----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:24:33]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889531180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.678159680000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *5 O 0.66591265987459 0.54248958484648 0.77911626498925 15.999 6 O 0.33408734012541 0.45751041515352 0.22088373501075 15.999 7 O 0.16591265987459 0.54248958484648 0.72088373501075 15.999 8 O 0.66591265987459 0.95751041515352 0.77911626498925 15.999 9 O 0.83408734012541 0.04248958484648 0.27911626498925 15.999 *10 O 0.90027910136081 0.25000000000000 0.74469914240893 15.999 11 O 0.83408734012541 0.45751041515352 0.27911626498925 15.999 12 O 0.33408734012541 0.04248958484648 0.22088373501075 15.999 13 O 0.09972089863920 0.75000000000000 0.25530085759107 15.999 14 O 0.40027910136081 0.25000000000000 0.75530085759107 15.999 *15 O 0.45163705124431 0.75000000000000 0.79792243276741 15.999 16 O 0.59972089863919 0.75000000000000 0.24469914240893 15.999 17 O 0.95163705124431 0.75000000000000 0.70207756723259 15.999 18 O 0.04836294875569 0.25000000000000 0.29792243276741 15.999 19 O 0.54836294875569 0.25000000000000 0.20207756723259 15.999 20 O 0.16591265987459 0.95751041515352 0.72088373501075 15.999 *21 Mg 0.27721362218635 0.75000000000000 0.01724286401804 24.305 22 Mg 0.72278637781365 0.25000000000000 0.98275713598196 24.305 23 Mg 0.77721362218635 0.75000000000000 0.48275713598196 24.305 24 Mg 0.22278637781365 0.25000000000000 0.51724286401804 24.305 *25 P 0.40605362068567 0.25000000000000 0.08249740030742 30.974 26 P 0.90605362068567 0.25000000000000 0.41750259969258 30.974 27 P 0.59394637931433 0.75000000000000 0.91750259969258 30.974 28 P 0.09394637931433 0.75000000000000 0.58249740030742 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889531180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.678159680000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 4 *5 O 0.66591265987459 0.54248958484648 0.77911626498925 15.999 > 5 6 O 0.33408734012541 0.45751041515352 0.22088373501075 15.999 > 6 7 O 0.16591265987459 0.54248958484648 0.72088373501075 15.999 > 7 8 O 0.66591265987459 0.95751041515352 0.77911626498925 15.999 > 8 9 O 0.83408734012541 0.04248958484648 0.27911626498925 15.999 > 9 *10 O 0.90027910136081 0.25000000000000 0.74469914240893 15.999 > 10 11 O 0.83408734012541 0.45751041515352 0.27911626498925 15.999 > 11 12 O 0.33408734012541 0.04248958484648 0.22088373501075 15.999 > 12 13 O 0.09972089863920 0.75000000000000 0.25530085759107 15.999 > 13 14 O 0.40027910136081 0.25000000000000 0.75530085759107 15.999 > 14 *15 O 0.45163705124431 0.75000000000000 0.79792243276741 15.999 > 15 16 O 0.59972089863919 0.75000000000000 0.24469914240893 15.999 > 16 17 O 0.95163705124431 0.75000000000000 0.70207756723259 15.999 > 17 18 O 0.04836294875569 0.25000000000000 0.29792243276741 15.999 > 18 19 O 0.54836294875569 0.25000000000000 0.20207756723259 15.999 > 19 20 O 0.16591265987459 0.95751041515352 0.72088373501075 15.999 > 20 *21 Mg 0.27721362218635 0.75000000000000 0.01724286401804 24.305 > 21 22 Mg 0.72278637781365 0.25000000000000 0.98275713598196 24.305 > 22 23 Mg 0.77721362218635 0.75000000000000 0.48275713598196 24.305 > 23 24 Mg 0.22278637781365 0.25000000000000 0.51724286401804 24.305 > 24 *25 P 0.40605362068567 0.25000000000000 0.08249740030742 30.974 > 25 26 P 0.90605362068567 0.25000000000000 0.41750259969258 30.974 > 26 27 P 0.59394637931433 0.75000000000000 0.91750259969258 30.974 > 27 28 P 0.09394637931433 0.75000000000000 0.58249740030742 30.974 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.779062359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.356319360000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 2 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 3 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 3 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 3 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 3 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 4 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 4 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 4 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 4 *17 O 0.66591265987459 0.27124479242324 0.38955813249463 15.999 > 5 18 O 0.66591265987459 0.77124479242324 0.38955813249463 15.999 > 5 19 O 0.66591265987459 0.27124479242324 0.88955813249463 15.999 > 5 20 O 0.66591265987459 0.77124479242324 0.88955813249463 15.999 > 5 21 O 0.33408734012541 0.22875520757676 0.11044186750537 15.999 > 6 22 O 0.33408734012541 0.72875520757676 0.11044186750537 15.999 > 6 23 O 0.33408734012541 0.22875520757676 0.61044186750537 15.999 > 6 24 O 0.33408734012541 0.72875520757676 0.61044186750537 15.999 > 6 25 O 0.16591265987459 0.27124479242324 0.36044186750537 15.999 > 7 26 O 0.16591265987459 0.77124479242324 0.36044186750537 15.999 > 7 27 O 0.16591265987459 0.27124479242324 0.86044186750537 15.999 > 7 28 O 0.16591265987459 0.77124479242324 0.86044186750537 15.999 > 7 29 O 0.66591265987459 0.47875520757676 0.38955813249463 15.999 > 8 30 O 0.66591265987459 0.97875520757676 0.38955813249463 15.999 > 8 31 O 0.66591265987459 0.47875520757676 0.88955813249463 15.999 > 8 32 O 0.66591265987459 0.97875520757676 0.88955813249463 15.999 > 8 33 O 0.83408734012541 0.02124479242324 0.13955813249463 15.999 > 9 34 O 0.83408734012541 0.52124479242324 0.13955813249463 15.999 > 9 35 O 0.83408734012541 0.02124479242324 0.63955813249463 15.999 > 9 36 O 0.83408734012541 0.52124479242324 0.63955813249463 15.999 > 9 *37 O 0.90027910136081 0.12500000000000 0.37234957120447 15.999 > 10 38 O 0.90027910136081 0.62500000000000 0.37234957120447 15.999 > 10 39 O 0.90027910136081 0.12500000000000 0.87234957120447 15.999 > 10 40 O 0.90027910136081 0.62500000000000 0.87234957120447 15.999 > 10 41 O 0.83408734012541 0.22875520757676 0.13955813249463 15.999 > 11 42 O 0.83408734012541 0.72875520757676 0.13955813249463 15.999 > 11 43 O 0.83408734012541 0.22875520757676 0.63955813249463 15.999 > 11 44 O 0.83408734012541 0.72875520757676 0.63955813249463 15.999 > 11 45 O 0.33408734012541 0.02124479242324 0.11044186750537 15.999 > 12 46 O 0.33408734012541 0.52124479242324 0.11044186750537 15.999 > 12 47 O 0.33408734012541 0.02124479242324 0.61044186750537 15.999 > 12 48 O 0.33408734012541 0.52124479242324 0.61044186750537 15.999 > 12 49 O 0.09972089863920 0.37500000000000 0.12765042879553 15.999 > 13 50 O 0.09972089863920 0.87500000000000 0.12765042879553 15.999 > 13 51 O 0.09972089863920 0.37500000000000 0.62765042879553 15.999 > 13 52 O 0.09972089863920 0.87500000000000 0.62765042879553 15.999 > 13 53 O 0.40027910136081 0.12500000000000 0.37765042879553 15.999 > 14 54 O 0.40027910136081 0.62500000000000 0.37765042879553 15.999 > 14 55 O 0.40027910136081 0.12500000000000 0.87765042879553 15.999 > 14 56 O 0.40027910136081 0.62500000000000 0.87765042879553 15.999 > 14 *57 O 0.45163705124431 0.37500000000000 0.39896121638370 15.999 > 15 58 O 0.45163705124431 0.87500000000000 0.39896121638370 15.999 > 15 59 O 0.45163705124431 0.37500000000000 0.89896121638370 15.999 > 15 60 O 0.45163705124431 0.87500000000000 0.89896121638370 15.999 > 15 61 O 0.59972089863919 0.37500000000000 0.12234957120447 15.999 > 16 62 O 0.59972089863919 0.87500000000000 0.12234957120447 15.999 > 16 63 O 0.59972089863919 0.37500000000000 0.62234957120447 15.999 > 16 64 O 0.59972089863919 0.87500000000000 0.62234957120447 15.999 > 16 65 O 0.95163705124431 0.37500000000000 0.35103878361630 15.999 > 17 66 O 0.95163705124431 0.87500000000000 0.35103878361630 15.999 > 17 67 O 0.95163705124431 0.37500000000000 0.85103878361630 15.999 > 17 68 O 0.95163705124431 0.87500000000000 0.85103878361630 15.999 > 17 69 O 0.04836294875569 0.12500000000000 0.14896121638370 15.999 > 18 70 O 0.04836294875569 0.62500000000000 0.14896121638370 15.999 > 18 71 O 0.04836294875569 0.12500000000000 0.64896121638370 15.999 > 18 72 O 0.04836294875569 0.62500000000000 0.64896121638370 15.999 > 18 73 O 0.54836294875569 0.12500000000000 0.10103878361630 15.999 > 19 74 O 0.54836294875569 0.62500000000000 0.10103878361630 15.999 > 19 75 O 0.54836294875569 0.12500000000000 0.60103878361630 15.999 > 19 76 O 0.54836294875569 0.62500000000000 0.60103878361630 15.999 > 19 77 O 0.16591265987459 0.47875520757676 0.36044186750537 15.999 > 20 78 O 0.16591265987459 0.97875520757676 0.36044186750537 15.999 > 20 79 O 0.16591265987459 0.47875520757676 0.86044186750537 15.999 > 20 80 O 0.16591265987459 0.97875520757676 0.86044186750537 15.999 > 20 *81 Mg 0.27721362218635 0.37500000000000 0.00862143200902 24.305 > 21 82 Mg 0.27721362218635 0.87500000000000 0.00862143200902 24.305 > 21 83 Mg 0.27721362218635 0.37500000000000 0.50862143200902 24.305 > 21 84 Mg 0.27721362218635 0.87500000000000 0.50862143200902 24.305 > 21 85 Mg 0.72278637781365 0.12500000000000 0.49137856799098 24.305 > 22 86 Mg 0.72278637781365 0.62500000000000 0.49137856799098 24.305 > 22 87 Mg 0.72278637781365 0.12500000000000 0.99137856799098 24.305 > 22 88 Mg 0.72278637781365 0.62500000000000 0.99137856799098 24.305 > 22 89 Mg 0.77721362218635 0.37500000000000 0.24137856799098 24.305 > 23 90 Mg 0.77721362218635 0.87500000000000 0.24137856799098 24.305 > 23 91 Mg 0.77721362218635 0.37500000000000 0.74137856799098 24.305 > 23 92 Mg 0.77721362218635 0.87500000000000 0.74137856799098 24.305 > 23 93 Mg 0.22278637781365 0.12500000000000 0.25862143200902 24.305 > 24 94 Mg 0.22278637781365 0.62500000000000 0.25862143200902 24.305 > 24 95 Mg 0.22278637781365 0.12500000000000 0.75862143200902 24.305 > 24 96 Mg 0.22278637781365 0.62500000000000 0.75862143200902 24.305 > 24 *97 P 0.40605362068567 0.12500000000000 0.04124870015371 30.974 > 25 98 P 0.40605362068567 0.62500000000000 0.04124870015371 30.974 > 25 99 P 0.40605362068567 0.12500000000000 0.54124870015371 30.974 > 25 100 P 0.40605362068567 0.62500000000000 0.54124870015371 30.974 > 25 101 P 0.90605362068567 0.12500000000000 0.20875129984629 30.974 > 26 102 P 0.90605362068567 0.62500000000000 0.20875129984629 30.974 > 26 103 P 0.90605362068567 0.12500000000000 0.70875129984629 30.974 > 26 104 P 0.90605362068567 0.62500000000000 0.70875129984629 30.974 > 26 105 P 0.59394637931433 0.37500000000000 0.45875129984629 30.974 > 27 106 P 0.59394637931433 0.87500000000000 0.45875129984629 30.974 > 27 107 P 0.59394637931433 0.37500000000000 0.95875129984629 30.974 > 27 108 P 0.59394637931433 0.87500000000000 0.95875129984629 30.974 > 27 109 P 0.09394637931433 0.37500000000000 0.29124870015371 30.974 > 28 110 P 0.09394637931433 0.87500000000000 0.29124870015371 30.974 > 28 111 P 0.09394637931433 0.37500000000000 0.79124870015371 30.974 > 28 112 P 0.09394637931433 0.87500000000000 0.79124870015371 30.974 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7020318 0.0000000 0.0000000 0.0000000 2.7125167 0.0000000 0.0000000 0.0000000 2.7722134 -------------------------- Born effective charges -------------------------- 1 Li 0.9126817 -0.2111569 -0.0629109 -0.1727936 1.0461208 0.1143566 0.0211443 -0.0059514 1.2975466 2 Li 0.9126817 -0.2111569 0.0629109 -0.1727936 1.0461208 -0.1143566 -0.0211443 0.0059514 1.2975466 3 Li 0.9126817 0.2111569 -0.0629109 0.1727936 1.0461208 -0.1143566 0.0211443 0.0059514 1.2975466 4 Li 0.9126817 0.2111569 0.0629109 0.1727936 1.0461208 0.1143566 -0.0211443 -0.0059514 1.2975466 5 O -1.4731538 0.3082234 0.2267589 0.3886809 -1.9226862 -0.1788730 0.2213806 -0.1150376 -1.4467553 6 O -1.4731538 0.3082234 0.2267589 0.3886809 -1.9226862 -0.1788730 0.2213806 -0.1150376 -1.4467553 7 O -1.4731538 0.3082234 -0.2267589 0.3886809 -1.9226862 0.1788730 -0.2213806 0.1150376 -1.4467553 8 O -1.4731538 -0.3082234 0.2267589 -0.3886809 -1.9226862 0.1788730 0.2213806 0.1150376 -1.4467553 9 O -1.4731538 -0.3082234 -0.2267589 -0.3886809 -1.9226862 -0.1788730 -0.2213806 -0.1150376 -1.4467553 10 O -1.2395175 -0.0000000 0.0991977 -0.0000000 -1.2087128 0.0000000 0.1450442 0.0000000 -2.3094273 11 O -1.4731538 0.3082234 -0.2267589 0.3886809 -1.9226862 0.1788730 -0.2213806 0.1150376 -1.4467553 12 O -1.4731538 -0.3082234 0.2267589 -0.3886809 -1.9226862 0.1788730 0.2213806 0.1150376 -1.4467553 13 O -1.2395175 -0.0000000 0.0991977 -0.0000000 -1.2087128 0.0000000 0.1450442 0.0000000 -2.3094273 14 O -1.2395175 -0.0000000 -0.0991977 -0.0000000 -1.2087128 0.0000000 -0.1450442 0.0000000 -2.3094273 15 O -2.0906003 -0.0000000 -0.1908626 -0.0000000 -1.2845566 0.0000000 -0.1031999 0.0000000 -1.3381291 16 O -1.2395175 -0.0000000 -0.0991977 -0.0000000 -1.2087128 0.0000000 -0.1450442 0.0000000 -2.3094273 17 O -2.0906003 -0.0000000 0.1908626 -0.0000000 -1.2845566 0.0000000 0.1031999 0.0000000 -1.3381291 18 O -2.0906003 -0.0000000 0.1908626 -0.0000000 -1.2845566 0.0000000 0.1031999 0.0000000 -1.3381291 19 O -2.0906003 -0.0000000 -0.1908626 -0.0000000 -1.2845566 0.0000000 -0.1031999 0.0000000 -1.3381291 20 O -1.4731538 -0.3082234 -0.2267589 -0.3886809 -1.9226862 -0.1788730 -0.2213806 -0.1150376 -1.4467553 21 Mg 2.3488199 -0.0000000 0.0618455 -0.0000000 2.1211460 0.0000000 -0.0579746 0.0000000 1.9973219 22 Mg 2.3488199 -0.0000000 0.0618455 -0.0000000 2.1211460 0.0000000 -0.0579746 0.0000000 1.9973219 23 Mg 2.3488199 -0.0000000 -0.0618455 -0.0000000 2.1211460 0.0000000 0.0579746 0.0000000 1.9973219 24 Mg 2.3488199 -0.0000000 -0.0618455 -0.0000000 2.1211460 0.0000000 0.0579746 0.0000000 1.9973219 25 P 3.0149239 -0.0000000 -0.0279122 -0.0000000 3.1713749 0.0000000 -0.0946815 0.0000000 3.2461986 26 P 3.0149239 -0.0000000 0.0279122 -0.0000000 3.1713749 0.0000000 0.0946815 0.0000000 3.2461986 27 P 3.0149239 -0.0000000 -0.0279122 -0.0000000 3.1713749 0.0000000 -0.0946815 0.0000000 3.2461986 28 P 3.0149239 -0.0000000 0.0279122 -0.0000000 3.1713749 0.0000000 0.0946815 0.0000000 3.2461986 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.416 Solver_block: 200 / 480 - Time: 0.391 Solver_block: 300 / 480 - Time: 0.386 Solver_block: 400 / 480 - Time: 0.390 Solver_block: 480 / 480 - Time: 0.348 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.972 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-07 23:24:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:24:52]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889531180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.678159680000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.66591265987459 0.54248958484648 0.77911626498925 15.999 6 O 0.33408734012541 0.45751041515352 0.22088373501075 15.999 7 O 0.16591265987459 0.54248958484648 0.72088373501075 15.999 8 O 0.66591265987459 0.95751041515352 0.77911626498925 15.999 9 O 0.83408734012541 0.04248958484648 0.27911626498925 15.999 10 O 0.90027910136081 0.25000000000000 0.74469914240893 15.999 11 O 0.83408734012541 0.45751041515352 0.27911626498925 15.999 12 O 0.33408734012541 0.04248958484648 0.22088373501075 15.999 13 O 0.09972089863920 0.75000000000000 0.25530085759107 15.999 14 O 0.40027910136081 0.25000000000000 0.75530085759107 15.999 15 O 0.45163705124431 0.75000000000000 0.79792243276741 15.999 16 O 0.59972089863919 0.75000000000000 0.24469914240893 15.999 17 O 0.95163705124431 0.75000000000000 0.70207756723259 15.999 18 O 0.04836294875569 0.25000000000000 0.29792243276741 15.999 19 O 0.54836294875569 0.25000000000000 0.20207756723259 15.999 20 O 0.16591265987459 0.95751041515352 0.72088373501075 15.999 21 Mg 0.27721362218635 0.75000000000000 0.01724286401804 24.305 22 Mg 0.72278637781365 0.25000000000000 0.98275713598196 24.305 23 Mg 0.77721362218635 0.75000000000000 0.48275713598196 24.305 24 Mg 0.22278637781365 0.25000000000000 0.51724286401804 24.305 25 P 0.40605362068567 0.25000000000000 0.08249740030742 30.974 26 P 0.90605362068567 0.25000000000000 0.41750259969258 30.974 27 P 0.59394637931433 0.75000000000000 0.91750259969258 30.974 28 P 0.09394637931433 0.75000000000000 0.58249740030742 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.779062359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.356319360000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.66591265987459 0.27124479242324 0.38955813249463 15.999 > 17 18 O 0.66591265987459 0.77124479242324 0.38955813249463 15.999 > 17 19 O 0.66591265987459 0.27124479242324 0.88955813249463 15.999 > 17 20 O 0.66591265987459 0.77124479242324 0.88955813249463 15.999 > 17 21 O 0.33408734012541 0.22875520757676 0.11044186750537 15.999 > 21 22 O 0.33408734012541 0.72875520757676 0.11044186750537 15.999 > 21 23 O 0.33408734012541 0.22875520757676 0.61044186750537 15.999 > 21 24 O 0.33408734012541 0.72875520757676 0.61044186750537 15.999 > 21 25 O 0.16591265987459 0.27124479242324 0.36044186750537 15.999 > 25 26 O 0.16591265987459 0.77124479242324 0.36044186750537 15.999 > 25 27 O 0.16591265987459 0.27124479242324 0.86044186750537 15.999 > 25 28 O 0.16591265987459 0.77124479242324 0.86044186750537 15.999 > 25 29 O 0.66591265987459 0.47875520757676 0.38955813249463 15.999 > 29 30 O 0.66591265987459 0.97875520757676 0.38955813249463 15.999 > 29 31 O 0.66591265987459 0.47875520757676 0.88955813249463 15.999 > 29 32 O 0.66591265987459 0.97875520757676 0.88955813249463 15.999 > 29 33 O 0.83408734012541 0.02124479242324 0.13955813249463 15.999 > 33 34 O 0.83408734012541 0.52124479242324 0.13955813249463 15.999 > 33 35 O 0.83408734012541 0.02124479242324 0.63955813249463 15.999 > 33 36 O 0.83408734012541 0.52124479242324 0.63955813249463 15.999 > 33 37 O 0.90027910136081 0.12500000000000 0.37234957120447 15.999 > 37 38 O 0.90027910136081 0.62500000000000 0.37234957120447 15.999 > 37 39 O 0.90027910136081 0.12500000000000 0.87234957120447 15.999 > 37 40 O 0.90027910136081 0.62500000000000 0.87234957120447 15.999 > 37 41 O 0.83408734012541 0.22875520757676 0.13955813249463 15.999 > 41 42 O 0.83408734012541 0.72875520757676 0.13955813249463 15.999 > 41 43 O 0.83408734012541 0.22875520757676 0.63955813249463 15.999 > 41 44 O 0.83408734012541 0.72875520757676 0.63955813249463 15.999 > 41 45 O 0.33408734012541 0.02124479242324 0.11044186750537 15.999 > 45 46 O 0.33408734012541 0.52124479242324 0.11044186750537 15.999 > 45 47 O 0.33408734012541 0.02124479242324 0.61044186750537 15.999 > 45 48 O 0.33408734012541 0.52124479242324 0.61044186750537 15.999 > 45 49 O 0.09972089863920 0.37500000000000 0.12765042879553 15.999 > 49 50 O 0.09972089863920 0.87500000000000 0.12765042879553 15.999 > 49 51 O 0.09972089863920 0.37500000000000 0.62765042879553 15.999 > 49 52 O 0.09972089863920 0.87500000000000 0.62765042879553 15.999 > 49 53 O 0.40027910136081 0.12500000000000 0.37765042879553 15.999 > 53 54 O 0.40027910136081 0.62500000000000 0.37765042879553 15.999 > 53 55 O 0.40027910136081 0.12500000000000 0.87765042879553 15.999 > 53 56 O 0.40027910136081 0.62500000000000 0.87765042879553 15.999 > 53 57 O 0.45163705124431 0.37500000000000 0.39896121638370 15.999 > 57 58 O 0.45163705124431 0.87500000000000 0.39896121638370 15.999 > 57 59 O 0.45163705124431 0.37500000000000 0.89896121638370 15.999 > 57 60 O 0.45163705124431 0.87500000000000 0.89896121638370 15.999 > 57 61 O 0.59972089863919 0.37500000000000 0.12234957120447 15.999 > 61 62 O 0.59972089863919 0.87500000000000 0.12234957120447 15.999 > 61 63 O 0.59972089863919 0.37500000000000 0.62234957120447 15.999 > 61 64 O 0.59972089863919 0.87500000000000 0.62234957120447 15.999 > 61 65 O 0.95163705124431 0.37500000000000 0.35103878361630 15.999 > 65 66 O 0.95163705124431 0.87500000000000 0.35103878361630 15.999 > 65 67 O 0.95163705124431 0.37500000000000 0.85103878361630 15.999 > 65 68 O 0.95163705124431 0.87500000000000 0.85103878361630 15.999 > 65 69 O 0.04836294875569 0.12500000000000 0.14896121638370 15.999 > 69 70 O 0.04836294875569 0.62500000000000 0.14896121638370 15.999 > 69 71 O 0.04836294875569 0.12500000000000 0.64896121638370 15.999 > 69 72 O 0.04836294875569 0.62500000000000 0.64896121638370 15.999 > 69 73 O 0.54836294875569 0.12500000000000 0.10103878361630 15.999 > 73 74 O 0.54836294875569 0.62500000000000 0.10103878361630 15.999 > 73 75 O 0.54836294875569 0.12500000000000 0.60103878361630 15.999 > 73 76 O 0.54836294875569 0.62500000000000 0.60103878361630 15.999 > 73 77 O 0.16591265987459 0.47875520757676 0.36044186750537 15.999 > 77 78 O 0.16591265987459 0.97875520757676 0.36044186750537 15.999 > 77 79 O 0.16591265987459 0.47875520757676 0.86044186750537 15.999 > 77 80 O 0.16591265987459 0.97875520757676 0.86044186750537 15.999 > 77 81 Mg 0.27721362218635 0.37500000000000 0.00862143200902 24.305 > 81 82 Mg 0.27721362218635 0.87500000000000 0.00862143200902 24.305 > 81 83 Mg 0.27721362218635 0.37500000000000 0.50862143200902 24.305 > 81 84 Mg 0.27721362218635 0.87500000000000 0.50862143200902 24.305 > 81 85 Mg 0.72278637781365 0.12500000000000 0.49137856799098 24.305 > 85 86 Mg 0.72278637781365 0.62500000000000 0.49137856799098 24.305 > 85 87 Mg 0.72278637781365 0.12500000000000 0.99137856799098 24.305 > 85 88 Mg 0.72278637781365 0.62500000000000 0.99137856799098 24.305 > 85 89 Mg 0.77721362218635 0.37500000000000 0.24137856799098 24.305 > 89 90 Mg 0.77721362218635 0.87500000000000 0.24137856799098 24.305 > 89 91 Mg 0.77721362218635 0.37500000000000 0.74137856799098 24.305 > 89 92 Mg 0.77721362218635 0.87500000000000 0.74137856799098 24.305 > 89 93 Mg 0.22278637781365 0.12500000000000 0.25862143200902 24.305 > 93 94 Mg 0.22278637781365 0.62500000000000 0.25862143200902 24.305 > 93 95 Mg 0.22278637781365 0.12500000000000 0.75862143200902 24.305 > 93 96 Mg 0.22278637781365 0.62500000000000 0.75862143200902 24.305 > 93 97 P 0.40605362068567 0.12500000000000 0.04124870015371 30.974 > 97 98 P 0.40605362068567 0.62500000000000 0.04124870015371 30.974 > 97 99 P 0.40605362068567 0.12500000000000 0.54124870015371 30.974 > 97 100 P 0.40605362068567 0.62500000000000 0.54124870015371 30.974 > 97 101 P 0.90605362068567 0.12500000000000 0.20875129984629 30.974 > 101 102 P 0.90605362068567 0.62500000000000 0.20875129984629 30.974 > 101 103 P 0.90605362068567 0.12500000000000 0.70875129984629 30.974 > 101 104 P 0.90605362068567 0.62500000000000 0.70875129984629 30.974 > 101 105 P 0.59394637931433 0.37500000000000 0.45875129984629 30.974 > 105 106 P 0.59394637931433 0.87500000000000 0.45875129984629 30.974 > 105 107 P 0.59394637931433 0.37500000000000 0.95875129984629 30.974 > 105 108 P 0.59394637931433 0.87500000000000 0.95875129984629 30.974 > 105 109 P 0.09394637931433 0.37500000000000 0.29124870015371 30.974 > 109 110 P 0.09394637931433 0.87500000000000 0.29124870015371 30.974 > 109 111 P 0.09394637931433 0.37500000000000 0.79124870015371 30.974 > 109 112 P 0.09394637931433 0.87500000000000 0.79124870015371 30.974 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7020318 0.0000000 0.0000000 0.0000000 2.7125167 0.0000000 0.0000000 0.0000000 2.7722134 -------------------------- Born effective charges -------------------------- 1 Li 0.9126817 -0.2111569 -0.0629109 -0.1727936 1.0461208 0.1143566 0.0211443 -0.0059514 1.2975466 2 Li 0.9126817 -0.2111569 0.0629109 -0.1727936 1.0461208 -0.1143566 -0.0211443 0.0059514 1.2975466 3 Li 0.9126817 0.2111569 -0.0629109 0.1727936 1.0461208 -0.1143566 0.0211443 0.0059514 1.2975466 4 Li 0.9126817 0.2111569 0.0629109 0.1727936 1.0461208 0.1143566 -0.0211443 -0.0059514 1.2975466 5 O -1.4731538 0.3082234 0.2267589 0.3886809 -1.9226862 -0.1788730 0.2213806 -0.1150376 -1.4467553 6 O -1.4731538 0.3082234 0.2267589 0.3886809 -1.9226862 -0.1788730 0.2213806 -0.1150376 -1.4467553 7 O -1.4731538 0.3082234 -0.2267589 0.3886809 -1.9226862 0.1788730 -0.2213806 0.1150376 -1.4467553 8 O -1.4731538 -0.3082234 0.2267589 -0.3886809 -1.9226862 0.1788730 0.2213806 0.1150376 -1.4467553 9 O -1.4731538 -0.3082234 -0.2267589 -0.3886809 -1.9226862 -0.1788730 -0.2213806 -0.1150376 -1.4467553 10 O -1.2395175 -0.0000000 0.0991977 -0.0000000 -1.2087128 0.0000000 0.1450442 0.0000000 -2.3094273 11 O -1.4731538 0.3082234 -0.2267589 0.3886809 -1.9226862 0.1788730 -0.2213806 0.1150376 -1.4467553 12 O -1.4731538 -0.3082234 0.2267589 -0.3886809 -1.9226862 0.1788730 0.2213806 0.1150376 -1.4467553 13 O -1.2395175 -0.0000000 0.0991977 -0.0000000 -1.2087128 0.0000000 0.1450442 0.0000000 -2.3094273 14 O -1.2395175 -0.0000000 -0.0991977 -0.0000000 -1.2087128 0.0000000 -0.1450442 0.0000000 -2.3094273 15 O -2.0906003 -0.0000000 -0.1908626 -0.0000000 -1.2845566 0.0000000 -0.1031999 0.0000000 -1.3381291 16 O -1.2395175 -0.0000000 -0.0991977 -0.0000000 -1.2087128 0.0000000 -0.1450442 0.0000000 -2.3094273 17 O -2.0906003 -0.0000000 0.1908626 -0.0000000 -1.2845566 0.0000000 0.1031999 0.0000000 -1.3381291 18 O -2.0906003 -0.0000000 0.1908626 -0.0000000 -1.2845566 0.0000000 0.1031999 0.0000000 -1.3381291 19 O -2.0906003 -0.0000000 -0.1908626 -0.0000000 -1.2845566 0.0000000 -0.1031999 0.0000000 -1.3381291 20 O -1.4731538 -0.3082234 -0.2267589 -0.3886809 -1.9226862 -0.1788730 -0.2213806 -0.1150376 -1.4467553 21 Mg 2.3488199 -0.0000000 0.0618455 -0.0000000 2.1211460 0.0000000 -0.0579746 0.0000000 1.9973219 22 Mg 2.3488199 -0.0000000 0.0618455 -0.0000000 2.1211460 0.0000000 -0.0579746 0.0000000 1.9973219 23 Mg 2.3488199 -0.0000000 -0.0618455 -0.0000000 2.1211460 0.0000000 0.0579746 0.0000000 1.9973219 24 Mg 2.3488199 -0.0000000 -0.0618455 -0.0000000 2.1211460 0.0000000 0.0579746 0.0000000 1.9973219 25 P 3.0149239 -0.0000000 -0.0279122 -0.0000000 3.1713749 0.0000000 -0.0946815 0.0000000 3.2461986 26 P 3.0149239 -0.0000000 0.0279122 -0.0000000 3.1713749 0.0000000 0.0946815 0.0000000 3.2461986 27 P 3.0149239 -0.0000000 -0.0279122 -0.0000000 3.1713749 0.0000000 -0.0946815 0.0000000 3.2461986 28 P 3.0149239 -0.0000000 0.0279122 -0.0000000 3.1713749 0.0000000 0.0946815 0.0000000 3.2461986 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yz) 0.00000003 (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 2026-01-07 23:25:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:12]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889531180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.678159680000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 O 0.66591265987459 0.54248958484648 0.77911626498925 15.999 6 O 0.33408734012541 0.45751041515352 0.22088373501075 15.999 7 O 0.16591265987459 0.54248958484648 0.72088373501075 15.999 8 O 0.66591265987459 0.95751041515352 0.77911626498925 15.999 9 O 0.83408734012541 0.04248958484648 0.27911626498925 15.999 10 O 0.90027910136081 0.25000000000000 0.74469914240893 15.999 11 O 0.83408734012541 0.45751041515352 0.27911626498925 15.999 12 O 0.33408734012541 0.04248958484648 0.22088373501075 15.999 13 O 0.09972089863920 0.75000000000000 0.25530085759107 15.999 14 O 0.40027910136081 0.25000000000000 0.75530085759107 15.999 15 O 0.45163705124431 0.75000000000000 0.79792243276741 15.999 16 O 0.59972089863919 0.75000000000000 0.24469914240893 15.999 17 O 0.95163705124431 0.75000000000000 0.70207756723259 15.999 18 O 0.04836294875569 0.25000000000000 0.29792243276741 15.999 19 O 0.54836294875569 0.25000000000000 0.20207756723259 15.999 20 O 0.16591265987459 0.95751041515352 0.72088373501075 15.999 21 Mg 0.27721362218635 0.75000000000000 0.01724286401804 24.305 22 Mg 0.72278637781365 0.25000000000000 0.98275713598196 24.305 23 Mg 0.77721362218635 0.75000000000000 0.48275713598196 24.305 24 Mg 0.22278637781365 0.25000000000000 0.51724286401804 24.305 25 P 0.40605362068567 0.25000000000000 0.08249740030742 30.974 26 P 0.90605362068567 0.25000000000000 0.41750259969258 30.974 27 P 0.59394637931433 0.75000000000000 0.91750259969258 30.974 28 P 0.09394637931433 0.75000000000000 0.58249740030742 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.131825970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.779062359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.356319360000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 5 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.50000000000000 0.50000000000000 0.25000000000000 6.941 > 5 7 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.75000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 9 10 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 9 11 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 9 12 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 9 13 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 13 14 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 13 15 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 13 17 O 0.66591265987459 0.27124479242324 0.38955813249463 15.999 > 17 18 O 0.66591265987459 0.77124479242324 0.38955813249463 15.999 > 17 19 O 0.66591265987459 0.27124479242324 0.88955813249463 15.999 > 17 20 O 0.66591265987459 0.77124479242324 0.88955813249463 15.999 > 17 21 O 0.33408734012541 0.22875520757676 0.11044186750537 15.999 > 21 22 O 0.33408734012541 0.72875520757676 0.11044186750537 15.999 > 21 23 O 0.33408734012541 0.22875520757676 0.61044186750537 15.999 > 21 24 O 0.33408734012541 0.72875520757676 0.61044186750537 15.999 > 21 25 O 0.16591265987459 0.27124479242324 0.36044186750537 15.999 > 25 26 O 0.16591265987459 0.77124479242324 0.36044186750537 15.999 > 25 27 O 0.16591265987459 0.27124479242324 0.86044186750537 15.999 > 25 28 O 0.16591265987459 0.77124479242324 0.86044186750537 15.999 > 25 29 O 0.66591265987459 0.47875520757676 0.38955813249463 15.999 > 29 30 O 0.66591265987459 0.97875520757676 0.38955813249463 15.999 > 29 31 O 0.66591265987459 0.47875520757676 0.88955813249463 15.999 > 29 32 O 0.66591265987459 0.97875520757676 0.88955813249463 15.999 > 29 33 O 0.83408734012541 0.02124479242324 0.13955813249463 15.999 > 33 34 O 0.83408734012541 0.52124479242324 0.13955813249463 15.999 > 33 35 O 0.83408734012541 0.02124479242324 0.63955813249463 15.999 > 33 36 O 0.83408734012541 0.52124479242324 0.63955813249463 15.999 > 33 37 O 0.90027910136081 0.12500000000000 0.37234957120447 15.999 > 37 38 O 0.90027910136081 0.62500000000000 0.37234957120447 15.999 > 37 39 O 0.90027910136081 0.12500000000000 0.87234957120447 15.999 > 37 40 O 0.90027910136081 0.62500000000000 0.87234957120447 15.999 > 37 41 O 0.83408734012541 0.22875520757676 0.13955813249463 15.999 > 41 42 O 0.83408734012541 0.72875520757676 0.13955813249463 15.999 > 41 43 O 0.83408734012541 0.22875520757676 0.63955813249463 15.999 > 41 44 O 0.83408734012541 0.72875520757676 0.63955813249463 15.999 > 41 45 O 0.33408734012541 0.02124479242324 0.11044186750537 15.999 > 45 46 O 0.33408734012541 0.52124479242324 0.11044186750537 15.999 > 45 47 O 0.33408734012541 0.02124479242324 0.61044186750537 15.999 > 45 48 O 0.33408734012541 0.52124479242324 0.61044186750537 15.999 > 45 49 O 0.09972089863920 0.37500000000000 0.12765042879553 15.999 > 49 50 O 0.09972089863920 0.87500000000000 0.12765042879553 15.999 > 49 51 O 0.09972089863920 0.37500000000000 0.62765042879553 15.999 > 49 52 O 0.09972089863920 0.87500000000000 0.62765042879553 15.999 > 49 53 O 0.40027910136081 0.12500000000000 0.37765042879553 15.999 > 53 54 O 0.40027910136081 0.62500000000000 0.37765042879553 15.999 > 53 55 O 0.40027910136081 0.12500000000000 0.87765042879553 15.999 > 53 56 O 0.40027910136081 0.62500000000000 0.87765042879553 15.999 > 53 57 O 0.45163705124431 0.37500000000000 0.39896121638370 15.999 > 57 58 O 0.45163705124431 0.87500000000000 0.39896121638370 15.999 > 57 59 O 0.45163705124431 0.37500000000000 0.89896121638370 15.999 > 57 60 O 0.45163705124431 0.87500000000000 0.89896121638370 15.999 > 57 61 O 0.59972089863919 0.37500000000000 0.12234957120447 15.999 > 61 62 O 0.59972089863919 0.87500000000000 0.12234957120447 15.999 > 61 63 O 0.59972089863919 0.37500000000000 0.62234957120447 15.999 > 61 64 O 0.59972089863919 0.87500000000000 0.62234957120447 15.999 > 61 65 O 0.95163705124431 0.37500000000000 0.35103878361630 15.999 > 65 66 O 0.95163705124431 0.87500000000000 0.35103878361630 15.999 > 65 67 O 0.95163705124431 0.37500000000000 0.85103878361630 15.999 > 65 68 O 0.95163705124431 0.87500000000000 0.85103878361630 15.999 > 65 69 O 0.04836294875569 0.12500000000000 0.14896121638370 15.999 > 69 70 O 0.04836294875569 0.62500000000000 0.14896121638370 15.999 > 69 71 O 0.04836294875569 0.12500000000000 0.64896121638370 15.999 > 69 72 O 0.04836294875569 0.62500000000000 0.64896121638370 15.999 > 69 73 O 0.54836294875569 0.12500000000000 0.10103878361630 15.999 > 73 74 O 0.54836294875569 0.62500000000000 0.10103878361630 15.999 > 73 75 O 0.54836294875569 0.12500000000000 0.60103878361630 15.999 > 73 76 O 0.54836294875569 0.62500000000000 0.60103878361630 15.999 > 73 77 O 0.16591265987459 0.47875520757676 0.36044186750537 15.999 > 77 78 O 0.16591265987459 0.97875520757676 0.36044186750537 15.999 > 77 79 O 0.16591265987459 0.47875520757676 0.86044186750537 15.999 > 77 80 O 0.16591265987459 0.97875520757676 0.86044186750537 15.999 > 77 81 Mg 0.27721362218635 0.37500000000000 0.00862143200902 24.305 > 81 82 Mg 0.27721362218635 0.87500000000000 0.00862143200902 24.305 > 81 83 Mg 0.27721362218635 0.37500000000000 0.50862143200902 24.305 > 81 84 Mg 0.27721362218635 0.87500000000000 0.50862143200902 24.305 > 81 85 Mg 0.72278637781365 0.12500000000000 0.49137856799098 24.305 > 85 86 Mg 0.72278637781365 0.62500000000000 0.49137856799098 24.305 > 85 87 Mg 0.72278637781365 0.12500000000000 0.99137856799098 24.305 > 85 88 Mg 0.72278637781365 0.62500000000000 0.99137856799098 24.305 > 85 89 Mg 0.77721362218635 0.37500000000000 0.24137856799098 24.305 > 89 90 Mg 0.77721362218635 0.87500000000000 0.24137856799098 24.305 > 89 91 Mg 0.77721362218635 0.37500000000000 0.74137856799098 24.305 > 89 92 Mg 0.77721362218635 0.87500000000000 0.74137856799098 24.305 > 89 93 Mg 0.22278637781365 0.12500000000000 0.25862143200902 24.305 > 93 94 Mg 0.22278637781365 0.62500000000000 0.25862143200902 24.305 > 93 95 Mg 0.22278637781365 0.12500000000000 0.75862143200902 24.305 > 93 96 Mg 0.22278637781365 0.62500000000000 0.75862143200902 24.305 > 93 97 P 0.40605362068567 0.12500000000000 0.04124870015371 30.974 > 97 98 P 0.40605362068567 0.62500000000000 0.04124870015371 30.974 > 97 99 P 0.40605362068567 0.12500000000000 0.54124870015371 30.974 > 97 100 P 0.40605362068567 0.62500000000000 0.54124870015371 30.974 > 97 101 P 0.90605362068567 0.12500000000000 0.20875129984629 30.974 > 101 102 P 0.90605362068567 0.62500000000000 0.20875129984629 30.974 > 101 103 P 0.90605362068567 0.12500000000000 0.70875129984629 30.974 > 101 104 P 0.90605362068567 0.62500000000000 0.70875129984629 30.974 > 101 105 P 0.59394637931433 0.37500000000000 0.45875129984629 30.974 > 105 106 P 0.59394637931433 0.87500000000000 0.45875129984629 30.974 > 105 107 P 0.59394637931433 0.37500000000000 0.95875129984629 30.974 > 105 108 P 0.59394637931433 0.87500000000000 0.95875129984629 30.974 > 105 109 P 0.09394637931433 0.37500000000000 0.29124870015371 30.974 > 109 110 P 0.09394637931433 0.87500000000000 0.29124870015371 30.974 > 109 111 P 0.09394637931433 0.37500000000000 0.79124870015371 30.974 > 109 112 P 0.09394637931433 0.87500000000000 0.79124870015371 30.974 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7020318 0.0000000 0.0000000 0.0000000 2.7125167 0.0000000 0.0000000 0.0000000 2.7722134 -------------------------- Born effective charges -------------------------- 1 Li 0.9126817 -0.2111569 -0.0629109 -0.1727936 1.0461208 0.1143566 0.0211443 -0.0059514 1.2975466 2 Li 0.9126817 -0.2111569 0.0629109 -0.1727936 1.0461208 -0.1143566 -0.0211443 0.0059514 1.2975466 3 Li 0.9126817 0.2111569 -0.0629109 0.1727936 1.0461208 -0.1143566 0.0211443 0.0059514 1.2975466 4 Li 0.9126817 0.2111569 0.0629109 0.1727936 1.0461208 0.1143566 -0.0211443 -0.0059514 1.2975466 5 O -1.4731538 0.3082234 0.2267589 0.3886809 -1.9226862 -0.1788730 0.2213806 -0.1150376 -1.4467553 6 O -1.4731538 0.3082234 0.2267589 0.3886809 -1.9226862 -0.1788730 0.2213806 -0.1150376 -1.4467553 7 O -1.4731538 0.3082234 -0.2267589 0.3886809 -1.9226862 0.1788730 -0.2213806 0.1150376 -1.4467553 8 O -1.4731538 -0.3082234 0.2267589 -0.3886809 -1.9226862 0.1788730 0.2213806 0.1150376 -1.4467553 9 O -1.4731538 -0.3082234 -0.2267589 -0.3886809 -1.9226862 -0.1788730 -0.2213806 -0.1150376 -1.4467553 10 O -1.2395175 -0.0000000 0.0991977 -0.0000000 -1.2087128 0.0000000 0.1450442 0.0000000 -2.3094273 11 O -1.4731538 0.3082234 -0.2267589 0.3886809 -1.9226862 0.1788730 -0.2213806 0.1150376 -1.4467553 12 O -1.4731538 -0.3082234 0.2267589 -0.3886809 -1.9226862 0.1788730 0.2213806 0.1150376 -1.4467553 13 O -1.2395175 -0.0000000 0.0991977 -0.0000000 -1.2087128 0.0000000 0.1450442 0.0000000 -2.3094273 14 O -1.2395175 -0.0000000 -0.0991977 -0.0000000 -1.2087128 0.0000000 -0.1450442 0.0000000 -2.3094273 15 O -2.0906003 -0.0000000 -0.1908626 -0.0000000 -1.2845566 0.0000000 -0.1031999 0.0000000 -1.3381291 16 O -1.2395175 -0.0000000 -0.0991977 -0.0000000 -1.2087128 0.0000000 -0.1450442 0.0000000 -2.3094273 17 O -2.0906003 -0.0000000 0.1908626 -0.0000000 -1.2845566 0.0000000 0.1031999 0.0000000 -1.3381291 18 O -2.0906003 -0.0000000 0.1908626 -0.0000000 -1.2845566 0.0000000 0.1031999 0.0000000 -1.3381291 19 O -2.0906003 -0.0000000 -0.1908626 -0.0000000 -1.2845566 0.0000000 -0.1031999 0.0000000 -1.3381291 20 O -1.4731538 -0.3082234 -0.2267589 -0.3886809 -1.9226862 -0.1788730 -0.2213806 -0.1150376 -1.4467553 21 Mg 2.3488199 -0.0000000 0.0618455 -0.0000000 2.1211460 0.0000000 -0.0579746 0.0000000 1.9973219 22 Mg 2.3488199 -0.0000000 0.0618455 -0.0000000 2.1211460 0.0000000 -0.0579746 0.0000000 1.9973219 23 Mg 2.3488199 -0.0000000 -0.0618455 -0.0000000 2.1211460 0.0000000 0.0579746 0.0000000 1.9973219 24 Mg 2.3488199 -0.0000000 -0.0618455 -0.0000000 2.1211460 0.0000000 0.0579746 0.0000000 1.9973219 25 P 3.0149239 -0.0000000 -0.0279122 -0.0000000 3.1713749 0.0000000 -0.0946815 0.0000000 3.2461986 26 P 3.0149239 -0.0000000 0.0279122 -0.0000000 3.1713749 0.0000000 0.0946815 0.0000000 3.2461986 27 P 3.0149239 -0.0000000 -0.0279122 -0.0000000 3.1713749 0.0000000 -0.0946815 0.0000000 3.2461986 28 P 3.0149239 -0.0000000 0.0279122 -0.0000000 3.1713749 0.0000000 0.0946815 0.0000000 3.2461986 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (xxx) 0.00000010 (xxx) 0.00000010 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 5 8 11 ] 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: 0.64, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 3.567 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.136 ( 0.000 0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.400 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 11.302 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.615 ( 0.000 0.000 0.000) 0.000 12.637 ( 0.000 0.000 0.000) 0.000 13.166 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 13.378 ( 0.000 0.000 0.000) 0.000 13.432 ( 0.000 0.000 0.000) 0.000 13.772 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.381 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 16.914 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 17.027 ( 0.000 0.000 0.000) 0.000 17.071 ( 0.000 0.000 0.000) 0.000 17.302 ( 0.000 0.000 0.000) 0.000 17.919 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 0.000) 0.000 18.738 ( 0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 19.301 ( 0.000 0.000 0.000) 0.000 27.525 ( 0.000 0.000 0.000) 0.000 27.567 ( 0.000 0.000 0.000) 0.000 27.620 ( 0.000 0.000 0.000) 0.000 27.738 ( 0.000 0.000 0.000) 0.000 28.349 ( 0.000 0.000 0.000) 0.000 28.561 ( 0.000 0.000 0.000) 0.000 29.648 ( 0.000 0.000 0.000) 0.000 29.890 ( 0.000 0.000 0.000) 0.000 30.005 ( 0.000 0.000 0.000) 0.000 30.458 ( 0.000 0.000 0.000) 0.000 30.622 ( 0.000 0.000 0.000) 0.000 31.439 ( 0.000 0.000 0.000) 0.000 31.522 ( 0.000 0.000 0.000) 0.000 31.783 ( 0.000 0.000 0.000) 0.000 32.343 ( 0.000 0.000 0.000) 0.000 33.567 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 45.685 0.000 0.000) 45.685 0.922 ( 46.063 0.000 0.000) 46.063 1.454 ( 71.821 0.000 0.000) 71.821 3.224 ( -27.892 0.000 0.000) 27.892 3.373 ( -29.304 0.000 0.000) 29.304 4.305 ( 14.750 0.000 0.000) 14.750 5.013 ( -6.360 0.000 0.000) 6.360 5.089 ( -39.384 0.000 0.000) 39.384 5.090 ( 25.123 0.000 0.000) 25.123 5.626 ( 8.610 0.000 0.000) 8.610 5.971 ( 3.854 0.000 0.000) 3.854 6.060 ( -2.802 0.000 0.000) 2.802 6.155 ( 3.920 0.000 0.000) 3.920 6.261 ( -6.574 0.000 0.000) 6.574 6.395 ( -3.634 0.000 0.000) 3.634 6.573 ( -1.327 0.000 0.000) 1.327 6.584 ( 1.309 0.000 0.000) 1.309 6.695 ( 3.297 0.000 0.000) 3.297 6.939 ( 0.421 0.000 0.000) 0.421 7.163 ( -2.166 0.000 0.000) 2.166 7.258 ( 0.073 0.000 0.000) 0.073 7.570 ( -15.842 0.000 0.000) 15.842 7.610 ( -5.873 0.000 0.000) 5.873 7.842 ( -0.366 0.000 0.000) 0.366 7.936 ( -2.591 0.000 0.000) 2.591 8.150 ( -0.592 0.000 0.000) 0.592 8.177 ( 2.616 0.000 0.000) 2.616 8.378 ( -1.871 0.000 0.000) 1.871 8.500 ( 18.385 0.000 0.000) 18.385 8.785 ( 14.846 0.000 0.000) 14.846 9.026 ( 4.380 0.000 0.000) 4.380 9.150 ( 4.688 0.000 0.000) 4.688 9.629 ( -5.287 0.000 0.000) 5.287 9.646 ( -4.319 0.000 0.000) 4.319 9.984 ( -13.784 0.000 0.000) 13.784 10.154 ( 2.279 0.000 0.000) 2.279 10.329 ( -8.104 0.000 0.000) 8.104 10.486 ( -7.848 0.000 0.000) 7.848 10.642 ( 14.008 0.000 0.000) 14.008 11.017 ( 7.519 0.000 0.000) 7.519 11.290 ( -1.303 0.000 0.000) 1.303 11.294 ( -13.742 0.000 0.000) 13.742 12.404 ( 23.882 0.000 0.000) 23.882 12.417 ( 3.394 0.000 0.000) 3.394 12.608 ( -0.796 0.000 0.000) 0.796 12.646 ( 1.045 0.000 0.000) 1.045 12.987 ( -10.189 0.000 0.000) 10.189 13.381 ( 0.353 0.000 0.000) 0.353 13.388 ( 9.042 0.000 0.000) 9.042 13.416 ( -1.707 0.000 0.000) 1.707 13.628 ( -7.976 0.000 0.000) 7.976 13.747 ( -2.528 0.000 0.000) 2.528 14.423 ( 4.097 0.000 0.000) 4.097 14.689 ( -1.331 0.000 0.000) 1.331 14.881 ( 1.023 0.000 0.000) 1.023 15.182 ( -8.347 0.000 0.000) 8.347 15.742 ( 3.334 0.000 0.000) 3.334 16.052 ( -3.961 0.000 0.000) 3.961 17.006 ( 2.318 0.000 0.000) 2.318 17.026 ( 0.021 0.000 0.000) 0.021 17.098 ( 2.557 0.000 0.000) 2.557 17.283 ( -1.870 0.000 0.000) 1.870 17.446 ( 4.439 0.000 0.000) 4.439 17.873 ( -4.520 0.000 0.000) 4.520 18.554 ( 0.495 0.000 0.000) 0.495 18.677 ( -4.164 0.000 0.000) 4.164 19.035 ( 8.123 0.000 0.000) 8.123 19.482 ( -4.025 0.000 0.000) 4.025 27.548 ( 0.006 0.000 0.000) 0.006 27.564 ( -0.293 0.000 0.000) 0.293 27.634 ( 1.343 0.000 0.000) 1.343 27.729 ( -0.927 0.000 0.000) 0.927 28.366 ( 1.756 0.000 0.000) 1.756 28.538 ( -2.275 0.000 0.000) 2.275 29.674 ( 2.515 0.000 0.000) 2.515 29.869 ( -2.049 0.000 0.000) 2.049 30.045 ( 3.982 0.000 0.000) 3.982 30.410 ( -4.574 0.000 0.000) 4.574 31.443 ( 0.351 0.000 0.000) 0.351 31.503 ( -1.536 0.000 0.000) 1.536 31.836 ( 4.805 0.000 0.000) 4.805 32.144 ( -2.910 0.000 0.000) 2.910 33.573 ( 0.595 0.000 0.000) 0.595 33.624 ( -0.586 0.000 0.000) 0.586 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 42.430 0.000 0.000) 42.430 1.804 ( 42.900 0.000 0.000) 42.900 2.520 ( -10.926 0.000 0.000) 10.926 2.576 ( -36.878 0.000 0.000) 36.878 2.998 ( 39.004 0.000 0.000) 39.004 4.126 ( -56.192 0.000 0.000) 56.192 4.590 ( 13.740 0.000 0.000) 13.740 4.837 ( -11.043 0.000 0.000) 11.043 5.616 ( 25.483 0.000 0.000) 25.483 5.840 ( 12.067 0.000 0.000) 12.067 5.961 ( -8.740 0.000 0.000) 8.740 6.075 ( -11.255 0.000 0.000) 11.255 6.084 ( 8.454 0.000 0.000) 8.454 6.251 ( 5.185 0.000 0.000) 5.185 6.337 ( -3.280 0.000 0.000) 3.280 6.367 ( -18.109 0.000 0.000) 18.109 6.624 ( 2.778 0.000 0.000) 2.778 6.688 ( -3.106 0.000 0.000) 3.106 6.999 ( 5.041 0.000 0.000) 5.041 7.098 ( -4.379 0.000 0.000) 4.379 7.171 ( 0.490 0.000 0.000) 0.490 7.298 ( -10.963 0.000 0.000) 10.963 7.785 ( 13.954 0.000 0.000) 13.954 7.844 ( 0.862 0.000 0.000) 0.862 7.880 ( -2.617 0.000 0.000) 2.617 8.029 ( -10.072 0.000 0.000) 10.072 8.245 ( 3.975 0.000 0.000) 3.975 8.323 ( -3.602 0.000 0.000) 3.602 8.817 ( 13.428 0.000 0.000) 13.428 8.991 ( -1.826 0.000 0.000) 1.826 9.191 ( 14.070 0.000 0.000) 14.070 9.275 ( 6.427 0.000 0.000) 6.427 9.498 ( -7.046 0.000 0.000) 7.046 9.515 ( -7.882 0.000 0.000) 7.882 9.849 ( 2.745 0.000 0.000) 2.745 10.072 ( -15.967 0.000 0.000) 15.967 10.222 ( 4.589 0.000 0.000) 4.589 10.336 ( -6.889 0.000 0.000) 6.889 10.886 ( 10.582 0.000 0.000) 10.582 11.073 ( -9.177 0.000 0.000) 9.177 11.156 ( 5.961 0.000 0.000) 5.961 11.246 ( -3.268 0.000 0.000) 3.268 12.504 ( 4.845 0.000 0.000) 4.845 12.579 ( -2.399 0.000 0.000) 2.399 12.686 ( 3.411 0.000 0.000) 3.411 12.800 ( -8.135 0.000 0.000) 8.135 12.898 ( 24.512 0.000 0.000) 24.512 13.306 ( -14.026 0.000 0.000) 14.026 13.396 ( 1.270 0.000 0.000) 1.270 13.447 ( -5.601 0.000 0.000) 5.601 13.550 ( 7.298 0.000 0.000) 7.298 13.673 ( -5.026 0.000 0.000) 5.026 14.528 ( 6.052 0.000 0.000) 6.052 14.636 ( -4.229 0.000 0.000) 4.229 14.917 ( 2.913 0.000 0.000) 2.913 15.014 ( -7.250 0.000 0.000) 7.250 15.832 ( 5.594 0.000 0.000) 5.594 15.950 ( -5.952 0.000 0.000) 5.952 17.030 ( 0.297 0.000 0.000) 0.297 17.033 ( 0.292 0.000 0.000) 0.292 17.162 ( 3.645 0.000 0.000) 3.645 17.232 ( -3.250 0.000 0.000) 3.250 17.580 ( 8.436 0.000 0.000) 8.436 17.748 ( -7.912 0.000 0.000) 7.912 18.570 ( 1.274 0.000 0.000) 1.274 18.608 ( -2.651 0.000 0.000) 2.651 19.208 ( 8.846 0.000 0.000) 8.846 19.370 ( -7.205 0.000 0.000) 7.205 27.550 ( 0.242 0.000 0.000) 0.242 27.557 ( -0.390 0.000 0.000) 0.390 27.667 ( 1.872 0.000 0.000) 1.872 27.703 ( -1.645 0.000 0.000) 1.645 28.415 ( 3.035 0.000 0.000) 3.035 28.480 ( -3.344 0.000 0.000) 3.344 29.739 ( 3.758 0.000 0.000) 3.758 29.813 ( -3.482 0.000 0.000) 3.482 30.153 ( 6.628 0.000 0.000) 6.628 30.292 ( -6.973 0.000 0.000) 6.973 31.454 ( 0.775 0.000 0.000) 0.775 31.474 ( -1.292 0.000 0.000) 1.292 31.949 ( 6.097 0.000 0.000) 6.097 32.062 ( -5.164 0.000 0.000) 5.164 33.589 ( 0.958 0.000 0.000) 0.958 33.608 ( -0.952 0.000 0.000) 0.952 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 40.411 0.000) 40.411 0.982 ( 0.000 46.105 0.000) 46.105 1.633 ( 0.000 75.121 0.000) 75.121 3.660 ( 0.000 8.257 0.000) 8.257 3.792 ( 0.000 6.024 0.000) 6.024 4.268 ( 0.000 15.122 0.000) 15.122 4.739 ( 0.000 -0.797 0.000) 0.797 5.216 ( 0.000 12.343 0.000) 12.343 5.365 ( 0.000 -13.343 0.000) 13.343 5.496 ( 0.000 -5.551 0.000) 5.551 5.758 ( 0.000 -15.375 0.000) 15.375 5.820 ( 0.000 -14.096 0.000) 14.096 6.287 ( 0.000 6.604 0.000) 6.604 6.529 ( 0.000 4.430 0.000) 4.430 6.584 ( 0.000 12.016 0.000) 12.016 6.622 ( 0.000 6.526 0.000) 6.526 6.774 ( 0.000 18.638 0.000) 18.638 6.900 ( 0.000 -1.013 0.000) 1.013 7.086 ( 0.000 -7.047 0.000) 7.047 7.220 ( 0.000 4.349 0.000) 4.349 7.267 ( 0.000 7.327 0.000) 7.327 7.525 ( 0.000 -15.141 0.000) 15.141 7.740 ( 0.000 -2.564 0.000) 2.564 7.922 ( 0.000 -1.832 0.000) 1.832 7.942 ( 0.000 -11.788 0.000) 11.788 8.131 ( 0.000 6.019 0.000) 6.019 8.155 ( 0.000 17.649 0.000) 17.649 8.181 ( 0.000 11.153 0.000) 11.153 8.339 ( 0.000 6.239 0.000) 6.239 8.986 ( 0.000 4.236 0.000) 4.236 9.016 ( 0.000 5.706 0.000) 5.706 9.066 ( 0.000 -3.143 0.000) 3.143 9.358 ( 0.000 -2.117 0.000) 2.117 9.680 ( 0.000 -0.269 0.000) 0.269 10.069 ( 0.000 -6.245 0.000) 6.245 10.129 ( 0.000 -0.519 0.000) 0.519 10.366 ( 0.000 -3.346 0.000) 3.346 10.376 ( 0.000 -2.176 0.000) 2.176 10.542 ( 0.000 -4.763 0.000) 4.763 11.195 ( 0.000 -9.902 0.000) 9.902 11.219 ( 0.000 -4.568 0.000) 4.568 11.443 ( 0.000 -5.440 0.000) 5.440 11.591 ( 0.000 -5.751 0.000) 5.751 11.852 ( 0.000 -16.066 0.000) 16.066 12.423 ( 0.000 3.588 0.000) 3.588 12.906 ( 0.000 19.170 0.000) 19.170 13.188 ( 0.000 3.084 0.000) 3.084 13.203 ( 0.000 -5.189 0.000) 5.189 13.238 ( 0.000 1.326 0.000) 1.326 13.433 ( 0.000 4.955 0.000) 4.955 13.530 ( 0.000 7.236 0.000) 7.236 14.252 ( 0.000 0.669 0.000) 0.669 14.341 ( 0.000 -3.718 0.000) 3.718 14.792 ( 0.000 -7.131 0.000) 7.131 14.797 ( 0.000 -5.082 0.000) 5.082 14.854 ( 0.000 -5.089 0.000) 5.089 16.018 ( 0.000 -6.137 0.000) 6.137 16.741 ( 0.000 -1.467 0.000) 1.467 16.907 ( 0.000 -0.764 0.000) 0.764 16.923 ( 0.000 -6.159 0.000) 6.159 17.026 ( 0.000 4.380 0.000) 4.380 17.183 ( 0.000 6.504 0.000) 6.504 17.307 ( 0.000 0.482 0.000) 0.482 17.894 ( 0.000 -2.308 0.000) 2.308 18.595 ( 0.000 4.119 0.000) 4.119 18.749 ( 0.000 0.949 0.000) 0.949 18.938 ( 0.000 0.348 0.000) 0.348 19.277 ( 0.000 -2.257 0.000) 2.257 27.524 ( 0.000 -0.061 0.000) 0.061 27.556 ( 0.000 -0.771 0.000) 0.771 27.617 ( 0.000 -0.293 0.000) 0.293 27.730 ( 0.000 -0.729 0.000) 0.729 28.608 ( 0.000 4.043 0.000) 4.043 29.509 ( 0.000 -10.281 0.000) 10.281 29.888 ( 0.000 -0.216 0.000) 0.216 29.989 ( 0.000 -1.408 0.000) 1.408 30.673 ( 0.000 16.926 0.000) 16.926 30.674 ( 0.000 4.892 0.000) 4.892 31.444 ( 0.000 0.286 0.000) 0.286 31.511 ( 0.000 -1.017 0.000) 1.017 31.781 ( 0.000 -0.722 0.000) 0.722 31.783 ( 0.000 0.250 0.000) 0.250 32.306 ( 0.000 -3.428 0.000) 3.428 33.465 ( 0.000 -9.271 0.000) 9.271 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 33.422 26.896 0.000) 42.900 1.254 ( 27.818 32.189 0.000) 42.544 2.217 ( 47.897 55.381 0.000) 73.220 3.324 ( -27.639 8.942 0.000) 29.050 3.452 ( -27.997 7.461 0.000) 28.974 4.466 ( 14.104 14.244 0.000) 20.046 5.000 ( 15.812 -2.908 0.000) 16.078 5.148 ( -27.940 3.945 0.000) 28.218 5.197 ( 1.717 12.088 0.000) 12.209 5.505 ( 4.301 -10.036 0.000) 10.919 5.773 ( 1.705 -16.572 0.000) 16.659 5.813 ( 3.231 -18.537 0.000) 18.816 6.269 ( -1.412 7.459 0.000) 7.591 6.396 ( -7.510 9.169 0.000) 11.852 6.608 ( -4.993 13.093 0.000) 14.013 6.623 ( 0.224 5.587 0.000) 5.592 6.753 ( -3.510 13.305 0.000) 13.760 6.865 ( -0.297 8.360 0.000) 8.365 6.914 ( -4.141 -2.061 0.000) 4.626 7.212 ( -4.144 4.268 0.000) 5.949 7.283 ( -3.567 2.234 0.000) 4.209 7.382 ( -11.240 -12.771 0.000) 17.012 7.597 ( -0.124 1.020 0.000) 1.027 7.871 ( -1.546 -5.749 0.000) 5.954 7.978 ( 0.714 4.609 0.000) 4.664 8.139 ( 2.019 2.785 0.000) 3.440 8.182 ( -0.704 4.122 0.000) 4.182 8.360 ( 5.885 2.937 0.000) 6.577 8.559 ( 14.891 4.372 0.000) 15.519 8.935 ( 4.937 9.568 0.000) 10.766 9.054 ( 3.657 2.800 0.000) 4.606 9.110 ( 4.589 -3.108 0.000) 5.542 9.523 ( 5.622 -8.086 0.000) 9.848 9.627 ( -4.868 0.128 0.000) 4.870 9.818 ( -14.992 -8.657 0.000) 17.312 10.133 ( -0.688 -2.411 0.000) 2.507 10.322 ( -5.517 -0.681 0.000) 5.558 10.476 ( -4.022 -4.342 0.000) 5.919 10.619 ( 13.283 -1.594 0.000) 13.378 11.080 ( -1.459 1.555 0.000) 2.132 11.129 ( -6.162 -10.016 0.000) 11.759 11.323 ( -6.541 -2.048 0.000) 6.854 12.024 ( 17.996 -26.827 0.000) 32.304 12.029 ( 11.714 -20.307 0.000) 23.444 12.494 ( 6.590 1.803 0.000) 6.832 12.979 ( 7.381 18.443 0.000) 19.865 13.001 ( -10.321 1.454 0.000) 10.423 13.273 ( 4.760 -8.645 0.000) 9.869 13.408 ( 5.180 4.166 0.000) 6.648 13.454 ( 5.672 5.226 0.000) 7.713 13.518 ( -1.386 7.382 0.000) 7.511 14.145 ( -9.599 7.765 0.000) 12.347 14.383 ( 4.053 -3.741 0.000) 5.515 14.684 ( -4.666 -2.418 0.000) 5.255 14.806 ( 1.514 -6.716 0.000) 6.885 14.990 ( 4.006 -9.958 0.000) 10.734 15.986 ( -3.057 -5.280 0.000) 6.101 16.135 ( -25.556 17.411 0.000) 30.923 16.942 ( 1.826 -5.582 0.000) 5.873 17.021 ( 1.183 0.737 0.000) 1.393 17.186 ( 0.428 5.632 0.000) 5.648 17.289 ( -1.553 0.307 0.000) 1.583 17.296 ( 12.891 -7.471 0.000) 14.900 17.846 ( -4.835 -2.546 0.000) 5.464 18.589 ( 0.001 3.636 0.000) 3.636 18.695 ( -3.658 1.693 0.000) 4.031 19.029 ( 7.234 -0.688 0.000) 7.266 19.341 ( 1.939 -6.865 0.000) 7.134 27.526 ( 0.165 -0.394 0.000) 0.427 27.552 ( -0.413 -0.823 0.000) 0.921 27.629 ( 1.168 -0.375 0.000) 1.227 27.720 ( -0.985 -0.755 0.000) 1.241 28.605 ( -0.120 5.671 0.000) 5.672 29.239 ( -45.133 36.752 0.000) 58.204 29.543 ( 3.362 -9.607 0.000) 10.179 29.867 ( -6.304 -0.646 0.000) 6.337 30.189 ( 3.950 15.453 0.000) 15.950 30.620 ( -5.121 16.492 0.000) 17.269 31.459 ( 0.447 1.470 0.000) 1.536 31.503 ( -0.750 -0.041 0.000) 0.751 31.826 ( 4.063 -0.665 0.000) 4.117 32.090 ( -0.626 -4.839 0.000) 4.880 32.986 ( 33.685 -34.903 0.000) 48.507 33.461 ( -0.494 -10.120 0.000) 10.132 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 36.009 15.268 0.000) 39.112 1.969 ( 36.684 15.349 0.000) 39.766 2.699 ( -33.454 11.493 0.000) 35.374 2.743 ( -29.758 15.365 0.000) 33.491 3.340 ( 50.399 31.798 0.000) 59.592 4.361 ( -48.064 20.431 0.000) 52.226 4.740 ( 12.770 13.047 0.000) 18.257 4.969 ( -9.746 10.713 0.000) 14.483 5.498 ( 15.488 -8.959 0.000) 17.893 5.594 ( 2.700 -17.779 0.000) 17.983 5.836 ( 5.752 -16.280 0.000) 17.266 5.916 ( 3.215 -13.235 0.000) 13.620 6.232 ( -2.207 7.809 0.000) 8.115 6.264 ( -5.463 11.887 0.000) 13.082 6.510 ( -2.954 12.375 0.000) 12.722 6.563 ( -8.763 14.051 0.000) 16.560 6.671 ( 1.103 1.695 0.000) 2.023 6.751 ( -6.316 1.460 0.000) 6.482 7.026 ( 8.216 4.468 0.000) 9.352 7.102 ( -1.384 -3.565 0.000) 3.824 7.178 ( -5.995 6.446 0.000) 8.803 7.183 ( -7.692 -8.027 0.000) 11.118 7.749 ( 8.335 -0.447 0.000) 8.347 7.842 ( -2.068 -3.369 0.000) 3.953 8.004 ( 3.377 9.208 0.000) 9.808 8.112 ( -5.853 5.679 0.000) 8.156 8.218 ( 5.273 -0.333 0.000) 5.284 8.329 ( -5.395 2.533 0.000) 5.960 8.833 ( 12.460 0.841 0.000) 12.489 9.017 ( -4.254 1.629 0.000) 4.555 9.214 ( 11.736 2.535 0.000) 12.006 9.234 ( 6.775 -3.001 0.000) 7.410 9.486 ( -7.008 -2.405 0.000) 7.409 9.507 ( -6.702 1.061 0.000) 6.785 9.710 ( 7.108 -9.944 0.000) 12.223 9.974 ( -15.340 -7.018 0.000) 16.869 10.278 ( 2.598 2.720 0.000) 3.761 10.367 ( -5.673 0.472 0.000) 5.693 10.855 ( 9.778 -2.213 0.000) 10.026 11.005 ( -6.125 -5.322 0.000) 8.114 11.124 ( 4.255 -3.619 0.000) 5.586 11.218 ( -4.945 -3.477 0.000) 6.045 12.195 ( 4.374 -22.406 0.000) 22.829 12.205 ( 3.255 -22.567 0.000) 22.801 12.641 ( 7.832 0.571 0.000) 7.853 12.807 ( -9.168 1.189 0.000) 9.245 13.174 ( 10.629 9.371 0.000) 14.170 13.311 ( -2.026 -5.459 0.000) 5.822 13.434 ( 1.008 5.729 0.000) 5.817 13.473 ( -2.809 8.305 0.000) 8.767 13.657 ( 11.995 9.626 0.000) 15.380 13.912 ( -13.209 13.086 0.000) 18.594 14.487 ( 5.986 -3.828 0.000) 7.105 14.597 ( -4.842 -3.654 0.000) 6.066 14.857 ( 3.837 -5.485 0.000) 6.694 14.957 ( -5.500 -5.487 0.000) 7.769 15.881 ( -2.674 4.880 0.000) 5.564 15.912 ( -3.784 -2.540 0.000) 4.557 16.986 ( 2.300 -3.718 0.000) 4.371 17.022 ( -1.120 -1.277 0.000) 1.698 17.205 ( 1.558 3.401 0.000) 3.741 17.246 ( -2.407 1.314 0.000) 2.742 17.518 ( 10.503 -4.724 0.000) 11.516 17.710 ( -8.653 -3.265 0.000) 9.249 18.600 ( 1.142 2.947 0.000) 3.161 18.634 ( -2.375 2.458 0.000) 3.418 19.180 ( 7.554 -2.448 0.000) 7.941 19.307 ( -4.742 -4.816 0.000) 6.758 27.531 ( 0.411 -0.782 0.000) 0.884 27.541 ( -0.563 -0.890 0.000) 1.053 27.659 ( 1.753 -0.584 0.000) 1.847 27.693 ( -1.646 -0.739 0.000) 1.804 28.619 ( 2.230 11.065 0.000) 11.288 28.738 ( -11.763 22.517 0.000) 25.404 29.633 ( 5.408 -7.661 0.000) 9.378 29.747 ( -6.019 -4.635 0.000) 7.597 30.324 ( 8.135 14.310 0.000) 16.461 30.487 ( -7.933 15.513 0.000) 17.424 31.471 ( 0.690 1.562 0.000) 1.707 31.486 ( -0.853 1.148 0.000) 1.430 31.925 ( 5.505 -2.011 0.000) 5.861 32.028 ( -4.629 -3.045 0.000) 5.541 33.346 ( 8.462 -21.001 0.000) 22.642 33.438 ( -2.213 -13.252 0.000) 13.435 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 41.791 0.000) 41.791 1.951 ( 0.000 44.968 0.000) 44.968 3.143 ( 0.000 65.576 0.000) 65.576 3.881 ( 0.000 11.606 0.000) 11.606 3.976 ( 0.000 11.171 0.000) 11.171 4.654 ( 0.000 17.748 0.000) 17.748 4.716 ( 0.000 -1.524 0.000) 1.524 5.071 ( 0.000 -11.430 0.000) 11.430 5.072 ( 0.000 -30.747 0.000) 30.747 5.324 ( 0.000 -24.292 0.000) 24.292 5.548 ( 0.000 17.308 0.000) 17.308 5.817 ( 0.000 11.628 0.000) 11.628 6.262 ( 0.000 -7.929 0.000) 7.929 6.586 ( 0.000 -0.500 0.000) 0.500 6.793 ( 0.000 -4.269 0.000) 4.269 6.822 ( 0.000 -2.147 0.000) 2.147 6.912 ( 0.000 18.198 0.000) 18.198 7.062 ( 0.000 11.944 0.000) 11.944 7.172 ( 0.000 -17.686 0.000) 17.686 7.175 ( 0.000 14.114 0.000) 14.114 7.338 ( 0.000 5.681 0.000) 5.681 7.457 ( 0.000 9.106 0.000) 9.106 7.698 ( 0.000 -8.844 0.000) 8.844 7.747 ( 0.000 4.000 0.000) 4.000 7.871 ( 0.000 -3.006 0.000) 3.006 8.298 ( 0.000 9.459 0.000) 9.459 8.438 ( 0.000 2.894 0.000) 2.894 8.468 ( 0.000 16.650 0.000) 16.650 8.570 ( 0.000 20.425 0.000) 20.425 9.010 ( 0.000 -0.524 0.000) 0.524 9.075 ( 0.000 4.852 0.000) 4.852 9.210 ( 0.000 11.183 0.000) 11.183 9.290 ( 0.000 -4.332 0.000) 4.332 9.689 ( 0.000 1.487 0.000) 1.487 9.881 ( 0.000 -11.199 0.000) 11.199 10.099 ( 0.000 -2.398 0.000) 2.398 10.238 ( 0.000 -9.420 0.000) 9.420 10.296 ( 0.000 -5.764 0.000) 5.764 10.374 ( 0.000 -11.075 0.000) 11.075 10.911 ( 0.000 -15.663 0.000) 15.663 11.110 ( 0.000 -4.635 0.000) 4.635 11.296 ( 0.000 -7.733 0.000) 7.733 11.442 ( 0.000 -7.749 0.000) 7.749 11.516 ( 0.000 -15.286 0.000) 15.286 12.524 ( 0.000 5.723 0.000) 5.723 13.085 ( 0.000 -5.910 0.000) 5.910 13.143 ( 0.000 3.441 0.000) 3.441 13.263 ( 0.000 0.724 0.000) 0.724 13.430 ( 0.000 16.738 0.000) 16.738 13.585 ( 0.000 9.970 0.000) 9.970 13.707 ( 0.000 9.189 0.000) 9.189 14.228 ( 0.000 -6.766 0.000) 6.766 14.273 ( 0.000 1.222 0.000) 1.222 14.593 ( 0.000 -10.904 0.000) 10.904 14.648 ( 0.000 -8.610 0.000) 8.610 14.717 ( 0.000 -7.214 0.000) 7.214 15.899 ( 0.000 -3.203 0.000) 3.203 16.718 ( 0.000 -0.495 0.000) 0.495 16.761 ( 0.000 -9.546 0.000) 9.546 16.878 ( 0.000 -1.996 0.000) 1.996 17.135 ( 0.000 5.445 0.000) 5.445 17.322 ( 0.000 0.825 0.000) 0.825 17.326 ( 0.000 6.851 0.000) 6.851 17.823 ( 0.000 -4.277 0.000) 4.277 18.709 ( 0.000 6.250 0.000) 6.250 18.777 ( 0.000 1.749 0.000) 1.749 18.939 ( 0.000 -0.429 0.000) 0.429 19.208 ( 0.000 -4.139 0.000) 4.139 27.526 ( 0.000 0.315 0.000) 0.315 27.549 ( 0.000 0.419 0.000) 0.419 27.606 ( 0.000 -0.679 0.000) 0.679 27.708 ( 0.000 -1.354 0.000) 1.354 28.714 ( 0.000 5.549 0.000) 5.549 29.291 ( 0.000 -9.621 0.000) 9.621 29.879 ( 0.000 -0.553 0.000) 0.553 29.950 ( 0.000 -2.165 0.000) 2.165 30.821 ( 0.000 8.640 0.000) 8.640 31.053 ( 0.000 16.690 0.000) 16.690 31.440 ( 0.000 -1.151 0.000) 1.151 31.482 ( 0.000 -1.661 0.000) 1.661 31.771 ( 0.000 0.240 0.000) 0.240 31.821 ( 0.000 4.484 0.000) 4.484 32.204 ( 0.000 -5.975 0.000) 5.975 33.193 ( 0.000 -15.878 0.000) 15.878 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 20.314 36.408 0.000) 41.692 2.068 ( 12.567 41.388 0.000) 43.254 3.443 ( 24.055 53.654 0.000) 58.799 3.579 ( -24.765 14.547 0.000) 28.721 3.693 ( -19.735 17.387 0.000) 26.302 4.842 ( 12.783 18.488 0.000) 22.477 4.909 ( 13.122 -5.694 0.000) 14.304 4.982 ( -0.892 -21.851 0.000) 21.869 5.256 ( 8.008 -19.018 0.000) 20.636 5.320 ( 0.079 -24.035 0.000) 24.035 5.539 ( -0.581 17.424 0.000) 17.433 5.624 ( -15.869 11.867 0.000) 19.815 6.299 ( 3.699 -5.974 0.000) 7.026 6.572 ( -1.382 5.176 0.000) 5.357 6.723 ( -6.770 -6.715 0.000) 9.536 6.821 ( -2.841 -4.847 0.000) 5.618 6.869 ( -5.011 14.914 0.000) 15.733 7.022 ( 2.752 6.972 0.000) 7.496 7.065 ( -9.014 13.184 0.000) 15.971 7.195 ( -0.823 -1.407 0.000) 1.630 7.253 ( -14.678 2.378 0.000) 14.870 7.419 ( 4.501 9.170 0.000) 10.215 7.694 ( 2.174 7.673 0.000) 7.975 7.792 ( -3.735 -1.568 0.000) 4.051 7.893 ( 8.497 -6.216 0.000) 10.528 8.273 ( -3.391 5.193 0.000) 6.202 8.362 ( -3.338 9.179 0.000) 9.767 8.535 ( 2.765 12.560 0.000) 12.861 8.675 ( 6.895 7.832 0.000) 10.434 9.068 ( 5.539 0.807 0.000) 5.597 9.096 ( 1.446 5.020 0.000) 5.224 9.175 ( 1.956 7.320 0.000) 7.577 9.394 ( 5.827 -2.661 0.000) 6.406 9.631 ( -15.918 -9.399 0.000) 18.486 9.649 ( -3.720 2.262 0.000) 4.353 10.039 ( -6.855 -6.450 0.000) 9.412 10.291 ( 0.836 -12.429 0.000) 12.457 10.293 ( -0.516 -2.492 0.000) 2.545 10.557 ( 14.692 -5.554 0.000) 15.707 10.886 ( -1.247 -12.372 0.000) 12.434 11.047 ( -4.063 -3.093 0.000) 5.106 11.219 ( -5.803 -6.931 0.000) 9.039 11.599 ( 10.932 -15.271 0.000) 18.781 11.624 ( 7.741 -17.685 0.000) 19.305 12.570 ( 4.503 4.937 0.000) 6.683 13.046 ( -9.614 2.671 0.000) 9.978 13.122 ( 3.294 -6.542 0.000) 7.325 13.206 ( 0.050 3.198 0.000) 3.199 13.588 ( 2.103 7.915 0.000) 8.189 13.632 ( 12.357 14.740 0.000) 19.234 13.697 ( -1.022 9.248 0.000) 9.305 14.230 ( -4.240 2.209 0.000) 4.781 14.271 ( 4.117 -6.602 0.000) 7.781 14.579 ( -4.327 -6.801 0.000) 8.061 14.618 ( 2.592 -10.388 0.000) 10.706 14.784 ( 3.267 -9.612 0.000) 10.152 15.894 ( -0.304 -1.559 0.000) 1.589 16.387 ( -21.167 8.441 0.000) 22.788 16.792 ( 2.987 -9.033 0.000) 9.514 16.985 ( 1.565 -4.703 0.000) 4.956 17.228 ( 8.509 1.074 0.000) 8.576 17.310 ( -0.846 1.238 0.000) 1.499 17.312 ( -1.228 6.093 0.000) 6.215 17.771 ( -5.195 -4.333 0.000) 6.765 18.697 ( -0.728 6.183 0.000) 6.225 18.745 ( -2.276 2.862 0.000) 3.656 19.003 ( 5.226 -1.770 0.000) 5.518 19.220 ( 0.365 -5.304 0.000) 5.316 27.527 ( 0.128 0.460 0.000) 0.477 27.546 ( -0.346 0.502 0.000) 0.610 27.617 ( 1.016 -0.749 0.000) 1.262 27.698 ( -0.918 -1.276 0.000) 1.573 28.745 ( 3.357 6.952 0.000) 7.721 29.339 ( 4.803 -9.028 0.000) 10.226 29.615 ( -25.356 6.647 0.000) 26.212 29.836 ( -9.239 -2.110 0.000) 9.477 30.613 ( -3.016 20.214 0.000) 20.437 30.994 ( -5.546 16.759 0.000) 17.653 31.494 ( 1.520 1.223 0.000) 1.951 31.500 ( 1.372 -0.397 0.000) 1.428 31.837 ( 1.632 2.863 0.000) 3.295 31.961 ( 3.918 -6.296 0.000) 7.415 32.453 ( 24.156 -17.333 0.000) 29.731 33.169 ( -2.538 -16.737 0.000) 16.928 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 26.502 27.123 0.000) 37.921 2.433 ( 22.188 30.709 0.000) 37.886 3.051 ( -25.523 21.128 0.000) 33.133 3.115 ( -28.004 20.179 0.000) 34.517 4.169 ( 37.934 40.880 0.000) 55.768 4.837 ( -21.955 11.683 0.000) 24.870 5.036 ( -0.615 12.083 0.000) 12.099 5.053 ( 0.742 -11.292 0.000) 11.316 5.202 ( 3.945 -12.556 0.000) 13.161 5.316 ( -2.849 -11.903 0.000) 12.239 5.565 ( 5.473 -11.788 0.000) 12.997 5.570 ( 3.946 3.391 0.000) 5.203 6.395 ( 5.231 1.299 0.000) 5.390 6.492 ( -5.865 5.018 0.000) 7.719 6.612 ( -3.070 -4.338 0.000) 5.314 6.676 ( -10.854 -0.348 0.000) 10.860 6.778 ( 2.016 3.809 0.000) 4.310 6.897 ( -8.464 15.550 0.000) 17.704 7.073 ( -1.594 4.918 0.000) 5.170 7.109 ( -2.428 2.178 0.000) 3.262 7.206 ( 9.003 12.110 0.000) 15.090 7.391 ( -7.112 11.834 0.000) 13.807 7.764 ( 2.942 1.212 0.000) 3.182 7.776 ( 0.813 -2.314 0.000) 2.453 8.045 ( 6.994 -2.380 0.000) 7.388 8.175 ( -6.118 1.632 0.000) 6.332 8.370 ( 4.439 10.246 0.000) 11.166 8.492 ( -5.981 10.915 0.000) 12.446 8.825 ( 8.829 -1.210 0.000) 8.911 9.016 ( -9.038 -2.478 0.000) 9.372 9.201 ( 7.084 0.903 0.000) 7.142 9.302 ( 1.055 4.513 0.000) 4.635 9.446 ( 2.437 -0.693 0.000) 2.533 9.522 ( 9.697 -5.376 0.000) 11.088 9.556 ( -5.412 3.959 0.000) 6.706 9.809 ( -15.539 -8.071 0.000) 17.510 10.287 ( 0.161 -2.249 0.000) 2.255 10.293 ( -0.259 -7.473 0.000) 7.477 10.823 ( 10.629 -1.350 0.000) 10.714 10.889 ( 0.983 -5.285 0.000) 5.376 10.988 ( -1.051 -8.303 0.000) 8.369 11.083 ( -7.937 -8.566 0.000) 11.677 11.748 ( 3.835 -19.469 0.000) 19.843 11.752 ( 3.759 -19.281 0.000) 19.644 12.690 ( 7.320 3.728 0.000) 8.215 12.854 ( -9.214 3.178 0.000) 9.747 13.187 ( 2.638 -6.029 0.000) 6.580 13.214 ( -0.121 -2.286 0.000) 2.290 13.622 ( 2.166 9.781 0.000) 10.018 13.666 ( -2.027 9.554 0.000) 9.767 13.895 ( 12.655 10.620 0.000) 16.521 14.106 ( -8.461 5.574 0.000) 10.132 14.375 ( 5.967 -6.363 0.000) 8.723 14.488 ( -5.149 -6.314 0.000) 8.147 14.696 ( 5.134 -9.255 0.000) 10.584 14.790 ( -3.036 -9.643 0.000) 10.110 15.907 ( 2.434 3.380 0.000) 4.165 16.040 ( -12.242 9.717 0.000) 15.630 16.870 ( 4.590 -7.563 0.000) 8.847 16.955 ( -3.556 -5.586 0.000) 6.622 17.285 ( -0.508 2.250 0.000) 2.307 17.288 ( -0.874 4.272 0.000) 4.360 17.430 ( 10.393 -2.783 0.000) 10.759 17.627 ( -9.042 -4.152 0.000) 9.950 18.692 ( 0.278 5.458 0.000) 5.465 18.708 ( -1.321 4.327 0.000) 4.524 19.112 ( 5.301 -3.843 0.000) 6.548 19.196 ( -2.902 -5.418 0.000) 6.146 27.531 ( 0.262 0.676 0.000) 0.724 27.538 ( -0.400 0.666 0.000) 0.777 27.643 ( 1.544 -0.905 0.000) 1.790 27.674 ( -1.482 -1.097 0.000) 1.844 28.862 ( 9.095 10.610 0.000) 13.975 29.136 ( -19.455 13.698 0.000) 23.794 29.470 ( 8.132 -7.256 0.000) 10.899 29.648 ( -9.535 -4.591 0.000) 10.583 30.692 ( 7.655 18.799 0.000) 20.298 30.854 ( -8.150 17.552 0.000) 19.351 31.514 ( 0.680 2.093 0.000) 2.201 31.519 ( 0.322 1.494 0.000) 1.529 31.886 ( 3.176 -0.655 0.000) 3.243 31.949 ( -2.828 -3.671 0.000) 4.634 32.867 ( 15.575 -22.124 0.000) 27.057 33.080 ( -6.915 -19.237 0.000) 20.442 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 0.000 42.101 0.000) 42.101 2.879 ( 0.000 42.098 0.000) 42.098 4.072 ( 0.000 8.233 0.000) 8.233 4.124 ( 0.000 9.853 0.000) 9.853 4.341 ( 0.000 -35.648 0.000) 35.648 4.407 ( 0.000 24.212 0.000) 24.212 4.659 ( 0.000 -12.316 0.000) 12.316 4.662 ( 0.000 -3.971 0.000) 3.971 4.895 ( 0.000 1.605 0.000) 1.605 5.219 ( 0.000 19.922 0.000) 19.922 5.843 ( 0.000 5.900 0.000) 5.900 6.010 ( 0.000 -15.007 0.000) 15.007 6.188 ( 0.000 21.700 0.000) 21.700 6.515 ( 0.000 -3.885 0.000) 3.885 6.606 ( 0.000 -7.612 0.000) 7.612 6.758 ( 0.000 -5.549 0.000) 5.549 6.794 ( 0.000 -16.340 0.000) 16.340 7.118 ( 0.000 -16.545 0.000) 16.545 7.274 ( 0.000 14.064 0.000) 14.064 7.405 ( 0.000 15.576 0.000) 15.576 7.440 ( 0.000 3.997 0.000) 3.997 7.593 ( 0.000 4.021 0.000) 4.021 7.690 ( 0.000 2.843 0.000) 2.843 7.792 ( 0.000 -4.615 0.000) 4.615 7.943 ( 0.000 13.428 0.000) 13.428 8.428 ( 0.000 -4.802 0.000) 4.802 8.539 ( 0.000 13.537 0.000) 13.537 8.879 ( 0.000 19.045 0.000) 19.045 8.981 ( 0.000 17.308 0.000) 17.308 9.114 ( 0.000 9.973 0.000) 9.973 9.179 ( 0.000 -4.233 0.000) 4.233 9.195 ( 0.000 6.464 0.000) 6.464 9.471 ( 0.000 13.212 0.000) 13.212 9.613 ( 0.000 -13.109 0.000) 13.109 9.749 ( 0.000 3.744 0.000) 3.744 9.944 ( 0.000 -18.242 0.000) 18.242 10.057 ( 0.000 0.534 0.000) 0.534 10.092 ( 0.000 -14.744 0.000) 14.744 10.112 ( 0.000 -11.506 0.000) 11.506 10.570 ( 0.000 -16.283 0.000) 16.283 11.063 ( 0.000 0.630 0.000) 0.630 11.145 ( 0.000 -5.665 0.000) 5.665 11.223 ( 0.000 -11.140 0.000) 11.140 11.276 ( 0.000 -7.593 0.000) 7.593 12.659 ( 0.000 6.833 0.000) 6.833 12.952 ( 0.000 -6.573 0.000) 6.573 13.195 ( 0.000 2.071 0.000) 2.071 13.263 ( 0.000 -0.725 0.000) 0.725 13.688 ( 0.000 9.286 0.000) 9.286 13.868 ( 0.000 13.839 0.000) 13.839 13.915 ( 0.000 10.340 0.000) 10.340 14.064 ( 0.000 -8.440 0.000) 8.440 14.285 ( 0.000 -1.630 0.000) 1.630 14.355 ( 0.000 -11.157 0.000) 11.157 14.467 ( 0.000 -6.408 0.000) 6.408 14.568 ( 0.000 -6.415 0.000) 6.415 15.940 ( 0.000 7.526 0.000) 7.526 16.509 ( 0.000 -14.011 0.000) 14.011 16.725 ( 0.000 1.182 0.000) 1.182 16.825 ( 0.000 -2.838 0.000) 2.838 17.243 ( 0.000 4.389 0.000) 4.389 17.334 ( 0.000 0.007 0.000) 0.007 17.468 ( 0.000 6.486 0.000) 6.486 17.720 ( 0.000 -5.346 0.000) 5.346 18.821 ( 0.000 2.310 0.000) 2.310 18.847 ( 0.000 6.554 0.000) 6.554 18.917 ( 0.000 -1.676 0.000) 1.676 19.105 ( 0.000 -5.401 0.000) 5.401 27.539 ( 0.000 0.905 0.000) 0.905 27.576 ( 0.000 1.958 0.000) 1.958 27.588 ( 0.000 -1.077 0.000) 1.077 27.672 ( 0.000 -1.993 0.000) 1.993 28.834 ( 0.000 5.767 0.000) 5.767 29.108 ( 0.000 -7.651 0.000) 7.651 29.869 ( 0.000 -0.225 0.000) 0.225 29.905 ( 0.000 -1.897 0.000) 1.897 31.023 ( 0.000 9.942 0.000) 9.942 31.311 ( 0.000 7.187 0.000) 7.187 31.375 ( 0.000 -5.180 0.000) 5.180 31.444 ( 0.000 -1.859 0.000) 1.859 31.810 ( 0.000 3.624 0.000) 3.624 32.023 ( 0.000 14.705 0.000) 14.705 32.063 ( 0.000 -7.021 0.000) 7.021 32.815 ( 0.000 -19.174 0.000) 19.174 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 12.852 39.177 0.000) 41.231 2.948 ( 7.095 40.764 0.000) 41.377 3.924 ( -17.090 17.684 0.000) 24.592 3.967 ( -14.362 13.846 0.000) 19.949 4.358 ( 3.028 -34.483 0.000) 34.615 4.397 ( 6.892 8.613 0.000) 11.031 4.707 ( -1.933 -15.229 0.000) 15.351 4.746 ( 4.884 -20.154 0.000) 20.737 4.997 ( 12.220 15.914 0.000) 20.064 5.336 ( 10.714 19.641 0.000) 22.374 5.859 ( 1.310 8.572 0.000) 8.672 6.033 ( -13.734 23.024 0.000) 26.809 6.077 ( 6.750 -13.797 0.000) 15.360 6.522 ( -7.140 -8.370 0.000) 11.002 6.577 ( 1.025 -4.677 0.000) 4.788 6.713 ( 2.346 -4.064 0.000) 4.692 6.893 ( -15.711 -11.832 0.000) 19.669 6.905 ( 8.024 -10.261 0.000) 13.026 7.340 ( 0.434 12.273 0.000) 12.281 7.435 ( -11.431 9.952 0.000) 15.156 7.438 ( 3.207 14.343 0.000) 14.697 7.588 ( 11.085 5.092 0.000) 12.199 7.764 ( -1.892 -2.177 0.000) 2.884 7.811 ( 7.933 -1.360 0.000) 8.048 7.885 ( -4.890 10.757 0.000) 11.816 8.379 ( -3.160 -6.191 0.000) 6.951 8.447 ( -8.344 11.726 0.000) 14.392 8.829 ( -5.006 11.508 0.000) 12.550 8.922 ( -3.279 13.744 0.000) 14.130 9.116 ( -6.429 -4.429 0.000) 7.807 9.178 ( 3.935 7.282 0.000) 8.277 9.274 ( 5.736 6.935 0.000) 9.000 9.393 ( -8.666 -6.977 0.000) 11.125 9.557 ( 3.051 9.919 0.000) 10.377 9.730 ( -1.803 4.761 0.000) 5.091 9.890 ( -10.297 -5.665 0.000) 11.752 9.986 ( 4.931 -14.599 0.000) 15.409 10.213 ( 3.126 -3.798 0.000) 4.919 10.336 ( 16.551 -15.168 0.000) 22.450 10.607 ( 3.718 -14.542 0.000) 15.010 11.026 ( -3.252 2.072 0.000) 3.856 11.086 ( -4.555 -3.983 0.000) 6.051 11.290 ( 4.821 -13.133 0.000) 13.990 11.326 ( 4.037 -10.862 0.000) 11.588 12.693 ( 3.433 6.445 0.000) 7.302 12.982 ( 2.862 -6.731 0.000) 7.314 13.108 ( -8.047 2.989 0.000) 8.584 13.212 ( -3.395 -1.378 0.000) 3.664 13.758 ( 4.428 8.197 0.000) 9.317 13.904 ( -1.116 10.118 0.000) 10.179 13.928 ( 5.966 11.420 0.000) 12.885 14.117 ( 5.096 -7.226 0.000) 8.842 14.251 ( -3.239 -1.561 0.000) 3.595 14.389 ( 3.478 -10.803 0.000) 11.349 14.437 ( -2.575 -4.599 0.000) 5.271 14.591 ( 1.155 -8.209 0.000) 8.290 15.970 ( 3.139 8.882 0.000) 9.421 16.546 ( -13.375 7.112 0.000) 15.148 16.550 ( 4.007 -13.593 0.000) 14.172 16.853 ( -0.837 -7.040 0.000) 7.090 17.280 ( 3.660 2.834 0.000) 4.629 17.332 ( 0.174 0.584 0.000) 0.609 17.439 ( -2.659 5.845 0.000) 6.421 17.670 ( -4.830 -5.047 0.000) 6.986 18.812 ( -0.475 3.426 0.000) 3.459 18.836 ( -0.909 6.647 0.000) 6.709 18.954 ( 3.145 -2.837 0.000) 4.236 19.103 ( -0.490 -5.786 0.000) 5.807 27.544 ( 0.450 1.062 0.000) 1.154 27.573 ( -0.262 1.950 0.000) 1.967 27.597 ( 0.886 -1.142 0.000) 1.445 27.665 ( -0.705 -1.860 0.000) 1.990 28.887 ( 5.439 6.423 0.000) 8.416 29.166 ( 5.787 -7.363 0.000) 9.365 29.695 ( -15.923 2.306 0.000) 16.089 29.786 ( -10.503 -2.394 0.000) 10.772 30.992 ( 0.982 15.674 0.000) 15.705 31.270 ( -3.594 8.819 0.000) 9.523 31.466 ( 4.499 -4.990 0.000) 6.719 31.472 ( 2.161 -2.424 0.000) 3.247 31.884 ( 4.106 0.295 0.000) 4.117 32.005 ( -1.679 13.385 0.000) 13.490 32.165 ( 11.418 -10.906 0.000) 15.790 32.779 ( -3.789 -19.486 0.000) 19.851 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 18.435 32.617 0.000) 37.466 3.148 ( 11.649 35.343 0.000) 37.213 3.567 ( -16.475 26.763 0.000) 31.427 3.595 ( -19.541 24.404 0.000) 31.263 4.457 ( 6.619 -29.196 0.000) 29.937 4.596 ( -3.198 -28.096 0.000) 28.277 4.618 ( 7.437 -11.589 0.000) 13.770 4.769 ( -3.359 -26.547 0.000) 26.759 5.309 ( 17.400 26.350 0.000) 31.577 5.551 ( 4.062 23.184 0.000) 23.537 5.752 ( -8.079 21.577 0.000) 23.040 5.847 ( -4.739 14.322 0.000) 15.086 6.261 ( 10.957 -11.172 0.000) 15.649 6.400 ( -1.147 -9.246 0.000) 9.317 6.482 ( -8.109 -8.841 0.000) 11.997 6.578 ( -14.547 -9.922 0.000) 17.609 6.895 ( 12.725 5.742 0.000) 13.960 7.101 ( 10.979 -4.022 0.000) 11.692 7.168 ( -14.373 9.782 0.000) 17.386 7.282 ( -6.440 7.958 0.000) 10.237 7.525 ( 5.779 14.743 0.000) 15.835 7.665 ( -6.433 13.943 0.000) 15.355 7.759 ( 1.728 0.519 0.000) 1.804 7.794 ( -0.688 3.221 0.000) 3.294 8.019 ( 11.319 0.086 0.000) 11.319 8.247 ( -11.281 6.231 0.000) 12.888 8.415 ( 8.672 -7.437 0.000) 11.424 8.658 ( -12.585 -0.267 0.000) 12.587 8.893 ( 0.641 8.774 0.000) 8.798 8.958 ( -6.460 1.333 0.000) 6.596 9.236 ( 1.887 -0.653 0.000) 1.997 9.262 ( -1.513 -7.182 0.000) 7.340 9.473 ( 9.806 5.689 0.000) 11.336 9.625 ( 3.227 9.485 0.000) 10.019 9.679 ( -10.200 -1.711 0.000) 10.343 9.684 ( -3.331 6.982 0.000) 7.736 10.105 ( 6.230 -7.101 0.000) 9.447 10.205 ( -3.386 -3.108 0.000) 4.596 10.619 ( 10.664 -17.218 0.000) 20.253 10.690 ( 2.949 -15.421 0.000) 15.701 10.957 ( -2.746 5.126 0.000) 5.816 10.982 ( -5.136 1.613 0.000) 5.383 11.375 ( 3.003 -15.377 0.000) 15.667 11.390 ( 1.566 -14.828 0.000) 14.910 12.790 ( 6.287 5.564 0.000) 8.396 12.937 ( -8.403 4.494 0.000) 9.529 13.055 ( 4.208 -6.393 0.000) 7.654 13.138 ( -4.100 -4.397 0.000) 6.012 13.826 ( 2.767 9.270 0.000) 9.674 13.873 ( -1.995 9.724 0.000) 9.927 14.061 ( 6.389 4.217 0.000) 7.655 14.170 ( -4.783 -0.165 0.000) 4.786 14.244 ( 6.974 -4.472 0.000) 8.285 14.365 ( -4.948 -3.460 0.000) 6.038 14.485 ( 5.694 -10.110 0.000) 11.603 14.578 ( -2.920 -9.696 0.000) 10.126 16.073 ( 7.569 11.724 0.000) 13.955 16.275 ( -12.770 12.102 0.000) 17.593 16.657 ( 6.414 -12.358 0.000) 13.923 16.783 ( -5.676 -10.297 0.000) 11.758 17.335 ( 1.531 2.292 0.000) 2.756 17.379 ( -2.968 4.218 0.000) 5.157 17.398 ( 6.700 -0.838 0.000) 6.752 17.544 ( -7.466 -3.712 0.000) 8.338 18.810 ( 0.215 5.078 0.000) 5.082 18.819 ( -0.703 6.246 0.000) 6.285 19.021 ( 3.389 -4.624 0.000) 5.733 19.078 ( -2.136 -5.776 0.000) 6.158 27.555 ( 0.602 1.444 0.000) 1.564 27.566 ( -0.481 1.805 0.000) 1.868 27.620 ( 1.335 -1.319 0.000) 1.877 27.646 ( -1.225 -1.580 0.000) 1.999 29.054 ( 11.543 7.603 0.000) 13.821 29.327 ( 10.204 -6.303 0.000) 11.994 29.343 ( -17.428 6.856 0.000) 18.728 29.553 ( -12.226 -4.344 0.000) 12.975 31.071 ( 5.658 16.133 0.000) 17.096 31.182 ( -5.211 12.625 0.000) 13.658 31.509 ( 1.309 -3.147 0.000) 3.408 31.515 ( 0.869 -3.375 0.000) 3.485 31.930 ( 1.540 3.477 0.000) 3.803 31.965 ( -2.075 9.297 0.000) 9.525 32.439 ( 13.664 -18.032 0.000) 22.624 32.659 ( -8.474 -19.834 0.000) 21.569 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 0.000 -40.684 0.000) 40.684 3.494 ( 0.000 40.684 0.000) 40.684 3.707 ( 0.000 -34.320 0.000) 34.320 3.707 ( 0.000 34.320 0.000) 34.320 4.390 ( 0.000 -12.268 0.000) 12.268 4.390 ( 0.000 12.268 0.000) 12.268 4.541 ( 0.000 -6.610 0.000) 6.610 4.541 ( 0.000 6.610 0.000) 6.610 5.561 ( 0.000 -31.807 0.000) 31.807 5.561 ( 0.000 31.807 0.000) 31.807 5.644 ( 0.000 -19.119 0.000) 19.119 5.644 ( 0.000 19.119 0.000) 19.119 6.515 ( 0.000 -1.690 0.000) 1.690 6.515 ( 0.000 1.690 0.000) 1.690 6.630 ( 0.000 -3.262 0.000) 3.262 6.630 ( 0.000 3.262 0.000) 3.262 6.678 ( 0.000 -23.197 0.000) 23.197 6.678 ( 0.000 23.197 0.000) 23.197 7.460 ( 0.000 -3.132 0.000) 3.132 7.460 ( 0.000 3.132 0.000) 3.132 7.659 ( 0.000 -8.519 0.000) 8.519 7.659 ( 0.000 8.519 0.000) 8.519 7.672 ( 0.000 -3.522 0.000) 3.522 7.672 ( 0.000 3.522 0.000) 3.522 8.236 ( 0.000 -12.566 0.000) 12.566 8.236 ( 0.000 12.566 0.000) 12.566 8.851 ( 0.000 -14.080 0.000) 14.080 8.851 ( 0.000 14.080 0.000) 14.080 9.234 ( 0.000 -3.780 0.000) 3.780 9.234 ( 0.000 3.780 0.000) 3.780 9.350 ( 0.000 -6.540 0.000) 6.540 9.350 ( 0.000 6.540 0.000) 6.540 9.489 ( 0.000 -20.132 0.000) 20.132 9.489 ( 0.000 20.132 0.000) 20.132 9.777 ( 0.000 -14.291 0.000) 14.291 9.777 ( 0.000 14.291 0.000) 14.291 9.864 ( 0.000 -9.390 0.000) 9.390 9.864 ( 0.000 9.390 0.000) 9.390 10.225 ( 0.000 -14.690 0.000) 14.690 10.225 ( 0.000 14.690 0.000) 14.690 11.090 ( 0.000 -1.258 0.000) 1.258 11.090 ( 0.000 1.258 0.000) 1.258 11.133 ( 0.000 -5.507 0.000) 5.507 11.133 ( 0.000 5.507 0.000) 5.507 12.807 ( 0.000 -7.015 0.000) 7.015 12.807 ( 0.000 7.015 0.000) 7.015 13.235 ( 0.000 -1.711 0.000) 1.711 13.235 ( 0.000 1.711 0.000) 1.711 13.879 ( 0.000 -8.872 0.000) 8.872 13.879 ( 0.000 8.872 0.000) 8.872 14.124 ( 0.000 -10.837 0.000) 10.837 14.124 ( 0.000 10.837 0.000) 10.837 14.138 ( 0.000 -10.193 0.000) 10.193 14.138 ( 0.000 10.193 0.000) 10.193 14.457 ( 0.000 -3.681 0.000) 3.681 14.457 ( 0.000 3.681 0.000) 3.681 16.192 ( 0.000 -14.807 0.000) 14.807 16.192 ( 0.000 14.807 0.000) 14.807 16.766 ( 0.000 -2.526 0.000) 2.526 16.766 ( 0.000 2.526 0.000) 2.526 17.313 ( 0.000 -2.127 0.000) 2.127 17.313 ( 0.000 2.127 0.000) 2.127 17.600 ( 0.000 -5.915 0.000) 5.915 17.600 ( 0.000 5.915 0.000) 5.915 18.872 ( 0.000 -2.385 0.000) 2.385 18.872 ( 0.000 2.385 0.000) 2.385 18.982 ( 0.000 -6.132 0.000) 6.132 18.982 ( 0.000 6.132 0.000) 6.132 27.562 ( 0.000 -1.218 0.000) 1.218 27.562 ( 0.000 1.218 0.000) 1.218 27.625 ( 0.000 -2.423 0.000) 2.423 27.625 ( 0.000 2.423 0.000) 2.423 28.961 ( 0.000 -6.302 0.000) 6.302 28.961 ( 0.000 6.302 0.000) 6.302 29.875 ( 0.000 -0.840 0.000) 0.840 29.875 ( 0.000 0.840 0.000) 0.840 31.225 ( 0.000 -8.629 0.000) 8.629 31.225 ( 0.000 8.629 0.000) 8.629 31.401 ( 0.000 -2.481 0.000) 2.481 31.401 ( 0.000 2.481 0.000) 2.481 31.919 ( 0.000 -6.274 0.000) 6.274 31.919 ( 0.000 6.274 0.000) 6.274 32.399 ( 0.000 -19.495 0.000) 19.495 32.399 ( 0.000 19.495 0.000) 19.495 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 7.864 -38.540 0.000) 39.334 3.575 ( 7.864 38.540 0.000) 39.334 3.760 ( 5.006 -33.784 0.000) 34.153 3.760 ( 5.006 33.784 0.000) 34.153 4.321 ( -6.474 -19.542 0.000) 20.587 4.321 ( -6.474 19.542 0.000) 20.587 4.422 ( -10.861 -13.074 0.000) 16.997 4.422 ( -10.861 13.074 0.000) 16.997 5.664 ( 9.504 -27.655 0.000) 29.243 5.664 ( 9.504 27.655 0.000) 29.243 5.739 ( 9.034 -17.754 0.000) 19.920 5.739 ( 9.034 17.754 0.000) 19.920 6.465 ( -5.970 -3.798 0.000) 7.076 6.465 ( -5.970 3.798 0.000) 7.076 6.522 ( -13.115 -21.609 0.000) 25.278 6.522 ( -13.115 21.609 0.000) 25.278 6.726 ( 10.099 -5.701 0.000) 11.597 6.726 ( 10.099 5.701 0.000) 11.597 7.498 ( -3.237 -3.577 0.000) 4.824 7.498 ( -3.237 3.577 0.000) 4.824 7.668 ( 1.359 -7.273 0.000) 7.398 7.668 ( 1.359 7.273 0.000) 7.398 7.727 ( 9.299 -7.366 0.000) 11.863 7.727 ( 9.299 7.366 0.000) 11.863 8.163 ( -6.288 -13.223 0.000) 14.642 8.163 ( -6.288 13.223 0.000) 14.642 8.747 ( -10.553 -14.457 0.000) 17.899 8.747 ( -10.553 14.457 0.000) 17.899 9.182 ( -4.279 -8.426 0.000) 9.450 9.182 ( -4.279 8.426 0.000) 9.450 9.191 ( -8.578 -8.630 0.000) 12.168 9.191 ( -8.578 8.630 0.000) 12.168 9.546 ( 4.108 -13.736 0.000) 14.337 9.546 ( 4.108 13.736 0.000) 14.337 9.818 ( -3.808 -4.143 0.000) 5.627 9.818 ( -3.808 4.143 0.000) 5.627 9.978 ( 14.355 -15.722 0.000) 21.289 9.978 ( 14.355 15.722 0.000) 21.289 10.286 ( 4.288 -12.689 0.000) 13.394 10.286 ( 4.288 12.689 0.000) 13.394 11.095 ( 0.495 -4.968 0.000) 4.992 11.095 ( 0.495 4.968 0.000) 4.992 11.131 ( -0.171 -7.395 0.000) 7.397 11.131 ( -0.171 7.395 0.000) 7.397 12.836 ( 2.915 -6.905 0.000) 7.495 12.836 ( 2.915 6.905 0.000) 7.495 13.168 ( -5.915 -2.602 0.000) 6.462 13.168 ( -5.915 2.602 0.000) 6.462 13.930 ( 4.092 -7.828 0.000) 8.833 13.930 ( 4.092 7.828 0.000) 8.833 14.116 ( -1.990 -9.435 0.000) 9.642 14.116 ( -1.990 9.435 0.000) 9.642 14.170 ( 4.671 -9.711 0.000) 10.776 14.170 ( 4.671 9.711 0.000) 10.776 14.451 ( -0.946 -4.614 0.000) 4.710 14.451 ( -0.946 4.614 0.000) 4.710 16.237 ( 4.509 -14.934 0.000) 15.600 16.237 ( 4.509 14.934 0.000) 15.600 16.699 ( -6.394 -7.318 0.000) 9.718 16.699 ( -6.394 7.318 0.000) 9.718 17.326 ( 1.459 -1.286 0.000) 1.945 17.326 ( 1.459 1.286 0.000) 1.945 17.559 ( -3.873 -5.415 0.000) 6.657 17.559 ( -3.873 5.415 0.000) 6.657 18.886 ( 1.317 -3.431 0.000) 3.675 18.886 ( 1.317 3.431 0.000) 3.675 18.974 ( -0.813 -6.317 0.000) 6.369 18.974 ( -0.813 6.317 0.000) 6.369 27.570 ( 0.719 -1.318 0.000) 1.501 27.570 ( 0.719 1.318 0.000) 1.501 27.620 ( -0.433 -2.299 0.000) 2.340 27.620 ( -0.433 2.299 0.000) 2.340 29.022 ( 6.085 -6.395 0.000) 8.828 29.022 ( 6.085 6.395 0.000) 8.828 29.739 ( -12.270 -2.042 0.000) 12.438 29.739 ( -12.270 2.042 0.000) 12.438 31.282 ( 4.544 -11.602 0.000) 12.460 31.282 ( 4.544 11.602 0.000) 12.460 31.400 ( -0.125 -4.360 0.000) 4.362 31.400 ( -0.125 4.360 0.000) 4.362 31.972 ( 5.278 -7.160 0.000) 8.895 31.972 ( 5.278 7.160 0.000) 8.895 32.363 ( -3.607 -19.093 0.000) 19.431 32.363 ( -3.607 19.093 0.000) 19.431 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 11.265 -32.438 0.000) 34.338 3.778 ( 11.265 32.438 0.000) 34.338 3.872 ( 4.165 -27.934 0.000) 28.243 3.872 ( 4.165 27.934 0.000) 28.243 4.172 ( -7.129 -28.132 0.000) 29.021 4.172 ( -7.129 28.132 0.000) 29.021 4.183 ( -10.472 -19.087 0.000) 21.771 4.183 ( -10.472 19.087 0.000) 21.771 5.892 ( 12.324 -18.686 0.000) 22.384 5.892 ( 12.324 18.686 0.000) 22.384 5.954 ( 10.231 -15.373 0.000) 18.466 5.954 ( 10.231 15.373 0.000) 18.466 6.251 ( -11.842 -20.061 0.000) 23.295 6.251 ( -11.842 20.061 0.000) 23.295 6.288 ( -10.790 -6.227 0.000) 12.458 6.288 ( -10.790 6.227 0.000) 12.458 6.998 ( 16.220 -4.682 0.000) 16.882 6.998 ( 16.220 4.682 0.000) 16.882 7.310 ( -13.954 -3.630 0.000) 14.418 7.310 ( -13.954 3.630 0.000) 14.418 7.733 ( 5.365 -4.711 0.000) 7.140 7.733 ( 5.365 4.711 0.000) 7.140 7.852 ( -3.639 -3.821 0.000) 5.277 7.852 ( -3.639 3.821 0.000) 5.277 8.157 ( 11.542 -14.081 0.000) 18.207 8.157 ( 11.542 14.081 0.000) 18.207 8.466 ( -16.510 -13.027 0.000) 21.031 8.466 ( -16.510 13.027 0.000) 21.031 9.095 ( -1.618 -8.215 0.000) 8.373 9.095 ( -1.618 8.215 0.000) 8.373 9.108 ( -2.602 -9.773 0.000) 10.114 9.108 ( -2.602 9.773 0.000) 10.114 9.638 ( 4.943 -7.855 0.000) 9.281 9.638 ( 4.943 7.855 0.000) 9.281 9.734 ( -4.619 -3.627 0.000) 5.873 9.734 ( -4.619 3.627 0.000) 5.873 10.222 ( 9.304 -17.212 0.000) 19.566 10.222 ( 9.304 17.212 0.000) 19.566 10.326 ( -1.193 -15.280 0.000) 15.326 10.326 ( -1.193 15.280 0.000) 15.326 11.109 ( 0.859 -9.503 0.000) 9.541 11.109 ( 0.859 9.503 0.000) 9.541 11.124 ( -0.599 -10.259 0.000) 10.277 11.124 ( -0.599 10.259 0.000) 10.277 12.918 ( 5.251 -6.351 0.000) 8.241 12.918 ( 5.251 6.351 0.000) 8.241 13.038 ( -6.664 -4.888 0.000) 8.265 13.038 ( -6.664 4.888 0.000) 8.265 14.006 ( 3.402 -7.262 0.000) 8.019 14.006 ( 3.402 7.262 0.000) 8.019 14.067 ( -2.849 -8.110 0.000) 8.596 14.067 ( -2.849 8.110 0.000) 8.596 14.292 ( 6.756 -7.400 0.000) 10.020 14.292 ( 6.756 7.400 0.000) 10.020 14.404 ( -4.116 -6.074 0.000) 7.337 14.404 ( -4.116 6.074 0.000) 7.337 16.363 ( 8.008 -14.627 0.000) 16.676 16.363 ( 8.008 14.627 0.000) 16.676 16.538 ( -9.169 -12.313 0.000) 15.351 16.538 ( -9.169 12.313 0.000) 15.351 17.376 ( 3.623 -1.454 0.000) 3.904 17.376 ( 3.623 1.454 0.000) 3.904 17.465 ( -5.112 -3.816 0.000) 6.379 17.465 ( -5.112 3.816 0.000) 6.379 18.918 ( 1.777 -5.049 0.000) 5.353 18.918 ( 1.777 5.049 0.000) 5.353 18.951 ( -1.478 -6.126 0.000) 6.302 18.951 ( -1.478 6.126 0.000) 6.302 27.588 ( 1.032 -1.597 0.000) 1.901 27.588 ( 1.032 1.597 0.000) 1.901 27.607 ( -0.858 -1.975 0.000) 2.153 27.607 ( -0.858 1.975 0.000) 2.153 29.197 ( 11.440 -6.182 0.000) 13.004 29.197 ( 11.440 6.182 0.000) 13.004 29.460 ( -14.639 -4.640 0.000) 15.356 29.460 ( -14.639 4.640 0.000) 15.356 31.359 ( 2.738 -10.810 0.000) 11.152 31.359 ( 2.738 10.810 0.000) 11.152 31.392 ( -0.835 -7.594 0.000) 7.640 31.392 ( -0.835 7.594 0.000) 7.640 32.110 ( 7.968 -12.667 0.000) 14.964 32.110 ( 7.968 12.667 0.000) 14.964 32.260 ( -6.729 -17.260 0.000) 18.525 32.260 ( -6.729 17.260 0.000) 18.525 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 0.000 41.180) 41.180 0.929 ( 0.000 0.000 47.260) 47.260 1.608 ( 0.000 0.000 81.430) 81.430 3.601 ( 0.000 0.000 3.383) 3.383 3.828 ( 0.000 0.000 9.946) 9.946 4.122 ( 0.000 0.000 2.581) 2.581 4.787 ( 0.000 0.000 3.347) 3.347 5.046 ( 0.000 0.000 -3.175) 3.175 5.528 ( 0.000 0.000 -0.677) 0.677 5.666 ( 0.000 0.000 13.760) 13.760 5.894 ( 0.000 0.000 -3.596) 3.596 6.087 ( 0.000 0.000 -2.975) 2.975 6.114 ( 0.000 0.000 2.934) 2.934 6.304 ( 0.000 0.000 -1.253) 1.253 6.421 ( 0.000 0.000 -3.949) 3.949 6.571 ( 0.000 0.000 1.166) 1.166 6.596 ( 0.000 0.000 1.589) 1.589 6.633 ( 0.000 0.000 0.867) 0.867 6.943 ( 0.000 0.000 -0.238) 0.238 7.081 ( 0.000 0.000 -10.131) 10.131 7.190 ( 0.000 0.000 0.584) 0.584 7.610 ( 0.000 0.000 -9.548) 9.548 7.791 ( 0.000 0.000 -5.855) 5.855 7.889 ( 0.000 0.000 -7.216) 7.216 7.937 ( 0.000 0.000 3.360) 3.360 8.046 ( 0.000 0.000 4.416) 4.416 8.048 ( 0.000 0.000 -0.979) 0.979 8.069 ( 0.000 0.000 -7.609) 7.609 8.350 ( 0.000 0.000 2.419) 2.419 8.381 ( 0.000 0.000 -2.153) 2.153 8.930 ( 0.000 0.000 -3.151) 3.151 9.344 ( 0.000 0.000 -3.935) 3.935 9.423 ( 0.000 0.000 6.750) 6.750 10.054 ( 0.000 0.000 -8.040) 8.040 10.117 ( 0.000 0.000 -1.358) 1.358 10.217 ( 0.000 0.000 -6.369) 6.369 10.359 ( 0.000 0.000 -4.188) 4.188 10.379 ( 0.000 0.000 -2.815) 2.815 10.553 ( 0.000 0.000 -3.486) 3.486 10.901 ( 0.000 0.000 -1.643) 1.643 11.263 ( 0.000 0.000 -3.786) 3.786 11.641 ( 0.000 0.000 -1.619) 1.619 12.107 ( 0.000 0.000 0.483) 0.483 12.395 ( 0.000 0.000 1.395) 1.395 12.632 ( 0.000 0.000 -0.526) 0.526 12.688 ( 0.000 0.000 6.783) 6.783 13.202 ( 0.000 0.000 -13.942) 13.942 13.213 ( 0.000 0.000 -0.625) 0.625 13.238 ( 0.000 0.000 7.160) 7.160 13.411 ( 0.000 0.000 3.240) 3.240 13.527 ( 0.000 0.000 7.523) 7.523 13.800 ( 0.000 0.000 2.711) 2.711 14.204 ( 0.000 0.000 -3.773) 3.773 14.411 ( 0.000 0.000 2.800) 2.800 14.874 ( 0.000 0.000 2.678) 2.678 15.697 ( 0.000 0.000 -1.130) 1.130 16.053 ( 0.000 0.000 -3.972) 3.972 16.426 ( 0.000 0.000 -9.125) 9.125 16.880 ( 0.000 0.000 -3.126) 3.126 16.942 ( 0.000 0.000 -1.891) 1.891 17.094 ( 0.000 0.000 2.292) 2.292 17.187 ( 0.000 0.000 4.595) 4.595 17.311 ( 0.000 0.000 0.770) 0.770 17.902 ( 0.000 0.000 -2.134) 2.134 18.518 ( 0.000 0.000 -2.943) 2.943 18.921 ( 0.000 0.000 -1.138) 1.138 19.246 ( 0.000 0.000 -5.213) 5.213 19.512 ( 0.000 0.000 1.136) 1.136 27.539 ( 0.000 0.000 1.293) 1.293 27.573 ( 0.000 0.000 0.118) 0.118 27.637 ( 0.000 0.000 1.688) 1.688 27.748 ( 0.000 0.000 0.946) 0.946 28.368 ( 0.000 0.000 2.009) 2.009 28.589 ( 0.000 0.000 2.791) 2.791 29.611 ( 0.000 0.000 -3.772) 3.772 29.862 ( 0.000 0.000 -2.773) 2.773 30.020 ( 0.000 0.000 1.522) 1.522 30.467 ( 0.000 0.000 1.259) 1.259 30.616 ( 0.000 0.000 -0.847) 0.847 31.503 ( 0.000 0.000 6.156) 6.156 31.844 ( 0.000 0.000 6.313) 6.313 32.479 ( 0.000 0.000 13.142) 13.142 33.192 ( 0.000 0.000 -8.217) 8.217 34.589 ( 0.000 0.000 -2.558) 2.558 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 33.647 0.000 26.617) 42.902 1.341 ( 33.266 0.000 33.746) 47.386 2.121 ( 45.151 0.000 58.344) 73.774 3.278 ( -26.362 0.000 5.408) 26.911 3.485 ( -26.961 0.000 12.051) 29.532 4.318 ( 13.999 0.000 1.343) 14.063 4.978 ( -1.920 0.000 -1.993) 2.767 4.984 ( -5.975 0.000 -2.845) 6.618 5.388 ( -9.940 0.000 20.427) 22.717 5.619 ( 8.458 0.000 -0.817) 8.497 5.920 ( 2.293 0.000 -3.683) 4.338 6.103 ( -0.956 0.000 3.527) 3.655 6.114 ( 1.970 0.000 -4.237) 4.672 6.255 ( -4.835 0.000 -0.650) 4.879 6.375 ( -2.919 0.000 -1.957) 3.514 6.558 ( -3.076 0.000 -1.335) 3.353 6.589 ( 0.974 0.000 0.408) 1.056 6.703 ( 3.154 0.000 0.745) 3.241 6.933 ( 0.093 0.000 -0.601) 0.608 7.166 ( -2.413 0.000 0.318) 2.434 7.209 ( 5.808 0.000 -7.530) 9.509 7.468 ( -21.034 0.000 -4.179) 21.445 7.543 ( -3.539 0.000 -6.989) 7.834 7.788 ( -0.141 0.000 -5.583) 5.585 7.868 ( -1.921 0.000 -6.587) 6.862 8.027 ( 1.776 0.000 -5.050) 5.353 8.100 ( 2.970 0.000 -7.352) 7.930 8.351 ( -2.949 0.000 -3.112) 4.287 8.493 ( 16.994 0.000 1.387) 17.051 8.708 ( 24.929 0.000 -2.020) 25.011 8.923 ( 1.333 0.000 -5.002) 5.177 9.259 ( -4.117 0.000 1.787) 4.488 9.517 ( 3.758 0.000 -0.739) 3.830 9.770 ( -16.235 0.000 -3.328) 16.573 10.141 ( 2.448 0.000 -1.192) 2.723 10.147 ( -10.012 0.000 8.103) 12.880 10.331 ( -3.205 0.000 -1.129) 3.398 10.464 ( -7.036 0.000 -2.211) 7.375 10.550 ( 14.125 0.000 -6.598) 15.590 10.988 ( 6.798 0.000 -2.795) 7.350 11.250 ( -1.359 0.000 -3.838) 4.072 11.448 ( -18.792 0.000 8.083) 20.457 12.279 ( 19.553 0.000 -9.376) 21.685 12.427 ( 3.120 0.000 1.095) 3.306 12.621 ( -1.114 0.000 -0.202) 1.132 12.700 ( 1.297 0.000 6.404) 6.534 13.028 ( -9.731 0.000 3.884) 10.477 13.041 ( -5.460 0.000 -18.577) 19.363 13.415 ( 8.997 0.000 3.048) 9.500 13.502 ( 2.170 0.000 6.045) 6.423 13.753 ( 6.609 0.000 3.440) 7.451 13.775 ( -2.556 0.000 2.695) 3.715 14.329 ( 12.373 0.000 -12.802) 17.804 14.468 ( 5.777 0.000 3.085) 6.549 14.835 ( -3.471 0.000 2.599) 4.336 15.728 ( 3.108 0.000 -1.359) 3.392 15.739 ( -38.440 0.000 16.743) 41.928 16.015 ( -3.630 0.000 -3.624) 5.129 16.957 ( 2.128 0.000 -2.319) 3.147 17.037 ( 1.878 0.000 -2.273) 2.948 17.119 ( 2.343 0.000 2.064) 3.122 17.293 ( -1.775 0.000 0.867) 1.976 17.352 ( 11.656 0.000 -3.967) 12.313 17.860 ( -4.265 0.000 -1.923) 4.679 18.524 ( 0.733 0.000 -2.681) 2.779 18.804 ( -11.806 0.000 3.971) 12.456 19.113 ( 0.299 0.000 4.951) 4.960 19.441 ( -4.383 0.000 -2.635) 5.114 27.551 ( 0.528 0.000 0.714) 0.889 27.570 ( -0.275 0.000 0.343) 0.439 27.649 ( 1.210 0.000 1.515) 1.939 27.739 ( -0.880 0.000 0.985) 1.321 28.386 ( 1.794 0.000 2.045) 2.721 28.564 ( -2.396 0.000 2.653) 3.575 29.639 ( 2.661 0.000 -3.611) 4.486 29.841 ( -2.109 0.000 -2.827) 3.527 30.046 ( 3.663 0.000 0.739) 3.736 30.418 ( -4.673 0.000 1.162) 4.815 31.103 ( 27.652 0.000 -19.071) 33.591 31.507 ( 0.352 0.000 5.969) 5.980 31.840 ( 0.570 0.000 5.565) 5.594 32.331 ( -11.090 0.000 10.871) 15.529 33.334 ( 10.744 0.000 -6.430) 12.521 34.171 ( -25.222 0.000 18.004) 30.989 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 38.039 0.000 15.076) 40.918 2.057 ( 37.347 0.000 23.196) 43.964 2.668 ( -34.525 0.000 9.121) 35.709 2.731 ( -22.722 0.000 19.832) 30.160 3.293 ( 43.672 0.000 29.697) 52.812 4.302 ( -49.108 0.000 17.413) 52.104 4.589 ( 12.978 0.000 -0.148) 12.978 4.821 ( -10.292 0.000 -1.672) 10.427 5.683 ( 22.001 0.000 6.285) 22.881 5.825 ( 11.536 0.000 -1.588) 11.645 5.941 ( -2.730 0.000 -1.883) 3.316 6.043 ( -9.586 0.000 -3.446) 10.187 6.108 ( 3.693 0.000 2.527) 4.475 6.238 ( 3.815 0.000 -1.152) 3.985 6.317 ( -3.466 0.000 -2.009) 4.007 6.348 ( -17.490 0.000 -1.505) 17.555 6.630 ( 2.990 0.000 0.581) 3.046 6.697 ( -3.086 0.000 0.880) 3.209 6.990 ( 5.129 0.000 -1.018) 5.229 7.094 ( -4.785 0.000 -0.426) 4.804 7.131 ( -1.624 0.000 -3.764) 4.099 7.222 ( -8.727 0.000 -6.924) 11.140 7.714 ( 14.632 0.000 -5.868) 15.765 7.794 ( 0.932 0.000 -5.168) 5.251 7.825 ( -2.107 0.000 -5.483) 5.873 7.958 ( -8.748 0.000 -4.748) 9.954 8.178 ( 4.633 0.000 -6.560) 8.031 8.273 ( -4.702 0.000 -5.037) 6.891 8.785 ( 12.933 0.000 -3.372) 13.365 8.958 ( -0.598 0.000 -3.754) 3.801 9.082 ( 9.095 0.000 -8.902) 12.727 9.190 ( -2.771 0.000 -7.443) 7.942 9.490 ( -1.041 0.000 0.586) 1.195 9.583 ( -4.941 0.000 5.175) 7.155 10.046 ( 1.696 0.000 14.439) 14.538 10.189 ( -9.822 0.000 9.130) 13.410 10.212 ( 4.687 0.000 -0.931) 4.779 10.324 ( -6.597 0.000 -1.124) 6.692 10.821 ( 13.210 0.000 -5.772) 14.416 11.096 ( -15.512 0.000 1.606) 15.595 11.117 ( 5.702 0.000 -3.698) 6.796 11.205 ( -3.274 0.000 -3.906) 5.097 12.507 ( 4.537 0.000 0.281) 4.546 12.584 ( -2.873 0.000 -0.110) 2.875 12.679 ( 17.717 0.000 -18.297) 25.469 12.745 ( 3.585 0.000 6.097) 7.073 12.854 ( -7.469 0.000 5.277) 9.145 12.928 ( -7.874 0.000 -22.234) 23.587 13.574 ( 5.642 0.000 10.923) 12.295 13.577 ( 7.299 0.000 2.738) 7.796 13.699 ( -5.061 0.000 2.676) 5.725 13.712 ( -6.947 0.000 11.351) 13.308 14.534 ( 7.289 0.000 -1.592) 7.461 14.615 ( 2.870 0.000 0.350) 2.891 14.813 ( 7.006 0.000 -1.567) 7.179 15.141 ( -23.229 0.000 6.598) 24.148 15.813 ( 5.205 0.000 -1.983) 5.570 15.922 ( -5.507 0.000 -2.829) 6.191 17.000 ( 2.063 0.000 -1.717) 2.684 17.035 ( -1.275 0.000 -0.961) 1.597 17.178 ( 3.396 0.000 1.589) 3.750 17.244 ( -3.066 0.000 1.151) 3.275 17.561 ( 9.824 0.000 -2.069) 10.040 17.738 ( -7.819 0.000 -1.538) 7.969 18.553 ( 2.350 0.000 -1.578) 2.831 18.628 ( -5.771 0.000 1.429) 5.945 19.205 ( 6.591 0.000 -0.483) 6.609 19.336 ( -6.246 0.000 -2.873) 6.875 27.558 ( 0.274 0.000 0.738) 0.787 27.564 ( -0.323 0.000 0.585) 0.668 27.680 ( 1.786 0.000 1.274) 2.194 27.714 ( -1.575 0.000 1.103) 1.923 28.436 ( 3.122 0.000 2.163) 3.799 28.503 ( -3.478 0.000 2.382) 4.215 29.707 ( 3.931 0.000 -3.283) 5.121 29.783 ( -3.606 0.000 -2.997) 4.689 30.154 ( 6.797 0.000 0.516) 6.816 30.297 ( -7.181 0.000 0.856) 7.232 31.443 ( 7.939 0.000 -3.784) 8.795 31.509 ( -0.647 0.000 4.542) 4.588 31.916 ( 7.753 0.000 0.601) 7.777 32.112 ( -10.924 0.000 3.410) 11.443 33.550 ( 11.098 0.000 1.056) 11.148 33.792 ( -14.392 0.000 11.250) 18.267 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 32.410 31.238) 45.013 1.426 ( 0.000 33.150 35.773) 48.771 2.123 ( 0.000 49.729 51.308) 71.453 3.701 ( 0.000 8.816 4.107) 9.725 3.854 ( 0.000 4.940 7.871) 9.293 4.301 ( 0.000 15.121 3.046) 15.424 4.796 ( 0.000 0.671 4.806) 4.852 5.178 ( 0.000 11.601 -3.543) 12.129 5.402 ( 0.000 -11.477 3.587) 12.024 5.617 ( 0.000 -5.945 12.340) 13.698 5.713 ( 0.000 -14.525 -3.290) 14.893 5.836 ( 0.000 -14.528 1.776) 14.636 6.270 ( 0.000 7.599 -1.947) 7.844 6.470 ( 0.000 3.471 -4.067) 5.347 6.523 ( 0.000 13.383 -5.799) 14.585 6.611 ( 0.000 7.759 -12.738) 14.915 6.661 ( 0.000 7.051 2.397) 7.447 6.848 ( 0.000 4.715 -2.089) 5.157 7.014 ( 0.000 6.922 -0.415) 6.934 7.149 ( 0.000 7.019 -6.790) 9.765 7.265 ( 0.000 6.097 -0.330) 6.105 7.433 ( 0.000 -12.097 -7.672) 14.325 7.736 ( 0.000 -5.121 -2.832) 5.852 7.903 ( 0.000 -9.246 -4.476) 10.273 7.909 ( 0.000 2.842 -1.328) 3.137 8.126 ( 0.000 10.894 -1.408) 10.984 8.162 ( 0.000 4.792 1.070) 4.910 8.181 ( 0.000 14.114 -0.438) 14.121 8.376 ( 0.000 3.711 2.542) 4.498 8.551 ( 0.000 11.914 -14.159) 18.505 8.951 ( 0.000 1.829 -3.819) 4.234 9.318 ( 0.000 -2.406 -4.207) 4.846 9.376 ( 0.000 -3.858 8.309) 9.161 9.943 ( 0.000 -14.576 9.628) 17.469 9.988 ( 0.000 -6.149 -7.773) 9.911 10.134 ( 0.000 -1.839 0.154) 1.846 10.254 ( 0.000 -3.001 -9.268) 9.742 10.345 ( 0.000 -1.283 -3.508) 3.735 10.508 ( 0.000 -4.558 -3.272) 5.611 11.074 ( 0.000 5.816 -4.892) 7.599 11.157 ( 0.000 -9.625 -3.648) 10.293 11.576 ( 0.000 -6.224 -1.353) 6.370 11.869 ( 0.000 -15.524 1.220) 15.572 12.003 ( 0.000 -29.617 27.888) 40.680 12.446 ( 0.000 3.521 2.493) 4.314 12.954 ( 0.000 18.967 3.691) 19.323 13.113 ( 0.000 -0.645 -6.258) 6.291 13.246 ( 0.000 1.268 5.970) 6.103 13.292 ( 0.000 -1.029 1.194) 1.576 13.470 ( 0.000 5.154 3.744) 6.370 13.593 ( 0.000 5.827 6.080) 8.421 14.192 ( 0.000 13.465 -21.923) 25.728 14.212 ( 0.000 0.708 -3.727) 3.794 14.383 ( 0.000 -2.180 1.886) 2.883 14.819 ( 0.000 -5.068 2.723) 5.753 15.281 ( 0.000 -23.818 11.067) 26.264 15.982 ( 0.000 -5.702 -3.504) 6.692 16.572 ( 0.000 5.521 -11.372) 12.642 16.879 ( 0.000 -0.159 -2.535) 2.540 16.929 ( 0.000 -2.575 -1.064) 2.786 17.086 ( 0.000 0.754 3.364) 3.448 17.225 ( 0.000 4.101 3.764) 5.567 17.311 ( 0.000 0.140 0.422) 0.445 17.877 ( 0.000 -2.351 -2.160) 3.193 18.556 ( 0.000 3.533 -3.011) 4.642 18.923 ( 0.000 -0.014 -1.561) 1.561 19.018 ( 0.000 -18.732 16.522) 24.978 19.225 ( 0.000 -1.952 -4.853) 5.231 27.538 ( 0.000 -0.074 1.277) 1.280 27.562 ( 0.000 -0.679 0.470) 0.826 27.634 ( 0.000 -0.320 1.630) 1.661 27.740 ( 0.000 -0.710 0.963) 1.197 28.631 ( 0.000 4.170 2.331) 4.777 29.497 ( 0.000 -8.733 -1.257) 8.823 29.606 ( 0.000 59.081 -59.237) 83.663 29.863 ( 0.000 0.154 -2.519) 2.524 30.017 ( 0.000 1.150 0.187) 1.165 30.643 ( 0.000 8.485 -1.830) 8.680 30.673 ( 0.000 10.874 -1.032) 10.923 31.524 ( 0.000 2.049 6.222) 6.551 31.852 ( 0.000 1.033 7.021) 7.097 32.436 ( 0.000 -3.964 12.639) 13.246 32.965 ( 0.000 -20.716 8.362) 22.341 33.832 ( 0.000 -37.738 29.880) 48.135 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 20.671 27.434 25.812) 42.967 1.702 ( 24.393 24.526 33.519) 48.167 2.581 ( 38.985 41.137 37.738) 68.090 3.384 ( -25.409 9.590 6.332) 27.887 3.570 ( -24.319 8.105 12.231) 28.403 4.477 ( 13.197 13.958 1.134) 19.243 4.970 ( 5.186 0.453 -1.017) 5.304 5.133 ( -6.163 11.384 -2.861) 13.258 5.332 ( -7.281 -4.158 11.352) 14.113 5.572 ( 1.517 -5.624 8.020) 9.912 5.730 ( 2.429 -14.643 -2.706) 15.088 5.851 ( 4.401 -18.005 3.024) 18.780 6.254 ( -1.511 8.465 -1.987) 8.825 6.370 ( -6.568 7.314 -2.182) 10.070 6.509 ( -3.414 10.885 -8.522) 14.240 6.619 ( 1.310 3.152 -2.461) 4.209 6.676 ( -0.980 10.984 -3.287) 11.507 6.874 ( 3.543 5.306 -0.306) 6.388 6.921 ( -7.728 2.974 0.934) 8.333 7.195 ( -1.459 4.554 -2.959) 5.624 7.230 ( -5.180 -0.896 -4.463) 6.896 7.370 ( -7.064 -7.588 -0.687) 10.390 7.519 ( -5.833 3.199 -6.381) 9.218 7.800 ( -0.502 -3.990 -5.886) 7.128 7.964 ( -0.156 7.913 -3.037) 8.477 8.073 ( 1.976 2.111 -5.939) 6.605 8.155 ( -1.132 8.713 -1.929) 8.995 8.339 ( 0.749 0.858 -2.774) 2.999 8.544 ( 12.985 3.889 -0.544) 13.566 8.792 ( 19.554 7.024 -6.217) 21.688 8.944 ( 0.979 1.925 -5.473) 5.884 9.229 ( -4.374 -2.529 1.532) 5.279 9.482 ( 4.636 -3.208 -0.980) 5.722 9.728 ( -15.309 -3.992 -3.407) 16.184 9.909 ( -3.245 -13.535 10.933) 17.699 10.128 ( -0.566 -2.013 -0.780) 2.232 10.326 ( -1.929 -0.020 -0.664) 2.040 10.436 ( 0.980 -4.864 -4.434) 6.654 10.540 ( 10.523 -1.299 -5.666) 12.022 11.047 ( -0.170 2.426 -2.268) 3.326 11.126 ( -3.401 -10.090 -2.473) 10.931 11.433 ( -14.577 -2.583 7.244) 16.482 11.919 ( 12.028 -21.725 -4.588) 25.253 12.145 ( 5.094 -22.735 5.244) 23.881 12.536 ( 7.219 0.700 3.708) 8.146 12.985 ( 2.106 16.606 0.418) 16.745 13.019 ( -6.935 3.262 0.424) 7.676 13.185 ( -1.464 2.149 -5.604) 6.178 13.426 ( 7.931 2.059 1.869) 8.404 13.503 ( 2.395 2.174 5.212) 6.134 13.649 ( 4.057 3.302 9.582) 10.917 14.066 ( -7.208 8.245 -7.735) 13.408 14.364 ( 8.098 0.808 -9.813) 12.749 14.452 ( 7.370 -0.640 -1.531) 7.554 14.779 ( -3.492 -5.227 2.635) 6.816 15.256 ( -4.294 -20.677 9.881) 23.316 15.953 ( -2.775 -4.832 -3.185) 6.418 16.138 ( -24.382 14.409 -0.682) 28.330 16.927 ( 2.151 -3.720 -1.202) 4.462 17.009 ( 1.826 -0.912 -1.755) 2.692 17.174 ( 2.991 3.176 -0.955) 4.466 17.294 ( -1.672 0.182 0.496) 1.754 17.305 ( 9.773 -2.055 1.386) 10.082 17.831 ( -4.549 -2.584 -1.902) 5.567 18.559 ( 0.480 3.315 -2.670) 4.283 18.768 ( -9.078 -2.238 4.059) 10.193 19.066 ( 4.396 -3.557 3.534) 6.668 19.295 ( 1.998 -7.356 -4.008) 8.612 27.539 ( 0.103 -0.336 1.214) 1.264 27.558 ( -0.335 -0.714 0.564) 0.969 27.645 ( 1.084 -0.384 1.543) 1.924 27.731 ( -0.933 -0.739 1.013) 1.563 28.626 ( -0.312 5.777 2.140) 6.168 29.056 ( -26.904 38.498 -13.825) 48.960 29.532 ( 3.388 -8.126 -1.216) 8.888 29.847 ( -5.101 0.185 -2.239) 5.574 30.123 ( 8.023 8.881 -3.669) 12.518 30.604 ( -5.232 15.052 -1.183) 15.979 31.121 ( 25.769 1.496 -18.800) 31.933 31.530 ( 0.424 2.149 6.015) 6.401 31.846 ( 0.182 0.810 6.376) 6.429 32.283 ( -10.774 -4.405 10.652) 15.778 33.153 ( 13.089 -16.858 2.065) 21.443 33.739 ( -7.797 -27.780 22.833) 36.795 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 32.518 15.566 16.913) 39.821 2.276 ( 30.468 16.043 25.586) 42.899 2.767 ( -29.467 12.173 9.187) 33.179 2.949 ( -29.380 14.890 17.728) 37.406 3.575 ( 45.620 26.312 23.812) 57.797 4.485 ( -42.028 16.498 12.384) 46.818 4.737 ( 12.044 12.842 -0.272) 17.608 4.955 ( -9.591 11.228 -1.280) 14.822 5.513 ( 12.695 -11.746 1.420) 17.354 5.633 ( 0.336 -16.781 3.602) 17.166 5.834 ( 9.423 -11.603 0.300) 14.950 5.960 ( 2.838 -13.377 3.844) 14.204 6.208 ( -2.703 8.798 -2.794) 9.618 6.244 ( -5.700 9.466 -2.141) 11.255 6.451 ( -0.680 10.915 -4.945) 12.003 6.549 ( -9.685 13.351 -1.328) 16.548 6.659 ( 2.786 1.484 -0.779) 3.251 6.753 ( -7.092 1.685 0.271) 7.295 7.008 ( 7.814 3.428 -1.695) 8.700 7.076 ( -1.743 -3.690 -2.850) 4.978 7.119 ( -5.770 -1.856 -3.644) 7.072 7.185 ( -8.325 3.002 -1.103) 8.919 7.672 ( 9.705 0.364 -6.921) 11.925 7.781 ( -2.192 -2.298 -5.441) 6.300 7.982 ( 3.335 11.169 -2.845) 11.999 8.088 ( -5.394 8.216 -2.069) 10.044 8.158 ( 5.287 -0.495 -5.875) 7.919 8.273 ( -5.683 1.439 -5.339) 7.929 8.787 ( 11.662 -0.143 -4.384) 12.460 8.974 ( -3.175 1.135 -4.536) 5.651 9.079 ( 6.758 -0.351 -9.509) 11.671 9.166 ( -1.308 -1.375 -7.723) 7.953 9.486 ( 0.762 -0.328 0.828) 1.172 9.569 ( -3.216 -0.752 4.842) 5.861 9.891 ( 3.751 -10.837 12.975) 17.316 10.050 ( -8.719 -7.904 5.235) 12.880 10.298 ( 1.382 2.890 2.364) 3.982 10.367 ( -4.605 0.473 0.168) 4.632 10.795 ( 12.310 -1.835 -5.346) 13.545 11.006 ( -8.685 -6.348 -0.571) 10.772 11.089 ( 3.724 -3.192 -3.189) 5.850 11.199 ( -8.024 -2.328 -1.711) 8.528 12.126 ( 6.967 -23.166 -6.192) 24.971 12.191 ( -0.156 -21.391 -2.556) 21.543 12.683 ( 7.606 0.369 3.403) 8.341 12.841 ( -8.506 0.913 2.621) 8.947 13.083 ( 4.903 14.761 -5.998) 16.671 13.155 ( -2.260 8.330 -9.714) 12.994 13.551 ( 2.923 -0.002 7.489) 8.040 13.559 ( 2.988 1.119 4.124) 5.215 13.732 ( 5.983 6.900 6.690) 11.321 13.900 ( -9.453 8.839 -1.579) 13.038 14.501 ( 6.318 -3.319 0.214) 7.140 14.591 ( 0.154 -2.598 0.604) 2.671 14.771 ( 8.395 -3.906 -1.860) 9.444 15.048 ( -15.484 -8.406 4.857) 18.276 15.868 ( -3.322 5.264 -1.245) 6.347 15.889 ( -3.408 -1.802 -2.269) 4.473 16.975 ( 2.445 -2.863 -0.980) 3.890 17.013 ( -1.119 -1.664 -0.997) 2.239 17.209 ( 1.749 2.534 0.523) 3.123 17.251 ( -2.388 0.828 0.641) 2.608 17.515 ( 10.419 -3.600 -0.693) 11.046 17.703 ( -8.277 -3.101 -1.276) 8.930 18.580 ( 1.806 2.671 -1.836) 3.710 18.638 ( -4.347 1.264 0.297) 4.537 19.171 ( 5.724 -2.975 -0.894) 6.513 19.270 ( -3.777 -5.025 -3.279) 7.090 27.542 ( 0.301 -0.666 1.037) 1.269 27.550 ( -0.441 -0.763 0.790) 1.183 27.673 ( 1.643 -0.572 1.349) 2.202 27.705 ( -1.555 -0.725 1.151) 2.066 28.634 ( 1.692 10.812 1.571) 11.056 28.725 ( -8.785 20.906 -0.743) 22.689 29.622 ( 5.394 -6.411 -1.195) 8.463 29.735 ( -5.915 -3.652 -1.339) 7.079 30.292 ( 8.954 12.004 -2.479) 15.179 30.466 ( -8.332 13.900 -1.631) 16.288 31.453 ( 8.593 0.773 -4.045) 9.529 31.530 ( -0.947 1.969 4.539) 5.038 31.903 ( 6.382 -0.934 1.661) 6.660 32.076 ( -10.077 -3.155 3.412) 11.097 33.385 ( 10.304 -14.829 3.447) 18.383 33.571 ( -8.861 -17.879 11.559) 23.060 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.000 32.838 32.839) 46.440 2.123 ( 0.000 39.642 16.868) 43.082 3.363 ( 0.000 58.953 22.561) 63.122 3.935 ( 0.000 12.352 5.638) 13.578 4.041 ( 0.000 12.439 7.345) 14.445 4.691 ( 0.000 19.345 3.216) 19.611 4.778 ( 0.000 -4.909 5.630) 7.470 5.112 ( 0.000 -14.086 4.685) 14.844 5.191 ( 0.000 -22.880 11.272) 25.506 5.321 ( 0.000 -21.140 0.261) 21.141 5.531 ( 0.000 15.565 -1.376) 15.626 5.803 ( 0.000 8.348 -0.590) 8.369 6.257 ( 0.000 -7.898 -0.408) 7.908 6.572 ( 0.000 3.056 -1.638) 3.468 6.617 ( 0.000 -5.371 -15.275) 16.192 6.798 ( 0.000 3.493 -1.732) 3.899 6.914 ( 0.000 15.330 0.102) 15.330 6.952 ( 0.000 12.779 -6.888) 14.517 7.114 ( 0.000 -14.429 -5.145) 15.319 7.242 ( 0.000 10.122 -1.963) 10.311 7.317 ( 0.000 8.541 1.196) 8.625 7.459 ( 0.000 8.656 -0.256) 8.659 7.690 ( 0.000 -8.693 -1.391) 8.804 7.694 ( 0.000 1.307 -5.137) 5.301 7.906 ( 0.000 -1.373 2.789) 3.109 8.278 ( 0.000 6.192 -2.072) 6.530 8.393 ( 0.000 14.307 -6.129) 15.564 8.483 ( 0.000 5.560 3.680) 6.667 8.582 ( 0.000 21.782 -0.037) 21.782 8.793 ( 0.000 9.448 -14.027) 16.912 9.001 ( 0.000 3.116 -7.454) 8.079 9.244 ( 0.000 -4.563 -4.652) 6.517 9.323 ( 0.000 1.210 7.291) 7.391 9.762 ( 0.000 -3.099 3.716) 4.839 9.799 ( 0.000 -11.360 -7.607) 13.672 10.088 ( 0.000 -2.589 -1.855) 3.185 10.166 ( 0.000 -6.396 -6.024) 8.786 10.297 ( 0.000 -4.040 -1.079) 4.182 10.349 ( 0.000 -10.019 -2.113) 10.239 10.879 ( 0.000 -15.737 -3.151) 16.049 11.095 ( 0.000 -2.749 -1.466) 3.116 11.370 ( 0.000 -12.900 -4.391) 13.627 11.536 ( 0.000 -16.089 19.881) 25.576 11.581 ( 0.000 -10.744 3.769) 11.386 12.541 ( 0.000 5.436 2.084) 5.821 13.075 ( 0.000 -3.543 -1.409) 3.812 13.216 ( 0.000 2.728 6.930) 7.448 13.273 ( 0.000 -0.292 0.816) 0.866 13.431 ( 0.000 17.373 -1.725) 17.459 13.613 ( 0.000 8.097 4.030) 9.045 13.751 ( 0.000 8.762 4.482) 9.841 14.234 ( 0.000 1.284 -3.729) 3.944 14.235 ( 0.000 -5.205 -2.429) 5.744 14.359 ( 0.000 -1.621 -10.961) 11.080 14.668 ( 0.000 -8.891 2.659) 9.280 14.847 ( 0.000 -17.453 4.744) 18.087 15.879 ( 0.000 -2.232 -1.992) 2.992 16.627 ( 0.000 0.160 -5.925) 5.927 16.816 ( 0.000 -7.149 1.966) 7.415 16.865 ( 0.000 -1.322 -1.234) 1.809 17.155 ( 0.000 4.765 1.534) 5.006 17.320 ( 0.000 0.650 -0.164) 0.670 17.335 ( 0.000 5.696 0.931) 5.771 17.804 ( 0.000 -4.383 -2.243) 4.924 18.658 ( 0.000 5.661 -3.546) 6.680 18.827 ( 0.000 -2.692 3.782) 4.642 18.914 ( 0.000 -0.966 -2.576) 2.751 19.165 ( 0.000 -3.695 -3.984) 5.434 27.539 ( 0.000 0.299 1.244) 1.279 27.558 ( 0.000 0.503 0.713) 0.873 27.623 ( 0.000 -0.697 1.579) 1.726 27.718 ( 0.000 -1.323 1.009) 1.663 28.740 ( 0.000 5.704 2.668) 6.297 29.305 ( 0.000 -8.747 1.393) 8.857 29.866 ( 0.000 -0.001 -1.468) 1.468 29.948 ( 0.000 -1.577 -1.105) 1.926 30.501 ( 0.000 24.044 -44.791) 50.837 30.763 ( 0.000 6.035 -5.302) 8.033 31.031 ( 0.000 17.588 -2.309) 17.739 31.591 ( 0.000 4.155 6.425) 7.651 31.909 ( 0.000 5.107 8.555) 9.964 32.319 ( 0.000 -6.850 11.322) 13.233 32.476 ( 0.000 -21.607 24.428) 32.612 33.267 ( 0.000 -20.765 10.607) 23.318 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 11.746 37.371 16.962) 42.688 2.276 ( 16.989 29.868 29.631) 45.373 3.560 ( -0.576 33.710 10.696) 35.371 3.710 ( -3.917 27.912 14.531) 31.711 3.830 ( -13.961 19.973 13.918) 28.063 4.825 ( 10.810 11.389 -0.155) 15.703 4.950 ( 11.024 1.221 2.618) 11.396 5.055 ( -0.452 -20.035 6.994) 21.225 5.302 ( 1.515 -18.961 2.640) 19.204 5.343 ( 3.413 -14.186 2.784) 14.854 5.554 ( 3.878 9.987 2.990) 11.123 5.626 ( -15.023 8.804 1.225) 17.456 6.293 ( 3.610 -6.107 -0.670) 7.126 6.536 ( -4.330 2.363 -7.430) 8.919 6.596 ( -0.886 0.687 -7.311) 7.397 6.790 ( -7.606 -5.593 -2.618) 9.797 6.841 ( -1.364 12.975 -2.867) 13.358 6.965 ( 3.360 13.267 -2.222) 13.865 7.084 ( -3.747 1.171 -4.012) 5.613 7.172 ( -9.173 4.021 0.851) 10.052 7.283 ( -10.959 4.580 1.219) 11.940 7.400 ( 5.544 9.188 -1.905) 10.899 7.632 ( -0.670 5.182 -5.837) 7.834 7.758 ( -0.127 1.077 -3.179) 3.359 7.911 ( 4.580 -5.021 0.685) 6.830 8.235 ( -2.672 4.769 -3.362) 6.417 8.377 ( -5.288 11.993 -1.110) 13.154 8.462 ( 1.790 9.081 -5.064) 10.551 8.673 ( 4.689 9.484 -0.246) 10.583 8.937 ( 10.384 5.022 -8.262) 14.188 9.023 ( 3.601 6.458 -7.818) 10.761 9.176 ( -3.727 -1.736 -1.412) 4.347 9.390 ( 2.674 -4.701 -2.420) 5.925 9.612 ( -8.885 -5.400 -0.146) 10.398 9.741 ( -2.539 -2.410 5.824) 6.795 10.048 ( -5.439 -5.487 0.351) 7.734 10.255 ( 2.804 -11.191 -3.997) 12.210 10.317 ( 0.388 -2.098 2.026) 2.942 10.475 ( 13.510 -5.274 -6.806) 16.021 10.866 ( -0.564 -13.463 -2.561) 13.716 11.039 ( -4.001 -2.913 -0.659) 4.992 11.326 ( -11.669 -6.981 8.632) 16.106 11.494 ( 9.346 -17.831 -5.913) 20.983 11.720 ( 5.135 -17.007 5.380) 18.562 12.596 ( 5.079 4.423 2.700) 7.256 13.055 ( -6.703 2.007 0.197) 6.999 13.141 ( 0.033 -4.069 1.757) 4.432 13.247 ( -0.455 3.999 3.944) 5.635 13.576 ( 8.040 12.618 -4.541) 15.636 13.627 ( 1.843 8.078 3.868) 9.144 13.781 ( 3.305 8.104 6.885) 11.136 14.157 ( -4.816 2.022 -7.235) 8.924 14.299 ( 4.056 -5.518 1.162) 6.946 14.433 ( 6.393 -2.559 -8.570) 10.994 14.621 ( -3.575 -9.316 2.456) 10.277 14.867 ( 0.577 -16.177 3.545) 16.571 15.877 ( 0.025 -0.587 -1.664) 1.765 16.373 ( -19.030 8.668 -1.550) 20.968 16.800 ( 2.310 -8.216 0.709) 8.564 16.965 ( 1.961 -4.039 -1.902) 4.877 17.223 ( 5.451 2.439 -0.496) 5.993 17.307 ( -1.056 1.089 -0.156) 1.525 17.335 ( 1.058 3.979 1.968) 4.564 17.755 ( -4.841 -4.414 -1.915) 6.825 18.657 ( 0.034 5.550 -3.152) 6.383 18.752 ( -4.256 0.996 0.266) 4.379 18.994 ( 5.136 -3.200 -0.808) 6.105 19.175 ( 0.364 -4.906 -4.152) 6.437 27.540 ( 0.086 0.439 1.198) 1.279 27.555 ( -0.278 0.575 0.787) 1.013 27.633 ( 0.936 -0.775 1.498) 1.929 27.709 ( -0.887 -1.263 1.039) 1.861 28.769 ( 3.064 7.084 2.398) 8.082 29.352 ( 4.614 -8.169 1.242) 9.464 29.556 ( -25.045 10.751 -6.009) 27.910 29.832 ( -8.773 -1.619 -0.561) 8.938 30.450 ( 5.234 18.993 -13.615) 23.948 30.962 ( -5.537 17.000 -3.264) 18.174 31.152 ( 20.461 1.142 -17.412) 26.891 31.598 ( 0.383 4.085 6.272) 7.495 31.897 ( -0.796 4.709 8.254) 9.536 32.154 ( -9.099 -7.370 9.996) 15.396 32.717 ( 15.269 -20.788 15.449) 30.066 33.239 ( -2.803 -20.585 9.694) 22.925 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 21.651 29.693 14.821) 39.625 2.698 ( 22.137 23.818 24.514) 40.722 3.141 ( -22.489 21.862 9.672) 32.821 3.305 ( -26.319 18.830 17.680) 36.876 4.295 ( 33.888 36.775 12.899) 51.645 4.886 ( -17.944 10.093 4.468) 21.067 5.035 ( 1.478 10.621 0.083) 10.724 5.085 ( -0.095 -6.057 4.408) 7.492 5.238 ( 1.445 -12.417 3.109) 12.881 5.332 ( -3.851 -6.908 0.837) 7.953 5.535 ( 7.772 -8.866 -0.254) 11.793 5.648 ( 0.856 -7.219 5.427) 9.072 6.381 ( 3.985 2.600 -1.875) 5.114 6.430 ( -3.371 0.290 -6.412) 7.250 6.586 ( -1.604 4.002 -1.647) 4.615 6.613 ( -7.333 -3.592 -3.834) 9.021 6.795 ( -0.427 6.519 0.199) 6.536 6.902 ( -10.035 12.021 0.616) 15.671 7.046 ( 0.999 6.106 -2.351) 6.619 7.104 ( -0.251 1.137 -1.632) 2.005 7.177 ( 4.553 13.136 -2.194) 14.075 7.358 ( -8.413 10.785 -3.204) 14.048 7.711 ( 5.313 1.248 -5.069) 7.449 7.757 ( 0.017 1.033 -2.399) 2.612 8.035 ( 6.801 -2.781 -1.353) 7.471 8.162 ( -5.413 0.407 -1.612) 5.662 8.332 ( 2.331 12.420 -4.030) 13.264 8.432 ( -5.136 11.396 -4.994) 13.461 8.766 ( 7.008 -1.565 -5.363) 8.962 8.952 ( -10.212 -4.465 -6.339) 12.822 9.095 ( 6.603 3.303 -8.427) 11.204 9.189 ( -1.485 3.556 -9.695) 10.433 9.476 ( 10.146 -0.956 2.026) 10.390 9.578 ( 1.302 1.963 4.716) 5.271 9.696 ( 0.014 -5.009 9.507) 10.746 9.865 ( -12.636 -9.184 4.861) 16.360 10.283 ( 0.917 -7.710 -0.948) 7.822 10.302 ( -1.105 -3.327 1.523) 3.822 10.766 ( 13.743 -1.482 -4.977) 14.691 10.876 ( 1.071 -5.893 -1.576) 6.194 10.971 ( -2.096 -7.166 -1.396) 7.596 11.087 ( -12.146 -7.233 0.354) 14.141 11.671 ( 7.258 -19.615 -5.806) 21.705 11.757 ( -1.288 -18.893 -1.491) 18.995 12.723 ( 7.445 3.316 3.143) 8.735 12.883 ( -8.771 3.073 2.683) 9.673 13.191 ( 2.825 -3.230 0.156) 4.294 13.232 ( -1.288 0.318 1.688) 2.147 13.656 ( 2.196 8.966 2.303) 9.514 13.677 ( 0.712 8.896 0.258) 8.929 13.897 ( 7.749 7.796 0.874) 11.027 14.044 ( -6.662 4.963 -5.948) 10.217 14.393 ( 5.274 -6.542 1.419) 8.522 14.491 ( -3.696 -6.667 0.731) 7.659 14.646 ( 8.749 -7.856 -1.807) 11.897 14.817 ( -6.299 -12.419 1.377) 13.993 15.899 ( 3.057 4.345 -0.703) 5.359 16.042 ( -12.396 10.304 0.204) 16.120 16.870 ( 4.207 -7.185 -0.028) 8.326 16.947 ( -3.015 -5.281 -0.901) 6.148 17.270 ( 0.398 2.902 -0.979) 3.088 17.284 ( -1.098 2.518 -0.263) 2.760 17.447 ( 8.839 -2.259 0.984) 9.176 17.622 ( -8.273 -4.092 -0.879) 9.272 18.664 ( 0.717 4.962 -2.563) 5.630 18.690 ( -2.098 3.589 -1.691) 4.488 19.090 ( 4.384 -4.445 -2.075) 6.579 19.158 ( -2.274 -5.383 -3.570) 6.848 27.543 ( 0.202 0.661 1.090) 1.291 27.548 ( -0.324 0.695 0.943) 1.216 27.657 ( 1.443 -0.939 1.314) 2.166 27.686 ( -1.410 -1.115 1.140) 2.129 28.875 ( 8.225 10.703 1.385) 13.569 29.119 ( -17.190 14.359 -1.400) 22.442 29.480 ( 7.851 -6.578 0.919) 10.283 29.651 ( -9.208 -4.116 0.285) 10.090 30.615 ( 9.886 17.145 -6.622) 20.870 30.809 ( -9.268 17.064 -4.164) 19.860 31.460 ( 10.587 -0.679 -5.785) 12.083 31.584 ( -2.614 2.499 4.143) 5.499 31.904 ( 2.261 2.029 5.075) 5.915 31.997 ( -6.736 -3.411 3.925) 8.509 32.983 ( 11.041 -21.039 9.011) 25.412 33.151 ( -6.285 -20.513 8.145) 22.948 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 0.000 36.068 21.300) 41.888 2.966 ( 0.000 38.883 8.906) 39.890 4.142 ( 0.000 4.916 6.949) 8.512 4.198 ( 0.000 11.365 7.392) 13.557 4.373 ( 0.000 -30.137 5.208) 30.584 4.532 ( 0.000 20.916 12.061) 24.145 4.749 ( 0.000 -9.786 9.486) 13.629 4.875 ( 0.000 -7.713 18.982) 20.489 4.948 ( 0.000 6.538 5.708) 8.679 5.213 ( 0.000 19.009 -0.551) 19.017 5.826 ( 0.000 6.823 -1.551) 6.997 5.987 ( 0.000 -9.927 -4.496) 10.898 6.098 ( 0.000 10.751 -5.154) 11.923 6.468 ( 0.000 -7.091 -11.937) 13.884 6.573 ( 0.000 0.022 4.207) 4.207 6.744 ( 0.000 -5.421 -1.403) 5.600 6.781 ( 0.000 -13.592 -1.362) 13.660 7.115 ( 0.000 -10.911 -2.461) 11.185 7.259 ( 0.000 13.205 -1.630) 13.305 7.361 ( 0.000 11.435 -3.967) 12.104 7.447 ( 0.000 3.246 0.763) 3.335 7.578 ( 0.000 2.113 -1.837) 2.800 7.682 ( 0.000 4.742 -0.881) 4.823 7.776 ( 0.000 1.827 -1.836) 2.590 7.934 ( 0.000 8.300 -0.584) 8.320 8.387 ( 0.000 -0.232 -3.048) 3.056 8.574 ( 0.000 5.919 1.801) 6.187 8.723 ( 0.000 15.019 -10.609) 18.388 8.973 ( 0.000 8.796 -11.467) 14.452 9.053 ( 0.000 19.520 -1.717) 19.596 9.103 ( 0.000 6.074 -10.390) 12.035 9.128 ( 0.000 -3.806 -1.140) 3.973 9.476 ( 0.000 12.105 2.101) 12.286 9.525 ( 0.000 -13.550 -8.287) 15.883 9.778 ( 0.000 4.352 0.690) 4.406 9.946 ( 0.000 -14.308 -0.798) 14.330 10.055 ( 0.000 0.606 -0.182) 0.633 10.068 ( 0.000 -14.030 -2.134) 14.192 10.180 ( 0.000 -9.101 5.689) 10.732 10.533 ( 0.000 -16.115 -3.632) 16.520 10.996 ( 0.000 -5.367 -3.006) 6.151 11.086 ( 0.000 -11.975 -8.015) 14.409 11.311 ( 0.000 -5.044 12.439) 13.423 11.398 ( 0.000 -6.826 6.512) 9.434 12.673 ( 0.000 6.823 1.654) 7.020 12.967 ( 0.000 -6.203 1.183) 6.314 13.248 ( 0.000 1.107 5.205) 5.322 13.273 ( 0.000 -0.024 1.157) 1.157 13.732 ( 0.000 9.734 2.379) 10.021 13.836 ( 0.000 12.923 -1.940) 13.068 13.954 ( 0.000 9.893 3.730) 10.572 14.091 ( 0.000 -7.460 1.731) 7.658 14.259 ( 0.000 0.756 -3.892) 3.965 14.273 ( 0.000 -6.275 -6.663) 9.153 14.461 ( 0.000 -9.810 1.379) 9.907 14.534 ( 0.000 -11.726 -3.446) 12.222 15.943 ( 0.000 8.584 0.339) 8.591 16.511 ( 0.000 -11.941 0.216) 11.943 16.727 ( 0.000 0.242 -0.066) 0.251 16.823 ( 0.000 -2.561 -0.284) 2.577 17.256 ( 0.000 4.250 1.078) 4.384 17.333 ( 0.000 0.318 -0.079) 0.328 17.456 ( 0.000 5.684 -1.199) 5.809 17.698 ( 0.000 -5.492 -2.416) 6.000 18.767 ( 0.000 3.785 -3.837) 5.390 18.841 ( 0.000 3.869 -1.402) 4.115 18.880 ( 0.000 -2.117 -3.571) 4.151 19.071 ( 0.000 -5.056 -3.143) 5.953 27.552 ( 0.000 0.902 1.226) 1.522 27.583 ( 0.000 1.540 0.755) 1.715 27.606 ( 0.000 -0.654 1.620) 1.747 27.684 ( 0.000 -1.960 1.064) 2.230 28.864 ( 0.000 5.894 2.996) 6.612 29.135 ( 0.000 -7.295 2.709) 7.782 29.866 ( 0.000 0.141 -0.453) 0.475 29.908 ( 0.000 -1.857 0.118) 1.861 30.828 ( 0.000 8.747 -29.062) 30.350 30.881 ( 0.000 4.359 -10.999) 11.831 31.367 ( 0.000 13.745 1.878) 13.872 31.683 ( 0.000 3.194 7.872) 8.496 32.098 ( 0.000 12.835 7.892) 15.067 32.103 ( 0.000 -12.741 17.999) 22.052 32.159 ( 0.000 -7.697 9.762) 12.431 32.844 ( 0.000 -19.576 4.776) 20.150 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 12.003 33.870 20.441) 41.342 3.044 ( 7.970 38.035 9.761) 40.068 3.989 ( -15.248 17.754 7.142) 24.468 4.089 ( -11.576 11.221 11.452) 19.775 4.442 ( 5.550 -29.314 8.157) 30.930 4.491 ( 1.544 1.571 9.465) 9.718 4.750 ( 0.398 -13.213 6.237) 14.617 4.879 ( -0.326 -9.422 11.249) 14.677 5.090 ( 10.836 10.629 9.542) 17.929 5.325 ( 10.335 19.057 -1.096) 21.707 5.844 ( 0.957 8.916 -1.319) 9.064 5.947 ( -10.133 16.753 -8.070) 21.177 6.076 ( 5.564 -11.471 0.076) 12.750 6.425 ( -4.547 -6.936 -9.364) 12.509 6.600 ( -3.728 -4.041 1.124) 5.612 6.680 ( 2.259 -2.749 -0.876) 3.665 6.831 ( 0.187 -9.242 -2.747) 9.644 6.965 ( -5.726 -9.037 0.631) 10.717 7.295 ( -0.199 10.932 -5.498) 12.238 7.372 ( -3.707 12.491 -0.887) 13.060 7.509 ( -3.284 10.714 2.012) 11.385 7.555 ( 9.809 4.739 -2.711) 11.226 7.732 ( -0.777 4.456 -2.895) 5.370 7.803 ( 7.363 -1.418 -1.920) 7.740 7.876 ( -5.157 6.530 -0.344) 8.328 8.328 ( -5.093 1.405 -3.663) 6.429 8.491 ( -6.582 2.212 2.545) 7.395 8.693 ( -2.255 11.551 -10.119) 15.521 8.922 ( -5.383 12.062 -4.276) 13.884 9.029 ( -6.870 -2.425 -8.339) 11.074 9.067 ( 2.327 -0.550 -7.648) 8.013 9.270 ( 10.208 12.893 -1.289) 16.495 9.303 ( -7.320 -4.529 -8.138) 11.846 9.615 ( 3.975 8.298 5.422) 10.680 9.775 ( -1.033 4.744 1.603) 5.113 9.904 ( -7.582 -8.608 1.241) 11.538 9.984 ( 2.008 -11.335 -0.489) 11.522 10.240 ( 1.453 -4.632 2.980) 5.696 10.288 ( 16.282 -12.576 -4.625) 21.087 10.577 ( 4.551 -13.900 -2.879) 14.907 10.960 ( -2.942 -3.401 -3.080) 5.451 11.126 ( 1.467 -11.991 -4.402) 12.858 11.240 ( -3.568 -3.805 4.463) 6.865 11.424 ( 0.740 -10.827 5.093) 11.988 12.713 ( 3.893 6.386 2.114) 7.772 13.001 ( 3.178 -6.203 1.561) 7.143 13.138 ( -8.217 2.929 2.830) 9.171 13.254 ( -2.791 -1.666 4.184) 5.298 13.801 ( 4.381 8.167 3.168) 9.794 13.861 ( 2.385 12.448 -4.105) 13.323 13.972 ( 2.147 9.507 4.446) 10.712 14.132 ( 3.663 -6.090 -0.077) 7.107 14.212 ( -2.542 -0.405 -4.301) 5.012 14.336 ( 4.606 -6.766 -4.072) 9.142 14.412 ( -3.569 -8.690 -0.643) 9.416 14.565 ( 1.376 -12.224 -2.176) 12.492 15.975 ( 3.329 9.803 0.528) 10.366 16.516 ( -5.129 0.040 -1.225) 5.273 16.595 ( -3.741 -5.884 2.410) 7.377 16.848 ( -0.746 -6.508 -0.591) 6.577 17.287 ( 2.878 3.015 0.431) 4.191 17.331 ( 0.163 0.874 -0.097) 0.894 17.432 ( -2.113 4.847 -0.697) 5.334 17.652 ( -4.445 -5.197 -2.042) 7.137 18.768 ( 0.095 4.092 -3.604) 5.454 18.815 ( -1.543 5.007 -2.406) 5.765 18.925 ( 3.202 -3.295 -2.837) 5.400 19.067 ( -0.629 -5.439 -3.343) 6.415 27.556 ( 0.406 1.061 1.178) 1.637 27.582 ( -0.153 1.813 0.836) 2.003 27.612 ( 0.720 -1.019 1.483) 1.938 27.676 ( -0.711 -1.845 1.056) 2.242 28.914 ( 5.139 6.558 2.713) 8.762 29.191 ( 5.573 -7.034 2.506) 9.317 29.682 ( -16.137 3.340 -1.353) 16.535 29.788 ( -10.290 -2.322 0.118) 10.549 30.809 ( 4.982 13.892 -15.046) 21.076 31.130 ( 14.426 -2.023 -16.114) 21.722 31.305 ( -5.487 13.370 -0.216) 14.454 31.670 ( -2.076 0.646 7.443) 7.754 32.009 ( -3.202 -3.016 9.189) 10.187 32.080 ( -1.783 11.791 7.729) 14.211 32.336 ( 11.312 -14.928 13.822) 23.277 32.814 ( -3.073 -19.726 5.207) 20.632 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 14.873 30.875 13.277) 36.752 3.284 ( 15.709 32.385 17.125) 39.860 3.655 ( -15.651 25.574 8.756) 31.236 3.752 ( -19.553 23.100 15.457) 33.983 4.530 ( 6.217 -25.949 7.548) 27.730 4.664 ( -0.919 -17.123 5.120) 17.896 4.685 ( 5.436 -25.438 8.025) 27.222 4.853 ( -4.768 -21.451 8.333) 23.502 5.337 ( 14.007 23.626 2.781) 27.606 5.540 ( 4.511 22.225 -1.033) 22.702 5.699 ( -5.625 17.626 -4.460) 19.032 5.834 ( -6.150 14.061 -1.851) 15.458 6.250 ( 8.903 -10.160 -1.540) 13.596 6.350 ( 0.286 -7.437 -4.531) 8.713 6.449 ( -6.111 -8.476 -2.006) 10.640 6.598 ( -12.966 -8.006 1.649) 15.328 6.900 ( 11.781 5.415 0.046) 12.966 7.076 ( 10.532 -3.216 -2.736) 11.346 7.152 ( -12.411 10.018 -1.740) 16.044 7.266 ( -7.450 7.115 -1.571) 10.421 7.513 ( 4.172 14.916 -1.066) 15.525 7.641 ( -7.201 15.357 -2.369) 17.126 7.725 ( 5.451 1.817 -2.884) 6.429 7.801 ( -2.214 2.237 -0.262) 3.158 7.998 ( 10.700 -0.145 -2.256) 10.936 8.201 ( -8.844 4.643 -4.206) 10.838 8.434 ( 4.299 -5.867 1.154) 7.364 8.607 ( -8.690 0.957 -4.229) 9.712 8.825 ( -2.482 7.991 -6.940) 10.871 8.860 ( -5.271 1.309 -9.021) 10.529 9.152 ( 4.137 -2.316 -6.971) 8.431 9.219 ( -2.924 -2.960 -6.731) 7.913 9.486 ( 11.352 5.660 1.904) 12.827 9.684 ( 2.944 7.625 5.199) 9.687 9.709 ( -10.805 -2.769 2.814) 11.504 9.739 ( -2.523 5.659 3.551) 7.141 10.085 ( 6.339 -7.781 -1.759) 10.190 10.200 ( -4.714 -3.795 -0.103) 6.052 10.593 ( 12.414 -15.975 -2.412) 20.375 10.679 ( 3.604 -14.450 -0.953) 14.923 10.906 ( -0.915 2.473 -2.668) 3.751 11.012 ( -9.392 2.001 0.715) 9.630 11.301 ( 6.081 -14.882 -5.528) 17.000 11.400 ( -3.347 -14.488 -0.903) 14.897 12.819 ( 6.644 5.556 2.844) 9.116 12.968 ( -8.218 4.689 2.958) 9.913 13.085 ( 4.677 -6.069 2.729) 8.134 13.178 ( -4.524 -4.269 3.789) 7.284 13.861 ( 2.141 9.527 2.972) 10.207 13.887 ( -0.263 10.216 -0.296) 10.224 14.047 ( 4.728 6.205 -0.769) 7.838 14.133 ( -3.690 3.693 -4.967) 7.205 14.241 ( 4.912 -7.149 -0.043) 8.674 14.334 ( -4.351 -7.080 -1.615) 8.466 14.451 ( 6.424 -9.885 -2.274) 12.006 14.552 ( -3.078 -11.984 -1.876) 12.514 16.082 ( 7.809 12.242 0.969) 14.553 16.285 ( -12.435 12.207 0.915) 17.449 16.665 ( 5.936 -11.988 0.764) 13.399 16.783 ( -5.301 -9.833 -0.051) 11.171 17.327 ( 1.243 2.604 -0.705) 2.970 17.355 ( -0.441 3.489 -1.453) 3.805 17.419 ( 3.727 -0.625 0.978) 3.903 17.537 ( -6.632 -3.929 -0.881) 7.759 18.774 ( 0.568 5.044 -3.237) 6.020 18.790 ( -1.007 5.729 -2.857) 6.480 18.989 ( 3.114 -4.934 -3.071) 6.594 19.041 ( -2.005 -5.665 -3.404) 6.907 27.566 ( 0.553 1.447 1.078) 1.887 27.576 ( -0.428 1.804 0.972) 2.094 27.633 ( 1.226 -1.353 1.235) 2.204 27.657 ( -1.185 -1.602 1.088) 2.271 29.070 ( 10.827 7.814 1.754) 13.467 29.337 ( -7.328 3.009 0.374) 7.930 29.350 ( 0.706 -1.625 1.481) 2.309 29.562 ( -11.745 -4.253 0.933) 12.526 30.966 ( 9.432 15.021 -8.769) 19.786 31.149 ( -8.527 14.350 -3.909) 17.144 31.399 ( 11.087 -5.273 -8.056) 14.684 31.580 ( -7.031 -4.225 1.527) 8.343 31.994 ( 1.199 5.452 7.022) 8.970 32.035 ( -2.495 9.929 7.514) 12.699 32.554 ( 10.097 -18.664 10.110) 23.506 32.720 ( -6.577 -19.805 6.792) 21.946 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 0.000 -21.477 7.459) 22.736 3.568 ( 0.000 21.477 7.459) 22.736 3.802 ( 0.000 -17.582 10.061) 20.257 3.802 ( 0.000 17.582 10.061) 20.257 4.477 ( 0.000 -12.931 8.195) 15.309 4.477 ( 0.000 12.931 8.195) 15.309 4.700 ( 0.000 -8.747 15.598) 17.883 4.700 ( 0.000 8.747 15.598) 17.883 5.604 ( 0.000 -25.958 2.974) 26.128 5.604 ( 0.000 25.958 2.974) 26.128 5.637 ( 0.000 -21.653 0.352) 21.656 5.637 ( 0.000 21.653 0.352) 21.656 6.333 ( 0.000 -6.900 -12.727) 14.477 6.333 ( 0.000 6.900 -12.727) 14.477 6.624 ( 0.000 -3.671 -0.223) 3.678 6.624 ( 0.000 3.671 -0.223) 3.678 6.777 ( 0.000 -15.304 4.294) 15.895 6.777 ( 0.000 15.304 4.294) 15.895 7.443 ( 0.000 -3.942 -1.895) 4.374 7.443 ( 0.000 3.942 -1.895) 4.374 7.559 ( 0.000 -4.648 -5.886) 7.500 7.559 ( 0.000 4.648 -5.886) 7.500 7.749 ( 0.000 -2.171 3.604) 4.207 7.749 ( 0.000 2.171 3.604) 4.207 8.205 ( 0.000 -13.365 -2.870) 13.669 8.205 ( 0.000 13.365 -2.870) 13.669 8.805 ( 0.000 -10.721 -5.086) 11.866 8.805 ( 0.000 10.721 -5.086) 11.866 9.053 ( 0.000 -2.330 -13.318) 13.520 9.053 ( 0.000 2.330 -13.318) 13.520 9.264 ( 0.000 -9.293 -8.919) 12.880 9.264 ( 0.000 9.293 -8.919) 12.880 9.540 ( 0.000 -19.631 0.685) 19.643 9.540 ( 0.000 19.631 0.685) 19.643 9.780 ( 0.000 -12.138 1.066) 12.185 9.780 ( 0.000 12.138 1.066) 12.185 9.948 ( 0.000 -11.103 7.432) 13.360 9.948 ( 0.000 11.103 7.432) 13.360 10.203 ( 0.000 -13.533 -2.116) 13.698 10.203 ( 0.000 13.533 -2.116) 13.698 10.938 ( 0.000 -1.377 -8.121) 8.237 10.938 ( 0.000 1.377 -8.121) 8.237 11.294 ( 0.000 -2.637 9.097) 9.471 11.294 ( 0.000 2.637 9.097) 9.471 12.823 ( 0.000 -7.145 1.551) 7.311 12.823 ( 0.000 7.145 1.551) 7.311 13.267 ( 0.000 -0.602 3.204) 3.261 13.267 ( 0.000 0.602 3.204) 3.261 13.914 ( 0.000 -8.116 2.422) 8.470 13.914 ( 0.000 8.116 2.422) 8.470 14.092 ( 0.000 -10.637 -2.455) 10.916 14.092 ( 0.000 10.637 -2.455) 10.916 14.178 ( 0.000 -9.438 3.685) 10.132 14.178 ( 0.000 9.438 3.685) 10.132 14.370 ( 0.000 -3.264 -7.942) 8.587 14.370 ( 0.000 3.264 -7.942) 8.587 16.208 ( 0.000 -14.941 1.618) 15.029 16.208 ( 0.000 14.941 1.618) 15.029 16.765 ( 0.000 -2.595 -0.186) 2.602 16.765 ( 0.000 2.595 -0.186) 2.602 17.321 ( 0.000 -1.715 0.671) 1.842 17.321 ( 0.000 1.715 0.671) 1.842 17.577 ( 0.000 -5.750 -2.352) 6.212 17.577 ( 0.000 5.750 -2.352) 6.212 18.829 ( 0.000 -2.590 -3.977) 4.747 18.829 ( 0.000 2.590 -3.977) 4.747 18.955 ( 0.000 -5.800 -2.645) 6.374 18.955 ( 0.000 5.800 -2.645) 6.374 27.575 ( 0.000 -1.187 1.215) 1.699 27.575 ( 0.000 1.187 1.215) 1.699 27.637 ( 0.000 -2.362 1.133) 2.620 27.637 ( 0.000 2.362 1.133) 2.620 28.992 ( 0.000 -6.267 3.115) 6.998 28.992 ( 0.000 6.267 3.115) 6.998 29.877 ( 0.000 -0.987 0.088) 0.991 29.877 ( 0.000 0.987 0.088) 0.991 30.923 ( 0.000 -0.823 -18.566) 18.584 30.923 ( 0.000 0.823 -18.566) 18.584 31.619 ( 0.000 -9.461 9.333) 13.290 31.619 ( 0.000 9.461 9.333) 13.290 32.016 ( 0.000 -4.121 9.235) 10.113 32.016 ( 0.000 4.121 9.235) 10.113 32.439 ( 0.000 -18.238 5.278) 18.987 32.439 ( 0.000 18.238 5.278) 18.987 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 8.257 -20.488 8.082) 23.521 3.653 ( 8.257 20.488 8.082) 23.521 3.867 ( 6.296 -19.516 10.477) 23.027 3.867 ( 6.296 19.516 10.477) 23.027 4.390 ( -8.300 -17.917 7.738) 21.208 4.390 ( -8.300 17.917 7.738) 21.208 4.582 ( -10.688 -15.261 14.901) 23.857 4.582 ( -10.688 15.261 14.901) 23.857 5.659 ( 6.076 -9.515 -0.743) 11.314 5.659 ( 6.076 9.515 -0.743) 11.314 5.763 ( 10.542 -2.406 2.096) 11.014 5.763 ( 10.542 2.406 2.096) 11.014 6.283 ( -6.114 -8.752 -11.392) 15.612 6.283 ( -6.114 8.752 -11.392) 15.612 6.591 ( -7.483 -6.749 1.803) 10.237 6.591 ( -7.483 6.749 1.803) 10.237 6.758 ( 5.604 -6.566 1.961) 8.852 6.758 ( 5.604 6.566 1.961) 8.852 7.442 ( -2.432 -3.380 -4.696) 6.276 7.442 ( -2.432 3.380 -4.696) 6.276 7.692 ( 8.363 -6.446 -0.376) 10.565 7.692 ( 8.363 6.446 -0.376) 10.565 7.713 ( 0.900 -6.157 0.270) 6.228 7.713 ( 0.900 6.157 0.270) 6.228 8.147 ( -4.986 -14.156 -1.463) 15.080 8.147 ( -4.986 14.156 -1.463) 15.080 8.701 ( -10.648 -12.173 -4.658) 16.830 8.701 ( -10.648 12.173 -4.658) 16.830 9.004 ( -2.820 -5.340 -11.909) 13.352 9.004 ( -2.820 5.340 -11.909) 13.352 9.167 ( -5.751 -9.043 -6.753) 12.667 9.167 ( -5.751 9.043 -6.753) 12.667 9.596 ( 3.160 -15.751 2.932) 16.331 9.596 ( 3.160 15.751 2.932) 16.331 9.860 ( -3.843 -3.148 3.139) 5.876 9.860 ( -3.843 3.148 3.139) 5.876 9.958 ( 11.967 -13.856 -0.993) 18.336 9.958 ( 11.967 13.856 -0.993) 18.336 10.284 ( 5.156 -10.929 0.043) 12.084 10.284 ( 5.156 10.929 0.043) 12.084 10.952 ( 1.847 -3.608 -8.045) 9.009 10.952 ( 1.847 3.608 -8.045) 9.009 11.258 ( -3.612 -4.732 6.568) 8.865 11.258 ( -3.612 4.732 6.568) 8.865 12.857 ( 3.344 -7.011 2.005) 8.022 12.857 ( 3.344 7.011 2.005) 8.022 13.203 ( -5.659 -2.914 3.463) 7.246 13.203 ( -5.659 2.914 3.463) 7.246 13.964 ( 4.022 -6.991 2.436) 8.425 13.964 ( 4.022 6.991 2.436) 8.425 14.120 ( 1.893 -8.612 -2.686) 9.218 14.120 ( 1.893 8.612 -2.686) 9.218 14.165 ( -0.062 -5.451 2.820) 6.138 14.165 ( -0.062 5.451 2.820) 6.138 14.369 ( -0.428 -4.970 -7.302) 8.843 14.369 ( -0.428 4.970 -7.302) 8.843 16.253 ( 4.407 -14.968 1.512) 15.677 16.253 ( 4.407 14.968 1.512) 15.677 16.702 ( -6.088 -7.049 0.170) 9.316 16.702 ( -6.088 7.049 0.170) 9.316 17.332 ( 1.249 -1.003 0.470) 1.669 17.332 ( 1.249 1.003 0.470) 1.669 17.540 ( -3.543 -5.261 -2.002) 6.651 17.540 ( -3.543 5.261 -2.002) 6.651 18.844 ( 1.471 -3.396 -3.855) 5.344 18.844 ( 1.471 3.396 -3.855) 5.344 18.945 ( -0.962 -5.850 -2.788) 6.551 18.945 ( -0.962 5.850 -2.788) 6.551 27.582 ( 0.680 -1.283 1.172) 1.866 27.582 ( 0.680 1.283 1.172) 1.866 27.632 ( -0.463 -2.235 1.102) 2.534 27.632 ( -0.463 2.235 1.102) 2.534 29.050 ( 5.821 -6.381 2.863) 9.099 29.050 ( 5.821 6.381 2.863) 9.099 29.738 ( -12.205 -2.330 -0.068) 12.426 29.738 ( -12.205 2.330 -0.068) 12.426 31.032 ( 9.381 -7.296 -15.525) 19.552 31.032 ( 9.381 7.296 -15.525) 19.552 31.556 ( -5.687 -9.953 5.694) 12.799 31.556 ( -5.687 9.953 5.694) 12.799 32.079 ( 5.610 -8.854 9.855) 14.387 32.079 ( 5.610 8.854 9.855) 14.387 32.410 ( -2.891 -17.953 5.798) 19.086 32.410 ( -2.891 17.953 5.798) 19.086 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 12.622 -19.960 9.749) 25.550 3.869 ( 12.622 19.960 9.749) 25.550 4.019 ( 5.591 -22.193 13.421) 26.531 4.019 ( 5.591 22.193 13.421) 26.531 4.197 ( -7.246 -23.550 5.858) 25.327 4.197 ( -7.246 23.550 5.858) 25.327 4.334 ( -13.082 -22.747 12.044) 28.873 4.334 ( -13.082 22.747 12.044) 28.873 5.820 ( 9.548 -10.068 -4.920) 14.722 5.820 ( 9.548 10.068 -4.920) 14.722 5.956 ( 2.461 -5.499 -3.457) 6.946 5.956 ( 2.461 5.499 -3.457) 6.946 6.161 ( 0.933 -5.784 -2.486) 6.364 6.161 ( 0.933 5.784 -2.486) 6.364 6.369 ( -13.230 -7.940 3.346) 15.788 6.369 ( -13.230 7.940 3.346) 15.788 6.995 ( 15.589 -3.870 -0.514) 16.070 6.995 ( 15.589 3.870 -0.514) 16.070 7.292 ( -12.697 -3.239 -1.842) 13.232 7.292 ( -12.697 3.239 -1.842) 13.232 7.720 ( 4.499 -4.559 -1.244) 6.525 7.720 ( 4.499 4.559 -1.244) 6.525 7.831 ( -3.183 -3.380 -2.155) 5.119 7.831 ( -3.183 3.380 -2.155) 5.119 8.153 ( 10.292 -14.205 -0.593) 17.552 8.153 ( 10.292 14.205 -0.593) 17.552 8.432 ( -15.147 -12.050 -3.405) 19.652 8.432 ( -15.147 12.050 -3.405) 19.652 8.995 ( 1.853 -9.200 -8.159) 12.435 8.995 ( 1.853 9.200 -8.159) 12.435 9.064 ( -4.671 -10.654 -5.823) 13.009 9.064 ( -4.671 10.654 -5.823) 13.009 9.668 ( 4.311 -8.196 2.209) 9.520 9.668 ( 4.311 8.196 2.209) 9.520 9.762 ( -5.058 -2.975 2.179) 6.259 9.762 ( -5.058 2.975 2.179) 6.259 10.202 ( 10.167 -17.232 -1.489) 20.063 10.202 ( 10.167 17.232 -1.489) 20.063 10.325 ( -1.954 -15.108 0.220) 15.235 10.325 ( -1.954 15.108 0.220) 15.235 11.027 ( 5.755 -7.631 -5.540) 11.048 11.027 ( 5.755 7.631 -5.540) 11.048 11.156 ( -6.462 -7.613 0.537) 10.000 11.156 ( -6.462 7.613 0.537) 10.000 12.949 ( 5.737 -6.475 2.937) 9.136 12.949 ( 5.737 6.475 2.937) 9.136 13.075 ( -6.767 -5.185 3.546) 9.234 13.075 ( -6.767 5.185 3.546) 9.234 14.038 ( 3.251 -5.659 2.330) 6.930 14.038 ( 3.251 5.659 2.330) 6.930 14.096 ( -2.675 -6.204 1.887) 7.015 14.096 ( -2.675 6.204 1.887) 7.015 14.243 ( 5.653 -6.446 -3.692) 9.335 14.243 ( 5.653 6.446 -3.692) 9.335 14.336 ( -3.245 -6.537 -5.867) 9.364 14.336 ( -3.245 6.537 -5.867) 9.364 16.376 ( 7.855 -14.425 1.245) 16.472 16.376 ( 7.855 14.425 1.245) 16.472 16.547 ( -8.908 -11.938 0.806) 14.917 16.547 ( -8.908 11.938 0.806) 14.917 17.375 ( 3.196 -1.612 -0.144) 3.582 17.375 ( 3.196 1.612 -0.144) 3.582 17.454 ( -4.588 -3.760 -1.104) 6.034 17.454 ( -4.588 3.760 -1.104) 6.034 18.880 ( 2.004 -4.701 -3.540) 6.217 18.880 ( 2.004 4.701 -3.540) 6.217 18.918 ( -1.705 -5.593 -3.138) 6.636 18.918 ( -1.705 5.593 -3.138) 6.636 27.600 ( 1.000 -1.551 1.093) 2.144 27.600 ( 1.000 1.551 1.093) 2.144 27.619 ( -0.867 -1.915 1.064) 2.356 27.619 ( -0.867 1.915 1.064) 2.356 29.217 ( 10.888 -6.245 2.058) 12.720 29.217 ( 10.888 6.245 2.058) 12.720 29.467 ( -14.008 -4.877 0.811) 14.855 29.467 ( -14.008 4.877 0.811) 14.855 31.233 ( 10.102 -9.953 -9.047) 16.822 31.233 ( 10.102 9.953 -9.047) 16.822 31.416 ( -8.285 -10.326 -1.396) 13.312 31.416 ( -8.285 10.326 -1.396) 13.312 32.206 ( 6.668 -13.712 9.128) 17.770 32.206 ( 6.668 13.712 9.128) 17.770 32.327 ( -5.347 -16.698 7.273) 18.981 32.327 ( -5.347 16.698 7.273) 18.981 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 0.000 39.092) 39.092 1.829 ( 0.000 0.000 45.219) 45.219 3.133 ( 0.000 0.000 74.477) 74.477 3.690 ( 0.000 0.000 5.548) 5.548 4.089 ( 0.000 0.000 16.342) 16.342 4.192 ( 0.000 0.000 4.533) 4.533 4.860 ( 0.000 0.000 4.041) 4.041 4.959 ( 0.000 0.000 -5.592) 5.592 5.512 ( 0.000 0.000 -0.944) 0.944 5.803 ( 0.000 0.000 -5.339) 5.339 5.990 ( 0.000 0.000 -7.084) 7.084 6.028 ( 0.000 0.000 20.697) 20.697 6.218 ( 0.000 0.000 8.778) 8.778 6.268 ( 0.000 0.000 -2.354) 2.354 6.345 ( 0.000 0.000 -3.422) 3.422 6.610 ( 0.000 0.000 -0.555) 0.555 6.611 ( 0.000 0.000 3.053) 3.053 6.646 ( 0.000 0.000 0.088) 0.088 6.800 ( 0.000 0.000 -18.075) 18.075 6.940 ( 0.000 0.000 0.148) 0.148 7.208 ( 0.000 0.000 1.311) 1.311 7.411 ( 0.000 0.000 -10.389) 10.389 7.625 ( 0.000 0.000 -10.523) 10.523 7.719 ( 0.000 0.000 -9.487) 9.487 7.882 ( 0.000 0.000 -11.174) 11.174 7.973 ( 0.000 0.000 0.143) 0.143 8.038 ( 0.000 0.000 0.087) 0.087 8.154 ( 0.000 0.000 6.272) 6.272 8.293 ( 0.000 0.000 -6.989) 6.989 8.392 ( 0.000 0.000 1.438) 1.438 8.882 ( 0.000 0.000 -1.495) 1.495 9.226 ( 0.000 0.000 -7.708) 7.708 9.513 ( 0.000 0.000 0.757) 0.757 9.844 ( 0.000 0.000 -13.184) 13.184 10.090 ( 0.000 0.000 -1.145) 1.145 10.096 ( 0.000 0.000 -6.522) 6.522 10.237 ( 0.000 0.000 -8.155) 8.155 10.317 ( 0.000 0.000 -1.065) 1.065 10.466 ( 0.000 0.000 -5.109) 5.109 10.860 ( 0.000 0.000 -2.394) 2.394 11.170 ( 0.000 0.000 -5.332) 5.332 11.597 ( 0.000 0.000 -2.878) 2.878 12.070 ( 0.000 0.000 -5.486) 5.486 12.431 ( 0.000 0.000 2.008) 2.008 12.615 ( 0.000 0.000 -1.189) 1.189 12.845 ( 0.000 0.000 -21.818) 21.818 12.852 ( 0.000 0.000 9.607) 9.607 13.207 ( 0.000 0.000 0.234) 0.234 13.424 ( 0.000 0.000 11.330) 11.330 13.499 ( 0.000 0.000 5.822) 5.822 13.702 ( 0.000 0.000 9.916) 9.916 13.869 ( 0.000 0.000 4.141) 4.141 14.140 ( 0.000 0.000 -1.467) 1.467 14.480 ( 0.000 0.000 3.757) 3.757 14.965 ( 0.000 0.000 6.440) 6.440 15.667 ( 0.000 0.000 -1.823) 1.823 15.948 ( 0.000 0.000 -6.490) 6.490 16.193 ( 0.000 0.000 -13.952) 13.952 16.813 ( 0.000 0.000 -3.248) 3.248 16.915 ( 0.000 0.000 -1.052) 1.052 17.152 ( 0.000 0.000 3.430) 3.430 17.271 ( 0.000 0.000 3.683) 3.683 17.328 ( 0.000 0.000 0.898) 0.898 17.820 ( 0.000 0.000 -6.477) 6.477 18.450 ( 0.000 0.000 -3.544) 3.544 18.888 ( 0.000 0.000 -2.541) 2.541 19.128 ( 0.000 0.000 -5.840) 5.840 19.529 ( 0.000 0.000 0.241) 0.241 27.569 ( 0.000 0.000 1.578) 1.578 27.577 ( 0.000 0.000 0.332) 0.332 27.678 ( 0.000 0.000 2.384) 2.384 27.770 ( 0.000 0.000 1.251) 1.251 28.427 ( 0.000 0.000 3.984) 3.984 28.668 ( 0.000 0.000 5.286) 5.286 29.507 ( 0.000 0.000 -6.796) 6.796 29.783 ( 0.000 0.000 -5.379) 5.379 30.062 ( 0.000 0.000 2.690) 2.690 30.520 ( 0.000 0.000 4.297) 4.297 30.584 ( 0.000 0.000 -2.340) 2.340 31.648 ( 0.000 0.000 7.507) 7.507 32.023 ( 0.000 0.000 11.654) 11.654 32.807 ( 0.000 0.000 19.400) 19.400 32.985 ( 0.000 0.000 -11.967) 11.967 34.519 ( 0.000 0.000 -4.523) 4.523 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 20.899 0.000 33.204) 39.233 2.069 ( 22.144 0.000 39.540) 45.319 3.371 ( 20.400 0.000 64.835) 67.969 3.424 ( -22.166 0.000 9.179) 23.992 3.814 ( -20.051 0.000 21.261) 29.224 4.354 ( 11.820 0.000 2.198) 12.023 4.907 ( -4.920 0.000 -4.905) 6.948 4.977 ( 3.747 0.000 0.905) 3.855 5.593 ( 7.505 0.000 -1.858) 7.731 5.820 ( -7.776 0.000 7.406) 10.738 5.877 ( -0.509 0.000 14.264) 14.273 5.993 ( -0.294 0.000 -8.081) 8.086 6.199 ( -1.718 0.000 6.806) 7.019 6.235 ( -2.513 0.000 -1.403) 2.878 6.327 ( -2.134 0.000 -2.680) 3.425 6.535 ( -6.607 0.000 -0.663) 6.640 6.591 ( 0.805 0.000 -0.519) 0.958 6.719 ( 3.842 0.000 0.594) 3.888 6.918 ( -1.242 0.000 -0.778) 1.466 6.970 ( 12.102 0.000 -15.221) 19.446 7.175 ( -3.322 0.000 0.649) 3.384 7.371 ( -10.072 0.000 -6.413) 11.941 7.485 ( -17.055 0.000 1.362) 17.109 7.629 ( 0.500 0.000 -10.283) 10.296 7.707 ( -1.093 0.000 -9.260) 9.324 7.918 ( 3.520 0.000 -10.728) 11.291 7.981 ( -0.395 0.000 -1.239) 1.300 8.248 ( -4.406 0.000 -7.525) 8.720 8.500 ( 9.264 0.000 -1.554) 9.394 8.684 ( 21.500 0.000 -1.420) 21.546 8.831 ( -2.778 0.000 -4.387) 5.192 9.235 ( -3.973 0.000 -3.402) 5.231 9.427 ( -3.074 0.000 -8.710) 9.237 9.749 ( -4.836 0.000 1.340) 5.018 10.117 ( 2.699 0.000 -1.043) 2.894 10.185 ( 3.906 0.000 -6.860) 7.894 10.263 ( 6.298 0.000 -0.288) 6.304 10.407 ( -5.093 0.000 -3.484) 6.170 10.450 ( 9.193 0.000 -3.895) 9.984 10.921 ( 5.186 0.000 -3.773) 6.414 11.157 ( -1.452 0.000 -5.389) 5.581 11.507 ( -12.810 0.000 -1.251) 12.871 12.093 ( 5.327 0.000 -10.519) 11.791 12.454 ( 2.245 0.000 1.468) 2.682 12.606 ( -1.036 0.000 -1.215) 1.597 12.667 ( -11.400 0.000 -20.987) 23.883 12.862 ( 1.098 0.000 9.568) 9.630 13.114 ( -6.857 0.000 4.447) 8.172 13.518 ( 7.036 0.000 7.596) 10.354 13.571 ( 5.028 0.000 0.712) 5.078 13.835 ( 5.834 0.000 5.690) 8.149 13.844 ( -2.502 0.000 4.216) 4.903 14.205 ( 10.301 0.000 -0.129) 10.302 14.559 ( 7.256 0.000 5.505) 9.108 14.928 ( -3.583 0.000 6.576) 7.489 15.692 ( 2.499 0.000 -2.209) 3.335 15.837 ( -28.423 0.000 -2.445) 28.528 15.920 ( -2.792 0.000 -5.958) 6.579 16.915 ( 3.699 0.000 -3.189) 4.884 16.953 ( 4.132 0.000 -4.123) 5.837 17.171 ( 1.823 0.000 3.105) 3.600 17.313 ( -1.496 0.000 1.084) 1.848 17.333 ( 6.445 0.000 0.645) 6.477 17.782 ( -3.850 0.000 -6.236) 7.329 18.463 ( 1.463 0.000 -3.151) 3.474 18.814 ( -7.601 0.000 -1.754) 7.801 19.126 ( 0.983 0.000 -2.526) 2.711 19.425 ( -7.683 0.000 0.500) 7.699 27.572 ( 0.225 0.000 1.192) 1.213 27.577 ( -0.042 0.000 0.464) 0.466 27.687 ( 0.903 0.000 2.244) 2.418 27.763 ( -0.776 0.000 1.313) 1.526 28.445 ( 1.880 0.000 4.024) 4.442 28.639 ( -2.752 0.000 5.004) 5.711 29.539 ( 3.057 0.000 -6.500) 7.183 29.760 ( -2.226 0.000 -5.427) 5.866 30.082 ( 3.104 0.000 2.842) 4.209 30.469 ( -4.976 0.000 4.256) 6.548 30.861 ( 23.029 0.000 -8.507) 24.550 31.641 ( -0.964 0.000 6.375) 6.448 32.014 ( -0.512 0.000 11.608) 11.620 32.510 ( -17.979 0.000 6.048) 18.969 33.275 ( 17.615 0.000 1.795) 17.706 34.331 ( -16.388 0.000 1.927) 16.501 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 29.229 0.000 23.354) 37.413 2.604 ( 30.111 0.000 31.493) 43.571 2.911 ( -28.666 0.000 15.319) 32.502 3.199 ( -28.725 0.000 26.712) 39.226 4.066 ( 34.892 0.000 46.111) 57.825 4.583 ( 10.893 0.000 -0.521) 10.905 4.733 ( -28.078 0.000 23.402) 36.552 4.774 ( -8.371 0.000 -3.033) 8.903 5.771 ( 9.607 0.000 -4.159) 10.468 5.778 ( 7.035 0.000 0.837) 7.085 5.910 ( -2.437 0.000 0.230) 2.448 5.936 ( -6.151 0.000 -7.454) 9.664 6.198 ( 3.891 0.000 7.625) 8.560 6.215 ( 1.279 0.000 -1.057) 1.660 6.268 ( -3.352 0.000 -2.587) 4.234 6.365 ( -10.712 0.000 4.808) 11.742 6.643 ( 3.910 0.000 0.571) 3.951 6.723 ( -3.329 0.000 1.804) 3.787 6.958 ( 5.409 0.000 -2.284) 5.872 7.050 ( -3.041 0.000 -5.086) 5.926 7.078 ( -6.424 0.000 -5.673) 8.570 7.080 ( -6.040 0.000 -1.006) 6.123 7.600 ( 15.775 0.000 -5.503) 16.708 7.648 ( 1.409 0.000 -9.480) 9.584 7.679 ( -1.599 0.000 -9.047) 9.187 7.887 ( -10.490 0.000 -3.014) 10.915 8.012 ( 5.774 0.000 -9.829) 11.400 8.136 ( -6.415 0.000 -8.694) 10.804 8.681 ( 9.677 0.000 -7.087) 11.994 8.838 ( 1.436 0.000 -8.367) 8.489 8.902 ( 1.419 0.000 -9.580) 9.685 8.994 ( -12.123 0.000 -11.482) 16.697 9.550 ( 9.209 0.000 4.400) 10.206 9.676 ( -3.891 0.000 4.143) 5.684 10.192 ( 4.683 0.000 -1.012) 4.791 10.269 ( 5.521 0.000 7.718) 9.490 10.296 ( -5.700 0.000 -1.675) 5.941 10.349 ( -0.520 0.000 6.885) 6.904 10.692 ( 16.883 0.000 -7.014) 18.282 11.028 ( 5.077 0.000 -5.097) 7.194 11.109 ( -23.671 0.000 -0.710) 23.682 11.111 ( -3.247 0.000 -5.447) 6.341 12.279 ( 11.030 0.000 -21.852) 24.478 12.476 ( -8.979 0.000 -24.478) 26.073 12.512 ( 3.306 0.000 0.135) 3.309 12.571 ( -2.481 0.000 -0.964) 2.662 12.901 ( 2.996 0.000 9.185) 9.662 12.986 ( -5.621 0.000 7.665) 9.505 13.657 ( 6.627 0.000 5.426) 8.565 13.689 ( 6.673 0.000 -0.025) 6.674 13.771 ( -4.834 0.000 4.541) 6.632 13.815 ( -5.302 0.000 0.237) 5.308 14.532 ( 17.576 0.000 5.094) 18.300 14.716 ( 3.597 0.000 8.216) 8.969 14.866 ( 3.426 0.000 5.333) 6.339 15.252 ( -28.253 0.000 4.963) 28.686 15.760 ( 4.155 0.000 -3.263) 5.283 15.847 ( -4.329 0.000 -4.679) 6.374 16.966 ( 2.177 0.000 -2.002) 2.958 16.994 ( -0.239 0.000 -3.140) 3.149 17.218 ( 2.740 0.000 2.365) 3.620 17.272 ( -2.545 0.000 1.609) 3.011 17.500 ( 9.350 0.000 -3.934) 10.144 17.670 ( -7.386 0.000 -5.552) 9.240 18.518 ( 4.305 0.000 -1.856) 4.688 18.641 ( -8.223 0.000 -0.333) 8.230 19.183 ( 4.435 0.000 -1.669) 4.739 19.288 ( -6.085 0.000 -1.519) 6.272 27.575 ( 0.064 0.000 0.826) 0.829 27.576 ( -0.046 0.000 0.700) 0.701 27.712 ( 1.481 0.000 1.868) 2.384 27.741 ( -1.361 0.000 1.522) 2.042 28.498 ( 3.332 0.000 4.178) 5.344 28.571 ( -3.833 0.000 4.513) 5.921 29.615 ( 4.346 0.000 -5.976) 7.389 29.699 ( -3.870 0.000 -5.605) 6.811 30.187 ( 7.064 0.000 3.036) 7.688 30.339 ( -7.696 0.000 3.671) 8.527 31.313 ( 19.875 0.000 -8.820) 21.745 31.578 ( -6.875 0.000 0.708) 6.911 32.029 ( 3.125 0.000 10.145) 10.616 32.188 ( -13.317 0.000 5.393) 14.368 33.620 ( 17.497 0.000 5.768) 18.423 33.974 ( -18.438 0.000 6.923) 19.695 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 0.000 18.682 38.841) 43.101 2.061 ( 0.000 35.086 31.808) 47.358 3.338 ( 0.000 20.316 66.113) 69.164 3.813 ( 0.000 10.730 7.094) 12.863 4.090 ( 0.000 3.318 15.365) 15.719 4.377 ( 0.000 14.400 4.696) 15.147 4.885 ( 0.000 2.404 3.945) 4.619 5.089 ( 0.000 11.427 -5.316) 12.603 5.488 ( 0.000 -3.919 4.516) 5.979 5.658 ( 0.000 -12.946 -2.095) 13.114 5.889 ( 0.000 -16.380 5.814) 17.381 5.941 ( 0.000 -3.959 14.263) 14.802 6.221 ( 0.000 7.937 0.032) 7.937 6.361 ( 0.000 1.391 -8.178) 8.295 6.412 ( 0.000 1.068 -1.594) 1.919 6.469 ( 0.000 5.635 -4.149) 6.998 6.687 ( 0.000 8.175 -0.044) 8.175 6.797 ( 0.000 3.569 -4.524) 5.762 6.888 ( 0.000 5.799 -12.691) 13.953 7.094 ( 0.000 13.408 1.896) 13.542 7.217 ( 0.000 -6.878 -6.558) 9.503 7.304 ( 0.000 1.089 -3.123) 3.307 7.608 ( 0.000 -3.728 -9.212) 9.938 7.779 ( 0.000 -6.735 -8.189) 10.603 7.834 ( 0.000 9.408 -6.588) 11.485 8.140 ( 0.000 10.831 0.710) 10.854 8.141 ( 0.000 5.074 -2.601) 5.702 8.175 ( 0.000 5.709 1.749) 5.971 8.351 ( 0.000 6.201 -8.428) 10.463 8.417 ( 0.000 3.224 1.059) 3.394 8.878 ( 0.000 -0.541 -2.921) 2.970 9.196 ( 0.000 -2.761 -7.853) 8.324 9.477 ( 0.000 -2.698 1.206) 2.956 9.788 ( 0.000 -5.331 -12.391) 13.489 10.042 ( 0.000 -11.251 -9.457) 14.697 10.061 ( 0.000 -5.622 4.461) 7.177 10.126 ( 0.000 -1.874 -1.565) 2.442 10.232 ( 0.000 -0.204 -7.946) 7.949 10.428 ( 0.000 -3.909 -4.667) 6.088 10.997 ( 0.000 6.784 -3.493) 7.631 11.066 ( 0.000 -9.299 -5.333) 10.720 11.542 ( 0.000 -6.011 -2.151) 6.384 11.869 ( 0.000 -13.745 -2.153) 13.913 12.310 ( 0.000 -20.487 5.548) 21.225 12.512 ( 0.000 4.707 3.586) 5.917 12.933 ( 0.000 4.648 -12.677) 13.503 13.003 ( 0.000 12.618 1.205) 12.675 13.267 ( 0.000 2.444 -2.110) 3.229 13.412 ( 0.000 -0.984 10.516) 10.562 13.580 ( 0.000 6.935 7.512) 10.223 13.747 ( 0.000 4.107 9.112) 9.995 13.955 ( 0.000 6.209 -3.679) 7.218 14.150 ( 0.000 0.837 -1.319) 1.562 14.445 ( 0.000 -3.337 3.378) 4.748 14.910 ( 0.000 -5.076 6.369) 8.145 15.368 ( 0.000 -21.958 0.310) 21.961 15.891 ( 0.000 -4.388 -5.547) 7.073 16.339 ( 0.000 8.960 -12.532) 15.406 16.824 ( 0.000 0.813 -2.801) 2.916 16.909 ( 0.000 -1.226 -0.862) 1.498 17.140 ( 0.000 -0.317 2.517) 2.537 17.298 ( 0.000 2.376 3.340) 4.098 17.322 ( 0.000 -0.405 0.628) 0.747 17.795 ( 0.000 -2.306 -6.390) 6.793 18.489 ( 0.000 3.536 -3.481) 4.962 18.878 ( 0.000 -1.019 -3.200) 3.358 19.118 ( 0.000 -1.075 -5.272) 5.381 19.245 ( 0.000 -19.510 7.300) 20.831 27.567 ( 0.000 -0.119 1.537) 1.541 27.570 ( 0.000 -0.439 0.327) 0.547 27.674 ( 0.000 -0.404 2.330) 2.365 27.763 ( 0.000 -0.692 1.247) 1.426 28.692 ( 0.000 5.736 3.559) 6.751 28.985 ( 0.000 37.994 -13.168) 40.211 29.456 ( 0.000 -4.466 -3.174) 5.478 29.790 ( 0.000 0.904 -4.981) 5.063 30.053 ( 0.000 -0.595 2.642) 2.708 30.601 ( 0.000 1.741 -2.976) 3.448 30.658 ( 0.000 11.776 0.549) 11.789 31.669 ( 0.000 2.057 7.396) 7.677 32.043 ( 0.000 2.128 12.126) 12.312 32.754 ( 0.000 -4.838 18.973) 19.581 32.880 ( 0.000 -9.563 -9.536) 13.505 34.173 ( 0.000 -27.349 7.419) 28.338 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 13.198 22.390 33.752) 42.599 2.331 ( 20.843 24.155 31.733) 44.999 3.491 ( -6.924 11.939 31.666) 34.543 3.625 ( 4.333 18.085 35.266) 39.869 3.896 ( -15.834 8.287 21.099) 27.651 4.508 ( 10.933 13.352 1.950) 17.367 4.969 ( 2.145 0.988 0.359) 2.389 5.051 ( -2.509 11.375 -5.244) 12.774 5.521 ( 1.170 -6.539 7.502) 10.021 5.682 ( 1.581 -13.391 -1.176) 13.536 5.821 ( -5.927 -7.072 11.963) 15.108 5.953 ( 4.952 -8.152 7.867) 12.364 6.197 ( -1.883 9.940 -0.879) 10.155 6.299 ( -6.456 -2.903 -6.322) 9.491 6.375 ( -1.020 7.840 -2.459) 8.280 6.535 ( 4.259 3.446 -4.330) 6.983 6.654 ( -2.567 8.733 -1.068) 9.164 6.845 ( 4.151 0.873 -2.610) 4.981 6.933 ( -6.503 4.140 -0.857) 7.757 7.042 ( 4.017 7.155 -10.486) 13.315 7.177 ( -6.692 -0.766 -2.671) 7.246 7.311 ( 3.295 -3.381 -4.572) 6.572 7.451 ( -19.586 1.446 -0.159) 19.640 7.654 ( -0.474 -1.424 -8.864) 8.990 7.855 ( 0.236 12.326 -7.397) 14.377 7.932 ( 1.147 1.873 -8.186) 8.476 8.126 ( -1.767 11.657 -1.206) 11.851 8.244 ( -3.575 0.076 -6.917) 7.786 8.522 ( 8.010 2.473 -2.552) 8.763 8.710 ( 18.824 2.758 -3.676) 19.376 8.829 ( -2.610 -0.196 -5.691) 6.264 9.204 ( -4.708 -2.743 -3.157) 6.298 9.385 ( -1.943 -3.881 -8.782) 9.796 9.704 ( -3.482 -3.563 0.811) 5.047 10.058 ( -0.098 -12.195 4.371) 12.955 10.092 ( 1.328 -2.510 -1.799) 3.362 10.231 ( 9.753 -0.370 -8.344) 12.840 10.350 ( 5.703 -2.543 -3.633) 7.224 10.442 ( 4.750 -2.404 -4.805) 7.172 10.998 ( 0.251 3.940 -2.789) 4.834 11.048 ( -1.952 -9.243 -4.878) 10.632 11.490 ( -10.209 -2.263 -1.171) 10.522 11.837 ( 1.256 -18.184 -4.877) 18.869 12.200 ( -6.689 -18.301 -0.602) 19.494 12.598 ( 5.766 3.371 1.771) 6.910 12.889 ( -3.410 7.903 -11.361) 14.253 13.012 ( 0.580 12.522 1.638) 12.642 13.170 ( -6.043 4.171 2.721) 7.831 13.500 ( 5.963 -1.089 5.992) 8.524 13.599 ( 3.023 2.957 4.008) 5.826 13.829 ( 2.964 2.378 7.862) 8.732 13.931 ( -2.851 4.013 -3.677) 6.144 14.239 ( 11.047 2.592 -0.138) 11.348 14.523 ( 7.188 -3.488 4.988) 9.419 14.872 ( -3.701 -5.311 6.474) 9.155 15.341 ( -4.114 -21.039 0.522) 21.444 15.871 ( -1.913 -3.535 -4.995) 6.412 16.087 ( -18.165 12.426 -4.465) 22.457 16.898 ( 3.248 -2.016 -2.311) 4.467 16.950 ( 3.324 -0.458 -3.359) 4.748 17.175 ( 2.915 0.555 1.114) 3.170 17.307 ( -1.444 -0.355 0.809) 1.693 17.339 ( 4.667 0.830 1.649) 5.019 17.756 ( -3.972 -2.411 -6.041) 7.621 18.499 ( 1.080 3.245 -3.176) 4.667 18.792 ( -7.737 -1.931 -1.214) 8.066 19.106 ( 0.563 -2.305 -1.139) 2.632 19.248 ( -0.698 -12.157 0.692) 12.196 27.566 ( -0.062 -0.281 1.428) 1.457 27.569 ( -0.098 -0.454 0.470) 0.661 27.683 ( 0.870 -0.434 2.188) 2.395 27.755 ( -0.809 -0.715 1.324) 1.708 28.682 ( -0.705 7.339 3.345) 8.096 28.865 ( -8.548 28.084 -4.583) 29.711 29.492 ( 3.477 -4.102 -3.083) 6.199 29.776 ( -2.849 1.450 -5.027) 5.958 30.102 ( 5.941 2.501 1.247) 6.565 30.596 ( -5.539 11.041 0.857) 12.382 30.873 ( 22.097 0.974 -9.107) 23.920 31.662 ( -1.077 1.989 6.073) 6.481 32.033 ( -0.727 1.985 12.098) 12.281 32.457 ( -17.038 -4.852 6.008) 18.707 33.171 ( 16.700 -9.420 3.726) 19.532 34.051 ( -11.163 -22.965 8.984) 27.069 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 24.968 16.173 26.489) 39.833 2.817 ( 26.831 18.038 28.048) 42.802 3.043 ( -26.388 12.229 18.279) 34.351 3.364 ( -26.696 14.040 23.516) 38.246 4.214 ( 31.995 14.318 39.144) 52.545 4.723 ( 7.920 12.085 0.840) 14.474 4.796 ( -18.513 7.383 13.409) 24.022 4.932 ( -9.998 12.711 0.407) 16.177 5.557 ( 6.120 -11.532 4.056) 13.671 5.680 ( -3.495 -13.979 -0.173) 14.410 5.862 ( 8.286 -7.840 2.633) 11.707 6.030 ( -2.316 -5.540 0.238) 6.009 6.127 ( -2.604 5.535 -4.784) 7.766 6.179 ( -3.743 3.510 -1.889) 5.468 6.401 ( 4.750 9.947 1.859) 11.178 6.539 ( -6.389 11.349 1.046) 13.066 6.649 ( 3.859 1.536 -0.287) 4.163 6.762 ( -7.615 1.456 0.585) 7.775 6.966 ( 7.498 2.012 -2.645) 8.202 7.009 ( -4.100 -3.470 -3.096) 6.200 7.041 ( -3.664 -0.180 -5.348) 6.486 7.154 ( -10.465 4.402 -1.322) 11.430 7.515 ( 11.512 0.111 -8.607) 14.374 7.644 ( -2.125 -0.881 -8.513) 8.818 7.890 ( 4.790 13.919 -6.356) 16.033 8.010 ( 4.527 0.602 -8.698) 9.824 8.044 ( -6.506 10.584 -2.536) 12.679 8.138 ( -6.568 0.614 -8.254) 10.566 8.672 ( 8.424 -0.839 -7.147) 11.079 8.838 ( -0.184 0.211 -9.231) 9.235 8.884 ( 0.607 -1.456 -10.194) 10.315 8.974 ( -9.692 -1.481 -10.961) 14.706 9.534 ( 9.717 -1.136 3.286) 10.320 9.654 ( -2.953 -1.479 3.643) 4.917 10.077 ( 2.225 -10.415 4.757) 11.664 10.112 ( -0.254 -7.576 2.153) 7.880 10.361 ( 2.726 1.699 2.840) 4.288 10.377 ( 0.462 -0.979 1.023) 1.490 10.677 ( 15.855 -0.904 -6.351) 17.104 10.968 ( -8.403 -7.307 -3.198) 11.586 11.018 ( 2.264 -1.642 -3.792) 4.712 11.161 ( -16.151 -0.565 -2.266) 16.319 11.952 ( 7.620 -20.217 -11.773) 24.604 12.085 ( -5.730 -19.349 -9.068) 22.123 12.709 ( 5.462 5.352 -1.916) 7.883 12.811 ( -4.623 7.846 -7.218) 11.621 13.030 ( 1.441 11.473 1.998) 11.735 13.076 ( -3.411 8.462 3.133) 9.647 13.620 ( 5.751 -2.212 2.760) 6.751 13.668 ( 2.134 -0.722 4.160) 4.731 13.827 ( -1.413 4.047 1.692) 4.609 13.852 ( -3.969 2.961 -2.183) 5.411 14.522 ( 13.749 -1.724 4.647) 14.615 14.677 ( 2.414 -3.933 7.184) 8.539 14.818 ( 5.202 -4.428 5.151) 8.556 15.127 ( -17.447 -10.910 3.346) 20.847 15.828 ( -1.932 -0.072 -3.390) 3.903 15.841 ( -4.921 6.719 -1.889) 8.540 16.950 ( 2.282 -1.943 -1.672) 3.432 16.980 ( -0.359 -1.416 -2.499) 2.895 17.226 ( 2.261 0.827 1.158) 2.672 17.270 ( -2.192 0.024 1.170) 2.485 17.480 ( 8.605 -1.596 -2.785) 9.184 17.643 ( -7.309 -2.417 -5.002) 9.181 18.540 ( 3.311 2.136 -2.116) 4.472 18.638 ( -6.750 -0.037 -0.540) 6.772 19.147 ( 3.084 -3.298 -1.651) 4.807 19.210 ( -2.894 -6.207 -2.209) 7.195 27.565 ( 0.004 -0.472 1.156) 1.248 27.567 ( -0.101 -0.500 0.797) 0.946 27.705 ( 1.363 -0.571 1.869) 2.383 27.733 ( -1.325 -0.701 1.545) 2.153 28.680 ( 0.927 10.931 3.110) 11.402 28.732 ( -4.558 16.645 1.830) 17.355 29.581 ( 5.280 -2.965 -3.092) 6.799 29.689 ( -5.311 -0.982 -3.614) 6.499 30.262 ( 9.362 7.147 -0.026) 11.778 30.448 ( -8.969 9.732 0.315) 13.238 31.313 ( 19.880 -0.222 -9.409) 21.995 31.591 ( -7.746 1.016 -0.284) 7.817 32.037 ( 2.003 0.982 10.966) 11.190 32.162 ( -11.468 -2.146 6.466) 13.339 33.489 ( 15.537 -11.763 7.134) 20.752 33.787 ( -14.628 -16.151 9.377) 23.722 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 0.000 29.291 27.222) 39.988 2.768 ( 0.000 29.523 33.074) 44.334 3.985 ( 0.000 35.007 38.335) 51.914 4.093 ( 0.000 14.374 10.106) 17.571 4.274 ( 0.000 16.037 17.067) 23.420 4.746 ( 0.000 19.180 1.831) 19.267 4.905 ( 0.000 -4.517 6.758) 8.129 5.268 ( 0.000 -17.487 9.677) 19.986 5.350 ( 0.000 5.842 0.191) 5.845 5.360 ( 0.000 -12.019 5.541) 13.235 5.557 ( 0.000 -3.892 4.902) 6.259 5.881 ( 0.000 -1.771 11.717) 11.850 6.250 ( 0.000 -7.219 -0.246) 7.224 6.321 ( 0.000 -3.257 -13.525) 13.911 6.517 ( 0.000 8.724 -3.713) 9.481 6.741 ( 0.000 11.057 -5.244) 12.238 6.815 ( 0.000 2.986 -6.399) 7.062 6.895 ( 0.000 4.379 -2.993) 5.304 7.010 ( 0.000 -3.284 -4.789) 5.807 7.082 ( 0.000 9.553 -11.926) 15.280 7.372 ( 0.000 11.755 2.691) 12.059 7.438 ( 0.000 8.453 -1.804) 8.643 7.558 ( 0.000 -0.499 -8.420) 8.435 7.628 ( 0.000 -6.513 -5.035) 8.232 7.942 ( 0.000 0.933 -0.274) 0.972 8.213 ( 0.000 3.188 -4.746) 5.717 8.279 ( 0.000 9.249 -4.311) 10.204 8.520 ( 0.000 8.879 -3.105) 9.406 8.553 ( 0.000 21.467 -2.782) 21.646 8.567 ( 0.000 9.211 -7.120) 11.642 8.841 ( 0.000 -3.425 -7.134) 7.914 9.118 ( 0.000 -4.210 -7.807) 8.870 9.441 ( 0.000 0.523 3.317) 3.358 9.615 ( 0.000 -10.956 -10.943) 15.485 9.772 ( 0.000 -8.395 -3.206) 8.986 9.988 ( 0.000 -3.189 -5.129) 6.039 10.101 ( 0.000 -2.626 -0.981) 2.803 10.222 ( 0.000 -2.822 -6.360) 6.958 10.300 ( 0.000 -6.145 -3.327) 6.988 10.800 ( 0.000 -15.321 -4.711) 16.029 11.056 ( 0.000 -1.142 -2.331) 2.595 11.303 ( 0.000 -15.772 -2.469) 15.964 11.630 ( 0.000 -8.091 0.965) 8.148 11.878 ( 0.000 -18.990 12.452) 22.709 12.612 ( 0.000 5.024 5.013) 7.097 13.007 ( 0.000 1.519 -5.929) 6.121 13.284 ( 0.000 0.241 0.396) 0.464 13.311 ( 0.000 15.069 -8.889) 17.495 13.391 ( 0.000 -0.745 9.388) 9.417 13.752 ( 0.000 8.400 9.220) 12.473 13.871 ( 0.000 7.414 7.305) 10.408 14.051 ( 0.000 2.069 -8.690) 8.933 14.167 ( 0.000 0.370 -2.063) 2.096 14.337 ( 0.000 -6.731 1.397) 6.875 14.757 ( 0.000 -9.102 6.078) 10.945 14.888 ( 0.000 -21.626 0.689) 21.637 15.831 ( 0.000 0.545 -2.562) 2.620 16.494 ( 0.000 5.253 -7.919) 9.503 16.834 ( 0.000 -5.968 0.352) 5.978 16.835 ( 0.000 -0.082 -1.686) 1.688 17.172 ( 0.000 3.409 0.075) 3.410 17.319 ( 0.000 0.223 0.058) 0.230 17.361 ( 0.000 3.295 1.626) 3.674 17.724 ( 0.000 -4.318 -6.131) 7.499 18.591 ( 0.000 5.692 -3.280) 6.569 18.844 ( 0.000 -2.087 -4.349) 4.823 18.915 ( 0.000 -10.340 5.050) 11.507 19.079 ( 0.000 -2.679 -4.232) 5.008 27.568 ( 0.000 0.264 1.470) 1.493 27.571 ( 0.000 0.732 0.540) 0.909 27.661 ( 0.000 -0.780 2.192) 2.326 27.742 ( 0.000 -1.297 1.236) 1.791 28.816 ( 0.000 6.205 5.030) 7.988 29.339 ( 0.000 -6.041 1.950) 6.348 29.717 ( 0.000 23.856 -20.994) 31.778 29.818 ( 0.000 1.449 -3.546) 3.831 30.074 ( 0.000 5.576 -1.424) 5.755 30.645 ( 0.000 2.095 -6.260) 6.601 30.970 ( 0.000 16.537 -3.630) 16.930 31.733 ( 0.000 3.786 6.570) 7.583 32.126 ( 0.000 6.085 13.072) 14.419 32.608 ( 0.000 -15.035 -3.068) 15.344 32.612 ( 0.000 -8.223 17.902) 19.701 33.567 ( 0.000 -27.255 15.184) 31.199 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 10.364 28.650 26.511) 40.387 2.909 ( 13.613 26.941 31.699) 43.772 3.819 ( -18.438 17.400 15.458) 29.693 4.086 ( -8.980 16.961 20.363) 27.981 4.267 ( 10.991 31.980 31.836) 46.444 4.846 ( 9.011 14.244 1.778) 16.949 4.972 ( 4.747 -0.656 -0.417) 4.810 5.253 ( 1.159 -18.506 12.595) 22.416 5.324 ( -2.917 6.483 -1.972) 7.377 5.383 ( 1.279 -11.905 4.323) 12.730 5.606 ( -1.256 -2.727 2.157) 3.697 5.809 ( -2.750 -5.411 15.675) 16.809 6.271 ( 2.008 -4.580 -2.431) 5.560 6.301 ( -1.368 -2.755 -10.175) 10.630 6.526 ( 1.597 10.634 -2.932) 11.146 6.714 ( -7.550 1.190 -5.132) 9.207 6.778 ( 1.437 5.338 -3.228) 6.402 6.915 ( 0.828 10.649 -4.111) 11.444 6.971 ( -0.579 -3.439 -6.417) 7.303 7.155 ( -2.787 8.117 -4.447) 9.666 7.275 ( -10.160 7.594 -2.115) 12.860 7.363 ( 2.893 9.345 -0.927) 9.827 7.504 ( -5.525 2.283 -6.130) 8.563 7.669 ( 1.416 3.389 -5.746) 6.820 7.895 ( 0.293 -1.946 -2.407) 3.109 8.144 ( -1.011 8.268 -6.101) 10.325 8.253 ( -4.069 5.797 -8.260) 10.880 8.431 ( -3.232 12.384 -0.775) 12.823 8.640 ( 0.722 8.520 -3.512) 9.243 8.790 ( 9.898 2.203 -7.148) 12.406 8.832 ( 2.783 3.184 -10.697) 11.502 9.134 ( -7.094 -3.092 -2.901) 8.265 9.267 ( 1.758 -6.737 -8.422) 10.928 9.648 ( 1.028 -0.186 2.138) 2.380 9.820 ( 1.101 -8.458 2.943) 9.023 10.028 ( -2.400 -3.685 -2.978) 5.311 10.132 ( 7.613 -8.378 -7.415) 13.533 10.330 ( 10.126 -3.235 -4.356) 11.488 10.356 ( 4.353 -2.931 -2.022) 5.624 10.791 ( -0.017 -13.994 -4.818) 14.800 11.026 ( -2.952 -1.873 -0.772) 3.580 11.361 ( 4.108 -13.418 -5.176) 14.957 11.477 ( -13.276 -10.865 3.078) 17.429 11.815 ( -5.198 -17.130 3.607) 18.261 12.671 ( 5.177 4.037 4.662) 8.051 13.015 ( -0.974 4.217 -4.920) 6.553 13.169 ( -3.777 0.304 0.251) 3.798 13.326 ( -1.892 9.564 1.730) 9.902 13.492 ( 7.101 1.976 -0.933) 7.430 13.722 ( -0.815 8.309 5.357) 9.920 13.921 ( 2.062 5.844 6.117) 8.707 13.991 ( -4.380 1.778 -7.495) 8.861 14.266 ( 8.295 -1.095 -0.631) 8.391 14.410 ( 7.042 -6.988 2.513) 10.234 14.706 ( -4.058 -10.262 5.782) 12.458 14.901 ( 0.055 -19.028 1.014) 19.056 15.839 ( 0.931 2.169 -1.987) 3.085 16.323 ( -14.249 9.832 -3.714) 17.706 16.811 ( 1.558 -6.407 0.292) 6.600 16.918 ( 2.468 -2.885 -2.724) 4.672 17.207 ( 2.998 2.680 -1.015) 4.147 17.307 ( -0.992 0.551 0.167) 1.147 17.372 ( 1.576 2.112 1.531) 3.048 17.684 ( -3.958 -4.225 -5.575) 8.037 18.594 ( 0.343 5.401 -3.203) 6.289 18.748 ( -5.817 -1.681 -1.027) 6.141 18.985 ( 3.747 -7.398 0.408) 8.302 19.085 ( 0.373 -4.040 -4.376) 5.967 27.567 ( -0.025 0.401 1.403) 1.460 27.570 ( -0.095 0.754 0.662) 1.008 27.669 ( 0.740 -0.865 2.061) 2.355 27.733 ( -0.797 -1.272 1.296) 1.983 28.837 ( 2.355 7.511 4.629) 9.131 29.380 ( 0.841 -2.239 0.415) 2.427 29.412 ( -14.907 14.869 -6.507) 22.037 29.803 ( -6.249 0.454 -2.710) 6.826 30.237 ( 12.361 11.057 -6.484) 17.807 30.858 ( 8.885 6.369 -7.787) 13.422 30.924 ( 4.054 9.746 -6.638) 12.470 31.720 ( -2.018 3.072 4.333) 5.682 32.113 ( -1.232 5.867 13.046) 14.357 32.320 ( -13.363 -7.391 6.884) 16.751 32.905 ( 14.229 -14.738 8.530) 22.191 33.513 ( -5.242 -25.330 14.330) 29.571 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 19.451 25.164 23.945) 39.811 3.258 ( 17.870 22.219 29.787) 41.234 3.408 ( -18.878 21.054 17.217) 33.107 3.724 ( -22.481 18.822 23.241) 37.414 4.648 ( 21.431 23.287 21.650) 38.344 4.969 ( -6.795 4.631 3.049) 8.770 5.048 ( 8.428 14.539 1.274) 16.853 5.226 ( -7.959 10.286 2.946) 13.335 5.293 ( 2.454 -11.814 7.173) 14.038 5.370 ( -3.388 -12.123 6.221) 14.041 5.571 ( 6.426 -12.178 4.031) 14.347 5.762 ( -7.466 -12.237 5.382) 15.312 6.274 ( 2.858 3.092 -6.061) 7.380 6.344 ( 0.331 0.357 -3.486) 3.520 6.552 ( -1.182 3.813 -1.956) 4.445 6.579 ( -2.305 0.606 0.642) 2.468 6.780 ( 1.528 7.712 -1.206) 7.954 6.912 ( -9.520 1.053 -1.423) 9.683 6.995 ( 2.055 14.655 -1.558) 14.880 7.026 ( 5.120 -0.679 -5.414) 7.482 7.145 ( -3.453 13.921 -1.601) 14.432 7.283 ( -10.999 8.271 -3.831) 14.285 7.575 ( 9.081 3.440 -8.475) 12.889 7.676 ( -1.250 4.003 -5.874) 7.217 7.979 ( 6.361 -2.157 -4.535) 8.104 8.105 ( -5.395 -1.176 -4.357) 7.034 8.210 ( 3.274 14.421 -7.824) 16.731 8.346 ( -7.465 13.851 -3.799) 16.187 8.639 ( 3.788 -2.720 -7.213) 8.589 8.793 ( -9.518 -5.758 -9.192) 14.430 8.901 ( 4.645 4.367 -11.300) 12.974 8.975 ( -3.309 2.374 -11.612) 12.306 9.517 ( 13.440 -0.251 1.763) 13.557 9.652 ( -1.392 2.153 2.570) 3.630 9.838 ( 2.421 -9.984 4.989) 11.420 9.942 ( -6.087 -8.828 2.090) 10.925 10.252 ( 5.025 -8.827 -2.213) 10.395 10.347 ( -3.817 -4.688 2.448) 6.523 10.652 ( 18.772 -2.118 -6.426) 19.954 10.833 ( 3.617 -5.282 -2.550) 6.891 10.948 ( -4.424 -4.493 -0.756) 6.351 11.092 ( -19.645 -5.205 -0.114) 20.323 11.529 ( 8.519 -19.150 -8.648) 22.674 11.691 ( -7.412 -17.667 -5.455) 19.920 12.790 ( 6.532 3.741 2.890) 8.063 12.923 ( -6.699 4.603 0.026) 8.128 13.189 ( 3.775 1.741 0.065) 4.157 13.267 ( -3.720 5.712 1.699) 7.025 13.622 ( 5.936 3.855 -2.974) 7.677 13.708 ( -2.106 5.508 0.769) 5.946 13.923 ( -1.318 4.112 -4.584) 6.297 13.928 ( -0.987 5.080 1.059) 5.283 14.428 ( 7.335 -7.135 3.077) 10.686 14.533 ( -0.732 -9.622 3.476) 10.257 14.681 ( 6.450 -8.437 4.655) 11.596 14.845 ( -6.356 -14.303 2.005) 15.780 15.885 ( 4.506 6.839 -0.520) 8.206 16.045 ( -11.919 11.498 -0.027) 16.561 16.865 ( 3.286 -6.256 -0.560) 7.088 16.920 ( -1.806 -4.627 -1.781) 5.276 17.255 ( 1.627 1.931 -0.661) 2.611 17.283 ( -1.380 1.423 0.142) 1.988 17.448 ( 5.949 -1.245 -1.008) 6.161 17.577 ( -6.470 -3.492 -3.906) 8.326 18.609 ( 1.345 4.254 -2.795) 5.264 18.654 ( -3.465 1.800 -1.783) 4.292 19.046 ( 2.433 -5.972 -2.040) 6.763 19.081 ( -1.019 -5.408 -3.780) 6.676 27.567 ( 0.011 0.646 1.216) 1.377 27.568 ( -0.085 0.764 0.942) 1.216 27.688 ( 1.184 -1.037 1.764) 2.364 27.713 ( -1.218 -1.186 1.476) 2.252 28.919 ( 6.258 10.915 3.224) 12.988 29.099 ( -12.264 15.160 -0.303) 19.501 29.501 ( 7.095 -4.386 1.095) 8.413 29.654 ( -8.048 -2.376 -0.233) 8.395 30.485 ( 12.409 13.186 -5.949) 19.059 30.717 ( -10.753 14.661 -4.758) 18.793 31.291 ( 19.319 -2.172 -10.574) 22.130 31.603 ( -11.091 -0.722 -3.759) 11.733 32.090 ( -0.534 4.588 12.619) 13.438 32.126 ( -5.357 -0.183 10.164) 11.491 33.163 ( 11.866 -17.777 10.044) 23.616 33.370 ( -9.024 -21.408 12.257) 26.267 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 0.000 31.706 17.461) 36.196 3.354 ( 0.000 26.686 29.910) 40.085 4.332 ( 0.000 -1.807 12.466) 12.597 4.392 ( 0.000 13.591 11.681) 17.921 4.568 ( 0.000 -23.936 14.360) 27.913 4.792 ( 0.000 4.010 11.676) 12.345 5.002 ( 0.000 3.793 14.212) 14.709 5.162 ( 0.000 18.884 13.220) 23.052 5.213 ( 0.000 12.161 6.467) 13.774 5.285 ( 0.000 -5.895 19.411) 20.287 5.779 ( 0.000 11.273 -7.183) 13.367 5.843 ( 0.000 -4.792 -1.044) 4.904 6.075 ( 0.000 -5.290 0.885) 5.364 6.231 ( 0.000 -4.895 -10.689) 11.757 6.627 ( 0.000 3.114 0.274) 3.126 6.707 ( 0.000 -4.862 -2.274) 5.367 6.742 ( 0.000 -8.847 -2.415) 9.171 6.976 ( 0.000 -2.632 -11.812) 12.102 7.207 ( 0.000 10.795 -3.783) 11.439 7.257 ( 0.000 9.648 -6.768) 11.785 7.462 ( 0.000 -1.982 0.202) 1.992 7.509 ( 0.000 -1.248 -5.425) 5.567 7.664 ( 0.000 8.396 -0.542) 8.413 7.719 ( 0.000 13.688 -3.529) 14.135 7.931 ( 0.000 -0.275 0.273) 0.388 8.318 ( 0.000 5.061 -4.604) 6.842 8.521 ( 0.000 12.189 -9.608) 15.521 8.570 ( 0.000 -6.468 -2.459) 6.920 8.742 ( 0.000 6.985 -10.989) 13.021 8.843 ( 0.000 6.619 -14.798) 16.211 8.885 ( 0.000 0.485 -11.342) 11.353 9.136 ( 0.000 13.396 -2.439) 13.617 9.337 ( 0.000 -13.962 -9.372) 16.815 9.516 ( 0.000 4.863 -0.207) 4.868 9.765 ( 0.000 9.297 -1.182) 9.372 9.890 ( 0.000 -7.727 -4.202) 8.796 10.014 ( 0.000 -12.707 -3.282) 13.124 10.052 ( 0.000 0.726 0.402) 0.830 10.265 ( 0.000 -1.512 0.720) 1.674 10.450 ( 0.000 -16.382 -3.645) 16.782 10.955 ( 0.000 -14.924 -4.800) 15.677 10.955 ( 0.000 -7.925 -1.547) 8.075 11.500 ( 0.000 -4.342 3.755) 5.740 11.558 ( 0.000 -10.007 11.304) 15.097 12.730 ( 0.000 6.076 4.261) 7.421 12.977 ( 0.000 -4.078 -0.640) 4.127 13.310 ( 0.000 2.104 2.598) 3.344 13.376 ( 0.000 -0.644 6.905) 6.935 13.616 ( 0.000 13.063 -11.237) 17.231 13.928 ( 0.000 8.660 8.715) 12.286 14.013 ( 0.000 -1.198 -3.776) 3.961 14.070 ( 0.000 5.488 1.643) 5.729 14.154 ( 0.000 -1.269 -5.466) 5.611 14.191 ( 0.000 -4.889 -2.485) 5.485 14.481 ( 0.000 -16.527 0.255) 16.529 14.540 ( 0.000 -10.964 5.787) 12.398 15.957 ( 0.000 11.054 1.207) 11.120 16.512 ( 0.000 -6.619 -0.537) 6.640 16.715 ( 0.000 -1.693 -1.084) 2.010 16.812 ( 0.000 -2.133 -0.868) 2.303 17.263 ( 0.000 4.477 -0.919) 4.571 17.331 ( 0.000 0.718 -0.096) 0.725 17.430 ( 0.000 3.175 -1.126) 3.368 17.619 ( 0.000 -5.341 -5.683) 7.799 18.706 ( 0.000 3.912 -2.223) 4.499 18.794 ( 0.000 -2.492 -4.741) 5.356 18.804 ( 0.000 0.114 -1.806) 1.809 19.002 ( 0.000 -4.548 -3.637) 5.824 27.580 ( 0.000 0.911 1.463) 1.724 27.600 ( 0.000 1.635 0.741) 1.795 27.643 ( 0.000 -0.733 2.035) 2.163 27.707 ( 0.000 -1.933 1.219) 2.285 28.949 ( 0.000 6.230 5.645) 8.407 29.209 ( 0.000 -6.152 4.780) 7.791 29.846 ( 0.000 1.192 -1.778) 2.140 29.890 ( 0.000 0.011 -2.800) 2.800 30.367 ( 0.000 15.117 -17.014) 22.759 30.668 ( 0.000 -0.581 -10.243) 10.259 31.329 ( 0.000 16.845 -5.300) 17.660 31.801 ( 0.000 0.734 2.137) 2.260 32.305 ( 0.000 -11.088 5.982) 12.599 32.309 ( 0.000 10.251 12.910) 16.485 32.428 ( 0.000 -7.629 17.043) 18.673 33.046 ( 0.000 -21.906 14.190) 26.100 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 8.424 31.046 17.390) 36.568 3.465 ( 10.931 25.917 28.965) 40.375 4.196 ( -13.379 17.078 13.676) 25.646 4.362 ( -3.453 5.054 15.082) 16.277 4.631 ( 5.902 -20.682 10.884) 24.104 4.743 ( -4.912 -6.872 14.075) 16.416 4.954 ( -3.119 -7.810 14.320) 16.606 5.159 ( 0.076 8.170 17.838) 19.620 5.294 ( 8.482 15.376 -1.643) 17.637 5.340 ( 3.231 3.667 13.579) 14.432 5.767 ( -5.004 7.758 -9.200) 13.033 5.825 ( -0.962 6.425 0.256) 6.501 6.081 ( 4.191 -8.552 0.477) 9.535 6.241 ( 0.145 -4.088 -7.012) 8.118 6.592 ( -7.971 -3.845 -1.332) 8.949 6.690 ( 5.015 2.643 0.333) 5.679 6.771 ( 1.204 -7.461 -3.605) 8.373 6.898 ( -5.273 -6.715 -7.559) 11.403 7.162 ( 0.219 12.021 -7.579) 14.212 7.373 ( -2.609 7.139 0.445) 7.613 7.443 ( 7.300 6.520 -6.429) 11.710 7.560 ( -3.586 9.556 1.105) 10.267 7.654 ( 2.059 10.224 -5.151) 11.632 7.730 ( 3.962 2.653 -4.965) 6.884 7.868 ( -4.699 0.714 -0.926) 4.842 8.246 ( -6.425 5.419 -5.033) 9.797 8.491 ( -1.425 11.981 -10.051) 15.703 8.518 ( -3.808 -6.333 -0.182) 7.392 8.749 ( -3.847 5.674 -11.075) 13.025 8.840 ( -2.408 0.984 -10.403) 10.723 8.894 ( 1.370 -4.022 -10.635) 11.453 9.091 ( -9.227 -4.112 -11.887) 15.600 9.273 ( 11.896 14.099 0.370) 18.451 9.721 ( 6.875 2.370 2.341) 7.640 9.758 ( -0.487 8.144 -0.361) 8.167 9.906 ( 1.377 -11.789 -2.178) 12.067 9.952 ( -4.582 -3.569 -2.398) 6.283 10.168 ( 14.075 -9.173 -6.859) 18.146 10.325 ( -0.373 -3.099 4.567) 5.531 10.502 ( 7.875 -11.592 -4.693) 14.779 10.921 ( -1.991 -7.496 -1.329) 7.869 11.003 ( 3.500 -15.810 -5.825) 17.209 11.358 ( -12.347 -2.553 4.956) 13.548 11.510 ( -5.592 -10.766 3.775) 12.706 12.777 ( 4.394 5.762 4.293) 8.423 13.022 ( 4.221 -3.848 0.167) 5.715 13.198 ( -7.740 3.742 2.664) 9.000 13.366 ( -3.172 -2.580 6.942) 8.057 13.678 ( 5.281 11.747 -11.106) 17.007 13.916 ( -0.844 9.540 4.590) 10.620 14.011 ( -0.867 -0.016 -8.070) 8.117 14.070 ( 0.440 7.135 2.870) 7.703 14.185 ( 2.565 -4.797 0.816) 5.501 14.253 ( 5.351 -6.602 -3.805) 9.311 14.446 ( -1.924 -13.211 3.889) 13.905 14.564 ( 1.057 -13.201 3.185) 13.621 15.993 ( 3.749 11.883 1.435) 12.542 16.491 ( -5.001 3.493 -1.629) 6.314 16.636 ( -2.356 -7.372 1.805) 7.947 16.828 ( -0.532 -5.363 -1.426) 5.575 17.280 ( 1.499 3.713 -1.419) 4.248 17.329 ( 0.024 1.211 -0.146) 1.220 17.418 ( -0.892 2.215 -0.558) 2.452 17.584 ( -3.384 -5.006 -4.988) 7.835 18.703 ( -0.145 3.652 -2.595) 4.482 18.753 ( -1.847 3.201 -3.544) 5.120 18.859 ( 3.171 -4.515 -3.221) 6.388 18.994 ( -0.870 -4.919 -3.747) 6.245 27.583 ( 0.297 1.076 1.399) 1.790 27.600 ( -0.023 1.812 0.799) 1.980 27.647 ( 0.477 -1.042 1.912) 2.229 27.700 ( -0.696 -1.859 1.234) 2.337 28.991 ( 4.376 6.907 5.199) 9.690 29.260 ( 5.010 -5.960 4.451) 8.968 29.644 ( -15.267 6.189 -2.452) 16.655 29.786 ( -9.088 -1.794 -0.426) 9.273 30.520 ( 12.178 13.315 -12.926) 22.196 30.858 ( 15.993 -2.696 -12.054) 20.207 31.245 ( -7.931 15.848 -5.738) 18.627 31.742 ( -6.887 -3.129 -1.604) 7.732 32.202 ( -3.420 -0.832 11.272) 11.809 32.299 ( -1.828 11.305 13.718) 17.870 32.586 ( 10.268 -14.432 12.779) 21.841 33.016 ( -3.114 -21.404 13.823) 25.669 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( 15.068 28.593 17.462) 36.735 3.755 ( 15.622 24.588 27.731) 40.219 3.887 ( -14.658 23.407 14.590) 31.235 4.144 ( -17.668 20.365 22.949) 35.405 4.706 ( 4.734 -18.977 7.408) 20.915 4.798 ( 2.332 -18.057 9.268) 20.430 4.895 ( 2.192 -23.126 13.095) 26.666 5.079 ( -9.246 -15.915 14.388) 23.362 5.404 ( 7.228 17.564 3.375) 19.291 5.522 ( 4.544 19.323 -0.006) 19.850 5.622 ( -1.095 11.448 -2.214) 11.712 5.778 ( -6.348 9.422 -3.213) 11.807 6.190 ( 4.543 -6.604 -3.301) 8.669 6.279 ( 1.088 -4.581 -2.534) 5.347 6.439 ( -0.648 -6.872 0.999) 6.974 6.615 ( -11.322 -7.564 -0.887) 13.645 6.886 ( 11.235 6.319 -1.448) 12.971 6.995 ( 11.213 -1.383 -5.137) 12.411 7.099 ( -8.027 10.815 -3.614) 13.945 7.229 ( -10.452 4.655 -1.685) 11.565 7.491 ( 1.385 14.797 -1.063) 14.900 7.583 ( -6.090 18.220 -3.321) 19.496 7.647 ( 8.487 4.123 -5.380) 10.861 7.765 ( -2.786 2.956 -3.762) 5.536 7.931 ( 8.803 -0.907 -4.460) 9.910 8.100 ( -8.190 2.981 -5.833) 10.487 8.426 ( 1.250 -2.982 -3.167) 4.526 8.536 ( -1.137 2.009 -2.530) 3.425 8.631 ( -7.951 -1.733 -12.153) 14.626 8.663 ( -4.484 7.523 -9.876) 13.199 8.978 ( 3.737 -1.405 -10.428) 11.166 9.026 ( -1.348 -0.255 -11.830) 11.909 9.537 ( 13.287 3.786 2.618) 14.061 9.746 ( -3.122 0.170 -0.187) 3.132 9.757 ( -0.602 6.301 1.124) 6.429 9.783 ( -6.276 -2.729 1.161) 6.942 10.055 ( 8.269 -6.897 -0.760) 10.794 10.217 ( -7.429 -4.208 1.558) 8.679 10.530 ( 18.140 -11.176 -4.129) 21.703 10.672 ( 5.627 -11.683 0.725) 12.988 10.877 ( -1.773 -1.371 -0.458) 2.288 10.996 ( -11.964 -3.005 -2.413) 12.569 11.180 ( 4.162 -11.404 -6.227) 13.644 11.351 ( -9.719 -13.575 -3.973) 17.162 12.889 ( 6.690 5.574 3.790) 9.497 13.031 ( -7.246 5.575 2.684) 9.528 13.142 ( 5.868 -4.785 2.850) 8.090 13.268 ( -6.139 -3.895 4.965) 8.804 13.785 ( 5.105 9.721 -8.925) 14.150 13.873 ( -3.655 8.656 -4.320) 10.342 14.022 ( 1.946 5.417 -3.605) 6.792 14.061 ( -1.476 6.821 -0.102) 6.980 14.247 ( 3.450 -8.490 1.855) 9.350 14.305 ( -1.489 -10.414 -0.750) 10.547 14.471 ( 4.705 -10.820 4.533) 12.639 14.553 ( -2.514 -13.008 2.704) 13.522 16.109 ( 8.046 13.282 1.704) 15.622 16.304 ( -11.116 12.429 0.760) 16.692 16.681 ( 4.714 -10.970 0.763) 11.964 16.777 ( -4.292 -8.715 -0.610) 9.734 17.308 ( 1.261 2.973 -1.314) 3.486 17.330 ( -0.577 2.831 -1.052) 3.075 17.423 ( 2.316 -1.262 -0.585) 2.701 17.500 ( -4.651 -3.791 -3.075) 6.742 18.706 ( 0.498 4.336 -3.255) 5.445 18.723 ( -1.183 4.999 -3.546) 6.242 18.919 ( 2.789 -5.712 -3.578) 7.295 18.966 ( -1.909 -5.562 -3.804) 7.003 27.590 ( 0.396 1.480 1.234) 1.967 27.597 ( -0.250 1.845 1.005) 2.116 27.662 ( 0.951 -1.470 1.590) 2.366 27.682 ( -1.060 -1.697 1.330) 2.403 29.123 ( 9.037 8.291 3.714) 12.814 29.346 ( -12.749 8.319 0.915) 15.251 29.400 ( 7.759 -4.851 3.371) 9.752 29.588 ( -10.273 -3.760 1.644) 11.063 30.780 ( 13.510 13.650 -9.716) 21.523 31.034 ( -11.482 14.488 -7.428) 19.922 31.208 ( 16.881 -5.698 -11.041) 20.961 31.525 ( -14.293 -6.869 -7.128) 17.386 32.198 ( 2.001 7.474 13.269) 15.360 32.250 ( -2.866 10.581 13.714) 17.557 32.777 ( 8.754 -17.837 12.460) 23.453 32.924 ( -6.105 -20.018 13.034) 24.656 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 0.000 -6.212 14.101) 15.409 3.779 ( 0.000 6.212 14.101) 15.409 4.099 ( 0.000 -5.803 19.885) 20.715 4.099 ( 0.000 5.803 19.885) 20.715 4.666 ( 0.000 -11.569 10.186) 15.414 4.666 ( 0.000 11.569 10.186) 15.414 5.093 ( 0.000 -10.331 22.392) 24.661 5.093 ( 0.000 10.331 22.392) 24.661 5.575 ( 0.000 -16.824 -3.583) 17.202 5.575 ( 0.000 16.824 -3.583) 17.202 5.739 ( 0.000 -19.487 7.764) 20.976 5.739 ( 0.000 19.487 7.764) 20.976 6.116 ( 0.000 -5.971 -8.045) 10.019 6.116 ( 0.000 5.971 -8.045) 10.019 6.624 ( 0.000 -0.691 0.301) 0.753 6.624 ( 0.000 0.691 0.301) 0.753 6.781 ( 0.000 -10.729 -4.539) 11.649 6.781 ( 0.000 10.729 -4.539) 11.649 7.372 ( 0.000 -3.790 -5.720) 6.861 7.372 ( 0.000 3.790 -5.720) 6.861 7.451 ( 0.000 -3.858 -4.657) 6.048 7.451 ( 0.000 3.858 -4.657) 6.048 7.807 ( 0.000 -4.315 2.402) 4.939 7.807 ( 0.000 4.315 2.402) 4.939 8.141 ( 0.000 -16.764 -3.264) 17.079 8.141 ( 0.000 16.764 -3.264) 17.079 8.660 ( 0.000 -7.024 -8.889) 11.329 8.660 ( 0.000 7.024 -8.889) 11.329 8.782 ( 0.000 -0.263 -14.345) 14.348 8.782 ( 0.000 0.263 -14.345) 14.348 9.035 ( 0.000 -11.211 -13.784) 17.768 9.035 ( 0.000 11.211 -13.784) 17.768 9.504 ( 0.000 -12.226 -3.656) 12.761 9.504 ( 0.000 12.226 -3.656) 12.761 9.784 ( 0.000 -5.619 -0.917) 5.693 9.784 ( 0.000 5.619 -0.917) 5.693 10.085 ( 0.000 -15.880 1.683) 15.969 10.085 ( 0.000 15.880 1.683) 15.969 10.167 ( 0.000 -9.586 2.193) 9.833 10.167 ( 0.000 9.586 2.193) 9.833 10.806 ( 0.000 -2.584 -5.135) 5.748 10.806 ( 0.000 2.584 -5.135) 5.748 11.455 ( 0.000 -0.597 7.014) 7.039 11.455 ( 0.000 0.597 7.014) 7.039 12.862 ( 0.000 -6.164 2.387) 6.610 12.862 ( 0.000 6.164 2.387) 6.610 13.354 ( 0.000 -1.631 5.313) 5.558 13.354 ( 0.000 1.631 5.313) 5.558 13.860 ( 0.000 -9.989 -8.797) 13.310 13.860 ( 0.000 9.989 -8.797) 13.310 14.095 ( 0.000 -3.161 -0.942) 3.299 14.095 ( 0.000 3.161 -0.942) 3.299 14.186 ( 0.000 -8.715 -1.062) 8.779 14.186 ( 0.000 8.715 -1.062) 8.779 14.307 ( 0.000 -10.279 4.896) 11.386 14.307 ( 0.000 10.279 4.896) 11.386 16.250 ( 0.000 -14.994 2.588) 15.215 16.250 ( 0.000 14.994 2.588) 15.215 16.753 ( 0.000 -3.092 -1.219) 3.324 16.753 ( 0.000 3.092 -1.219) 3.324 17.330 ( 0.000 -1.382 -0.007) 1.382 17.330 ( 0.000 1.382 -0.007) 1.382 17.509 ( 0.000 -4.628 -4.404) 6.389 17.509 ( 0.000 4.628 -4.404) 6.389 18.747 ( 0.000 -1.686 -3.629) 4.002 18.747 ( 0.000 1.686 -3.629) 4.002 18.891 ( 0.000 -5.643 -3.634) 6.712 18.891 ( 0.000 5.643 -3.634) 6.712 27.603 ( 0.000 -1.073 1.439) 1.795 27.603 ( 0.000 1.073 1.439) 1.795 27.662 ( 0.000 -2.193 1.291) 2.544 27.662 ( 0.000 2.193 1.291) 2.544 29.079 ( 0.000 -6.102 5.749) 8.384 29.079 ( 0.000 6.102 5.749) 8.384 29.871 ( 0.000 -1.214 -0.952) 1.543 29.871 ( 0.000 1.214 -0.952) 1.543 30.596 ( 0.000 -6.649 -14.332) 15.799 30.596 ( 0.000 6.649 -14.332) 15.799 31.661 ( 0.000 -13.278 -4.682) 14.080 31.661 ( 0.000 13.278 -4.682) 14.080 32.248 ( 0.000 -4.943 14.375) 15.201 32.248 ( 0.000 4.943 14.375) 15.201 32.632 ( 0.000 -17.101 13.590) 21.843 32.632 ( 0.000 17.101 13.590) 21.843 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 9.192 -9.320 13.733) 18.972 3.872 ( 9.192 9.320 13.733) 18.972 4.159 ( 6.047 -8.947 19.421) 22.221 4.159 ( 6.047 8.947 19.421) 22.221 4.587 ( -7.618 -15.844 11.022) 20.749 4.587 ( -7.618 15.844 11.022) 20.749 4.958 ( -12.789 -14.343 22.348) 29.474 4.958 ( -12.789 14.343 22.348) 29.474 5.624 ( 4.719 -9.343 -3.332) 10.984 5.624 ( 4.719 9.343 -3.332) 10.984 5.794 ( 4.452 -9.889 0.537) 10.858 5.794 ( 4.452 9.889 0.537) 10.858 6.116 ( -0.806 -7.481 -3.770) 8.416 6.116 ( -0.806 7.481 -3.770) 8.416 6.604 ( -5.421 -5.654 -0.166) 7.835 6.604 ( -5.421 5.654 -0.166) 7.835 6.751 ( 3.771 -4.812 -3.112) 6.860 6.751 ( 3.771 4.812 -3.112) 6.860 7.342 ( -1.247 -5.333 -5.203) 7.555 7.342 ( -1.247 5.333 -5.203) 7.555 7.626 ( 11.259 -6.127 -5.034) 13.771 7.626 ( 11.259 6.127 -5.034) 13.771 7.737 ( -4.785 -5.616 0.696) 7.411 7.737 ( -4.785 5.616 0.696) 7.411 8.114 ( -2.651 -17.127 -1.893) 17.434 8.114 ( -2.651 17.127 -1.893) 17.434 8.579 ( -9.695 -11.332 -7.566) 16.723 8.579 ( -9.695 11.332 -7.566) 16.723 8.757 ( 0.196 -7.083 -12.733) 14.572 8.757 ( 0.196 7.083 -12.733) 14.572 8.971 ( -3.454 -7.714 -12.382) 14.991 8.971 ( -3.454 7.714 -12.382) 14.991 9.613 ( 5.475 -14.865 -1.140) 15.882 9.613 ( 5.475 14.865 -1.140) 15.882 9.848 ( 3.041 -7.668 -3.519) 8.969 9.848 ( 3.041 7.668 -3.519) 8.969 9.989 ( 0.756 -8.111 1.829) 8.349 9.989 ( 0.756 8.111 1.829) 8.349 10.304 ( 6.900 -5.949 2.369) 9.413 10.304 ( 6.900 5.949 2.369) 9.413 10.812 ( 1.373 -1.373 -5.968) 6.276 10.812 ( 1.373 1.373 -5.968) 6.276 11.365 ( -8.701 -3.326 4.218) 10.226 11.365 ( -8.701 3.326 4.218) 10.226 12.907 ( 4.255 -6.200 2.856) 8.044 12.907 ( 4.255 6.200 2.856) 8.044 13.290 ( -5.703 -4.260 4.904) 8.644 13.290 ( -5.703 4.260 4.904) 8.644 13.908 ( 4.020 -9.400 -8.774) 13.473 13.908 ( 4.020 9.400 -8.774) 13.473 14.088 ( -0.954 -3.038 -4.205) 5.275 14.088 ( -0.954 3.038 -4.205) 5.275 14.201 ( 1.730 -6.272 2.707) 7.047 14.201 ( 1.730 6.272 2.707) 7.047 14.310 ( 0.062 -10.675 4.359) 11.531 14.310 ( 0.062 10.675 4.359) 11.531 16.292 ( 4.109 -14.780 2.374) 15.523 16.292 ( 4.109 14.780 2.374) 15.523 16.699 ( -5.228 -6.559 -0.628) 8.411 16.699 ( -5.228 6.559 -0.628) 8.411 17.337 ( 0.766 -1.070 -0.248) 1.340 17.337 ( 0.766 1.070 -0.248) 1.340 17.482 ( -2.553 -4.150 -3.715) 6.127 17.482 ( -2.553 4.150 -3.715) 6.127 18.763 ( 1.537 -2.985 -3.754) 5.037 18.763 ( 1.537 2.985 -3.754) 5.037 18.879 ( -1.209 -5.630 -3.716) 6.853 18.879 ( -1.209 5.630 -3.716) 6.853 27.609 ( 0.587 -1.154 1.386) 1.897 27.609 ( 0.587 1.154 1.386) 1.897 27.657 ( -0.510 -2.057 1.266) 2.468 27.657 ( -0.510 2.057 1.266) 2.468 29.131 ( 5.135 -6.264 5.344) 9.704 29.131 ( 5.135 6.264 5.344) 9.704 29.735 ( -11.402 -3.068 -0.343) 11.813 29.735 ( -11.402 3.068 -0.343) 11.813 30.748 ( 12.973 -7.882 -13.182) 20.105 30.748 ( 12.973 7.882 -13.182) 20.105 31.557 ( -9.510 -12.917 -5.316) 16.898 31.557 ( -9.510 12.917 -5.316) 16.898 32.313 ( 5.536 -9.973 13.838) 17.934 32.313 ( 5.536 9.973 13.838) 17.934 32.608 ( -2.448 -16.882 13.550) 21.785 32.608 ( -2.448 16.882 13.550) 21.785 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( 14.307 -19.037 13.577) 27.413 4.116 ( 14.307 19.037 13.577) 27.413 4.338 ( 11.251 -19.549 18.903) 29.429 4.338 ( 11.251 19.549 18.903) 29.429 4.388 ( -11.124 -22.259 12.457) 27.828 4.388 ( -11.124 22.259 12.457) 27.828 4.644 ( -17.300 -21.098 19.646) 33.621 4.644 ( -17.300 21.098 19.646) 33.621 5.731 ( 5.620 -7.386 -4.149) 10.166 5.731 ( 5.620 7.386 -4.149) 10.166 5.827 ( -2.916 -4.859 -7.322) 9.259 5.827 ( -2.916 4.859 -7.322) 9.259 6.170 ( 8.834 -6.497 1.830) 11.118 6.170 ( 8.834 6.497 1.830) 11.118 6.404 ( -12.615 -8.363 0.336) 15.139 6.404 ( -12.615 8.363 0.336) 15.139 6.972 ( 14.976 -1.623 -1.838) 15.175 6.972 ( 14.976 1.623 -1.838) 15.175 7.243 ( -10.436 -2.872 -2.927) 11.213 7.243 ( -10.436 2.872 -2.927) 11.213 7.687 ( 3.056 -4.007 -2.113) 5.464 7.687 ( 3.056 4.007 -2.113) 5.464 7.771 ( -1.421 -2.790 -3.930) 5.025 7.771 ( -1.421 2.790 -3.930) 5.025 8.122 ( 6.845 -15.058 -2.914) 16.796 8.122 ( 6.845 15.058 -2.914) 16.796 8.337 ( -12.847 -11.753 -6.416) 18.556 8.337 ( -12.847 11.753 -6.416) 18.556 8.811 ( 4.412 -11.198 -9.906) 15.588 8.811 ( 4.412 11.198 -9.906) 15.588 8.901 ( -4.170 -10.469 -9.959) 15.039 8.901 ( -4.170 10.469 -9.959) 15.039 9.689 ( 3.617 -8.242 -0.363) 9.008 9.689 ( 3.617 8.242 -0.363) 9.008 9.778 ( -5.304 -3.023 -1.156) 6.213 9.778 ( -5.304 3.023 -1.156) 6.213 10.192 ( 12.089 -16.107 0.616) 20.148 10.192 ( 12.089 16.107 0.616) 20.148 10.352 ( -3.061 -14.526 2.681) 15.085 10.352 ( -3.061 14.526 2.681) 15.085 10.909 ( 9.151 -4.105 -6.338) 11.864 10.909 ( 9.151 4.105 -6.338) 11.864 11.142 ( -12.885 -5.754 -1.826) 14.229 11.142 ( -12.885 5.754 -1.826) 14.229 13.018 ( 6.653 -6.257 3.643) 9.833 13.018 ( 6.653 6.257 3.643) 9.833 13.157 ( -7.233 -5.861 4.307) 10.257 13.157 ( -7.233 5.861 4.307) 10.257 13.988 ( 3.775 -8.298 -8.246) 12.292 13.988 ( 3.775 8.298 -8.246) 12.292 14.052 ( -2.627 -6.409 -7.046) 9.880 14.052 ( -2.627 6.409 -7.046) 9.880 14.252 ( 2.954 -8.057 4.836) 9.850 14.252 ( 2.954 8.057 4.836) 9.850 14.298 ( -1.479 -10.437 4.248) 11.365 14.298 ( -1.479 10.437 4.248) 11.365 16.407 ( 7.276 -13.725 1.726) 15.630 16.407 ( 7.276 13.725 1.726) 15.630 16.563 ( -8.000 -10.995 0.626) 13.612 16.563 ( -8.000 10.995 0.626) 13.612 17.365 ( 2.207 -1.606 -0.986) 2.903 17.365 ( 2.207 1.606 -0.986) 2.903 17.421 ( -3.267 -2.965 -2.259) 4.956 17.421 ( -3.267 2.965 -2.259) 4.956 18.802 ( 2.230 -4.536 -3.911) 6.391 18.802 ( 2.230 4.536 -3.911) 6.391 18.846 ( -2.036 -5.375 -3.872) 6.931 18.846 ( -2.036 5.375 -3.872) 6.931 27.624 ( 0.916 -1.391 1.287) 2.105 27.624 ( 0.916 1.391 1.287) 2.105 27.643 ( -0.867 -1.734 1.241) 2.302 27.643 ( -0.867 1.734 1.241) 2.302 29.276 ( 9.433 -6.305 4.034) 12.042 29.276 ( 9.433 6.305 4.034) 12.042 29.493 ( -12.159 -5.347 1.853) 13.411 29.493 ( -12.159 5.347 1.853) 13.411 31.035 ( 15.111 -10.045 -10.912) 21.174 31.035 ( 15.111 10.045 -10.912) 21.174 31.323 ( -13.634 -11.764 -7.841) 19.641 31.323 ( -13.634 11.764 -7.841) 19.641 32.432 ( 5.992 -13.958 13.504) 20.324 32.432 ( 5.992 13.958 13.504) 20.324 32.538 ( -4.571 -16.002 13.482) 21.418 32.538 ( -4.571 16.002 13.482) 21.418 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 0.000 35.498) 35.498 2.682 ( 0.000 0.000 42.547) 42.547 3.800 ( 0.000 0.000 5.182) 5.182 4.291 ( 0.000 0.000 5.399) 5.399 4.430 ( 0.000 0.000 45.998) 45.998 4.449 ( 0.000 0.000 29.905) 29.905 4.836 ( 0.000 0.000 -6.756) 6.756 4.946 ( 0.000 0.000 4.861) 4.861 5.493 ( 0.000 0.000 -0.998) 0.998 5.716 ( 0.000 0.000 -2.569) 2.569 5.818 ( 0.000 0.000 -10.190) 10.190 6.216 ( 0.000 0.000 -2.786) 2.786 6.279 ( 0.000 0.000 5.951) 5.951 6.297 ( 0.000 0.000 -1.470) 1.470 6.424 ( 0.000 0.000 -18.229) 18.229 6.536 ( 0.000 0.000 19.261) 19.261 6.562 ( 0.000 0.000 -4.623) 4.623 6.622 ( 0.000 0.000 -2.696) 2.696 6.681 ( 0.000 0.000 3.683) 3.683 6.957 ( 0.000 0.000 1.662) 1.662 7.232 ( 0.000 0.000 0.458) 0.458 7.233 ( 0.000 0.000 -6.966) 6.966 7.434 ( 0.000 0.000 -7.550) 7.550 7.537 ( 0.000 0.000 -8.625) 8.625 7.652 ( 0.000 0.000 -11.984) 11.984 7.943 ( 0.000 0.000 -2.733) 2.733 8.055 ( 0.000 0.000 1.679) 1.679 8.119 ( 0.000 0.000 -10.516) 10.516 8.272 ( 0.000 0.000 5.285) 5.285 8.388 ( 0.000 0.000 -2.008) 2.008 8.872 ( 0.000 0.000 0.210) 0.210 9.085 ( 0.000 0.000 -5.623) 5.623 9.452 ( 0.000 0.000 -5.631) 5.631 9.558 ( 0.000 0.000 -15.551) 15.551 9.911 ( 0.000 0.000 -12.036) 12.036 10.053 ( 0.000 0.000 -10.423) 10.423 10.080 ( 0.000 0.000 0.182) 0.182 10.365 ( 0.000 0.000 -5.140) 5.140 10.418 ( 0.000 0.000 10.599) 10.599 10.817 ( 0.000 0.000 -1.739) 1.739 11.066 ( 0.000 0.000 -5.327) 5.327 11.532 ( 0.000 0.000 -3.731) 3.731 11.879 ( 0.000 0.000 -13.383) 13.383 12.400 ( 0.000 0.000 -22.828) 22.828 12.465 ( 0.000 0.000 1.509) 1.509 12.587 ( 0.000 0.000 -1.625) 1.625 13.042 ( 0.000 0.000 9.463) 9.463 13.227 ( 0.000 0.000 1.841) 1.841 13.640 ( 0.000 0.000 8.518) 8.518 13.651 ( 0.000 0.000 11.351) 11.351 13.888 ( 0.000 0.000 8.624) 8.624 13.950 ( 0.000 0.000 3.959) 3.959 14.169 ( 0.000 0.000 3.985) 3.985 14.535 ( 0.000 0.000 1.413) 1.413 15.109 ( 0.000 0.000 7.927) 7.927 15.629 ( 0.000 0.000 -1.984) 1.984 15.814 ( 0.000 0.000 -6.965) 6.965 15.916 ( 0.000 0.000 -13.814) 13.814 16.764 ( 0.000 0.000 -1.749) 1.749 16.893 ( 0.000 0.000 -1.451) 1.451 17.219 ( 0.000 0.000 3.300) 3.300 17.324 ( 0.000 0.000 1.783) 1.783 17.342 ( 0.000 0.000 0.480) 0.480 17.660 ( 0.000 0.000 -9.326) 9.326 18.396 ( 0.000 0.000 -1.744) 1.744 18.807 ( 0.000 0.000 -5.838) 5.838 19.062 ( 0.000 0.000 -0.519) 0.519 19.511 ( 0.000 0.000 -2.280) 2.280 27.585 ( 0.000 0.000 0.474) 0.474 27.595 ( 0.000 0.000 1.028) 1.028 27.724 ( 0.000 0.000 2.255) 2.255 27.793 ( 0.000 0.000 0.963) 0.963 28.522 ( 0.000 0.000 5.837) 5.837 28.791 ( 0.000 0.000 7.298) 7.298 29.354 ( 0.000 0.000 -8.730) 8.730 29.656 ( 0.000 0.000 -7.521) 7.521 30.122 ( 0.000 0.000 3.460) 3.460 30.519 ( 0.000 0.000 -3.641) 3.641 30.646 ( 0.000 0.000 8.059) 8.059 31.735 ( 0.000 0.000 -0.111) 0.111 32.271 ( 0.000 0.000 13.209) 13.209 32.783 ( 0.000 0.000 -7.260) 7.260 33.194 ( 0.000 0.000 19.716) 19.716 34.415 ( 0.000 0.000 -6.236) 6.236 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 13.508 0.000 32.325) 35.034 2.841 ( 15.320 0.000 39.405) 42.279 3.615 ( -16.076 0.000 9.860) 18.858 4.197 ( -20.935 0.000 23.106) 31.180 4.399 ( 8.432 0.000 2.311) 8.743 4.576 ( 13.584 0.000 48.509) 50.375 4.800 ( -3.471 0.000 -5.917) 6.860 4.992 ( 2.960 0.000 0.788) 3.064 5.546 ( 4.884 0.000 -3.028) 5.746 5.802 ( 2.341 0.000 2.987) 3.795 5.809 ( -1.141 0.000 -10.504) 10.566 6.174 ( 1.370 0.000 1.028) 1.713 6.201 ( -0.931 0.000 -1.945) 2.156 6.285 ( -1.810 0.000 -1.305) 2.232 6.448 ( -14.113 0.000 13.946) 19.841 6.532 ( 0.572 0.000 4.009) 4.050 6.558 ( 2.005 0.000 -3.027) 3.631 6.707 ( 6.124 0.000 -2.432) 6.589 6.723 ( 12.482 0.000 -5.068) 13.471 6.913 ( -3.894 0.000 0.559) 3.934 7.188 ( -4.768 0.000 0.384) 4.784 7.270 ( 1.130 0.000 -4.013) 4.169 7.426 ( 0.211 0.000 -9.547) 9.549 7.525 ( -1.143 0.000 -8.841) 8.915 7.529 ( -25.101 0.000 2.891) 25.266 7.708 ( 4.764 0.000 -10.334) 11.379 7.951 ( -1.183 0.000 -1.931) 2.265 8.070 ( -4.690 0.000 -10.328) 11.343 8.437 ( 4.497 0.000 -4.439) 6.318 8.631 ( 11.441 0.000 -3.887) 12.083 8.753 ( -8.729 0.000 -3.503) 9.406 9.105 ( -17.543 0.000 -10.590) 20.491 9.299 ( 16.553 0.000 -2.393) 16.726 9.752 ( 0.106 0.000 -1.644) 1.647 9.964 ( 17.939 0.000 -12.335) 21.771 10.108 ( 2.709 0.000 0.142) 2.713 10.261 ( 12.060 0.000 -5.716) 13.346 10.336 ( -2.732 0.000 -3.607) 4.525 10.449 ( 3.408 0.000 7.255) 8.016 10.852 ( 3.274 0.000 -3.045) 4.472 11.050 ( -1.554 0.000 -5.392) 5.611 11.443 ( -10.813 0.000 -4.412) 11.678 11.844 ( -2.107 0.000 -14.992) 15.140 12.239 ( -13.432 0.000 -22.099) 25.861 12.479 ( 1.309 0.000 1.091) 1.704 12.578 ( -0.906 0.000 -1.502) 1.754 13.051 ( 0.898 0.000 9.346) 9.389 13.195 ( -2.888 0.000 3.931) 4.878 13.592 ( -0.704 0.000 2.360) 2.462 13.691 ( 3.674 0.000 9.420) 10.111 13.908 ( -4.419 0.000 1.452) 4.651 13.928 ( -2.211 0.000 4.150) 4.703 14.313 ( 17.049 0.000 9.351) 19.445 14.660 ( 10.439 0.000 4.311) 11.294 15.073 ( -3.574 0.000 7.960) 8.725 15.646 ( 1.706 0.000 -2.397) 2.942 15.733 ( -16.808 0.000 -7.123) 18.255 15.796 ( -1.762 0.000 -6.417) 6.654 16.829 ( 4.995 0.000 -4.084) 6.452 16.907 ( 1.237 0.000 -1.966) 2.323 17.232 ( 1.221 0.000 2.986) 3.226 17.331 ( -1.082 0.000 0.715) 1.296 17.346 ( 2.368 0.000 0.395) 2.401 17.629 ( -3.174 0.000 -8.860) 9.411 18.415 ( 2.081 0.000 -1.571) 2.607 18.751 ( -5.395 0.000 -4.510) 7.032 19.086 ( 2.381 0.000 -0.663) 2.471 19.424 ( -7.484 0.000 -1.085) 7.562 27.584 ( -0.044 0.000 0.445) 0.447 27.595 ( -0.099 0.000 0.843) 0.849 27.731 ( 0.637 0.000 2.136) 2.229 27.786 ( -0.607 0.000 1.071) 1.231 28.542 ( 1.930 0.000 5.828) 6.139 28.754 ( -3.366 0.000 6.770) 7.560 29.394 ( 3.664 0.000 -8.224) 9.003 29.634 ( -2.261 0.000 -7.486) 7.820 30.152 ( 3.680 0.000 4.201) 5.585 30.585 ( -5.297 0.000 7.580) 9.247 30.718 ( 17.434 0.000 -6.637) 18.655 31.690 ( -5.134 0.000 -2.691) 5.797 32.263 ( -0.610 0.000 13.227) 13.241 32.573 ( -14.386 0.000 2.393) 14.584 33.420 ( 16.471 0.000 11.672) 20.187 34.313 ( -9.695 0.000 -3.073) 10.170 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 20.811 0.000 25.200) 32.682 3.236 ( -21.328 0.000 17.301) 27.463 3.239 ( 23.671 0.000 33.077) 40.674 3.730 ( -25.124 0.000 27.197) 37.025 4.566 ( 8.028 0.000 -1.189) 8.116 4.706 ( -5.997 0.000 -3.931) 7.171 4.881 ( 13.941 0.000 29.608) 32.726 5.025 ( -0.973 0.000 4.006) 4.123 5.660 ( 6.060 0.000 -7.109) 9.342 5.762 ( -3.818 0.000 -10.129) 10.825 5.797 ( 3.676 0.000 7.952) 8.761 6.056 ( -19.831 0.000 16.309) 25.676 6.197 ( 0.772 0.000 -0.756) 1.081 6.233 ( -2.720 0.000 -0.740) 2.819 6.371 ( 10.721 0.000 6.501) 12.538 6.513 ( -3.172 0.000 9.338) 9.862 6.644 ( 5.984 0.000 -0.609) 6.014 6.762 ( -4.294 0.000 1.983) 4.729 6.896 ( 6.122 0.000 -4.287) 7.474 6.923 ( 5.796 0.000 -4.559) 7.374 7.053 ( -8.194 0.000 -1.947) 8.423 7.067 ( -12.064 0.000 2.991) 12.429 7.452 ( 2.082 0.000 -9.657) 9.879 7.494 ( -1.956 0.000 -9.208) 9.413 7.500 ( 14.533 0.000 -4.872) 15.328 7.819 ( -8.563 0.000 -5.525) 10.191 7.820 ( 1.413 0.000 -8.175) 8.297 7.952 ( -6.748 0.000 -9.825) 11.919 8.535 ( 5.851 0.000 -7.168) 9.252 8.648 ( -1.309 0.000 -10.735) 10.815 8.718 ( -0.841 0.000 -8.974) 9.013 8.778 ( -11.786 0.000 -10.184) 15.576 9.625 ( 11.477 0.000 2.953) 11.851 9.740 ( -1.649 0.000 2.357) 2.876 10.179 ( 4.257 0.000 -0.187) 4.261 10.265 ( -4.229 0.000 -1.351) 4.440 10.329 ( 14.416 0.000 -1.073) 14.456 10.480 ( 0.549 0.000 6.893) 6.915 10.566 ( 19.270 0.000 -5.606) 20.069 10.930 ( 4.150 0.000 -4.774) 6.325 11.004 ( -3.151 0.000 -5.401) 6.253 11.065 ( -25.719 0.000 -3.393) 25.942 11.856 ( 3.776 0.000 -21.142) 21.477 11.992 ( -10.021 0.000 -24.474) 26.446 12.513 ( 2.008 0.000 0.058) 2.008 12.552 ( -1.749 0.000 -0.971) 2.001 13.079 ( 2.055 0.000 8.740) 8.979 13.132 ( -3.143 0.000 7.002) 7.675 13.642 ( 5.179 0.000 -2.908) 5.940 13.773 ( -7.547 0.000 -3.381) 8.269 13.778 ( 4.737 0.000 6.606) 8.129 13.866 ( -3.984 0.000 4.896) 6.312 14.701 ( 18.206 0.000 10.082) 20.811 14.889 ( 8.736 0.000 8.689) 12.321 14.982 ( -0.914 0.000 6.209) 6.276 15.326 ( -22.587 0.000 2.453) 22.720 15.692 ( 2.782 0.000 -3.534) 4.498 15.749 ( -2.815 0.000 -5.064) 5.793 16.908 ( 2.515 0.000 -4.132) 4.837 16.928 ( 0.384 0.000 -3.246) 3.269 17.264 ( 1.895 0.000 2.218) 2.917 17.301 ( -1.810 0.000 1.356) 2.262 17.424 ( 5.403 0.000 -3.590) 6.487 17.539 ( -5.644 0.000 -7.179) 9.132 18.486 ( 5.215 0.000 -1.307) 5.376 18.616 ( -7.502 0.000 -2.101) 7.791 19.155 ( 4.686 0.000 -0.834) 4.759 19.272 ( -7.102 0.000 -0.618) 7.129 27.585 ( 0.182 0.000 0.425) 0.462 27.590 ( -0.278 0.000 0.579) 0.642 27.748 ( 1.072 0.000 1.784) 2.081 27.770 ( -1.031 0.000 1.371) 1.715 28.596 ( 3.520 0.000 5.862) 6.837 28.675 ( -4.287 0.000 6.116) 7.469 29.481 ( 4.786 0.000 -7.629) 9.006 29.570 ( -4.039 0.000 -7.452) 8.476 30.271 ( 7.930 0.000 5.426) 9.609 30.441 ( -8.634 0.000 6.749) 10.959 31.124 ( 21.493 0.000 -10.253) 23.813 31.498 ( -14.902 0.000 -8.561) 17.186 32.263 ( 1.252 0.000 12.903) 12.963 32.343 ( -7.695 0.000 10.029) 12.641 33.752 ( 16.632 0.000 7.202) 18.124 34.065 ( -14.738 0.000 2.668) 14.977 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.000 29.285 30.821) 42.515 2.802 ( 0.000 11.174 39.247) 40.806 3.956 ( 0.000 13.569 6.901) 15.223 4.381 ( 0.000 7.230 10.839) 13.029 4.512 ( 0.000 6.821 27.389) 28.226 4.527 ( 0.000 9.577 36.905) 38.127 4.932 ( 0.000 5.077 -1.349) 5.253 4.998 ( 0.000 8.275 -1.435) 8.398 5.552 ( 0.000 2.608 2.349) 3.510 5.642 ( 0.000 -5.883 0.611) 5.915 5.926 ( 0.000 8.314 -7.163) 10.974 6.019 ( 0.000 -15.128 4.610) 15.815 6.229 ( 0.000 -3.197 -6.770) 7.487 6.392 ( 0.000 0.002 -0.953) 0.953 6.415 ( 0.000 0.321 -1.522) 1.556 6.483 ( 0.000 -2.884 17.750) 17.983 6.567 ( 0.000 8.139 -12.468) 14.890 6.651 ( 0.000 8.215 -2.866) 8.700 6.757 ( 0.000 0.970 -3.494) 3.626 7.070 ( 0.000 -10.695 -6.656) 12.597 7.138 ( 0.000 13.075 2.102) 13.243 7.270 ( 0.000 3.264 -1.734) 3.696 7.431 ( 0.000 -1.478 -7.794) 7.933 7.594 ( 0.000 -4.379 -10.373) 11.260 7.688 ( 0.000 10.504 -7.389) 12.843 8.069 ( 0.000 0.678 -5.883) 5.922 8.105 ( 0.000 14.315 -2.770) 14.581 8.207 ( 0.000 7.702 -4.993) 9.179 8.258 ( 0.000 -1.102 4.460) 4.594 8.399 ( 0.000 1.309 -2.953) 3.231 8.851 ( 0.000 -1.997 -0.163) 2.003 9.053 ( 0.000 -2.868 -5.651) 6.337 9.421 ( 0.000 -2.062 -5.836) 6.189 9.518 ( 0.000 -3.975 -14.928) 15.448 9.814 ( 0.000 -8.104 -11.887) 14.387 10.049 ( 0.000 -0.073 -10.566) 10.566 10.094 ( 0.000 -0.284 -0.880) 0.924 10.247 ( 0.000 -10.545 11.889) 15.892 10.335 ( 0.000 -3.108 -4.683) 5.620 10.938 ( 0.000 6.592 -2.292) 6.979 10.962 ( 0.000 -9.139 -5.223) 10.526 11.489 ( 0.000 -5.363 -3.434) 6.368 11.761 ( 0.000 -8.671 -8.744) 12.315 12.251 ( 0.000 -11.033 -11.352) 15.830 12.557 ( 0.000 7.245 0.895) 7.300 12.704 ( 0.000 7.909 -8.035) 11.274 13.045 ( 0.000 1.169 4.156) 4.317 13.255 ( 0.000 2.092 0.809) 2.243 13.625 ( 0.000 -1.906 10.736) 10.904 13.746 ( 0.000 8.340 8.989) 12.263 13.916 ( 0.000 2.028 7.039) 7.325 13.963 ( 0.000 1.579 3.334) 3.689 14.178 ( 0.000 0.499 3.715) 3.749 14.488 ( 0.000 -4.678 0.577) 4.713 15.050 ( 0.000 -5.513 7.506) 9.313 15.347 ( 0.000 -19.630 -1.621) 19.697 15.781 ( 0.000 -2.117 -5.454) 5.851 16.098 ( 0.000 11.071 -11.841) 16.211 16.780 ( 0.000 1.334 -1.609) 2.090 16.890 ( 0.000 -0.653 -1.197) 1.364 17.188 ( 0.000 -2.054 2.429) 3.181 17.332 ( 0.000 -0.745 0.356) 0.825 17.348 ( 0.000 1.761 1.683) 2.436 17.639 ( 0.000 -2.033 -9.133) 9.357 18.435 ( 0.000 3.518 -1.845) 3.973 18.793 ( 0.000 -1.298 -5.432) 5.585 19.053 ( 0.000 -0.946 -1.061) 1.422 19.327 ( 0.000 -14.764 1.541) 14.844 27.576 ( 0.000 -0.519 0.329) 0.615 27.592 ( 0.000 -0.211 0.948) 0.971 27.719 ( 0.000 -0.520 2.199) 2.260 27.785 ( 0.000 -0.734 0.919) 1.177 28.752 ( 0.000 12.970 2.681) 13.244 28.912 ( 0.000 16.204 3.137) 16.505 29.369 ( 0.000 0.940 -5.722) 5.798 29.674 ( 0.000 1.720 -6.862) 7.074 30.113 ( 0.000 -0.722 3.447) 3.521 30.528 ( 0.000 0.552 -4.283) 4.319 30.712 ( 0.000 6.405 5.058) 8.162 31.747 ( 0.000 1.000 -1.109) 1.494 32.297 ( 0.000 2.571 13.287) 13.534 32.719 ( 0.000 -5.717 -5.084) 7.651 33.135 ( 0.000 -5.400 19.484) 20.219 34.219 ( 0.000 -16.994 -1.300) 17.044 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 9.569 23.941 31.038) 40.349 2.971 ( 15.440 13.223 34.305) 39.876 3.777 ( -15.278 13.953 11.759) 23.799 4.251 ( -17.365 6.069 20.586) 27.607 4.541 ( 7.087 11.690 5.006) 14.558 4.663 ( 12.463 8.612 40.933) 43.646 4.939 ( -2.259 11.636 -5.858) 13.221 4.976 ( 1.016 -0.585 0.617) 1.325 5.601 ( 4.473 2.685 1.525) 5.435 5.712 ( 2.162 -7.178 5.108) 9.071 5.924 ( -1.944 7.767 -7.496) 10.968 5.968 ( -0.337 -11.706 3.968) 12.365 6.210 ( -3.016 -7.579 -2.182) 8.444 6.321 ( -5.433 1.254 -0.606) 5.608 6.398 ( 1.749 1.772 1.863) 3.109 6.528 ( 3.765 2.020 11.595) 12.357 6.617 ( -0.551 8.196 -2.090) 8.476 6.750 ( 9.678 3.070 -7.710) 12.749 6.809 ( 5.629 2.249 -6.253) 8.709 6.948 ( -8.682 -0.147 -0.706) 8.712 7.123 ( -6.271 0.090 -2.550) 6.770 7.240 ( 0.775 0.372 -2.837) 2.964 7.433 ( -3.471 -1.258 -5.721) 6.809 7.511 ( -10.666 0.161 -2.298) 10.912 7.707 ( 0.458 12.853 -6.967) 14.627 7.777 ( -3.859 5.278 -6.864) 9.479 8.081 ( -4.510 0.916 -9.195) 10.282 8.098 ( -1.645 13.037 -1.974) 13.287 8.440 ( 4.164 0.678 -5.509) 6.939 8.624 ( 9.861 -0.369 -4.974) 11.050 8.736 ( -8.421 -1.615 -3.891) 9.416 9.076 ( -18.018 -2.750 -10.788) 21.180 9.260 ( 17.491 -3.289 -1.962) 17.905 9.702 ( 1.716 -3.738 -1.430) 4.354 9.913 ( 13.753 -3.924 -11.685) 18.468 10.124 ( 5.848 -1.213 -2.571) 6.502 10.218 ( -1.278 -11.287 6.068) 12.878 10.249 ( 12.362 -0.261 -5.940) 13.718 10.365 ( 3.105 -3.313 -1.516) 4.787 10.931 ( -0.884 -3.065 -4.519) 5.532 10.965 ( 0.162 -0.661 -2.829) 2.910 11.430 ( -8.295 -2.246 -4.143) 9.540 11.693 ( -4.771 -11.921 -10.089) 16.330 12.080 ( -13.701 -11.218 -11.911) 21.341 12.596 ( 2.681 7.786 -1.350) 8.345 12.694 ( -0.831 8.575 -6.741) 10.939 13.075 ( 2.516 2.225 4.813) 5.869 13.230 ( -2.217 3.026 3.117) 4.877 13.631 ( -1.547 0.939 5.942) 6.211 13.691 ( 1.652 2.489 6.741) 7.373 13.910 ( -4.846 -0.987 0.906) 5.027 13.939 ( -2.758 2.289 3.053) 4.709 14.335 ( 15.958 1.257 8.095) 17.938 14.611 ( 10.307 -4.764 3.621) 11.918 15.012 ( -3.732 -5.821 7.511) 10.209 15.324 ( -3.114 -18.717 -1.447) 19.029 15.772 ( -0.768 -1.197 -4.832) 5.037 15.977 ( -10.111 12.226 -6.483) 17.139 16.833 ( 4.107 0.124 -3.408) 5.338 16.905 ( 1.247 -0.512 -1.849) 2.288 17.207 ( 1.806 -1.681 1.928) 3.131 17.321 ( -1.081 -0.731 0.557) 1.419 17.362 ( 1.602 1.238 0.633) 2.121 17.608 ( -3.084 -1.960 -8.572) 9.318 18.449 ( 1.589 3.116 -1.693) 3.886 18.738 ( -5.181 -1.176 -3.985) 6.641 19.069 ( 1.642 -1.562 -1.090) 2.515 19.278 ( -4.237 -11.848 1.024) 12.624 27.576 ( 0.067 -0.458 0.360) 0.586 27.589 ( -0.230 -0.262 0.877) 0.944 27.725 ( 0.599 -0.558 2.051) 2.208 27.778 ( -0.633 -0.759 1.022) 1.422 28.745 ( -0.314 12.691 3.339) 13.127 28.871 ( -3.494 13.995 4.198) 15.023 29.408 ( 3.667 0.940 -5.474) 6.656 29.658 ( -1.967 2.320 -6.905) 7.545 30.153 ( 4.726 0.320 3.610) 5.956 30.650 ( -6.059 5.952 4.783) 9.747 30.718 ( 17.120 -0.034 -7.275) 18.601 31.696 ( -5.748 0.410 -3.889) 6.953 32.288 ( -0.764 2.450 13.332) 13.577 32.534 ( -12.598 -3.305 3.891) 13.593 33.340 ( 15.159 -7.278 12.363) 20.872 34.136 ( -8.067 -15.554 0.789) 17.539 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 17.791 18.897 26.304) 36.953 3.349 ( 17.689 11.825 26.396) 33.904 3.431 ( -14.599 15.753 21.066) 30.084 3.827 ( -23.698 9.489 23.678) 34.818 4.697 ( 7.744 11.202 0.207) 13.620 4.828 ( -4.404 10.124 -0.393) 11.047 4.944 ( 8.990 6.331 20.421) 23.193 5.019 ( 1.267 -0.090 0.801) 1.502 5.696 ( 0.794 -4.799 9.873) 11.006 5.700 ( 4.222 -0.486 2.944) 5.169 5.867 ( -1.624 2.650 -3.832) 4.934 5.990 ( -9.452 -3.994 4.313) 11.131 6.095 ( 1.985 -5.233 2.986) 6.343 6.198 ( -5.587 0.579 1.520) 5.819 6.521 ( 6.980 3.956 5.014) 9.462 6.586 ( 0.595 7.393 4.714) 8.788 6.651 ( 4.666 5.224 0.922) 7.065 6.766 ( -6.928 -0.790 -0.260) 6.978 6.898 ( 0.551 -2.275 -7.148) 7.522 6.915 ( 4.986 0.318 -3.188) 5.927 6.973 ( -2.699 -0.619 -0.484) 2.811 7.160 ( -13.785 3.943 2.168) 14.501 7.359 ( 9.273 -0.672 -6.941) 11.602 7.469 ( -1.525 1.018 -8.670) 8.862 7.749 ( 5.654 13.382 -7.699) 16.442 7.837 ( 4.302 2.127 -8.592) 9.841 7.961 ( -7.830 5.952 -8.133) 12.762 7.991 ( -8.235 8.408 -4.335) 12.542 8.528 ( 5.493 -0.665 -7.039) 8.954 8.634 ( -0.970 -0.964 -11.227) 11.310 8.696 ( -1.108 -1.755 -8.934) 9.172 8.766 ( -10.896 -0.969 -9.863) 14.729 9.588 ( 11.545 -2.943 2.000) 12.081 9.707 ( -1.597 -2.571 1.692) 3.468 10.090 ( 4.934 -6.806 -0.673) 8.433 10.168 ( -3.029 -8.057 2.177) 8.879 10.355 ( 11.436 -3.238 -2.360) 12.117 10.423 ( 2.934 -2.005 2.439) 4.310 10.558 ( 18.800 -0.658 -5.787) 19.682 10.898 ( -4.785 -6.489 -3.778) 8.904 10.953 ( -0.659 0.975 -2.570) 2.827 11.100 ( -20.537 0.378 -4.056) 20.937 11.681 ( 3.927 -13.779 -15.346) 20.995 11.828 ( -10.546 -12.204 -16.616) 23.157 12.643 ( 1.990 8.625 -3.499) 9.518 12.674 ( -1.215 8.942 -5.132) 10.382 13.128 ( 2.703 4.254 6.444) 8.180 13.180 ( -2.632 4.520 6.002) 7.961 13.643 ( 3.474 -0.368 -0.463) 3.524 13.735 ( -2.423 -2.501 2.012) 4.022 13.807 ( -0.060 1.921 0.261) 1.939 13.875 ( -3.908 1.437 2.657) 4.940 14.665 ( 14.575 -3.929 8.417) 17.284 14.828 ( 5.685 -6.368 7.337) 11.256 14.931 ( 1.414 -4.681 5.945) 7.697 15.176 ( -12.560 -11.943 1.617) 17.407 15.760 ( 0.030 2.105 -3.191) 3.823 15.804 ( -5.485 8.993 -1.937) 10.711 16.901 ( 2.383 -0.978 -3.459) 4.312 16.923 ( 0.143 -0.713 -2.993) 3.080 17.250 ( 2.313 -0.914 1.302) 2.807 17.292 ( -1.843 -0.677 0.994) 2.200 17.421 ( 4.475 -0.240 -2.956) 5.368 17.523 ( -5.214 -1.491 -6.674) 8.599 18.505 ( 4.216 1.814 -1.379) 4.792 18.614 ( -6.563 -0.048 -1.827) 6.813 19.116 ( 3.081 -3.444 -1.060) 4.741 19.189 ( -4.272 -6.883 -0.339) 8.108 27.579 ( 0.199 -0.374 0.485) 0.644 27.584 ( -0.297 -0.326 0.693) 0.821 27.741 ( 0.990 -0.672 1.696) 2.075 27.761 ( -1.008 -0.763 1.307) 1.818 28.754 ( 1.364 11.868 4.499) 12.766 28.800 ( -3.242 11.827 4.978) 13.235 29.498 ( 5.019 1.233 -5.438) 7.503 29.593 ( -4.354 1.932 -6.067) 7.713 30.297 ( 9.261 2.774 3.545) 10.297 30.490 ( -9.574 4.747 4.088) 11.441 31.114 ( 21.141 -1.028 -10.633) 23.687 31.489 ( -15.477 -0.950 -9.439) 18.153 32.281 ( 0.665 1.861 13.208) 13.355 32.341 ( -6.117 0.039 11.052) 12.632 33.645 ( 15.117 -9.693 8.318) 19.791 33.924 ( -12.861 -12.557 4.798) 18.604 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 0.000 20.397 31.794) 37.774 3.354 ( 0.000 31.039 27.458) 41.441 4.300 ( 0.000 16.895 10.352) 19.814 4.549 ( 0.000 8.049 19.879) 21.447 4.750 ( 0.000 14.080 6.133) 15.358 4.833 ( 0.000 18.109 26.180) 31.832 5.008 ( 0.000 2.211 3.219) 3.905 5.278 ( 0.000 14.532 -5.409) 15.506 5.388 ( 0.000 -12.322 7.234) 14.288 5.609 ( 0.000 -1.386 15.216) 15.279 5.662 ( 0.000 -13.931 6.899) 15.546 6.117 ( 0.000 4.396 3.294) 5.493 6.133 ( 0.000 -2.696 -5.170) 5.831 6.274 ( 0.000 -9.138 2.862) 9.576 6.494 ( 0.000 4.132 5.710) 7.048 6.559 ( 0.000 9.906 -11.833) 15.432 6.734 ( 0.000 -2.176 -2.887) 3.615 6.810 ( 0.000 -4.811 -4.161) 6.360 6.839 ( 0.000 13.771 -11.295) 17.811 6.904 ( 0.000 6.119 -7.223) 9.467 7.370 ( 0.000 3.897 -7.041) 8.047 7.414 ( 0.000 12.141 1.719) 12.262 7.424 ( 0.000 3.802 -2.414) 4.503 7.506 ( 0.000 -3.063 -7.041) 7.678 7.877 ( 0.000 6.605 -5.605) 8.663 8.087 ( 0.000 1.393 -8.254) 8.371 8.249 ( 0.000 1.256 0.354) 1.305 8.398 ( 0.000 9.411 -5.300) 10.800 8.456 ( 0.000 4.122 -7.155) 8.258 8.480 ( 0.000 18.324 -4.431) 18.852 8.769 ( 0.000 -6.787 -1.185) 6.889 8.979 ( 0.000 -3.120 -5.355) 6.198 9.381 ( 0.000 -8.970 -12.889) 15.704 9.406 ( 0.000 0.984 -6.722) 6.794 9.645 ( 0.000 -4.938 -7.310) 8.821 9.975 ( 0.000 -8.246 1.255) 8.341 10.061 ( 0.000 0.571 -9.981) 9.997 10.131 ( 0.000 -2.552 5.149) 5.747 10.223 ( 0.000 -6.792 -4.230) 8.002 10.706 ( 0.000 -14.303 -4.688) 15.052 11.011 ( 0.000 -0.100 -2.125) 2.127 11.259 ( 0.000 -15.273 -2.691) 15.508 11.615 ( 0.000 -4.799 -2.306) 5.324 11.979 ( 0.000 -13.965 -1.936) 14.098 12.716 ( 0.000 6.797 4.683) 8.254 12.866 ( 0.000 6.399 -7.200) 9.633 13.126 ( 0.000 6.716 -7.381) 9.979 13.298 ( 0.000 2.062 1.070) 2.323 13.587 ( 0.000 -1.328 9.779) 9.869 13.931 ( 0.000 8.309 8.494) 11.882 13.937 ( 0.000 -0.304 -1.416) 1.449 14.041 ( 0.000 5.558 7.033) 8.964 14.162 ( 0.000 -2.651 1.217) 2.917 14.323 ( 0.000 -10.875 -2.959) 11.270 14.884 ( 0.000 -9.714 6.469) 11.671 14.915 ( 0.000 -19.398 2.627) 19.575 15.792 ( 0.000 4.643 -1.186) 4.792 16.322 ( 0.000 9.637 -9.556) 13.572 16.805 ( 0.000 0.601 -1.290) 1.423 16.837 ( 0.000 -4.930 -0.079) 4.931 17.168 ( 0.000 0.737 -0.093) 0.743 17.320 ( 0.000 -0.166 0.057) 0.176 17.388 ( 0.000 1.893 0.956) 2.121 17.576 ( 0.000 -3.753 -8.522) 9.311 18.536 ( 0.000 5.814 -2.108) 6.185 18.756 ( 0.000 -2.041 -4.505) 4.946 19.007 ( 0.000 -13.383 3.967) 13.959 19.016 ( 0.000 -2.639 -2.070) 3.354 27.577 ( 0.000 0.818 0.165) 0.834 27.591 ( 0.000 0.216 0.835) 0.862 27.703 ( 0.000 -0.961 2.003) 2.222 27.762 ( 0.000 -1.361 0.818) 1.587 28.931 ( 0.000 7.144 6.706) 9.798 29.368 ( 0.000 -1.371 0.690) 1.534 29.419 ( 0.000 24.199 -9.457) 25.981 29.728 ( 0.000 3.161 -5.533) 6.372 30.104 ( 0.000 0.549 2.900) 2.951 30.532 ( 0.000 -0.365 -5.319) 5.332 30.911 ( 0.000 11.885 -1.823) 12.024 31.764 ( 0.000 -0.005 -4.943) 4.943 32.389 ( 0.000 6.350 13.309) 14.746 32.571 ( 0.000 -7.149 1.814) 7.376 32.978 ( 0.000 -9.036 18.906) 20.955 33.777 ( 0.000 -22.881 6.462) 23.776 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 8.297 20.560 30.390) 37.618 3.463 ( 10.660 28.353 25.556) 39.631 4.128 ( -14.180 17.443 15.211) 27.142 4.462 ( -11.174 12.724 18.084) 24.775 4.831 ( 6.444 13.957 6.870) 16.838 4.932 ( 6.660 11.128 15.015) 19.841 4.960 ( 0.804 3.611 3.229) 4.911 5.248 ( -2.897 14.642 -4.738) 15.660 5.470 ( 5.265 -11.477 12.755) 17.948 5.587 ( 0.128 -9.559 13.288) 16.370 5.694 ( 0.363 -6.600 7.251) 9.812 6.004 ( -6.796 -5.749 2.150) 9.158 6.175 ( 0.978 5.834 -1.805) 6.185 6.257 ( 0.331 -6.661 -2.126) 7.000 6.510 ( 1.252 8.176 0.074) 8.271 6.627 ( 3.654 3.013 1.071) 4.856 6.727 ( 1.180 -0.829 -2.136) 2.577 6.787 ( -2.982 4.421 -8.320) 9.882 6.848 ( 0.782 -5.228 -5.601) 7.702 6.989 ( 6.895 13.864 -10.413) 18.659 7.234 ( -9.110 10.560 -2.963) 14.258 7.367 ( -3.143 9.662 0.977) 10.207 7.410 ( -2.972 -0.713 -3.459) 4.616 7.555 ( 1.071 3.408 -5.344) 6.428 7.826 ( -3.392 1.590 -4.468) 5.830 8.013 ( -1.159 12.199 -6.568) 13.903 8.102 ( -5.342 1.711 -7.070) 9.025 8.399 ( -2.251 9.844 -2.256) 10.347 8.528 ( 0.875 10.487 -8.547) 13.557 8.632 ( 5.340 1.153 -7.844) 9.559 8.682 ( -5.187 -3.629 -4.551) 7.797 8.984 ( -17.324 -5.984 -11.817) 21.808 9.188 ( 18.368 -2.194 0.035) 18.499 9.647 ( 2.260 -0.522 -2.402) 3.339 9.802 ( 13.866 -5.982 -7.497) 16.860 9.974 ( 0.350 -8.932 1.266) 9.028 10.049 ( 2.262 -5.689 -1.772) 6.374 10.211 ( 7.765 -5.466 -5.889) 11.173 10.326 ( 8.047 0.579 -2.233) 8.371 10.692 ( -0.377 -14.072 -5.130) 14.982 11.007 ( -0.842 -0.561 -1.148) 1.531 11.266 ( 0.905 -14.266 -4.422) 14.964 11.480 ( -13.802 -5.821 -2.368) 15.165 11.817 ( -13.664 -13.175 -4.023) 19.402 12.748 ( 2.573 6.149 2.239) 7.031 12.886 ( 0.818 8.875 -7.011) 11.340 13.128 ( 1.628 2.100 -2.657) 3.758 13.324 ( 1.524 6.351 0.814) 6.582 13.588 ( -0.105 -3.470 7.521) 8.284 13.815 ( -6.035 6.423 3.732) 9.571 13.892 ( -3.624 0.121 -2.085) 4.182 14.006 ( -3.523 3.676 1.954) 5.454 14.321 ( 11.526 -3.078 4.972) 12.925 14.447 ( 9.951 -10.625 1.179) 14.605 14.827 ( -3.785 -11.560 6.292) 13.694 14.938 ( 0.258 -15.915 2.934) 16.185 15.811 ( 2.053 6.070 -0.624) 6.438 16.228 ( -8.513 11.367 -5.903) 15.379 16.807 ( 1.113 -3.624 -0.766) 3.867 16.870 ( 1.721 -2.710 -2.035) 3.801 17.191 ( 2.202 0.696 -0.440) 2.351 17.311 ( -0.868 0.024 0.152) 0.882 17.391 ( 0.392 1.344 0.367) 1.447 17.548 ( -2.675 -3.487 -7.789) 8.944 18.541 ( 0.533 5.327 -2.033) 5.726 18.708 ( -4.178 -1.477 -2.851) 5.269 19.011 ( 0.364 -8.170 1.016) 8.241 19.023 ( 0.441 -6.422 -1.175) 6.543 27.578 ( 0.117 0.827 0.260) 0.875 27.589 ( -0.129 0.350 0.804) 0.886 27.708 ( 0.470 -1.047 1.843) 2.171 27.755 ( -0.655 -1.366 0.901) 1.763 28.945 ( 1.558 8.318 6.332) 10.569 29.292 ( -9.526 19.394 -3.466) 21.884 29.410 ( 3.946 -1.082 0.454) 4.117 29.724 ( -2.605 3.268 -5.279) 6.733 30.188 ( 8.609 3.826 0.514) 9.435 30.703 ( 15.063 -1.086 -7.629) 16.919 30.839 ( -6.565 11.115 -2.363) 13.123 31.691 ( -7.851 -1.502 -7.714) 11.109 32.375 ( -1.361 5.729 13.239) 14.490 32.462 ( -6.977 -2.214 8.847) 11.483 33.130 ( 11.863 -11.835 13.922) 21.786 33.724 ( -5.222 -21.624 7.176) 23.374 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 15.521 19.918 26.640) 36.706 3.739 ( 11.152 22.747 19.827) 32.170 3.819 ( -10.789 19.643 23.380) 32.387 4.138 ( -19.494 19.009 18.465) 32.899 4.941 ( 5.080 3.984 2.217) 6.826 5.005 ( 2.174 3.994 2.804) 5.342 5.066 ( 3.857 10.018 -1.074) 10.788 5.171 ( -4.857 12.671 -3.483) 14.009 5.554 ( 5.317 -5.299 19.856) 21.227 5.632 ( 1.044 -8.283 15.121) 17.272 5.694 ( 2.701 -9.621 8.941) 13.409 5.848 ( -9.474 -9.017 4.787) 13.928 6.203 ( 2.807 6.388 -1.733) 7.190 6.271 ( -1.840 1.472 -3.623) 4.321 6.510 ( 2.562 0.224 -2.596) 3.655 6.617 ( -6.263 -1.928 1.181) 6.659 6.770 ( 3.330 4.466 -1.868) 5.876 6.798 ( 2.259 -2.042 -5.946) 6.680 6.924 ( 8.023 1.906 -2.188) 8.531 7.030 ( -1.598 18.204 1.026) 18.302 7.109 ( -3.789 13.360 -0.610) 13.900 7.237 ( -12.427 4.077 -0.640) 13.094 7.415 ( 8.317 4.649 -6.904) 11.767 7.543 ( -2.779 5.215 -7.090) 9.230 7.866 ( 5.610 0.276 -6.630) 8.690 7.985 ( -5.954 2.450 -7.909) 10.199 8.067 ( 5.779 11.694 -6.240) 14.460 8.265 ( -12.414 11.857 -4.893) 17.850 8.508 ( 2.849 -1.301 -5.788) 6.581 8.614 ( -5.049 -2.526 -9.580) 11.120 8.681 ( 2.345 2.782 -9.971) 10.614 8.756 ( -5.626 0.919 -10.481) 11.932 9.536 ( 12.937 -0.949 0.219) 12.973 9.670 ( -1.383 -0.027 -0.785) 1.591 9.904 ( 2.367 -10.623 1.681) 11.013 9.962 ( -2.231 -9.931 1.245) 10.255 10.204 ( 9.297 -8.418 -2.487) 12.786 10.360 ( -4.323 -6.075 -1.776) 7.665 10.531 ( 22.036 -2.105 -5.454) 22.798 10.779 ( 8.665 -4.252 -3.291) 10.198 10.941 ( -7.372 -2.240 -0.106) 7.705 11.072 ( -22.181 -2.643 -2.103) 22.437 11.348 ( 6.217 -16.743 -9.439) 20.201 11.543 ( -12.759 -14.285 -9.678) 21.460 12.804 ( 3.091 6.594 -1.523) 7.440 12.864 ( -2.650 8.570 -5.028) 10.284 13.212 ( 5.915 2.113 2.439) 6.738 13.313 ( -3.253 7.018 3.434) 8.463 13.604 ( 2.684 -3.088 0.747) 4.159 13.697 ( -6.118 0.122 -1.375) 6.272 13.873 ( 2.043 4.360 -0.709) 4.867 13.936 ( -3.623 3.984 -0.222) 5.390 14.518 ( 8.066 -9.551 5.374) 13.607 14.609 ( 1.780 -13.379 3.873) 14.041 14.789 ( 3.038 -8.468 5.868) 10.741 14.899 ( -4.559 -12.999 3.242) 14.152 15.883 ( 5.608 9.691 0.351) 11.203 16.037 ( -9.609 12.389 -0.896) 15.704 16.845 ( 2.271 -4.776 -1.558) 5.513 16.879 ( -0.824 -3.774 -2.349) 4.521 17.243 ( 2.656 0.552 -0.467) 2.752 17.287 ( -1.672 0.442 0.122) 1.734 17.415 ( 2.338 -0.377 -2.095) 3.162 17.480 ( -3.853 -2.408 -5.587) 7.201 18.563 ( 1.938 3.691 -1.751) 4.521 18.622 ( -3.944 0.966 -1.621) 4.372 19.020 ( 0.476 -6.363 -0.866) 6.439 19.026 ( -0.140 -6.720 -1.445) 6.875 27.582 ( 0.204 0.793 0.480) 0.949 27.586 ( -0.210 0.616 0.688) 0.947 27.721 ( 0.834 -1.221 1.485) 2.096 27.739 ( -0.949 -1.340 1.136) 1.997 29.000 ( 4.226 11.211 5.096) 13.020 29.116 ( -7.567 14.955 2.215) 16.906 29.511 ( 5.954 -0.413 -0.358) 5.979 29.632 ( -5.888 1.053 -2.264) 6.396 30.405 ( 12.303 7.598 -1.960) 14.593 30.645 ( -11.407 9.691 -2.142) 15.120 31.075 ( 19.876 -2.861 -11.331) 23.057 31.446 ( -16.556 -3.490 -11.275) 20.333 32.351 ( -0.438 4.478 13.550) 14.278 32.370 ( -2.478 3.828 13.518) 14.267 33.370 ( 11.729 -15.313 10.717) 22.066 33.579 ( -9.193 -18.687 8.773) 22.598 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 0.000 24.523 23.967) 34.290 3.922 ( 0.000 22.250 27.147) 35.100 4.611 ( 0.000 11.476 9.794) 15.087 4.619 ( 0.000 -6.233 16.524) 17.660 4.891 ( 0.000 -13.639 17.382) 22.094 4.944 ( 0.000 -0.811 4.893) 4.959 5.133 ( 0.000 11.769 -0.592) 11.784 5.339 ( 0.000 9.484 14.714) 17.505 5.462 ( 0.000 1.993 0.161) 2.000 5.615 ( 0.000 5.996 -6.594) 8.913 5.663 ( 0.000 10.973 24.890) 27.201 6.060 ( 0.000 -7.162 17.375) 18.793 6.100 ( 0.000 -5.283 2.321) 5.770 6.102 ( 0.000 -1.112 -1.597) 1.946 6.559 ( 0.000 0.059 -6.516) 6.517 6.663 ( 0.000 -3.468 -3.105) 4.655 6.681 ( 0.000 -0.583 -16.167) 16.178 6.692 ( 0.000 -3.110 -3.179) 4.447 7.106 ( 0.000 10.199 -8.314) 13.158 7.117 ( 0.000 10.325 -4.814) 11.392 7.365 ( 0.000 -1.354 -8.977) 9.079 7.450 ( 0.000 -1.739 -0.949) 1.981 7.669 ( 0.000 10.393 1.077) 10.449 7.672 ( 0.000 16.541 -0.748) 16.558 7.937 ( 0.000 -1.118 0.143) 1.127 8.178 ( 0.000 8.985 -10.343) 13.701 8.357 ( 0.000 8.669 -7.797) 11.660 8.487 ( 0.000 -12.511 -4.966) 13.460 8.571 ( 0.000 6.683 -12.369) 14.059 8.588 ( 0.000 -0.248 -4.875) 4.882 8.674 ( 0.000 -3.057 -9.012) 9.516 8.987 ( 0.000 -2.730 -11.311) 11.636 9.213 ( 0.000 1.660 -4.110) 4.433 9.426 ( 0.000 1.237 -7.995) 8.090 9.724 ( 0.000 9.926 -3.437) 10.504 9.834 ( 0.000 -4.237 -1.474) 4.486 9.944 ( 0.000 -10.829 -3.933) 11.521 10.097 ( 0.000 1.720 4.358) 4.685 10.164 ( 0.000 -1.687 -9.192) 9.345 10.421 ( 0.000 -8.889 -0.757) 8.921 10.906 ( 0.000 -16.566 -0.680) 16.580 10.927 ( 0.000 -7.877 -1.451) 8.010 11.542 ( 0.000 -1.905 0.692) 2.026 11.700 ( 0.000 -10.923 2.825) 11.283 12.835 ( 0.000 4.563 6.260) 7.747 12.943 ( 0.000 0.716 -2.371) 2.477 13.310 ( 0.000 9.508 -12.671) 15.841 13.360 ( 0.000 3.913 2.005) 4.397 13.577 ( 0.000 0.546 7.313) 7.333 13.885 ( 0.000 -6.144 -6.427) 8.891 14.053 ( 0.000 -9.131 -5.316) 10.566 14.061 ( 0.000 -4.730 -4.284) 6.382 14.105 ( 0.000 7.357 8.750) 11.432 14.211 ( 0.000 8.055 5.385) 9.689 14.561 ( 0.000 -14.103 6.417) 15.494 14.657 ( 0.000 -11.215 5.827) 12.638 15.993 ( 0.000 13.474 2.538) 13.711 16.473 ( 0.000 2.122 -3.759) 4.316 16.699 ( 0.000 -5.621 -0.315) 5.629 16.790 ( 0.000 -2.226 -1.356) 2.606 17.219 ( 0.000 3.711 -2.984) 4.762 17.327 ( 0.000 0.402 -0.554) 0.685 17.419 ( 0.000 0.885 -0.127) 0.894 17.489 ( 0.000 -4.075 -7.070) 8.161 18.668 ( 0.000 6.096 -1.962) 6.404 18.715 ( 0.000 -1.531 -3.140) 3.493 18.797 ( 0.000 -6.007 1.259) 6.137 18.938 ( 0.000 -4.687 -2.809) 5.464 27.603 ( 0.000 0.946 0.841) 1.266 27.608 ( 0.000 1.806 0.136) 1.811 27.680 ( 0.000 -1.010 1.743) 2.014 27.727 ( 0.000 -1.964 0.728) 2.095 29.078 ( 0.000 6.590 7.453) 9.949 29.310 ( 0.000 -3.961 5.278) 6.599 29.779 ( 0.000 8.084 -7.636) 11.120 29.793 ( 0.000 2.646 -3.632) 4.494 30.189 ( 0.000 8.301 -2.623) 8.705 30.499 ( 0.000 -3.128 -6.893) 7.569 31.195 ( 0.000 14.308 -7.637) 16.219 31.706 ( 0.000 -6.433 -10.839) 12.604 32.475 ( 0.000 -0.596 11.592) 11.607 32.566 ( 0.000 9.372 12.792) 15.858 32.780 ( 0.000 -7.968 18.279) 19.940 33.302 ( 0.000 -21.063 10.881) 23.708 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 6.898 23.534 22.157) 33.051 4.010 ( 8.769 22.309 25.729) 35.164 4.482 ( -11.299 15.568 13.518) 23.511 4.626 ( 0.766 -5.020 12.595) 13.580 4.863 ( -4.624 -2.000 11.288) 12.362 4.971 ( 2.779 -10.137 10.473) 14.838 5.198 ( 0.457 6.968 3.188) 7.676 5.308 ( 1.436 3.501 8.423) 9.234 5.474 ( -1.505 3.816 4.537) 6.117 5.567 ( -0.760 12.324 12.858) 17.827 5.651 ( -1.629 -1.191 1.883) 2.760 5.888 ( -9.395 -3.836 5.222) 11.413 6.100 ( 1.857 -3.598 2.185) 4.602 6.228 ( 3.525 -1.952 5.536) 6.847 6.564 ( -3.206 -2.917 -2.336) 4.924 6.651 ( 3.652 1.190 -6.658) 7.686 6.689 ( -0.199 -4.111 -3.425) 5.355 6.712 ( 1.930 -4.207 -7.819) 9.086 7.021 ( 1.498 12.976 -6.141) 14.433 7.292 ( 7.595 12.657 -8.611) 17.088 7.374 ( 0.132 -2.444 -1.579) 2.913 7.545 ( 5.689 10.517 -4.953) 12.943 7.578 ( -6.706 9.679 1.027) 11.819 7.638 ( -1.284 8.271 -3.680) 9.144 7.839 ( -6.790 0.372 -1.933) 7.070 8.127 ( -5.351 5.679 -7.099) 10.549 8.299 ( -1.923 10.388 -9.674) 14.325 8.490 ( -1.847 -11.493 -2.496) 11.905 8.551 ( -1.508 6.677 -9.210) 11.475 8.629 ( -3.990 -4.057 -10.159) 11.644 8.716 ( 4.722 -0.823 -6.577) 8.138 8.843 ( -8.972 -6.105 -13.172) 17.066 9.281 ( 13.081 12.305 0.388) 17.963 9.641 ( 6.549 -0.263 -6.627) 9.321 9.798 ( 4.080 6.318 -0.453) 7.534 9.818 ( 4.208 -6.931 -4.698) 9.371 9.929 ( -3.812 -4.656 -0.803) 6.071 10.052 ( 7.866 -7.088 -4.151) 11.373 10.381 ( 1.536 1.898 0.701) 2.540 10.397 ( 10.076 -9.179 -5.662) 14.759 10.901 ( -0.967 -14.152 -0.594) 14.198 10.928 ( 0.549 -11.227 -2.227) 11.459 11.405 ( -13.666 -1.648 0.259) 13.768 11.555 ( -13.144 -10.210 0.160) 16.645 12.863 ( 2.777 4.972 3.860) 6.879 13.010 ( 5.787 0.889 -0.734) 5.900 13.194 ( -6.256 5.992 -4.354) 9.695 13.478 ( 4.655 -0.072 -2.331) 5.206 13.519 ( -3.491 4.610 3.192) 6.606 13.859 ( -3.233 -0.701 -5.880) 6.746 13.948 ( -3.188 0.386 -2.456) 4.043 14.049 ( -1.796 -2.016 -3.751) 4.621 14.232 ( 6.334 -3.815 3.620) 8.233 14.277 ( 5.794 1.519 6.087) 8.540 14.560 ( 0.143 -12.259 6.913) 14.075 14.658 ( -0.195 -11.749 5.359) 12.915 16.032 ( 3.903 13.767 2.504) 14.527 16.442 ( -4.042 7.409 -3.570) 9.164 16.666 ( -1.102 -8.210 1.295) 8.384 16.795 ( -0.467 -4.558 -1.865) 4.947 17.236 ( 1.579 3.199 -2.717) 4.484 17.324 ( -0.253 0.792 -0.523) 0.983 17.410 ( -0.828 0.343 -0.437) 0.998 17.468 ( -1.920 -3.720 -6.301) 7.565 18.663 ( -0.471 5.265 -1.880) 5.610 18.692 ( -1.652 0.968 -2.430) 3.094 18.824 ( 2.144 -6.605 -0.147) 6.946 18.930 ( -0.837 -5.029 -2.702) 5.770 27.605 ( 0.198 1.128 0.806) 1.400 27.610 ( 0.143 1.891 0.240) 1.912 27.682 ( 0.209 -1.249 1.590) 2.033 27.720 ( -0.634 -1.941 0.766) 2.181 29.112 ( 3.451 7.274 7.015) 10.679 29.354 ( 4.287 -3.846 4.941) 7.588 29.596 ( -11.387 9.198 -2.218) 14.805 29.764 ( -5.909 0.016 -2.055) 6.256 30.336 ( 12.332 9.470 -5.938) 16.644 30.654 ( 13.860 -3.807 -8.942) 16.928 31.107 ( -8.411 13.512 -7.648) 17.658 31.602 ( -10.179 -7.353 -11.513) 17.036 32.454 ( -0.410 3.820 13.845) 14.368 32.567 ( -0.959 10.544 13.121) 16.860 32.866 ( 7.519 -12.192 15.504) 21.108 33.269 ( -3.325 -20.446 11.097) 23.500 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( 13.727 21.554 18.979) 31.831 4.192 ( -9.792 19.732 16.358) 27.438 4.272 ( 9.545 21.931 23.126) 33.270 4.558 ( -12.009 17.508 17.573) 27.560 4.795 ( 3.571 -11.332 3.422) 12.364 4.945 ( -8.248 -11.574 4.175) 14.813 5.178 ( 5.563 -12.130 13.334) 18.865 5.344 ( -8.372 -5.203 9.336) 13.577 5.452 ( 6.222 7.336 3.565) 10.259 5.556 ( -3.739 5.176 3.616) 7.338 5.660 ( 5.059 5.383 5.878) 9.440 5.762 ( -4.598 0.841 3.301) 5.723 6.180 ( 5.063 -2.869 2.511) 6.337 6.248 ( -0.526 -2.447 -0.068) 2.504 6.452 ( -3.455 -6.045 -1.145) 7.056 6.533 ( -7.872 -7.119 -7.447) 12.966 6.848 ( 10.668 6.882 -2.270) 12.897 6.927 ( 13.768 2.642 -0.329) 14.023 7.027 ( -3.067 10.845 -2.914) 11.641 7.222 ( -12.156 0.928 0.992) 12.231 7.467 ( 3.176 17.277 -3.474) 17.906 7.504 ( 2.957 12.390 -3.604) 13.238 7.537 ( -0.584 11.172 -4.503) 12.060 7.655 ( -3.899 4.905 -6.893) 9.316 7.838 ( 7.280 -1.487 -4.739) 8.813 7.988 ( -7.747 0.926 -5.361) 9.466 8.276 ( 0.584 1.591 -11.018) 11.148 8.386 ( -9.305 -2.781 -12.376) 15.731 8.507 ( -0.876 0.002 -1.535) 1.767 8.529 ( -1.626 3.740 -3.627) 5.458 8.770 ( 1.892 0.445 -10.604) 10.780 8.796 ( -0.313 0.786 -11.076) 11.108 9.570 ( 13.001 3.286 0.646) 13.426 9.701 ( 2.191 1.110 -3.657) 4.405 9.747 ( -3.995 -1.206 -1.021) 4.296 9.781 ( -6.028 -5.894 -1.174) 8.513 10.059 ( 9.358 -2.467 0.655) 9.700 10.224 ( -5.077 -3.240 -1.598) 6.232 10.449 ( 20.787 -6.320 -3.413) 21.993 10.696 ( 11.841 -5.656 0.330) 13.126 10.850 ( -5.045 -7.021 -3.269) 9.243 10.937 ( -3.896 -11.284 -2.190) 12.137 11.085 ( -9.359 -3.399 -3.507) 10.557 11.251 ( -16.017 -11.732 -6.173) 20.792 12.938 ( 4.681 6.293 0.680) 7.872 13.040 ( -4.935 8.043 -2.094) 9.665 13.190 ( 7.619 -3.828 2.112) 8.784 13.359 ( -8.578 -4.511 4.134) 10.537 13.626 ( 6.722 7.181 -6.116) 11.583 13.754 ( -6.282 5.039 -5.520) 9.763 13.951 ( 2.140 0.487 -4.207) 4.745 14.003 ( -2.704 0.079 -4.409) 5.173 14.329 ( 3.650 -5.225 5.583) 8.473 14.361 ( 1.153 -6.189 5.597) 8.424 14.585 ( 2.643 -10.281 6.375) 12.382 14.638 ( -1.994 -11.582 5.155) 12.834 16.145 ( 7.386 13.975 1.871) 15.917 16.308 ( -8.505 12.655 -0.431) 15.253 16.691 ( 3.102 -9.580 0.259) 10.073 16.758 ( -3.072 -7.537 -1.254) 8.235 17.276 ( 2.265 2.398 -1.842) 3.778 17.313 ( -1.147 1.872 -0.782) 2.331 17.399 ( 0.166 -1.359 -1.874) 2.321 17.424 ( -2.154 -2.758 -4.280) 5.528 18.656 ( -0.042 4.345 -1.947) 4.761 18.665 ( -0.961 3.777 -2.236) 4.494 18.868 ( 2.134 -6.561 -1.490) 7.059 18.906 ( -1.607 -5.823 -2.306) 6.466 27.610 ( 0.203 1.565 0.702) 1.727 27.612 ( 0.016 1.913 0.490) 1.975 27.690 ( 0.591 -1.682 1.225) 2.163 27.705 ( -0.860 -1.883 0.910) 2.261 29.214 ( 6.854 8.714 5.503) 12.377 29.379 ( -9.568 9.536 2.462) 13.731 29.472 ( 6.711 -3.232 3.747) 8.338 29.620 ( -7.838 -2.223 1.450) 8.275 30.607 ( 14.399 10.697 -7.648) 19.500 30.881 ( -11.806 11.589 -7.717) 18.255 30.987 ( 16.594 -5.281 -11.447) 20.840 31.331 ( -16.459 -7.435 -12.014) 21.691 32.476 ( 2.308 8.315 14.490) 16.865 32.529 ( -2.640 10.447 14.026) 17.687 33.029 ( 8.208 -16.127 12.939) 22.246 33.174 ( -6.235 -18.743 11.728) 22.972 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 0.000 -15.110 19.316) 24.524 4.107 ( 0.000 15.110 19.316) 24.524 4.518 ( 0.000 -11.745 20.632) 23.740 4.518 ( 0.000 11.745 20.632) 23.740 4.853 ( 0.000 -7.227 9.666) 12.069 4.853 ( 0.000 7.227 9.666) 12.069 5.384 ( 0.000 -9.542 2.057) 9.761 5.384 ( 0.000 9.542 2.057) 9.761 5.557 ( 0.000 -10.034 4.881) 11.158 5.557 ( 0.000 10.034 4.881) 11.158 5.946 ( 0.000 -9.922 13.208) 16.520 5.946 ( 0.000 9.922 13.208) 16.520 6.057 ( 0.000 -3.055 3.202) 4.425 6.057 ( 0.000 3.055 3.202) 4.425 6.595 ( 0.000 -4.482 -13.970) 14.671 6.595 ( 0.000 4.482 -13.970) 14.671 6.632 ( 0.000 -1.427 -0.109) 1.432 6.632 ( 0.000 1.427 -0.109) 1.432 7.238 ( 0.000 -1.487 -7.263) 7.414 7.238 ( 0.000 1.487 -7.263) 7.414 7.382 ( 0.000 -4.130 -2.572) 4.866 7.382 ( 0.000 4.130 -2.572) 4.866 7.847 ( 0.000 -6.230 1.879) 6.507 7.847 ( 0.000 6.230 1.879) 6.507 8.086 ( 0.000 -20.596 -2.569) 20.756 8.086 ( 0.000 20.596 -2.569) 20.756 8.463 ( 0.000 -13.701 -12.946) 18.850 8.463 ( 0.000 13.701 -12.946) 18.850 8.545 ( 0.000 -5.562 -7.182) 9.084 8.545 ( 0.000 5.562 -7.182) 9.084 8.756 ( 0.000 -11.226 -14.249) 18.140 8.756 ( 0.000 11.226 -14.249) 18.140 9.411 ( 0.000 -6.862 -5.612) 8.865 9.411 ( 0.000 6.862 -5.612) 8.865 9.751 ( 0.000 -3.998 -2.159) 4.544 9.751 ( 0.000 3.998 -2.159) 4.544 9.994 ( 0.000 -10.628 -7.032) 12.743 9.994 ( 0.000 10.628 -7.032) 12.743 10.283 ( 0.000 -12.025 5.765) 13.336 10.283 ( 0.000 12.025 5.765) 13.336 10.738 ( 0.000 -5.339 -2.121) 5.745 10.738 ( 0.000 5.339 -2.121) 5.745 11.551 ( 0.000 -3.239 2.610) 4.160 11.551 ( 0.000 3.239 2.610) 4.160 12.914 ( 0.000 -2.886 2.889) 4.084 12.914 ( 0.000 2.886 2.889) 4.084 13.428 ( 0.000 -0.535 -0.294) 0.610 13.428 ( 0.000 0.535 -0.294) 0.610 13.671 ( 0.000 -9.915 -6.637) 11.931 13.671 ( 0.000 9.915 -6.637) 11.931 13.981 ( 0.000 -1.138 -6.280) 6.382 13.981 ( 0.000 1.138 -6.280) 6.382 14.301 ( 0.000 -10.633 7.944) 13.273 14.301 ( 0.000 10.633 7.944) 13.273 14.420 ( 0.000 -10.865 5.752) 12.294 14.420 ( 0.000 10.865 5.752) 12.294 16.304 ( 0.000 -14.201 2.838) 14.482 16.304 ( 0.000 14.201 2.838) 14.482 16.717 ( 0.000 -4.139 -2.424) 4.797 16.717 ( 0.000 4.139 -2.424) 4.797 17.302 ( 0.000 -3.223 -3.311) 4.621 17.302 ( 0.000 3.223 -3.311) 4.621 17.432 ( 0.000 -0.931 -2.663) 2.821 17.432 ( 0.000 0.931 -2.663) 2.821 18.704 ( 0.000 -0.789 -0.801) 1.125 18.704 ( 0.000 0.789 -0.801) 1.125 18.823 ( 0.000 -5.861 -3.190) 6.673 18.823 ( 0.000 5.861 -3.190) 6.673 27.625 ( 0.000 -0.694 0.709) 0.993 27.625 ( 0.000 0.694 0.709) 0.993 27.684 ( 0.000 -1.721 0.953) 1.967 27.684 ( 0.000 1.721 0.953) 1.967 29.208 ( 0.000 -5.572 7.189) 9.095 29.208 ( 0.000 5.572 7.189) 9.095 29.832 ( 0.000 -0.706 -3.117) 3.196 29.832 ( 0.000 0.706 -3.117) 3.196 30.383 ( 0.000 -7.956 -7.410) 10.872 30.383 ( 0.000 7.956 -7.410) 10.872 31.491 ( 0.000 -12.917 -11.298) 17.160 31.491 ( 0.000 12.917 -11.298) 17.160 32.550 ( 0.000 -6.575 15.784) 17.099 32.550 ( 0.000 6.575 15.784) 17.099 32.904 ( 0.000 -15.967 13.166) 20.695 32.904 ( 0.000 15.967 13.166) 20.695 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( 6.209 -16.904 16.098) 24.154 4.166 ( 6.209 16.904 16.098) 24.155 4.574 ( 5.349 -14.566 20.547) 25.748 4.574 ( 5.349 14.566 20.547) 25.748 4.791 ( -5.843 -10.602 10.866) 16.267 4.791 ( -5.843 10.602 10.866) 16.267 5.353 ( -9.599 -9.690 14.326) 19.780 5.353 ( -9.599 9.690 14.326) 19.780 5.543 ( 3.368 -8.960 -2.685) 9.942 5.543 ( 3.368 8.960 -2.685) 9.942 5.804 ( -5.942 -6.609 1.418) 9.000 5.804 ( -5.942 6.609 1.418) 9.000 6.150 ( 1.909 -5.209 5.967) 8.148 6.150 ( 1.909 5.209 5.967) 8.148 6.555 ( -5.183 -3.108 -6.178) 8.642 6.555 ( -5.183 3.108 -6.178) 8.642 6.675 ( 8.412 -1.174 -2.644) 8.896 6.675 ( 8.412 1.174 -2.644) 8.896 7.248 ( 0.823 -8.086 -4.338) 9.213 7.248 ( 0.823 8.086 -4.338) 9.213 7.515 ( 10.075 -6.630 -5.792) 13.379 7.515 ( 10.075 6.630 -5.792) 13.379 7.742 ( -7.673 -5.268 0.168) 9.309 7.742 ( -7.673 5.268 0.168) 9.309 8.070 ( -2.361 -19.902 -2.824) 20.240 8.070 ( -2.361 19.902 -2.824) 20.240 8.390 ( -8.471 -14.718 -12.004) 20.795 8.390 ( -8.471 14.718 -12.004) 20.795 8.563 ( 2.332 -7.847 -6.609) 10.521 8.563 ( 2.332 7.847 -6.609) 10.521 8.725 ( -0.524 -5.649 -11.628) 12.938 8.725 ( -0.524 5.649 -11.628) 12.938 9.565 ( 9.545 -11.451 -3.366) 15.283 9.565 ( 9.545 11.451 -3.366) 15.283 9.771 ( 1.283 -7.314 -3.973) 8.422 9.771 ( 1.283 7.314 -3.973) 8.422 9.961 ( 1.954 -5.666 -4.496) 7.493 9.961 ( 1.954 5.666 -4.496) 7.493 10.372 ( 6.296 -8.534 3.952) 11.318 10.372 ( 6.296 8.534 3.952) 11.318 10.725 ( -0.626 -5.722 -3.146) 6.559 10.725 ( -0.626 5.722 -3.146) 6.559 11.416 ( -12.863 -3.063 1.001) 13.261 11.416 ( -12.863 3.063 1.001) 13.261 12.961 ( 4.399 -4.039 2.574) 6.503 12.961 ( 4.399 4.039 2.574) 6.503 13.352 ( -6.344 -7.528 -0.131) 9.846 13.352 ( -6.344 7.528 -0.131) 9.846 13.729 ( 4.568 -10.496 -6.752) 13.290 13.729 ( 4.568 10.496 -6.752) 13.290 13.958 ( -2.190 -3.776 -6.518) 7.845 13.958 ( -2.190 3.776 -6.518) 7.845 14.326 ( 2.377 -9.332 7.707) 12.334 14.326 ( 2.377 9.332 7.707) 12.334 14.424 ( 0.179 -9.981 6.024) 11.660 14.424 ( 0.179 9.981 6.024) 11.660 16.340 ( 3.534 -13.786 2.471) 14.445 16.340 ( 3.534 13.786 2.471) 14.445 16.675 ( -4.091 -6.369 -1.808) 7.783 16.675 ( -4.091 6.369 -1.808) 7.783 17.308 ( 0.687 -2.818 -2.985) 4.162 17.308 ( 0.687 2.818 -2.985) 4.162 17.416 ( -1.573 -0.931 -2.437) 3.046 17.416 ( -1.573 0.931 -2.437) 3.046 18.715 ( 1.075 -2.768 -1.156) 3.186 18.715 ( 1.075 2.768 -1.156) 3.186 18.811 ( -1.147 -5.853 -3.051) 6.700 18.811 ( -1.147 5.853 -3.051) 6.700 27.630 ( 0.540 -0.761 0.715) 1.175 27.630 ( 0.540 0.761 0.715) 1.175 27.678 ( -0.557 -1.590 0.915) 1.918 27.678 ( -0.557 1.590 0.915) 1.918 29.251 ( 4.285 -5.791 6.793) 9.902 29.251 ( 4.285 5.791 6.793) 9.902 29.724 ( -8.837 -3.671 -0.759) 9.599 29.724 ( -8.837 3.671 -0.759) 9.599 30.531 ( 12.773 -7.873 -8.977) 17.485 30.531 ( 12.773 7.873 -8.977) 17.485 31.387 ( -9.894 -12.287 -10.991) 19.227 31.387 ( -9.894 12.287 -10.991) 19.227 32.601 ( 4.611 -9.254 15.061) 18.269 32.601 ( 4.611 9.254 15.061) 18.269 32.879 ( -2.477 -15.680 13.248) 20.676 32.879 ( -2.477 15.680 13.248) 20.676 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( 12.242 -19.249 10.928) 25.295 4.354 ( 12.242 19.249 10.928) 25.295 4.594 ( -9.980 -16.308 9.235) 21.233 4.594 ( -9.980 16.308 9.235) 21.233 4.762 ( 9.916 -16.915 22.117) 29.557 4.762 ( 9.916 16.915 22.117) 29.557 5.043 ( -17.329 -16.237 18.981) 30.401 5.043 ( -17.329 16.237 18.981) 30.401 5.658 ( 5.440 -4.687 -2.835) 7.720 5.658 ( 5.440 4.687 -2.835) 7.720 5.733 ( -2.679 -0.901 -2.142) 3.547 5.733 ( -2.679 0.901 -2.142) 3.547 6.204 ( 6.079 -3.665 1.447) 7.244 6.204 ( 6.079 3.665 1.447) 7.244 6.385 ( -10.567 -3.803 -2.036) 11.414 6.385 ( -10.567 3.803 -2.036) 11.414 6.943 ( 15.477 -1.539 -0.467) 15.561 6.943 ( 15.477 1.539 -0.467) 15.561 7.196 ( -8.277 -4.105 -1.401) 9.345 7.196 ( -8.277 4.105 -1.401) 9.345 7.637 ( 2.377 -3.818 -3.319) 5.589 7.637 ( 2.377 3.818 -3.319) 5.589 7.683 ( 0.747 -2.947 -4.677) 5.578 7.683 ( 0.747 2.947 -4.677) 5.578 8.036 ( 1.742 -15.313 -5.590) 16.395 8.036 ( 1.742 15.313 -5.590) 16.395 8.176 ( -10.813 -11.897 -9.885) 18.873 8.176 ( -10.813 11.897 -9.885) 18.873 8.642 ( 4.693 -7.814 -7.347) 11.707 8.642 ( 4.693 7.814 -7.347) 11.707 8.713 ( -1.923 -6.629 -8.538) 10.979 8.713 ( -1.923 6.629 -8.538) 10.979 9.664 ( 2.739 -6.017 -1.630) 6.809 9.664 ( 2.739 6.017 -1.630) 6.809 9.728 ( -3.843 -1.800 -3.228) 5.331 9.728 ( -3.843 1.800 -3.228) 5.331 10.196 ( 15.873 -11.125 -1.142) 19.417 10.196 ( 15.873 11.125 -1.142) 19.417 10.414 ( -4.556 -14.577 3.155) 15.595 10.414 ( -4.556 14.577 3.155) 15.595 10.793 ( 9.936 -2.831 -5.279) 11.602 10.793 ( 9.936 2.831 -5.279) 11.602 11.094 ( -18.065 -3.399 -2.894) 18.608 11.094 ( -18.065 3.399 -2.894) 18.608 13.073 ( 6.636 -6.167 1.725) 9.222 13.073 ( 6.636 6.167 1.725) 9.222 13.213 ( -7.338 -7.806 0.696) 10.737 13.213 ( -7.338 7.806 0.696) 10.737 13.821 ( 4.423 -9.017 -7.089) 12.293 13.821 ( 4.423 9.017 -7.089) 12.293 13.900 ( -3.558 -6.763 -6.966) 10.340 13.900 ( -3.558 6.763 -6.966) 10.340 14.379 ( 2.592 -7.750 7.173) 10.874 14.379 ( 2.592 7.750 7.173) 10.874 14.417 ( -1.066 -8.274 6.572) 10.620 14.417 ( -1.066 8.274 6.572) 10.620 16.438 ( 6.115 -12.404 1.370) 13.897 16.438 ( 6.115 12.404 1.370) 13.897 16.567 ( -6.481 -9.838 -0.277) 11.784 16.567 ( -6.481 9.838 -0.277) 11.784 17.333 ( 1.798 -2.030 -2.392) 3.617 17.333 ( 1.798 2.030 -2.392) 3.617 17.375 ( -2.321 -1.299 -2.172) 3.434 17.375 ( -2.321 1.299 -2.172) 3.434 18.744 ( 1.770 -4.640 -1.922) 5.325 18.744 ( 1.770 4.640 -1.922) 5.325 18.781 ( -1.810 -5.591 -2.624) 6.436 18.781 ( -1.810 5.591 -2.624) 6.436 27.645 ( 0.890 -0.967 0.750) 1.513 27.645 ( 0.890 0.967 0.750) 1.513 27.663 ( -0.900 -1.283 0.828) 1.772 27.663 ( -0.900 1.283 0.828) 1.772 29.370 ( 7.527 -6.012 5.407) 11.047 29.370 ( 7.527 6.012 5.407) 11.047 29.539 ( -9.335 -5.474 2.783) 11.174 29.539 ( -9.335 5.474 2.783) 11.174 30.824 ( 15.936 -9.071 -10.482) 21.121 30.824 ( 15.936 9.071 -10.482) 21.121 31.134 ( -14.947 -10.805 -10.837) 21.391 31.134 ( -14.947 10.805 -10.837) 21.391 32.707 ( 5.613 -12.600 14.082) 19.712 32.707 ( 5.613 12.600 14.082) 19.712 32.809 ( -4.513 -14.668 13.520) 20.452 32.809 ( -4.513 14.668 13.520) 20.452 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 0.000 0.000 29.998) 29.998 3.478 ( 0.000 0.000 39.252) 39.252 3.863 ( 0.000 0.000 0.399) 0.399 4.395 ( 0.000 0.000 5.208) 5.208 4.705 ( 0.000 0.000 -6.536) 6.536 4.808 ( 0.000 0.000 15.006) 15.006 5.044 ( 0.000 0.000 5.006) 5.006 5.125 ( 0.000 0.000 13.268) 13.268 5.472 ( 0.000 0.000 -1.230) 1.230 5.620 ( 0.000 0.000 -9.354) 9.354 5.652 ( 0.000 0.000 -8.462) 8.462 6.172 ( 0.000 0.000 -1.326) 1.326 6.284 ( 0.000 0.000 -6.571) 6.571 6.289 ( 0.000 0.000 0.648) 0.648 6.363 ( 0.000 0.000 19.804) 19.804 6.437 ( 0.000 0.000 -7.550) 7.550 6.544 ( 0.000 0.000 -5.087) 5.087 6.741 ( 0.000 0.000 2.460) 2.460 6.788 ( 0.000 0.000 5.898) 5.898 7.004 ( 0.000 0.000 3.159) 3.159 7.172 ( 0.000 0.000 -0.146) 0.146 7.207 ( 0.000 0.000 -1.950) 1.950 7.318 ( 0.000 0.000 -6.792) 6.792 7.434 ( 0.000 0.000 -10.066) 10.066 7.454 ( 0.000 0.000 1.832) 1.832 7.906 ( 0.000 0.000 -10.916) 10.916 7.917 ( 0.000 0.000 1.695) 1.695 8.097 ( 0.000 0.000 2.091) 2.091 8.326 ( 0.000 0.000 -3.666) 3.666 8.334 ( 0.000 0.000 0.694) 0.694 8.875 ( 0.000 0.000 -0.119) 0.119 9.036 ( 0.000 0.000 0.352) 0.352 9.269 ( 0.000 0.000 -13.361) 13.361 9.336 ( 0.000 0.000 -5.921) 5.921 9.686 ( 0.000 0.000 -9.513) 9.513 9.844 ( 0.000 0.000 -10.612) 10.612 10.097 ( 0.000 0.000 1.486) 1.486 10.271 ( 0.000 0.000 -4.428) 4.428 10.671 ( 0.000 0.000 14.491) 14.491 10.800 ( 0.000 0.000 0.077) 0.077 10.967 ( 0.000 0.000 -4.804) 4.804 11.450 ( 0.000 0.000 -5.575) 5.575 11.612 ( 0.000 0.000 -11.647) 11.647 11.992 ( 0.000 0.000 -18.569) 18.569 12.490 ( 0.000 0.000 1.084) 1.084 12.556 ( 0.000 0.000 -1.509) 1.509 13.202 ( 0.000 0.000 6.668) 6.668 13.271 ( 0.000 0.000 2.405) 2.405 13.811 ( 0.000 0.000 8.589) 8.589 13.847 ( 0.000 0.000 8.594) 8.594 14.013 ( 0.000 0.000 2.249) 2.249 14.018 ( 0.000 0.000 4.411) 4.411 14.266 ( 0.000 0.000 5.341) 5.341 14.522 ( 0.000 0.000 -2.770) 2.770 15.261 ( 0.000 0.000 7.508) 7.508 15.594 ( 0.000 0.000 -1.435) 1.435 15.680 ( 0.000 0.000 -10.094) 10.094 15.690 ( 0.000 0.000 -5.501) 5.501 16.747 ( 0.000 0.000 0.083) 0.083 16.856 ( 0.000 0.000 -2.290) 2.290 17.276 ( 0.000 0.000 2.479) 2.479 17.342 ( 0.000 0.000 0.209) 0.209 17.345 ( 0.000 0.000 -0.118) 0.118 17.488 ( 0.000 0.000 -7.711) 7.711 18.391 ( 0.000 0.000 1.351) 1.351 18.679 ( 0.000 0.000 -6.855) 6.855 19.098 ( 0.000 0.000 3.853) 3.853 19.439 ( 0.000 0.000 -4.969) 4.969 27.595 ( 0.000 0.000 0.501) 0.501 27.608 ( 0.000 0.000 0.341) 0.341 27.764 ( 0.000 0.000 1.738) 1.738 27.806 ( 0.000 0.000 0.349) 0.349 28.652 ( 0.000 0.000 7.458) 7.458 28.948 ( 0.000 0.000 8.728) 8.728 29.174 ( 0.000 0.000 -9.573) 9.573 29.495 ( 0.000 0.000 -8.961) 8.961 30.194 ( 0.000 0.000 3.939) 3.939 30.441 ( 0.000 0.000 -4.228) 4.228 30.835 ( 0.000 0.000 11.298) 11.298 31.619 ( 0.000 0.000 -11.009) 11.009 32.509 ( 0.000 0.000 10.705) 10.705 32.722 ( 0.000 0.000 0.025) 0.025 33.555 ( 0.000 0.000 17.110) 17.110 34.275 ( 0.000 0.000 -8.214) 8.214 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 8.714 0.000 27.819) 29.152 3.582 ( 10.195 0.000 36.317) 37.721 3.773 ( -8.565 0.000 5.347) 10.097 4.442 ( 4.180 0.000 2.203) 4.725 4.585 ( -17.525 0.000 14.690) 22.867 4.684 ( -2.095 0.000 -5.897) 6.258 4.992 ( -2.846 0.000 3.094) 4.204 5.132 ( -0.946 0.000 6.299) 6.370 5.478 ( 0.857 0.000 -3.676) 3.775 5.607 ( -1.476 0.000 -9.592) 9.704 5.963 ( 23.408 0.000 -8.901) 25.043 6.130 ( -4.875 0.000 13.194) 14.066 6.174 ( 0.479 0.000 -0.379) 0.611 6.278 ( -1.534 0.000 0.349) 1.573 6.434 ( -1.307 0.000 5.454) 5.608 6.477 ( 4.878 0.000 -4.805) 6.847 6.620 ( 6.738 0.000 -6.072) 9.071 6.762 ( 4.608 0.000 6.214) 7.736 6.849 ( 2.926 0.000 10.734) 11.126 6.940 ( -5.894 0.000 2.031) 6.234 7.171 ( -6.585 0.000 -2.850) 7.175 7.218 ( 4.528 0.000 -1.199) 4.684 7.276 ( 0.297 0.000 -5.437) 5.445 7.400 ( -1.623 0.000 -3.986) 4.303 7.547 ( 5.615 0.000 -4.986) 7.509 7.602 ( -25.747 0.000 5.390) 26.305 7.865 ( -3.854 0.000 -10.282) 10.981 7.919 ( -4.967 0.000 -1.212) 5.113 8.354 ( 3.151 0.000 -3.238) 4.518 8.543 ( 4.745 0.000 -5.079) 6.950 8.697 ( -15.561 0.000 -2.295) 15.729 8.886 ( -17.355 0.000 -10.429) 20.247 9.305 ( 22.060 0.000 2.202) 22.170 9.653 ( 5.495 0.000 -8.933) 10.487 9.800 ( 23.501 0.000 -2.998) 23.692 10.088 ( 17.044 0.000 -10.287) 19.907 10.123 ( 2.534 0.000 1.400) 2.895 10.270 ( -0.395 0.000 -3.236) 3.261 10.662 ( -0.812 0.000 12.948) 12.973 10.811 ( 1.247 0.000 -1.020) 1.612 10.951 ( -1.601 0.000 -4.808) 5.068 11.359 ( -10.799 0.000 -4.007) 11.518 11.543 ( -5.090 0.000 -14.656) 15.515 11.845 ( -13.646 0.000 -17.838) 22.459 12.497 ( 0.682 0.000 0.828) 1.073 12.551 ( -0.532 0.000 -1.288) 1.393 13.209 ( 0.643 0.000 6.587) 6.619 13.266 ( -0.567 0.000 3.238) 3.287 13.663 ( -7.378 0.000 4.620) 8.705 13.860 ( 1.285 0.000 7.570) 7.678 13.905 ( -10.807 0.000 -1.607) 10.926 13.995 ( -1.726 0.000 2.512) 3.048 14.495 ( 19.545 0.000 8.467) 21.301 14.713 ( 14.359 0.000 1.045) 14.397 15.226 ( -3.645 0.000 7.468) 8.310 15.591 ( -8.825 0.000 -6.904) 11.204 15.604 ( 0.975 0.000 -1.767) 2.019 15.682 ( -0.816 0.000 -5.054) 5.120 16.776 ( 2.568 0.000 -1.358) 2.905 16.862 ( 0.400 0.000 -2.651) 2.681 17.283 ( 0.677 0.000 2.216) 2.317 17.339 ( -0.625 0.000 0.117) 0.636 17.345 ( 0.453 0.000 -0.346) 0.570 17.467 ( -1.978 0.000 -7.051) 7.323 18.409 ( 1.941 0.000 1.069) 2.216 18.650 ( -2.934 0.000 -5.592) 6.315 19.109 ( 1.222 0.000 2.887) 3.135 19.378 ( -5.603 0.000 -3.629) 6.676 27.593 ( -0.142 0.000 0.444) 0.466 27.605 ( -0.291 0.000 0.262) 0.392 27.768 ( 0.400 0.000 1.618) 1.667 27.802 ( -0.371 0.000 0.483) 0.609 28.670 ( 1.799 0.000 7.295) 7.514 28.893 ( -4.445 0.000 7.031) 8.318 29.231 ( 4.664 0.000 -7.937) 9.206 29.475 ( -2.042 0.000 -8.734) 8.970 30.243 ( 5.183 0.000 5.090) 7.264 30.586 ( 13.447 0.000 -6.377) 14.882 30.770 ( -6.283 0.000 10.673) 12.385 31.536 ( -8.557 0.000 -11.983) 14.725 32.501 ( -0.658 0.000 10.634) 10.654 32.642 ( -6.281 0.000 4.217) 7.565 33.667 ( 9.837 0.000 12.837) 16.173 34.225 ( -4.968 0.000 -5.873) 7.692 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 13.583 0.000 22.072) 25.917 3.551 ( -13.326 0.000 14.115) 19.412 3.859 ( 17.043 0.000 29.717) 34.257 4.221 ( -18.885 0.000 21.916) 28.930 4.536 ( 4.941 0.000 -1.812) 5.263 4.625 ( -3.839 0.000 -4.334) 5.790 4.974 ( 1.935 0.000 -5.116) 5.470 5.062 ( -5.605 0.000 -4.093) 6.940 5.510 ( 2.344 0.000 -7.671) 8.021 5.563 ( -2.724 0.000 -9.667) 10.043 6.131 ( 6.625 0.000 9.824) 11.849 6.196 ( 1.715 0.000 0.859) 1.918 6.237 ( -2.293 0.000 0.866) 2.451 6.286 ( -5.207 0.000 -1.175) 5.338 6.487 ( 17.498 0.000 17.995) 25.100 6.617 ( 8.569 0.000 -2.015) 8.802 6.760 ( -7.674 0.000 17.225) 18.858 6.784 ( 5.679 0.000 -7.054) 9.056 6.795 ( -4.568 0.000 1.310) 4.752 6.948 ( 7.851 0.000 5.735) 9.723 6.990 ( -10.376 0.000 -4.859) 11.458 7.153 ( -13.877 0.000 4.584) 14.614 7.314 ( 2.483 0.000 -3.794) 4.534 7.362 ( -2.211 0.000 -3.739) 4.343 7.420 ( 12.017 0.000 -2.844) 12.349 7.658 ( 5.635 0.000 -6.824) 8.850 7.727 ( -15.306 0.000 -5.104) 16.135 7.769 ( -5.518 0.000 -8.682) 10.287 8.421 ( 2.367 0.000 -5.367) 5.865 8.451 ( -5.049 0.000 -7.971) 9.436 8.559 ( -1.157 0.000 -6.850) 6.947 8.622 ( -8.704 0.000 -5.652) 10.378 9.667 ( 11.911 0.000 1.753) 12.039 9.763 ( 2.373 0.000 -0.039) 2.374 10.186 ( 3.447 0.000 0.836) 3.547 10.245 ( -2.241 0.000 -0.815) 2.384 10.279 ( 21.941 0.000 -2.688) 22.105 10.446 ( 16.131 0.000 -6.184) 17.275 10.634 ( 0.081 0.000 8.143) 8.143 10.850 ( 2.626 0.000 -3.182) 4.126 10.906 ( -2.755 0.000 -4.501) 5.277 11.002 ( -23.827 0.000 -2.410) 23.948 11.472 ( -1.128 0.000 -18.049) 18.084 11.562 ( -11.311 0.000 -18.865) 21.996 12.515 ( 1.052 0.000 0.151) 1.063 12.536 ( -0.957 0.000 -0.668) 1.167 13.227 ( 1.107 0.000 6.133) 6.232 13.249 ( -1.080 0.000 4.918) 5.035 13.606 ( 1.479 0.000 -0.704) 1.638 13.706 ( -8.206 0.000 -3.309) 8.848 13.897 ( 2.430 0.000 5.363) 5.888 13.950 ( -2.685 0.000 3.482) 4.397 14.876 ( 16.423 0.000 7.511) 18.059 15.013 ( 16.188 0.000 3.503) 16.562 15.111 ( -8.132 0.000 7.006) 10.734 15.344 ( -15.657 0.000 -0.524) 15.666 15.630 ( 1.501 0.000 -2.693) 3.083 15.660 ( -1.403 0.000 -3.946) 4.188 16.831 ( 2.523 0.000 -3.255) 4.118 16.862 ( -0.612 0.000 -3.375) 3.430 17.301 ( 1.068 0.000 1.544) 1.878 17.322 ( -1.036 0.000 0.744) 1.276 17.367 ( 1.852 0.000 -2.236) 2.903 17.416 ( -2.898 0.000 -5.018) 5.795 18.471 ( 4.295 0.000 -0.100) 4.296 18.568 ( -5.046 0.000 -2.627) 5.689 19.155 ( 3.656 0.000 0.783) 3.739 19.254 ( -6.137 0.000 -1.324) 6.278 27.592 ( 0.129 0.000 0.292) 0.319 27.598 ( -0.384 0.000 0.202) 0.434 27.778 ( 0.658 0.000 1.274) 1.434 27.792 ( -0.635 0.000 0.835) 1.049 28.722 ( 3.404 0.000 6.886) 7.682 28.801 ( -4.539 0.000 6.525) 7.949 29.329 ( 4.905 0.000 -7.593) 9.040 29.416 ( -3.786 0.000 -8.157) 8.993 30.394 ( 9.680 0.000 7.217) 12.074 30.597 ( -10.120 0.000 9.274) 13.726 30.923 ( 18.881 0.000 -10.284) 21.500 31.284 ( -16.450 0.000 -12.506) 20.664 32.496 ( 0.538 0.000 10.304) 10.318 32.536 ( -3.784 0.000 8.761) 9.543 33.884 ( 11.174 0.000 6.187) 12.772 34.086 ( -8.907 0.000 -0.313) 8.912 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 0.000 24.076 26.908) 36.107 3.545 ( 0.000 6.685 36.728) 37.331 4.050 ( 0.000 16.144 1.968) 16.263 4.499 ( 0.000 9.146 4.046) 10.001 4.838 ( 0.000 11.359 -5.607) 12.667 4.849 ( 0.000 3.755 15.815) 16.255 5.043 ( 0.000 0.473 3.560) 3.591 5.127 ( 0.000 0.244 10.576) 10.579 5.595 ( 0.000 10.426 0.484) 10.437 5.635 ( 0.000 -1.821 -5.460) 5.756 5.751 ( 0.000 11.643 -8.751) 14.565 6.108 ( 0.000 -11.846 2.279) 12.063 6.169 ( 0.000 -2.877 4.549) 5.383 6.329 ( 0.000 -2.178 -5.474) 5.892 6.380 ( 0.000 5.348 1.716) 5.617 6.493 ( 0.000 6.729 -8.020) 10.469 6.522 ( 0.000 -2.457 5.870) 6.364 6.723 ( 0.000 1.201 1.518) 1.935 6.792 ( 0.000 -0.040 7.233) 7.233 6.997 ( 0.000 -11.149 -0.689) 11.170 7.173 ( 0.000 11.996 1.740) 12.121 7.232 ( 0.000 1.992 -1.728) 2.637 7.327 ( 0.000 0.684 -3.298) 3.368 7.400 ( 0.000 -2.210 -9.007) 9.274 7.588 ( 0.000 8.327 -1.806) 8.521 7.905 ( 0.000 0.143 -9.583) 9.584 8.069 ( 0.000 13.435 -0.029) 13.435 8.172 ( 0.000 6.169 -0.040) 6.169 8.309 ( 0.000 -2.313 0.331) 2.336 8.323 ( 0.000 -0.211 -4.191) 4.196 8.848 ( 0.000 -2.655 -0.534) 2.708 9.003 ( 0.000 -2.940 0.183) 2.946 9.236 ( 0.000 -3.152 -13.155) 13.528 9.293 ( 0.000 -3.209 -6.609) 7.347 9.617 ( 0.000 -5.199 -7.299) 8.961 9.835 ( 0.000 -0.408 -10.984) 10.991 10.091 ( 0.000 -1.522 0.638) 1.650 10.249 ( 0.000 -2.550 -4.176) 4.893 10.491 ( 0.000 -11.105 12.348) 16.607 10.868 ( 0.000 -8.727 -4.306) 9.731 10.920 ( 0.000 5.600 0.835) 5.662 11.390 ( 0.000 -6.698 -7.789) 10.273 11.587 ( 0.000 -1.229 -6.589) 6.702 11.960 ( 0.000 -3.247 -15.829) 16.159 12.563 ( 0.000 6.602 0.142) 6.604 12.617 ( 0.000 5.496 -2.333) 5.970 13.154 ( 0.000 -3.486 6.187) 7.102 13.282 ( 0.000 1.028 1.524) 1.839 13.810 ( 0.000 -2.569 7.928) 8.334 13.909 ( 0.000 7.118 7.431) 10.290 13.985 ( 0.000 -2.301 1.597) 2.801 14.061 ( 0.000 3.554 4.250) 5.540 14.265 ( 0.000 -0.800 4.547) 4.617 14.461 ( 0.000 -6.107 -3.009) 6.808 15.187 ( 0.000 -6.814 6.246) 9.243 15.323 ( 0.000 -15.989 -0.759) 16.007 15.694 ( 0.000 1.323 -3.039) 3.314 15.892 ( 0.000 11.178 -9.132) 14.435 16.764 ( 0.000 1.357 -0.005) 1.357 16.859 ( 0.000 -0.062 -2.003) 2.004 17.232 ( 0.000 -3.102 2.089) 3.740 17.335 ( 0.000 -0.862 -0.153) 0.876 17.365 ( 0.000 1.457 0.194) 1.470 17.470 ( 0.000 -1.660 -7.519) 7.701 18.426 ( 0.000 3.132 1.027) 3.296 18.679 ( 0.000 -0.114 -6.043) 6.044 19.072 ( 0.000 -2.446 2.718) 3.657 19.315 ( 0.000 -10.555 -2.447) 10.835 27.584 ( 0.000 -0.711 0.475) 0.854 27.603 ( 0.000 -0.368 0.211) 0.424 27.756 ( 0.000 -0.654 1.659) 1.783 27.797 ( 0.000 -0.816 0.305) 0.871 28.822 ( 0.000 13.510 4.835) 14.349 29.027 ( 0.000 7.976 7.606) 11.021 29.238 ( 0.000 5.339 -7.588) 9.278 29.527 ( 0.000 2.881 -8.138) 8.633 30.185 ( 0.000 -0.756 3.954) 4.026 30.441 ( 0.000 -0.057 -4.596) 4.597 30.853 ( 0.000 1.867 9.401) 9.585 31.610 ( 0.000 -1.022 -11.863) 11.907 32.534 ( 0.000 2.403 10.473) 10.746 32.699 ( 0.000 -1.852 1.829) 2.603 33.491 ( 0.000 -5.795 16.841) 17.810 34.149 ( 0.000 -11.359 -5.704) 12.711 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 7.185 22.632 25.573) 34.897 3.638 ( 9.113 5.946 33.065) 34.810 3.964 ( -7.870 16.334 6.861) 19.386 4.515 ( -2.576 6.563 3.681) 7.954 4.674 ( -9.517 8.074 11.319) 16.849 4.824 ( -2.144 11.863 -5.251) 13.149 4.983 ( -3.349 -0.381 3.075) 4.563 5.132 ( -0.996 0.107 4.795) 4.898 5.600 ( 0.825 10.165 -1.933) 10.380 5.733 ( -0.844 9.995 -7.933) 12.788 5.914 ( 18.586 -2.763 -4.480) 19.317 6.036 ( -2.558 -7.683 10.575) 13.320 6.193 ( 0.648 -4.959 2.062) 5.409 6.270 ( -1.335 0.021 0.527) 1.436 6.395 ( 0.949 0.340 1.533) 1.835 6.523 ( 3.613 7.245 -7.350) 10.935 6.638 ( 6.210 -2.019 1.801) 6.773 6.730 ( 1.960 0.588 -0.893) 2.233 6.852 ( 4.186 0.318 9.380) 10.276 6.981 ( -2.799 -5.214 4.204) 7.259 7.080 ( -8.395 -0.793 -1.179) 8.514 7.195 ( -0.676 3.938 -2.478) 4.701 7.304 ( 0.656 2.039 -4.386) 4.881 7.468 ( 0.118 0.517 -4.125) 4.159 7.616 ( 2.337 7.807 -2.017) 8.395 7.711 ( -17.050 7.503 0.081) 18.628 7.909 ( -5.398 4.157 -7.379) 10.043 8.050 ( -3.623 12.100 -3.168) 13.022 8.341 ( 3.033 -1.126 -3.689) 4.907 8.525 ( 3.865 -1.420 -5.202) 6.634 8.677 ( -15.227 -1.857 -2.379) 15.523 8.856 ( -15.524 -2.927 -10.397) 18.912 9.271 ( 20.951 -2.867 2.318) 21.273 9.616 ( 5.568 -3.335 -8.414) 10.626 9.745 ( 21.812 -3.855 -3.105) 22.367 10.038 ( 15.135 -3.551 -9.002) 17.964 10.131 ( 5.057 -1.216 -1.037) 5.304 10.250 ( -0.285 -2.249 -2.536) 3.401 10.475 ( -0.902 -11.328 9.734) 14.963 10.839 ( -2.190 -7.698 -4.557) 9.209 10.941 ( 1.293 4.274 0.583) 4.503 11.340 ( -7.037 -3.320 -5.789) 9.698 11.483 ( -8.366 -4.180 -9.388) 13.251 11.798 ( -14.785 -4.141 -15.054) 21.503 12.575 ( 1.016 6.840 -0.542) 6.937 12.616 ( -0.137 5.721 -2.235) 6.143 13.183 ( 2.759 -1.893 5.753) 6.655 13.286 ( 0.246 1.879 2.418) 3.072 13.725 ( -8.358 4.020 4.199) 10.181 13.838 ( 0.505 -1.091 7.172) 7.272 13.910 ( -10.124 -0.908 -1.215) 10.237 13.985 ( -2.874 0.298 1.631) 3.318 14.489 ( 17.524 -1.360 6.876) 18.874 14.654 ( 14.080 -5.853 0.744) 15.266 15.148 ( -3.835 -7.152 6.214) 10.222 15.301 ( -2.666 -14.961 -0.862) 15.221 15.697 ( 0.345 2.323 -2.529) 3.451 15.849 ( -3.959 11.527 -6.332) 13.735 16.787 ( 2.113 0.821 -1.241) 2.585 16.864 ( 0.344 -0.091 -2.383) 2.409 17.244 ( 1.140 -2.791 1.801) 3.512 17.328 ( -0.707 -0.904 0.073) 1.150 17.364 ( 0.014 1.175 -0.293) 1.211 17.451 ( -1.791 -1.507 -6.859) 7.248 18.440 ( 1.505 2.758 0.799) 3.242 18.650 ( -2.865 -0.077 -4.881) 5.661 19.079 ( 0.855 -2.712 1.992) 3.472 19.271 ( -4.061 -9.157 -1.777) 10.173 27.584 ( 0.043 -0.575 0.418) 0.712 27.600 ( -0.301 -0.342 0.206) 0.500 27.760 ( 0.331 -0.717 1.521) 1.714 27.792 ( -0.417 -0.856 0.426) 1.043 28.828 ( 0.735 12.726 5.278) 13.797 28.984 ( -3.518 8.703 6.561) 11.452 29.287 ( 4.184 4.759 -6.545) 9.110 29.512 ( -1.638 3.365 -8.027) 8.857 30.236 ( 5.408 -0.529 4.829) 7.269 30.581 ( 13.051 -0.518 -6.773) 14.713 30.785 ( -6.645 1.554 8.955) 11.259 31.522 ( -8.937 -1.432 -12.640) 15.547 32.525 ( -0.708 2.360 10.478) 10.764 32.633 ( -5.146 -0.581 5.469) 7.531 33.595 ( 9.064 -6.630 12.967) 17.154 34.104 ( -4.412 -10.866 -3.719) 12.303 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 11.842 19.820 21.169) 31.324 3.744 ( -10.453 16.326 14.825) 24.405 3.911 ( 14.553 5.910 25.883) 30.277 4.251 ( -17.891 3.833 18.324) 25.895 4.682 ( 4.342 12.007 -0.635) 12.784 4.765 ( -3.734 12.003 -3.827) 13.140 4.960 ( 1.977 -0.967 -4.397) 4.917 5.054 ( -6.094 -0.560 -4.345) 7.505 5.635 ( 2.668 10.297 -5.955) 12.190 5.694 ( -2.833 10.758 -7.975) 13.688 6.049 ( 5.620 -5.954 8.743) 11.978 6.160 ( -3.840 -5.456 5.529) 8.665 6.197 ( 5.612 -4.348 7.254) 10.150 6.257 ( -1.555 -1.525 3.609) 4.215 6.524 ( 11.902 0.751 1.687) 12.044 6.614 ( 4.615 2.993 -5.889) 8.058 6.678 ( -1.947 -4.882 3.277) 6.193 6.791 ( -8.728 -1.462 1.738) 9.019 6.814 ( 4.145 1.406 0.036) 4.377 6.937 ( -0.186 1.699 7.427) 7.621 7.018 ( 2.990 2.452 5.198) 6.479 7.211 ( -10.951 2.361 0.948) 11.242 7.262 ( 4.138 -0.164 -1.679) 4.468 7.347 ( -2.523 2.834 -2.967) 4.817 7.608 ( 3.822 10.775 -6.648) 13.225 7.694 ( 1.330 2.729 -5.858) 6.598 7.810 ( -3.499 7.265 -6.594) 10.417 7.905 ( -10.148 11.607 -4.644) 16.102 8.405 ( 2.233 -1.642 -7.296) 7.805 8.436 ( -3.854 -1.077 -7.218) 8.253 8.543 ( -0.828 -0.973 -5.927) 6.064 8.617 ( -8.503 -0.443 -5.199) 9.976 9.617 ( 11.501 -4.185 1.244) 12.302 9.716 ( 1.702 -3.991 -0.706) 4.396 10.086 ( 9.315 -7.135 0.682) 11.753 10.198 ( -2.642 -4.169 1.050) 5.046 10.299 ( 11.704 -2.239 -2.720) 12.222 10.395 ( 9.488 -5.673 -6.539) 12.844 10.519 ( 13.015 -5.128 3.219) 14.354 10.820 ( 1.162 -5.603 -4.375) 7.203 10.926 ( -4.837 2.612 -0.129) 5.498 11.017 ( -21.839 0.590 -3.879) 22.189 11.393 ( -0.685 -7.135 -13.430) 15.223 11.494 ( -12.169 -5.726 -16.265) 21.105 12.595 ( 0.952 6.785 -1.403) 6.994 12.610 ( -0.511 6.266 -1.944) 6.581 13.247 ( 3.065 1.726 5.416) 6.459 13.284 ( -0.693 3.281 4.405) 5.536 13.631 ( -0.475 1.687 -0.407) 1.799 13.710 ( -7.946 -0.564 -2.780) 8.437 13.875 ( 2.502 -1.329 4.535) 5.347 13.931 ( -2.926 -1.135 2.654) 4.110 14.811 ( 13.614 -6.365 6.223) 16.265 14.931 ( 11.461 -8.491 2.881) 14.552 15.043 ( -5.122 -5.661 5.472) 9.393 15.192 ( -8.892 -10.862 0.104) 14.038 15.713 ( 1.466 5.479 -1.525) 5.874 15.764 ( -3.847 9.943 -2.138) 10.873 16.834 ( 2.246 0.012 -2.925) 3.688 16.863 ( -0.650 -0.195 -3.079) 3.153 17.274 ( 1.824 -1.951 1.153) 2.909 17.307 ( -1.369 -1.144 0.607) 1.885 17.372 ( 1.000 0.263 -2.041) 2.288 17.407 ( -2.358 -0.908 -4.849) 5.468 18.489 ( 3.561 1.693 -0.145) 3.945 18.573 ( -4.528 0.474 -2.263) 5.084 19.112 ( 2.579 -3.869 0.519) 4.678 19.181 ( -4.374 -6.251 -0.679) 7.660 27.586 ( 0.229 -0.365 0.304) 0.527 27.593 ( -0.382 -0.300 0.224) 0.535 27.769 ( 0.588 -0.843 1.167) 1.555 27.782 ( -0.638 -0.901 0.749) 1.334 28.856 ( 2.159 11.231 5.909) 12.873 28.912 ( -3.451 9.869 6.160) 12.135 29.378 ( 4.654 4.216 -6.532) 9.061 29.461 ( -3.531 3.903 -7.348) 9.038 30.394 ( 10.093 0.133 6.259) 11.877 30.606 ( -10.552 0.932 7.692) 13.092 30.908 ( 18.478 -1.455 -10.423) 21.265 31.265 ( -16.502 -1.861 -12.779) 20.954 32.517 ( 0.281 2.120 10.363) 10.581 32.548 ( -2.986 1.280 9.243) 9.797 33.795 ( 10.289 -8.135 6.886) 14.814 33.979 ( -8.074 -9.645 1.086) 12.625 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( 0.000 14.214 31.842) 34.871 3.840 ( 0.000 29.233 22.465) 36.868 4.455 ( 0.000 19.214 4.589) 19.754 4.746 ( 0.000 13.203 0.707) 13.222 4.947 ( 0.000 4.451 16.403) 16.996 5.042 ( 0.000 5.080 1.136) 5.205 5.135 ( 0.000 0.122 5.052) 5.053 5.173 ( 0.000 13.868 -4.887) 14.704 5.566 ( 0.000 -4.100 2.477) 4.790 5.814 ( 0.000 -14.363 6.947) 15.955 5.828 ( 0.000 9.594 6.604) 11.647 6.058 ( 0.000 14.294 -5.259) 15.230 6.113 ( 0.000 -0.699 1.869) 1.995 6.227 ( 0.000 -5.835 -6.266) 8.562 6.421 ( 0.000 0.776 1.035) 1.293 6.627 ( 0.000 0.617 -1.716) 1.824 6.655 ( 0.000 7.763 -5.675) 9.616 6.742 ( 0.000 3.425 3.267) 4.733 6.744 ( 0.000 -7.612 -4.602) 8.895 6.831 ( 0.000 2.927 5.023) 5.814 7.270 ( 0.000 -0.623 -0.384) 0.732 7.382 ( 0.000 2.643 -4.804) 5.483 7.402 ( 0.000 9.022 -1.062) 9.085 7.449 ( 0.000 12.123 2.172) 12.316 7.770 ( 0.000 9.061 -4.467) 10.102 7.908 ( 0.000 -0.092 -9.596) 9.596 8.241 ( 0.000 -3.617 -2.001) 4.133 8.290 ( 0.000 2.038 -6.867) 7.163 8.360 ( 0.000 6.157 -1.330) 6.299 8.405 ( 0.000 15.126 -2.716) 15.368 8.745 ( 0.000 -7.722 -1.655) 7.897 8.922 ( 0.000 -4.506 -1.619) 4.788 9.142 ( 0.000 -4.922 -10.225) 11.349 9.243 ( 0.000 -0.854 -8.036) 8.081 9.544 ( 0.000 0.409 -2.886) 2.915 9.850 ( 0.000 2.008 -11.196) 11.375 9.989 ( 0.000 -8.121 0.735) 8.154 10.143 ( 0.000 -7.499 -3.949) 8.475 10.281 ( 0.000 -7.606 8.876) 11.689 10.623 ( 0.000 -13.463 -3.903) 14.017 10.982 ( 0.000 -0.100 -0.613) 0.621 11.183 ( 0.000 -11.855 -5.186) 12.940 11.564 ( 0.000 -1.322 -2.072) 2.458 11.848 ( 0.000 -7.159 -9.653) 12.018 12.751 ( 0.000 10.543 -0.841) 10.577 12.764 ( 0.000 7.521 -3.251) 8.194 13.090 ( 0.000 -2.085 3.445) 4.026 13.314 ( 0.000 1.946 0.084) 1.948 13.752 ( 0.000 -2.374 6.884) 7.282 13.918 ( 0.000 -4.082 -0.855) 4.170 14.057 ( 0.000 5.165 4.147) 6.624 14.161 ( 0.000 5.682 3.974) 6.934 14.203 ( 0.000 -4.412 2.806) 5.229 14.249 ( 0.000 -13.408 -3.195) 13.783 14.981 ( 0.000 -15.324 3.634) 15.749 14.993 ( 0.000 -10.755 4.449) 11.639 15.795 ( 0.000 8.794 1.619) 8.941 16.137 ( 0.000 11.808 -9.162) 14.946 16.788 ( 0.000 0.417 -0.389) 0.570 16.828 ( 0.000 -3.492 -0.785) 3.579 17.175 ( 0.000 -1.721 0.850) 1.919 17.317 ( 0.000 -0.772 -0.799) 1.111 17.395 ( 0.000 1.359 -0.219) 1.377 17.422 ( 0.000 -2.502 -6.315) 6.793 18.516 ( 0.000 5.150 0.101) 5.151 18.673 ( 0.000 -0.359 -4.026) 4.042 18.999 ( 0.000 -4.252 0.294) 4.262 19.057 ( 0.000 -12.312 1.133) 12.364 27.580 ( 0.000 0.596 0.211) 0.632 27.599 ( 0.000 0.160 0.059) 0.170 27.737 ( 0.000 -1.185 1.456) 1.877 27.772 ( 0.000 -1.462 0.216) 1.478 29.068 ( 0.000 8.782 7.049) 11.261 29.324 ( 0.000 17.963 -0.943) 17.988 29.355 ( 0.000 4.501 -2.152) 4.989 29.610 ( 0.000 4.715 -6.505) 8.034 30.170 ( 0.000 -0.316 3.791) 3.804 30.434 ( 0.000 -0.753 -4.891) 4.949 30.923 ( 0.000 4.962 3.580) 6.119 31.565 ( 0.000 -3.533 -13.702) 14.151 32.619 ( 0.000 5.822 9.772) 11.374 32.667 ( 0.000 -0.458 6.335) 6.351 33.322 ( 0.000 -9.663 16.130) 18.803 33.832 ( 0.000 -17.416 -0.470) 17.422 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 4.716 15.386 29.042) 33.202 3.913 ( 7.084 25.726 20.778) 33.819 4.367 ( -7.377 18.547 8.631) 21.747 4.721 ( -9.579 13.295 3.507) 16.757 4.884 ( 0.472 9.465 7.261) 11.938 4.966 ( -3.762 1.453 2.627) 4.813 5.124 ( -2.692 6.747 -0.723) 7.300 5.163 ( -1.286 9.332 -2.570) 9.765 5.717 ( 7.884 -8.573 3.694) 12.218 5.818 ( 1.086 6.387 6.758) 9.362 5.823 ( 1.385 -10.018 7.049) 12.328 6.054 ( -1.587 -2.390 5.680) 6.364 6.111 ( 3.201 11.925 -7.097) 14.242 6.216 ( 0.067 -2.589 -0.110) 2.593 6.429 ( 0.265 -0.735 -2.531) 2.649 6.585 ( -2.599 0.476 -7.459) 7.913 6.741 ( 4.381 0.843 1.457) 4.694 6.757 ( 1.559 5.001 -4.172) 6.697 6.808 ( 5.545 -5.594 5.119) 9.394 6.874 ( 3.765 4.759 3.290) 6.903 7.153 ( -4.841 8.477 -2.771) 10.147 7.346 ( -4.526 8.031 -2.780) 9.629 7.413 ( -1.922 7.769 2.650) 8.430 7.484 ( 2.624 1.670 -1.423) 3.421 7.732 ( -3.227 3.291 -4.384) 6.361 7.897 ( -1.374 9.399 -6.011) 11.241 8.010 ( -8.734 3.889 -1.623) 9.697 8.314 ( 2.013 1.196 -9.101) 9.397 8.379 ( -1.778 13.456 -2.761) 13.851 8.510 ( -0.178 1.343 -4.973) 5.155 8.620 ( -11.442 -3.630 -2.460) 12.253 8.758 ( -11.210 -6.419 -10.237) 16.482 9.213 ( 18.190 -1.349 2.312) 18.386 9.532 ( 7.773 -3.840 -8.652) 12.248 9.688 ( 17.181 -0.512 -2.184) 17.327 9.964 ( 10.517 -3.511 -7.603) 13.444 10.008 ( 2.017 -10.190 1.219) 10.459 10.158 ( 0.395 -6.262 -0.857) 6.333 10.304 ( 4.550 -3.534 1.604) 5.981 10.594 ( -2.089 -13.810 -4.959) 14.821 10.991 ( 0.679 -0.449 -0.058) 0.816 11.179 ( -0.491 -11.012 -4.769) 12.010 11.421 ( -14.285 -2.016 -2.671) 14.671 11.675 ( -15.925 -7.321 -9.388) 19.883 12.747 ( 0.152 7.902 -1.426) 8.031 12.778 ( 0.469 9.790 -3.876) 10.540 13.143 ( 5.259 -1.839 3.956) 6.833 13.345 ( 2.772 3.641 0.555) 4.609 13.717 ( -4.426 -4.042 5.040) 7.831 13.837 ( -8.796 -3.209 -1.199) 9.440 13.904 ( -4.951 3.667 2.591) 6.684 14.017 ( -5.755 1.251 -0.426) 5.905 14.413 ( 12.084 -5.327 3.962) 13.787 14.469 ( 13.205 -10.095 1.241) 16.668 14.939 ( -2.954 -11.827 5.000) 13.176 15.001 ( -0.591 -12.667 2.935) 13.016 15.821 ( 2.670 9.705 1.748) 10.216 16.102 ( -3.424 12.311 -6.741) 14.448 16.790 ( 0.456 -1.338 -0.679) 1.568 16.837 ( 0.432 -2.822 -1.553) 3.250 17.193 ( 1.804 -1.426 0.661) 2.393 17.311 ( -0.605 -0.538 -0.423) 0.914 17.388 ( -0.718 0.948 -0.639) 1.350 17.408 ( -1.368 -2.325 -5.894) 6.482 18.520 ( 0.540 4.688 -0.005) 4.719 18.648 ( -2.390 -0.016 -3.159) 3.961 19.000 ( 0.111 -4.567 0.097) 4.569 19.045 ( -1.116 -10.905 0.792) 10.990 27.583 ( 0.212 0.650 0.217) 0.717 27.598 ( -0.132 0.301 0.094) 0.342 27.738 ( 0.179 -1.277 1.304) 1.834 27.767 ( -0.483 -1.496 0.309) 1.602 29.076 ( 0.999 9.697 6.908) 11.947 29.271 ( -4.329 16.332 1.183) 16.938 29.394 ( 3.539 4.250 -2.088) 5.912 29.607 ( -0.929 5.252 -6.511) 8.416 30.231 ( 6.407 0.536 3.560) 7.349 30.561 ( 11.893 -1.514 -7.062) 13.914 30.846 ( -7.496 4.495 3.380) 9.371 31.467 ( -9.708 -3.983 -13.850) 17.376 32.605 ( -1.150 4.835 9.958) 11.130 32.642 ( -1.926 2.480 8.441) 9.006 33.402 ( 7.079 -11.021 13.216) 18.608 33.800 ( -3.267 -16.871 0.831) 17.204 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 10.071 16.712 23.451) 30.507 4.095 ( 7.681 20.149 16.490) 27.146 4.209 ( -4.960 18.718 16.009) 25.125 4.431 ( -16.446 14.742 11.284) 24.801 4.902 ( 2.193 0.076 -2.297) 3.177 4.992 ( 0.701 9.305 -3.903) 10.114 5.027 ( -3.077 4.997 -1.868) 6.158 5.101 ( -4.154 12.950 -3.904) 14.149 5.794 ( 2.422 -2.192 3.570) 4.839 5.831 ( -0.443 -1.339 3.111) 3.416 5.913 ( 5.863 -6.473 10.317) 13.517 6.015 ( -3.243 -6.958 10.724) 13.189 6.201 ( 3.239 6.568 -1.874) 7.559 6.223 ( 0.101 1.874 0.342) 1.908 6.455 ( 3.161 -6.221 -2.899) 7.556 6.530 ( -3.455 -6.668 -8.115) 11.057 6.721 ( -0.676 5.718 1.014) 5.846 6.765 ( -2.614 -0.428 3.212) 4.163 6.985 ( 8.936 13.703 -2.983) 16.629 7.016 ( 11.326 2.780 6.381) 13.294 7.123 ( -1.478 10.861 0.578) 10.976 7.243 ( -8.386 2.468 0.260) 8.746 7.355 ( -0.449 6.550 1.512) 6.737 7.440 ( -4.931 5.332 -2.497) 7.680 7.745 ( 4.226 2.186 -5.303) 7.125 7.832 ( -4.310 7.828 -7.092) 11.408 7.971 ( 3.643 7.159 -3.250) 8.665 8.164 ( -15.465 8.506 -4.531) 18.222 8.374 ( 3.403 0.538 -10.447) 11.001 8.429 ( -1.755 1.274 -7.791) 8.088 8.550 ( -0.166 2.482 -3.623) 4.394 8.604 ( -5.415 -0.849 -4.203) 6.907 9.535 ( 11.179 -2.139 -0.085) 11.382 9.632 ( 1.435 -2.808 -2.658) 4.124 9.914 ( 6.070 -8.786 0.599) 10.696 10.011 ( -3.295 -13.468 2.949) 14.175 10.162 ( 7.159 -6.488 -1.812) 9.830 10.279 ( 1.807 -6.100 -5.539) 8.435 10.462 ( 19.556 -1.905 -1.683) 19.720 10.687 ( 14.120 -5.701 -6.397) 16.517 10.943 ( -11.688 -1.060 0.432) 11.744 11.020 ( -20.600 -0.442 -2.693) 20.780 11.188 ( 1.492 -11.751 -6.462) 13.493 11.333 ( -14.624 -9.481 -11.051) 20.637 12.758 ( 0.807 7.702 -2.426) 8.116 12.774 ( -0.719 8.846 -3.606) 9.579 13.281 ( 7.827 0.660 4.275) 8.943 13.386 ( -0.659 6.140 3.389) 7.044 13.611 ( -3.275 -6.050 -0.647) 6.910 13.661 ( -7.121 -1.633 -2.165) 7.620 13.884 ( 1.523 2.025 1.566) 2.979 13.935 ( -3.315 1.411 0.204) 3.609 14.614 ( 7.843 -11.024 4.180) 14.160 14.671 ( 4.477 -13.767 2.310) 14.660 14.894 ( 0.151 -8.318 4.654) 9.533 14.957 ( -3.797 -10.868 2.463) 11.772 15.899 ( 5.062 11.653 1.183) 12.760 16.009 ( -5.650 12.740 -1.904) 14.066 16.810 ( 1.400 -2.894 -1.732) 3.652 16.834 ( -0.779 -2.979 -2.202) 3.786 17.241 ( 2.771 -0.797 0.310) 2.900 17.289 ( -1.781 -0.247 0.213) 1.811 17.373 ( -0.452 -0.338 -2.220) 2.291 17.379 ( -1.096 -1.434 -4.304) 4.667 18.542 ( 1.796 3.281 -0.430) 3.765 18.591 ( -2.984 1.338 -1.512) 3.603 19.006 ( 0.521 -5.773 -0.139) 5.798 19.022 ( -1.069 -8.088 0.128) 8.159 27.588 ( 0.316 0.702 0.214) 0.799 27.594 ( -0.264 0.572 0.167) 0.651 27.744 ( 0.448 -1.453 0.946) 1.790 27.756 ( -0.636 -1.533 0.571) 1.755 29.112 ( 2.725 11.691 6.244) 13.531 29.182 ( -4.262 13.942 4.406) 15.230 29.479 ( 4.585 4.370 -3.037) 7.025 29.562 ( -3.523 4.921 -4.843) 7.751 30.413 ( 11.367 2.136 2.794) 11.899 30.649 ( -11.695 3.489 2.738) 12.508 30.860 ( 17.266 -3.101 -10.517) 20.453 31.202 ( -16.321 -4.138 -13.079) 21.320 32.591 ( 0.051 4.812 10.499) 11.549 32.607 ( -1.437 4.948 10.136) 11.371 33.560 ( 8.153 -13.349 8.452) 17.780 33.705 ( -6.233 -15.409 4.137) 17.129 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 0.000 18.637 26.062) 32.040 4.376 ( 0.000 19.631 19.076) 27.373 4.743 ( 0.000 6.748 3.627) 7.661 4.902 ( 0.000 -6.169 7.851) 9.985 5.045 ( 0.000 5.583 8.827) 10.444 5.150 ( 0.000 6.576 4.074) 7.736 5.165 ( 0.000 3.781 8.883) 9.654 5.440 ( 0.000 7.115 -2.399) 7.509 5.544 ( 0.000 2.970 3.924) 4.921 5.561 ( 0.000 -5.308 3.103) 6.148 5.986 ( 0.000 5.861 8.023) 9.936 6.079 ( 0.000 -4.354 -4.391) 6.183 6.159 ( 0.000 4.609 -0.394) 4.626 6.297 ( 0.000 3.723 -0.166) 3.726 6.411 ( 0.000 -3.578 -2.416) 4.317 6.495 ( 0.000 -9.364 4.561) 10.416 6.608 ( 0.000 -3.194 -5.343) 6.225 6.638 ( 0.000 -2.771 -1.754) 3.279 6.963 ( 0.000 10.329 -5.318) 11.618 7.055 ( 0.000 14.414 -2.290) 14.594 7.218 ( 0.000 -3.575 -2.595) 4.418 7.459 ( 0.000 2.142 2.778) 3.508 7.680 ( 0.000 15.843 0.883) 15.867 7.702 ( 0.000 10.586 2.057) 10.784 7.931 ( 0.000 4.834 -14.032) 14.841 7.939 ( 0.000 4.153 0.238) 4.160 8.185 ( 0.000 0.214 -10.071) 10.074 8.330 ( 0.000 2.444 -10.605) 10.883 8.457 ( 0.000 -4.406 -0.230) 4.412 8.530 ( 0.000 -6.281 -1.110) 6.378 8.568 ( 0.000 -1.238 -2.768) 3.032 8.768 ( 0.000 -11.389 -9.774) 15.008 9.151 ( 0.000 7.637 -2.233) 7.956 9.266 ( 0.000 3.049 -7.281) 7.893 9.662 ( 0.000 8.150 -2.287) 8.465 9.812 ( 0.000 -6.339 -0.685) 6.376 9.858 ( 0.000 -5.511 -5.340) 7.674 9.978 ( 0.000 -5.339 -8.614) 10.134 10.198 ( 0.000 1.368 5.345) 5.517 10.395 ( 0.000 -4.358 -1.861) 4.739 10.899 ( 0.000 -14.620 -0.566) 14.631 10.900 ( 0.000 -7.876 -1.273) 7.978 11.538 ( 0.000 -0.593 -0.658) 0.886 11.680 ( 0.000 -7.677 -3.936) 8.627 12.903 ( 0.000 5.025 -1.451) 5.230 12.956 ( 0.000 5.596 5.034) 7.527 13.100 ( 0.000 5.503 -6.993) 8.899 13.361 ( 0.000 1.862 -2.547) 3.155 13.714 ( 0.000 -1.471 5.944) 6.123 13.788 ( 0.000 -8.815 -2.894) 9.278 13.972 ( 0.000 -9.159 -2.651) 9.535 13.981 ( 0.000 -8.279 -3.817) 9.117 14.255 ( 0.000 7.377 6.419) 9.779 14.312 ( 0.000 8.339 4.312) 9.388 14.686 ( 0.000 -12.611 5.820) 13.889 14.753 ( 0.000 -11.519 3.767) 12.120 16.055 ( 0.000 14.662 3.805) 15.148 16.372 ( 0.000 9.061 -6.178) 10.966 16.703 ( 0.000 -7.535 0.598) 7.559 16.762 ( 0.000 -3.143 -1.402) 3.441 17.170 ( 0.000 1.232 -1.699) 2.099 17.287 ( 0.000 -2.581 -4.175) 4.908 17.390 ( 0.000 0.058 -1.930) 1.930 17.416 ( 0.000 0.402 -0.338) 0.526 18.636 ( 0.000 6.040 -1.084) 6.137 18.671 ( 0.000 0.433 -1.616) 1.673 18.834 ( 0.000 -8.276 1.946) 8.502 18.895 ( 0.000 -5.490 -1.591) 5.716 27.607 ( 0.000 1.722 -0.109) 1.725 27.612 ( 0.000 0.998 0.101) 1.004 27.709 ( 0.000 -1.309 1.185) 1.766 27.736 ( 0.000 -1.950 0.189) 1.959 29.228 ( 0.000 6.578 7.725) 10.146 29.398 ( 0.000 -0.507 3.333) 3.371 29.651 ( 0.000 10.795 -4.811) 11.819 29.711 ( 0.000 4.183 -4.532) 6.167 30.194 ( 0.000 3.184 2.157) 3.846 30.397 ( 0.000 -3.074 -4.007) 5.050 31.068 ( 0.000 8.528 -4.425) 9.608 31.450 ( 0.000 -7.268 -14.017) 15.789 32.703 ( 0.000 4.092 10.666) 11.425 32.780 ( 0.000 8.834 8.688) 12.390 33.109 ( 0.000 -9.271 15.016) 17.647 33.451 ( 0.000 -17.691 4.256) 18.195 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( 2.368 16.355 22.139) 27.627 4.437 ( 5.746 19.510 17.708) 26.967 4.641 ( -6.335 6.625 4.108) 10.045 4.911 ( -5.392 -1.495 15.380) 16.366 5.009 ( -4.619 6.517 4.854) 9.347 5.128 ( 5.378 6.490 2.297) 8.736 5.204 ( -3.925 10.246 1.549) 11.081 5.433 ( -0.847 8.958 -3.183) 9.544 5.498 ( 1.078 -7.780 7.109) 10.594 5.656 ( 5.074 -4.554 3.292) 7.571 5.873 ( -8.460 -1.916 9.482) 12.852 5.934 ( -5.015 -5.772 -1.089) 7.724 6.184 ( -2.318 2.031 2.219) 3.798 6.345 ( -3.268 -4.518 -0.147) 5.578 6.392 ( 6.406 6.334 -3.072) 9.518 6.551 ( -7.462 -3.799 -5.562) 10.053 6.654 ( 12.129 -4.802 1.704) 13.155 6.687 ( 6.122 -2.359 0.904) 6.622 6.960 ( 2.927 11.274 0.255) 11.650 7.135 ( 5.703 14.657 -6.494) 17.015 7.300 ( 5.734 0.361 -3.693) 6.830 7.500 ( 2.791 4.259 0.841) 5.162 7.583 ( -7.649 11.182 -1.871) 13.676 7.630 ( -5.268 10.723 3.146) 12.354 7.782 ( -6.436 3.431 -4.191) 8.412 8.016 ( -2.416 0.464 -2.568) 3.556 8.110 ( -2.850 6.471 -10.193) 12.406 8.333 ( -0.368 0.049 -10.589) 10.595 8.466 ( -6.237 -8.099 -4.145) 11.030 8.503 ( 1.213 -2.347 -1.183) 2.894 8.604 ( -8.217 -4.233 -9.637) 13.353 8.632 ( 2.770 0.962 -3.447) 4.526 9.291 ( 14.719 9.383 0.786) 17.473 9.495 ( 11.807 1.312 -7.419) 14.006 9.735 ( 6.919 2.959 -2.639) 7.975 9.794 ( -1.438 -7.780 0.103) 7.912 9.868 ( 4.193 -5.806 -4.702) 8.567 10.002 ( 3.319 -7.765 -2.972) 8.952 10.305 ( 10.034 0.489 -2.496) 10.352 10.374 ( -1.481 0.109 -1.382) 2.028 10.892 ( -0.464 -14.670 -0.718) 14.695 10.901 ( -0.218 -9.528 -0.704) 9.556 11.390 ( -14.527 -0.604 -1.224) 14.591 11.511 ( -16.000 -7.076 -4.173) 17.986 12.894 ( 0.288 6.029 -0.344) 6.046 13.003 ( 1.005 9.816 -2.600) 10.204 13.103 ( 2.968 -1.201 -0.106) 3.204 13.410 ( 4.108 -0.137 -4.183) 5.864 13.617 ( -7.479 -2.622 4.171) 8.955 13.782 ( -2.752 -1.283 -2.092) 3.687 13.897 ( -3.026 -5.515 -1.658) 6.505 13.977 ( -1.679 -5.346 -3.043) 6.377 14.333 ( 5.947 1.418 5.386) 8.148 14.382 ( 5.558 2.753 4.243) 7.515 14.687 ( 0.159 -11.430 5.746) 12.795 14.749 ( -0.494 -11.357 3.707) 11.957 16.089 ( 3.357 14.526 3.372) 15.285 16.355 ( -1.940 10.622 -5.108) 11.945 16.687 ( -0.821 -7.842 0.974) 7.945 16.760 ( -0.649 -4.642 -1.757) 5.006 17.192 ( 2.077 1.193 -1.520) 2.837 17.292 ( 0.585 -1.910 -3.395) 3.939 17.373 ( -1.707 -0.125 -2.023) 2.650 17.402 ( -1.379 0.110 -0.792) 1.594 18.633 ( -0.314 5.736 -1.015) 5.833 18.658 ( -1.107 1.282 -1.259) 2.111 18.841 ( 0.681 -7.914 1.310) 8.050 18.890 ( -0.496 -5.700 -1.396) 5.889 27.611 ( 0.296 1.795 -0.035) 1.820 27.614 ( 0.216 1.213 0.133) 1.240 27.708 ( -0.077 -1.511 1.041) 1.837 27.730 ( -0.550 -1.994 0.231) 2.081 29.256 ( 2.712 7.288 7.504) 10.807 29.437 ( 3.644 -0.429 3.100) 4.803 29.567 ( -6.122 10.273 -0.686) 11.979 29.706 ( -2.102 2.996 -3.798) 5.274 30.281 ( 8.429 4.478 -0.119) 9.545 30.508 ( 10.473 -3.667 -6.283) 12.752 30.981 ( -8.431 8.049 -4.407) 12.462 31.348 ( -9.946 -7.227 -13.594) 18.328 32.705 ( 0.566 5.999 11.188) 12.708 32.785 ( -0.095 9.557 8.811) 12.999 33.154 ( 4.233 -11.537 13.333) 18.133 33.427 ( -2.355 -17.413 4.997) 18.268 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.257 ( 9.877 13.669 16.554) 23.631 4.484 ( -10.763 13.009 12.357) 20.923 4.601 ( 10.413 16.186 10.317) 21.837 4.782 ( -5.975 5.890 6.884) 10.853 4.903 ( -3.584 8.826 7.516) 12.134 4.984 ( -12.031 1.163 1.379) 12.165 5.284 ( 7.254 9.304 -1.059) 11.845 5.393 ( -3.583 10.566 -3.011) 11.556 5.590 ( 5.650 -9.975 9.840) 15.108 5.688 ( -3.860 -9.697 7.302) 12.737 5.798 ( 3.205 -4.661 7.458) 9.360 5.877 ( -2.959 -6.937 5.435) 9.296 6.206 ( 5.580 -0.791 -1.528) 5.839 6.314 ( 0.410 -4.161 3.932) 5.739 6.363 ( -7.978 -0.642 -6.208) 10.129 6.401 ( -6.014 -4.341 -3.351) 8.138 6.838 ( 10.318 7.370 1.994) 12.835 6.929 ( 6.082 9.192 -0.416) 11.030 7.053 ( 8.119 3.490 5.218) 10.263 7.218 ( -0.880 4.569 -2.933) 5.500 7.358 ( 0.695 9.129 -3.916) 9.957 7.428 ( -3.386 14.461 -6.529) 16.224 7.522 ( -2.301 9.187 3.425) 10.071 7.564 ( -3.575 6.108 -1.241) 7.186 7.753 ( 5.935 -0.107 -3.996) 7.156 7.901 ( -7.238 -0.079 -3.910) 8.227 8.076 ( -0.329 0.716 -8.119) 8.157 8.174 ( -10.915 -5.035 -8.302) 14.609 8.430 ( 3.024 2.913 -6.009) 7.330 8.495 ( -2.891 3.614 -3.514) 5.810 8.575 ( 3.060 -2.062 -6.889) 7.815 8.635 ( -2.121 2.458 -5.192) 6.123 9.568 ( 9.790 4.277 -0.546) 10.698 9.623 ( 3.216 1.815 -3.728) 5.247 9.745 ( -2.434 -6.488 0.452) 6.944 9.754 ( -2.311 -7.779 -1.104) 8.190 10.065 ( 7.680 -1.467 0.032) 7.819 10.164 ( 3.195 -1.980 -3.706) 5.279 10.408 ( 16.687 -3.288 -1.083) 17.042 10.622 ( 19.650 0.030 -7.168) 20.917 10.815 ( -11.180 -14.462 0.371) 18.283 10.916 ( 0.995 -9.465 -0.582) 9.535 11.028 ( -16.924 -0.645 -2.619) 17.138 11.122 ( -20.254 -8.107 -6.669) 22.813 12.919 ( 2.062 7.579 -1.927) 8.087 12.969 ( -2.793 9.424 -4.206) 10.692 13.234 ( 8.559 -5.351 2.543) 10.409 13.406 ( -7.662 -10.099 -0.279) 12.680 13.556 ( 4.544 7.901 -0.887) 9.158 13.676 ( -6.561 3.528 -2.985) 8.025 13.892 ( 1.493 -3.256 -1.420) 3.853 13.933 ( -2.434 -3.271 -2.415) 4.738 14.438 ( 3.972 -2.909 5.114) 7.099 14.465 ( 1.708 -3.259 4.484) 5.800 14.698 ( 1.206 -9.708 4.934) 10.957 14.730 ( -1.512 -10.503 3.862) 11.292 16.179 ( 5.466 14.025 1.692) 15.148 16.287 ( -4.889 12.919 -1.658) 13.912 16.693 ( 1.422 -8.131 -0.044) 8.255 16.731 ( -2.043 -6.752 -1.438) 7.200 17.246 ( 3.168 1.157 -1.033) 3.527 17.299 ( -1.121 0.863 -0.700) 1.579 17.339 ( -0.293 -1.735 -3.376) 3.807 17.367 ( -2.010 -0.770 -1.954) 2.907 18.628 ( 0.012 4.786 -0.870) 4.865 18.637 ( -0.843 3.134 -0.870) 3.360 18.858 ( 0.955 -7.112 0.153) 7.178 18.876 ( -0.870 -6.285 -0.809) 6.397 27.617 ( 0.251 1.891 0.119) 1.912 27.618 ( 0.105 1.690 0.178) 1.703 27.708 ( 0.211 -1.930 0.695) 2.062 27.717 ( -0.636 -2.079 0.381) 2.207 29.332 ( 4.851 8.729 6.417) 11.870 29.441 ( -5.980 9.719 3.794) 12.026 29.531 ( 5.166 0.156 1.887) 5.502 29.633 ( -4.790 1.045 -0.477) 4.926 30.499 ( 12.913 5.919 -3.084) 14.536 30.762 ( -12.572 6.822 -3.935) 14.835 30.774 ( 15.142 -4.932 -10.149) 18.884 31.088 ( -15.448 -6.575 -12.307) 20.817 32.730 ( 1.831 8.610 10.983) 14.075 32.767 ( -1.638 9.938 9.919) 14.136 33.256 ( 5.628 -14.614 9.978) 18.569 33.359 ( -4.486 -16.475 7.022) 18.462 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.502 ( 0.000 -13.203 20.223) 24.152 4.502 ( 0.000 13.203 20.223) 24.152 4.770 ( 0.000 -2.001 5.444) 5.800 4.770 ( 0.000 2.001 5.444) 5.800 5.116 ( 0.000 -4.313 16.333) 16.893 5.116 ( 0.000 4.313 16.333) 16.893 5.371 ( 0.000 -8.830 0.623) 8.852 5.371 ( 0.000 8.830 0.623) 8.852 5.604 ( 0.000 -0.017 -1.255) 1.256 5.604 ( 0.000 0.017 -1.255) 1.256 6.061 ( 0.000 -0.149 1.700) 1.706 6.061 ( 0.000 0.149 1.700) 1.706 6.279 ( 0.000 -5.554 -13.597) 14.688 6.279 ( 0.000 5.554 -13.597) 14.688 6.331 ( 0.000 -0.581 14.095) 14.107 6.331 ( 0.000 0.581 14.095) 14.107 6.598 ( 0.000 -0.888 -3.768) 3.871 6.598 ( 0.000 0.888 -3.768) 3.871 7.123 ( 0.000 -5.321 -3.821) 6.551 7.123 ( 0.000 5.321 -3.821) 6.551 7.354 ( 0.000 -11.370 -0.064) 11.370 7.354 ( 0.000 11.370 -0.064) 11.370 7.883 ( 0.000 -6.648 1.628) 6.845 7.883 ( 0.000 6.648 1.628) 6.845 8.023 ( 0.000 -11.122 -4.685) 12.069 8.023 ( 0.000 11.122 -4.685) 12.069 8.217 ( 0.000 -0.270 -10.005) 10.008 8.217 ( 0.000 0.270 -10.005) 10.008 8.437 ( 0.000 -5.793 -8.937) 10.650 8.437 ( 0.000 5.793 -8.937) 10.650 8.557 ( 0.000 -5.398 -1.721) 5.666 8.557 ( 0.000 5.398 -1.721) 5.666 9.305 ( 0.000 -2.756 -4.762) 5.502 9.305 ( 0.000 2.756 -4.762) 5.502 9.712 ( 0.000 -3.037 -1.628) 3.446 9.712 ( 0.000 3.037 -1.628) 3.446 9.857 ( 0.000 -6.331 -6.554) 9.112 9.857 ( 0.000 6.331 -6.554) 9.112 10.361 ( 0.000 -8.344 2.344) 8.667 10.361 ( 0.000 8.344 2.344) 8.667 10.710 ( 0.000 -4.288 -0.989) 4.400 10.710 ( 0.000 4.288 -0.989) 4.400 11.561 ( 0.000 -3.195 -1.083) 3.373 11.561 ( 0.000 3.195 -1.083) 3.373 12.972 ( 0.000 -1.679 3.080) 3.508 12.972 ( 0.000 1.679 3.080) 3.508 13.300 ( 0.000 -9.006 -9.275) 12.928 13.300 ( 0.000 9.006 -9.275) 12.928 13.675 ( 0.000 -0.841 3.845) 3.935 13.675 ( 0.000 0.841 3.845) 3.935 13.880 ( 0.000 -0.077 -4.131) 4.131 13.880 ( 0.000 0.077 -4.131) 4.131 14.443 ( 0.000 -10.200 6.303) 11.990 14.443 ( 0.000 10.200 6.303) 11.990 14.515 ( 0.000 -10.633 3.774) 11.283 14.515 ( 0.000 10.633 3.774) 11.283 16.356 ( 0.000 -11.630 2.409) 11.877 16.356 ( 0.000 11.630 2.409) 11.877 16.663 ( 0.000 -5.012 -2.893) 5.787 16.663 ( 0.000 5.012 -2.893) 5.787 17.220 ( 0.000 -3.142 -4.197) 5.243 17.220 ( 0.000 3.142 -4.197) 5.243 17.409 ( 0.000 -0.996 -0.266) 1.031 17.409 ( 0.000 0.996 -0.266) 1.031 18.707 ( 0.000 -3.138 0.693) 3.214 18.707 ( 0.000 3.138 0.693) 3.214 18.771 ( 0.000 -5.837 -2.041) 6.184 18.771 ( 0.000 5.837 -2.041) 6.184 27.631 ( 0.000 -0.180 -0.014) 0.180 27.631 ( 0.000 0.180 -0.014) 0.180 27.699 ( 0.000 -0.950 0.598) 1.123 27.699 ( 0.000 0.950 0.598) 1.123 29.345 ( 0.000 -4.225 6.484) 7.739 29.345 ( 0.000 4.225 6.484) 7.739 29.759 ( 0.000 -0.356 -3.859) 3.875 29.759 ( 0.000 0.356 -3.859) 3.875 30.300 ( 0.000 -5.697 -1.696) 5.944 30.300 ( 0.000 5.697 -1.696) 5.944 31.267 ( 0.000 -9.577 -10.853) 14.474 31.267 ( 0.000 9.577 -10.853) 14.474 32.828 ( 0.000 -6.330 12.129) 13.682 32.828 ( 0.000 6.330 12.129) 13.682 33.116 ( 0.000 -12.351 8.334) 14.900 33.116 ( 0.000 12.351 8.334) 14.900 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( -0.880 -12.613 13.203) 18.281 4.465 ( -0.880 12.613 13.203) 18.281 4.842 ( 3.039 -8.930 9.510) 13.395 4.842 ( 3.039 8.930 9.510) 13.395 5.077 ( -2.087 -5.756 15.467) 16.635 5.077 ( -2.087 5.756 15.467) 16.635 5.433 ( 3.274 -4.068 0.502) 5.246 5.433 ( 3.274 4.068 0.502) 5.246 5.568 ( -3.168 -3.770 -0.004) 4.924 5.568 ( -3.168 3.770 -0.004) 4.924 5.842 ( -11.293 -1.834 0.751) 11.466 5.842 ( -11.293 1.834 0.751) 11.466 6.253 ( -3.795 -3.895 1.046) 5.538 6.253 ( -3.795 3.895 1.046) 5.538 6.460 ( 1.413 -3.817 0.005) 4.070 6.460 ( 1.413 3.817 0.005) 4.070 6.644 ( 10.835 -1.950 -0.687) 11.031 6.644 ( 10.835 1.950 -0.687) 11.031 7.180 ( 3.968 -8.196 -2.479) 9.438 7.180 ( 3.968 8.196 -2.479) 9.438 7.427 ( 6.677 -9.538 -2.607) 11.931 7.427 ( 6.677 9.538 -2.607) 11.931 7.755 ( -9.381 -4.685 1.017) 10.535 7.755 ( -9.381 4.685 1.017) 10.535 7.999 ( -3.153 -14.935 -4.466) 15.904 7.999 ( -3.153 14.935 -4.466) 15.904 8.167 ( -6.779 -10.911 -9.342) 15.883 8.167 ( -6.779 10.911 -9.342) 15.883 8.422 ( 1.316 -1.874 -8.975) 9.262 8.422 ( 1.316 1.874 -8.975) 9.262 8.595 ( 2.156 -2.179 -1.281) 3.323 8.595 ( 2.156 2.179 -1.281) 3.323 9.500 ( 14.494 -6.638 -2.905) 16.204 9.500 ( 14.494 6.638 -2.905) 16.204 9.706 ( -0.651 -4.893 -2.389) 5.484 9.706 ( -0.651 4.893 -2.389) 5.484 9.851 ( 3.123 -5.523 -5.899) 8.664 9.851 ( 3.123 5.523 -5.899) 8.664 10.433 ( 6.006 -8.396 2.118) 10.538 10.433 ( 6.006 8.396 2.118) 10.538 10.679 ( -2.830 -6.211 -1.865) 7.076 10.679 ( -2.830 6.211 -1.865) 7.076 11.408 ( -14.753 -2.593 -1.516) 15.056 11.408 ( -14.753 2.593 -1.516) 15.056 13.005 ( 3.103 -4.394 2.095) 5.773 13.005 ( 3.103 4.394 2.095) 5.773 13.264 ( -3.426 -10.664 -7.194) 13.312 13.264 ( -3.426 10.664 -7.194) 13.312 13.696 ( 1.892 -7.165 1.875) 7.644 13.696 ( 1.892 7.165 1.875) 7.644 13.857 ( -2.211 -3.975 -3.958) 6.029 13.857 ( -2.211 3.975 -3.958) 6.029 14.464 ( 1.939 -9.176 6.087) 11.181 14.464 ( 1.939 9.176 6.087) 11.181 14.524 ( 0.686 -9.404 4.044) 10.260 14.524 ( 0.686 9.404 4.044) 10.260 16.384 ( 2.721 -11.216 1.981) 11.710 16.384 ( 2.721 11.216 1.981) 11.710 16.633 ( -2.981 -6.147 -2.361) 7.228 16.633 ( -2.981 6.147 -2.361) 7.228 17.236 ( 1.657 -2.747 -3.624) 4.840 17.236 ( 1.657 2.747 -3.624) 4.840 17.390 ( -1.806 -1.085 -0.542) 2.176 17.390 ( -1.806 1.085 -0.542) 2.176 18.711 ( 0.463 -3.862 0.424) 3.913 18.711 ( 0.463 3.862 0.424) 3.913 18.764 ( -0.735 -5.875 -1.790) 6.186 18.764 ( -0.735 5.875 -1.790) 6.186 27.637 ( 0.616 -0.246 0.048) 0.665 27.637 ( 0.616 0.246 0.048) 0.665 27.692 ( -0.654 -0.865 0.540) 1.211 27.692 ( -0.654 0.865 0.540) 1.211 29.382 ( 3.618 -4.475 6.299) 8.532 29.382 ( 3.618 4.475 6.299) 8.532 29.705 ( -4.787 -3.150 -1.154) 5.845 29.705 ( -4.787 3.150 -1.154) 5.845 30.403 ( 9.563 -6.037 -4.279) 12.092 30.403 ( 9.563 6.037 -4.279) 12.092 31.170 ( -9.339 -9.157 -10.502) 16.774 31.170 ( -9.339 9.157 -10.502) 16.774 32.867 ( 3.542 -7.726 11.562) 14.349 32.867 ( 3.542 7.726 11.562) 14.349 33.095 ( -2.098 -12.165 8.606) 15.048 33.095 ( -2.098 12.165 8.606) 15.048 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( 8.141 -11.066 7.246) 15.532 4.534 ( 8.141 11.066 7.246) 15.532 4.747 ( -11.109 -8.736 6.861) 15.709 4.747 ( -11.109 8.736 6.861) 15.709 5.134 ( 7.066 -15.610 14.678) 22.562 5.134 ( 7.066 15.610 14.678) 22.562 5.309 ( -10.384 -14.745 8.149) 19.790 5.309 ( -10.384 14.745 8.149) 19.790 5.636 ( 6.202 -4.093 -0.106) 7.431 5.636 ( 6.202 4.093 -0.106) 7.431 5.723 ( -3.193 -3.720 0.548) 4.933 5.723 ( -3.193 3.720 0.548) 4.933 6.226 ( 2.303 -3.019 1.159) 3.971 6.226 ( 2.303 3.019 1.159) 3.971 6.346 ( -8.339 -1.021 -1.508) 8.535 6.346 ( -8.339 1.021 -1.508) 8.535 6.963 ( 16.629 -3.057 2.106) 17.038 6.963 ( 16.629 3.057 2.106) 17.038 7.196 ( -4.956 -5.553 1.104) 7.524 7.196 ( -4.956 5.553 1.104) 7.524 7.550 ( 4.398 -6.908 -4.492) 9.340 7.550 ( 4.398 6.908 -4.492) 9.340 7.617 ( -3.391 -3.218 -2.207) 5.170 7.617 ( -3.391 3.218 -2.207) 5.170 7.931 ( -1.985 -13.041 -4.763) 14.025 7.931 ( -1.985 13.041 -4.763) 14.025 7.992 ( -7.981 -9.999 -7.754) 14.960 7.992 ( -7.981 9.999 -7.754) 14.960 8.503 ( 5.439 -3.868 -7.047) 9.706 8.503 ( 5.439 3.868 -7.047) 9.706 8.592 ( -2.758 -4.850 -4.215) 6.992 8.592 ( -2.758 4.850 -4.215) 6.992 9.640 ( 1.853 -3.615 -0.895) 4.160 9.640 ( 1.853 3.615 -0.895) 4.160 9.674 ( -2.085 -1.591 -1.955) 3.271 9.674 ( -2.085 1.591 -1.955) 3.271 10.145 ( 21.319 -6.084 -3.388) 22.427 10.145 ( 21.319 6.084 -3.388) 22.427 10.460 ( -8.106 -13.533 1.514) 15.847 10.460 ( -8.106 13.533 1.514) 15.847 10.707 ( 10.182 -7.912 -3.632) 13.396 10.707 ( 10.182 7.912 -3.632) 13.396 11.036 ( -20.650 -1.408 -2.852) 20.893 11.036 ( -20.650 1.408 -2.852) 20.893 13.084 ( 4.614 -7.904 -0.291) 9.157 13.084 ( 4.614 7.904 -0.291) 9.157 13.179 ( -4.819 -10.467 -3.517) 12.048 13.179 ( -4.819 10.467 -3.517) 12.048 13.744 ( 2.827 -8.626 -1.196) 9.156 13.744 ( 2.827 8.626 -1.196) 9.156 13.803 ( -3.040 -7.020 -3.144) 8.271 13.803 ( -3.040 7.020 -3.144) 8.271 14.506 ( 1.914 -7.360 5.480) 9.373 14.506 ( 1.914 7.360 5.480) 9.373 14.530 ( -0.377 -7.376 4.701) 8.755 14.530 ( -0.377 7.376 4.701) 8.754 16.458 ( 4.588 -10.024 0.749) 11.049 16.458 ( 4.588 10.024 0.749) 11.049 16.554 ( -4.748 -8.217 -0.939) 9.537 16.554 ( -4.748 8.217 -0.939) 9.537 17.282 ( 2.860 -2.003 -2.415) 4.246 17.282 ( 2.860 2.003 -2.415) 4.246 17.342 ( -2.953 -1.407 -1.295) 3.518 17.342 ( -2.953 1.407 -1.295) 3.518 18.725 ( 0.909 -5.039 -0.276) 5.127 18.725 ( 0.909 5.039 -0.276) 5.127 18.745 ( -1.071 -5.732 -1.123) 5.938 18.745 ( -1.071 5.732 -1.123) 5.938 27.654 ( 1.023 -0.420 0.204) 1.124 27.654 ( 1.023 0.420 0.204) 1.124 27.675 ( -1.045 -0.654 0.389) 1.293 27.675 ( -1.045 0.654 0.389) 1.293 29.477 ( 5.671 -4.796 5.276) 9.111 29.477 ( 5.671 4.796 5.276) 9.111 29.595 ( -6.043 -4.526 2.753) 8.036 29.595 ( -6.043 4.526 2.753) 8.036 30.643 ( 14.040 -6.937 -7.697) 17.449 30.643 ( 14.040 6.937 -7.697) 17.449 30.929 ( -14.162 -8.131 -9.596) 18.941 30.929 ( -14.162 8.131 -9.596) 18.941 32.951 ( 4.599 -9.936 10.428) 15.120 32.951 ( 4.599 9.936 10.428) 15.120 33.036 ( -3.799 -11.450 9.357) 15.267 33.036 ( -3.799 11.450 9.357) 15.267 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 0.000 0.000 21.634) 21.634 3.777 ( 0.000 0.000 -10.018) 10.018 4.199 ( 0.000 0.000 34.498) 34.498 4.492 ( 0.000 0.000 4.803) 4.803 4.589 ( 0.000 0.000 -5.395) 5.395 4.771 ( 0.000 0.000 -21.044) 21.044 5.132 ( 0.000 0.000 3.943) 3.943 5.190 ( 0.000 0.000 -1.605) 1.605 5.452 ( 0.000 0.000 -0.339) 0.339 5.484 ( 0.000 0.000 -4.226) 4.226 5.666 ( 0.000 0.000 14.850) 14.850 6.029 ( 0.000 0.000 -18.307) 18.307 6.181 ( 0.000 0.000 2.557) 2.557 6.268 ( 0.000 0.000 -5.345) 5.345 6.354 ( 0.000 0.000 2.258) 2.258 6.438 ( 0.000 0.000 -5.373) 5.373 6.777 ( 0.000 0.000 2.926) 2.926 6.818 ( 0.000 0.000 -1.268) 1.268 6.874 ( 0.000 0.000 21.829) 21.829 7.078 ( 0.000 0.000 4.479) 4.479 7.136 ( 0.000 0.000 -5.677) 5.677 7.176 ( 0.000 0.000 -4.596) 4.596 7.209 ( 0.000 0.000 -0.082) 0.082 7.276 ( 0.000 0.000 -5.932) 5.932 7.549 ( 0.000 0.000 6.874) 6.874 7.708 ( 0.000 0.000 -9.286) 9.286 8.014 ( 0.000 0.000 6.655) 6.655 8.107 ( 0.000 0.000 -1.874) 1.874 8.277 ( 0.000 0.000 -0.688) 0.688 8.306 ( 0.000 0.000 -2.731) 2.731 8.888 ( 0.000 0.000 2.648) 2.648 9.000 ( 0.000 0.000 -7.463) 7.463 9.131 ( 0.000 0.000 2.229) 2.229 9.221 ( 0.000 0.000 -5.751) 5.751 9.590 ( 0.000 0.000 -0.059) 0.059 9.665 ( 0.000 0.000 -7.160) 7.160 10.136 ( 0.000 0.000 2.518) 2.518 10.194 ( 0.000 0.000 -3.485) 3.485 10.822 ( 0.000 0.000 2.194) 2.194 10.882 ( 0.000 0.000 -3.832) 3.832 10.961 ( 0.000 0.000 15.003) 15.003 11.245 ( 0.000 0.000 -13.923) 13.923 11.540 ( 0.000 0.000 3.277) 3.277 11.693 ( 0.000 0.000 -11.962) 11.962 12.510 ( 0.000 0.000 0.974) 0.974 12.530 ( 0.000 0.000 -1.162) 1.162 13.293 ( 0.000 0.000 2.586) 2.586 13.307 ( 0.000 0.000 0.885) 0.885 13.961 ( 0.000 0.000 6.482) 6.482 13.977 ( 0.000 0.000 4.667) 4.667 14.029 ( 0.000 0.000 -0.777) 0.777 14.046 ( 0.000 0.000 -1.736) 1.736 14.361 ( 0.000 0.000 4.454) 4.454 14.446 ( 0.000 0.000 -4.393) 4.393 15.396 ( 0.000 0.000 6.435) 6.435 15.520 ( 0.000 0.000 -6.787) 6.787 15.580 ( 0.000 0.000 0.185) 0.185 15.608 ( 0.000 0.000 -2.819) 2.819 16.765 ( 0.000 0.000 1.688) 1.688 16.808 ( 0.000 0.000 -2.514) 2.514 17.315 ( 0.000 0.000 1.544) 1.544 17.337 ( 0.000 0.000 -0.764) 0.764 17.344 ( 0.000 0.000 0.443) 0.443 17.378 ( 0.000 0.000 -3.473) 3.473 18.447 ( 0.000 0.000 4.298) 4.298 18.551 ( 0.000 0.000 -6.165) 6.165 19.199 ( 0.000 0.000 6.165) 6.165 19.325 ( 0.000 0.000 -6.513) 6.513 27.604 ( 0.000 0.000 0.401) 0.401 27.610 ( 0.000 0.000 -0.140) 0.140 27.791 ( 0.000 0.000 1.087) 1.087 27.805 ( 0.000 0.000 -0.376) 0.376 28.810 ( 0.000 0.000 8.727) 8.727 28.988 ( 0.000 0.000 -9.498) 9.498 29.126 ( 0.000 0.000 9.520) 9.520 29.313 ( 0.000 0.000 -9.618) 9.618 30.274 ( 0.000 0.000 4.221) 4.221 30.357 ( 0.000 0.000 -4.340) 4.340 31.080 ( 0.000 0.000 13.737) 13.737 31.359 ( 0.000 0.000 -14.605) 14.605 32.670 ( 0.000 0.000 5.630) 5.630 32.728 ( 0.000 0.000 -0.613) 0.613 33.855 ( 0.000 0.000 13.778) 13.778 34.092 ( 0.000 0.000 -10.719) 10.719 ======================= Grid point 226 (77/90) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 4.673 0.000 19.449) 20.003 3.773 ( -0.748 0.000 -6.456) 6.499 4.226 ( 3.311 0.000 28.945) 29.134 4.494 ( 0.328 0.000 3.423) 3.438 4.577 ( -1.182 0.000 -5.008) 5.146 4.635 ( -8.770 0.000 -10.678) 13.818 5.078 ( -7.818 0.000 3.805) 8.695 5.132 ( -6.746 0.000 -2.513) 7.199 5.425 ( -2.039 0.000 -1.013) 2.277 5.461 ( -2.155 0.000 -4.887) 5.341 5.846 ( 15.471 0.000 3.722) 15.913 6.053 ( 4.104 0.000 -12.973) 13.607 6.198 ( 1.467 0.000 2.897) 3.247 6.266 ( -0.411 0.000 -2.786) 2.817 6.421 ( 6.577 0.000 0.795) 6.625 6.497 ( 5.809 0.000 -5.854) 8.247 6.805 ( 1.966 0.000 12.243) 12.400 6.858 ( 6.321 0.000 3.279) 7.121 6.966 ( 6.246 0.000 9.058) 11.002 6.990 ( -7.353 0.000 3.253) 8.040 7.075 ( -8.253 0.000 -5.473) 9.903 7.174 ( 3.704 0.000 -5.826) 6.904 7.249 ( 2.843 0.000 1.851) 3.392 7.317 ( 1.889 0.000 -4.570) 4.945 7.552 ( 0.426 0.000 4.570) 4.590 7.682 ( -2.380 0.000 -8.346) 8.678 7.749 ( -20.829 0.000 8.385) 22.453 7.876 ( -12.483 0.000 -4.166) 13.160 8.343 ( 3.090 0.000 2.629) 4.057 8.437 ( 2.501 0.000 -5.792) 6.309 8.671 ( -17.473 0.000 0.206) 17.474 8.728 ( -14.082 0.000 -5.679) 15.184 9.372 ( 20.153 0.000 4.599) 20.671 9.485 ( 15.618 0.000 -7.299) 17.239 9.800 ( 20.190 0.000 2.585) 20.355 9.903 ( 19.005 0.000 -7.922) 20.590 10.160 ( 2.205 0.000 2.307) 3.191 10.210 ( 1.348 0.000 -2.854) 3.156 10.816 ( -0.437 0.000 1.534) 1.595 10.868 ( -1.347 0.000 -3.602) 3.846 10.926 ( -3.591 0.000 13.923) 14.379 11.196 ( -5.239 0.000 -13.444) 14.429 11.412 ( -12.113 0.000 2.594) 12.388 11.557 ( -12.936 0.000 -11.537) 17.333 12.512 ( 0.267 0.000 0.781) 0.826 12.529 ( -0.110 0.000 -0.952) 0.959 13.299 ( 0.522 0.000 2.567) 2.619 13.311 ( 0.326 0.000 1.100) 1.148 13.759 ( -11.656 0.000 4.970) 12.671 13.849 ( -13.094 0.000 -4.026) 13.699 13.974 ( -0.181 0.000 4.073) 4.077 14.017 ( -1.095 0.000 -0.414) 1.170 14.628 ( 19.369 0.000 5.210) 20.058 14.701 ( 17.684 0.000 -2.248) 17.827 15.358 ( -3.960 0.000 6.145) 7.311 15.470 ( -5.170 0.000 -5.709) 7.702 15.585 ( 0.414 0.000 -0.076) 0.421 15.608 ( -0.109 0.000 -2.509) 2.511 16.774 ( 0.782 0.000 1.033) 1.296 16.810 ( 0.094 0.000 -2.480) 2.482 17.317 ( 0.221 0.000 1.321) 1.340 17.335 ( -0.193 0.000 -0.547) 0.580 17.341 ( -0.257 0.000 0.222) 0.340 17.369 ( -0.836 0.000 -3.038) 3.151 18.456 ( 0.904 0.000 3.616) 3.727 18.543 ( -0.780 0.000 -5.208) 5.266 19.188 ( -0.832 0.000 4.972) 5.041 19.290 ( -3.226 0.000 -5.181) 6.104 27.601 ( -0.258 0.000 0.357) 0.441 27.606 ( -0.328 0.000 -0.141) 0.357 27.793 ( 0.154 0.000 0.956) 0.968 27.804 ( -0.108 0.000 -0.237) 0.260 28.821 ( 1.079 0.000 8.016) 8.088 28.955 ( -2.674 0.000 -3.707) 4.571 29.160 ( 2.749 0.000 3.643) 4.564 29.302 ( -1.174 0.000 -8.819) 8.896 30.348 ( 7.386 0.000 5.719) 9.341 30.464 ( 10.187 0.000 -6.169) 11.909 31.003 ( -7.537 0.000 13.139) 15.147 31.272 ( -8.617 0.000 -14.266) 16.667 32.658 ( -1.049 0.000 5.202) 5.307 32.699 ( -2.449 0.000 0.828) 2.586 33.900 ( 4.030 0.000 10.863) 11.586 34.087 ( -0.697 0.000 -8.374) 8.402 ======================= Grid point 227 (78/90) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 6.152 0.000 12.930) 14.319 3.732 ( -3.736 0.000 2.895) 4.727 4.343 ( 8.136 0.000 18.369) 20.090 4.497 ( -6.392 0.000 3.918) 7.497 4.510 ( 1.375 0.000 -0.233) 1.394 4.545 ( -1.922 0.000 -3.523) 4.013 4.910 ( -5.141 0.000 -0.291) 5.149 4.957 ( -8.413 0.000 -4.612) 9.594 5.397 ( -0.343 0.000 -2.996) 3.016 5.415 ( -1.994 0.000 -4.792) 5.190 6.107 ( 8.553 0.000 -2.684) 8.964 6.160 ( 3.275 0.000 -7.258) 7.963 6.228 ( 1.406 0.000 2.051) 2.487 6.252 ( -0.980 0.000 0.055) 0.982 6.588 ( 9.420 0.000 0.036) 9.420 6.647 ( 7.819 0.000 -5.887) 9.787 6.824 ( -7.997 0.000 2.037) 8.253 6.888 ( -9.998 0.000 -4.659) 11.030 6.947 ( 12.397 0.000 17.108) 21.128 6.992 ( 6.507 0.000 4.847) 8.113 7.055 ( 1.550 0.000 5.480) 5.695 7.216 ( -6.276 0.000 -1.846) 6.542 7.299 ( 2.132 0.000 1.322) 2.508 7.328 ( -0.645 0.000 -1.061) 1.242 7.436 ( -3.138 0.000 7.178) 7.834 7.575 ( 1.997 0.000 -0.980) 2.225 7.611 ( -13.872 0.000 -7.629) 15.831 7.626 ( -2.976 0.000 -5.618) 6.358 8.316 ( -4.205 0.000 -2.473) 4.878 8.348 ( -7.164 0.000 -4.672) 8.553 8.499 ( 0.115 0.000 0.785) 0.794 8.543 ( -4.293 0.000 -3.043) 5.262 9.704 ( 10.664 0.000 2.117) 10.872 9.744 ( 7.180 0.000 -1.744) 7.389 10.207 ( 2.142 0.000 1.247) 2.478 10.229 ( 0.100 0.000 -0.924) 0.929 10.260 ( 22.930 0.000 1.156) 22.959 10.327 ( 20.670 0.000 -5.413) 21.367 10.805 ( -8.289 0.000 9.415) 12.544 10.814 ( 0.437 0.000 -0.409) 0.598 10.836 ( -1.612 0.000 -2.546) 3.013 10.962 ( -19.470 0.000 -4.149) 19.908 11.204 ( -4.274 0.000 -6.215) 7.543 11.275 ( -11.518 0.000 -10.573) 15.635 12.519 ( 0.358 0.000 0.260) 0.443 12.525 ( -0.261 0.000 -0.406) 0.482 13.310 ( 0.524 0.000 2.317) 2.376 13.315 ( 0.014 0.000 1.701) 1.701 13.611 ( -2.802 0.000 1.174) 3.038 13.648 ( -6.368 0.000 -2.539) 6.856 13.976 ( 0.423 0.000 2.511) 2.546 13.993 ( -1.224 0.000 0.743) 1.432 14.988 ( 15.677 0.000 4.125) 16.211 15.036 ( 15.756 0.000 -0.771) 15.775 15.232 ( -8.934 0.000 5.173) 10.324 15.310 ( -11.094 0.000 -2.889) 11.464 15.595 ( 0.520 0.000 -0.788) 0.944 15.603 ( -0.333 0.000 -1.718) 1.750 16.793 ( 0.997 0.000 -0.580) 1.153 16.807 ( -0.415 0.000 -1.990) 2.033 17.323 ( 0.344 0.000 0.740) 0.816 17.330 ( -0.327 0.000 0.026) 0.328 17.339 ( 0.181 0.000 -0.549) 0.578 17.350 ( -0.906 0.000 -1.857) 2.066 18.483 ( 1.779 0.000 1.304) 2.206 18.519 ( -1.661 0.000 -2.302) 2.839 19.182 ( 0.630 0.000 1.829) 1.934 19.221 ( -3.163 0.000 -1.993) 3.739 27.597 ( -0.068 0.000 0.182) 0.195 27.599 ( -0.279 0.000 -0.038) 0.282 27.797 ( 0.233 0.000 0.594) 0.637 27.801 ( -0.206 0.000 0.133) 0.246 28.852 ( 2.049 0.000 5.866) 6.213 28.900 ( -2.739 0.000 2.145) 3.479 29.217 ( 2.870 0.000 -2.437) 3.765 29.268 ( -2.193 0.000 -6.439) 6.803 30.548 ( 12.238 0.000 8.592) 14.952 30.724 ( 14.408 0.000 -8.854) 16.911 30.803 ( -11.214 0.000 10.523) 15.378 31.036 ( -14.665 0.000 -12.682) 19.388 32.642 ( -0.272 0.000 4.293) 4.302 32.655 ( -1.624 0.000 2.957) 3.373 33.988 ( 4.354 0.000 4.469) 6.239 34.057 ( -2.470 0.000 -2.580) 3.572 ======================= Grid point 230 (79/90) ======================= q-point: ( 0.00 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 0.000 20.161 19.555) 28.086 3.970 ( 0.000 16.683 -7.232) 18.183 4.231 ( 0.000 4.260 28.938) 29.250 4.547 ( 0.000 5.187 -0.944) 5.272 4.751 ( 0.000 13.445 -2.295) 13.639 4.884 ( 0.000 9.661 -13.813) 16.856 5.112 ( 0.000 -1.520 3.384) 3.710 5.168 ( 0.000 -1.671 -2.128) 2.706 5.575 ( 0.000 8.629 2.552) 8.999 5.623 ( 0.000 12.327 -4.097) 12.990 5.664 ( 0.000 1.871 11.033) 11.190 5.978 ( 0.000 -4.682 -15.462) 16.155 6.226 ( 0.000 1.025 2.558) 2.755 6.283 ( 0.000 -5.567 -0.199) 5.570 6.354 ( 0.000 6.901 -3.643) 7.804 6.389 ( 0.000 -0.653 -2.893) 2.966 6.698 ( 0.000 -5.271 7.057) 8.808 6.806 ( 0.000 -1.881 -3.932) 4.358 6.890 ( 0.000 -0.178 12.233) 12.234 7.007 ( 0.000 -8.358 -0.436) 8.369 7.214 ( 0.000 2.064 -0.028) 2.065 7.217 ( 0.000 9.903 2.461) 10.204 7.266 ( 0.000 1.434 -4.100) 4.344 7.277 ( 0.000 7.018 -2.021) 7.304 7.623 ( 0.000 4.077 4.278) 5.910 7.735 ( 0.000 1.668 -7.415) 7.600 8.114 ( 0.000 9.504 3.943) 10.289 8.169 ( 0.000 5.460 -0.856) 5.527 8.259 ( 0.000 -1.309 -1.792) 2.219 8.277 ( 0.000 -2.752 -2.700) 3.855 8.852 ( 0.000 -3.516 2.218) 4.158 8.958 ( 0.000 -3.923 -7.393) 8.369 9.103 ( 0.000 -2.245 1.768) 2.857 9.179 ( 0.000 -3.236 -5.014) 5.967 9.556 ( 0.000 -2.415 1.038) 2.629 9.646 ( 0.000 -1.185 -7.806) 7.896 10.119 ( 0.000 -2.167 2.201) 3.088 10.175 ( 0.000 -2.347 -3.419) 4.147 10.690 ( 0.000 -10.502 7.379) 12.835 10.791 ( 0.000 -8.510 -3.973) 9.392 10.996 ( 0.000 1.629 7.505) 7.680 11.190 ( 0.000 -4.512 -11.341) 12.206 11.555 ( 0.000 1.003 3.029) 3.191 11.693 ( 0.000 -0.231 -10.869) 10.872 12.570 ( 0.000 5.468 0.583) 5.499 12.586 ( 0.000 5.046 -1.126) 5.170 13.256 ( 0.000 -2.861 3.862) 4.807 13.297 ( 0.000 -0.707 -0.407) 0.815 13.930 ( 0.000 -3.384 4.577) 5.692 13.989 ( 0.000 -3.509 -1.377) 3.769 14.029 ( 0.000 4.960 4.878) 6.956 14.091 ( 0.000 3.808 -1.134) 3.973 14.340 ( 0.000 -2.675 3.186) 4.160 14.397 ( 0.000 -5.074 -3.068) 5.929 15.279 ( 0.000 -9.358 3.096) 9.857 15.312 ( 0.000 -12.347 -0.679) 12.366 15.676 ( 0.000 5.736 1.390) 5.902 15.747 ( 0.000 9.284 -5.727) 10.908 16.779 ( 0.000 1.033 1.465) 1.793 16.816 ( 0.000 0.523 -2.238) 2.298 17.272 ( 0.000 -3.057 2.111) 3.715 17.317 ( 0.000 -1.845 -2.120) 2.810 17.362 ( 0.000 0.945 -0.201) 0.966 17.372 ( 0.000 -0.424 -2.042) 2.085 18.473 ( 0.000 2.356 3.771) 4.446 18.565 ( 0.000 1.249 -5.462) 5.603 19.147 ( 0.000 -4.580 4.760) 6.606 19.243 ( 0.000 -7.216 -4.689) 8.605 27.593 ( 0.000 -0.727 0.507) 0.886 27.602 ( 0.000 -0.571 -0.294) 0.642 27.783 ( 0.000 -0.784 1.022) 1.288 27.796 ( 0.000 -0.849 -0.368) 0.925 28.938 ( 0.000 10.963 6.939) 12.975 29.084 ( 0.000 8.383 -7.946) 11.550 29.188 ( 0.000 5.684 8.781) 10.461 29.361 ( 0.000 4.257 -8.846) 9.817 30.266 ( 0.000 -0.697 4.299) 4.355 30.352 ( 0.000 -0.482 -4.531) 4.557 31.072 ( 0.000 -0.705 12.863) 12.882 31.342 ( 0.000 -1.626 -14.551) 14.642 32.687 ( 0.000 1.738 5.109) 5.396 32.731 ( 0.000 0.490 0.346) 0.600 33.783 ( 0.000 -6.545 13.140) 14.679 34.002 ( 0.000 -8.208 -9.380) 12.464 ======================= Grid point 231 (80/90) ======================= q-point: ( 0.20 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 4.014 19.611 17.699) 26.720 3.966 ( -0.656 16.755 -4.536) 17.370 4.243 ( 1.901 2.928 24.370) 24.619 4.521 ( -2.643 3.145 -3.486) 5.388 4.733 ( -1.735 12.268 -2.407) 12.622 4.757 ( -6.105 10.411 -3.623) 12.601 5.077 ( -7.394 0.143 3.842) 8.333 5.124 ( -6.074 -0.417 -2.257) 6.493 5.565 ( -1.479 12.124 -0.300) 12.218 5.609 ( -1.670 12.906 -4.546) 13.785 5.819 ( 14.679 -1.956 2.633) 15.041 5.994 ( 3.967 -5.140 -10.633) 12.459 6.249 ( 1.756 2.026 4.016) 4.829 6.335 ( 1.625 -1.779 4.323) 4.949 6.365 ( 4.060 1.626 -7.414) 8.608 6.424 ( 3.506 -2.641 -3.278) 5.478 6.741 ( 2.637 -6.447 5.147) 8.661 6.806 ( 1.211 -1.310 1.376) 2.253 6.948 ( 2.345 -1.183 7.917) 8.341 7.050 ( 2.560 -6.166 0.951) 6.744 7.101 ( -4.353 2.250 1.266) 5.062 7.124 ( -3.606 5.581 -3.569) 7.542 7.301 ( 2.482 6.021 3.275) 7.289 7.382 ( 3.817 4.745 -4.261) 7.433 7.627 ( -0.431 4.683 2.160) 5.176 7.686 ( -6.402 1.760 -3.607) 7.556 7.868 ( -14.524 8.704 3.663) 17.324 7.968 ( -9.652 8.575 -5.248) 13.936 8.328 ( 2.709 -0.997 2.652) 3.920 8.420 ( 1.582 -1.273 -5.649) 6.003 8.647 ( -16.231 -2.138 0.032) 16.371 8.700 ( -11.921 -2.558 -5.437) 13.350 9.341 ( 18.999 -2.764 4.729) 19.773 9.454 ( 15.097 -2.866 -7.106) 16.930 9.749 ( 18.828 -3.721 2.857) 19.403 9.857 ( 18.121 -3.394 -8.157) 20.160 10.147 ( 2.760 -1.927 1.886) 3.859 10.195 ( 1.798 -1.911 -2.837) 3.864 10.646 ( -3.735 -12.035 7.156) 14.491 10.754 ( -3.199 -9.521 -4.462) 10.990 11.004 ( 0.222 2.853 6.162) 6.794 11.171 ( -2.393 -2.442 -10.163) 10.723 11.417 ( -13.244 0.190 2.337) 13.450 11.545 ( -14.210 -1.169 -10.330) 17.606 12.574 ( 0.380 5.514 0.343) 5.538 12.587 ( 0.057 5.136 -0.998) 5.232 13.277 ( 2.057 -1.610 3.528) 4.390 13.312 ( 1.397 0.263 -0.029) 1.422 13.799 ( -11.611 2.318 3.506) 12.348 13.864 ( -12.652 0.183 -3.132) 13.036 13.949 ( -0.860 -1.494 4.102) 4.450 13.996 ( -1.916 -1.106 -0.773) 2.344 14.592 ( 17.381 -3.794 3.880) 18.208 14.645 ( 16.516 -5.476 -1.584) 17.472 15.243 ( -3.706 -9.286 3.398) 10.560 15.285 ( -3.052 -11.590 -1.152) 12.041 15.684 ( 0.732 6.490 1.250) 6.650 15.742 ( -0.562 9.690 -4.505) 10.701 16.785 ( 0.565 0.794 0.919) 1.340 16.817 ( 0.003 0.430 -2.248) 2.289 17.278 ( 0.639 -2.752 1.839) 3.371 17.316 ( -0.022 -1.663 -1.678) 2.363 17.355 ( -0.649 0.648 -0.401) 1.000 17.362 ( -0.922 -0.493 -1.822) 2.101 18.479 ( 0.614 2.098 3.162) 3.844 18.556 ( -0.906 1.123 -4.580) 4.802 19.138 ( -0.719 -4.432 3.821) 5.896 19.215 ( -2.547 -6.577 -3.714) 7.971 27.592 ( -0.096 -0.588 0.425) 0.732 27.599 ( -0.240 -0.478 -0.239) 0.586 27.783 ( 0.074 -0.857 0.890) 1.237 27.794 ( -0.176 -0.910 -0.239) 0.958 28.946 ( 0.858 10.804 6.644) 12.712 29.057 ( -2.197 8.979 -2.451) 9.563 29.220 ( 2.595 5.388 3.088) 6.731 29.352 ( -0.953 4.491 -8.223) 9.418 30.338 ( 7.220 -0.870 5.648) 9.208 30.454 ( 9.824 -0.866 -6.278) 11.691 30.993 ( -7.685 -0.864 12.299) 14.529 31.253 ( -8.767 -1.793 -14.150) 16.742 32.677 ( -0.902 1.894 4.830) 5.266 32.708 ( -1.954 1.025 1.501) 2.669 33.825 ( 3.730 -6.856 10.459) 13.050 33.997 ( -0.617 -8.150 -7.243) 10.921 ======================= Grid point 232 (81/90) ======================= q-point: ( 0.40 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 5.440 18.444 11.991) 22.661 3.930 ( -3.329 17.452 3.119) 18.039 4.329 ( 6.652 0.726 15.019) 16.442 4.453 ( -4.548 0.647 1.655) 4.883 4.696 ( -0.574 12.011 1.086) 12.073 4.705 ( -1.300 12.337 -1.630) 12.512 4.908 ( -5.297 0.006 0.042) 5.297 4.955 ( -8.388 -0.079 -4.251) 9.404 5.548 ( 0.096 12.993 -2.030) 13.151 5.570 ( -1.908 13.243 -4.100) 13.994 6.070 ( 8.574 -2.548 -1.313) 9.041 6.118 ( 4.638 -3.316 -5.732) 8.085 6.272 ( 1.008 1.968 3.985) 4.557 6.315 ( -2.389 2.790 0.973) 3.799 6.501 ( 6.945 -7.255 -3.456) 10.621 6.525 ( 5.287 -7.978 -3.765) 10.285 6.736 ( -2.676 -4.236 2.322) 5.522 6.780 ( -6.196 -3.079 -2.283) 7.286 6.993 ( 8.717 1.344 12.346) 15.173 7.086 ( 4.201 1.246 0.973) 4.489 7.103 ( 0.949 3.918 5.176) 6.560 7.182 ( 2.597 -0.772 -2.069) 3.409 7.318 ( -0.973 2.516 5.325) 5.970 7.376 ( -7.247 0.332 4.766) 8.680 7.490 ( -1.820 10.662 -4.341) 11.655 7.578 ( -7.204 2.755 -7.294) 10.616 7.749 ( 0.719 11.182 1.113) 11.260 7.817 ( -5.354 11.955 -4.522) 13.857 8.285 ( -4.230 -2.860 -2.649) 5.752 8.320 ( -6.815 -2.502 -5.235) 8.950 8.505 ( 0.314 0.722 1.218) 1.450 8.547 ( -3.777 0.452 -2.643) 4.632 9.646 ( 9.706 -4.868 1.927) 11.028 9.687 ( 6.099 -4.867 -2.014) 8.059 10.128 ( 12.311 -6.336 3.822) 14.364 10.207 ( 1.805 -2.036 -1.234) 2.988 10.257 ( 9.036 -3.787 -1.954) 9.990 10.265 ( 14.789 -4.149 -4.362) 15.968 10.612 ( 5.030 -9.508 5.739) 12.191 10.724 ( 3.582 -8.090 -5.475) 10.405 10.941 ( -10.071 3.339 1.312) 10.691 10.969 ( -21.335 0.406 -1.279) 21.377 11.199 ( -3.401 -1.387 -4.928) 6.146 11.243 ( -10.385 -2.806 -8.633) 13.793 12.582 ( 0.365 5.494 -0.153) 5.508 12.587 ( -0.106 5.331 -0.646) 5.371 13.327 ( 2.396 1.570 2.610) 3.875 13.341 ( 1.033 2.463 1.222) 2.938 13.632 ( -4.252 1.151 0.604) 4.446 13.658 ( -6.821 0.118 -2.163) 7.157 13.945 ( 0.382 -2.253 2.387) 3.305 13.964 ( -1.396 -2.144 0.481) 2.603 14.904 ( 13.191 -8.088 3.439) 15.851 14.947 ( 12.873 -8.914 -0.880) 15.682 15.132 ( -7.223 -7.393 3.535) 10.924 15.180 ( -7.749 -9.006 -1.428) 11.967 15.703 ( 1.121 8.304 0.422) 8.390 15.725 ( -1.076 9.758 -1.749) 9.972 16.799 ( 0.838 0.378 -0.522) 1.057 16.813 ( -0.464 0.269 -1.834) 1.911 17.296 ( 1.158 -1.924 1.162) 2.529 17.315 ( -0.375 -1.239 -0.106) 1.299 17.340 ( -0.661 -0.575 -1.473) 1.713 17.343 ( -0.743 -0.292 -1.289) 1.516 18.499 ( 1.419 1.490 1.139) 2.352 18.531 ( -1.586 1.062 -1.994) 2.760 19.132 ( 0.409 -4.432 1.422) 4.672 19.161 ( -2.429 -5.262 -1.396) 5.961 27.591 ( 0.031 -0.368 0.204) 0.422 27.594 ( -0.231 -0.335 -0.059) 0.411 27.786 ( 0.176 -0.981 0.538) 1.133 27.790 ( -0.238 -1.002 0.105) 1.035 28.972 ( 1.700 10.424 5.383) 11.854 29.012 ( -2.271 9.834 2.578) 10.417 29.275 ( 2.750 5.105 -2.518) 6.322 29.323 ( -2.006 4.865 -6.167) 8.107 30.535 ( 12.112 -1.164 8.171) 14.657 30.705 ( 13.441 -1.745 -8.468) 15.981 30.792 ( -10.659 -0.925 9.495) 14.305 31.015 ( -14.589 -1.874 -12.503) 19.304 32.663 ( -0.256 2.085 4.207) 4.702 32.673 ( -1.291 1.837 3.181) 3.894 33.907 ( 4.033 -7.448 4.555) 9.617 33.970 ( -2.266 -7.917 -1.940) 8.460 ======================= Grid point 235 (82/90) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.213 ( 0.000 25.465 15.427) 29.774 4.324 ( 0.000 12.669 19.292) 23.081 4.468 ( 0.000 18.801 0.877) 18.821 4.705 ( 0.000 9.269 -7.248) 11.767 5.070 ( 0.000 12.481 1.656) 12.590 5.092 ( 0.000 5.173 0.090) 5.173 5.108 ( 0.000 4.976 -0.926) 5.061 5.177 ( 0.000 6.714 -5.277) 8.540 5.577 ( 0.000 -3.679 9.844) 10.509 5.817 ( 0.000 -6.632 -8.719) 10.955 5.911 ( 0.000 14.252 2.928) 14.550 5.973 ( 0.000 15.197 -3.999) 15.714 6.133 ( 0.000 -8.272 -0.621) 8.296 6.139 ( 0.000 -6.622 0.163) 6.624 6.474 ( 0.000 4.948 0.242) 4.954 6.509 ( 0.000 5.784 -5.258) 7.817 6.624 ( 0.000 -1.521 3.914) 4.199 6.709 ( 0.000 -6.859 -2.565) 7.323 6.848 ( 0.000 -2.173 4.069) 4.613 6.872 ( 0.000 -2.808 0.132) 2.811 7.333 ( 0.000 8.521 -0.332) 8.528 7.349 ( 0.000 10.739 0.291) 10.743 7.402 ( 0.000 2.897 6.513) 7.129 7.496 ( 0.000 12.143 0.619) 12.158 7.716 ( 0.000 6.666 -1.334) 6.798 7.743 ( 0.000 -0.993 -5.870) 5.953 8.184 ( 0.000 -3.256 -2.996) 4.424 8.186 ( 0.000 -5.685 -2.538) 6.225 8.361 ( 0.000 9.383 0.655) 9.406 8.374 ( 0.000 12.475 -0.837) 12.503 8.734 ( 0.000 -7.739 1.827) 7.952 8.832 ( 0.000 -7.978 -7.132) 10.701 9.064 ( 0.000 -0.425 1.535) 1.593 9.125 ( 0.000 -0.987 -4.320) 4.431 9.540 ( 0.000 2.106 2.644) 3.381 9.651 ( 0.000 2.311 -8.558) 8.865 10.016 ( 0.000 -7.791 2.175) 8.088 10.071 ( 0.000 -7.656 -3.361) 8.362 10.439 ( 0.000 -11.378 6.927) 13.321 10.546 ( 0.000 -12.911 -4.315) 13.613 10.997 ( 0.000 -2.105 2.347) 3.153 11.074 ( 0.000 -6.634 -5.311) 8.498 11.563 ( 0.000 -0.590 2.461) 2.530 11.666 ( 0.000 -2.607 -7.981) 8.396 12.727 ( 0.000 7.778 -0.798) 7.819 12.728 ( 0.000 9.064 -0.834) 9.103 13.194 ( 0.000 -2.811 5.812) 6.456 13.286 ( 0.000 -0.351 -3.213) 3.232 13.849 ( 0.000 -3.782 3.235) 4.977 13.893 ( 0.000 -5.254 -1.685) 5.517 14.108 ( 0.000 -1.586 1.892) 2.469 14.149 ( 0.000 -4.287 -2.475) 4.950 14.254 ( 0.000 -1.758 1.771) 2.495 14.257 ( 0.000 -1.820 1.418) 2.307 15.039 ( 0.000 -12.933 1.950) 13.079 15.048 ( 0.000 -11.752 1.145) 11.807 15.857 ( 0.000 11.413 4.720) 12.351 15.975 ( 0.000 12.270 -7.325) 14.290 16.791 ( 0.000 -0.484 0.605) 0.775 16.809 ( 0.000 -1.878 -1.111) 2.182 17.204 ( 0.000 -2.932 2.226) 3.681 17.264 ( 0.000 -2.937 -3.820) 4.819 17.369 ( 0.000 0.336 0.079) 0.345 17.383 ( 0.000 1.057 -0.916) 1.399 18.540 ( 0.000 3.760 2.297) 4.406 18.599 ( 0.000 1.837 -3.561) 4.007 19.022 ( 0.000 -6.801 1.751) 7.023 19.054 ( 0.000 -9.672 -1.235) 9.751 27.587 ( 0.000 0.299 0.425) 0.520 27.595 ( 0.000 0.153 -0.395) 0.423 27.759 ( 0.000 -1.380 0.874) 1.634 27.771 ( 0.000 -1.483 -0.341) 1.522 29.193 ( 0.000 10.764 5.654) 12.159 29.290 ( 0.000 9.290 -4.350) 10.258 29.365 ( 0.000 10.972 4.687) 11.931 29.481 ( 0.000 6.788 -6.636) 9.493 30.250 ( 0.000 -0.565 4.387) 4.423 30.340 ( 0.000 -0.581 -4.799) 4.835 31.055 ( 0.000 -0.692 9.762) 9.786 31.288 ( 0.000 -3.444 -13.792) 14.215 32.753 ( 0.000 4.658 3.766) 5.990 32.763 ( 0.000 2.807 2.645) 3.857 33.593 ( 0.000 -10.885 11.520) 15.849 33.766 ( 0.000 -13.353 -6.220) 14.730 ======================= Grid point 236 (83/90) ======================= q-point: ( 0.20 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 3.214 24.924 13.644) 28.595 4.306 ( -0.557 10.609 16.986) 20.035 4.452 ( -1.319 17.521 2.290) 17.719 4.648 ( -4.974 10.391 -8.830) 14.515 4.975 ( -2.823 10.202 3.061) 11.019 5.045 ( -3.237 13.645 -3.437) 14.439 5.096 ( -6.766 1.828 3.798) 7.972 5.143 ( -6.398 3.559 -0.991) 7.388 5.713 ( 10.021 -3.855 2.497) 11.023 5.834 ( 1.029 -2.722 -4.741) 5.563 5.899 ( 2.542 7.954 1.730) 8.527 5.972 ( 1.737 15.403 -5.745) 16.532 6.166 ( 3.452 -9.003 3.133) 10.138 6.187 ( 3.533 -5.354 0.136) 6.416 6.409 ( -3.067 0.947 -0.358) 3.230 6.478 ( -4.850 1.257 -5.626) 7.534 6.713 ( 8.602 4.198 3.876) 10.327 6.824 ( 6.117 3.903 -3.678) 8.134 6.862 ( 3.812 -7.750 3.942) 9.494 6.897 ( 0.287 -4.003 1.037) 4.145 7.203 ( -4.683 7.728 4.966) 10.311 7.286 ( -4.080 9.967 -3.536) 11.335 7.478 ( 0.329 6.780 3.419) 7.600 7.498 ( 0.476 6.731 1.678) 6.953 7.692 ( -1.363 2.059 0.979) 2.657 7.774 ( -0.007 6.378 -6.218) 8.907 8.030 ( -8.762 4.108 3.329) 10.234 8.138 ( -2.801 3.383 -7.749) 8.907 8.365 ( -1.349 6.175 1.128) 6.421 8.424 ( -4.463 3.407 -4.228) 7.029 8.585 ( -10.741 -3.485 -0.505) 11.304 8.618 ( -6.658 -5.251 -4.082) 9.411 9.279 ( 16.574 -1.998 4.395) 17.263 9.382 ( 14.002 -3.018 -6.370) 15.676 9.694 ( 14.773 -0.664 2.796) 15.050 9.800 ( 13.853 -1.628 -7.776) 15.969 10.048 ( 3.648 -7.912 2.780) 9.146 10.110 ( 3.900 -6.418 -3.383) 8.237 10.389 ( -3.585 -10.134 5.671) 12.153 10.496 ( -4.185 -12.864 -5.245) 14.509 11.014 ( 1.336 -2.242 2.493) 3.609 11.085 ( 0.646 -6.133 -4.548) 7.663 11.408 ( -15.255 -1.153 1.869) 15.412 11.501 ( -15.917 -3.106 -7.516) 17.874 12.725 ( -0.054 7.741 -0.551) 7.761 12.731 ( 0.034 8.425 -1.237) 8.516 13.242 ( 4.648 -1.846 5.286) 7.277 13.325 ( 3.779 0.719 -2.844) 4.784 13.777 ( -8.037 -4.393 1.700) 9.316 13.806 ( -8.930 -4.401 -1.560) 10.077 13.958 ( -5.146 0.950 2.685) 5.881 13.999 ( -5.273 0.047 -1.457) 5.471 14.470 ( 12.544 -6.470 1.891) 14.241 14.486 ( 13.317 -7.545 0.193) 15.307 15.014 ( -2.252 -11.504 2.587) 12.004 15.035 ( -1.573 -11.605 0.410) 11.718 15.879 ( 2.070 11.794 4.110) 12.660 15.977 ( 0.064 12.473 -5.920) 13.807 16.788 ( -0.178 -1.123 0.501) 1.242 16.807 ( -0.229 -1.909 -1.379) 2.366 17.218 ( 1.423 -2.495 1.960) 3.477 17.271 ( 0.701 -2.463 -3.267) 4.150 17.355 ( -1.410 0.068 0.078) 1.413 17.370 ( -1.261 0.716 -1.066) 1.800 18.540 ( 0.021 3.495 1.890) 3.973 18.588 ( -1.022 1.843 -2.920) 3.601 19.017 ( -0.413 -6.591 1.379) 6.746 19.042 ( -1.069 -8.901 -0.950) 9.015 27.588 ( 0.141 0.411 0.356) 0.562 27.595 ( -0.015 0.293 -0.314) 0.430 27.758 ( -0.080 -1.468 0.751) 1.650 27.768 ( -0.295 -1.549 -0.239) 1.595 29.203 ( 1.031 11.310 5.910) 12.802 29.294 ( -0.227 11.888 -2.224) 12.097 29.369 ( 1.044 8.330 2.831) 8.860 29.477 ( -0.499 7.029 -6.650) 9.689 30.317 ( 6.783 -0.821 5.197) 8.584 30.430 ( 8.751 -1.299 -6.338) 10.883 30.972 ( -8.038 -0.928 9.349) 12.364 31.196 ( -9.011 -3.582 -13.289) 16.451 32.745 ( -0.616 4.492 4.088) 6.105 32.757 ( -0.594 4.086 2.866) 5.026 33.625 ( 2.907 -11.449 9.432) 15.116 33.762 ( -0.499 -13.351 -4.584) 14.125 ======================= Grid point 237 (84/90) ======================= q-point: ( 0.40 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 3.827 22.997 11.480) 25.986 4.349 ( 3.805 15.092 8.220) 17.602 4.430 ( 0.317 12.296 7.468) 14.390 4.536 ( -6.650 9.563 -1.158) 11.705 4.902 ( -5.398 1.432 1.943) 5.913 4.943 ( -7.392 2.610 -1.136) 7.921 4.981 ( 0.526 12.522 -1.330) 12.603 5.022 ( -3.002 12.758 -3.896) 13.673 5.823 ( 2.029 6.156 1.146) 6.583 5.846 ( -0.180 8.036 -0.474) 8.051 6.011 ( 7.031 -3.822 1.125) 8.082 6.066 ( 3.708 -0.205 -5.142) 6.343 6.228 ( 0.947 -5.524 7.107) 9.051 6.237 ( 0.875 -4.862 3.022) 5.791 6.362 ( -0.552 -3.595 -6.216) 7.202 6.391 ( -3.155 -4.099 -6.698) 8.463 6.795 ( 0.648 7.105 3.969) 8.164 6.839 ( -3.735 5.208 0.427) 6.423 6.988 ( 11.563 1.723 3.401) 12.175 7.039 ( 9.932 -0.194 -1.574) 10.058 7.182 ( -0.228 4.092 4.013) 5.736 7.238 ( -3.178 4.268 -1.306) 5.479 7.435 ( -2.910 7.469 5.176) 9.542 7.453 ( -4.333 5.879 2.679) 7.779 7.663 ( -0.850 3.610 -2.966) 4.749 7.702 ( -4.777 7.726 -6.333) 11.073 7.976 ( 3.028 8.338 4.277) 9.849 8.098 ( -4.986 13.318 -5.074) 15.099 8.199 ( -4.892 -5.104 -3.040) 7.695 8.271 ( -7.324 -0.478 -7.481) 10.480 8.538 ( 1.046 2.298 1.102) 2.754 8.562 ( -1.176 0.762 -1.248) 1.877 9.543 ( 8.391 -3.325 1.164) 9.101 9.580 ( 5.020 -3.820 -2.456) 6.769 9.953 ( 8.814 -10.001 3.490) 13.780 10.026 ( 3.865 -14.037 -2.524) 14.777 10.148 ( -0.017 -3.804 1.049) 3.946 10.190 ( 1.695 -4.969 -3.148) 6.122 10.464 ( 18.042 -4.193 2.224) 18.656 10.552 ( 16.697 -6.519 -6.490) 19.063 10.960 ( -18.716 -0.783 1.305) 18.778 10.984 ( -19.084 0.491 -1.051) 19.120 11.106 ( -1.510 -7.571 -1.677) 7.900 11.151 ( -10.154 -6.451 -6.590) 13.716 12.726 ( 0.134 7.430 -0.770) 7.471 12.729 ( -0.162 7.754 -1.155) 7.842 13.364 ( 7.176 0.947 3.984) 8.262 13.417 ( 4.333 4.282 -0.768) 6.140 13.595 ( -7.905 -6.156 0.044) 10.020 13.620 ( -8.157 -2.641 -2.008) 8.806 13.919 ( -0.135 -0.064 1.579) 1.586 13.937 ( -1.881 -0.226 -0.275) 1.914 14.675 ( 7.277 -11.576 2.102) 13.834 14.694 ( 6.212 -12.455 0.114) 13.919 14.964 ( -1.879 -8.590 2.402) 9.115 14.985 ( -3.136 -9.391 0.227) 9.904 15.928 ( 2.579 12.504 1.806) 12.895 15.968 ( -1.237 12.757 -2.206) 13.006 16.789 ( 0.306 -1.998 -0.324) 2.048 16.799 ( -0.593 -2.183 -1.295) 2.607 17.257 ( 2.343 -1.450 1.365) 3.075 17.288 ( 0.464 -1.052 -1.112) 1.599 17.321 ( -1.324 -0.905 -0.695) 1.748 17.338 ( -1.817 -0.253 -1.610) 2.441 18.545 ( 0.608 2.811 0.639) 2.946 18.564 ( -1.235 2.117 -1.240) 2.747 19.011 ( 0.015 -6.518 0.536) 6.540 19.021 ( -0.911 -7.393 -0.304) 7.455 27.591 ( 0.175 0.584 0.163) 0.631 27.594 ( -0.090 0.540 -0.097) 0.556 27.758 ( 0.063 -1.626 0.428) 1.682 27.761 ( -0.299 -1.654 0.046) 1.682 29.232 ( 1.841 12.443 5.590) 13.765 29.270 ( -1.851 13.254 3.274) 13.777 29.410 ( 2.573 6.897 -2.598) 7.807 29.455 ( -1.787 7.119 -5.541) 9.197 30.506 ( 11.746 -1.298 6.521) 13.497 30.656 ( 11.734 -2.704 -8.125) 14.526 30.768 ( -10.158 -1.214 7.084) 12.444 30.958 ( -14.197 -3.443 -11.596) 18.651 32.737 ( -0.048 5.055 4.125) 6.525 32.743 ( -0.613 5.125 3.506) 6.239 33.690 ( 3.211 -12.465 4.728) 13.713 33.740 ( -1.821 -13.143 -0.445) 13.276 ======================= Grid point 240 (85/90) ======================= q-point: ( 0.00 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.597 ( 0.000 13.431 20.340) 24.375 4.648 ( 0.000 12.994 8.805) 15.696 4.763 ( 0.000 6.326 -0.801) 6.376 4.898 ( 0.000 6.839 -6.634) 9.528 5.194 ( 0.000 7.712 4.845) 9.107 5.242 ( 0.000 10.372 0.261) 10.375 5.339 ( 0.000 3.864 8.994) 9.789 5.379 ( 0.000 11.855 -2.130) 12.045 5.515 ( 0.000 0.603 -0.154) 0.623 5.640 ( 0.000 -8.325 -1.800) 8.518 5.949 ( 0.000 -7.855 -3.787) 8.720 6.008 ( 0.000 -4.866 -6.802) 8.364 6.126 ( 0.000 4.884 6.134) 7.841 6.237 ( 0.000 5.791 -4.380) 7.261 6.509 ( 0.000 -1.658 2.258) 2.802 6.517 ( 0.000 -4.270 -2.516) 4.956 6.584 ( 0.000 -3.090 2.669) 4.084 6.593 ( 0.000 -1.835 -0.433) 1.885 6.916 ( 0.000 8.900 0.075) 8.900 6.966 ( 0.000 10.975 -4.870) 12.007 7.350 ( 0.000 -4.141 12.512) 13.179 7.555 ( 0.000 2.150 2.989) 3.682 7.638 ( 0.000 6.842 -9.027) 11.327 7.679 ( 0.000 17.270 -1.852) 17.369 7.785 ( 0.000 7.288 3.159) 7.943 7.903 ( 0.000 8.299 -6.783) 10.718 8.046 ( 0.000 -6.332 0.193) 6.335 8.144 ( 0.000 0.786 -8.028) 8.066 8.461 ( 0.000 -8.513 0.424) 8.524 8.501 ( 0.000 -5.218 -3.808) 6.459 8.568 ( 0.000 -0.874 4.435) 4.521 8.649 ( 0.000 -5.725 -3.637) 6.783 9.131 ( 0.000 6.587 0.220) 6.590 9.163 ( 0.000 4.528 -3.304) 5.606 9.652 ( 0.000 6.775 1.659) 6.976 9.733 ( 0.000 3.525 -6.352) 7.265 9.816 ( 0.000 -9.326 1.290) 9.415 9.863 ( 0.000 -10.572 -3.654) 11.186 10.289 ( 0.000 -0.816 3.905) 3.989 10.351 ( 0.000 -2.641 -2.599) 3.706 10.881 ( 0.000 -9.051 -0.488) 9.064 10.884 ( 0.000 -11.512 -0.699) 11.533 11.538 ( 0.000 -1.229 1.128) 1.669 11.591 ( 0.000 -3.795 -4.243) 5.692 12.895 ( 0.000 7.592 0.743) 7.628 12.936 ( 0.000 10.169 -3.532) 10.765 13.133 ( 0.000 -3.299 6.587) 7.367 13.265 ( 0.000 -2.498 -6.550) 7.011 13.776 ( 0.000 -4.998 0.988) 5.095 13.787 ( 0.000 -1.746 1.107) 2.067 13.929 ( 0.000 -10.302 -0.982) 10.348 13.937 ( 0.000 -9.324 -1.243) 9.407 14.347 ( 0.000 7.435 2.884) 7.974 14.365 ( 0.000 7.765 1.002) 7.830 14.773 ( 0.000 -12.005 2.955) 12.363 14.796 ( 0.000 -11.744 0.571) 11.758 16.140 ( 0.000 14.335 5.009) 15.185 16.249 ( 0.000 12.623 -6.127) 14.031 16.718 ( 0.000 -6.665 0.875) 6.722 16.737 ( 0.000 -4.813 -1.144) 4.947 17.160 ( 0.000 -1.021 0.763) 1.275 17.202 ( 0.000 -2.625 -3.543) 4.409 17.387 ( 0.000 1.206 0.746) 1.418 17.404 ( 0.000 0.780 -0.839) 1.146 18.630 ( 0.000 4.664 0.337) 4.676 18.645 ( 0.000 2.683 -1.110) 2.904 18.862 ( 0.000 -7.990 0.928) 8.044 18.875 ( 0.000 -6.772 -0.634) 6.801 27.607 ( 0.000 1.423 0.078) 1.425 27.610 ( 0.000 1.138 -0.213) 1.158 27.726 ( 0.000 -1.585 0.660) 1.717 27.735 ( 0.000 -1.812 -0.234) 1.827 29.362 ( 0.000 5.650 5.537) 7.911 29.426 ( 0.000 3.303 -0.792) 3.397 29.600 ( 0.000 9.052 -0.455) 9.063 29.630 ( 0.000 6.236 -3.326) 7.068 30.253 ( 0.000 1.075 3.613) 3.770 30.326 ( 0.000 -0.929 -3.666) 3.782 31.055 ( 0.000 1.029 3.505) 3.652 31.200 ( 0.000 -4.640 -10.906) 11.852 32.860 ( 0.000 6.352 5.007) 8.088 32.888 ( 0.000 7.843 2.147) 8.131 33.348 ( 0.000 -11.289 9.348) 14.657 33.466 ( 0.000 -14.131 -2.668) 14.381 ======================= Grid point 241 (86/90) ======================= q-point: ( 0.20 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( -3.813 8.535 12.903) 15.933 4.620 ( -4.639 4.969 -0.404) 6.810 4.775 ( 3.534 17.072 12.339) 21.359 4.996 ( 3.290 15.597 -7.615) 17.666 5.160 ( -10.928 2.531 7.624) 13.563 5.166 ( -3.088 7.172 4.099) 8.819 5.243 ( -6.185 10.671 2.253) 12.538 5.328 ( -2.618 10.004 -5.957) 11.934 5.592 ( 6.623 -6.326 2.896) 9.605 5.685 ( 4.383 -7.111 -2.898) 8.842 5.909 ( -0.900 -10.336 1.948) 10.556 5.977 ( -4.959 -6.948 -0.940) 8.588 6.144 ( 4.120 3.823 1.610) 5.846 6.244 ( 0.273 5.495 -5.650) 7.886 6.455 ( -3.530 1.184 1.813) 4.141 6.511 ( -6.102 1.103 -1.350) 6.347 6.673 ( 9.807 -4.861 1.847) 11.100 6.700 ( 10.492 -3.814 0.231) 11.166 6.977 ( 6.138 10.299 1.048) 12.035 7.032 ( 6.043 11.734 -4.615) 13.982 7.343 ( -0.453 2.235 7.440) 7.781 7.497 ( -7.162 6.579 -7.008) 11.987 7.584 ( 0.549 5.514 6.757) 8.739 7.680 ( -1.910 10.698 -1.376) 10.954 7.741 ( -4.192 4.682 3.490) 7.188 7.895 ( -3.532 1.527 -10.892) 11.551 8.037 ( 0.028 0.110 3.782) 3.784 8.152 ( -0.139 -0.162 -7.814) 7.817 8.393 ( -7.701 -7.160 -1.446) 10.614 8.431 ( -5.446 -8.704 -5.144) 11.484 8.552 ( -1.868 3.099 2.196) 4.232 8.590 ( -0.060 3.253 -1.644) 3.645 9.318 ( 15.339 6.427 2.149) 16.769 9.380 ( 14.354 3.684 -4.364) 15.448 9.715 ( 4.627 1.333 0.813) 4.883 9.767 ( 2.542 -2.534 -4.074) 5.430 9.835 ( 5.343 -10.189 2.946) 11.877 9.917 ( 6.170 -10.895 -4.954) 13.465 10.302 ( 2.229 2.562 1.448) 3.692 10.339 ( -0.663 1.405 -2.054) 2.575 10.882 ( 0.174 -11.611 -0.126) 11.613 10.888 ( 0.051 -11.616 -0.651) 11.634 11.380 ( -15.454 -1.036 0.644) 15.502 11.425 ( -16.170 -3.392 -3.897) 16.975 12.890 ( -0.274 7.750 0.517) 7.772 12.926 ( -0.991 9.612 -3.299) 10.211 13.181 ( 4.493 -4.404 5.766) 8.534 13.302 ( 3.215 -4.456 -6.399) 8.435 13.686 ( -6.508 -1.561 3.225) 7.429 13.744 ( -5.318 -0.692 -2.532) 5.931 13.898 ( -1.215 -6.587 1.380) 6.839 13.931 ( -1.220 -6.296 -1.908) 6.691 14.415 ( 5.502 2.785 2.711) 6.737 14.433 ( 5.436 3.014 0.888) 6.279 14.772 ( -0.163 -11.124 2.807) 11.474 14.793 ( -0.426 -11.164 0.656) 11.191 16.163 ( 2.101 14.114 4.240) 14.886 16.254 ( 0.289 12.810 -5.101) 13.791 16.706 ( -0.912 -6.743 1.011) 6.879 16.729 ( -0.868 -5.521 -1.375) 5.755 17.183 ( 2.200 -0.745 0.686) 2.422 17.220 ( 1.758 -2.144 -3.098) 4.157 17.367 ( -1.992 0.969 0.656) 2.310 17.385 ( -1.939 0.514 -0.984) 2.235 18.626 ( -0.324 4.633 0.245) 4.651 18.638 ( -0.639 3.015 -0.874) 3.204 18.862 ( 0.034 -7.688 0.759) 7.725 18.873 ( -0.189 -6.728 -0.529) 6.751 27.611 ( 0.361 1.568 0.076) 1.610 27.613 ( 0.302 1.333 -0.162) 1.376 27.723 ( -0.309 -1.753 0.562) 1.867 27.730 ( -0.456 -1.928 -0.179) 1.989 29.389 ( 2.549 6.378 5.754) 8.960 29.459 ( 3.119 3.653 -1.139) 4.937 29.573 ( -2.233 8.892 1.538) 9.296 29.628 ( -0.689 5.964 -3.817) 7.114 30.316 ( 6.371 0.971 3.377) 7.276 30.400 ( 7.339 -1.616 -5.019) 9.037 30.967 ( -8.475 0.797 3.370) 9.156 31.107 ( -9.033 -4.622 -10.475) 14.584 32.866 ( 0.677 7.333 5.090) 8.952 32.895 ( 0.425 8.467 2.206) 8.760 33.365 ( 1.553 -12.311 8.077) 14.806 33.460 ( -0.637 -14.378 -1.642) 14.485 ======================= Grid point 242 (87/90) ======================= q-point: ( 0.40 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.514 ( 5.676 7.022 8.988) 12.740 4.599 ( 1.565 4.854 -0.049) 5.101 4.767 ( -5.458 10.605 7.422) 14.048 4.849 ( -12.037 5.634 -0.610) 13.304 5.022 ( -2.838 10.799 4.249) 11.947 5.041 ( -3.334 17.414 3.001) 17.983 5.246 ( 3.499 10.827 -0.810) 11.408 5.300 ( -1.744 11.891 -5.265) 13.121 5.733 ( 6.787 -9.507 4.855) 12.649 5.794 ( 4.167 -8.840 1.593) 9.902 5.887 ( -1.413 -10.373 1.382) 10.559 5.923 ( -1.128 -9.609 0.478) 9.687 6.189 ( 1.288 1.275 1.273) 2.215 6.233 ( -2.409 1.976 -3.715) 4.848 6.357 ( -3.216 -1.424 0.328) 3.532 6.386 ( -5.341 0.030 -1.214) 5.477 6.904 ( 10.770 5.257 3.402) 12.458 6.935 ( 9.159 5.817 0.191) 10.852 7.128 ( 8.775 5.822 1.574) 10.647 7.156 ( 6.027 8.983 -2.291) 11.057 7.310 ( -4.213 7.603 0.078) 8.692 7.348 ( -8.534 7.871 -2.596) 11.896 7.590 ( -0.431 5.970 3.972) 7.184 7.623 ( -3.716 8.738 5.312) 10.880 7.685 ( 1.851 -0.298 -2.599) 3.204 7.784 ( -6.458 0.473 -8.047) 10.329 8.019 ( -0.827 -3.325 1.833) 3.886 8.074 ( -6.299 -6.723 -3.011) 9.692 8.316 ( 0.695 6.216 -3.732) 7.283 8.349 ( -2.281 5.463 -6.800) 9.015 8.554 ( 0.825 -1.888 0.920) 2.257 8.577 ( -1.274 -0.057 -1.597) 2.044 9.557 ( 6.730 4.279 -0.221) 7.978 9.571 ( 5.146 2.752 -1.664) 6.068 9.744 ( -0.556 -8.106 0.368) 8.133 9.753 ( -1.991 -9.177 -0.136) 9.392 10.071 ( 7.917 -2.350 0.878) 8.305 10.104 ( 7.358 -1.535 -2.395) 7.888 10.410 ( 15.226 -0.980 1.752) 15.358 10.486 ( 17.074 0.267 -5.902) 18.067 10.843 ( -8.275 -12.684 2.374) 15.329 10.896 ( 0.095 -12.087 -2.167) 12.280 10.989 ( -20.564 0.044 -0.756) 20.578 11.016 ( -19.541 -2.893 -3.593) 20.078 12.890 ( 0.381 8.178 -0.576) 8.208 12.904 ( -0.990 8.805 -2.095) 9.105 13.288 ( 5.623 -8.441 2.999) 10.576 13.354 ( 0.378 -11.082 -3.738) 11.702 13.580 ( -2.372 6.678 2.264) 7.439 13.625 ( -5.516 4.406 -2.388) 7.453 13.888 ( 0.168 -4.224 0.567) 4.265 13.903 ( -1.289 -4.277 -0.983) 4.574 14.512 ( 3.414 -1.995 2.288) 4.568 14.523 ( 2.565 -2.156 1.263) 3.581 14.768 ( 0.018 -9.500 2.139) 9.737 14.779 ( -0.879 -9.791 1.070) 9.889 16.212 ( 2.552 13.698 1.772) 14.046 16.249 ( -1.004 13.282 -2.023) 13.473 16.694 ( -0.034 -7.034 0.300) 7.040 16.707 ( -1.140 -6.569 -1.002) 6.742 17.241 ( 3.451 -0.108 0.580) 3.501 17.268 ( 2.847 -0.983 -2.080) 3.660 17.313 ( -3.198 0.287 0.414) 3.238 17.333 ( -3.089 -0.231 -1.456) 3.423 18.621 ( -0.074 4.390 -0.001) 4.391 18.625 ( -0.505 3.763 -0.396) 3.818 18.864 ( 0.157 -7.117 0.313) 7.126 18.868 ( -0.258 -6.763 -0.191) 6.770 27.618 ( 0.288 1.844 0.051) 1.868 27.619 ( 0.183 1.756 -0.044) 1.766 27.718 ( -0.129 -2.119 0.298) 2.143 27.720 ( -0.404 -2.174 0.001) 2.211 29.452 ( 3.504 7.817 5.540) 10.201 29.517 ( -2.382 8.920 2.756) 9.635 29.534 ( 3.010 4.123 -0.643) 5.145 29.596 ( -2.495 5.128 -3.163) 6.521 30.496 ( 11.398 0.723 2.762) 11.750 30.599 ( 11.696 -2.671 -7.450) 14.122 30.752 ( -11.804 0.143 3.034) 12.188 30.874 ( -13.497 -4.276 -9.140) 16.852 32.884 ( 0.904 8.853 4.470) 9.959 32.897 ( -0.321 9.304 3.137) 9.824 33.403 ( 2.077 -13.954 4.840) 14.915 33.439 ( -1.496 -14.611 1.142) 14.732 ======================= Grid point 245 (88/90) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.776 ( 0.000 -0.618 3.617) 3.669 4.776 ( 0.000 0.618 3.617) 3.669 4.883 ( 0.000 -8.177 9.044) 12.193 4.883 ( 0.000 8.177 9.044) 12.193 5.317 ( 0.000 -3.468 2.947) 4.551 5.317 ( 0.000 3.468 2.947) 4.551 5.471 ( 0.000 -8.043 8.148) 11.449 5.471 ( 0.000 8.043 8.148) 11.449 5.546 ( 0.000 -1.395 -3.024) 3.330 5.546 ( 0.000 1.395 -3.024) 3.330 5.905 ( 0.000 -4.462 -11.630) 12.457 5.905 ( 0.000 4.462 -11.630) 12.457 6.203 ( 0.000 -4.788 2.824) 5.559 6.203 ( 0.000 4.788 2.824) 5.559 6.471 ( 0.000 -0.510 -2.903) 2.947 6.471 ( 0.000 0.510 -2.903) 2.947 6.569 ( 0.000 -0.554 3.602) 3.645 6.569 ( 0.000 0.554 3.602) 3.645 7.093 ( 0.000 -4.391 -0.024) 4.392 7.093 ( 0.000 4.392 -0.024) 4.392 7.383 ( 0.000 -10.059 2.327) 10.325 7.383 ( 0.000 10.059 2.327) 10.325 7.846 ( 0.000 -7.926 -5.693) 9.758 7.846 ( 0.000 7.926 -5.693) 9.758 7.949 ( 0.000 -0.792 -0.063) 0.795 7.949 ( 0.000 0.792 -0.063) 0.795 8.142 ( 0.000 -13.999 1.503) 14.080 8.142 ( 0.000 13.999 1.503) 14.080 8.251 ( 0.000 -9.926 -7.992) 12.744 8.251 ( 0.000 9.926 -7.992) 12.744 8.597 ( 0.000 -1.557 2.367) 2.833 8.597 ( 0.000 1.557 2.367) 2.833 9.240 ( 0.000 -0.532 -1.784) 1.861 9.240 ( 0.000 0.532 -1.784) 1.861 9.696 ( 0.000 -1.238 0.072) 1.241 9.696 ( 0.000 1.238 0.072) 1.241 9.756 ( 0.000 -2.049 -3.364) 3.939 9.756 ( 0.000 2.049 -3.364) 3.939 10.386 ( 0.000 -2.785 0.459) 2.823 10.386 ( 0.000 2.785 0.459) 2.823 10.695 ( 0.000 -1.508 -0.493) 1.586 10.695 ( 0.000 1.508 -0.493) 1.586 11.534 ( 0.000 -1.229 -1.064) 1.626 11.534 ( 0.000 1.229 -1.064) 1.626 13.037 ( 0.000 -5.600 3.729) 6.728 13.037 ( 0.000 5.600 3.729) 6.728 13.144 ( 0.000 -8.568 -6.290) 10.629 13.144 ( 0.000 8.568 -6.290) 10.629 13.750 ( 0.000 -2.963 3.464) 4.558 13.750 ( 0.000 2.963 3.464) 4.558 13.813 ( 0.000 -2.145 -3.011) 3.697 13.813 ( 0.000 2.145 -3.011) 3.697 14.535 ( 0.000 -10.006 3.001) 10.446 14.535 ( 0.000 10.006 3.001) 10.446 14.559 ( 0.000 -10.178 0.659) 10.199 14.559 ( 0.000 10.178 0.659) 10.199 16.393 ( 0.000 -5.207 1.128) 5.328 16.393 ( 0.000 5.207 1.128) 5.328 16.616 ( 0.000 -2.947 -1.522) 3.317 16.616 ( 0.000 2.947 -1.522) 3.317 17.162 ( 0.000 -1.076 -1.565) 1.899 17.162 ( 0.000 1.076 -1.565) 1.899 17.408 ( 0.000 -0.503 0.056) 0.506 17.408 ( 0.000 0.503 0.056) 0.506 18.720 ( 0.000 -3.386 0.537) 3.428 18.720 ( 0.000 3.386 0.537) 3.428 18.744 ( 0.000 -4.203 -0.789) 4.277 18.744 ( 0.000 4.203 -0.789) 4.277 27.629 ( 0.000 -0.007 -0.106) 0.106 27.629 ( 0.000 0.007 -0.106) 0.106 27.707 ( 0.000 -0.285 0.202) 0.349 27.707 ( 0.000 0.285 0.202) 0.349 29.440 ( 0.000 -1.656 2.844) 3.291 29.440 ( 0.000 1.656 2.844) 3.291 29.700 ( 0.000 -0.326 -1.803) 1.832 29.700 ( 0.000 0.326 -1.803) 1.832 30.292 ( 0.000 -2.149 0.231) 2.162 30.292 ( 0.000 2.149 0.231) 2.162 31.106 ( 0.000 -3.760 -4.721) 6.035 31.106 ( 0.000 3.760 -4.721) 6.035 32.997 ( 0.000 -3.055 4.657) 5.569 32.997 ( 0.000 3.055 4.657) 5.569 33.222 ( 0.000 -5.119 2.643) 5.761 33.222 ( 0.000 5.119 2.643) 5.761 ======================= Grid point 247 (89/90) ======================= q-point: ( 0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( -5.761 -3.228 3.668) 7.554 4.628 ( -5.761 3.228 3.668) 7.554 5.055 ( 4.893 -9.113 11.583) 15.529 5.055 ( 4.893 9.113 11.583) 15.529 5.229 ( -5.507 -4.445 -1.112) 7.164 5.229 ( -5.507 4.445 -1.112) 7.164 5.474 ( -2.021 -4.823 1.512) 5.444 5.474 ( -2.021 4.823 1.512) 5.444 5.532 ( 1.228 -7.746 -0.722) 7.876 5.532 ( 1.228 7.746 -0.722) 7.876 5.802 ( -5.105 -4.433 -2.979) 7.388 5.802 ( -5.105 4.433 -2.979) 7.388 6.260 ( 1.726 -4.963 1.475) 5.458 6.260 ( 1.726 4.963 1.475) 5.458 6.444 ( -4.319 -3.484 -2.704) 6.173 6.444 ( -4.319 3.484 -2.704) 6.173 6.673 ( 12.020 -1.405 2.160) 12.293 6.673 ( 12.020 1.405 2.160) 12.293 7.158 ( 5.629 -4.122 -0.084) 6.977 7.158 ( 5.629 4.122 -0.084) 6.977 7.421 ( 3.572 -8.497 1.237) 9.300 7.421 ( 3.572 8.497 1.237) 9.300 7.746 ( -8.068 -7.582 -2.245) 11.297 7.746 ( -8.068 7.582 -2.245) 11.297 7.926 ( -2.690 -3.737 -1.581) 4.869 7.926 ( -2.690 3.737 -1.581) 4.869 8.066 ( -8.140 -6.422 -1.576) 10.487 8.066 ( -8.140 6.422 -1.576) 10.487 8.273 ( 4.013 -2.003 -4.933) 6.667 8.273 ( 4.013 2.003 -4.933) 6.667 8.603 ( -0.857 -1.242 0.741) 1.681 8.603 ( -0.857 1.242 0.741) 1.681 9.461 ( 17.633 -1.957 -1.050) 17.773 9.461 ( 17.633 1.957 -1.050) 17.773 9.684 ( -1.110 -1.447 0.015) 1.824 9.684 ( -1.110 1.447 0.015) 1.824 9.757 ( 3.152 -2.417 -3.152) 5.071 9.757 ( 3.152 2.417 -3.152) 5.071 10.457 ( 6.624 -3.448 0.529) 7.486 10.457 ( 6.624 3.448 0.529) 7.486 10.651 ( -4.552 -2.697 -0.878) 5.363 10.651 ( -4.552 2.697 -0.878) 5.363 11.377 ( -15.189 -0.983 -1.100) 15.261 11.377 ( -15.189 0.983 -1.100) 15.261 13.050 ( 1.204 -7.056 2.755) 7.670 13.050 ( 1.204 7.056 2.755) 7.670 13.135 ( -0.862 -9.560 -5.275) 10.953 13.135 ( -0.862 9.560 -5.275) 10.953 13.746 ( -0.313 -5.847 2.674) 6.437 13.746 ( -0.313 5.847 2.674) 6.437 13.796 ( -1.523 -4.859 -2.562) 5.701 13.796 ( -1.523 4.859 -2.562) 5.701 14.552 ( 1.527 -8.667 2.789) 9.231 14.552 ( 1.527 8.667 2.789) 9.231 14.573 ( 1.152 -8.720 0.891) 8.841 14.573 ( 1.152 8.720 0.891) 8.841 16.413 ( 2.028 -5.032 0.905) 5.500 16.413 ( 2.028 5.032 0.905) 5.500 16.594 ( -2.167 -3.267 -1.266) 4.120 16.594 ( -2.167 3.267 -1.266) 4.120 17.186 ( 2.374 -0.955 -1.363) 2.899 17.186 ( 2.374 0.955 -1.363) 2.899 17.385 ( -2.248 -0.508 -0.085) 2.307 17.385 ( -2.248 0.508 -0.085) 2.307 18.721 ( 0.107 -3.694 0.439) 3.722 18.721 ( 0.107 3.694 0.439) 3.722 18.740 ( -0.334 -4.335 -0.654) 4.397 18.740 ( -0.334 4.335 -0.654) 4.397 27.636 ( 0.718 -0.039 -0.072) 0.723 27.636 ( 0.718 0.039 -0.072) 0.723 27.699 ( -0.743 -0.258 0.174) 0.806 27.699 ( -0.743 0.258 0.174) 0.806 29.477 ( 3.407 -1.801 2.893) 4.819 29.477 ( 3.407 1.801 2.893) 4.819 29.684 ( -1.693 -1.209 -0.838) 2.243 29.684 ( -1.693 1.209 -0.838) 2.243 30.357 ( 6.435 -2.398 -0.865) 6.922 30.357 ( 6.435 2.398 -0.865) 6.922 31.014 ( -8.836 -3.627 -4.571) 10.588 31.014 ( -8.836 3.627 -4.571) 10.588 33.027 ( 2.784 -3.519 4.411) 6.292 33.027 ( 2.784 3.519 4.411) 6.292 33.206 ( -1.622 -5.079 2.807) 6.026 33.206 ( -1.622 5.079 2.807) 6.026 ======================= Grid point 249 (90/90) ======================= q-point: ( 0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( 6.165 -2.652 2.398) 7.126 4.628 ( 6.165 2.652 2.398) 7.126 4.855 ( -15.347 -2.069 3.453) 15.866 4.855 ( -15.347 2.069 3.453) 15.867 5.305 ( 6.063 -7.785 3.495) 10.468 5.305 ( 6.063 7.785 3.496) 10.468 5.401 ( -4.123 -8.074 2.238) 9.338 5.401 ( -4.123 8.074 2.238) 9.338 5.626 ( 6.809 -3.981 -0.793) 7.927 5.626 ( 6.809 3.981 -0.793) 7.927 5.737 ( -3.477 -2.563 0.640) 4.366 5.737 ( -3.477 2.563 0.640) 4.366 6.260 ( 0.161 -3.670 1.968) 4.168 6.260 ( 0.161 3.671 1.968) 4.168 6.322 ( -6.111 -3.460 -1.228) 7.129 6.322 ( -6.111 3.460 -1.228) 7.129 6.993 ( 17.265 -1.289 0.565) 17.322 6.993 ( 17.265 1.289 0.565) 17.322 7.220 ( -2.870 -2.361 0.945) 3.835 7.220 ( -2.870 2.361 0.945) 3.835 7.501 ( 3.917 -6.391 -0.557) 7.517 7.501 ( 3.917 6.391 -0.557) 7.517 7.588 ( -6.431 -7.122 -0.898) 9.637 7.588 ( -6.431 7.122 -0.898) 9.637 7.865 ( -2.215 -7.034 -1.591) 7.545 7.865 ( -2.215 7.035 -1.591) 7.545 7.900 ( -6.328 -6.276 -2.121) 9.161 7.900 ( -6.328 6.276 -2.121) 9.161 8.393 ( 7.391 -1.719 -3.390) 8.311 8.393 ( 7.391 1.719 -3.390) 8.311 8.534 ( -5.968 -1.989 -1.720) 6.522 8.534 ( -5.968 1.989 -1.720) 6.522 9.625 ( 1.712 -0.912 -0.542) 2.014 9.625 ( 1.712 0.912 -0.542) 2.014 9.656 ( -1.664 -0.874 -0.242) 1.895 9.656 ( -1.664 0.874 -0.242) 1.895 10.093 ( 24.920 -2.251 -1.541) 25.069 10.093 ( 24.920 2.251 -1.541) 25.069 10.479 ( -12.229 -6.819 0.532) 14.012 10.479 ( -12.229 6.819 0.532) 14.012 10.653 ( 11.914 -5.240 -1.674) 13.122 10.653 ( 11.914 5.240 -1.674) 13.122 10.993 ( -21.262 -0.394 -1.323) 21.306 10.993 ( -21.262 0.394 -1.323) 21.306 13.080 ( 1.666 -9.396 0.318) 9.548 13.080 ( 1.666 9.396 0.318) 9.548 13.112 ( -1.484 -10.431 -2.708) 10.879 13.112 ( -1.484 10.431 -2.708) 10.878 13.745 ( 0.416 -8.030 0.779) 8.078 13.745 ( 0.416 8.030 0.779) 8.078 13.764 ( -1.447 -7.510 -1.210) 7.743 13.764 ( -1.447 7.510 -1.210) 7.743 14.582 ( 1.187 -6.435 2.208) 6.907 14.582 ( 1.187 6.436 2.208) 6.907 14.591 ( 0.364 -6.402 1.489) 6.583 14.591 ( 0.364 6.402 1.489) 6.583 16.468 ( 3.340 -4.556 0.272) 5.656 16.468 ( 3.340 4.556 0.272) 5.656 16.537 ( -3.415 -3.913 -0.572) 5.225 16.537 ( -3.415 3.913 -0.572) 5.225 17.249 ( 3.760 -0.730 -0.912) 3.938 17.249 ( 3.760 0.730 -0.912) 3.938 17.325 ( -3.696 -0.567 -0.444) 3.765 17.325 ( -3.696 0.567 -0.444) 3.765 18.725 ( 0.286 -4.232 0.135) 4.244 18.725 ( 0.286 4.232 0.135) 4.244 18.732 ( -0.424 -4.466 -0.295) 4.496 18.732 ( -0.424 4.466 -0.295) 4.496 27.655 ( 1.173 -0.104 0.010) 1.178 27.655 ( 1.173 0.104 0.010) 1.178 27.679 ( -1.189 -0.187 0.102) 1.208 27.679 ( -1.189 0.187 0.102) 1.208 29.558 ( 4.320 -2.002 2.505) 5.380 29.558 ( 4.320 2.002 2.505) 5.380 29.634 ( -3.273 -1.873 1.080) 3.923 29.634 ( -3.273 1.873 1.080) 3.923 30.538 ( 11.588 -2.855 -2.818) 12.262 30.538 ( 11.588 2.855 -2.818) 12.262 30.789 ( -13.006 -3.291 -4.056) 14.015 30.789 ( -13.006 3.291 -4.056) 14.015 33.093 ( 3.637 -4.318 3.854) 6.836 33.093 ( 3.637 4.318 3.854) 6.836 33.160 ( -2.973 -4.863 3.254) 6.564 33.160 ( -2.973 4.863 3.254) 6.564 =================== 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 3/36960 10.0 2986.029 2826.883 4269.269 0.000 0.000 -0.000 3/36960 20.0 2262.811 2179.920 2234.238 0.000 0.000 -0.000 3/36960 30.0 727.405 752.842 760.512 0.000 0.000 0.000 3/36960 40.0 257.507 283.163 281.746 0.000 0.000 0.000 3/36960 50.0 119.547 139.528 137.789 0.000 0.000 0.000 3/36960 60.0 68.016 82.667 81.476 0.000 0.000 0.000 3/36960 70.0 44.162 55.027 54.267 0.000 0.000 0.000 3/36960 80.0 31.348 39.652 39.153 0.000 0.000 -0.000 3/36960 90.0 23.709 30.263 29.915 0.000 0.000 -0.000 3/36960 100.0 18.795 24.121 23.857 0.000 0.000 -0.000 3/36960 110.0 15.443 19.882 19.664 0.000 0.000 -0.000 3/36960 120.0 13.048 16.826 16.634 0.000 0.000 -0.000 3/36960 130.0 11.271 14.546 14.366 0.000 0.000 -0.000 3/36960 140.0 9.910 12.793 12.619 0.000 0.000 -0.000 3/36960 150.0 8.842 11.412 11.240 0.000 0.000 -0.000 3/36960 160.0 7.984 10.301 10.129 0.000 0.000 -0.000 3/36960 170.0 7.283 9.392 9.218 0.000 0.000 -0.000 3/36960 180.0 6.701 8.637 8.460 0.000 0.000 -0.000 3/36960 190.0 6.211 8.001 7.821 0.000 0.000 -0.000 3/36960 200.0 5.794 7.459 7.276 0.000 0.000 -0.000 3/36960 210.0 5.435 6.993 6.807 0.000 0.000 -0.000 3/36960 220.0 5.124 6.589 6.400 0.000 0.000 -0.000 3/36960 230.0 4.852 6.236 6.044 0.000 0.000 -0.000 3/36960 240.0 4.613 5.925 5.729 0.000 0.000 -0.000 3/36960 250.0 4.400 5.649 5.451 0.000 0.000 -0.000 3/36960 260.0 4.211 5.403 5.202 0.000 0.000 -0.000 3/36960 270.0 4.042 5.183 4.979 0.000 0.000 -0.000 3/36960 280.0 3.889 4.985 4.778 0.000 0.000 -0.000 3/36960 290.0 3.750 4.805 4.596 0.000 0.000 -0.000 3/36960 300.0 3.625 4.641 4.430 0.000 0.000 -0.000 3/36960 310.0 3.509 4.492 4.278 0.000 0.000 -0.000 3/36960 320.0 3.404 4.355 4.139 0.000 0.000 -0.000 3/36960 330.0 3.307 4.229 4.011 0.000 0.000 -0.000 3/36960 340.0 3.216 4.112 3.893 0.000 0.000 -0.000 3/36960 350.0 3.133 4.004 3.783 0.000 0.000 -0.000 3/36960 360.0 3.055 3.903 3.681 0.000 0.000 -0.000 3/36960 370.0 2.982 3.809 3.585 0.000 0.000 -0.000 3/36960 380.0 2.914 3.721 3.496 0.000 0.000 -0.000 3/36960 390.0 2.849 3.637 3.412 0.000 0.000 -0.000 3/36960 400.0 2.789 3.559 3.333 0.000 0.000 -0.000 3/36960 410.0 2.731 3.485 3.258 0.000 0.000 -0.000 3/36960 420.0 2.677 3.415 3.188 0.000 0.000 -0.000 3/36960 430.0 2.625 3.348 3.121 0.000 0.000 -0.000 3/36960 440.0 2.576 3.285 3.057 0.000 0.000 -0.000 3/36960 450.0 2.529 3.225 2.997 0.000 0.000 -0.000 3/36960 460.0 2.484 3.167 2.939 0.000 0.000 -0.000 3/36960 470.0 2.441 3.111 2.884 0.000 0.000 -0.000 3/36960 480.0 2.400 3.058 2.831 0.000 0.000 -0.000 3/36960 490.0 2.360 3.007 2.780 0.000 0.000 -0.000 3/36960 500.0 2.322 2.958 2.732 0.000 0.000 -0.000 3/36960 510.0 2.285 2.911 2.685 0.000 0.000 -0.000 3/36960 520.0 2.250 2.866 2.640 0.000 0.000 -0.000 3/36960 530.0 2.216 2.822 2.597 0.000 0.000 -0.000 3/36960 540.0 2.182 2.779 2.556 0.000 0.000 -0.000 3/36960 550.0 2.150 2.738 2.515 0.000 0.000 -0.000 3/36960 560.0 2.119 2.699 2.477 0.000 0.000 -0.000 3/36960 570.0 2.089 2.660 2.439 0.000 0.000 -0.000 3/36960 580.0 2.060 2.623 2.403 0.000 0.000 -0.000 3/36960 590.0 2.032 2.587 2.367 0.000 0.000 -0.000 3/36960 600.0 2.004 2.551 2.333 0.000 0.000 -0.000 3/36960 610.0 1.977 2.517 2.300 0.000 0.000 -0.000 3/36960 620.0 1.951 2.484 2.268 0.000 0.000 -0.000 3/36960 630.0 1.926 2.452 2.237 0.000 0.000 -0.000 3/36960 640.0 1.901 2.420 2.207 0.000 0.000 -0.000 3/36960 650.0 1.877 2.389 2.177 0.000 0.000 -0.000 3/36960 660.0 1.854 2.359 2.148 0.000 0.000 -0.000 3/36960 670.0 1.831 2.330 2.121 0.000 0.000 -0.000 3/36960 680.0 1.809 2.302 2.093 0.000 0.000 -0.000 3/36960 690.0 1.787 2.274 2.067 0.000 0.000 -0.000 3/36960 700.0 1.766 2.247 2.041 0.000 0.000 -0.000 3/36960 710.0 1.745 2.220 2.016 0.000 0.000 -0.000 3/36960 720.0 1.725 2.195 1.991 0.000 0.000 -0.000 3/36960 730.0 1.705 2.169 1.967 0.000 0.000 -0.000 3/36960 740.0 1.686 2.145 1.944 0.000 0.000 -0.000 3/36960 750.0 1.667 2.120 1.921 0.000 0.000 -0.000 3/36960 760.0 1.648 2.097 1.899 0.000 0.000 -0.000 3/36960 770.0 1.630 2.074 1.877 0.000 0.000 -0.000 3/36960 780.0 1.612 2.051 1.856 0.000 0.000 -0.000 3/36960 790.0 1.595 2.029 1.835 0.000 0.000 -0.000 3/36960 800.0 1.578 2.007 1.815 0.000 0.000 -0.000 3/36960 810.0 1.561 1.986 1.795 0.000 0.000 -0.000 3/36960 820.0 1.545 1.965 1.775 0.000 0.000 -0.000 3/36960 830.0 1.529 1.945 1.756 0.000 0.000 -0.000 3/36960 840.0 1.513 1.925 1.738 0.000 0.000 -0.000 3/36960 850.0 1.498 1.905 1.719 0.000 0.000 -0.000 3/36960 860.0 1.483 1.886 1.701 0.000 0.000 -0.000 3/36960 870.0 1.468 1.867 1.684 0.000 0.000 -0.000 3/36960 880.0 1.453 1.849 1.667 0.000 0.000 -0.000 3/36960 890.0 1.439 1.831 1.650 0.000 0.000 -0.000 3/36960 900.0 1.425 1.813 1.633 0.000 0.000 -0.000 3/36960 910.0 1.411 1.795 1.617 0.000 0.000 -0.000 3/36960 920.0 1.398 1.778 1.601 0.000 0.000 -0.000 3/36960 930.0 1.385 1.761 1.586 0.000 0.000 -0.000 3/36960 940.0 1.372 1.745 1.570 0.000 0.000 -0.000 3/36960 950.0 1.359 1.729 1.555 0.000 0.000 -0.000 3/36960 960.0 1.346 1.713 1.541 0.000 0.000 -0.000 3/36960 970.0 1.334 1.697 1.526 0.000 0.000 -0.000 3/36960 980.0 1.322 1.682 1.512 0.000 0.000 -0.000 3/36960 990.0 1.310 1.667 1.498 0.000 0.000 -0.000 3/36960 1000.0 1.299 1.652 1.484 0.000 0.000 -0.000 3/36960 Thermal conductivity related properties were written into "kappa-m5811.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:30:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|