( 4.315 -4.542 -2.434) 6.721 5.856 ( -5.978 -0.628 4.862) 7.731 6.007 ( 6.739 -1.349 5.545) 8.831 6.564 ( -2.774 -4.779 -6.524) 8.550 9.089 ( 0.700 -0.663 -0.360) 1.029 9.136 ( -0.364 -0.791 0.028) 0.871 9.529 ( 0.929 -0.672 1.306) 1.738 9.604 ( 0.866 -0.412 -0.346) 1.020 9.985 ( 1.408 1.300 -3.202) 3.731 10.166 ( -3.511 0.517 2.670) 4.441 11.619 ( 0.815 0.480 1.983) 2.197 11.726 ( -0.622 0.317 -1.591) 1.738 13.192 ( 0.349 -0.474 0.216) 0.627 13.201 ( 0.307 -0.004 -0.303) 0.432 14.710 ( -0.796 -0.308 -0.764) 1.146 14.733 ( -0.930 0.372 -0.762) 1.259 14.925 ( 0.355 -0.395 0.032) 0.532 14.950 ( -0.628 0.590 0.209) 0.886 15.180 ( 4.138 -2.039 1.163) 4.757 15.433 ( -2.778 -1.891 2.252) 4.045 16.070 ( 0.772 0.472 -0.510) 1.039 16.088 ( 1.068 2.671 -0.775) 2.979 17.387 ( -0.218 -0.442 0.544) 0.734 17.394 ( 0.091 -0.221 -0.701) 0.741 20.514 ( 0.327 0.028 0.404) 0.521 20.542 ( 0.002 -0.065 -0.678) 0.681 25.704 ( 0.461 -3.500 2.692) 4.440 25.787 ( -0.001 -3.467 -2.381) 4.206 28.478 ( 0.575 -0.267 -0.185) 0.660 28.536 ( -0.904 -0.392 0.226) 1.011 29.592 ( 1.212 -0.620 -0.190) 1.374 29.686 ( -0.979 -0.521 0.160) 1.120 31.832 ( 1.410 1.568 0.435) 2.153 31.995 ( -1.691 1.273 -2.774) 3.489 32.095 ( -0.267 4.884 2.378) 5.439 32.183 ( -2.293 2.334 0.850) 3.381 32.766 ( 3.321 0.600 0.611) 3.430 33.217 ( -6.316 2.025 -6.761) 9.472 33.880 ( 6.983 -1.993 11.611) 13.695 34.451 ( -2.592 -2.038 -6.526) 7.311 ======================= Grid point 224 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 6.316 4.947 -2.678) 8.458 1.361 ( 2.043 2.139 0.461) 2.994 1.546 ( 0.239 1.790 0.735) 1.950 1.577 ( 0.141 -0.135 -0.872) 0.893 1.739 ( -0.225 12.447 -3.185) 12.850 1.833 ( -1.833 8.141 4.796) 9.625 2.005 ( 2.673 5.430 -4.780) 7.712 2.101 ( -1.283 4.749 3.894) 6.274 2.194 ( 5.836 6.193 -0.884) 8.556 2.243 ( 2.695 4.552 -2.348) 5.788 2.459 ( -1.124 -2.841 -1.308) 3.324 2.498 ( 7.621 -6.446 -5.841) 11.565 2.670 ( -3.865 6.111 3.737) 8.139 2.739 ( -7.359 8.849 2.029) 11.687 2.887 ( -0.207 0.525 -3.432) 3.478 2.966 ( -3.729 8.256 5.433) 10.564 3.053 ( 5.495 4.192 1.073) 6.994 3.119 ( -0.210 2.950 -2.851) 4.108 3.304 ( -1.222 4.068 -2.632) 4.997 3.443 ( 0.387 0.231 3.372) 3.402 3.544 ( -9.225 2.246 8.406) 12.680 3.641 ( -10.781 16.151 1.213) 19.456 3.741 ( 2.344 1.067 2.372) 3.501 3.881 ( -3.367 -4.343 0.976) 5.581 4.270 ( 5.938 -1.760 -6.345) 8.867 4.510 ( -8.501 4.673 1.599) 9.832 4.694 ( 0.354 -0.638 1.274) 1.468 4.752 ( -4.075 1.607 2.202) 4.903 4.883 ( 4.225 1.206 -1.516) 4.648 5.160 ( -7.231 2.462 -3.730) 8.501 5.334 ( 10.043 -4.216 -5.691) 12.289 5.488 ( 0.916 -3.497 4.454) 5.737 5.675 ( 2.909 -7.407 -5.750) 9.818 5.808 ( -7.177 -0.057 3.722) 8.084 6.161 ( 9.089 -3.915 11.218) 14.959 6.608 ( -2.435 -5.620 -12.419) 13.847 9.128 ( 1.670 -2.862 -0.814) 3.412 9.165 ( -0.212 -2.887 0.471) 2.933 9.559 ( 1.805 -0.614 1.662) 2.529 9.618 ( 0.887 -0.191 -0.349) 0.972 9.969 ( 1.738 1.106 -3.812) 4.334 10.119 ( -5.833 0.851 3.601) 6.908 11.627 ( 0.898 0.429 2.941) 3.105 11.709 ( -1.017 0.090 -2.570) 2.766 13.187 ( 1.220 1.260 -0.937) 1.988 13.205 ( -0.210 0.236 0.740) 0.805 14.707 ( -0.539 -0.399 -0.631) 0.920 14.713 ( -0.662 0.548 -0.983) 1.305 14.903 ( 2.172 2.043 -3.665) 4.725 14.945 ( -2.578 0.528 3.771) 4.598 15.293 ( 4.527 -4.910 6.190) 9.106 15.460 ( -1.115 -3.326 -1.206) 3.709 16.046 ( -0.209 2.142 0.987) 2.368 16.078 ( 0.248 -0.694 -2.224) 2.343 17.388 ( 0.667 0.137 -1.156) 1.342 17.400 ( -0.458 -0.370 0.973) 1.137 20.505 ( -0.351 1.511 3.933) 4.228 20.534 ( 1.050 0.853 -4.685) 4.876 25.840 ( 1.404 -9.855 9.573) 13.810 25.914 ( 3.582 -11.263 -8.507) 14.563 28.490 ( 1.060 -0.346 -0.344) 1.167 28.534 ( -1.046 -0.345 0.418) 1.179 29.620 ( 2.058 -0.791 -0.588) 2.282 29.685 ( -1.099 -0.589 0.484) 1.338 31.821 ( 1.570 1.427 0.376) 2.155 31.943 ( -3.359 0.898 -2.025) 4.023 32.012 ( -1.511 4.091 1.525) 4.620 32.120 ( -6.241 0.959 0.840) 6.370 32.792 ( 4.239 1.131 1.445) 4.619 33.076 ( -6.689 4.161 -6.507) 10.218 33.993 ( 6.415 2.460 18.488) 19.724 34.396 ( -1.608 2.828 -14.754) 15.109 ======================= Grid point 225 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.386 5.906 -3.822) 10.200 1.300 ( 2.356 8.440 -1.902) 8.966 1.444 ( 0.336 10.801 2.371) 11.063 1.518 ( -4.513 9.256 -1.557) 10.415 1.583 ( 2.864 2.763 1.861) 4.393 1.681 ( -5.979 3.783 1.426) 7.217 1.903 ( 2.615 6.568 -2.806) 7.606 1.966 ( -4.397 7.082 3.533) 9.054 2.152 ( 4.699 5.455 3.243) 7.897 2.205 ( 0.798 2.204 -2.784) 3.640 2.430 ( 1.579 17.439 1.176) 17.550 2.469 ( -3.626 4.904 -3.702) 7.134 2.581 ( 0.258 5.634 3.176) 6.472 2.646 ( -1.627 -2.391 -1.523) 3.268 2.773 ( 4.458 9.120 -6.829) 12.235 2.864 ( -4.661 0.137 2.577) 5.328 2.999 ( 0.239 5.384 0.601) 5.423 3.028 ( -3.160 4.422 1.896) 5.756 3.218 ( 1.877 5.622 -3.642) 6.956 3.292 ( -9.416 7.825 7.366) 14.288 3.455 ( 0.861 -0.407 3.440) 3.570 3.518 ( -4.376 -2.627 -1.647) 5.363 3.764 ( 3.697 0.607 3.615) 5.206 3.866 ( -4.638 -0.093 -2.294) 5.175 4.263 ( 3.690 4.434 -7.491) 9.455 4.339 ( -7.465 6.567 4.119) 10.761 4.752 ( -0.536 -1.632 4.384) 4.709 4.770 ( 0.010 -4.362 -1.397) 4.581 4.923 ( 4.917 -2.538 -1.790) 5.816 5.057 ( -8.677 -1.997 0.920) 8.951 5.464 ( 10.103 -0.659 -5.323) 11.439 5.562 ( -0.701 -1.183 8.548) 8.657 5.736 ( -3.094 -0.126 4.508) 5.469 5.800 ( -1.266 -5.508 -9.770) 11.286 6.362 ( 9.509 -4.266 13.011) 16.670 6.605 ( -5.018 -3.074 -16.118) 17.159 9.213 ( 2.027 -5.196 -0.609) 5.611 9.233 ( -0.162 -5.067 0.490) 5.093 9.590 ( 2.177 0.141 1.863) 2.868 9.621 ( 0.283 0.374 -0.870) 0.988 9.960 ( 2.620 1.139 -3.403) 4.443 10.044 ( -7.104 1.574 3.092) 7.906 11.641 ( 1.035 0.259 4.071) 4.209 11.688 ( -1.201 -0.002 -3.782) 3.968 13.172 ( 1.434 1.801 -0.668) 2.398 13.189 ( -0.644 1.460 0.490) 1.669 14.701 ( -0.096 0.134 1.236) 1.247 14.711 ( -0.059 -0.756 -2.218) 2.344 14.881 ( 2.136 1.969 -3.072) 4.229 14.907 ( -2.515 1.895 3.101) 4.420 15.469 ( 3.259 -8.600 7.280) 11.729 15.525 ( 0.321 -5.916 -2.825) 6.564 16.024 ( 1.266 1.184 2.298) 2.878 16.082 ( -1.817 -1.521 -3.239) 4.013 17.390 ( 0.996 0.226 -1.322) 1.671 17.400 ( -0.717 0.150 1.300) 1.492 20.487 ( -0.167 1.719 4.730) 5.036 20.505 ( 1.126 1.752 -5.467) 5.851 26.145 ( 0.857 -20.461 18.027) 27.283 26.193 ( 6.471 -20.630 -16.457) 27.172 28.507 ( 1.378 -0.347 -0.581) 1.535 28.530 ( -1.224 -0.259 0.650) 1.410 29.653 ( 2.469 -0.716 -0.949) 2.741 29.688 ( -1.440 -0.805 0.868) 1.865 31.822 ( 2.974 0.903 0.354) 3.128 31.891 ( -3.458 0.586 -1.218) 3.713 31.944 ( -0.721 2.854 0.716) 3.030 32.030 ( -9.369 0.807 0.580) 9.422 32.812 ( 4.091 2.162 1.960) 5.025 32.923 ( -5.191 4.733 -4.307) 8.240 34.010 ( 3.932 9.826 24.665) 26.840 34.217 ( -1.529 10.312 -23.775) 25.960 ======================= Grid point 226 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 7.805 14.984 -7.726) 18.577 1.114 ( -7.805 14.984 7.726) 18.577 1.304 ( 6.895 8.514 -11.940) 16.204 1.304 ( -6.895 8.514 11.940) 16.204 1.603 ( -3.307 0.033 -4.263) 5.395 1.603 ( 3.307 0.033 4.263) 5.395 1.841 ( 0.949 4.693 -5.918) 7.612 1.841 ( -0.949 4.693 5.918) 7.612 1.998 ( -7.335 19.913 -4.940) 21.789 1.998 ( 7.335 19.913 4.940) 21.789 2.274 ( -4.748 1.251 -7.506) 8.969 2.274 ( 4.748 1.251 7.506) 8.969 2.570 ( -1.053 2.334 -8.916) 9.276 2.570 ( 1.053 2.334 8.916) 9.276 2.768 ( 7.346 2.949 -8.816) 11.848 2.768 ( -7.346 2.949 8.816) 11.848 2.941 ( -1.688 3.699 -1.474) 4.325 2.941 ( 1.688 3.699 1.474) 4.325 3.168 ( 1.120 1.776 -6.236) 6.580 3.168 ( -1.120 1.776 6.236) 6.580 3.538 ( -3.508 -4.470 -1.627) 5.911 3.538 ( 3.508 -4.470 1.627) 5.911 3.813 ( -4.433 -0.289 -3.263) 5.512 3.813 ( 4.433 -0.289 3.263) 5.512 4.202 ( 3.784 3.587 -5.450) 7.542 4.202 ( -3.784 3.587 5.450) 7.542 4.751 ( 1.508 3.296 -10.359) 10.975 4.751 ( -1.508 3.296 10.359) 10.975 5.084 ( 5.918 -7.715 -6.226) 11.546 5.084 ( -5.918 -7.715 6.226) 11.546 5.494 ( 0.662 6.263 -5.251) 8.200 5.494 ( -0.662 6.263 5.251) 8.200 5.802 ( -3.984 -2.574 -14.840) 15.579 5.802 ( 3.984 -2.574 14.840) 15.579 6.546 ( -6.295 -3.059 -12.105) 13.983 6.546 ( 6.295 -3.059 12.105) 13.983 9.328 ( 1.040 -6.224 -4.806) 7.932 9.328 ( -1.040 -6.224 4.806) 7.932 9.599 ( -0.922 1.544 -2.742) 3.279 9.599 ( 0.922 1.544 2.742) 3.279 9.964 ( 2.756 1.365 -2.389) 3.894 9.964 ( -2.756 1.365 2.389) 3.894 11.662 ( -0.889 0.067 -5.426) 5.499 11.662 ( 0.889 0.067 5.426) 5.499 13.149 ( 0.506 2.135 -1.673) 2.759 13.149 ( -0.506 2.135 1.673) 2.759 14.713 ( -0.396 -0.452 -2.579) 2.648 14.713 ( 0.396 -0.452 2.579) 2.648 14.861 ( 1.639 1.695 -2.415) 3.375 14.861 ( -1.639 1.695 2.415) 3.375 15.661 ( 7.178 -9.887 -12.519) 17.493 15.661 ( -7.178 -9.887 12.519) 17.493 16.070 ( -5.146 -2.440 -4.731) 7.404 16.070 ( 5.146 -2.440 4.731) 7.404 17.390 ( 1.091 0.496 -2.512) 2.783 17.390 ( -1.091 0.496 2.512) 2.783 20.471 ( 0.806 1.437 -4.305) 4.609 20.471 ( -0.806 1.437 4.305) 4.609 26.662 ( 6.465 -34.774 -23.652) 42.549 26.662 ( -6.465 -34.774 23.652) 42.549 28.525 ( 1.268 -0.382 -1.296) 1.853 28.525 ( -1.268 -0.382 1.296) 1.853 29.684 ( 1.895 -0.347 -0.784) 2.080 29.684 ( -1.895 -0.347 0.784) 2.080 31.849 ( -3.249 0.339 -0.381) 3.288 31.849 ( 3.249 0.339 0.381) 3.288 31.924 ( -6.749 1.656 0.274) 6.955 31.924 ( 6.749 1.656 -0.274) 6.955 32.805 ( -1.370 3.120 -3.441) 4.843 32.805 ( 1.370 3.120 3.441) 4.843 33.854 ( -0.568 21.687 -28.996) 36.214 33.854 ( 0.568 21.687 28.996) 36.214 ======================= Grid point 230 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 6.118 0.000 -7.502) 9.680 0.969 ( 3.765 0.000 -20.828) 21.166 1.223 ( 17.198 0.000 0.584) 17.207 1.274 ( 5.598 0.000 7.269) 9.175 1.626 ( 13.078 0.000 2.775) 13.369 1.665 ( 2.742 0.000 -1.086) 2.949 1.889 ( 6.615 0.000 4.243) 7.859 1.941 ( 1.395 0.000 -5.253) 5.436 2.008 ( 10.956 0.000 4.856) 11.984 2.103 ( 2.131 0.000 0.707) 2.245 2.123 ( 5.006 0.000 -1.800) 5.319 2.246 ( 1.802 0.000 4.705) 5.038 2.332 ( 9.284 0.000 3.736) 10.007 2.652 ( -0.204 -0.000 -0.782) 0.808 2.746 ( 0.792 0.000 -4.315) 4.387 2.858 ( 7.274 0.000 5.112) 8.891 3.005 ( 4.235 0.000 1.586) 4.522 3.118 ( 3.456 0.000 -0.612) 3.510 3.255 ( 5.245 0.000 -3.465) 6.286 3.304 ( -0.317 -0.000 -2.917) 2.935 3.435 ( -1.035 -0.000 2.056) 2.302 3.684 ( 6.058 0.000 -6.808) 9.113 3.825 ( 3.070 0.000 6.672) 7.344 3.992 ( 0.759 0.000 0.831) 1.125 4.360 ( 7.118 0.000 -3.452) 7.910 4.414 ( 5.370 0.000 4.925) 7.287 4.650 ( 4.409 0.000 2.335) 4.989 4.741 ( -2.259 -0.000 0.981) 2.463 5.090 ( 4.751 0.000 -3.691) 6.016 5.145 ( -2.242 -0.000 -10.028) 10.275 5.340 ( 1.128 0.000 -2.874) 3.087 5.485 ( -6.305 -0.000 -9.009) 10.996 5.832 ( -10.601 -0.000 29.708) 31.543 5.905 ( 10.105 0.000 -7.159) 12.384 6.389 ( -6.988 -0.000 -1.098) 7.074 6.422 ( -8.662 -0.000 1.901) 8.868 9.291 ( -3.708 -0.000 -3.735) 5.263 9.339 ( -6.327 -0.000 4.082) 7.529 9.484 ( 0.670 0.000 -1.580) 1.716 9.579 ( -0.318 -0.000 1.172) 1.214 10.129 ( 3.193 0.000 -2.643) 4.145 10.139 ( 5.825 0.000 -0.857) 5.887 11.610 ( 1.171 0.000 0.656) 1.342 11.764 ( 0.795 0.000 2.709) 2.823 13.085 ( 0.583 0.000 -3.164) 3.217 13.098 ( -0.644 -0.000 3.544) 3.602 14.655 ( -1.064 -0.000 1.626) 1.943 14.765 ( -0.268 -0.000 -0.355) 0.445 14.841 ( 1.188 0.000 -0.758) 1.409 14.850 ( 0.664 0.000 -1.232) 1.400 15.499 ( -10.998 -0.000 -19.363) 22.268 15.557 ( -9.592 -0.000 14.493) 17.380 16.178 ( -1.309 -0.000 -3.243) 3.497 16.231 ( 5.566 0.000 2.505) 6.104 17.325 ( -1.345 -0.000 -1.129) 1.756 17.357 ( -0.587 -0.000 0.458) 0.745 20.347 ( -1.061 -0.000 -0.984) 1.447 20.407 ( -0.739 -0.000 2.239) 2.358 26.367 ( -28.769 -0.000 -30.000) 41.566 26.593 ( -28.722 -0.000 18.937) 34.404 28.496 ( -0.953 -0.000 0.934) 1.334 28.524 ( -0.270 -0.000 -1.023) 1.058 29.594 ( -1.919 -0.000 1.320) 2.329 29.662 ( -0.873 -0.000 -1.219) 1.499 31.859 ( 4.291 0.000 2.892) 5.174 32.051 ( 6.416 0.000 -4.955) 8.107 32.339 ( 4.933 0.000 0.488) 4.957 32.554 ( 0.155 0.000 -3.803) 3.806 32.889 ( -0.841 -0.000 -2.388) 2.532 32.901 ( -2.256 -0.000 1.243) 2.576 33.399 ( 21.127 0.000 32.675) 38.910 33.586 ( 18.665 0.000 -17.353) 25.486 ======================= Grid point 231 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 5.965 -5.784 -8.067) 11.581 1.026 ( 5.205 -9.193 -13.244) 16.941 1.382 ( 3.880 -4.695 7.116) 9.367 1.505 ( 14.946 -9.030 -0.271) 17.464 1.582 ( 6.238 6.661 -0.766) 9.158 1.808 ( 2.778 0.248 -0.827) 2.910 1.877 ( 7.245 0.857 3.729) 8.193 1.991 ( 9.862 -1.265 4.359) 10.856 2.094 ( 2.829 -4.893 -1.783) 5.927 2.161 ( 6.169 -2.801 -0.490) 6.793 2.241 ( 5.471 -4.153 -0.504) 6.887 2.362 ( 7.625 -1.884 1.958) 8.094 2.486 ( 8.583 -3.823 2.975) 9.856 2.694 ( -1.056 -4.255 -2.037) 4.834 2.736 ( 2.339 -0.875 -5.203) 5.771 2.979 ( 10.265 -1.908 6.193) 12.140 3.030 ( 4.542 2.218 0.295) 5.063 3.144 ( 1.799 0.350 2.108) 2.793 3.243 ( 1.092 2.342 -0.218) 2.593 3.291 ( -1.775 -0.691 -1.707) 2.557 3.449 ( 3.768 -1.406 1.226) 4.205 3.741 ( 6.769 0.510 -3.971) 7.865 3.829 ( 3.471 3.096 2.154) 5.126 4.046 ( 1.276 -3.014 -0.068) 3.273 4.421 ( 4.572 0.724 -0.532) 4.660 4.463 ( 6.319 1.089 2.960) 7.062 4.711 ( -2.496 -2.611 -6.103) 7.092 4.757 ( 1.848 -3.649 5.129) 6.560 5.029 ( -4.404 4.335 -9.307) 11.171 5.149 ( 2.840 -2.483 -3.574) 5.197 5.303 ( -0.065 2.521 -1.442) 2.906 5.385 ( 0.807 3.274 -2.153) 4.000 5.808 ( -11.413 0.544 16.294) 19.901 5.975 ( 1.374 -0.554 -0.558) 1.583 6.226 ( -3.990 6.309 -2.891) 8.006 6.456 ( -10.142 -7.662 4.861) 13.609 9.232 ( -2.949 1.996 -1.454) 3.847 9.269 ( -4.729 2.267 1.900) 5.578 9.490 ( 0.577 -0.273 -0.246) 0.684 9.580 ( -0.342 -0.178 0.082) 0.394 10.106 ( 2.863 3.054 -2.637) 4.947 10.204 ( 2.839 -1.079 -1.967) 3.619 11.625 ( 1.455 0.401 2.105) 2.590 11.772 ( 0.471 0.423 1.316) 1.461 13.081 ( 0.364 -0.329 -1.022) 1.134 13.125 ( -0.396 -1.996 1.446) 2.496 14.659 ( -0.768 -0.745 2.679) 2.885 14.757 ( -0.670 -0.032 -2.305) 2.400 14.827 ( 1.148 1.339 -0.621) 1.870 14.883 ( 0.947 -2.097 -1.116) 2.557 15.335 ( -4.246 3.249 -16.866) 17.693 15.502 ( -8.824 0.845 14.269) 16.798 16.157 ( 0.820 0.905 -3.426) 3.637 16.251 ( 4.733 3.245 0.928) 5.813 17.324 ( -1.232 -1.419 0.075) 1.881 17.357 ( -0.466 -0.541 -0.348) 0.795 20.358 ( 0.134 -2.036 -1.618) 2.604 20.427 ( -0.482 -1.899 3.503) 4.014 26.012 ( -14.504 5.684 -20.983) 26.133 26.322 ( -21.649 7.418 14.361) 27.017 28.487 ( -0.656 0.368 0.509) 0.908 28.522 ( -0.413 -0.371 -0.557) 0.787 29.583 ( -1.477 -0.097 0.965) 1.767 29.655 ( -1.467 -0.715 -0.874) 1.851 31.901 ( 4.686 1.629 3.661) 6.165 32.091 ( 5.813 0.602 -5.636) 8.119 32.304 ( 3.918 5.882 0.345) 7.076 32.619 ( -2.179 -4.110 -4.226) 6.285 32.722 ( 4.124 8.318 6.201) 11.165 32.960 ( -0.410 -3.576 -0.982) 3.731 33.593 ( 14.847 0.252 -8.527) 17.123 33.896 ( 3.189 -14.614 13.953) 20.456 ======================= Grid point 232 (104/117) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 8.212 -7.106 -5.676) 12.254 1.245 ( 5.067 -11.636 -4.415) 13.437 1.479 ( -0.993 -1.761 6.119) 6.444 1.520 ( 3.221 2.713 -1.091) 4.350 1.709 ( 2.858 -1.015 -1.273) 3.290 1.877 ( 8.253 -6.902 -1.506) 10.864 1.955 ( 10.671 3.993 5.074) 12.472 2.141 ( 12.481 -1.547 0.995) 12.616 2.245 ( 7.415 -1.573 -3.590) 8.387 2.296 ( 3.952 -4.418 2.208) 6.326 2.356 ( 6.242 -6.144 -1.792) 8.940 2.436 ( 2.989 -0.860 1.602) 3.498 2.550 ( 1.012 0.622 -4.621) 4.771 2.761 ( 1.122 -4.453 1.057) 4.712 2.837 ( 6.785 -6.291 -0.955) 9.302 3.015 ( -1.196 0.801 -4.169) 4.410 3.065 ( 2.936 2.278 2.789) 4.646 3.207 ( 1.746 -5.020 -0.862) 5.384 3.239 ( 3.451 -3.125 8.865) 10.013 3.361 ( 6.745 -2.715 -0.914) 7.328 3.563 ( 3.243 -5.758 3.188) 7.337 3.719 ( -1.404 5.203 8.996) 10.486 3.873 ( 9.743 -1.263 -8.389) 12.919 4.033 ( 0.170 4.509 -4.935) 6.687 4.359 ( -2.155 7.486 1.432) 7.920 4.552 ( 3.815 -3.748 -2.938) 6.102 4.675 ( -7.444 -3.232 -4.890) 9.474 4.890 ( 7.394 -3.563 2.404) 8.553 4.925 ( 0.288 2.825 -2.321) 3.668 5.180 ( -2.040 -1.700 -3.249) 4.197 5.284 ( 2.644 3.395 4.270) 6.062 5.373 ( 5.263 0.465 -1.699) 5.551 5.688 ( -13.417 2.917 8.366) 16.079 5.935 ( -5.130 2.349 2.851) 6.322 6.107 ( 1.401 5.046 -4.415) 6.850 6.471 ( -11.984 -5.160 2.822) 13.349 9.164 ( -2.170 2.715 1.139) 3.657 9.200 ( -2.201 2.012 -0.718) 3.068 9.500 ( 0.395 -0.205 0.929) 1.030 9.580 ( -0.152 -0.238 -0.827) 0.873 10.075 ( 2.500 2.618 -2.620) 4.469 10.218 ( 0.368 0.468 -1.353) 1.479 11.635 ( 1.462 0.795 2.371) 2.897 11.767 ( 0.099 0.773 -0.070) 0.783 13.099 ( 0.449 -1.477 -0.145) 1.551 13.158 ( -0.501 -1.939 0.424) 2.047 14.677 ( -0.854 -1.119 3.479) 3.753 14.742 ( -0.733 -0.163 -3.415) 3.496 14.824 ( 1.696 0.444 0.397) 1.797 14.929 ( 0.536 -2.583 -0.756) 2.745 15.219 ( 0.339 2.961 -12.467) 12.818 15.445 ( -7.827 0.907 11.655) 14.069 16.143 ( 2.457 1.569 -3.051) 4.219 16.235 ( 3.643 3.579 0.171) 5.109 17.340 ( -1.225 -1.319 1.583) 2.397 17.365 ( -0.206 -1.180 -1.495) 1.916 20.401 ( 1.244 -2.777 -2.508) 3.944 20.472 ( -1.057 -2.601 4.092) 4.962 25.786 ( -5.658 4.057 -11.384) 13.344 26.044 ( -14.169 8.178 8.646) 18.504 28.476 ( -0.308 0.349 0.230) 0.519 28.523 ( -0.767 -0.438 -0.248) 0.918 29.574 ( -0.851 -0.083 0.491) 0.986 29.653 ( -1.551 -1.050 -0.393) 1.914 31.916 ( 4.110 2.791 2.961) 5.783 32.103 ( 4.164 1.914 -5.479) 7.143 32.263 ( 3.955 3.691 1.054) 5.512 32.523 ( -1.216 7.406 0.080) 7.505 32.757 ( 3.587 -0.274 2.577) 4.425 33.064 ( 0.002 -8.131 1.513) 8.271 33.676 ( 10.123 -0.105 -12.311) 15.939 34.132 ( -4.877 -10.334 11.299) 16.070 ======================= Grid point 233 (105/117) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 8.482 -5.688 -3.687) 10.858 1.412 ( 2.000 -1.424 0.476) 2.501 1.484 ( -0.691 -1.965 3.722) 4.265 1.535 ( -0.540 -1.547 -1.537) 2.247 1.790 ( 1.476 -6.441 4.070) 7.761 1.950 ( 3.132 0.182 -3.393) 4.621 2.097 ( 11.753 -3.111 0.067) 12.158 2.259 ( 11.013 1.257 -3.026) 11.491 2.277 ( 3.840 2.754 -3.671) 5.984 2.346 ( 7.638 2.959 2.160) 8.471 2.405 ( 6.630 5.418 0.262) 8.566 2.450 ( 1.298 2.708 0.263) 3.015 2.642 ( 1.258 -9.488 -5.601) 11.089 2.854 ( -5.806 2.316 -2.092) 6.592 2.880 ( 2.010 -6.408 3.808) 7.720 3.059 ( 0.795 0.234 2.345) 2.487 3.146 ( 10.908 -7.295 -0.802) 13.147 3.303 ( 0.077 -4.626 -0.588) 4.664 3.379 ( -1.991 -6.065 5.291) 8.291 3.431 ( 6.811 3.015 -1.608) 7.620 3.624 ( -5.565 0.948 8.462) 10.172 3.720 ( 1.661 -5.263 5.305) 7.655 3.832 ( -0.996 10.340 -2.678) 10.728 4.027 ( 6.339 -0.857 -5.353) 8.341 4.209 ( 2.583 4.839 -3.889) 6.724 4.598 ( -3.181 -2.717 -3.173) 5.251 4.685 ( -2.399 -3.895 -0.260) 4.582 4.879 ( -0.986 3.576 0.923) 3.822 5.013 ( 6.112 -1.943 -0.071) 6.413 5.145 ( -2.681 2.607 0.097) 3.741 5.256 ( 0.389 1.577 0.585) 1.726 5.430 ( 4.412 -0.311 -0.563) 4.458 5.545 ( -6.975 2.411 1.869) 7.613 5.854 ( -6.479 1.242 5.550) 8.621 6.046 ( 2.872 3.247 -1.752) 4.676 6.433 ( -10.136 -3.704 -1.798) 10.940 9.113 ( -0.777 1.839 1.076) 2.268 9.153 ( -1.088 1.406 -0.856) 1.973 9.512 ( 0.642 -0.236 1.372) 1.533 9.583 ( -0.032 -0.593 -0.954) 1.124 10.050 ( 2.639 2.297 -3.141) 4.702 10.195 ( -1.868 1.088 0.613) 2.247 11.642 ( 1.348 0.895 2.478) 2.959 11.749 ( -0.321 0.909 -1.260) 1.586 13.135 ( 0.513 -1.996 0.529) 2.127 13.182 ( -0.373 -1.428 -0.429) 1.537 14.695 ( -1.001 -0.764 2.818) 3.087 14.729 ( -0.660 -0.319 -3.045) 3.132 14.850 ( 1.673 -1.196 2.091) 2.933 14.967 ( -0.242 -1.635 -1.552) 2.268 15.167 ( 3.003 1.273 -7.728) 8.389 15.394 ( -6.758 -0.070 8.193) 10.621 16.129 ( 3.017 2.238 -2.332) 4.421 16.202 ( 2.085 3.642 0.049) 4.197 17.355 ( -0.792 -1.104 1.824) 2.274 17.379 ( -0.152 -1.012 -1.687) 1.973 20.456 ( 1.773 -2.726 -2.963) 4.400 20.511 ( -1.491 -1.952 3.742) 4.476 25.682 ( -1.494 1.579 -4.844) 5.310 25.838 ( -7.976 5.181 3.920) 10.287 28.472 ( 0.123 0.043 0.047) 0.139 28.521 ( -1.082 -0.462 -0.034) 1.177 29.575 ( 0.156 -0.349 0.172) 0.419 29.656 ( -1.562 -1.155 -0.086) 1.945 31.909 ( 3.318 3.022 2.084) 4.949 32.073 ( 1.510 2.977 -4.731) 5.790 32.246 ( 3.205 3.442 1.639) 4.980 32.384 ( -1.172 7.707 1.329) 7.908 32.791 ( 4.321 0.933 1.299) 4.608 33.176 ( -3.426 -5.194 -2.020) 6.542 33.759 ( 8.622 -2.663 -2.229) 9.295 34.252 ( -6.451 -8.332 3.073) 10.976 ======================= Grid point 234 (106/117) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 5.376 -0.962 -1.685) 5.715 1.408 ( 2.154 1.250 0.537) 2.548 1.521 ( -0.590 -1.249 0.178) 1.393 1.554 ( -1.238 -2.111 -0.219) 2.457 1.890 ( -1.529 -2.622 11.975) 12.354 1.998 ( 1.904 -2.625 -9.534) 10.070 2.178 ( 3.970 4.975 -0.793) 6.414 2.237 ( 4.295 3.523 -3.072) 6.348 2.310 ( 8.911 1.594 -5.241) 10.460 2.370 ( 7.588 4.541 0.008) 8.844 2.398 ( 7.494 2.529 -2.451) 8.281 2.441 ( 5.716 0.882 0.664) 5.822 2.744 ( -5.193 -1.849 6.120) 8.236 2.824 ( 1.171 -4.757 -5.584) 7.429 2.906 ( -3.978 1.393 -2.827) 5.075 3.107 ( 2.206 -1.087 1.169) 2.723 3.185 ( -9.347 5.191 7.160) 12.868 3.355 ( -1.643 4.306 0.722) 4.665 3.403 ( 2.084 -4.000 3.431) 5.667 3.469 ( 8.800 3.561 -0.739) 9.522 3.603 ( -0.913 -0.694 -0.673) 1.330 3.670 ( -2.364 2.099 3.284) 4.558 3.768 ( 1.295 2.348 0.897) 2.827 4.050 ( -0.672 2.095 3.823) 4.411 4.221 ( 6.582 1.788 -5.867) 8.997 4.578 ( -7.599 -0.971 -2.138) 7.953 4.729 ( 0.718 -1.744 2.041) 2.779 4.824 ( -2.039 -1.667 -0.147) 2.638 5.009 ( -1.630 5.986 3.001) 6.892 5.110 ( 0.084 -2.264 -5.613) 6.054 5.246 ( 2.001 0.614 -1.204) 2.415 5.413 ( -3.379 1.397 0.302) 3.669 5.537 ( 6.043 -1.086 -3.372) 7.005 5.799 ( -7.536 -0.173 6.028) 9.652 6.068 ( 5.748 -0.913 5.004) 7.675 6.411 ( -6.909 -5.060 -6.245) 10.599 9.093 ( 0.361 0.538 0.287) 0.708 9.126 ( -0.824 0.380 -0.406) 0.994 9.532 ( 1.216 -0.636 1.554) 2.074 9.593 ( -0.227 -0.956 -0.883) 1.321 10.030 ( 3.287 2.202 -4.022) 5.642 10.152 ( -3.908 1.183 2.859) 4.984 11.647 ( 1.245 0.820 2.686) 3.072 11.724 ( -0.744 0.793 -2.123) 2.385 13.175 ( 0.400 -1.695 0.907) 1.964 13.197 ( -0.014 -0.805 -0.919) 1.222 14.698 ( -0.611 -0.102 0.457) 0.770 14.720 ( -1.005 -0.238 -1.328) 1.682 14.901 ( 0.617 -1.988 3.218) 3.832 14.962 ( -0.497 0.546 -3.121) 3.207 15.193 ( 5.068 -1.383 -2.980) 6.039 15.370 ( -5.581 -1.780 5.197) 7.831 16.111 ( 2.532 2.427 -1.653) 3.878 16.152 ( 0.618 3.663 0.165) 3.719 17.373 ( -0.484 -0.973 1.725) 2.039 17.386 ( 0.050 -0.545 -1.751) 1.834 20.503 ( 1.604 -1.720 -2.717) 3.594 20.531 ( -1.366 -0.925 2.839) 3.284 25.667 ( 0.285 -1.402 -0.391) 1.483 25.743 ( -3.330 0.286 0.256) 3.353 28.478 ( 0.640 -0.302 -0.155) 0.725 28.518 ( -1.257 -0.538 0.181) 1.379 29.592 ( 1.254 -0.768 -0.023) 1.470 29.659 ( -1.674 -1.026 0.055) 1.964 31.893 ( 2.650 2.880 1.480) 4.184 32.010 ( -1.012 3.015 -3.544) 4.762 32.202 ( 1.438 5.348 1.462) 5.728 32.251 ( -1.423 6.728 1.406) 7.020 32.826 ( 5.544 1.039 1.667) 5.882 33.150 ( -6.859 0.097 -5.829) 9.002 33.924 ( 8.624 -4.972 7.980) 12.759 34.315 ( -6.031 -6.445 -4.594) 9.951 ======================= Grid point 235 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 3.076 1.325 -0.499) 3.386 1.411 ( 0.986 1.503 0.111) 1.801 1.545 ( 1.573 -1.310 -2.354) 3.119 1.564 ( -1.565 -0.745 1.672) 2.408 1.932 ( -2.520 2.384 10.430) 10.991 1.938 ( 1.840 7.964 -6.446) 10.409 2.123 ( 5.136 4.231 -5.328) 8.524 2.174 ( -1.144 4.487 2.448) 5.237 2.318 ( 1.973 2.828 1.050) 3.605 2.339 ( 1.599 4.250 -4.321) 6.268 2.467 ( 13.487 2.214 -6.532) 15.148 2.489 ( 8.087 0.206 -2.350) 8.424 2.687 ( -9.844 5.651 1.531) 11.453 2.730 ( -11.990 -0.045 7.809) 14.309 2.950 ( 5.639 -0.497 -7.323) 9.256 3.031 ( -8.110 1.646 8.613) 11.945 3.121 ( 4.372 2.363 -1.740) 5.266 3.225 ( -4.007 6.823 0.092) 7.914 3.404 ( 7.638 6.260 -1.193) 9.947 3.479 ( 2.124 2.392 1.131) 3.393 3.598 ( 1.806 5.583 5.696) 8.178 3.725 ( -4.254 -4.141 3.581) 6.933 3.758 ( 0.894 -1.197 -2.879) 3.243 3.824 ( -9.614 11.867 1.001) 15.305 4.298 ( 9.067 -1.491 -3.549) 9.851 4.472 ( -9.691 1.276 0.115) 9.775 4.749 ( 0.485 3.696 5.126) 6.337 4.793 ( -1.525 5.148 -4.083) 6.745 4.955 ( 4.926 0.945 3.026) 5.858 5.099 ( -6.536 -0.854 -5.297) 8.456 5.313 ( 6.725 -4.905 -3.320) 8.961 5.398 ( -3.628 -4.405 2.104) 6.083 5.622 ( 6.729 -2.411 -4.882) 8.656 5.742 ( -8.255 -0.396 5.153) 9.740 6.212 ( 8.219 -4.451 10.996) 14.432 6.424 ( -6.153 -6.319 -10.793) 13.938 9.105 ( 1.089 -1.171 -0.313) 1.629 9.124 ( -0.900 -1.247 0.105) 1.542 9.566 ( 1.738 -1.031 1.651) 2.610 9.603 ( -0.810 -1.107 -1.056) 1.731 10.018 ( 4.391 2.050 -4.287) 6.470 10.095 ( -5.519 1.446 3.949) 6.938 11.655 ( 1.214 0.641 2.985) 3.285 11.696 ( -1.082 0.548 -2.736) 2.992 13.200 ( 0.256 -0.541 0.392) 0.716 13.204 ( 0.156 -0.270 -0.448) 0.546 14.697 ( 0.143 -0.122 -0.784) 0.806 14.708 ( -1.152 0.107 -0.013) 1.157 14.932 ( 0.351 -0.063 -0.079) 0.365 14.939 ( -0.542 0.516 0.126) 0.759 15.282 ( 5.410 -3.304 0.081) 6.340 15.375 ( -4.544 -3.219 2.008) 5.919 16.087 ( 1.019 2.034 -0.437) 2.316 16.097 ( 0.089 2.887 -0.362) 2.911 17.387 ( -0.187 -0.552 0.913) 1.083 17.390 ( 0.096 -0.452 -1.013) 1.113 20.525 ( 0.354 -0.028 0.803) 0.878 20.535 ( -0.148 -0.090 -0.974) 0.989 25.735 ( 0.452 -5.717 4.185) 7.099 25.766 ( -0.165 -5.688 -3.992) 6.952 28.493 ( 1.121 -0.482 -0.329) 1.263 28.516 ( -1.328 -0.562 0.354) 1.485 29.623 ( 1.952 -0.967 -0.265) 2.194 29.659 ( -1.809 -0.916 0.246) 2.043 31.875 ( 2.508 2.381 1.143) 3.642 31.937 ( -2.539 2.318 -2.240) 4.103 32.107 ( 0.563 6.519 1.211) 6.654 32.138 ( -2.356 5.264 0.384) 5.780 32.872 ( 6.410 1.341 2.855) 7.144 33.038 ( -7.608 2.026 -5.622) 9.674 34.108 ( 7.681 -2.686 13.661) 15.901 34.317 ( -5.560 -2.924 -11.500) 13.104 ======================= Grid point 236 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 1.922 2.779 -1.794) 3.826 1.378 ( -1.922 2.779 1.794) 3.826 1.565 ( 1.434 0.406 -5.605) 5.800 1.565 ( -1.434 0.406 5.605) 5.800 1.774 ( 4.923 12.197 -6.188) 14.537 1.774 ( -4.923 12.197 6.188) 14.537 2.062 ( 5.224 7.498 -5.140) 10.484 2.062 ( -5.224 7.498 5.140) 10.484 2.267 ( -0.308 4.289 -4.926) 6.539 2.267 ( 0.308 4.289 4.926) 6.539 2.507 ( -0.011 0.796 -3.128) 3.227 2.507 ( 0.011 0.796 3.128) 3.227 2.640 ( 5.990 -1.025 -5.679) 8.317 2.640 ( -5.990 -1.025 5.679) 8.317 2.920 ( 5.410 8.006 -6.673) 11.743 2.920 ( -5.410 8.006 6.673) 11.743 3.108 ( -0.134 3.979 -3.316) 5.181 3.108 ( 0.134 3.979 3.316) 5.181 3.367 ( 11.320 7.969 -7.637) 15.811 3.367 ( -11.320 7.969 7.637) 15.811 3.508 ( -1.396 6.000 -7.619) 9.798 3.508 ( 1.396 6.000 7.619) 9.798 3.806 ( -0.407 -1.656 -4.267) 4.596 3.806 ( 0.407 -1.656 4.267) 4.596 4.367 ( 7.105 2.531 -4.621) 8.845 4.367 ( -7.105 2.531 4.621) 8.845 4.708 ( 0.088 -0.091 -0.881) 0.890 4.708 ( -0.088 -0.091 0.881) 0.890 4.998 ( -1.447 2.421 -7.303) 7.829 4.998 ( 1.447 2.421 7.303) 7.829 5.474 ( 5.938 -6.271 -5.129) 10.044 5.474 ( -5.938 -6.271 5.129) 10.044 5.706 ( 3.980 -2.269 -5.523) 7.176 5.706 ( -3.980 -2.269 5.523) 7.176 6.418 ( -8.146 -5.150 -14.382) 17.313 6.418 ( 8.146 -5.150 14.382) 17.313 9.153 ( 0.582 -3.332 -1.421) 3.669 9.153 ( -0.582 -3.332 1.421) 3.669 9.605 ( -0.594 -0.851 -2.516) 2.721 9.605 ( 0.594 -0.851 2.516) 2.721 10.021 ( 4.771 1.847 -4.102) 6.557 10.021 ( -4.771 1.847 4.102) 6.557 11.668 ( -0.373 0.345 -4.621) 4.648 11.668 ( 0.373 0.345 4.621) 4.648 13.202 ( 0.685 0.648 -1.117) 1.462 13.202 ( -0.685 0.648 1.117) 1.462 14.700 ( 0.794 -0.161 -2.175) 2.321 14.700 ( -0.794 -0.161 2.175) 2.321 14.922 ( 2.201 1.324 -4.117) 4.853 14.922 ( -2.201 1.324 4.117) 4.853 15.403 ( 2.701 -5.027 -13.392) 14.557 15.403 ( -2.701 -5.027 13.392) 14.557 16.061 ( -0.205 1.271 -2.884) 3.159 16.061 ( 0.205 1.271 2.884) 3.159 17.395 ( 0.818 -0.226 -2.208) 2.365 17.395 ( -0.818 -0.226 2.208) 2.365 20.522 ( 1.047 1.046 -5.552) 5.746 20.522 ( -1.047 1.046 5.552) 5.746 25.905 ( 1.159 -12.399 -10.132) 16.054 25.905 ( -1.159 -12.399 10.132) 16.054 28.512 ( 0.105 -0.452 -0.490) 0.675 28.512 ( -0.105 -0.452 0.490) 0.675 29.657 ( -0.456 -0.923 -0.174) 1.044 29.657 ( 0.456 -0.923 0.174) 1.044 31.873 ( -2.985 1.377 -1.093) 3.464 31.873 ( 2.985 1.377 1.093) 3.464 32.025 ( -2.637 4.671 -0.460) 5.384 32.025 ( 2.637 4.671 0.460) 5.384 32.914 ( -4.980 2.563 -5.350) 7.745 32.914 ( 4.980 2.563 5.350) 7.745 34.225 ( -4.979 2.560 -18.941) 19.752 34.225 ( 4.979 2.560 18.941) 19.752 ======================= Grid point 242 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 12.018 0.000 -10.842) 16.186 0.981 ( 6.552 0.000 -4.310) 7.842 1.423 ( 4.834 0.000 8.672) 9.928 1.584 ( 16.617 0.000 1.359) 16.672 1.691 ( 2.313 0.000 -1.628) 2.829 1.821 ( 0.553 0.000 -1.226) 1.345 1.867 ( 3.076 0.000 -3.619) 4.750 2.105 ( 11.643 0.000 -0.472) 11.653 2.142 ( 7.969 0.000 -7.439) 10.901 2.204 ( 7.580 0.000 6.215) 9.802 2.279 ( 6.592 0.000 2.197) 6.948 2.364 ( 4.244 0.000 4.287) 6.033 2.611 ( 13.447 0.000 3.440) 13.880 2.620 ( -3.010 -0.000 -4.980) 5.819 2.731 ( 3.134 0.000 -6.018) 6.785 3.100 ( 11.981 0.000 8.391) 14.627 3.102 ( 2.060 0.000 0.519) 2.124 3.194 ( 5.232 0.000 4.958) 7.208 3.236 ( -5.475 -0.000 0.488) 5.496 3.256 ( -1.695 -0.000 -1.752) 2.438 3.465 ( 0.974 0.000 5.108) 5.200 3.818 ( 13.091 0.000 -10.587) 16.836 3.957 ( -3.959 -0.000 -1.122) 4.115 3.967 ( 6.488 0.000 6.546) 9.217 4.445 ( 3.031 0.000 -4.603) 5.512 4.570 ( 4.880 0.000 5.951) 7.696 4.621 ( -7.009 -0.000 -5.580) 8.959 4.784 ( 6.512 0.000 4.731) 8.049 4.959 ( -7.352 -0.000 -12.331) 14.356 5.148 ( 1.091 0.000 -1.149) 1.584 5.346 ( 5.488 0.000 -4.550) 7.128 5.381 ( -1.389 -0.000 -1.805) 2.278 5.782 ( -11.097 -0.000 19.460) 22.402 5.960 ( -1.776 -0.000 -1.938) 2.629 6.267 ( -3.512 -0.000 -4.663) 5.837 6.274 ( -8.577 -0.000 5.397) 10.133 9.218 ( -2.100 -0.000 -1.798) 2.764 9.248 ( -4.799 -0.000 2.568) 5.443 9.496 ( 0.940 0.000 0.001) 0.940 9.575 ( -0.421 -0.000 -0.106) 0.434 10.147 ( 2.508 0.000 -7.547) 7.953 10.212 ( 1.278 0.000 1.911) 2.299 11.653 ( 1.507 0.000 3.995) 4.270 11.781 ( 0.194 0.000 0.058) 0.203 13.082 ( 0.971 0.000 -2.844) 3.006 13.107 ( -0.688 -0.000 3.236) 3.308 14.655 ( -0.457 -0.000 3.168) 3.201 14.740 ( -0.598 -0.000 -4.147) 4.190 14.854 ( 0.727 0.000 -1.578) 1.737 14.865 ( 1.547 0.000 -0.687) 1.692 15.291 ( -1.179 -0.000 -12.747) 12.801 15.463 ( -9.149 -0.000 13.864) 16.610 16.167 ( 2.246 0.000 -3.508) 4.166 16.317 ( 2.456 0.000 0.091) 2.458 17.302 ( -0.625 -0.000 -0.032) 0.626 17.346 ( -0.695 -0.000 -0.064) 0.698 20.343 ( 1.284 0.000 -1.577) 2.033 20.417 ( -0.334 -0.000 3.268) 3.285 25.876 ( -9.773 -0.000 -16.134) 18.863 26.214 ( -20.308 -0.000 11.504) 23.340 28.486 ( -0.397 -0.000 0.270) 0.480 28.514 ( -0.454 -0.000 -0.268) 0.528 29.572 ( -0.952 -0.000 0.658) 1.157 29.630 ( -1.625 -0.000 -0.643) 1.748 31.981 ( 4.845 0.000 5.903) 7.637 32.131 ( 5.395 0.000 -6.810) 8.688 32.406 ( 1.371 0.000 2.867) 3.178 32.524 ( -0.343 -0.000 -4.829) 4.842 32.856 ( -2.802 -0.000 1.684) 3.269 32.857 ( -0.732 -0.000 -2.808) 2.902 33.789 ( 12.965 0.000 -15.689) 20.353 33.815 ( 6.120 0.000 22.966) 23.767 ======================= Grid point 243 (110/117) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 10.420 -4.295 -4.998) 12.329 1.128 ( 8.079 -7.852 -0.382) 11.272 1.487 ( 2.670 0.260 6.571) 7.098 1.608 ( 0.875 4.440 -0.452) 4.548 1.748 ( 0.783 2.689 -0.475) 2.841 1.849 ( 11.234 -5.813 -0.567) 12.662 2.058 ( 6.762 -12.381 -0.572) 14.118 2.195 ( 8.645 3.391 -3.492) 9.921 2.211 ( 4.337 -4.379 -2.311) 6.582 2.285 ( 11.886 -0.623 -3.383) 12.374 2.360 ( 5.051 -2.064 3.007) 6.230 2.482 ( 6.367 -2.518 4.290) 8.080 2.589 ( -3.838 -2.732 -6.577) 8.090 2.678 ( 7.625 2.201 -3.302) 8.596 2.817 ( 5.497 -4.088 -0.278) 6.856 3.080 ( -0.038 5.296 0.713) 5.344 3.136 ( -3.216 0.708 2.260) 3.994 3.159 ( -2.477 2.380 5.923) 6.847 3.261 ( 7.445 -1.899 6.048) 9.778 3.372 ( 7.271 -4.852 1.594) 8.886 3.513 ( 0.317 -3.004 5.570) 6.336 3.832 ( -4.193 6.202 1.705) 7.678 3.940 ( 15.373 -1.181 -7.891) 17.320 4.064 ( 1.630 0.064 -0.646) 1.755 4.429 ( -5.028 3.180 -1.906) 6.247 4.489 ( -6.279 -1.393 -7.660) 10.002 4.625 ( 4.611 2.164 1.585) 5.335 4.887 ( -1.410 -3.807 -1.869) 4.469 4.914 ( 5.454 -2.506 0.658) 6.038 5.145 ( -0.531 0.090 -2.002) 2.073 5.366 ( 3.316 0.843 0.164) 3.425 5.422 ( 6.379 -1.146 -3.743) 7.484 5.659 ( -12.232 5.503 11.560) 17.707 5.911 ( -7.278 0.903 2.354) 7.703 6.169 ( -1.339 3.086 -2.355) 4.106 6.282 ( -8.909 -4.476 1.420) 10.071 9.183 ( -1.716 1.517 0.072) 2.291 9.203 ( -2.773 1.180 0.558) 3.065 9.507 ( 0.842 -0.126 0.948) 1.275 9.571 ( -0.397 -0.156 -0.827) 0.931 10.130 ( 2.936 1.987 -6.380) 7.299 10.221 ( -0.876 0.213 1.638) 1.870 11.674 ( 1.406 0.734 4.130) 4.424 11.776 ( -0.090 0.503 -1.121) 1.232 13.088 ( 0.972 -0.549 -1.335) 1.740 13.123 ( -0.732 -1.515 1.576) 2.306 14.667 ( -0.517 -0.578 3.881) 3.957 14.723 ( -0.171 -0.095 -4.743) 4.747 14.851 ( 1.640 0.537 -1.052) 2.021 14.893 ( 0.475 -1.662 -0.408) 1.776 15.240 ( 1.598 2.142 -9.590) 9.956 15.411 ( -8.482 0.447 11.448) 14.255 16.180 ( 3.446 0.647 -2.815) 4.496 16.312 ( 1.290 2.228 -0.394) 2.604 17.310 ( -0.464 -1.274 0.732) 1.541 17.343 ( -0.587 -0.609 -0.598) 1.036 20.370 ( 1.930 -1.767 -1.957) 3.268 20.437 ( -0.856 -1.635 3.320) 3.798 25.754 ( -3.790 1.715 -9.794) 10.640 26.026 ( -15.529 4.015 7.583) 17.741 28.481 ( -0.069 0.323 0.042) 0.333 28.510 ( -0.701 -0.160 -0.016) 0.719 29.568 ( -0.387 -0.095 0.199) 0.445 29.620 ( -1.705 -0.742 -0.201) 1.870 32.019 ( 4.081 2.645 5.684) 7.480 32.151 ( 4.084 1.042 -6.661) 7.883 32.362 ( 1.923 4.353 1.569) 5.011 32.542 ( -2.859 -0.695 -4.238) 5.159 32.803 ( 1.450 0.375 4.391) 4.640 32.927 ( -1.672 -6.514 -1.480) 6.886 33.795 ( 11.380 4.207 -9.294) 15.284 33.994 ( -0.947 -6.112 11.457) 13.020 ======================= Grid point 244 (111/117) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 8.877 -6.261 -3.122) 11.302 1.330 ( 2.668 -7.788 2.314) 8.552 1.504 ( 0.576 1.107 3.561) 3.773 1.548 ( 0.715 3.363 -0.835) 3.538 1.750 ( 2.843 -1.874 4.080) 5.314 1.983 ( 2.857 -0.319 -3.702) 4.687 2.189 ( 10.388 1.603 -1.005) 10.559 2.297 ( 2.196 -1.881 -3.238) 4.341 2.315 ( 1.783 -4.258 -1.510) 4.857 2.421 ( -1.387 -5.694 3.088) 6.624 2.473 ( 10.794 -5.971 -2.090) 12.511 2.517 ( 10.977 4.537 -5.435) 13.062 2.622 ( 8.538 2.089 -2.781) 9.219 2.770 ( -1.166 -8.396 -0.713) 8.507 2.852 ( -4.094 0.218 1.559) 4.386 3.024 ( 3.335 2.171 -1.041) 4.113 3.139 ( -2.153 -3.637 9.116) 10.048 3.196 ( 0.942 -6.056 -1.160) 6.238 3.332 ( 1.039 0.944 3.148) 3.447 3.504 ( 6.187 -1.189 3.548) 7.230 3.587 ( -3.531 -3.743 2.234) 5.610 3.704 ( -1.834 3.090 1.837) 4.036 3.999 ( -0.015 6.188 2.767) 6.779 4.086 ( 12.305 0.029 -5.654) 13.541 4.287 ( -1.776 2.955 -6.393) 7.263 4.478 ( -4.719 -2.726 -3.258) 6.350 4.642 ( 2.152 -0.089 0.536) 2.220 4.892 ( -4.300 0.465 -0.365) 4.341 5.034 ( 4.812 -2.180 2.376) 5.792 5.131 ( -1.256 -0.329 -2.229) 2.580 5.355 ( 1.767 4.924 3.258) 6.163 5.474 ( -0.994 2.582 1.409) 3.104 5.518 ( 1.497 -0.655 -1.738) 2.385 5.822 ( -8.458 1.314 5.039) 9.933 6.110 ( 0.576 2.543 -1.329) 2.927 6.262 ( -8.844 -3.757 -1.454) 9.719 9.141 ( -0.953 1.886 1.406) 2.538 9.163 ( -1.120 1.313 -1.047) 2.019 9.521 ( 0.841 -0.141 1.626) 1.836 9.568 ( -0.401 -0.400 -1.309) 1.426 10.107 ( 3.373 2.236 -4.877) 6.337 10.197 ( -2.571 1.199 2.045) 3.497 11.682 ( 1.335 1.131 3.587) 3.991 11.756 ( -0.476 0.937 -2.033) 2.288 13.113 ( 0.970 -1.523 -0.198) 1.817 13.147 ( -0.768 -1.776 0.287) 1.956 14.684 ( -0.908 -0.668 4.473) 4.613 14.712 ( 0.287 -0.169 -4.548) 4.560 14.864 ( 2.086 -0.171 0.007) 2.093 14.924 ( -0.695 -2.061 -0.169) 2.182 15.203 ( 3.816 1.830 -7.716) 8.800 15.353 ( -7.650 0.526 8.461) 11.419 16.189 ( 3.726 1.657 -2.094) 4.584 16.273 ( 0.200 3.023 -0.044) 3.030 17.333 ( -0.497 -1.376 1.714) 2.253 17.352 ( -0.234 -1.182 -1.526) 1.944 20.421 ( 2.190 -2.540 -2.448) 4.152 20.469 ( -1.557 -2.268 3.202) 4.222 25.686 ( 0.104 1.631 -4.987) 5.248 25.845 ( -9.928 4.269 4.155) 11.578 28.477 ( 0.302 0.241 -0.039) 0.388 28.504 ( -0.987 -0.190 0.078) 1.008 29.572 ( 0.420 -0.389 -0.056) 0.575 29.619 ( -1.746 -1.142 0.065) 2.088 32.013 ( 3.415 3.863 4.198) 6.649 32.125 ( 1.398 3.072 -5.550) 6.496 32.331 ( 2.493 2.859 1.780) 4.190 32.464 ( -3.107 4.013 -2.324) 5.582 32.852 ( 3.884 -0.520 3.788) 5.450 33.032 ( -2.910 -7.189 -1.354) 7.873 33.825 ( 10.136 1.037 -6.324) 11.992 34.078 ( -6.001 -5.442 6.230) 10.219 ======================= Grid point 245 (112/117) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 5.699 -4.106 -2.251) 7.376 1.431 ( -1.420 -2.555 1.811) 3.439 1.491 ( -0.071 0.385 2.930) 2.956 1.514 ( -0.477 0.035 -2.308) 2.357 1.867 ( 2.491 -3.870 8.725) 9.865 1.955 ( -0.187 0.250 -7.565) 7.572 2.261 ( 4.151 0.739 1.057) 4.347 2.292 ( 0.885 2.280 -2.009) 3.165 2.363 ( 4.591 -0.502 -5.860) 7.462 2.423 ( -3.259 0.959 4.443) 5.593 2.527 ( 9.335 1.036 -3.927) 10.181 2.636 ( 3.454 1.776 -1.322) 4.103 2.737 ( 0.914 5.289 2.212) 5.806 2.745 ( 13.489 -6.893 -5.634) 16.162 2.895 ( -2.112 2.832 1.077) 3.693 3.024 ( -9.197 -4.647 7.988) 13.038 3.203 ( -3.364 0.049 -1.568) 3.712 3.245 ( -8.611 -5.739 2.133) 10.566 3.387 ( 8.107 -3.865 3.027) 9.477 3.540 ( -1.300 -0.366 -4.827) 5.013 3.583 ( 2.057 0.101 1.521) 2.561 3.668 ( -3.416 0.985 -2.482) 4.336 3.982 ( 9.387 5.493 10.276) 14.963 4.093 ( 2.451 2.745 -1.413) 3.942 4.302 ( 6.806 0.886 -4.687) 8.311 4.448 ( -8.899 -2.159 -2.419) 9.471 4.683 ( 1.529 -2.906 0.423) 3.311 4.774 ( -7.483 2.207 -0.353) 7.809 5.074 ( 0.421 1.381 1.799) 2.306 5.098 ( -1.275 1.963 -2.144) 3.174 5.317 ( 4.301 2.909 2.245) 5.657 5.409 ( -3.832 1.982 -0.726) 4.375 5.589 ( 9.083 -0.263 -4.871) 10.310 5.740 ( -9.022 0.412 6.183) 10.945 6.112 ( 3.773 -0.788 3.339) 5.100 6.241 ( -6.977 -4.109 -4.898) 9.463 9.114 ( 0.177 1.293 0.977) 1.630 9.129 ( -0.770 1.118 -0.900) 1.629 9.540 ( 1.138 -0.422 1.638) 2.039 9.569 ( -0.758 -0.728 -1.331) 1.696 10.091 ( 3.979 2.203 -4.370) 6.307 10.148 ( -3.933 1.675 3.298) 5.399 11.685 ( 1.261 1.124 3.186) 3.606 11.725 ( -0.881 1.072 -2.665) 3.005 13.152 ( 0.783 -1.841 0.544) 2.073 13.169 ( -0.611 -1.651 -0.534) 1.839 14.695 ( -0.851 -0.213 3.412) 3.523 14.705 ( 0.229 -0.136 -3.475) 3.485 14.897 ( 1.785 -0.975 1.672) 2.633 14.938 ( -1.460 -1.050 -1.594) 2.403 15.216 ( 5.641 -0.374 -5.542) 7.916 15.304 ( -6.732 -0.705 6.138) 9.137 16.180 ( 3.024 2.778 -1.569) 4.396 16.215 ( -0.944 3.434 0.598) 3.611 17.356 ( -0.309 -1.157 2.012) 2.342 17.366 ( -0.016 -1.105 -1.942) 2.234 20.477 ( 2.087 -2.348 -2.834) 4.231 20.499 ( -1.865 -2.004 3.051) 4.099 25.666 ( 1.874 0.665 -1.880) 2.737 25.726 ( -5.133 2.017 1.670) 5.762 28.480 ( 0.741 -0.130 -0.122) 0.762 28.498 ( -1.145 -0.323 0.145) 1.199 29.591 ( 1.345 -0.848 -0.066) 1.591 29.622 ( -1.839 -1.190 0.080) 2.192 31.986 ( 2.827 3.979 3.175) 5.823 32.049 ( -1.111 3.955 -4.167) 5.852 32.303 ( 2.119 4.138 1.155) 4.790 32.350 ( -2.243 5.717 -0.297) 6.148 32.911 ( 6.182 0.599 3.457) 7.108 33.057 ( -6.049 -1.723 -4.238) 7.585 33.942 ( 9.165 -4.452 2.289) 10.443 34.119 ( -7.675 -6.548 -1.291) 10.171 ======================= Grid point 246 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 1.186 0.651 -0.697) 1.522 1.427 ( -1.186 0.651 0.697) 1.522 1.527 ( 0.111 -2.217 -0.635) 2.308 1.527 ( -0.111 -2.217 0.635) 2.308 1.949 ( 0.230 -1.869 -11.915) 12.063 1.949 ( -0.230 -1.869 11.915) 12.063 2.230 ( 2.674 4.566 -2.079) 5.685 2.230 ( -2.674 4.566 2.079) 5.685 2.384 ( 2.361 1.673 -4.490) 5.342 2.384 ( -2.361 1.673 4.490) 5.342 2.618 ( 12.487 -0.421 -10.338) 16.217 2.618 ( -12.487 -0.421 10.338) 16.217 2.696 ( -13.225 7.756 -1.311) 15.388 2.696 ( 13.225 7.756 1.311) 15.388 2.942 ( 12.781 -2.351 -7.375) 14.943 2.942 ( -12.781 -2.351 7.375) 14.943 3.225 ( -5.583 1.054 -0.494) 5.703 3.225 ( 5.583 1.054 0.494) 5.703 3.508 ( -3.803 -0.379 -5.524) 6.717 3.508 ( 3.803 -0.379 5.524) 6.717 3.641 ( -2.850 -2.849 -3.041) 5.048 3.641 ( 2.850 -2.849 3.041) 5.048 3.934 ( -8.764 12.269 -3.291) 15.433 3.934 ( 8.764 12.269 3.291) 15.433 4.371 ( -9.235 -1.037 -0.606) 9.312 4.371 ( 9.235 -1.037 0.606) 9.312 4.776 ( -1.820 -4.345 -2.636) 5.398 4.776 ( 1.820 -4.345 2.636) 5.398 5.034 ( -0.847 2.838 -6.095) 6.777 5.034 ( 0.847 2.838 6.095) 6.777 5.331 ( -3.868 1.009 -0.878) 4.093 5.331 ( 3.868 1.009 0.878) 4.093 5.667 ( 8.946 -0.307 -5.603) 10.561 5.667 ( -8.946 -0.307 5.603) 10.561 6.233 ( -6.506 -4.733 -8.319) 11.573 6.233 ( 6.506 -4.733 8.319) 11.573 9.107 ( -0.792 0.278 -0.362) 0.914 9.107 ( 0.792 0.278 0.362) 0.914 9.569 ( 0.170 -0.962 -3.649) 3.778 9.569 ( -0.170 -0.962 3.649) 3.778 10.085 ( 3.804 1.938 -6.020) 7.380 10.085 ( -3.804 1.938 6.020) 7.380 11.689 ( -0.185 0.905 -4.411) 4.506 11.689 ( 0.185 0.905 4.411) 4.506 13.188 ( -0.019 -1.310 -1.391) 1.911 13.188 ( 0.019 -1.310 1.391) 1.911 14.699 ( 0.673 0.005 -2.876) 2.954 14.699 ( -0.673 0.005 2.876) 2.954 14.932 ( 0.284 -0.566 -4.442) 4.487 14.932 ( -0.284 -0.566 4.442) 4.487 15.284 ( 3.767 -2.253 -8.242) 9.338 15.284 ( -3.767 -2.253 8.242) 9.338 16.146 ( 1.061 3.314 -2.310) 4.177 16.146 ( -1.061 3.314 2.310) 4.177 17.377 ( 0.307 -0.813 -2.116) 2.288 17.377 ( -0.307 -0.813 2.116) 2.288 20.519 ( 1.682 -1.283 -3.860) 4.402 20.519 ( -1.682 -1.283 3.860) 4.402 25.690 ( -1.601 -1.574 -0.832) 2.394 25.690 ( 1.601 -1.574 0.832) 2.394 28.495 ( -0.796 -0.481 0.075) 0.933 28.495 ( 0.796 -0.481 -0.075) 0.933 29.624 ( -1.838 -1.076 0.040) 2.130 29.624 ( 1.838 -1.076 -0.040) 2.130 31.956 ( -1.737 3.477 -3.340) 5.125 31.956 ( 1.737 3.477 3.340) 5.125 32.229 ( 0.301 6.427 -0.527) 6.455 32.229 ( -0.301 6.427 0.527) 6.455 32.974 ( -6.376 1.148 -5.308) 8.375 32.974 ( 6.376 1.148 5.308) 8.375 34.139 ( -7.625 -6.038 -8.371) 12.833 34.139 ( 7.625 -6.038 8.371) 12.833 ======================= Grid point 254 (114/117) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 10.902 0.000 -8.338) 13.725 1.144 ( 5.804 0.000 8.889) 10.616 1.548 ( 3.494 0.000 5.197) 6.262 1.654 ( -0.991 -0.000 -0.801) 1.274 1.774 ( 0.063 0.000 2.174) 2.175 1.917 ( 10.279 0.000 -0.860) 10.315 1.983 ( 6.132 0.000 1.933) 6.430 2.165 ( 1.006 0.000 -2.753) 2.931 2.279 ( 5.793 0.000 -16.560) 17.544 2.352 ( 0.854 0.000 1.193) 1.467 2.413 ( 6.661 0.000 7.556) 10.073 2.476 ( 4.602 0.000 -3.726) 5.921 2.626 ( 13.409 0.000 -4.879) 14.269 2.734 ( -0.086 -0.000 -5.225) 5.225 2.840 ( 5.005 0.000 0.665) 5.049 3.071 ( -4.898 -0.000 2.488) 5.494 3.094 ( -7.217 -0.000 10.074) 12.392 3.253 ( 0.372 0.000 3.123) 3.145 3.350 ( 8.202 0.000 5.178) 9.699 3.364 ( 6.679 0.000 2.401) 7.097 3.517 ( 1.104 0.000 6.263) 6.359 3.821 ( -7.418 -0.000 -2.477) 7.820 4.063 ( 15.177 0.000 -6.983) 16.707 4.091 ( 1.712 0.000 2.249) 2.826 4.347 ( -10.642 -0.000 -11.686) 15.805 4.417 ( -3.134 -0.000 -0.391) 3.158 4.734 ( 4.898 0.000 3.958) 6.297 4.797 ( -1.289 -0.000 -4.672) 4.847 4.958 ( 6.454 0.000 3.976) 7.580 5.143 ( -0.395 -0.000 -1.999) 2.038 5.381 ( 2.705 0.000 -2.623) 3.768 5.482 ( 9.535 0.000 -3.361) 10.111 5.634 ( -12.362 -0.000 9.920) 15.850 5.841 ( -9.309 -0.000 2.077) 9.538 6.165 ( -6.098 -0.000 7.177) 9.418 6.188 ( -1.400 -0.000 -6.905) 7.045 9.182 ( -0.788 -0.000 -1.273) 1.497 9.190 ( -2.542 -0.000 1.818) 3.125 9.518 ( 0.927 0.000 1.050) 1.401 9.562 ( -0.560 -0.000 -0.981) 1.130 10.156 ( 3.605 0.000 -8.522) 9.253 10.217 ( -2.450 -0.000 4.602) 5.213 11.706 ( 1.073 0.000 4.716) 4.836 11.774 ( -0.187 -0.000 -2.280) 2.288 13.088 ( 1.267 0.000 -2.511) 2.812 13.108 ( -1.050 -0.000 2.649) 2.850 14.670 ( -0.260 -0.000 3.811) 3.819 14.707 ( 0.189 0.000 -4.735) 4.738 14.863 ( 1.185 0.000 -1.557) 1.957 14.885 ( 0.485 0.000 -0.040) 0.487 15.256 ( 2.828 0.000 -7.491) 8.008 15.368 ( -7.772 -0.000 10.038) 12.696 16.216 ( 4.012 0.000 -1.625) 4.329 16.330 ( -0.685 -0.000 -0.958) 1.178 17.299 ( 0.150 0.000 0.581) 0.600 17.330 ( -0.792 -0.000 -0.418) 0.896 20.370 ( 2.389 0.000 -1.879) 3.040 20.422 ( -1.191 -0.000 2.841) 3.081 25.723 ( -0.099 -0.000 -6.794) 6.795 25.935 ( -13.533 -0.000 5.589) 14.642 28.484 ( 0.209 0.000 -0.227) 0.309 28.502 ( -0.699 -0.000 0.259) 0.745 29.565 ( 0.089 0.000 -0.192) 0.211 29.597 ( -1.573 -0.000 0.164) 1.582 32.099 ( 2.719 0.000 7.751) 8.214 32.176 ( 3.650 0.000 -8.024) 8.815 32.436 ( -0.159 -0.000 3.818) 3.821 32.486 ( -0.465 -0.000 -4.706) 4.729 32.822 ( -1.985 -0.000 2.933) 3.542 32.829 ( -0.161 -0.000 -3.249) 3.253 33.916 ( 9.198 0.000 -13.221) 16.106 33.971 ( -1.058 -0.000 15.465) 15.501 ======================= Grid point 255 (115/117) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 7.893 -4.160 -4.999) 10.227 1.249 ( 0.079 -4.841 5.968) 7.685 1.567 ( 2.362 2.513 2.962) 4.546 1.607 ( -0.685 3.179 -0.896) 3.373 1.797 ( 5.132 0.600 7.082) 8.766 1.960 ( -2.313 -0.805 -6.813) 7.240 2.169 ( 5.123 -11.331 1.861) 12.574 2.232 ( 1.747 -4.888 -0.138) 5.193 2.299 ( 3.217 -3.172 -8.205) 9.367 2.345 ( -1.619 -0.172 0.648) 1.753 2.494 ( 4.083 -1.537 6.056) 7.464 2.557 ( 5.330 -3.019 -8.152) 10.197 2.680 ( 1.384 0.649 -2.377) 2.826 2.753 ( 9.353 1.916 -4.904) 10.733 2.823 ( -0.634 0.020 -1.743) 1.855 3.026 ( -11.386 -2.083 9.378) 14.897 3.142 ( 5.846 -1.256 -0.393) 5.993 3.183 ( 0.337 5.688 5.874) 8.184 3.404 ( 4.556 1.408 1.492) 4.997 3.483 ( -1.476 -4.442 1.033) 4.793 3.564 ( 4.488 -0.462 7.127) 8.435 3.712 ( -6.315 2.132 -3.425) 7.493 4.073 ( -0.172 2.776 4.562) 5.343 4.168 ( 1.950 0.547 -8.974) 9.199 4.249 ( 4.630 -1.463 -6.950) 8.479 4.399 ( -5.547 -2.011 0.941) 5.975 4.730 ( 5.450 3.305 1.494) 6.546 4.830 ( -3.078 -2.030 -0.808) 3.775 5.049 ( 4.236 -1.966 3.721) 5.971 5.117 ( -1.135 0.632 -2.847) 3.129 5.411 ( 3.405 0.162 -2.938) 4.500 5.497 ( -8.851 4.601 6.294) 11.795 5.573 ( 10.199 -0.485 -3.698) 10.860 5.754 ( -10.299 -0.064 3.693) 10.941 6.133 ( -1.763 0.809 2.706) 3.329 6.159 ( -2.770 -0.665 -3.219) 4.299 9.163 ( -0.651 1.114 0.835) 1.537 9.169 ( -0.799 0.793 -0.574) 1.264 9.531 ( 0.815 -0.159 1.510) 1.723 9.555 ( -0.613 -0.183 -1.406) 1.545 10.157 ( 3.879 1.303 -6.665) 7.821 10.196 ( -3.420 0.872 4.737) 5.908 11.722 ( 0.921 0.778 4.152) 4.323 11.758 ( -0.474 0.640 -3.027) 3.130 13.101 ( 1.173 -0.872 -1.371) 2.004 13.115 ( -1.055 -1.159 1.417) 2.113 14.682 ( -0.502 -0.337 4.370) 4.412 14.699 ( 0.524 -0.233 -4.633) 4.669 14.875 ( 1.559 -0.428 -1.244) 2.040 14.893 ( -0.672 -0.885 0.619) 1.273 15.252 ( 4.306 1.574 -6.697) 8.116 15.318 ( -6.734 0.787 7.802) 10.336 16.244 ( 3.774 0.907 -0.764) 3.956 16.301 ( -1.858 1.411 -0.538) 2.394 17.314 ( 0.225 -1.025 0.956) 1.420 17.327 ( -0.562 -0.787 -0.835) 1.278 20.401 ( 2.382 -1.527 -2.154) 3.556 20.429 ( -1.785 -1.465 2.609) 3.485 25.712 ( 3.289 1.173 -4.247) 5.498 25.815 ( -9.488 2.048 3.803) 10.425 28.485 ( 0.492 0.226 -0.275) 0.607 28.496 ( -0.783 0.066 0.300) 0.841 29.570 ( 0.684 -0.305 -0.389) 0.844 29.589 ( -1.439 -0.598 0.374) 1.603 32.116 ( 1.887 2.828 6.526) 7.358 32.164 ( 1.217 2.025 -6.813) 7.211 32.408 ( 1.696 2.891 2.663) 4.280 32.466 ( -2.410 1.222 -3.568) 4.476 32.847 ( 1.174 -3.631 2.596) 4.616 32.886 ( -1.590 -6.139 -1.602) 6.541 33.929 ( 8.025 2.484 -8.561) 11.994 34.001 ( -4.585 -0.835 9.015) 10.149 ======================= Grid point 256 (116/117) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 3.412 -5.548 -4.330) 7.821 1.328 ( -3.412 -5.548 4.330) 7.821 1.539 ( -0.873 3.079 -1.585) 3.571 1.539 ( 0.873 3.079 1.585) 3.571 1.895 ( -4.958 -1.108 -10.287) 11.473 1.895 ( 4.958 -1.108 10.287) 11.473 2.303 ( -1.578 -0.448 -1.200) 2.033 2.303 ( 1.578 -0.448 1.200) 2.033 2.372 ( 5.604 -3.179 -5.681) 8.590 2.372 ( -5.604 -3.179 5.681) 8.590 2.577 ( -4.149 -1.883 -5.171) 6.892 2.577 ( 4.149 -1.883 5.171) 6.892 2.751 ( -7.418 -4.660 -0.267) 8.765 2.751 ( 7.418 -4.660 0.267) 8.765 2.941 ( 16.904 -0.763 -9.916) 19.613 2.941 ( -16.904 -0.763 9.916) 19.613 3.145 ( -3.387 0.742 -0.917) 3.586 3.145 ( 3.387 0.742 0.917) 3.586 3.461 ( -8.623 -0.330 -1.767) 8.809 3.461 ( 8.623 -0.330 1.767) 8.809 3.634 ( -3.928 0.253 -4.864) 6.258 3.634 ( 3.928 0.253 4.864) 6.258 4.092 ( -4.077 0.116 -11.529) 12.229 4.092 ( 4.077 0.116 11.529) 12.229 4.362 ( -8.131 -1.102 1.687) 8.377 4.362 ( 8.131 -1.102 -1.687) 8.377 4.746 ( -7.446 3.458 -1.577) 8.360 4.746 ( 7.446 3.458 1.577) 8.360 5.098 ( -0.881 -0.016 -2.140) 2.314 5.098 ( 0.881 -0.016 2.140) 2.314 5.404 ( -0.346 2.188 -3.833) 4.427 5.404 ( 0.346 2.188 3.833) 4.427 5.667 ( 10.043 -0.060 -4.939) 11.192 5.667 ( -10.043 -0.060 4.939) 11.192 6.138 ( -0.142 -0.781 -5.584) 5.640 6.138 ( 0.142 -0.781 5.584) 5.640 9.142 ( -0.175 1.353 -1.340) 1.912 9.142 ( 0.175 1.353 1.340) 1.912 9.548 ( 0.040 -0.336 -2.891) 2.911 9.548 ( -0.040 -0.336 2.891) 2.911 10.151 ( 3.514 1.758 -7.010) 8.036 10.151 ( -3.514 1.758 7.010) 8.036 11.726 ( -0.374 1.111 -4.155) 4.317 11.726 ( 0.374 1.111 4.155) 4.317 13.132 ( 0.515 -1.656 -1.868) 2.549 13.132 ( -0.515 -1.656 1.868) 2.549 14.696 ( 0.752 -0.261 -4.676) 4.743 14.696 ( -0.752 -0.261 4.676) 4.743 14.901 ( 0.076 -1.041 -1.449) 1.786 14.901 ( -0.076 -1.041 1.449) 1.786 15.260 ( 6.142 0.866 -6.464) 8.959 15.260 ( -6.142 0.866 6.464) 8.959 16.248 ( -0.707 2.244 -0.669) 2.446 16.248 ( 0.707 2.244 0.669) 2.446 17.339 ( 0.000 -1.277 -1.732) 2.152 17.339 ( -0.000 -1.277 1.732) 2.152 20.450 ( 2.129 -2.270 -2.666) 4.098 20.450 ( -2.129 -2.270 2.666) 4.098 25.717 ( 4.848 2.033 -2.685) 5.903 25.717 ( -4.848 2.033 2.685) 5.903 28.487 ( -0.073 0.064 -0.341) 0.355 28.487 ( 0.073 0.064 0.341) 0.355 29.589 ( -0.548 -0.840 -0.233) 1.030 29.589 ( 0.548 -0.840 0.233) 1.030 32.091 ( -0.515 3.920 -6.524) 7.628 32.091 ( 0.515 3.920 6.524) 7.628 32.392 ( -1.541 2.990 -3.744) 5.033 32.392 ( 1.541 2.990 3.744) 5.033 32.949 ( -1.969 -3.847 -5.085) 6.673 32.949 ( 1.969 -3.847 5.085) 6.673 33.973 ( 5.769 -1.551 -4.554) 7.512 33.973 ( -5.769 -1.551 4.554) 7.512 ======================= Grid point 267 (117/117) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.10e-05 6.10e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 4.886 0.000 -6.875) 8.434 1.203 ( -4.886 -0.000 6.875) 8.434 1.619 ( -1.773 -0.000 -2.118) 2.762 1.619 ( 1.773 0.000 2.118) 2.762 1.888 ( -6.079 -0.000 -8.451) 10.410 1.888 ( 6.079 0.000 8.451) 10.410 2.124 ( -5.415 -0.000 -5.580) 7.775 2.124 ( 5.415 0.000 5.580) 7.775 2.302 ( -5.849 -0.000 1.834) 6.130 2.302 ( 5.849 0.000 -1.834) 6.130 2.549 ( 0.507 0.000 -11.454) 11.465 2.549 ( -0.507 -0.000 11.454) 11.465 2.721 ( -8.409 -0.000 -0.098) 8.409 2.721 ( 8.409 0.000 0.098) 8.409 2.913 ( 15.467 0.000 -11.751) 19.425 2.913 ( -15.467 -0.000 11.751) 19.425 3.207 ( -7.463 -0.000 -0.199) 7.465 3.207 ( 7.463 0.000 0.199) 7.465 3.445 ( 0.197 0.000 -1.765) 1.776 3.445 ( -0.197 -0.000 1.765) 1.776 3.639 ( -7.438 -0.000 -7.095) 10.279 3.639 ( 7.438 0.000 7.095) 10.279 4.124 ( -1.590 -0.000 -10.441) 10.562 4.124 ( 1.590 0.000 10.441) 10.562 4.308 ( -9.661 -0.000 2.654) 10.019 4.308 ( 9.661 0.000 -2.654) 10.019 4.793 ( 1.035 0.000 -3.470) 3.621 4.793 ( -1.035 -0.000 3.470) 3.621 5.087 ( -3.843 -0.000 -3.912) 5.484 5.087 ( 3.843 0.000 3.912) 5.484 5.465 ( 8.457 0.000 -5.040) 9.845 5.465 ( -8.457 -0.000 5.040) 9.845 5.659 ( -10.505 -0.000 3.192) 10.979 5.659 ( 10.505 0.000 -3.192) 10.979 6.137 ( 1.224 0.000 -7.350) 7.451 6.137 ( -1.224 -0.000 7.350) 7.451 9.171 ( 0.542 0.000 -1.493) 1.589 9.171 ( -0.542 -0.000 1.493) 1.589 9.542 ( -0.775 -0.000 -1.363) 1.568 9.542 ( 0.775 0.000 1.363) 1.568 10.185 ( 4.053 0.000 -7.007) 8.095 10.185 ( -4.053 -0.000 7.007) 8.095 11.748 ( -0.534 -0.000 -3.931) 3.967 11.748 ( 0.534 0.000 3.931) 3.967 13.099 ( 1.296 0.000 -2.374) 2.705 13.099 ( -1.296 -0.000 2.374) 2.705 14.688 ( 0.392 0.000 -4.124) 4.143 14.688 ( -0.392 -0.000 4.124) 4.143 14.880 ( 1.109 0.000 -0.874) 1.412 14.880 ( -1.109 -0.000 0.874) 1.412 15.291 ( 5.174 0.000 -7.095) 8.782 15.291 ( -5.174 -0.000 7.095) 8.782 16.286 ( -3.181 -0.000 -0.325) 3.197 16.286 ( 3.181 0.000 0.325) 3.197 17.312 ( -0.652 -0.000 -0.642) 0.915 17.312 ( 0.652 0.000 0.642) 0.915 20.404 ( 2.173 0.000 -2.229) 3.113 20.404 ( -2.173 -0.000 2.229) 3.113 25.762 ( 6.896 0.000 -3.690) 7.821 25.762 ( -6.896 -0.000 3.690) 7.821 28.491 ( 0.641 0.000 -0.440) 0.778 28.491 ( -0.641 -0.000 0.440) 0.778 29.574 ( 1.004 0.000 -0.561) 1.150 29.574 ( -1.004 -0.000 0.561) 1.150 32.170 ( 0.617 0.000 -8.468) 8.490 32.170 ( -0.617 -0.000 8.468) 8.490 32.455 ( 0.115 0.000 -4.169) 4.170 32.455 ( -0.115 -0.000 4.169) 4.170 32.815 ( 0.805 0.000 -3.440) 3.533 32.815 ( -0.805 -0.000 3.440) 3.533 33.985 ( 5.626 0.000 -12.582) 13.782 33.985 ( -5.626 -0.000 12.582) 13.782 =================== 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 3/28800 10.0 37.945 49.294 40.167 -0.000 -6.546 0.000 3/28800 20.0 7.879 9.531 6.527 -0.000 -1.149 0.000 3/28800 30.0 4.229 4.779 3.154 -0.000 -0.529 0.000 3/28800 40.0 2.988 3.196 2.131 -0.000 -0.365 0.000 3/28800 50.0 2.357 2.417 1.654 -0.000 -0.292 0.000 3/28800 60.0 1.967 1.955 1.377 -0.000 -0.249 0.000 3/28800 70.0 1.698 1.649 1.193 -0.000 -0.219 0.000 3/28800 80.0 1.499 1.430 1.061 -0.000 -0.196 0.000 3/28800 90.0 1.345 1.265 0.961 -0.000 -0.178 0.000 3/28800 100.0 1.223 1.137 0.884 -0.000 -0.163 0.000 3/28800 110.0 1.122 1.034 0.823 -0.000 -0.151 0.000 3/28800 120.0 1.039 0.950 0.775 -0.000 -0.141 0.000 3/28800 130.0 0.968 0.880 0.735 -0.000 -0.133 0.000 3/28800 140.0 0.908 0.821 0.702 -0.000 -0.126 0.000 3/28800 150.0 0.856 0.771 0.675 -0.000 -0.119 0.000 3/28800 160.0 0.811 0.727 0.651 -0.000 -0.114 0.000 3/28800 170.0 0.771 0.689 0.631 -0.000 -0.109 0.000 3/28800 180.0 0.736 0.656 0.613 -0.000 -0.105 0.000 3/28800 190.0 0.705 0.627 0.598 -0.000 -0.101 0.000 3/28800 200.0 0.677 0.601 0.584 -0.000 -0.097 0.000 3/28800 210.0 0.652 0.578 0.571 -0.000 -0.093 0.000 3/28800 220.0 0.629 0.557 0.559 -0.000 -0.090 0.000 3/28800 230.0 0.608 0.538 0.548 -0.000 -0.087 0.000 3/28800 240.0 0.590 0.522 0.538 -0.000 -0.084 0.000 3/28800 250.0 0.572 0.506 0.529 -0.000 -0.081 0.000 3/28800 260.0 0.556 0.492 0.520 -0.000 -0.079 0.000 3/28800 270.0 0.542 0.480 0.512 -0.000 -0.076 0.000 3/28800 280.0 0.528 0.468 0.504 -0.000 -0.074 0.000 3/28800 290.0 0.515 0.457 0.497 -0.000 -0.072 0.000 3/28800 300.0 0.503 0.447 0.490 -0.000 -0.069 0.000 3/28800 310.0 0.492 0.437 0.483 -0.000 -0.067 0.000 3/28800 320.0 0.482 0.428 0.476 -0.000 -0.065 0.000 3/28800 330.0 0.472 0.420 0.470 -0.000 -0.064 0.000 3/28800 340.0 0.462 0.412 0.464 -0.000 -0.062 0.000 3/28800 350.0 0.453 0.405 0.458 -0.000 -0.060 0.000 3/28800 360.0 0.445 0.398 0.452 -0.000 -0.058 0.000 3/28800 370.0 0.436 0.391 0.446 -0.000 -0.057 0.000 3/28800 380.0 0.429 0.384 0.441 -0.000 -0.055 0.000 3/28800 390.0 0.421 0.378 0.435 -0.000 -0.054 0.000 3/28800 400.0 0.414 0.372 0.430 -0.000 -0.052 0.000 3/28800 410.0 0.407 0.366 0.425 -0.000 -0.051 0.000 3/28800 420.0 0.400 0.361 0.420 -0.000 -0.050 0.000 3/28800 430.0 0.394 0.356 0.415 -0.000 -0.049 0.000 3/28800 440.0 0.388 0.350 0.410 -0.000 -0.047 0.000 3/28800 450.0 0.381 0.345 0.405 -0.000 -0.046 0.000 3/28800 460.0 0.376 0.340 0.400 -0.000 -0.045 0.000 3/28800 470.0 0.370 0.336 0.396 -0.000 -0.044 0.000 3/28800 480.0 0.364 0.331 0.391 -0.000 -0.043 0.000 3/28800 490.0 0.359 0.327 0.387 -0.000 -0.042 0.000 3/28800 500.0 0.354 0.322 0.382 -0.000 -0.041 0.000 3/28800 510.0 0.349 0.318 0.378 -0.000 -0.040 0.000 3/28800 520.0 0.344 0.314 0.373 -0.000 -0.040 0.000 3/28800 530.0 0.339 0.310 0.369 -0.000 -0.039 0.000 3/28800 540.0 0.335 0.306 0.365 -0.000 -0.038 0.000 3/28800 550.0 0.330 0.302 0.361 -0.000 -0.037 0.000 3/28800 560.0 0.326 0.298 0.357 -0.000 -0.037 0.000 3/28800 570.0 0.321 0.295 0.353 -0.000 -0.036 0.000 3/28800 580.0 0.317 0.291 0.349 -0.000 -0.035 0.000 3/28800 590.0 0.313 0.287 0.345 -0.000 -0.035 0.000 3/28800 600.0 0.309 0.284 0.341 -0.000 -0.034 0.000 3/28800 610.0 0.305 0.281 0.338 -0.000 -0.033 0.000 3/28800 620.0 0.301 0.277 0.334 -0.000 -0.033 0.000 3/28800 630.0 0.297 0.274 0.330 -0.000 -0.032 0.000 3/28800 640.0 0.294 0.271 0.327 -0.000 -0.032 0.000 3/28800 650.0 0.290 0.268 0.323 -0.000 -0.031 0.000 3/28800 660.0 0.287 0.265 0.320 -0.000 -0.030 0.000 3/28800 670.0 0.283 0.262 0.317 -0.000 -0.030 0.000 3/28800 680.0 0.280 0.259 0.313 -0.000 -0.029 0.000 3/28800 690.0 0.277 0.256 0.310 -0.000 -0.029 0.000 3/28800 700.0 0.274 0.253 0.307 -0.000 -0.029 0.000 3/28800 710.0 0.270 0.250 0.304 -0.000 -0.028 0.000 3/28800 720.0 0.267 0.248 0.301 -0.000 -0.028 0.000 3/28800 730.0 0.264 0.245 0.298 -0.000 -0.027 0.000 3/28800 740.0 0.261 0.243 0.295 -0.000 -0.027 0.000 3/28800 750.0 0.259 0.240 0.292 -0.000 -0.026 0.000 3/28800 760.0 0.256 0.237 0.289 -0.000 -0.026 0.000 3/28800 770.0 0.253 0.235 0.286 -0.000 -0.026 0.000 3/28800 780.0 0.250 0.233 0.283 -0.000 -0.025 0.000 3/28800 790.0 0.248 0.230 0.280 -0.000 -0.025 0.000 3/28800 800.0 0.245 0.228 0.278 -0.000 -0.025 0.000 3/28800 810.0 0.242 0.226 0.275 -0.000 -0.024 0.000 3/28800 820.0 0.240 0.223 0.272 -0.000 -0.024 0.000 3/28800 830.0 0.237 0.221 0.270 -0.000 -0.024 0.000 3/28800 840.0 0.235 0.219 0.267 -0.000 -0.023 0.000 3/28800 850.0 0.233 0.217 0.265 -0.000 -0.023 0.000 3/28800 860.0 0.230 0.215 0.262 -0.000 -0.023 0.000 3/28800 870.0 0.228 0.213 0.260 -0.000 -0.023 0.000 3/28800 880.0 0.226 0.211 0.258 -0.000 -0.022 0.000 3/28800 890.0 0.224 0.209 0.255 -0.000 -0.022 0.000 3/28800 900.0 0.221 0.207 0.253 -0.000 -0.022 0.000 3/28800 910.0 0.219 0.205 0.251 -0.000 -0.021 0.000 3/28800 920.0 0.217 0.203 0.248 -0.000 -0.021 0.000 3/28800 930.0 0.215 0.201 0.246 -0.000 -0.021 0.000 3/28800 940.0 0.213 0.199 0.244 -0.000 -0.021 0.000 3/28800 950.0 0.211 0.198 0.242 -0.000 -0.020 0.000 3/28800 960.0 0.209 0.196 0.240 -0.000 -0.020 0.000 3/28800 970.0 0.207 0.194 0.238 -0.000 -0.020 0.000 3/28800 980.0 0.206 0.192 0.236 -0.000 -0.020 0.000 3/28800 990.0 0.204 0.191 0.234 -0.000 -0.020 0.000 3/28800 1000.0 0.202 0.189 0.232 -0.000 -0.019 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:36:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|