# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/79374483-1518-47ef-9bdd-332e30438013/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K2Ag(AsSe2)3 / P2_1/c (14) / materials id 541915](https://mdr.nims.go.jp/datasets/b9d48f14-a9dd-48bd-a45d-703fc1bad5d4) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 10:26:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 8------------------------------ primitive cell ------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498149320000000 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): *1 K 0.41376819707172 0.11747065379200 0.76060509559621 39.098 2 K 0.58623180292829 0.61747065379200 0.73939490440379 39.098 3 K 0.58623180292829 0.88252934620800 0.23939490440379 39.098 4 K 0.41376819707172 0.38252934620800 0.26060509559620 39.098 *5 K 0.21247424947053 0.62625310606975 0.38579202308720 39.098 6 K 0.78752575052947 0.12625310606975 0.11420797691281 39.098 7 K 0.78752575052947 0.37374689393025 0.61420797691280 39.098 8 K 0.21247424947053 0.87374689393025 0.88579202308720 39.098 *9 Ag 0.47118249863272 0.00163289257380 0.57281562456731 107.868 10 Ag 0.52881750136728 0.50163289257380 0.92718437543269 107.868 11 Ag 0.52881750136728 0.99836710742620 0.42718437543269 107.868 12 Ag 0.47118249863272 0.49836710742619 0.07281562456731 107.868 *13 As 0.77875520026787 0.91784429269404 0.65172089755902 74.922 14 As 0.22124479973213 0.41784429269404 0.84827910244098 74.922 15 As 0.22124479973213 0.08215570730596 0.34827910244098 74.922 16 As 0.77875520026787 0.58215570730596 0.15172089755902 74.922 *17 As 0.83328978998690 0.06466047899631 0.86616728451828 74.922 18 As 0.16671021001310 0.56466047899631 0.63383271548172 74.922 19 As 0.16671021001310 0.93533952100369 0.13383271548172 74.922 20 As 0.83328978998690 0.43533952100369 0.36616728451828 74.922 *21 As 0.88878072044831 0.67202083517673 0.00133988289573 74.922 22 As 0.11121927955169 0.17202083517673 0.49866011710427 74.922 23 As 0.11121927955169 0.32797916482327 0.99866011710427 74.922 24 As 0.88878072044831 0.82797916482327 0.50133988289573 74.922 *25 Se 0.96186570793420 0.76491562292553 0.66112789366936 78.960 26 Se 0.03813429206580 0.26491562292553 0.83887210633064 78.960 27 Se 0.03813429206580 0.23508437707447 0.33887210633064 78.960 28 Se 0.96186570793420 0.73508437707447 0.16112789366936 78.960 *29 Se 0.41147399410126 0.27303238222566 0.44871132256040 78.960 30 Se 0.58852600589875 0.77303238222565 0.05128867743960 78.960 31 Se 0.58852600589875 0.72696761777435 0.55128867743960 78.960 32 Se 0.41147399410126 0.22696761777434 0.94871132256040 78.960 *33 Se 0.88288800522384 0.79618061206286 0.80916879552950 78.960 34 Se 0.11711199477616 0.29618061206286 0.69083120447050 78.960 35 Se 0.11711199477616 0.20381938793714 0.19083120447050 78.960 36 Se 0.88288800522384 0.70381938793714 0.30916879552950 78.960 *37 Se 0.64868950976974 0.18984679020334 0.72340742255813 78.960 38 Se 0.35131049023026 0.68984679020334 0.77659257744187 78.960 39 Se 0.35131049023026 0.81015320979666 0.27659257744187 78.960 40 Se 0.64868950976974 0.31015320979666 0.22340742255813 78.960 *41 Se 0.71590969022047 0.90686422366099 0.91971211849901 78.960 42 Se 0.28409030977953 0.40686422366099 0.58028788150099 78.960 43 Se 0.28409030977953 0.09313577633901 0.08028788150099 78.960 44 Se 0.71590969022047 0.59313577633901 0.41971211849901 78.960 *45 Se 0.24499296354461 0.91372916018637 0.54340397808779 78.960 46 Se 0.75500703645539 0.41372916018637 0.95659602191221 78.960 47 Se 0.75500703645539 0.08627083981363 0.45659602191221 78.960 48 Se 0.24499296354461 0.58627083981363 0.04340397808779 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498149320000000 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): *1 K 0.41376819707172 0.11747065379200 0.76060509559621 39.098 > 1 2 K 0.58623180292829 0.61747065379200 0.73939490440379 39.098 > 2 3 K 0.58623180292829 0.88252934620800 0.23939490440379 39.098 > 3 4 K 0.41376819707172 0.38252934620800 0.26060509559620 39.098 > 4 *5 K 0.21247424947053 0.62625310606975 0.38579202308720 39.098 > 5 6 K 0.78752575052947 0.12625310606975 0.11420797691281 39.098 > 6 7 K 0.78752575052947 0.37374689393025 0.61420797691280 39.098 > 7 8 K 0.21247424947053 0.87374689393025 0.88579202308720 39.098 > 8 *9 Ag 0.47118249863272 0.00163289257380 0.57281562456731 107.868 > 9 10 Ag 0.52881750136728 0.50163289257380 0.92718437543269 107.868 > 10 11 Ag 0.52881750136728 0.99836710742620 0.42718437543269 107.868 > 11 12 Ag 0.47118249863272 0.49836710742619 0.07281562456731 107.868 > 12 *13 As 0.77875520026787 0.91784429269404 0.65172089755902 74.922 > 13 14 As 0.22124479973213 0.41784429269404 0.84827910244098 74.922 > 14 15 As 0.22124479973213 0.08215570730596 0.34827910244098 74.922 > 15 16 As 0.77875520026787 0.58215570730596 0.15172089755902 74.922 > 16 *17 As 0.83328978998690 0.06466047899631 0.86616728451828 74.922 > 17 18 As 0.16671021001310 0.56466047899631 0.63383271548172 74.922 > 18 19 As 0.16671021001310 0.93533952100369 0.13383271548172 74.922 > 19 20 As 0.83328978998690 0.43533952100369 0.36616728451828 74.922 > 20 *21 As 0.88878072044831 0.67202083517673 0.00133988289573 74.922 > 21 22 As 0.11121927955169 0.17202083517673 0.49866011710427 74.922 > 22 23 As 0.11121927955169 0.32797916482327 0.99866011710427 74.922 > 23 24 As 0.88878072044831 0.82797916482327 0.50133988289573 74.922 > 24 *25 Se 0.96186570793420 0.76491562292553 0.66112789366936 78.960 > 25 26 Se 0.03813429206580 0.26491562292553 0.83887210633064 78.960 > 26 27 Se 0.03813429206580 0.23508437707447 0.33887210633064 78.960 > 27 28 Se 0.96186570793420 0.73508437707447 0.16112789366936 78.960 > 28 *29 Se 0.41147399410126 0.27303238222566 0.44871132256040 78.960 > 29 30 Se 0.58852600589875 0.77303238222565 0.05128867743960 78.960 > 30 31 Se 0.58852600589875 0.72696761777435 0.55128867743960 78.960 > 31 32 Se 0.41147399410126 0.22696761777434 0.94871132256040 78.960 > 32 *33 Se 0.88288800522384 0.79618061206286 0.80916879552950 78.960 > 33 34 Se 0.11711199477616 0.29618061206286 0.69083120447050 78.960 > 34 35 Se 0.11711199477616 0.20381938793714 0.19083120447050 78.960 > 35 36 Se 0.88288800522384 0.70381938793714 0.30916879552950 78.960 > 36 *37 Se 0.64868950976974 0.18984679020334 0.72340742255813 78.960 > 37 38 Se 0.35131049023026 0.68984679020334 0.77659257744187 78.960 > 38 39 Se 0.35131049023026 0.81015320979666 0.27659257744187 78.960 > 39 40 Se 0.64868950976974 0.31015320979666 0.22340742255813 78.960 > 40 *41 Se 0.71590969022047 0.90686422366099 0.91971211849901 78.960 > 41 42 Se 0.28409030977953 0.40686422366099 0.58028788150099 78.960 > 42 43 Se 0.28409030977953 0.09313577633901 0.08028788150099 78.960 > 43 44 Se 0.71590969022047 0.59313577633901 0.41971211849901 78.960 > 44 *45 Se 0.24499296354461 0.91372916018637 0.54340397808779 78.960 > 45 46 Se 0.75500703645539 0.41372916018637 0.95659602191221 78.960 > 46 47 Se 0.75500703645539 0.08627083981363 0.45659602191221 78.960 > 47 48 Se 0.24499296354461 0.58627083981363 0.04340397808779 78.960 > 48-------------------------------- super cell --------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 14.996298639999999 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): *1 K 0.41376819707172 0.05873532689600 0.76060509559621 39.098 > 1 2 K 0.41376819707172 0.55873532689600 0.76060509559621 39.098 > 1 3 K 0.58623180292829 0.30873532689600 0.73939490440379 39.098 > 2 4 K 0.58623180292829 0.80873532689600 0.73939490440379 39.098 > 2 5 K 0.58623180292829 0.44126467310400 0.23939490440379 39.098 > 3 6 K 0.58623180292829 0.94126467310400 0.23939490440379 39.098 > 3 7 K 0.41376819707172 0.19126467310400 0.26060509559620 39.098 > 4 8 K 0.41376819707172 0.69126467310400 0.26060509559620 39.098 > 4 *9 K 0.21247424947053 0.31312655303487 0.38579202308720 39.098 > 5 10 K 0.21247424947053 0.81312655303487 0.38579202308720 39.098 > 5 11 K 0.78752575052947 0.06312655303487 0.11420797691281 39.098 > 6 12 K 0.78752575052947 0.56312655303487 0.11420797691281 39.098 > 6 13 K 0.78752575052947 0.18687344696513 0.61420797691280 39.098 > 7 14 K 0.78752575052947 0.68687344696513 0.61420797691280 39.098 > 7 15 K 0.21247424947053 0.43687344696513 0.88579202308720 39.098 > 8 16 K 0.21247424947053 0.93687344696513 0.88579202308720 39.098 > 8 *17 Ag 0.47118249863272 0.00081644628690 0.57281562456731 107.868 > 9 18 Ag 0.47118249863272 0.50081644628690 0.57281562456731 107.868 > 9 19 Ag 0.52881750136728 0.25081644628690 0.92718437543269 107.868 > 10 20 Ag 0.52881750136728 0.75081644628690 0.92718437543269 107.868 > 10 21 Ag 0.52881750136728 0.49918355371310 0.42718437543269 107.868 > 11 22 Ag 0.52881750136728 0.99918355371310 0.42718437543269 107.868 > 11 23 Ag 0.47118249863272 0.24918355371310 0.07281562456731 107.868 > 12 24 Ag 0.47118249863272 0.74918355371310 0.07281562456731 107.868 > 12 *25 As 0.77875520026787 0.45892214634702 0.65172089755902 74.922 > 13 26 As 0.77875520026787 0.95892214634702 0.65172089755902 74.922 > 13 27 As 0.22124479973213 0.20892214634702 0.84827910244098 74.922 > 14 28 As 0.22124479973213 0.70892214634702 0.84827910244098 74.922 > 14 29 As 0.22124479973213 0.04107785365298 0.34827910244098 74.922 > 15 30 As 0.22124479973213 0.54107785365298 0.34827910244098 74.922 > 15 31 As 0.77875520026787 0.29107785365298 0.15172089755902 74.922 > 16 32 As 0.77875520026787 0.79107785365298 0.15172089755902 74.922 > 16 *33 As 0.83328978998690 0.03233023949815 0.86616728451828 74.922 > 17 34 As 0.83328978998690 0.53233023949815 0.86616728451828 74.922 > 17 35 As 0.16671021001310 0.28233023949815 0.63383271548172 74.922 > 18 36 As 0.16671021001310 0.78233023949815 0.63383271548172 74.922 > 18 37 As 0.16671021001310 0.46766976050185 0.13383271548172 74.922 > 19 38 As 0.16671021001310 0.96766976050185 0.13383271548172 74.922 > 19 39 As 0.83328978998690 0.21766976050185 0.36616728451828 74.922 > 20 40 As 0.83328978998690 0.71766976050185 0.36616728451828 74.922 > 20 *41 As 0.88878072044831 0.33601041758836 0.00133988289573 74.922 > 21 42 As 0.88878072044831 0.83601041758836 0.00133988289573 74.922 > 21 43 As 0.11121927955169 0.08601041758836 0.49866011710427 74.922 > 22 44 As 0.11121927955169 0.58601041758836 0.49866011710427 74.922 > 22 45 As 0.11121927955169 0.16398958241164 0.99866011710427 74.922 > 23 46 As 0.11121927955169 0.66398958241164 0.99866011710427 74.922 > 23 47 As 0.88878072044831 0.41398958241164 0.50133988289573 74.922 > 24 48 As 0.88878072044831 0.91398958241164 0.50133988289573 74.922 > 24 *49 Se 0.96186570793420 0.38245781146276 0.66112789366936 78.960 > 25 50 Se 0.96186570793420 0.88245781146276 0.66112789366936 78.960 > 25 51 Se 0.03813429206580 0.13245781146276 0.83887210633064 78.960 > 26 52 Se 0.03813429206580 0.63245781146276 0.83887210633064 78.960 > 26 53 Se 0.03813429206580 0.11754218853724 0.33887210633064 78.960 > 27 54 Se 0.03813429206580 0.61754218853724 0.33887210633064 78.960 > 27 55 Se 0.96186570793420 0.36754218853724 0.16112789366936 78.960 > 28 56 Se 0.96186570793420 0.86754218853724 0.16112789366936 78.960 > 28 *57 Se 0.41147399410126 0.13651619111283 0.44871132256040 78.960 > 29 58 Se 0.41147399410126 0.63651619111283 0.44871132256040 78.960 > 29 59 Se 0.58852600589875 0.38651619111283 0.05128867743960 78.960 > 30 60 Se 0.58852600589875 0.88651619111283 0.05128867743960 78.960 > 30 61 Se 0.58852600589875 0.36348380888717 0.55128867743960 78.960 > 31 62 Se 0.58852600589875 0.86348380888717 0.55128867743960 78.960 > 31 63 Se 0.41147399410126 0.11348380888717 0.94871132256040 78.960 > 32 64 Se 0.41147399410126 0.61348380888717 0.94871132256040 78.960 > 32 *65 Se 0.88288800522384 0.39809030603143 0.80916879552950 78.960 > 33 66 Se 0.88288800522384 0.89809030603143 0.80916879552950 78.960 > 33 67 Se 0.11711199477616 0.14809030603143 0.69083120447050 78.960 > 34 68 Se 0.11711199477616 0.64809030603143 0.69083120447050 78.960 > 34 69 Se 0.11711199477616 0.10190969396857 0.19083120447050 78.960 > 35 70 Se 0.11711199477616 0.60190969396857 0.19083120447050 78.960 > 35 71 Se 0.88288800522384 0.35190969396857 0.30916879552950 78.960 > 36 72 Se 0.88288800522384 0.85190969396857 0.30916879552950 78.960 > 36 *73 Se 0.64868950976974 0.09492339510167 0.72340742255813 78.960 > 37 74 Se 0.64868950976974 0.59492339510167 0.72340742255813 78.960 > 37 75 Se 0.35131049023026 0.34492339510167 0.77659257744187 78.960 > 38 76 Se 0.35131049023026 0.84492339510167 0.77659257744187 78.960 > 38 77 Se 0.35131049023026 0.40507660489833 0.27659257744187 78.960 > 39 78 Se 0.35131049023026 0.90507660489833 0.27659257744187 78.960 > 39 79 Se 0.64868950976974 0.15507660489833 0.22340742255813 78.960 > 40 80 Se 0.64868950976974 0.65507660489833 0.22340742255813 78.960 > 40 *81 Se 0.71590969022047 0.45343211183050 0.91971211849901 78.960 > 41 82 Se 0.71590969022047 0.95343211183050 0.91971211849901 78.960 > 41 83 Se 0.28409030977953 0.20343211183050 0.58028788150099 78.960 > 42 84 Se 0.28409030977953 0.70343211183050 0.58028788150099 78.960 > 42 85 Se 0.28409030977953 0.04656788816950 0.08028788150099 78.960 > 43 86 Se 0.28409030977953 0.54656788816950 0.08028788150099 78.960 > 43 87 Se 0.71590969022047 0.29656788816950 0.41971211849901 78.960 > 44 88 Se 0.71590969022047 0.79656788816950 0.41971211849901 78.960 > 44 *89 Se 0.24499296354461 0.45686458009318 0.54340397808779 78.960 > 45 90 Se 0.24499296354461 0.95686458009318 0.54340397808779 78.960 > 45 91 Se 0.75500703645539 0.20686458009318 0.95659602191221 78.960 > 46 92 Se 0.75500703645539 0.70686458009318 0.95659602191221 78.960 > 46 93 Se 0.75500703645539 0.04313541990682 0.45659602191221 78.960 > 47 94 Se 0.75500703645539 0.54313541990682 0.45659602191221 78.960 > 47 95 Se 0.24499296354461 0.29313541990682 0.04340397808779 78.960 > 48 96 Se 0.24499296354461 0.79313541990682 0.04340397808779 78.960 > 48----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.7261573 0.0000000 -1.1564942 0.0000000 7.2114814 0.0000000 -1.1564954 0.0000000 8.7385135-------------------------- Born effective charges -------------------------- 1 K 1.3301833 -0.0818487 0.0258883 -0.2706055 1.2904282 -0.0447312 -0.0415499 0.0971096 1.2415300 2 K 1.3301833 0.0818487 0.0258883 0.2706055 1.2904282 0.0447312 -0.0415499 -0.0971096 1.2415300 3 K 1.3301833 -0.0818487 0.0258883 -0.2706055 1.2904282 -0.0447312 -0.0415499 0.0971096 1.2415300 4 K 1.3301833 0.0818487 0.0258883 0.2706055 1.2904282 0.0447312 -0.0415499 -0.0971096 1.2415300 5 K 1.1596062 0.0596832 0.0171055 0.1665545 1.5918915 0.1004242 0.1065288 -0.2091147 1.2936688 6 K 1.1596062 -0.0596832 0.0171055 -0.1665545 1.5918915 -0.1004242 0.1065288 0.2091147 1.2936688 7 K 1.1596062 0.0596832 0.0171055 0.1665545 1.5918915 0.1004242 0.1065288 -0.2091147 1.2936688 8 K 1.1596062 -0.0596832 0.0171055 -0.1665545 1.5918915 -0.1004242 0.1065288 0.2091147 1.2936688 9 Ag 0.9794465 -0.2446798 0.1386130 -0.0232127 0.6578808 0.0750456 -0.0127103 -0.1233296 0.8070704 10 Ag 0.9794465 0.2446798 0.1386130 0.0232127 0.6578808 -0.0750456 -0.0127103 0.1233296 0.8070704 11 Ag 0.9794465 -0.2446798 0.1386130 -0.0232127 0.6578808 0.0750456 -0.0127103 -0.1233296 0.8070704 12 Ag 0.9794465 0.2446798 0.1386130 0.0232127 0.6578808 -0.0750456 -0.0127103 0.1233296 0.8070704 13 As 3.2417926 -0.4539875 0.1489380 -0.8794582 0.7207146 0.1730386 -0.0205123 0.9145582 3.0628035 14 As 3.2417926 0.4539875 0.1489380 0.8794582 0.7207146 -0.1730386 -0.0205123 -0.9145582 3.0628035 15 As 3.2417926 -0.4539875 0.1489380 -0.8794582 0.7207146 0.1730386 -0.0205123 0.9145582 3.0628035 16 As 3.2417926 0.4539875 0.1489380 0.8794582 0.7207146 -0.1730386 -0.0205123 -0.9145582 3.0628035 17 As 1.9882666 -0.2144180 -0.8129457 0.3749150 2.3637940 0.0698335 -1.1082260 0.1173599 1.7666319 18 As 1.9882666 0.2144180 -0.8129457 -0.3749150 2.3637940 -0.0698335 -1.1082260 -0.1173599 1.7666319 19 As 1.9882666 -0.2144180 -0.8129457 0.3749150 2.3637940 0.0698335 -1.1082260 0.1173599 1.7666319 20 As 1.9882666 0.2144180 -0.8129457 -0.3749150 2.3637940 -0.0698335 -1.1082260 -0.1173599 1.7666319 21 As 0.5006923 0.9138002 -0.2732782 0.4408466 2.5675405 -0.1990711 0.7460956 -0.0195449 2.2033462 22 As 0.5006923 -0.9138002 -0.2732782 -0.4408466 2.5675405 0.1990711 0.7460956 0.0195449 2.2033462 23 As 0.5006923 0.9138002 -0.2732782 0.4408466 2.5675405 -0.1990711 0.7460956 -0.0195449 2.2033462 24 As 0.5006923 -0.9138002 -0.2732782 -0.4408466 2.5675405 0.1990711 0.7460956 0.0195449 2.2033462 25 Se -1.9445926 0.5044039 0.2038051 0.6381721 -0.9709211 0.2099637 0.4177474 0.0546523 -1.8893179 26 Se -1.9445926 -0.5044039 0.2038051 -0.6381721 -0.9709211 -0.2099637 0.4177474 -0.0546523 -1.8893179 27 Se -1.9445926 0.5044039 0.2038051 0.6381721 -0.9709211 0.2099637 0.4177474 0.0546523 -1.8893179 28 Se -1.9445926 -0.5044039 0.2038051 -0.6381721 -0.9709211 -0.2099637 0.4177474 -0.0546523 -1.8893179 29 Se -2.0919585 -0.2136577 -0.3715542 0.1673829 -1.3772812 -0.0984970 -0.3368507 -0.5331290 -1.9013965 30 Se -2.0919585 0.2136577 -0.3715542 -0.1673829 -1.3772812 0.0984970 -0.3368507 0.5331290 -1.9013965 31 Se -2.0919585 -0.2136577 -0.3715542 0.1673829 -1.3772812 -0.0984970 -0.3368507 -0.5331290 -1.9013965 32 Se -2.0919585 0.2136577 -0.3715542 -0.1673829 -1.3772812 0.0984970 -0.3368507 0.5331290 -1.9013965 33 Se -0.9866298 0.4609374 0.6734124 0.1485165 -1.0998382 -0.4505685 0.5843310 -0.4528833 -2.1804847 34 Se -0.9866298 -0.4609374 0.6734124 -0.1485165 -1.0998382 0.4505685 0.5843310 0.4528833 -2.1804847 35 Se -0.9866298 0.4609374 0.6734124 0.1485165 -1.0998382 -0.4505685 0.5843310 -0.4528833 -2.1804847 36 Se -0.9866298 -0.4609374 0.6734124 -0.1485165 -1.0998382 0.4505685 0.5843310 0.4528833 -2.1804847 37 Se -1.4793236 0.3580719 0.0566945 0.3534582 -1.4330188 0.0912631 -0.0685853 0.2482936 -1.9559362 38 Se -1.4793236 -0.3580719 0.0566945 -0.3534582 -1.4330188 -0.0912631 -0.0685853 -0.2482936 -1.9559362 39 Se -1.4793236 0.3580719 0.0566945 0.3534582 -1.4330188 0.0912631 -0.0685853 0.2482936 -1.9559362 40 Se -1.4793236 -0.3580719 0.0566945 -0.3534582 -1.4330188 -0.0912631 -0.0685853 -0.2482936 -1.9559362 41 Se -0.9351079 -0.5537271 0.2105014 0.1708365 -2.0236515 0.6293356 -0.0631950 0.8030697 -1.0683351 42 Se -0.9351079 0.5537271 0.2105014 -0.1708365 -2.0236515 -0.6293356 -0.0631950 -0.8030697 -1.0683351 43 Se -0.9351079 -0.5537271 0.2105014 0.1708365 -2.0236515 0.6293356 -0.0631950 0.8030697 -1.0683351 44 Se -0.9351079 0.5537271 0.2105014 -0.1708365 -2.0236515 -0.6293356 -0.0631950 -0.8030697 -1.0683351 45 Se -1.7623750 0.6243406 -0.0171800 0.7426859 -2.2875389 0.4560075 -0.2030733 0.5721584 -1.3795804 46 Se -1.7623750 -0.6243406 -0.0171800 -0.7426859 -2.2875389 -0.4560075 -0.2030733 -0.5721584 -1.3795804 47 Se -1.7623750 0.6243406 -0.0171800 0.7426859 -2.2875389 0.4560075 -0.2030733 0.5721584 -1.3795804 48 Se -1.7623750 -0.6243406 -0.0171800 -0.7426859 -2.2875389 -0.4560075 -0.2030733 -0.5721584 -1.3795804----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 288/288Permutation basis: 20880/20880Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 5292Number of blocks in projector: 5292Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1152Use submatrix version of eigh solver.(1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1152 / 1152(1) 128 eigenvectors found.(1) Complementary block size: 66(1) Compute compressed projector.(1) Use standard solver.(1) 42 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1152Use submatrix version of eigh solver.(1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1152 / 1152(1) 128 eigenvectors found.(1) Complementary block size: 66(1) Compute compressed projector.(1) Use standard solver.(1) 42 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1152Use submatrix version of eigh solver.(1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 481 eigenvectors found.(1) Block: 1152 / 1152(1) 143 eigenvectors found.(1) Complementary block size: 51(1) Compute compressed projector.(1) Use standard solver.(1) 28 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 612Use submatrix version of eigh solver.(1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 612 / 612(1) 100 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 612Use submatrix version of eigh solver.(1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 612 / 612(1) 100 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 612Use submatrix version of eigh solver.(1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 612 / 612(1) 100 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.Tree of FC basis block matrices:- (5292, 5185), data: False|-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True|-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True|-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True|-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True|-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True|-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 1440 - Time: 1.841Solver_block: 200 / 1440 - Time: 1.733Solver_block: 300 / 1440 - Time: 1.235Solver_block: 400 / 1440 - Time: 1.400Solver_block: 500 / 1440 - Time: 1.352Solver_block: 600 / 1440 - Time: 1.501Solver_block: 700 / 1440 - Time: 1.293Solver_block: 800 / 1440 - Time: 1.341Solver_block: 900 / 1440 - Time: 1.686Solver_block: 1000 / 1440 - Time: 1.139Solver_block: 1100 / 1440 - Time: 2.568Solver_block: 1200 / 1440 - Time: 2.897Solver_block: 1300 / 1440 - Time: 1.279Solver_block: 1400 / 1440 - Time: 1.637Solver_block: 1440 / 1440 - Time: 0.537Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.503--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288Permutation basis: 20880/20880Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 5292Number of blocks in projector: 5292Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1152Use submatrix version of eigh solver.(1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1152 / 1152(1) 128 eigenvectors found.(1) Complementary block size: 66(1) Compute compressed projector.(1) Use standard solver.(1) 42 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 1152Use submatrix version of eigh solver.(1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found.(1) 482 eigenvectors found.(1) Block: 1152 / 1152(1) 128 eigenvectors found.(1) Complementary block size: 66(1) Compute compressed projector.(1) Use standard solver.(1) 42 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 1152Use submatrix version of eigh solver.(1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 481 eigenvectors found.(1) Block: 1152 / 1152(1) 143 eigenvectors found.(1) Complementary block size: 51(1) Compute compressed projector.(1) Use standard solver.(1) 28 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 612Use submatrix version of eigh solver.(1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 612 / 612(1) 100 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 612Use submatrix version of eigh solver.(1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 612 / 612(1) 100 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 612Use submatrix version of eigh solver.(1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 612 / 612(1) 100 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.Tree of FC basis block matrices:- (5292, 5185), data: False|-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True|-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True|-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True|-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True|-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True|-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 10:27:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:27:51]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498149320000000 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): 1 K 0.41376819707172 0.11747065379200 0.76060509559621 39.098 2 K 0.58623180292829 0.61747065379200 0.73939490440379 39.098 3 K 0.58623180292829 0.88252934620800 0.23939490440379 39.098 4 K 0.41376819707172 0.38252934620800 0.26060509559620 39.098 5 K 0.21247424947053 0.62625310606975 0.38579202308720 39.098 6 K 0.78752575052947 0.12625310606975 0.11420797691281 39.098 7 K 0.78752575052947 0.37374689393025 0.61420797691280 39.098 8 K 0.21247424947053 0.87374689393025 0.88579202308720 39.098 9 Ag 0.47118249863272 0.00163289257380 0.57281562456731 107.868 10 Ag 0.52881750136728 0.50163289257380 0.92718437543269 107.868 11 Ag 0.52881750136728 0.99836710742620 0.42718437543269 107.868 12 Ag 0.47118249863272 0.49836710742619 0.07281562456731 107.868 13 As 0.77875520026787 0.91784429269404 0.65172089755902 74.922 14 As 0.22124479973213 0.41784429269404 0.84827910244098 74.922 15 As 0.22124479973213 0.08215570730596 0.34827910244098 74.922 16 As 0.77875520026787 0.58215570730596 0.15172089755902 74.922 17 As 0.83328978998690 0.06466047899631 0.86616728451828 74.922 18 As 0.16671021001310 0.56466047899631 0.63383271548172 74.922 19 As 0.16671021001310 0.93533952100369 0.13383271548172 74.922 20 As 0.83328978998690 0.43533952100369 0.36616728451828 74.922 21 As 0.88878072044831 0.67202083517673 0.00133988289573 74.922 22 As 0.11121927955169 0.17202083517673 0.49866011710427 74.922 23 As 0.11121927955169 0.32797916482327 0.99866011710427 74.922 24 As 0.88878072044831 0.82797916482327 0.50133988289573 74.922 25 Se 0.96186570793420 0.76491562292553 0.66112789366936 78.960 26 Se 0.03813429206580 0.26491562292553 0.83887210633064 78.960 27 Se 0.03813429206580 0.23508437707447 0.33887210633064 78.960 28 Se 0.96186570793420 0.73508437707447 0.16112789366936 78.960 29 Se 0.41147399410126 0.27303238222566 0.44871132256040 78.960 30 Se 0.58852600589875 0.77303238222565 0.05128867743960 78.960 31 Se 0.58852600589875 0.72696761777435 0.55128867743960 78.960 32 Se 0.41147399410126 0.22696761777434 0.94871132256040 78.960 33 Se 0.88288800522384 0.79618061206286 0.80916879552950 78.960 34 Se 0.11711199477616 0.29618061206286 0.69083120447050 78.960 35 Se 0.11711199477616 0.20381938793714 0.19083120447050 78.960 36 Se 0.88288800522384 0.70381938793714 0.30916879552950 78.960 37 Se 0.64868950976974 0.18984679020334 0.72340742255813 78.960 38 Se 0.35131049023026 0.68984679020334 0.77659257744187 78.960 39 Se 0.35131049023026 0.81015320979666 0.27659257744187 78.960 40 Se 0.64868950976974 0.31015320979666 0.22340742255813 78.960 41 Se 0.71590969022047 0.90686422366099 0.91971211849901 78.960 42 Se 0.28409030977953 0.40686422366099 0.58028788150099 78.960 43 Se 0.28409030977953 0.09313577633901 0.08028788150099 78.960 44 Se 0.71590969022047 0.59313577633901 0.41971211849901 78.960 45 Se 0.24499296354461 0.91372916018637 0.54340397808779 78.960 46 Se 0.75500703645539 0.41372916018637 0.95659602191221 78.960 47 Se 0.75500703645539 0.08627083981363 0.45659602191221 78.960 48 Se 0.24499296354461 0.58627083981363 0.04340397808779 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 14.996298639999999 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): 1 K 0.41376819707172 0.05873532689600 0.76060509559621 39.098 > 1 2 K 0.41376819707172 0.55873532689600 0.76060509559621 39.098 > 1 3 K 0.58623180292829 0.30873532689600 0.73939490440379 39.098 > 3 4 K 0.58623180292829 0.80873532689600 0.73939490440379 39.098 > 3 5 K 0.58623180292829 0.44126467310400 0.23939490440379 39.098 > 5 6 K 0.58623180292829 0.94126467310400 0.23939490440379 39.098 > 5 7 K 0.41376819707172 0.19126467310400 0.26060509559620 39.098 > 7 8 K 0.41376819707172 0.69126467310400 0.26060509559620 39.098 > 7 9 K 0.21247424947053 0.31312655303487 0.38579202308720 39.098 > 9 10 K 0.21247424947053 0.81312655303487 0.38579202308720 39.098 > 9 11 K 0.78752575052947 0.06312655303487 0.11420797691281 39.098 > 11 12 K 0.78752575052947 0.56312655303487 0.11420797691281 39.098 > 11 13 K 0.78752575052947 0.18687344696513 0.61420797691280 39.098 > 13 14 K 0.78752575052947 0.68687344696513 0.61420797691280 39.098 > 13 15 K 0.21247424947053 0.43687344696513 0.88579202308720 39.098 > 15 16 K 0.21247424947053 0.93687344696513 0.88579202308720 39.098 > 15 17 Ag 0.47118249863272 0.00081644628690 0.57281562456731 107.868 > 17 18 Ag 0.47118249863272 0.50081644628690 0.57281562456731 107.868 > 17 19 Ag 0.52881750136728 0.25081644628690 0.92718437543269 107.868 > 19 20 Ag 0.52881750136728 0.75081644628690 0.92718437543269 107.868 > 19 21 Ag 0.52881750136728 0.49918355371310 0.42718437543269 107.868 > 21 22 Ag 0.52881750136728 0.99918355371310 0.42718437543269 107.868 > 21 23 Ag 0.47118249863272 0.24918355371310 0.07281562456731 107.868 > 23 24 Ag 0.47118249863272 0.74918355371310 0.07281562456731 107.868 > 23 25 As 0.77875520026787 0.45892214634702 0.65172089755902 74.922 > 25 26 As 0.77875520026787 0.95892214634702 0.65172089755902 74.922 > 25 27 As 0.22124479973213 0.20892214634702 0.84827910244098 74.922 > 27 28 As 0.22124479973213 0.70892214634702 0.84827910244098 74.922 > 27 29 As 0.22124479973213 0.04107785365298 0.34827910244098 74.922 > 29 30 As 0.22124479973213 0.54107785365298 0.34827910244098 74.922 > 29 31 As 0.77875520026787 0.29107785365298 0.15172089755902 74.922 > 31 32 As 0.77875520026787 0.79107785365298 0.15172089755902 74.922 > 31 33 As 0.83328978998690 0.03233023949815 0.86616728451828 74.922 > 33 34 As 0.83328978998690 0.53233023949815 0.86616728451828 74.922 > 33 35 As 0.16671021001310 0.28233023949815 0.63383271548172 74.922 > 35 36 As 0.16671021001310 0.78233023949815 0.63383271548172 74.922 > 35 37 As 0.16671021001310 0.46766976050185 0.13383271548172 74.922 > 37 38 As 0.16671021001310 0.96766976050185 0.13383271548172 74.922 > 37 39 As 0.83328978998690 0.21766976050185 0.36616728451828 74.922 > 39 40 As 0.83328978998690 0.71766976050185 0.36616728451828 74.922 > 39 41 As 0.88878072044831 0.33601041758836 0.00133988289573 74.922 > 41 42 As 0.88878072044831 0.83601041758836 0.00133988289573 74.922 > 41 43 As 0.11121927955169 0.08601041758836 0.49866011710427 74.922 > 43 44 As 0.11121927955169 0.58601041758836 0.49866011710427 74.922 > 43 45 As 0.11121927955169 0.16398958241164 0.99866011710427 74.922 > 45 46 As 0.11121927955169 0.66398958241164 0.99866011710427 74.922 > 45 47 As 0.88878072044831 0.41398958241164 0.50133988289573 74.922 > 47 48 As 0.88878072044831 0.91398958241164 0.50133988289573 74.922 > 47 49 Se 0.96186570793420 0.38245781146276 0.66112789366936 78.960 > 49 50 Se 0.96186570793420 0.88245781146276 0.66112789366936 78.960 > 49 51 Se 0.03813429206580 0.13245781146276 0.83887210633064 78.960 > 51 52 Se 0.03813429206580 0.63245781146276 0.83887210633064 78.960 > 51 53 Se 0.03813429206580 0.11754218853724 0.33887210633064 78.960 > 53 54 Se 0.03813429206580 0.61754218853724 0.33887210633064 78.960 > 53 55 Se 0.96186570793420 0.36754218853724 0.16112789366936 78.960 > 55 56 Se 0.96186570793420 0.86754218853724 0.16112789366936 78.960 > 55 57 Se 0.41147399410126 0.13651619111283 0.44871132256040 78.960 > 57 58 Se 0.41147399410126 0.63651619111283 0.44871132256040 78.960 > 57 59 Se 0.58852600589875 0.38651619111283 0.05128867743960 78.960 > 59 60 Se 0.58852600589875 0.88651619111283 0.05128867743960 78.960 > 59 61 Se 0.58852600589875 0.36348380888717 0.55128867743960 78.960 > 61 62 Se 0.58852600589875 0.86348380888717 0.55128867743960 78.960 > 61 63 Se 0.41147399410126 0.11348380888717 0.94871132256040 78.960 > 63 64 Se 0.41147399410126 0.61348380888717 0.94871132256040 78.960 > 63 65 Se 0.88288800522384 0.39809030603143 0.80916879552950 78.960 > 65 66 Se 0.88288800522384 0.89809030603143 0.80916879552950 78.960 > 65 67 Se 0.11711199477616 0.14809030603143 0.69083120447050 78.960 > 67 68 Se 0.11711199477616 0.64809030603143 0.69083120447050 78.960 > 67 69 Se 0.11711199477616 0.10190969396857 0.19083120447050 78.960 > 69 70 Se 0.11711199477616 0.60190969396857 0.19083120447050 78.960 > 69 71 Se 0.88288800522384 0.35190969396857 0.30916879552950 78.960 > 71 72 Se 0.88288800522384 0.85190969396857 0.30916879552950 78.960 > 71 73 Se 0.64868950976974 0.09492339510167 0.72340742255813 78.960 > 73 74 Se 0.64868950976974 0.59492339510167 0.72340742255813 78.960 > 73 75 Se 0.35131049023026 0.34492339510167 0.77659257744187 78.960 > 75 76 Se 0.35131049023026 0.84492339510167 0.77659257744187 78.960 > 75 77 Se 0.35131049023026 0.40507660489833 0.27659257744187 78.960 > 77 78 Se 0.35131049023026 0.90507660489833 0.27659257744187 78.960 > 77 79 Se 0.64868950976974 0.15507660489833 0.22340742255813 78.960 > 79 80 Se 0.64868950976974 0.65507660489833 0.22340742255813 78.960 > 79 81 Se 0.71590969022047 0.45343211183050 0.91971211849901 78.960 > 81 82 Se 0.71590969022047 0.95343211183050 0.91971211849901 78.960 > 81 83 Se 0.28409030977953 0.20343211183050 0.58028788150099 78.960 > 83 84 Se 0.28409030977953 0.70343211183050 0.58028788150099 78.960 > 83 85 Se 0.28409030977953 0.04656788816950 0.08028788150099 78.960 > 85 86 Se 0.28409030977953 0.54656788816950 0.08028788150099 78.960 > 85 87 Se 0.71590969022047 0.29656788816950 0.41971211849901 78.960 > 87 88 Se 0.71590969022047 0.79656788816950 0.41971211849901 78.960 > 87 89 Se 0.24499296354461 0.45686458009318 0.54340397808779 78.960 > 89 90 Se 0.24499296354461 0.95686458009318 0.54340397808779 78.960 > 89 91 Se 0.75500703645539 0.20686458009318 0.95659602191221 78.960 > 91 92 Se 0.75500703645539 0.70686458009318 0.95659602191221 78.960 > 91 93 Se 0.75500703645539 0.04313541990682 0.45659602191221 78.960 > 93 94 Se 0.75500703645539 0.54313541990682 0.45659602191221 78.960 > 93 95 Se 0.24499296354461 0.29313541990682 0.04340397808779 78.960 > 95 96 Se 0.24499296354461 0.79313541990682 0.04340397808779 78.960 > 95----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.7261573 0.0000000 -1.1564942 0.0000000 7.2114814 0.0000000 -1.1564954 0.0000000 8.7385135-------------------------- Born effective charges -------------------------- 1 K 1.3301833 -0.0818487 0.0258883 -0.2706055 1.2904282 -0.0447312 -0.0415499 0.0971096 1.2415300 2 K 1.3301833 0.0818487 0.0258883 0.2706055 1.2904282 0.0447312 -0.0415499 -0.0971096 1.2415300 3 K 1.3301833 -0.0818487 0.0258883 -0.2706055 1.2904282 -0.0447312 -0.0415499 0.0971096 1.2415300 4 K 1.3301833 0.0818487 0.0258883 0.2706055 1.2904282 0.0447312 -0.0415499 -0.0971096 1.2415300 5 K 1.1596062 0.0596832 0.0171055 0.1665545 1.5918915 0.1004242 0.1065288 -0.2091147 1.2936688 6 K 1.1596062 -0.0596832 0.0171055 -0.1665545 1.5918915 -0.1004242 0.1065288 0.2091147 1.2936688 7 K 1.1596062 0.0596832 0.0171055 0.1665545 1.5918915 0.1004242 0.1065288 -0.2091147 1.2936688 8 K 1.1596062 -0.0596832 0.0171055 -0.1665545 1.5918915 -0.1004242 0.1065288 0.2091147 1.2936688 9 Ag 0.9794465 -0.2446798 0.1386130 -0.0232127 0.6578808 0.0750456 -0.0127103 -0.1233296 0.8070704 10 Ag 0.9794465 0.2446798 0.1386130 0.0232127 0.6578808 -0.0750456 -0.0127103 0.1233296 0.8070704 11 Ag 0.9794465 -0.2446798 0.1386130 -0.0232127 0.6578808 0.0750456 -0.0127103 -0.1233296 0.8070704 12 Ag 0.9794465 0.2446798 0.1386130 0.0232127 0.6578808 -0.0750456 -0.0127103 0.1233296 0.8070704 13 As 3.2417926 -0.4539875 0.1489380 -0.8794582 0.7207146 0.1730386 -0.0205123 0.9145582 3.0628035 14 As 3.2417926 0.4539875 0.1489380 0.8794582 0.7207146 -0.1730386 -0.0205123 -0.9145582 3.0628035 15 As 3.2417926 -0.4539875 0.1489380 -0.8794582 0.7207146 0.1730386 -0.0205123 0.9145582 3.0628035 16 As 3.2417926 0.4539875 0.1489380 0.8794582 0.7207146 -0.1730386 -0.0205123 -0.9145582 3.0628035 17 As 1.9882666 -0.2144180 -0.8129457 0.3749150 2.3637940 0.0698335 -1.1082260 0.1173599 1.7666319 18 As 1.9882666 0.2144180 -0.8129457 -0.3749150 2.3637940 -0.0698335 -1.1082260 -0.1173599 1.7666319 19 As 1.9882666 -0.2144180 -0.8129457 0.3749150 2.3637940 0.0698335 -1.1082260 0.1173599 1.7666319 20 As 1.9882666 0.2144180 -0.8129457 -0.3749150 2.3637940 -0.0698335 -1.1082260 -0.1173599 1.7666319 21 As 0.5006923 0.9138002 -0.2732782 0.4408466 2.5675405 -0.1990711 0.7460956 -0.0195449 2.2033462 22 As 0.5006923 -0.9138002 -0.2732782 -0.4408466 2.5675405 0.1990711 0.7460956 0.0195449 2.2033462 23 As 0.5006923 0.9138002 -0.2732782 0.4408466 2.5675405 -0.1990711 0.7460956 -0.0195449 2.2033462 24 As 0.5006923 -0.9138002 -0.2732782 -0.4408466 2.5675405 0.1990711 0.7460956 0.0195449 2.2033462 25 Se -1.9445926 0.5044039 0.2038051 0.6381721 -0.9709211 0.2099637 0.4177474 0.0546523 -1.8893179 26 Se -1.9445926 -0.5044039 0.2038051 -0.6381721 -0.9709211 -0.2099637 0.4177474 -0.0546523 -1.8893179 27 Se -1.9445926 0.5044039 0.2038051 0.6381721 -0.9709211 0.2099637 0.4177474 0.0546523 -1.8893179 28 Se -1.9445926 -0.5044039 0.2038051 -0.6381721 -0.9709211 -0.2099637 0.4177474 -0.0546523 -1.8893179 29 Se -2.0919585 -0.2136577 -0.3715542 0.1673829 -1.3772812 -0.0984970 -0.3368507 -0.5331290 -1.9013965 30 Se -2.0919585 0.2136577 -0.3715542 -0.1673829 -1.3772812 0.0984970 -0.3368507 0.5331290 -1.9013965 31 Se -2.0919585 -0.2136577 -0.3715542 0.1673829 -1.3772812 -0.0984970 -0.3368507 -0.5331290 -1.9013965 32 Se -2.0919585 0.2136577 -0.3715542 -0.1673829 -1.3772812 0.0984970 -0.3368507 0.5331290 -1.9013965 33 Se -0.9866298 0.4609374 0.6734124 0.1485165 -1.0998382 -0.4505685 0.5843310 -0.4528833 -2.1804847 34 Se -0.9866298 -0.4609374 0.6734124 -0.1485165 -1.0998382 0.4505685 0.5843310 0.4528833 -2.1804847 35 Se -0.9866298 0.4609374 0.6734124 0.1485165 -1.0998382 -0.4505685 0.5843310 -0.4528833 -2.1804847 36 Se -0.9866298 -0.4609374 0.6734124 -0.1485165 -1.0998382 0.4505685 0.5843310 0.4528833 -2.1804847 37 Se -1.4793236 0.3580719 0.0566945 0.3534582 -1.4330188 0.0912631 -0.0685853 0.2482936 -1.9559362 38 Se -1.4793236 -0.3580719 0.0566945 -0.3534582 -1.4330188 -0.0912631 -0.0685853 -0.2482936 -1.9559362 39 Se -1.4793236 0.3580719 0.0566945 0.3534582 -1.4330188 0.0912631 -0.0685853 0.2482936 -1.9559362 40 Se -1.4793236 -0.3580719 0.0566945 -0.3534582 -1.4330188 -0.0912631 -0.0685853 -0.2482936 -1.9559362 41 Se -0.9351079 -0.5537271 0.2105014 0.1708365 -2.0236515 0.6293356 -0.0631950 0.8030697 -1.0683351 42 Se -0.9351079 0.5537271 0.2105014 -0.1708365 -2.0236515 -0.6293356 -0.0631950 -0.8030697 -1.0683351 43 Se -0.9351079 -0.5537271 0.2105014 0.1708365 -2.0236515 0.6293356 -0.0631950 0.8030697 -1.0683351 44 Se -0.9351079 0.5537271 0.2105014 -0.1708365 -2.0236515 -0.6293356 -0.0631950 -0.8030697 -1.0683351 45 Se -1.7623750 0.6243406 -0.0171800 0.7426859 -2.2875389 0.4560075 -0.2030733 0.5721584 -1.3795804 46 Se -1.7623750 -0.6243406 -0.0171800 -0.7426859 -2.2875389 -0.4560075 -0.2030733 -0.5721584 -1.3795804 47 Se -1.7623750 0.6243406 -0.0171800 0.7426859 -2.2875389 0.4560075 -0.2030733 0.5721584 -1.3795804 48 Se -1.7623750 -0.6243406 -0.0171800 -0.7426859 -2.2875389 -0.4560075 -0.2030733 -0.5721584 -1.3795804----------------------------------------------------------------------------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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 9, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 41, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Computing fc3[ 89, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:28:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:28:37]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 7.498149320000000 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): 1 K 0.41376819707172 0.11747065379200 0.76060509559621 39.098 2 K 0.58623180292829 0.61747065379200 0.73939490440379 39.098 3 K 0.58623180292829 0.88252934620800 0.23939490440379 39.098 4 K 0.41376819707172 0.38252934620800 0.26060509559620 39.098 5 K 0.21247424947053 0.62625310606975 0.38579202308720 39.098 6 K 0.78752575052947 0.12625310606975 0.11420797691281 39.098 7 K 0.78752575052947 0.37374689393025 0.61420797691280 39.098 8 K 0.21247424947053 0.87374689393025 0.88579202308720 39.098 9 Ag 0.47118249863272 0.00163289257380 0.57281562456731 107.868 10 Ag 0.52881750136728 0.50163289257380 0.92718437543269 107.868 11 Ag 0.52881750136728 0.99836710742620 0.42718437543269 107.868 12 Ag 0.47118249863272 0.49836710742619 0.07281562456731 107.868 13 As 0.77875520026787 0.91784429269404 0.65172089755902 74.922 14 As 0.22124479973213 0.41784429269404 0.84827910244098 74.922 15 As 0.22124479973213 0.08215570730596 0.34827910244098 74.922 16 As 0.77875520026787 0.58215570730596 0.15172089755902 74.922 17 As 0.83328978998690 0.06466047899631 0.86616728451828 74.922 18 As 0.16671021001310 0.56466047899631 0.63383271548172 74.922 19 As 0.16671021001310 0.93533952100369 0.13383271548172 74.922 20 As 0.83328978998690 0.43533952100369 0.36616728451828 74.922 21 As 0.88878072044831 0.67202083517673 0.00133988289573 74.922 22 As 0.11121927955169 0.17202083517673 0.49866011710427 74.922 23 As 0.11121927955169 0.32797916482327 0.99866011710427 74.922 24 As 0.88878072044831 0.82797916482327 0.50133988289573 74.922 25 Se 0.96186570793420 0.76491562292553 0.66112789366936 78.960 26 Se 0.03813429206580 0.26491562292553 0.83887210633064 78.960 27 Se 0.03813429206580 0.23508437707447 0.33887210633064 78.960 28 Se 0.96186570793420 0.73508437707447 0.16112789366936 78.960 29 Se 0.41147399410126 0.27303238222566 0.44871132256040 78.960 30 Se 0.58852600589875 0.77303238222565 0.05128867743960 78.960 31 Se 0.58852600589875 0.72696761777435 0.55128867743960 78.960 32 Se 0.41147399410126 0.22696761777434 0.94871132256040 78.960 33 Se 0.88288800522384 0.79618061206286 0.80916879552950 78.960 34 Se 0.11711199477616 0.29618061206286 0.69083120447050 78.960 35 Se 0.11711199477616 0.20381938793714 0.19083120447050 78.960 36 Se 0.88288800522384 0.70381938793714 0.30916879552950 78.960 37 Se 0.64868950976974 0.18984679020334 0.72340742255813 78.960 38 Se 0.35131049023026 0.68984679020334 0.77659257744187 78.960 39 Se 0.35131049023026 0.81015320979666 0.27659257744187 78.960 40 Se 0.64868950976974 0.31015320979666 0.22340742255813 78.960 41 Se 0.71590969022047 0.90686422366099 0.91971211849901 78.960 42 Se 0.28409030977953 0.40686422366099 0.58028788150099 78.960 43 Se 0.28409030977953 0.09313577633901 0.08028788150099 78.960 44 Se 0.71590969022047 0.59313577633901 0.41971211849901 78.960 45 Se 0.24499296354461 0.91372916018637 0.54340397808779 78.960 46 Se 0.75500703645539 0.41372916018637 0.95659602191221 78.960 47 Se 0.75500703645539 0.08627083981363 0.45659602191221 78.960 48 Se 0.24499296354461 0.58627083981363 0.04340397808779 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 12.346902850036033 0.000000000000000 0.000000000000000 b 0.000000000000000 14.996298639999999 0.000000000000000 c -10.524057934224137 0.000000000000000 14.178783636065379Atomic positions (fractional): 1 K 0.41376819707172 0.05873532689600 0.76060509559621 39.098 > 1 2 K 0.41376819707172 0.55873532689600 0.76060509559621 39.098 > 1 3 K 0.58623180292829 0.30873532689600 0.73939490440379 39.098 > 3 4 K 0.58623180292829 0.80873532689600 0.73939490440379 39.098 > 3 5 K 0.58623180292829 0.44126467310400 0.23939490440379 39.098 > 5 6 K 0.58623180292829 0.94126467310400 0.23939490440379 39.098 > 5 7 K 0.41376819707172 0.19126467310400 0.26060509559620 39.098 > 7 8 K 0.41376819707172 0.69126467310400 0.26060509559620 39.098 > 7 9 K 0.21247424947053 0.31312655303487 0.38579202308720 39.098 > 9 10 K 0.21247424947053 0.81312655303487 0.38579202308720 39.098 > 9 11 K 0.78752575052947 0.06312655303487 0.11420797691281 39.098 > 11 12 K 0.78752575052947 0.56312655303487 0.11420797691281 39.098 > 11 13 K 0.78752575052947 0.18687344696513 0.61420797691280 39.098 > 13 14 K 0.78752575052947 0.68687344696513 0.61420797691280 39.098 > 13 15 K 0.21247424947053 0.43687344696513 0.88579202308720 39.098 > 15 16 K 0.21247424947053 0.93687344696513 0.88579202308720 39.098 > 15 17 Ag 0.47118249863272 0.00081644628690 0.57281562456731 107.868 > 17 18 Ag 0.47118249863272 0.50081644628690 0.57281562456731 107.868 > 17 19 Ag 0.52881750136728 0.25081644628690 0.92718437543269 107.868 > 19 20 Ag 0.52881750136728 0.75081644628690 0.92718437543269 107.868 > 19 21 Ag 0.52881750136728 0.49918355371310 0.42718437543269 107.868 > 21 22 Ag 0.52881750136728 0.99918355371310 0.42718437543269 107.868 > 21 23 Ag 0.47118249863272 0.24918355371310 0.07281562456731 107.868 > 23 24 Ag 0.47118249863272 0.74918355371310 0.07281562456731 107.868 > 23 25 As 0.77875520026787 0.45892214634702 0.65172089755902 74.922 > 25 26 As 0.77875520026787 0.95892214634702 0.65172089755902 74.922 > 25 27 As 0.22124479973213 0.20892214634702 0.84827910244098 74.922 > 27 28 As 0.22124479973213 0.70892214634702 0.84827910244098 74.922 > 27 29 As 0.22124479973213 0.04107785365298 0.34827910244098 74.922 > 29 30 As 0.22124479973213 0.54107785365298 0.34827910244098 74.922 > 29 31 As 0.77875520026787 0.29107785365298 0.15172089755902 74.922 > 31 32 As 0.77875520026787 0.79107785365298 0.15172089755902 74.922 > 31 33 As 0.83328978998690 0.03233023949815 0.86616728451828 74.922 > 33 34 As 0.83328978998690 0.53233023949815 0.86616728451828 74.922 > 33 35 As 0.16671021001310 0.28233023949815 0.63383271548172 74.922 > 35 36 As 0.16671021001310 0.78233023949815 0.63383271548172 74.922 > 35 37 As 0.16671021001310 0.46766976050185 0.13383271548172 74.922 > 37 38 As 0.16671021001310 0.96766976050185 0.13383271548172 74.922 > 37 39 As 0.83328978998690 0.21766976050185 0.36616728451828 74.922 > 39 40 As 0.83328978998690 0.71766976050185 0.36616728451828 74.922 > 39 41 As 0.88878072044831 0.33601041758836 0.00133988289573 74.922 > 41 42 As 0.88878072044831 0.83601041758836 0.00133988289573 74.922 > 41 43 As 0.11121927955169 0.08601041758836 0.49866011710427 74.922 > 43 44 As 0.11121927955169 0.58601041758836 0.49866011710427 74.922 > 43 45 As 0.11121927955169 0.16398958241164 0.99866011710427 74.922 > 45 46 As 0.11121927955169 0.66398958241164 0.99866011710427 74.922 > 45 47 As 0.88878072044831 0.41398958241164 0.50133988289573 74.922 > 47 48 As 0.88878072044831 0.91398958241164 0.50133988289573 74.922 > 47 49 Se 0.96186570793420 0.38245781146276 0.66112789366936 78.960 > 49 50 Se 0.96186570793420 0.88245781146276 0.66112789366936 78.960 > 49 51 Se 0.03813429206580 0.13245781146276 0.83887210633064 78.960 > 51 52 Se 0.03813429206580 0.63245781146276 0.83887210633064 78.960 > 51 53 Se 0.03813429206580 0.11754218853724 0.33887210633064 78.960 > 53 54 Se 0.03813429206580 0.61754218853724 0.33887210633064 78.960 > 53 55 Se 0.96186570793420 0.36754218853724 0.16112789366936 78.960 > 55 56 Se 0.96186570793420 0.86754218853724 0.16112789366936 78.960 > 55 57 Se 0.41147399410126 0.13651619111283 0.44871132256040 78.960 > 57 58 Se 0.41147399410126 0.63651619111283 0.44871132256040 78.960 > 57 59 Se 0.58852600589875 0.38651619111283 0.05128867743960 78.960 > 59 60 Se 0.58852600589875 0.88651619111283 0.05128867743960 78.960 > 59 61 Se 0.58852600589875 0.36348380888717 0.55128867743960 78.960 > 61 62 Se 0.58852600589875 0.86348380888717 0.55128867743960 78.960 > 61 63 Se 0.41147399410126 0.11348380888717 0.94871132256040 78.960 > 63 64 Se 0.41147399410126 0.61348380888717 0.94871132256040 78.960 > 63 65 Se 0.88288800522384 0.39809030603143 0.80916879552950 78.960 > 65 66 Se 0.88288800522384 0.89809030603143 0.80916879552950 78.960 > 65 67 Se 0.11711199477616 0.14809030603143 0.69083120447050 78.960 > 67 68 Se 0.11711199477616 0.64809030603143 0.69083120447050 78.960 > 67 69 Se 0.11711199477616 0.10190969396857 0.19083120447050 78.960 > 69 70 Se 0.11711199477616 0.60190969396857 0.19083120447050 78.960 > 69 71 Se 0.88288800522384 0.35190969396857 0.30916879552950 78.960 > 71 72 Se 0.88288800522384 0.85190969396857 0.30916879552950 78.960 > 71 73 Se 0.64868950976974 0.09492339510167 0.72340742255813 78.960 > 73 74 Se 0.64868950976974 0.59492339510167 0.72340742255813 78.960 > 73 75 Se 0.35131049023026 0.34492339510167 0.77659257744187 78.960 > 75 76 Se 0.35131049023026 0.84492339510167 0.77659257744187 78.960 > 75 77 Se 0.35131049023026 0.40507660489833 0.27659257744187 78.960 > 77 78 Se 0.35131049023026 0.90507660489833 0.27659257744187 78.960 > 77 79 Se 0.64868950976974 0.15507660489833 0.22340742255813 78.960 > 79 80 Se 0.64868950976974 0.65507660489833 0.22340742255813 78.960 > 79 81 Se 0.71590969022047 0.45343211183050 0.91971211849901 78.960 > 81 82 Se 0.71590969022047 0.95343211183050 0.91971211849901 78.960 > 81 83 Se 0.28409030977953 0.20343211183050 0.58028788150099 78.960 > 83 84 Se 0.28409030977953 0.70343211183050 0.58028788150099 78.960 > 83 85 Se 0.28409030977953 0.04656788816950 0.08028788150099 78.960 > 85 86 Se 0.28409030977953 0.54656788816950 0.08028788150099 78.960 > 85 87 Se 0.71590969022047 0.29656788816950 0.41971211849901 78.960 > 87 88 Se 0.71590969022047 0.79656788816950 0.41971211849901 78.960 > 87 89 Se 0.24499296354461 0.45686458009318 0.54340397808779 78.960 > 89 90 Se 0.24499296354461 0.95686458009318 0.54340397808779 78.960 > 89 91 Se 0.75500703645539 0.20686458009318 0.95659602191221 78.960 > 91 92 Se 0.75500703645539 0.70686458009318 0.95659602191221 78.960 > 91 93 Se 0.75500703645539 0.04313541990682 0.45659602191221 78.960 > 93 94 Se 0.75500703645539 0.54313541990682 0.45659602191221 78.960 > 93 95 Se 0.24499296354461 0.29313541990682 0.04340397808779 78.960 > 95 96 Se 0.24499296354461 0.79313541990682 0.04340397808779 78.960 > 95----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.7261573 0.0000000 -1.1564942 0.0000000 7.2114814 0.0000000 -1.1564954 0.0000000 8.7385135-------------------------- Born effective charges -------------------------- 1 K 1.3301833 -0.0818487 0.0258883 -0.2706055 1.2904282 -0.0447312 -0.0415499 0.0971096 1.2415300 2 K 1.3301833 0.0818487 0.0258883 0.2706055 1.2904282 0.0447312 -0.0415499 -0.0971096 1.2415300 3 K 1.3301833 -0.0818487 0.0258883 -0.2706055 1.2904282 -0.0447312 -0.0415499 0.0971096 1.2415300 4 K 1.3301833 0.0818487 0.0258883 0.2706055 1.2904282 0.0447312 -0.0415499 -0.0971096 1.2415300 5 K 1.1596062 0.0596832 0.0171055 0.1665545 1.5918915 0.1004242 0.1065288 -0.2091147 1.2936688 6 K 1.1596062 -0.0596832 0.0171055 -0.1665545 1.5918915 -0.1004242 0.1065288 0.2091147 1.2936688 7 K 1.1596062 0.0596832 0.0171055 0.1665545 1.5918915 0.1004242 0.1065288 -0.2091147 1.2936688 8 K 1.1596062 -0.0596832 0.0171055 -0.1665545 1.5918915 -0.1004242 0.1065288 0.2091147 1.2936688 9 Ag 0.9794465 -0.2446798 0.1386130 -0.0232127 0.6578808 0.0750456 -0.0127103 -0.1233296 0.8070704 10 Ag 0.9794465 0.2446798 0.1386130 0.0232127 0.6578808 -0.0750456 -0.0127103 0.1233296 0.8070704 11 Ag 0.9794465 -0.2446798 0.1386130 -0.0232127 0.6578808 0.0750456 -0.0127103 -0.1233296 0.8070704 12 Ag 0.9794465 0.2446798 0.1386130 0.0232127 0.6578808 -0.0750456 -0.0127103 0.1233296 0.8070704 13 As 3.2417926 -0.4539875 0.1489380 -0.8794582 0.7207146 0.1730386 -0.0205123 0.9145582 3.0628035 14 As 3.2417926 0.4539875 0.1489380 0.8794582 0.7207146 -0.1730386 -0.0205123 -0.9145582 3.0628035 15 As 3.2417926 -0.4539875 0.1489380 -0.8794582 0.7207146 0.1730386 -0.0205123 0.9145582 3.0628035 16 As 3.2417926 0.4539875 0.1489380 0.8794582 0.7207146 -0.1730386 -0.0205123 -0.9145582 3.0628035 17 As 1.9882666 -0.2144180 -0.8129457 0.3749150 2.3637940 0.0698335 -1.1082260 0.1173599 1.7666319 18 As 1.9882666 0.2144180 -0.8129457 -0.3749150 2.3637940 -0.0698335 -1.1082260 -0.1173599 1.7666319 19 As 1.9882666 -0.2144180 -0.8129457 0.3749150 2.3637940 0.0698335 -1.1082260 0.1173599 1.7666319 20 As 1.9882666 0.2144180 -0.8129457 -0.3749150 2.3637940 -0.0698335 -1.1082260 -0.1173599 1.7666319 21 As 0.5006923 0.9138002 -0.2732782 0.4408466 2.5675405 -0.1990711 0.7460956 -0.0195449 2.2033462 22 As 0.5006923 -0.9138002 -0.2732782 -0.4408466 2.5675405 0.1990711 0.7460956 0.0195449 2.2033462 23 As 0.5006923 0.9138002 -0.2732782 0.4408466 2.5675405 -0.1990711 0.7460956 -0.0195449 2.2033462 24 As 0.5006923 -0.9138002 -0.2732782 -0.4408466 2.5675405 0.1990711 0.7460956 0.0195449 2.2033462 25 Se -1.9445926 0.5044039 0.2038051 0.6381721 -0.9709211 0.2099637 0.4177474 0.0546523 -1.8893179 26 Se -1.9445926 -0.5044039 0.2038051 -0.6381721 -0.9709211 -0.2099637 0.4177474 -0.0546523 -1.8893179 27 Se -1.9445926 0.5044039 0.2038051 0.6381721 -0.9709211 0.2099637 0.4177474 0.0546523 -1.8893179 28 Se -1.9445926 -0.5044039 0.2038051 -0.6381721 -0.9709211 -0.2099637 0.4177474 -0.0546523 -1.8893179 29 Se -2.0919585 -0.2136577 -0.3715542 0.1673829 -1.3772812 -0.0984970 -0.3368507 -0.5331290 -1.9013965 30 Se -2.0919585 0.2136577 -0.3715542 -0.1673829 -1.3772812 0.0984970 -0.3368507 0.5331290 -1.9013965 31 Se -2.0919585 -0.2136577 -0.3715542 0.1673829 -1.3772812 -0.0984970 -0.3368507 -0.5331290 -1.9013965 32 Se -2.0919585 0.2136577 -0.3715542 -0.1673829 -1.3772812 0.0984970 -0.3368507 0.5331290 -1.9013965 33 Se -0.9866298 0.4609374 0.6734124 0.1485165 -1.0998382 -0.4505685 0.5843310 -0.4528833 -2.1804847 34 Se -0.9866298 -0.4609374 0.6734124 -0.1485165 -1.0998382 0.4505685 0.5843310 0.4528833 -2.1804847 35 Se -0.9866298 0.4609374 0.6734124 0.1485165 -1.0998382 -0.4505685 0.5843310 -0.4528833 -2.1804847 36 Se -0.9866298 -0.4609374 0.6734124 -0.1485165 -1.0998382 0.4505685 0.5843310 0.4528833 -2.1804847 37 Se -1.4793236 0.3580719 0.0566945 0.3534582 -1.4330188 0.0912631 -0.0685853 0.2482936 -1.9559362 38 Se -1.4793236 -0.3580719 0.0566945 -0.3534582 -1.4330188 -0.0912631 -0.0685853 -0.2482936 -1.9559362 39 Se -1.4793236 0.3580719 0.0566945 0.3534582 -1.4330188 0.0912631 -0.0685853 0.2482936 -1.9559362 40 Se -1.4793236 -0.3580719 0.0566945 -0.3534582 -1.4330188 -0.0912631 -0.0685853 -0.2482936 -1.9559362 41 Se -0.9351079 -0.5537271 0.2105014 0.1708365 -2.0236515 0.6293356 -0.0631950 0.8030697 -1.0683351 42 Se -0.9351079 0.5537271 0.2105014 -0.1708365 -2.0236515 -0.6293356 -0.0631950 -0.8030697 -1.0683351 43 Se -0.9351079 -0.5537271 0.2105014 0.1708365 -2.0236515 0.6293356 -0.0631950 0.8030697 -1.0683351 44 Se -0.9351079 0.5537271 0.2105014 -0.1708365 -2.0236515 -0.6293356 -0.0631950 -0.8030697 -1.0683351 45 Se -1.7623750 0.6243406 -0.0171800 0.7426859 -2.2875389 0.4560075 -0.2030733 0.5721584 -1.3795804 46 Se -1.7623750 -0.6243406 -0.0171800 -0.7426859 -2.2875389 -0.4560075 -0.2030733 -0.5721584 -1.3795804 47 Se -1.7623750 0.6243406 -0.0171800 0.7426859 -2.2875389 0.4560075 -0.2030733 0.5721584 -1.3795804 48 Se -1.7623750 -0.6243406 -0.0171800 -0.7426859 -2.2875389 -0.4560075 -0.2030733 -0.5721584 -1.3795804----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 7 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.38, Number of G-points: 309, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/44) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.633 ( 0.000 0.000 0.000) 0.000 0.787 ( 0.000 0.000 0.000) 0.000 0.841 ( 0.000 0.000 0.000) 0.000 0.856 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 0.000 0.000) 0.000 0.858 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.059 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.272 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.748 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/44) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.211 ( 7.478 0.000 6.281) 9.766 0.324 ( 14.149 0.000 6.470) 15.559 0.382 ( 6.830 0.000 16.878) 18.207 0.638 ( 0.088 0.000 -0.127) 0.155 0.722 ( -1.304 0.000 -9.997) 10.082 0.773 ( -2.915 0.000 1.366) 3.219 0.800 ( -5.023 0.000 -3.379) 6.054 0.852 ( 0.440 0.000 -1.788) 1.841 0.888 ( 2.401 0.000 -0.587) 2.472 0.915 ( -3.840 0.000 -3.037) 4.896 0.969 ( 0.255 0.000 3.367) 3.377 1.012 ( -1.995 0.000 0.334) 2.023 1.041 ( -1.960 0.000 -1.603) 2.532 1.123 ( -0.161 0.000 -1.065) 1.077 1.154 ( -0.397 0.000 1.131) 1.199 1.175 ( -1.444 0.000 1.467) 2.059 1.254 ( 0.800 0.000 2.163) 2.306 1.256 ( 1.609 0.000 1.247) 2.036 1.261 ( 1.592 0.000 0.857) 1.808 1.299 ( 2.719 0.000 0.253) 2.731 1.328 ( 2.537 0.000 -0.089) 2.539 1.362 ( 0.719 0.000 -0.195) 0.745 1.439 ( -4.916 0.000 -1.914) 5.275 1.470 ( -1.854 0.000 0.824) 2.029 1.480 ( -2.287 0.000 0.836) 2.435 1.545 ( -0.712 0.000 -0.218) 0.744 1.554 ( -0.421 0.000 0.446) 0.613 1.605 ( 0.246 0.000 -0.169) 0.299 1.654 ( -0.549 0.000 -0.454) 0.712 1.725 ( -3.286 0.000 -5.966) 6.811 1.743 ( -2.319 0.000 -0.585) 2.391 1.771 ( 1.634 0.000 -0.851) 1.842 1.837 ( 0.624 0.000 1.927) 2.026 1.889 ( 2.059 0.000 -2.530) 3.262 1.915 ( 1.247 0.000 -0.527) 1.354 1.927 ( -1.072 0.000 2.211) 2.457 1.969 ( 0.732 0.000 0.415) 0.841 1.991 ( -0.464 0.000 0.110) 0.477 2.014 ( 1.990 0.000 0.049) 1.991 2.072 ( 2.306 0.000 -2.077) 3.103 2.154 ( -2.664 0.000 2.750) 3.829 2.180 ( -1.080 0.000 0.211) 1.100 2.223 ( -3.933 0.000 0.736) 4.001 2.229 ( 1.146 0.000 2.042) 2.342 2.302 ( 2.742 0.000 -2.083) 3.444 2.303 ( 0.311 0.000 1.274) 1.311 2.438 ( -1.347 0.000 -1.669) 2.145 2.461 ( -0.217 0.000 -1.195) 1.215 2.507 ( -1.876 0.000 1.832) 2.622 2.517 ( -1.187 0.000 -2.060) 2.378 2.524 ( -2.726 0.000 -2.571) 3.747 2.569 ( 0.422 0.000 -0.492) 0.648 2.586 ( -2.701 0.000 -3.366) 4.316 2.604 ( 0.205 0.000 2.471) 2.479 2.629 ( -0.024 0.000 2.836) 2.836 2.701 ( -0.442 0.000 3.482) 3.510 2.713 ( 0.503 0.000 0.163) 0.529 2.746 ( -0.234 0.000 0.136) 0.270 2.753 ( -1.132 0.000 -0.137) 1.141 2.803 ( -2.524 0.000 -0.289) 2.540 2.809 ( 1.040 0.000 -0.170) 1.054 2.855 ( 2.141 0.000 -1.746) 2.763 2.891 ( 0.819 0.000 0.274) 0.864 2.894 ( 1.602 0.000 -1.890) 2.478 2.926 ( 2.390 0.000 -2.495) 3.455 2.942 ( -0.233 0.000 -0.611) 0.654 3.058 ( 1.215 0.000 -0.287) 1.248 3.119 ( -0.190 0.000 -4.072) 4.076 3.134 ( -0.041 0.000 3.776) 3.776 3.137 ( -1.954 0.000 3.352) 3.880 3.192 ( 1.494 0.000 2.474) 2.890 3.220 ( -0.323 0.000 -0.366) 0.488 3.239 ( 1.575 0.000 1.245) 2.008 3.259 ( 1.472 0.000 1.094) 1.834 3.274 ( 0.736 0.000 0.830) 1.109 3.308 ( -3.342 0.000 0.855) 3.449 3.364 ( 0.860 0.000 -0.860) 1.216 3.377 ( -0.764 0.000 -0.747) 1.068 3.441 ( 0.039 0.000 -5.307) 5.307 3.453 ( 3.275 0.000 3.020) 4.454 3.469 ( 0.840 0.000 -0.215) 0.867 3.485 ( 0.466 0.000 -1.513) 1.583 3.529 ( -1.363 0.000 -2.487) 2.835 3.562 ( -2.399 0.000 -0.792) 2.526 3.608 ( -0.827 0.000 2.678) 2.803 3.637 ( 1.822 0.000 -0.199) 1.833 3.665 ( 3.289 0.000 -3.309) 4.665 3.711 ( 0.778 0.000 2.200) 2.333 3.787 ( -1.013 0.000 2.120) 2.350 3.825 ( -0.251 0.000 1.996) 2.011 3.845 ( -0.325 0.000 1.416) 1.453 3.870 ( -0.547 0.000 1.465) 1.563 3.918 ( 0.684 0.000 -1.781) 1.908 4.001 ( 0.484 0.000 -0.231) 0.537 4.001 ( 1.870 0.000 0.257) 1.888 4.103 ( -1.632 0.000 -2.516) 2.998 4.248 ( 2.957 0.000 -0.454) 2.991 4.264 ( -0.262 0.000 0.114) 0.285 4.279 ( -1.499 0.000 -3.590) 3.890 4.305 ( -0.983 0.000 -1.095) 1.472 4.307 ( 1.547 0.000 0.903) 1.791 4.328 ( 1.228 0.000 1.230) 1.738 4.431 ( -0.522 0.000 -0.358) 0.633 4.499 ( 1.150 0.000 1.586) 1.959 4.551 ( 0.384 0.000 0.273) 0.471 4.649 ( -1.141 0.000 -0.663) 1.319 4.681 ( 0.363 0.000 0.280) 0.458 4.687 ( -0.497 0.000 -0.425) 0.654 5.761 ( 0.983 0.000 -1.229) 1.574 5.800 ( 0.432 0.000 0.498) 0.659 5.893 ( -0.717 0.000 -0.676) 0.986 5.984 ( 2.040 0.000 2.188) 2.992 6.160 ( -0.307 0.000 0.058) 0.312 6.182 ( 0.165 0.000 0.025) 0.167 6.196 ( 0.166 0.000 0.216) 0.273 6.225 ( -0.503 0.000 0.724) 0.881 6.417 ( 0.633 0.000 0.392) 0.744 6.482 ( 0.007 0.000 -0.596) 0.596 6.554 ( 1.351 0.000 0.961) 1.658 6.573 ( -0.234 0.000 -1.329) 1.350 6.637 ( -0.031 0.000 0.783) 0.783 6.655 ( 1.105 0.000 0.195) 1.122 6.770 ( 0.472 0.000 -0.243) 0.531 6.785 ( 0.035 0.000 -0.208) 0.211 7.042 ( -0.390 0.000 -0.295) 0.489 7.066 ( 0.260 0.000 0.504) 0.568 7.132 ( 0.200 0.000 0.177) 0.267 7.167 ( -0.013 0.000 0.049) 0.051 7.328 ( 0.285 0.000 0.326) 0.433 7.330 ( -0.246 0.000 -0.362) 0.437 7.373 ( 0.266 0.000 0.775) 0.820 7.420 ( -1.395 0.000 -0.944) 1.685 7.455 ( -0.663 0.000 0.131) 0.676 7.475 ( -0.420 0.000 0.444) 0.611 7.549 ( -1.695 0.000 -1.586) 2.322 7.581 ( -2.018 0.000 3.084) 3.686 7.637 ( 0.912 0.000 1.104) 1.432 7.735 ( 0.485 0.000 -2.569) 2.615 7.780 ( -1.241 0.000 -1.385) 1.860 7.789 ( -2.608 0.000 1.144) 2.848 7.813 ( -1.191 0.000 0.933) 1.513 7.924 ( 1.940 0.000 -0.500) 2.004 7.978 ( -1.273 0.000 0.451) 1.351 8.035 ( -0.787 0.000 3.067) 3.167======================= Grid point 2 (3/44) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.390 ( 6.916 0.000 4.190) 8.086 0.514 ( -3.364 0.000 2.277) 4.062 0.586 ( -3.876 0.000 -6.062) 7.195 0.590 ( 6.715 0.000 7.204) 9.848 0.646 ( 2.200 0.000 -2.896) 3.637 0.665 ( -6.294 0.000 2.562) 6.796 0.765 ( 3.450 0.000 -5.239) 6.273 0.805 ( -1.428 0.000 -2.077) 2.521 0.897 ( 1.850 0.000 -0.528) 1.923 0.923 ( -3.824 0.000 5.450) 6.658 0.976 ( -0.624 0.000 1.531) 1.654 0.999 ( 0.253 0.000 -1.855) 1.872 1.016 ( 0.763 0.000 1.164) 1.392 1.097 ( -0.744 0.000 -0.687) 1.013 1.146 ( 0.681 0.000 -1.667) 1.801 1.187 ( 0.665 0.000 1.092) 1.279 1.279 ( 0.322 0.000 0.368) 0.489 1.283 ( 1.662 0.000 -1.253) 2.081 1.309 ( -3.163 0.000 -0.069) 3.164 1.312 ( 1.158 0.000 0.836) 1.428 1.351 ( 0.312 0.000 0.746) 0.809 1.357 ( 0.124 0.000 1.945) 1.949 1.373 ( -0.556 0.000 -1.578) 1.673 1.476 ( -0.433 0.000 1.722) 1.775 1.488 ( 1.055 0.000 2.399) 2.620 1.541 ( -0.859 0.000 -1.628) 1.841 1.543 ( 0.337 0.000 -0.046) 0.341 1.573 ( -0.237 0.000 -3.640) 3.648 1.600 ( -4.842 0.000 -1.051) 4.954 1.652 ( 1.075 0.000 -0.413) 1.151 1.715 ( -0.360 0.000 -0.400) 0.539 1.771 ( -0.365 0.000 -0.427) 0.562 1.861 ( 0.191 0.000 0.615) 0.644 1.903 ( 3.590 0.000 -2.767) 4.532 1.925 ( -2.689 0.000 2.460) 3.645 1.936 ( 1.810 0.000 -0.263) 1.829 1.965 ( -1.605 0.000 0.124) 1.610 2.000 ( 1.735 0.000 -0.518) 1.811 2.042 ( 0.884 0.000 -0.031) 0.884 2.078 ( -1.166 0.000 0.380) 1.227 2.122 ( -1.685 0.000 -0.564) 1.777 2.194 ( -0.791 0.000 1.304) 1.525 2.196 ( 1.248 0.000 2.181) 2.513 2.253 ( -0.381 0.000 0.313) 0.493 2.297 ( 0.528 0.000 -1.711) 1.790 2.313 ( -0.696 0.000 0.220) 0.730 2.394 ( -1.369 0.000 -1.069) 1.737 2.418 ( -2.554 0.000 -2.684) 3.705 2.453 ( -0.147 0.000 0.131) 0.198 2.493 ( -0.356 0.000 -0.851) 0.923 2.507 ( -0.971 0.000 1.736) 1.989 2.519 ( -0.817 0.000 -2.160) 2.309 2.559 ( -0.086 0.000 -0.931) 0.935 2.631 ( -1.498 0.000 0.956) 1.777 2.648 ( 0.392 0.000 2.093) 2.130 2.734 ( -0.356 0.000 -0.208) 0.412 2.741 ( -0.347 0.000 0.943) 1.005 2.750 ( -0.063 0.000 0.498) 0.502 2.757 ( 2.028 0.000 2.465) 3.192 2.800 ( 1.287 0.000 2.445) 2.763 2.819 ( 1.118 0.000 -0.972) 1.481 2.849 ( -0.118 0.000 -2.331) 2.334 2.877 ( -0.019 0.000 -2.652) 2.652 2.914 ( -0.047 0.000 1.444) 1.445 2.923 ( 0.758 0.000 -1.334) 1.534 2.924 ( -0.170 0.000 -0.891) 0.907 3.068 ( -0.661 0.000 -1.858) 1.972 3.094 ( 1.479 0.000 0.614) 1.601 3.157 ( 0.075 0.000 1.873) 1.875 3.159 ( 0.082 0.000 1.856) 1.857 3.200 ( -1.198 0.000 -0.404) 1.264 3.214 ( -0.786 0.000 -1.083) 1.338 3.256 ( -1.156 0.000 -1.595) 1.969 3.277 ( 1.368 0.000 0.153) 1.376 3.288 ( 2.015 0.000 1.090) 2.291 3.354 ( 1.141 0.000 4.893) 5.025 3.376 ( 1.600 0.000 0.326) 1.633 3.378 ( 0.043 0.000 -0.270) 0.273 3.392 ( 0.207 0.000 -1.418) 1.433 3.451 ( -0.900 0.000 -4.225) 4.320 3.469 ( -1.238 0.000 -1.241) 1.753 3.476 ( 0.718 0.000 -0.217) 0.750 3.506 ( -2.131 0.000 -1.243) 2.467 3.540 ( 2.103 0.000 1.395) 2.523 3.630 ( -0.490 0.000 2.130) 2.185 3.665 ( 0.327 0.000 -1.235) 1.278 3.672 ( 1.903 0.000 -0.008) 1.903 3.709 ( -1.561 0.000 0.018) 1.561 3.823 ( 0.495 0.000 2.898) 2.940 3.845 ( -0.315 0.000 1.716) 1.744 3.853 ( 0.149 0.000 -0.162) 0.220 3.879 ( -0.550 0.000 1.207) 1.326 3.903 ( 0.380 0.000 -1.125) 1.188 3.996 ( -0.285 0.000 -1.242) 1.274 4.045 ( 1.322 0.000 0.811) 1.551 4.059 ( -0.300 0.000 -0.865) 0.916 4.215 ( -0.990 0.000 -2.347) 2.547 4.263 ( 0.063 0.000 0.027) 0.069 4.275 ( -0.925 0.000 -0.760) 1.197 4.280 ( 0.834 0.000 0.295) 0.885 4.345 ( 1.572 0.000 0.336) 1.607 4.366 ( 0.896 0.000 1.088) 1.409 4.415 ( -0.719 0.000 -0.290) 0.775 4.529 ( 0.575 0.000 0.646) 0.865 4.560 ( 0.208 0.000 0.157) 0.260 4.622 ( -0.799 0.000 -0.556) 0.973 4.674 ( -0.386 0.000 -0.317) 0.499 4.689 ( 0.217 0.000 0.157) 0.268 5.763 ( 0.328 0.000 -0.331) 0.465 5.812 ( 0.258 0.000 0.283) 0.384 5.880 ( -0.198 0.000 -0.236) 0.308 6.039 ( 1.321 0.000 1.456) 1.966 6.152 ( -0.504 0.000 -0.062) 0.507 6.184 ( 0.068 0.000 -0.019) 0.070 6.200 ( 0.077 0.000 0.100) 0.126 6.226 ( -0.078 0.000 0.216) 0.229 6.433 ( 0.513 0.000 0.320) 0.605 6.477 ( 0.037 0.000 -0.198) 0.202 6.553 ( -0.419 0.000 -0.673) 0.793 6.580 ( 0.583 0.000 0.310) 0.660 6.646 ( 0.036 0.000 0.495) 0.496 6.681 ( 1.090 0.000 0.434) 1.173 6.775 ( 0.521 0.000 -0.243) 0.575 6.782 ( -0.312 0.000 0.076) 0.321 7.035 ( -0.144 0.000 -0.119) 0.187 7.074 ( 0.119 0.000 0.187) 0.221 7.137 ( 0.167 0.000 0.078) 0.185 7.166 ( -0.106 0.000 0.077) 0.131 7.324 ( -0.092 0.000 -0.174) 0.197 7.345 ( 1.042 0.000 0.753) 1.285 7.380 ( -1.761 0.000 -1.046) 2.048 7.387 ( 0.447 0.000 0.472) 0.650 7.437 ( -1.333 0.000 -0.177) 1.344 7.472 ( -0.259 0.000 0.160) 0.304 7.507 ( -0.695 0.000 -1.051) 1.260 7.585 ( -0.277 0.000 0.643) 0.700 7.677 ( 1.894 0.000 1.637) 2.504 7.710 ( -0.113 0.000 -1.459) 1.463 7.732 ( -2.175 0.000 -1.690) 2.754 7.764 ( -1.171 0.000 0.496) 1.272 7.813 ( -0.285 0.000 0.485) 0.563 7.942 ( 0.744 0.000 -0.202) 0.771 7.968 ( -0.344 0.000 0.092) 0.356 8.053 ( 0.025 0.000 0.787) 0.787======================= Grid point 5 (4/44) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.215 ( 0.000 11.533 0.000) 11.533 0.275 ( 0.000 14.158 0.000) 14.158 0.433 ( 0.000 21.179 0.000) 21.179 0.638 ( 0.000 1.343 0.000) 1.343 0.759 ( 0.000 -2.006 0.000) 2.006 0.848 ( 0.000 2.152 0.000) 2.152 0.857 ( 0.000 0.219 0.000) 0.219 0.880 ( 0.000 -1.416 0.000) 1.416 0.899 ( 0.000 3.081 0.000) 3.081 0.929 ( 0.000 4.183 0.000) 4.183 0.973 ( 0.000 -3.578 0.000) 3.578 1.078 ( 0.000 4.352 0.000) 4.352 1.085 ( 0.000 0.810 0.000) 0.810 1.102 ( 0.000 -1.413 0.000) 1.413 1.120 ( 0.000 0.085 0.000) 0.085 1.208 ( 0.000 -0.546 0.000) 0.546 1.249 ( 0.000 2.014 0.000) 2.014 1.255 ( 0.000 1.855 0.000) 1.855 1.255 ( 0.000 1.316 0.000) 1.316 1.296 ( 0.000 -1.390 0.000) 1.390 1.299 ( 0.000 2.151 0.000) 2.151 1.369 ( 0.000 1.502 0.000) 1.502 1.410 ( 0.000 -3.298 0.000) 3.298 1.487 ( 0.000 -3.210 0.000) 3.210 1.522 ( 0.000 0.188 0.000) 0.188 1.549 ( 0.000 -0.759 0.000) 0.759 1.567 ( 0.000 -2.145 0.000) 2.145 1.587 ( 0.000 2.546 0.000) 2.546 1.666 ( 0.000 -0.988 0.000) 0.988 1.726 ( 0.000 -1.897 0.000) 1.897 1.727 ( 0.000 -4.892 0.000) 4.892 1.757 ( 0.000 -4.746 0.000) 4.746 1.761 ( 0.000 -1.970 0.000) 1.970 1.838 ( 0.000 -4.550 0.000) 4.550 1.884 ( 0.000 -2.361 0.000) 2.361 1.931 ( 0.000 1.198 0.000) 1.198 1.981 ( 0.000 -1.488 0.000) 1.488 1.991 ( 0.000 2.092 0.000) 2.092 2.024 ( 0.000 3.017 0.000) 3.017 2.081 ( 0.000 0.025 0.000) 0.025 2.169 ( 0.000 -1.504 0.000) 1.504 2.176 ( 0.000 1.026 0.000) 1.026 2.202 ( 0.000 2.862 0.000) 2.862 2.276 ( 0.000 0.161 0.000) 0.161 2.317 ( 0.000 0.896 0.000) 0.896 2.351 ( 0.000 5.762 0.000) 5.762 2.452 ( 0.000 -2.060 0.000) 2.060 2.466 ( 0.000 -1.160 0.000) 1.160 2.494 ( 0.000 -0.325 0.000) 0.325 2.522 ( 0.000 1.014 0.000) 1.014 2.543 ( 0.000 0.063 0.000) 0.063 2.596 ( 0.000 -0.005 0.000) 0.005 2.627 ( 0.000 1.144 0.000) 1.144 2.657 ( 0.000 -1.945 0.000) 1.945 2.659 ( 0.000 3.438 0.000) 3.438 2.672 ( 0.000 -0.922 0.000) 0.922 2.729 ( 0.000 0.791 0.000) 0.791 2.754 ( 0.000 0.184 0.000) 0.184 2.760 ( 0.000 -0.849 0.000) 0.849 2.774 ( 0.000 -1.553 0.000) 1.553 2.825 ( 0.000 -0.479 0.000) 0.479 2.852 ( 0.000 -3.367 0.000) 3.367 2.879 ( 0.000 1.656 0.000) 1.656 2.913 ( 0.000 1.858 0.000) 1.858 2.940 ( 0.000 2.428 0.000) 2.428 2.958 ( 0.000 1.372 0.000) 1.372 3.039 ( 0.000 -1.608 0.000) 1.608 3.060 ( 0.000 -0.715 0.000) 0.715 3.064 ( 0.000 -2.006 0.000) 2.006 3.145 ( 0.000 -1.729 0.000) 1.729 3.165 ( 0.000 2.118 0.000) 2.118 3.214 ( 0.000 -1.027 0.000) 1.027 3.240 ( 0.000 2.328 0.000) 2.328 3.271 ( 0.000 1.361 0.000) 1.361 3.287 ( 0.000 1.088 0.000) 1.088 3.311 ( 0.000 -0.159 0.000) 0.159 3.349 ( 0.000 -2.774 0.000) 2.774 3.396 ( 0.000 0.668 0.000) 0.668 3.412 ( 0.000 -0.265 0.000) 0.265 3.432 ( 0.000 -0.540 0.000) 0.540 3.474 ( 0.000 -0.660 0.000) 0.660 3.496 ( 0.000 -0.614 0.000) 0.614 3.554 ( 0.000 -1.750 0.000) 1.750 3.554 ( 0.000 -0.265 0.000) 0.265 3.613 ( 0.000 2.821 0.000) 2.821 3.633 ( 0.000 2.138 0.000) 2.138 3.660 ( 0.000 -1.604 0.000) 1.604 3.664 ( 0.000 2.621 0.000) 2.621 3.799 ( 0.000 -1.076 0.000) 1.076 3.832 ( 0.000 0.746 0.000) 0.746 3.846 ( 0.000 0.240 0.000) 0.240 3.866 ( 0.000 -0.023 0.000) 0.023 3.924 ( 0.000 1.312 0.000) 1.312 3.986 ( 0.000 -0.418 0.000) 0.418 4.025 ( 0.000 1.702 0.000) 1.702 4.126 ( 0.000 -0.960 0.000) 0.960 4.164 ( 0.000 1.019 0.000) 1.019 4.266 ( 0.000 -0.197 0.000) 0.197 4.283 ( 0.000 -0.367 0.000) 0.367 4.307 ( 0.000 -0.413 0.000) 0.413 4.317 ( 0.000 -0.449 0.000) 0.449 4.394 ( 0.000 -1.365 0.000) 1.365 4.447 ( 0.000 0.665 0.000) 0.665 4.468 ( 0.000 -0.459 0.000) 0.459 4.582 ( 0.000 -0.251 0.000) 0.251 4.600 ( 0.000 -0.565 0.000) 0.565 4.675 ( 0.000 -0.002 0.000) 0.002 4.697 ( 0.000 0.163 0.000) 0.163 5.754 ( 0.000 -0.549 0.000) 0.549 5.785 ( 0.000 -0.773 0.000) 0.773 5.912 ( 0.000 -0.146 0.000) 0.146 5.969 ( 0.000 -1.462 0.000) 1.462 6.144 ( 0.000 -1.264 0.000) 1.264 6.181 ( 0.000 -0.032 0.000) 0.032 6.231 ( 0.000 1.440 0.000) 1.440 6.395 ( 0.000 -1.449 0.000) 1.449 6.472 ( 0.000 -0.505 0.000) 0.505 6.511 ( 0.000 -1.650 0.000) 1.650 6.539 ( 0.000 0.993 0.000) 0.993 6.598 ( 0.000 1.033 0.000) 1.033 6.636 ( 0.000 -0.095 0.000) 0.095 6.648 ( 0.000 0.284 0.000) 0.284 6.738 ( 0.000 -0.110 0.000) 0.110 6.766 ( 0.000 -0.162 0.000) 0.162 7.055 ( 0.000 1.029 0.000) 1.029 7.059 ( 0.000 0.267 0.000) 0.267 7.131 ( 0.000 -0.344 0.000) 0.344 7.159 ( 0.000 -0.693 0.000) 0.693 7.315 ( 0.000 -0.922 0.000) 0.922 7.334 ( 0.000 -0.731 0.000) 0.731 7.337 ( 0.000 -1.802 0.000) 1.802 7.397 ( 0.000 -1.353 0.000) 1.353 7.410 ( 0.000 0.391 0.000) 0.391 7.470 ( 0.000 -0.462 0.000) 0.462 7.477 ( 0.000 0.565 0.000) 0.565 7.563 ( 0.000 -1.384 0.000) 1.384 7.635 ( 0.000 0.940 0.000) 0.940 7.722 ( 0.000 -1.904 0.000) 1.904 7.801 ( 0.000 0.380 0.000) 0.380 7.807 ( 0.000 0.291 0.000) 0.291 7.857 ( 0.000 -0.974 0.000) 0.974 7.932 ( 0.000 1.928 0.000) 1.928 7.934 ( 0.000 -2.149 0.000) 2.149 8.004 ( 0.000 0.623 0.000) 0.623======================= Grid point 6 (5/44) =======================q-point: ( 0.20 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.256 ( 4.009 8.183 4.700) 10.253 0.409 ( 7.349 7.051 9.222) 13.740 0.549 ( 1.294 9.466 3.493) 10.173 0.633 ( 1.499 4.454 0.232) 4.705 0.736 ( -1.752 -0.975 -1.903) 2.764 0.780 ( -0.454 3.500 -5.342) 6.403 0.835 ( 1.068 -0.823 -2.044) 2.449 0.860 ( -3.599 4.037 -0.994) 5.499 0.918 ( 0.139 2.094 0.457) 2.148 0.923 ( 0.189 1.297 -0.069) 1.312 0.982 ( -1.320 -0.562 -0.186) 1.447 1.001 ( -2.267 1.413 0.025) 2.671 1.067 ( -1.420 1.390 -1.222) 2.332 1.113 ( 1.013 -0.579 -1.647) 2.018 1.122 ( -0.571 -1.449 0.379) 1.603 1.211 ( -3.101 1.248 2.331) 4.076 1.225 ( 0.309 -0.059 0.308) 0.440 1.259 ( 1.161 -0.344 -0.336) 1.257 1.294 ( 1.119 1.307 1.065) 2.024 1.310 ( 2.655 0.135 -0.237) 2.669 1.331 ( 1.084 0.707 1.230) 1.786 1.367 ( -0.092 0.625 -1.239) 1.390 1.408 ( -1.413 -2.357 0.656) 2.826 1.444 ( -2.719 -0.670 1.430) 3.144 1.493 ( -1.436 -0.919 -1.062) 2.009 1.528 ( -1.090 -1.067 -0.914) 1.778 1.569 ( -1.898 0.521 1.896) 2.733 1.601 ( -0.560 -1.085 0.351) 1.270 1.643 ( -1.905 -0.824 0.314) 2.100 1.703 ( 0.629 -1.587 -2.370) 2.921 1.731 ( -1.151 -1.243 -2.128) 2.720 1.751 ( 2.172 -0.999 -2.147) 3.213 1.781 ( 0.996 -4.633 1.657) 5.020 1.835 ( 1.419 -4.391 -1.961) 5.014 1.899 ( 0.146 -2.387 1.353) 2.748 1.934 ( 1.015 -0.109 -1.115) 1.512 1.976 ( 0.278 -0.926 1.541) 1.820 2.019 ( -1.432 2.759 1.324) 3.379 2.030 ( 3.022 2.356 -1.218) 4.021 2.092 ( 2.204 0.865 -1.321) 2.711 2.166 ( 0.321 0.649 -0.893) 1.150 2.188 ( -2.828 2.274 2.452) 4.380 2.210 ( 1.143 -0.906 2.657) 3.031 2.239 ( -4.054 1.221 0.016) 4.233 2.300 ( -0.158 0.160 -0.402) 0.461 2.353 ( -0.815 3.352 -0.261) 3.460 2.437 ( -0.230 -0.512 -2.553) 2.614 2.453 ( -0.867 -0.266 -0.843) 1.239 2.478 ( -1.693 -1.159 0.118) 2.055 2.524 ( -1.799 1.182 2.653) 3.417 2.545 ( 0.019 0.472 -2.039) 2.093 2.579 ( -1.184 0.876 -1.481) 2.089 2.593 ( -2.116 -0.932 -2.052) 3.092 2.612 ( -1.137 0.582 0.699) 1.456 2.663 ( -0.599 1.957 0.834) 2.209 2.700 ( 0.698 0.568 2.179) 2.357 2.723 ( 0.165 -0.093 -0.590) 0.620 2.744 ( -0.224 0.568 0.349) 0.703 2.749 ( -1.564 0.284 1.684) 2.315 2.797 ( -0.794 -0.067 0.772) 1.110 2.827 ( 1.318 -0.107 -1.471) 1.978 2.834 ( 0.059 -3.127 0.201) 3.134 2.879 ( 1.467 1.275 -2.143) 2.893 2.902 ( -0.448 0.519 -0.250) 0.730 2.932 ( 0.842 0.566 -1.726) 2.002 2.950 ( 0.052 0.117 -1.687) 1.692 3.048 ( 2.208 -0.492 0.418) 2.301 3.098 ( 1.625 -1.444 -0.091) 2.176 3.133 ( 2.845 -1.587 3.424) 4.726 3.153 ( -0.898 2.463 0.153) 2.626 3.169 ( 1.130 -1.350 0.062) 1.762 3.213 ( -0.381 -1.003 1.284) 1.673 3.240 ( 0.186 1.594 0.611) 1.717 3.266 ( 0.088 0.922 -0.413) 1.014 3.298 ( -1.687 -0.590 -0.791) 1.955 3.299 ( 0.126 0.790 1.887) 2.050 3.348 ( 0.460 -2.042 0.921) 2.287 3.376 ( -0.226 0.438 -1.184) 1.282 3.430 ( -0.419 -0.475 -4.729) 4.771 3.452 ( 2.352 -1.164 0.884) 2.769 3.473 ( 2.527 0.514 0.584) 2.644 3.487 ( -0.019 0.621 -0.694) 0.932 3.529 ( -1.016 -0.333 -2.320) 2.555 3.548 ( -1.838 -1.116 0.362) 2.181 3.620 ( -0.539 1.075 1.467) 1.897 3.640 ( 1.142 1.159 0.767) 1.799 3.674 ( 1.699 0.668 -0.119) 1.829 3.706 ( 1.344 0.029 1.634) 2.116 3.794 ( -1.257 -0.462 1.359) 1.908 3.832 ( -0.871 0.956 1.771) 2.193 3.850 ( 0.268 0.265 0.396) 0.546 3.876 ( -0.298 0.319 0.930) 1.027 3.922 ( 0.552 0.526 -1.966) 2.109 3.999 ( 1.115 -0.056 0.648) 1.291 4.014 ( 0.352 1.121 -0.283) 1.209 4.096 ( -1.352 -0.586 -2.165) 2.618 4.218 ( 2.914 -0.556 1.668) 3.404 4.269 ( 0.031 0.337 -0.180) 0.384 4.291 ( 0.212 -0.635 -1.740) 1.865 4.302 ( -0.547 -0.366 -0.594) 0.886 4.317 ( -0.469 0.336 -0.791) 0.979 4.327 ( -0.420 -0.010 -0.168) 0.452 4.440 ( -0.444 0.790 -0.317) 0.959 4.498 ( 0.594 -0.418 1.936) 2.067 4.562 ( -0.089 0.781 -0.344) 0.858 4.611 ( -0.261 -2.064 -0.006) 2.080 4.683 ( 0.082 -0.262 -0.154) 0.314 4.694 ( 0.036 0.295 -0.277) 0.406 5.755 ( 0.466 -0.530 -0.469) 0.847 5.791 ( 0.482 -0.855 0.294) 1.024 5.899 ( -0.638 0.152 -0.878) 1.096 5.982 ( 1.050 -1.108 1.315) 2.015 6.144 ( -0.058 -1.173 -0.095) 1.179 6.179 ( -0.277 -0.082 0.183) 0.342 6.231 ( -0.108 1.574 0.097) 1.581 6.306 ( -4.810 4.328 -2.454) 6.920 6.437 ( 0.027 2.155 -0.228) 2.168 6.484 ( -0.372 0.673 -0.044) 0.770 6.527 ( 1.495 -1.708 -0.778) 2.400 6.593 ( -0.031 1.122 -0.453) 1.210 6.636 ( -0.057 -0.110 0.662) 0.673 6.657 ( 0.954 0.201 0.231) 1.002 6.767 ( 0.431 -0.352 -0.246) 0.608 6.772 ( 0.566 -1.018 0.257) 1.193 7.048 ( -0.301 0.534 -0.417) 0.742 7.072 ( 0.331 0.666 0.785) 1.081 7.128 ( 0.164 -0.359 0.039) 0.397 7.162 ( -0.149 -0.559 0.273) 0.640 7.319 ( 0.372 -0.819 0.459) 1.010 7.326 ( -0.236 -0.547 -0.548) 0.809 7.362 ( 0.610 -1.251 0.830) 1.620 7.393 ( -0.709 -2.048 -0.612) 2.252 7.456 ( -0.675 -1.282 0.916) 1.714 7.468 ( -0.261 0.025 0.139) 0.297 7.514 ( 1.587 -3.238 2.621) 4.458 7.539 ( -1.304 -1.059 -1.250) 2.094 7.643 ( 0.687 0.552 0.748) 1.156 7.723 ( 0.693 -1.433 -1.114) 1.943 7.775 ( -0.845 0.097 -1.763) 1.958 7.806 ( -1.355 0.519 -0.097) 1.454 7.841 ( -3.830 2.025 0.738) 4.395 7.880 ( 0.367 -2.313 1.458) 2.759 7.997 ( 1.157 -0.324 -0.300) 1.239 8.013 ( 0.565 -0.367 1.549) 1.689======================= Grid point 7 (6/44) =======================q-point: ( 0.40 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( 6.923 3.780 4.316) 8.992 0.490 ( -1.338 0.577 -3.553) 3.841 0.603 ( 2.660 1.587 -0.149) 3.101 0.643 ( -3.923 3.160 3.654) 6.223 0.676 ( -0.956 4.573 1.742) 4.986 0.745 ( 0.018 6.006 -1.042) 6.096 0.787 ( -1.535 1.914 -3.588) 4.347 0.814 ( -0.963 0.914 -1.477) 1.986 0.937 ( 2.630 3.151 -2.996) 5.081 0.951 ( -2.995 2.083 4.326) 5.659 0.960 ( 1.105 -0.838 2.665) 3.004 1.008 ( 0.044 1.037 1.575) 1.886 1.023 ( -0.724 1.244 -1.909) 2.391 1.091 ( -0.597 -0.543 -0.811) 1.144 1.117 ( 0.374 -2.465 -2.145) 3.289 1.186 ( -0.076 0.431 0.969) 1.063 1.248 ( -1.511 -2.281 -0.891) 2.877 1.279 ( 2.148 -0.921 2.071) 3.122 1.313 ( 0.057 0.441 0.897) 1.001 1.329 ( 0.397 -0.088 -0.294) 0.502 1.333 ( -0.988 0.262 -1.419) 1.749 1.360 ( 1.285 0.108 0.814) 1.525 1.393 ( -0.795 -0.137 -0.959) 1.253 1.450 ( -0.097 -0.612 1.290) 1.431 1.480 ( -0.798 -1.526 1.706) 2.424 1.502 ( -0.093 -1.328 -2.745) 3.051 1.559 ( -1.244 0.182 0.409) 1.322 1.581 ( -0.609 -0.990 1.884) 2.214 1.632 ( -1.610 2.972 2.098) 3.979 1.665 ( 1.309 2.182 -5.947) 6.468 1.705 ( 0.037 -0.952 -0.290) 0.996 1.758 ( -0.009 -1.206 -0.340) 1.253 1.801 ( -0.152 -4.914 0.403) 4.933 1.854 ( 3.017 -4.158 -0.887) 5.213 1.903 ( -1.511 -1.664 0.969) 2.448 1.938 ( 0.987 -1.909 -0.887) 2.325 2.002 ( -0.258 -0.403 1.336) 1.419 2.012 ( -1.083 3.609 1.069) 3.917 2.049 ( 1.983 3.750 -1.676) 4.561 2.109 ( 1.227 0.376 -0.786) 1.505 2.156 ( -2.745 2.342 0.352) 3.625 2.181 ( -0.226 -0.585 1.832) 1.936 2.203 ( 0.847 0.726 0.560) 1.248 2.240 ( -1.087 -0.424 0.928) 1.491 2.299 ( 0.022 -0.401 -0.165) 0.434 2.322 ( -0.387 1.346 -0.475) 1.479 2.368 ( -3.000 0.557 -2.413) 3.890 2.443 ( -0.823 -0.216 0.703) 1.104 2.457 ( 0.234 -0.448 -1.597) 1.675 2.479 ( -1.512 2.548 -0.782) 3.064 2.522 ( -0.811 0.121 -1.944) 2.110 2.557 ( -0.681 1.749 2.655) 3.251 2.579 ( 0.766 0.938 -1.386) 1.841 2.625 ( -0.007 -0.143 1.554) 1.561 2.669 ( -0.408 1.327 0.501) 1.476 2.715 ( -0.177 -1.845 0.380) 1.892 2.729 ( -0.192 -0.673 1.263) 1.444 2.742 ( 0.542 -0.527 0.053) 0.758 2.748 ( -0.679 1.011 0.219) 1.238 2.810 ( 0.354 0.181 2.243) 2.278 2.829 ( 1.793 -0.361 -2.124) 2.803 2.841 ( -0.539 -1.268 -0.201) 1.392 2.868 ( 0.490 0.360 -1.890) 1.985 2.895 ( -0.520 -0.855 0.042) 1.002 2.928 ( 0.497 -0.437 -1.013) 1.210 2.933 ( -0.031 0.542 -0.146) 0.562 3.091 ( 1.501 0.147 0.505) 1.590 3.110 ( 0.683 1.908 -0.620) 2.119 3.141 ( -1.309 -0.152 0.615) 1.455 3.165 ( 0.315 0.347 0.243) 0.528 3.203 ( 1.441 -0.315 -0.029) 1.475 3.222 ( -0.295 0.394 0.776) 0.919 3.235 ( 0.268 -1.270 -0.475) 1.382 3.254 ( -0.707 -0.140 -1.484) 1.650 3.305 ( 1.048 0.455 1.369) 1.784 3.345 ( 0.750 -1.031 4.207) 4.396 3.368 ( 0.080 -0.549 -0.061) 0.558 3.374 ( 0.578 -1.386 -1.830) 2.367 3.379 ( 0.438 -0.099 0.626) 0.771 3.437 ( -1.106 -1.067 -4.344) 4.607 3.474 ( 0.424 0.036 -0.137) 0.448 3.488 ( -0.279 1.268 -1.059) 1.675 3.500 ( -1.226 0.180 -0.515) 1.342 3.566 ( 1.872 1.322 1.677) 2.840 3.631 ( -0.675 0.035 1.111) 1.301 3.669 ( 1.306 -0.088 0.287) 1.341 3.684 ( 0.447 1.613 -0.862) 1.883 3.718 ( -0.948 0.769 0.497) 1.318 3.814 ( 0.157 -0.856 2.629) 2.769 3.847 ( -0.281 0.398 1.538) 1.614 3.855 ( 0.097 0.085 -0.359) 0.382 3.878 ( -0.449 -0.164 0.923) 1.039 3.897 ( -0.093 -0.203 -1.904) 1.917 4.000 ( -0.230 0.263 -1.216) 1.265 4.042 ( 1.072 -0.201 0.733) 1.314 4.065 ( 0.009 0.480 -0.326) 0.580 4.222 ( -1.126 0.706 -2.295) 2.652 4.267 ( 0.110 0.173 -0.266) 0.336 4.269 ( 0.672 -0.784 0.590) 1.189 4.277 ( -0.764 0.278 -0.483) 0.946 4.343 ( 1.750 -0.192 0.326) 1.791 4.356 ( 0.447 -0.869 1.324) 1.645 4.425 ( -0.613 0.959 -0.309) 1.179 4.523 ( 0.379 -0.609 0.718) 1.015 4.563 ( 0.190 0.303 0.005) 0.358 4.599 ( -0.462 -1.642 -0.381) 1.747 4.675 ( -0.289 0.102 -0.272) 0.410 4.694 ( 0.084 0.112 -0.027) 0.143 5.757 ( 0.243 -0.495 -0.194) 0.584 5.802 ( 0.273 -0.985 0.187) 1.040 5.884 ( -0.223 0.277 -0.324) 0.481 6.019 ( 0.940 -2.147 1.077) 2.580 6.140 ( -0.135 -0.826 -0.160) 0.852 6.178 ( -0.123 -0.287 0.095) 0.326 6.232 ( 0.205 2.041 -0.016) 2.051 6.250 ( -1.217 2.084 -0.212) 2.423 6.444 ( 0.364 0.849 0.104) 0.930 6.484 ( 0.042 1.109 0.269) 1.142 6.530 ( 0.135 -1.790 -0.710) 1.930 6.593 ( 0.140 0.814 0.007) 0.826 6.644 ( 0.034 -0.246 0.425) 0.493 6.679 ( 0.864 -0.194 0.353) 0.954 6.772 ( 0.482 -0.408 -0.269) 0.686 6.776 ( -0.213 -0.624 0.154) 0.677 7.040 ( -0.132 0.522 -0.169) 0.564 7.083 ( 0.147 0.891 0.312) 0.955 7.134 ( 0.248 -0.378 0.087) 0.461 7.161 ( -0.171 -0.521 0.105) 0.558 7.318 ( -0.074 -0.560 -0.235) 0.612 7.338 ( 1.022 -0.634 0.692) 1.388 7.368 ( -1.179 -0.987 -0.719) 1.697 7.381 ( 0.765 -0.811 0.566) 1.250 7.432 ( -1.755 -0.567 -0.605) 1.941 7.466 ( -0.302 -0.557 0.277) 0.691 7.499 ( -0.422 -0.702 -0.934) 1.242 7.551 ( 0.206 -3.009 0.609) 3.077 7.676 ( 1.639 -0.060 1.453) 2.191 7.716 ( -0.068 -0.478 -1.287) 1.374 7.734 ( -1.294 0.977 -1.287) 2.071 7.772 ( -1.634 0.626 0.213) 1.763 7.820 ( -0.639 0.680 0.459) 1.040 7.897 ( 0.193 -2.459 0.428) 2.503 8.003 ( 0.433 1.487 -0.329) 1.583 8.034 ( 0.118 -1.546 0.710) 1.705======================= Grid point 10 (7/44) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( 0.000 11.424 0.000) 11.424 0.527 ( 0.000 11.556 0.000) 11.556 0.710 ( 0.000 6.383 0.000) 6.383 0.731 ( 0.000 0.061 0.000) 0.061 0.775 ( 0.000 12.936 0.000) 12.936 0.837 ( 0.000 -2.767 0.000) 2.767 0.856 ( 0.000 0.859 0.000) 0.859 0.929 ( 0.000 0.048 0.000) 0.048 0.944 ( 0.000 5.495 0.000) 5.495 0.977 ( 0.000 3.519 0.000) 3.519 1.001 ( 0.000 3.514 0.000) 3.514 1.083 ( 0.000 -1.300 0.000) 1.300 1.091 ( 0.000 1.183 0.000) 1.183 1.106 ( 0.000 1.430 0.000) 1.430 1.164 ( 0.000 1.341 0.000) 1.341 1.212 ( 0.000 1.006 0.000) 1.006 1.245 ( 0.000 -0.537 0.000) 0.537 1.261 ( 0.000 -2.152 0.000) 2.152 1.289 ( 0.000 -0.895 0.000) 0.895 1.293 ( 0.000 2.392 0.000) 2.392 1.305 ( 0.000 -1.520 0.000) 1.520 1.383 ( 0.000 0.379 0.000) 0.379 1.385 ( 0.000 -4.635 0.000) 4.635 1.414 ( 0.000 0.765 0.000) 0.765 1.509 ( 0.000 -1.955 0.000) 1.955 1.519 ( 0.000 -3.353 0.000) 3.353 1.526 ( 0.000 -1.373 0.000) 1.373 1.598 ( 0.000 -3.583 0.000) 3.583 1.621 ( 0.000 -0.181 0.000) 0.181 1.642 ( 0.000 -1.842 0.000) 1.842 1.675 ( 0.000 -2.661 0.000) 2.661 1.700 ( 0.000 -4.243 0.000) 4.243 1.745 ( 0.000 0.512 0.000) 0.512 1.774 ( 0.000 -0.345 0.000) 0.345 1.834 ( 0.000 -2.814 0.000) 2.814 1.881 ( 0.000 -5.037 0.000) 5.037 1.998 ( 0.000 2.030 0.000) 2.030 2.012 ( 0.000 0.516 0.000) 0.516 2.083 ( 0.000 0.967 0.000) 0.967 2.095 ( 0.000 3.789 0.000) 3.789 2.141 ( 0.000 -0.338 0.000) 0.338 2.213 ( 0.000 2.086 0.000) 2.086 2.268 ( 0.000 0.203 0.000) 0.203 2.282 ( 0.000 4.640 0.000) 4.640 2.375 ( 0.000 3.636 0.000) 3.636 2.406 ( 0.000 -2.507 0.000) 2.507 2.409 ( 0.000 -0.515 0.000) 0.515 2.472 ( 0.000 3.072 0.000) 3.072 2.508 ( 0.000 -2.171 0.000) 2.171 2.539 ( 0.000 -0.263 0.000) 0.263 2.550 ( 0.000 4.354 0.000) 4.354 2.567 ( 0.000 -2.514 0.000) 2.514 2.628 ( 0.000 -0.470 0.000) 0.470 2.637 ( 0.000 -2.832 0.000) 2.832 2.645 ( 0.000 -0.427 0.000) 0.427 2.714 ( 0.000 -1.390 0.000) 1.390 2.716 ( 0.000 -1.683 0.000) 1.683 2.735 ( 0.000 -0.410 0.000) 0.410 2.737 ( 0.000 1.389 0.000) 1.389 2.781 ( 0.000 1.400 0.000) 1.400 2.806 ( 0.000 -1.137 0.000) 1.137 2.824 ( 0.000 0.364 0.000) 0.364 2.904 ( 0.000 0.666 0.000) 0.666 2.924 ( 0.000 -1.593 0.000) 1.593 2.972 ( 0.000 0.554 0.000) 0.554 2.989 ( 0.000 2.088 0.000) 2.088 3.009 ( 0.000 -1.503 0.000) 1.503 3.027 ( 0.000 -1.322 0.000) 1.322 3.053 ( 0.000 0.719 0.000) 0.719 3.114 ( 0.000 -1.577 0.000) 1.577 3.193 ( 0.000 -0.603 0.000) 0.603 3.222 ( 0.000 3.159 0.000) 3.159 3.280 ( 0.000 1.208 0.000) 1.208 3.285 ( 0.000 -2.094 0.000) 2.094 3.297 ( 0.000 -0.416 0.000) 0.416 3.308 ( 0.000 -0.044 0.000) 0.044 3.310 ( 0.000 1.111 0.000) 1.111 3.398 ( 0.000 0.662 0.000) 0.662 3.412 ( 0.000 -0.941 0.000) 0.941 3.433 ( 0.000 1.382 0.000) 1.382 3.465 ( 0.000 -2.478 0.000) 2.478 3.487 ( 0.000 1.138 0.000) 1.138 3.537 ( 0.000 0.550 0.000) 0.550 3.544 ( 0.000 -0.560 0.000) 0.560 3.613 ( 0.000 -2.268 0.000) 2.268 3.650 ( 0.000 0.810 0.000) 0.810 3.698 ( 0.000 3.834 0.000) 3.834 3.721 ( 0.000 3.027 0.000) 3.027 3.781 ( 0.000 -0.702 0.000) 0.702 3.842 ( 0.000 -0.666 0.000) 0.666 3.847 ( 0.000 0.447 0.000) 0.447 3.859 ( 0.000 -0.902 0.000) 0.902 3.945 ( 0.000 0.606 0.000) 0.606 3.980 ( 0.000 -0.282 0.000) 0.282 4.062 ( 0.000 2.172 0.000) 2.172 4.114 ( 0.000 0.015 0.000) 0.015 4.191 ( 0.000 1.608 0.000) 1.608 4.257 ( 0.000 -0.708 0.000) 0.708 4.278 ( 0.000 0.009 0.000) 0.009 4.296 ( 0.000 -0.688 0.000) 0.688 4.306 ( 0.000 -0.541 0.000) 0.541 4.363 ( 0.000 -1.833 0.000) 1.833 4.457 ( 0.000 0.292 0.000) 0.292 4.459 ( 0.000 -0.424 0.000) 0.424 4.578 ( 0.000 -0.097 0.000) 0.097 4.589 ( 0.000 -0.532 0.000) 0.532 4.675 ( 0.000 0.015 0.000) 0.015 4.696 ( 0.000 -0.322 0.000) 0.322 5.743 ( 0.000 -0.525 0.000) 0.525 5.766 ( 0.000 -1.096 0.000) 1.096 5.906 ( 0.000 -0.488 0.000) 0.488 5.935 ( 0.000 -1.878 0.000) 1.878 6.128 ( 0.000 -0.304 0.000) 0.304 6.175 ( 0.000 -0.639 0.000) 0.639 6.258 ( 0.000 1.371 0.000) 1.371 6.358 ( 0.000 -2.223 0.000) 2.223 6.461 ( 0.000 -0.599 0.000) 0.599 6.481 ( 0.000 -1.428 0.000) 1.428 6.567 ( 0.000 1.881 0.000) 1.881 6.612 ( 0.000 0.451 0.000) 0.451 6.633 ( 0.000 -0.127 0.000) 0.127 6.654 ( 0.000 0.158 0.000) 0.158 6.736 ( 0.000 -0.046 0.000) 0.046 6.761 ( 0.000 -0.406 0.000) 0.406 7.067 ( 0.000 0.588 0.000) 0.588 7.078 ( 0.000 1.156 0.000) 1.156 7.124 ( 0.000 -0.260 0.000) 0.260 7.142 ( 0.000 -1.001 0.000) 1.001 7.296 ( 0.000 -0.893 0.000) 0.893 7.303 ( 0.000 -1.636 0.000) 1.636 7.316 ( 0.000 -1.042 0.000) 1.042 7.352 ( 0.000 -2.321 0.000) 2.321 7.438 ( 0.000 1.592 0.000) 1.592 7.460 ( 0.000 -0.544 0.000) 0.544 7.474 ( 0.000 -0.715 0.000) 0.715 7.532 ( 0.000 -1.731 0.000) 1.731 7.652 ( 0.000 0.808 0.000) 0.808 7.692 ( 0.000 -1.168 0.000) 1.168 7.802 ( 0.000 -0.144 0.000) 0.144 7.812 ( 0.000 0.184 0.000) 0.184 7.848 ( 0.000 -0.058 0.000) 0.058 7.892 ( 0.000 -2.026 0.000) 2.026 7.966 ( 0.000 1.546 0.000) 1.546 8.010 ( 0.000 -0.015 0.000) 0.015======================= Grid point 11 (8/44) =======================q-point: ( 0.20 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( 0.132 10.759 1.537) 10.869 0.561 ( 3.427 7.814 2.905) 9.014 0.654 ( -4.414 5.726 -1.047) 7.306 0.734 ( -0.100 1.260 -0.135) 1.271 0.814 ( -0.196 7.275 -0.649) 7.306 0.830 ( -1.300 3.176 2.549) 4.275 0.855 ( 1.743 1.898 -3.310) 4.195 0.902 ( 0.703 -0.614 -0.844) 1.258 0.937 ( -3.055 2.996 -0.702) 4.336 0.981 ( 1.110 0.673 0.349) 1.345 1.004 ( -0.248 4.199 0.606) 4.250 1.035 ( -2.299 1.893 -2.867) 4.134 1.068 ( -1.418 -0.401 -0.330) 1.510 1.095 ( -1.601 -1.264 -0.025) 2.040 1.131 ( -0.151 1.538 -2.290) 2.763 1.211 ( -1.621 -0.444 1.086) 2.001 1.236 ( 0.761 -0.239 -2.401) 2.530 1.269 ( -0.536 0.539 0.829) 1.125 1.281 ( 0.350 -2.393 0.153) 2.423 1.304 ( -0.183 0.678 0.738) 1.019 1.333 ( 0.338 -0.812 2.958) 3.086 1.371 ( -0.767 -1.023 -0.516) 1.378 1.382 ( 0.053 0.109 -0.356) 0.376 1.436 ( 0.402 -0.228 1.389) 1.463 1.477 ( -0.711 -0.320 -2.413) 2.536 1.502 ( -2.001 -1.970 1.800) 3.336 1.548 ( 0.581 -2.328 1.074) 2.629 1.569 ( -2.210 -0.990 -0.781) 2.545 1.640 ( 2.083 -0.117 -0.185) 2.094 1.665 ( 2.364 -3.846 -0.933) 4.610 1.686 ( -0.210 -2.021 0.784) 2.178 1.711 ( 0.347 -2.887 1.783) 3.411 1.743 ( 0.980 -0.064 -1.204) 1.554 1.771 ( 0.830 -1.229 -1.605) 2.185 1.839 ( 0.239 -3.586 0.384) 3.614 1.876 ( -1.530 -3.606 1.560) 4.217 2.004 ( 2.029 2.043 -0.921) 3.023 2.044 ( 2.329 0.163 -0.231) 2.346 2.075 ( 1.291 2.663 -0.430) 2.991 2.126 ( 1.431 2.623 -0.127) 2.990 2.163 ( 0.423 -0.709 1.894) 2.066 2.215 ( 0.207 2.676 0.135) 2.687 2.228 ( -3.633 -0.060 0.873) 3.737 2.286 ( -0.614 3.672 -0.511) 3.758 2.331 ( -1.360 2.507 -2.064) 3.520 2.377 ( -2.927 -0.306 0.293) 2.957 2.429 ( 0.068 -0.330 0.347) 0.483 2.462 ( -1.657 0.875 0.766) 2.025 2.493 ( -4.116 0.732 1.283) 4.373 2.519 ( 0.182 -1.575 -0.080) 1.587 2.534 ( 0.011 -0.908 -1.645) 1.879 2.573 ( -2.054 -0.010 0.855) 2.225 2.600 ( -1.906 0.573 0.271) 2.009 2.621 ( 1.127 0.959 -2.967) 3.316 2.659 ( 0.051 -1.156 0.846) 1.434 2.692 ( 0.156 -2.821 0.154) 2.830 2.735 ( -0.622 0.451 0.059) 0.770 2.741 ( 1.607 1.021 -1.181) 2.240 2.760 ( 0.390 -0.598 2.262) 2.372 2.783 ( -0.559 0.402 1.429) 1.586 2.811 ( 0.591 -0.307 0.291) 0.727 2.826 ( 0.447 0.288 -0.469) 0.709 2.894 ( 0.005 0.664 -1.726) 1.849 2.918 ( -0.578 -0.940 0.130) 1.111 2.929 ( -1.746 0.298 -1.959) 2.641 2.951 ( -0.577 0.893 -2.256) 2.494 3.028 ( 2.297 -1.620 0.405) 2.840 3.083 ( 3.260 -2.058 1.661) 4.198 3.106 ( 3.178 0.829 1.065) 3.453 3.154 ( 2.466 -0.245 0.009) 2.478 3.182 ( -0.092 -1.482 0.135) 1.491 3.211 ( -0.172 2.743 -1.080) 2.953 3.275 ( -1.261 0.614 0.254) 1.425 3.282 ( -1.210 -0.196 -1.112) 1.655 3.291 ( -0.029 -0.667 0.693) 0.962 3.300 ( -0.051 1.095 0.245) 1.123 3.314 ( 0.527 -1.105 1.039) 1.605 3.385 ( 0.206 0.789 -0.863) 1.187 3.419 ( 0.021 -0.955 -3.460) 3.590 3.449 ( 1.123 1.104 0.966) 1.848 3.478 ( 2.230 -0.112 0.046) 2.233 3.491 ( 0.717 -0.268 -0.489) 0.909 3.522 ( -1.562 0.423 0.938) 1.871 3.532 ( -1.002 -0.546 -0.617) 1.297 3.619 ( -0.153 -1.069 1.572) 1.907 3.660 ( 0.746 -0.189 -0.252) 0.810 3.703 ( -0.300 2.969 1.525) 3.351 3.730 ( 0.642 1.994 -0.006) 2.094 3.783 ( -0.841 -0.269 1.860) 2.059 3.839 ( -0.097 -0.507 0.276) 0.585 3.857 ( 0.007 0.585 1.057) 1.208 3.870 ( 0.033 -1.005 0.702) 1.227 3.938 ( 0.571 0.939 -2.028) 2.307 3.993 ( 1.027 -0.587 0.361) 1.237 4.042 ( -0.516 1.743 -0.900) 2.028 4.090 ( -1.119 0.052 -1.485) 1.860 4.225 ( 1.745 0.912 1.609) 2.543 4.273 ( 0.018 -0.666 -0.536) 0.855 4.281 ( 0.781 0.484 0.114) 0.926 4.293 ( -0.269 -0.474 -0.314) 0.629 4.311 ( 0.618 -0.647 1.006) 1.346 4.323 ( -1.713 -0.459 -1.440) 2.285 4.454 ( -0.107 0.576 -0.167) 0.609 4.483 ( 0.692 -0.938 1.551) 1.940 4.573 ( -0.228 0.305 -0.292) 0.480 4.585 ( -0.229 -0.702 -0.314) 0.802 4.677 ( 0.066 -0.271 0.066) 0.287 4.692 ( -0.098 -0.403 -0.383) 0.564 5.744 ( 0.259 -0.495 -0.121) 0.572 5.771 ( 0.409 -1.184 0.163) 1.263 5.897 ( -0.292 -0.286 -0.702) 0.812 5.947 ( 0.649 -2.239 0.715) 2.438 6.129 ( 0.147 -0.205 0.029) 0.254 6.174 ( -0.265 -0.590 0.123) 0.658 6.258 ( -0.183 1.304 0.252) 1.341 6.328 ( -2.451 -0.711 -1.006) 2.743 6.455 ( -0.183 -0.092 -0.381) 0.433 6.486 ( -0.517 -1.459 1.246) 1.987 6.542 ( 0.390 3.229 -2.255) 3.958 6.609 ( -0.008 0.467 -0.506) 0.689 6.634 ( -0.069 -0.063 0.423) 0.433 6.660 ( 0.608 -0.015 0.206) 0.642 6.751 ( 0.662 -0.800 0.358) 1.098 6.761 ( 0.173 -0.489 -0.113) 0.531 7.061 ( -0.139 0.821 -0.472) 0.957 7.089 ( 0.324 0.838 0.798) 1.201 7.122 ( 0.129 -0.231 -0.152) 0.305 7.147 ( -0.129 -0.875 0.548) 1.041 7.302 ( 0.524 -0.838 0.433) 1.079 7.307 ( 0.180 -1.335 -0.252) 1.371 7.331 ( 1.137 -1.513 0.537) 1.967 7.354 ( 0.436 -1.934 -0.337) 2.011 7.439 ( -0.731 0.036 0.772) 1.063 7.465 ( -0.074 -0.387 -0.135) 0.417 7.477 ( 0.319 -1.302 0.458) 1.416 7.513 ( -1.168 -1.549 -1.118) 2.239 7.655 ( 0.237 0.630 0.520) 0.851 7.695 ( 0.340 -1.200 0.089) 1.250 7.780 ( -0.236 0.440 -1.898) 1.963 7.810 ( -1.067 -0.095 -0.213) 1.092 7.852 ( -1.321 -0.588 1.605) 2.160 7.863 ( -2.145 0.085 0.667) 2.248 7.985 ( 1.534 0.002 -0.043) 1.534 8.016 ( 0.536 -0.061 0.043) 0.541======================= Grid point 12 (9/44) =======================q-point: ( 0.40 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.524 ( 3.633 5.729 2.026) 7.080 0.563 ( 0.933 6.359 -2.739) 6.986 0.634 ( -0.236 1.723 -1.227) 2.128 0.732 ( -3.108 5.313 3.866) 7.269 0.754 ( -0.964 3.218 -1.718) 3.773 0.814 ( -3.817 2.421 -1.047) 4.640 0.849 ( 1.696 2.705 -1.520) 3.536 0.871 ( -2.165 4.301 1.424) 5.022 0.948 ( -0.377 0.578 3.293) 3.364 0.974 ( -0.460 -0.039 -3.083) 3.117 0.988 ( -1.016 0.533 1.924) 2.240 1.011 ( 1.140 0.154 0.187) 1.165 1.058 ( 0.063 -0.271 -1.922) 1.942 1.077 ( 0.906 -0.377 -0.255) 1.014 1.096 ( -1.171 1.667 -1.816) 2.729 1.199 ( 0.375 -0.641 0.466) 0.877 1.239 ( -0.532 2.062 0.098) 2.132 1.268 ( 1.262 0.393 -0.118) 1.327 1.307 ( -0.481 -1.364 0.773) 1.640 1.310 ( -0.486 -1.196 2.009) 2.388 1.338 ( -0.778 -0.283 -0.945) 1.257 1.351 ( 0.681 0.457 -0.651) 1.047 1.380 ( -0.148 -0.709 -0.628) 0.959 1.439 ( -1.193 -1.372 0.032) 1.819 1.445 ( 0.288 -1.681 -0.680) 1.836 1.502 ( -1.177 1.041 -0.893) 1.808 1.550 ( 0.649 -0.346 2.335) 2.448 1.573 ( 1.033 -1.175 0.440) 1.625 1.666 ( 0.046 -1.879 0.560) 1.961 1.667 ( -0.475 -3.216 -0.218) 3.258 1.684 ( 0.958 -0.197 -2.122) 2.336 1.730 ( -1.056 -1.933 1.046) 2.438 1.736 ( 0.327 0.094 -0.732) 0.807 1.796 ( 3.163 -0.967 -0.024) 3.308 1.854 ( 0.610 -4.598 0.368) 4.653 1.861 ( -2.054 -2.592 0.693) 3.379 2.029 ( 1.168 2.254 0.056) 2.539 2.074 ( 1.184 1.660 0.248) 2.054 2.103 ( 3.000 2.212 -1.499) 4.018 2.127 ( 0.008 1.879 -0.976) 2.117 2.175 ( -1.319 -0.035 1.767) 2.206 2.180 ( -3.345 0.784 0.677) 3.502 2.231 ( 1.743 1.363 -0.412) 2.251 2.250 ( -2.628 1.773 0.757) 3.260 2.308 ( -1.204 1.324 -0.166) 1.797 2.353 ( 2.212 2.204 -0.915) 3.254 2.410 ( -3.893 2.289 -0.696) 4.570 2.420 ( -1.207 -1.673 0.074) 2.065 2.481 ( -0.422 1.307 2.253) 2.639 2.503 ( -0.217 -1.008 -1.041) 1.465 2.520 ( 0.001 0.433 -1.525) 1.585 2.553 ( -1.461 -0.199 0.624) 1.601 2.592 ( 1.420 0.058 0.751) 1.608 2.624 ( -0.519 0.089 0.040) 0.528 2.667 ( -0.256 -2.361 1.063) 2.602 2.687 ( -0.025 -0.761 -2.076) 2.211 2.721 ( 0.116 -0.227 0.749) 0.791 2.746 ( -0.537 1.011 -0.281) 1.179 2.784 ( -0.086 1.374 1.780) 2.250 2.802 ( 0.235 -0.048 0.997) 1.025 2.817 ( 1.405 -0.540 -2.370) 2.808 2.828 ( 0.011 0.075 -0.139) 0.158 2.874 ( 0.205 0.530 -0.661) 0.872 2.893 ( -1.331 -0.117 -0.289) 1.367 2.910 ( -0.025 -0.687 -0.397) 0.794 2.937 ( 0.358 -0.032 -0.379) 0.522 3.062 ( 0.801 -1.785 0.430) 2.003 3.139 ( 0.328 -2.200 0.628) 2.311 3.149 ( 1.367 1.411 0.909) 2.164 3.159 ( 0.908 -0.172 -1.131) 1.461 3.192 ( 0.445 0.832 -1.094) 1.445 3.223 ( 2.042 0.934 0.268) 2.262 3.244 ( -0.585 -0.937 -0.471) 1.201 3.263 ( -1.380 1.254 -0.258) 1.882 3.303 ( -0.017 -0.956 0.975) 1.365 3.315 ( 0.371 -1.956 0.867) 2.172 3.341 ( 0.628 -1.044 1.537) 1.961 3.369 ( -0.453 0.264 -2.178) 2.240 3.392 ( 0.559 1.528 0.379) 1.671 3.438 ( -1.181 1.593 -2.668) 3.324 3.483 ( 1.392 0.726 -0.020) 1.570 3.500 ( 0.248 0.027 -0.651) 0.697 3.505 ( -1.657 0.127 0.412) 1.712 3.570 ( 2.717 -0.754 1.900) 3.400 3.621 ( -1.382 -1.145 -0.057) 1.795 3.664 ( -0.168 -0.957 0.045) 0.973 3.715 ( 0.515 1.479 0.140) 1.573 3.739 ( -0.206 1.193 0.674) 1.386 3.804 ( 0.060 0.154 1.961) 1.967 3.851 ( 0.660 0.185 0.789) 1.045 3.863 ( -0.513 0.204 0.737) 0.920 3.873 ( -0.409 0.105 0.414) 0.592 3.909 ( -0.237 1.439 -2.614) 2.993 3.999 ( 0.042 -0.489 -0.888) 1.015 4.043 ( 0.416 0.384 0.320) 0.651 4.071 ( 0.129 0.014 -0.097) 0.162 4.239 ( -1.186 0.890 -1.750) 2.294 4.256 ( 0.517 -0.313 0.217) 0.642 4.270 ( -0.297 0.096 -0.066) 0.319 4.283 ( -0.326 0.050 -0.058) 0.335 4.339 ( 1.349 -0.079 0.475) 1.433 4.340 ( 0.578 -0.580 1.460) 1.674 4.446 ( -0.395 1.037 -0.268) 1.141 4.506 ( 0.318 -1.171 0.617) 1.362 4.569 ( 0.039 0.192 -0.149) 0.246 4.575 ( -0.328 -0.781 -0.344) 0.915 4.675 ( -0.118 -0.078 -0.155) 0.210 4.689 ( -0.003 -0.591 -0.055) 0.593 5.747 ( 0.163 -0.454 -0.048) 0.484 5.779 ( 0.244 -1.309 0.088) 1.335 5.887 ( -0.123 0.005 -0.319) 0.342 5.965 ( 0.449 -3.146 0.436) 3.208 6.132 ( 0.118 0.052 0.019) 0.130 6.171 ( -0.183 -0.534 0.062) 0.568 6.261 ( 0.325 1.135 0.288) 1.215 6.281 ( -1.603 0.828 -0.621) 1.908 6.451 ( 0.069 0.008 -0.140) 0.156 6.491 ( -0.377 -1.682 0.754) 1.882 6.533 ( 0.581 3.109 -0.977) 3.310 6.605 ( 0.008 0.408 -0.129) 0.428 6.639 ( 0.030 -0.197 0.264) 0.331 6.674 ( 0.485 -0.449 0.201) 0.690 6.759 ( 0.247 -0.819 -0.058) 0.857 6.763 ( -0.012 -0.655 0.044) 0.657 7.054 ( -0.081 0.963 -0.198) 0.986 7.101 ( 0.189 0.688 0.363) 0.800 7.125 ( 0.225 -0.367 0.030) 0.431 7.149 ( -0.133 -0.640 0.217) 0.689 7.304 ( 0.083 -0.760 -0.258) 0.807 7.325 ( 1.070 -0.687 0.638) 1.422 7.348 ( 0.153 -1.064 -0.285) 1.112 7.358 ( 0.555 -1.399 0.397) 1.557 7.418 ( -1.700 -0.624 -0.878) 2.013 7.457 ( -0.405 -0.287 0.319) 0.590 7.483 ( 0.138 -1.558 -0.227) 1.581 7.492 ( -0.281 -2.262 -0.210) 2.289 7.676 ( 0.997 0.032 1.055) 1.452 7.699 ( -0.110 -0.907 -0.369) 0.985 7.757 ( -0.130 1.124 -0.921) 1.459 7.781 ( -1.446 0.284 -0.248) 1.494 7.833 ( -1.038 0.590 0.476) 1.286 7.863 ( -0.223 -1.167 0.508) 1.292 8.006 ( 1.089 -0.630 -0.141) 1.265 8.021 ( -0.224 -0.001 0.192) 0.295======================= Grid point 15 (10/44) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( 0.000 8.673 0.000) 8.673 0.684 ( 0.000 4.759 0.000) 4.759 0.727 ( 0.000 -0.664 0.000) 0.664 0.762 ( 0.000 -4.974 0.000) 4.974 0.852 ( 0.000 5.974 0.000) 5.974 0.908 ( 0.000 5.162 0.000) 5.162 0.913 ( 0.000 -0.723 0.000) 0.723 0.949 ( 0.000 3.333 0.000) 3.333 1.015 ( 0.000 0.476 0.000) 0.476 1.034 ( 0.000 0.304 0.000) 0.304 1.067 ( 0.000 4.662 0.000) 4.662 1.077 ( 0.000 2.753 0.000) 2.753 1.122 ( 0.000 -0.280 0.000) 0.280 1.143 ( 0.000 0.274 0.000) 0.274 1.171 ( 0.000 0.350 0.000) 0.350 1.212 ( 0.000 -1.081 0.000) 1.081 1.213 ( 0.000 -2.491 0.000) 2.491 1.219 ( 0.000 -4.518 0.000) 4.518 1.238 ( 0.000 0.370 0.000) 0.370 1.272 ( 0.000 -1.596 0.000) 1.596 1.307 ( 0.000 -0.991 0.000) 0.991 1.322 ( 0.000 -0.645 0.000) 0.645 1.402 ( 0.000 1.281 0.000) 1.281 1.426 ( 0.000 -1.272 0.000) 1.272 1.464 ( 0.000 -0.535 0.000) 0.535 1.470 ( 0.000 -0.529 0.000) 0.529 1.505 ( 0.000 0.218 0.000) 0.218 1.578 ( 0.000 -2.154 0.000) 2.154 1.591 ( 0.000 -3.034 0.000) 3.034 1.605 ( 0.000 -0.631 0.000) 0.631 1.642 ( 0.000 0.165 0.000) 0.165 1.648 ( 0.000 -0.723 0.000) 0.723 1.772 ( 0.000 1.659 0.000) 1.659 1.781 ( 0.000 -0.097 0.000) 0.097 1.788 ( 0.000 -1.537 0.000) 1.537 1.802 ( 0.000 -2.327 0.000) 2.327 2.021 ( 0.000 0.370 0.000) 0.370 2.021 ( 0.000 0.402 0.000) 0.402 2.111 ( 0.000 1.147 0.000) 1.147 2.118 ( 0.000 0.087 0.000) 0.087 2.204 ( 0.000 4.852 0.000) 4.852 2.251 ( 0.000 1.360 0.000) 1.360 2.289 ( 0.000 1.141 0.000) 1.141 2.322 ( 0.000 -1.795 0.000) 1.795 2.370 ( 0.000 -0.605 0.000) 0.605 2.393 ( 0.000 1.612 0.000) 1.612 2.433 ( 0.000 0.459 0.000) 0.459 2.455 ( 0.000 -5.373 0.000) 5.373 2.510 ( 0.000 3.331 0.000) 3.331 2.523 ( 0.000 2.108 0.000) 2.108 2.555 ( 0.000 -1.067 0.000) 1.067 2.577 ( 0.000 -2.831 0.000) 2.831 2.621 ( 0.000 0.508 0.000) 0.508 2.621 ( 0.000 -0.916 0.000) 0.916 2.633 ( 0.000 0.670 0.000) 0.670 2.664 ( 0.000 -3.166 0.000) 3.166 2.685 ( 0.000 2.279 0.000) 2.279 2.751 ( 0.000 -1.434 0.000) 1.434 2.777 ( 0.000 1.537 0.000) 1.537 2.785 ( 0.000 0.274 0.000) 0.274 2.809 ( 0.000 0.974 0.000) 0.974 2.828 ( 0.000 -0.442 0.000) 0.442 2.891 ( 0.000 -0.430 0.000) 0.430 2.903 ( 0.000 -0.599 0.000) 0.599 2.959 ( 0.000 -0.775 0.000) 0.775 2.974 ( 0.000 -1.843 0.000) 1.843 3.031 ( 0.000 2.042 0.000) 2.042 3.037 ( 0.000 2.041 0.000) 2.041 3.064 ( 0.000 -0.549 0.000) 0.549 3.077 ( 0.000 -2.298 0.000) 2.298 3.205 ( 0.000 1.646 0.000) 1.646 3.238 ( 0.000 -1.452 0.000) 1.452 3.262 ( 0.000 0.001 0.000) 0.001 3.277 ( 0.000 -1.069 0.000) 1.069 3.309 ( 0.000 1.763 0.000) 1.763 3.318 ( 0.000 1.748 0.000) 1.748 3.331 ( 0.000 0.379 0.000) 0.379 3.383 ( 0.000 -3.818 0.000) 3.818 3.409 ( 0.000 0.496 0.000) 0.496 3.418 ( 0.000 0.084 0.000) 0.084 3.478 ( 0.000 1.648 0.000) 1.648 3.496 ( 0.000 -0.215 0.000) 0.215 3.539 ( 0.000 -0.105 0.000) 0.105 3.542 ( 0.000 -0.529 0.000) 0.529 3.609 ( 0.000 2.038 0.000) 2.038 3.645 ( 0.000 -1.234 0.000) 1.234 3.766 ( 0.000 1.407 0.000) 1.407 3.767 ( 0.000 2.241 0.000) 2.241 3.780 ( 0.000 1.409 0.000) 1.409 3.827 ( 0.000 -0.552 0.000) 0.552 3.828 ( 0.000 -2.165 0.000) 2.165 3.837 ( 0.000 -1.372 0.000) 1.372 3.955 ( 0.000 0.795 0.000) 0.795 3.971 ( 0.000 -0.697 0.000) 0.697 4.102 ( 0.000 1.744 0.000) 1.744 4.119 ( 0.000 0.002 0.000) 0.002 4.220 ( 0.000 1.331 0.000) 1.331 4.241 ( 0.000 -0.965 0.000) 0.965 4.280 ( 0.000 0.101 0.000) 0.101 4.284 ( 0.000 -0.405 0.000) 0.405 4.305 ( 0.000 0.592 0.000) 0.592 4.328 ( 0.000 -1.690 0.000) 1.690 4.455 ( 0.000 0.010 0.000) 0.010 4.457 ( 0.000 -0.179 0.000) 0.179 4.578 ( 0.000 0.082 0.000) 0.082 4.581 ( 0.000 -0.253 0.000) 0.253 4.678 ( 0.000 0.288 0.000) 0.288 4.686 ( 0.000 -0.580 0.000) 0.580 5.738 ( 0.000 0.092 0.000) 0.092 5.747 ( 0.000 -0.785 0.000) 0.785 5.898 ( 0.000 -0.160 0.000) 0.160 5.906 ( 0.000 -1.030 0.000) 1.030 6.134 ( 0.000 0.907 0.000) 0.907 6.156 ( 0.000 -1.237 0.000) 1.237 6.285 ( 0.000 1.456 0.000) 1.456 6.317 ( 0.000 -1.962 0.000) 1.962 6.454 ( 0.000 -0.083 0.000) 0.083 6.460 ( 0.000 -0.727 0.000) 0.727 6.603 ( 0.000 1.561 0.000) 1.561 6.616 ( 0.000 -0.044 0.000) 0.044 6.633 ( 0.000 0.269 0.000) 0.269 6.647 ( 0.000 -0.834 0.000) 0.834 6.740 ( 0.000 0.451 0.000) 0.451 6.751 ( 0.000 -0.615 0.000) 0.615 7.081 ( 0.000 0.777 0.000) 0.777 7.091 ( 0.000 -0.016 0.000) 0.016 7.122 ( 0.000 0.027 0.000) 0.027 7.126 ( 0.000 -0.525 0.000) 0.525 7.281 ( 0.000 -0.528 0.000) 0.528 7.283 ( 0.000 -0.511 0.000) 0.511 7.303 ( 0.000 -0.060 0.000) 0.060 7.316 ( 0.000 -1.372 0.000) 1.372 7.453 ( 0.000 -0.087 0.000) 0.087 7.459 ( 0.000 -0.646 0.000) 0.646 7.468 ( 0.000 1.548 0.000) 1.548 7.499 ( 0.000 -1.696 0.000) 1.696 7.665 ( 0.000 0.603 0.000) 0.603 7.676 ( 0.000 -0.606 0.000) 0.606 7.803 ( 0.000 0.299 0.000) 0.299 7.810 ( 0.000 -0.368 0.000) 0.368 7.851 ( 0.000 0.350 0.000) 0.350 7.863 ( 0.000 -1.019 0.000) 1.019 7.990 ( 0.000 1.011 0.000) 1.011 8.005 ( 0.000 -0.540 0.000) 0.540======================= Grid point 16 (11/44) =======================q-point: ( 0.20 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -0.888 6.630 -0.918) 6.752 0.670 ( 0.399 2.597 -1.534) 3.043 0.734 ( -0.146 2.677 0.803) 2.798 0.803 ( -0.044 1.542 1.463) 2.126 0.813 ( 0.269 0.444 0.903) 1.041 0.880 ( -4.289 -0.294 -0.067) 4.300 0.918 ( -1.315 1.897 -1.433) 2.717 0.947 ( 0.334 3.491 0.347) 3.524 0.972 ( -1.815 2.793 -2.097) 3.936 1.008 ( -2.079 0.803 -2.514) 3.359 1.038 ( -4.204 0.761 0.728) 4.333 1.059 ( -2.066 0.287 -2.448) 3.216 1.070 ( -2.297 -0.134 -1.260) 2.623 1.081 ( -1.642 0.200 1.499) 2.232 1.136 ( -1.456 -3.119 -0.770) 3.527 1.153 ( -0.006 -3.038 -2.713) 4.072 1.242 ( 1.047 1.760 0.873) 2.226 1.267 ( 1.233 0.192 2.184) 2.516 1.277 ( 1.525 0.110 0.488) 1.605 1.288 ( 1.326 -1.623 2.505) 3.266 1.335 ( 0.446 0.632 0.092) 0.779 1.355 ( 0.349 -0.923 0.429) 1.076 1.400 ( 0.350 1.766 -0.823) 1.980 1.423 ( 0.042 -0.895 -1.542) 1.783 1.472 ( 0.589 -0.692 0.794) 1.207 1.488 ( 0.152 0.407 -1.097) 1.180 1.495 ( 0.961 -0.534 0.864) 1.398 1.569 ( 0.013 -5.391 -1.244) 5.533 1.585 ( -0.300 1.718 0.055) 1.745 1.619 ( 0.805 -1.711 0.146) 1.896 1.663 ( 0.576 -0.477 1.436) 1.619 1.674 ( 1.471 -1.412 1.242) 2.387 1.748 ( -1.633 0.085 1.047) 1.942 1.755 ( 0.011 -0.284 -0.248) 0.377 1.804 ( 0.373 0.238 0.315) 0.544 1.827 ( 0.599 -1.734 0.737) 1.977 2.031 ( 2.310 0.918 -1.174) 2.749 2.042 ( 2.403 -0.299 -0.491) 2.471 2.130 ( 1.018 2.150 1.517) 2.821 2.144 ( 0.992 0.053 1.852) 2.101 2.196 ( -0.946 2.857 0.072) 3.010 2.227 ( -3.283 -0.038 -1.058) 3.450 2.263 ( 1.659 2.089 -1.052) 2.867 2.310 ( -3.107 -2.202 -1.662) 4.155 2.364 ( 2.518 2.065 -2.229) 3.946 2.393 ( -1.672 1.131 0.024) 2.018 2.428 ( -0.725 0.379 1.395) 1.617 2.452 ( -2.265 -1.955 2.592) 3.958 2.470 ( -5.508 -0.502 1.025) 5.625 2.488 ( -1.933 -1.936 0.378) 2.762 2.540 ( 0.026 0.703 0.588) 0.917 2.574 ( 1.131 0.420 -0.517) 1.313 2.608 ( -2.724 -0.775 0.172) 2.837 2.633 ( 0.340 -1.356 -1.333) 1.932 2.644 ( 0.398 1.555 -0.299) 1.633 2.667 ( -1.039 0.272 -0.264) 1.106 2.716 ( 2.436 -0.601 1.377) 2.862 2.742 ( 0.633 -1.475 0.065) 1.607 2.775 ( 0.412 1.662 -0.519) 1.789 2.795 ( 0.316 0.274 0.769) 0.875 2.813 ( 0.553 0.174 -0.098) 0.588 2.821 ( 0.119 -0.736 -0.997) 1.245 2.894 ( 0.070 0.304 -0.059) 0.317 2.907 ( 0.536 -0.286 -0.301) 0.678 2.943 ( -2.065 0.652 -1.043) 2.404 2.958 ( -1.384 -0.622 -1.663) 2.251 3.017 ( 1.961 0.836 -0.164) 2.138 3.043 ( 2.412 -1.678 0.522) 2.984 3.117 ( 3.081 0.273 0.698) 3.171 3.135 ( 2.911 -1.561 1.632) 3.684 3.191 ( 0.206 1.906 -1.594) 2.494 3.226 ( -0.118 -1.372 -1.297) 1.892 3.265 ( -0.024 -0.305 -0.365) 0.476 3.274 ( -0.554 -0.793 -0.687) 1.187 3.297 ( -0.226 1.402 -0.430) 1.484 3.313 ( -0.572 0.707 0.941) 1.309 3.323 ( -0.168 1.299 -0.603) 1.442 3.379 ( -0.010 -3.119 -0.594) 3.175 3.414 ( 0.589 1.750 -0.533) 1.922 3.444 ( 1.957 -1.134 0.458) 2.308 3.492 ( 1.158 1.460 0.289) 1.886 3.507 ( -0.058 0.839 1.123) 1.403 3.519 ( -0.594 -0.522 -1.233) 1.464 3.529 ( -0.754 -0.417 -0.287) 0.908 3.614 ( -0.945 1.100 1.642) 2.191 3.643 ( -0.498 -1.406 0.097) 1.495 3.748 ( -0.232 1.408 -1.279) 1.916 3.759 ( -0.755 0.446 -0.110) 0.884 3.801 ( -0.200 2.129 2.524) 3.308 3.831 ( 0.894 0.133 0.442) 1.007 3.839 ( -0.377 -1.781 1.167) 2.162 3.854 ( 0.355 -1.177 2.129) 2.458 3.956 ( 1.030 1.072 -1.493) 2.107 3.978 ( 1.117 -1.034 -0.753) 1.698 4.075 ( -1.156 1.487 -1.342) 2.313 4.092 ( -1.396 -0.218 -1.363) 1.963 4.243 ( 0.979 0.885 0.823) 1.556 4.258 ( 0.525 -0.774 0.097) 0.940 4.286 ( -0.122 0.056 -0.520) 0.537 4.293 ( 0.884 -0.294 1.013) 1.377 4.302 ( -0.497 0.435 0.251) 0.707 4.314 ( -0.136 -0.497 0.378) 0.639 4.461 ( 0.336 0.213 0.093) 0.408 4.468 ( 0.619 -0.601 0.653) 1.082 4.576 ( -0.173 0.131 -0.203) 0.298 4.579 ( -0.233 -0.180 -0.259) 0.392 4.675 ( -0.165 0.113 -0.010) 0.200 4.682 ( -0.251 -0.553 -0.241) 0.653 5.740 ( 0.240 0.144 0.002) 0.280 5.750 ( 0.309 -0.864 0.081) 0.922 5.894 ( -0.042 0.163 -0.406) 0.440 5.909 ( 0.256 -1.461 0.049) 1.484 6.136 ( 0.093 0.853 0.188) 0.878 6.156 ( -0.100 -1.122 0.154) 1.136 6.281 ( -0.384 1.194 0.061) 1.256 6.305 ( -1.011 -1.328 -0.298) 1.695 6.453 ( -0.106 0.115 0.071) 0.171 6.462 ( -0.122 -0.893 0.441) 1.003 6.594 ( -0.042 1.948 -0.899) 2.146 6.612 ( -0.006 -0.171 -0.576) 0.601 6.636 ( 0.121 0.426 0.217) 0.493 6.652 ( 0.376 -0.896 0.104) 0.977 6.744 ( 0.219 0.064 0.217) 0.315 6.751 ( 0.038 -0.534 -0.003) 0.535 7.078 ( 0.008 0.963 -0.285) 1.004 7.093 ( 0.184 -0.452 0.101) 0.499 7.123 ( 0.129 0.388 0.190) 0.451 7.132 ( 0.105 -0.599 0.491) 0.781 7.286 ( 0.595 -0.504 0.006) 0.780 7.289 ( 0.579 -0.604 0.378) 0.918 7.314 ( 1.112 -0.175 0.078) 1.128 7.324 ( 0.970 -1.122 -0.142) 1.490 7.448 ( -1.035 0.475 -0.120) 1.145 7.457 ( -0.308 -0.755 -0.070) 0.818 7.462 ( -0.343 0.495 -0.076) 0.606 7.484 ( -1.040 -1.470 -0.634) 1.909 7.666 ( 0.017 0.593 0.422) 0.728 7.678 ( 0.062 -0.690 0.359) 0.780 7.791 ( -0.297 0.636 -1.055) 1.267 7.803 ( -0.769 -0.597 -0.400) 1.053 7.850 ( -0.916 0.180 0.839) 1.255 7.856 ( -1.149 -0.474 0.695) 1.424 7.994 ( 0.661 0.798 -0.147) 1.047 8.009 ( 0.484 -0.642 -0.048) 0.806======================= Grid point 17 (12/44) =======================q-point: ( 0.40 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 0.485 3.612 0.579) 3.690 0.646 ( -0.414 0.745 -2.057) 2.227 0.712 ( -0.864 6.719 -0.080) 6.774 0.788 ( -3.175 0.467 -1.188) 3.422 0.826 ( -0.511 1.340 0.857) 1.671 0.854 ( -0.091 1.159 -0.422) 1.237 0.863 ( -0.706 -0.143 -0.279) 0.773 0.904 ( -1.340 -0.091 -2.125) 2.514 0.935 ( -2.043 0.330 0.432) 2.114 0.972 ( -1.218 -1.073 0.146) 1.630 1.008 ( -0.435 -0.087 -1.948) 1.998 1.010 ( -0.277 0.664 2.302) 2.412 1.067 ( 0.174 2.242 2.101) 3.078 1.093 ( 0.008 1.031 1.147) 1.542 1.125 ( 0.590 0.622 -2.714) 2.846 1.146 ( 1.265 -3.102 0.526) 3.391 1.266 ( 0.892 0.958 0.008) 1.309 1.281 ( 0.754 0.279 -0.773) 1.115 1.299 ( -0.833 -0.038 0.761) 1.129 1.312 ( -1.106 -0.569 -0.420) 1.313 1.330 ( -0.279 0.506 0.551) 0.798 1.353 ( 0.447 -1.171 0.880) 1.531 1.391 ( -0.721 2.451 0.392) 2.584 1.417 ( 0.144 -0.224 -0.121) 0.293 1.447 ( -0.679 2.612 -1.826) 3.258 1.507 ( 1.481 -2.391 -0.116) 2.815 1.526 ( 1.839 -1.884 -0.463) 2.673 1.542 ( -0.779 -1.269 -0.861) 1.719 1.580 ( -0.558 -2.884 -0.126) 2.940 1.606 ( -2.037 -2.937 -0.256) 3.584 1.686 ( 0.660 -0.498 0.612) 1.029 1.692 ( -0.593 -1.104 1.437) 1.907 1.769 ( 0.587 2.213 1.210) 2.590 1.789 ( 2.556 0.015 0.733) 2.659 1.811 ( 0.052 -0.162 0.785) 0.803 1.830 ( -0.271 -1.375 -0.759) 1.594 2.063 ( 2.140 1.293 -0.058) 2.501 2.080 ( 2.736 -0.414 -0.532) 2.818 2.145 ( -0.856 1.771 -0.145) 1.972 2.163 ( -0.275 1.216 -2.437) 2.738 2.171 ( -1.584 -0.221 1.856) 2.449 2.186 ( -0.492 -0.333 -0.821) 1.013 2.260 ( 0.180 2.178 1.795) 2.828 2.289 ( -0.243 0.650 0.905) 1.140 2.332 ( -1.755 1.194 -1.592) 2.654 2.370 ( -2.846 -2.018 -0.449) 3.518 2.404 ( 1.384 2.090 -0.877) 2.656 2.449 ( -0.121 -0.520 0.346) 0.636 2.455 ( -1.084 0.475 1.952) 2.283 2.491 ( -0.268 -1.533 1.463) 2.136 2.533 ( -1.342 1.586 0.684) 2.188 2.565 ( -0.373 -0.815 -2.059) 2.245 2.590 ( 1.091 0.171 -0.109) 1.110 2.614 ( -0.577 -1.887 -1.080) 2.250 2.632 ( -1.411 0.593 1.234) 1.966 2.662 ( -0.291 -1.051 0.433) 1.173 2.739 ( 1.003 1.420 -0.450) 1.796 2.759 ( 0.484 -0.156 -0.636) 0.814 2.785 ( -0.442 0.208 1.994) 2.053 2.798 ( -0.201 -0.628 -0.177) 0.682 2.819 ( 1.592 0.001 -1.373) 2.103 2.826 ( 0.652 -0.438 -0.414) 0.887 2.889 ( -0.578 0.991 0.428) 1.224 2.901 ( -0.916 1.389 -0.935) 1.909 2.909 ( -0.120 -0.197 -0.210) 0.312 2.929 ( -0.137 -0.956 -0.564) 1.118 3.052 ( 1.042 0.834 0.465) 1.414 3.086 ( 1.216 -2.525 0.625) 2.871 3.143 ( 0.457 0.667 -0.648) 1.036 3.182 ( 1.220 -2.388 -0.191) 2.688 3.201 ( 1.767 1.184 -0.412) 2.166 3.211 ( 0.056 -0.306 -0.511) 0.598 3.250 ( -0.479 0.427 -0.261) 0.693 3.260 ( -0.254 -0.947 -0.082) 0.984 3.296 ( -0.044 0.576 0.078) 0.583 3.305 ( -0.201 0.470 -0.551) 0.752 3.332 ( 0.050 0.780 1.074) 1.328 3.366 ( -0.269 -1.271 -0.682) 1.467 3.429 ( 1.029 2.093 0.681) 2.430 3.463 ( -0.355 -0.396 -1.368) 1.468 3.475 ( 0.282 -0.093 -0.487) 0.571 3.498 ( -0.723 -0.878 -0.437) 1.218 3.528 ( 0.012 1.913 1.052) 2.183 3.555 ( 2.659 -0.561 0.465) 2.757 3.602 ( -2.208 0.047 0.591) 2.286 3.632 ( -0.707 -2.109 -0.085) 2.226 3.738 ( 0.094 0.945 -0.041) 0.951 3.749 ( -0.257 -0.096 -0.178) 0.327 3.817 ( -0.034 1.072 0.566) 1.213 3.843 ( -0.173 -1.468 0.357) 1.521 3.869 ( 0.783 1.338 2.525) 2.963 3.883 ( -0.033 0.091 1.566) 1.569 3.944 ( 0.368 1.991 -2.288) 3.055 3.979 ( 0.477 -1.554 -1.139) 1.985 4.055 ( -0.227 0.741 -0.162) 0.792 4.067 ( -0.343 -0.446 -0.222) 0.604 4.251 ( -0.459 0.321 -0.663) 0.868 4.254 ( 0.048 -0.062 -0.210) 0.224 4.273 ( -0.338 0.190 -0.313) 0.498 4.278 ( -0.406 -0.359 -0.145) 0.561 4.337 ( 1.022 0.249 1.241) 1.627 4.341 ( 0.785 0.062 0.959) 1.241 4.463 ( -0.022 0.831 -0.098) 0.837 4.482 ( 0.277 -1.194 0.259) 1.253 4.568 ( -0.261 -0.019 -0.325) 0.417 4.570 ( -0.234 -0.088 -0.208) 0.326 4.674 ( -0.047 -0.020 -0.029) 0.058 4.678 ( -0.070 -0.454 -0.004) 0.460 5.744 ( 0.153 0.214 0.015) 0.264 5.756 ( 0.192 -0.971 0.047) 0.991 5.890 ( -0.003 0.514 -0.208) 0.554 5.913 ( 0.157 -2.035 0.001) 2.041 6.140 ( 0.084 0.730 0.141) 0.748 6.157 ( -0.077 -0.889 0.090) 0.897 6.277 ( -0.076 0.599 0.086) 0.610 6.285 ( -0.787 -0.217 -0.267) 0.859 6.452 ( -0.040 0.252 0.011) 0.255 6.464 ( -0.139 -1.031 0.203) 1.060 6.588 ( 0.156 2.091 -0.364) 2.128 6.607 ( 0.028 -0.216 -0.191) 0.290 6.640 ( 0.084 0.510 0.104) 0.527 6.659 ( 0.253 -1.123 0.070) 1.153 6.748 ( 0.066 -0.213 0.055) 0.230 6.751 ( -0.004 -0.466 0.008) 0.466 7.076 ( -0.001 1.199 -0.123) 1.205 7.097 ( 0.120 -0.931 0.028) 0.939 7.128 ( 0.100 0.526 0.187) 0.567 7.138 ( 0.042 -0.519 0.211) 0.561 7.297 ( 0.561 0.179 -0.002) 0.589 7.310 ( 1.059 -0.917 0.478) 1.480 7.332 ( 0.833 -0.347 -0.020) 0.903 7.337 ( 0.377 -0.764 -0.002) 0.852 7.416 ( -1.525 0.469 -0.761) 1.768 7.438 ( -0.880 -1.873 -0.471) 2.122 7.460 ( -0.255 0.436 0.262) 0.569 7.472 ( -0.045 -0.801 -0.039) 0.804 7.678 ( 0.471 0.247 0.639) 0.831 7.686 ( 0.139 -0.528 0.222) 0.590 7.774 ( -0.283 0.656 -0.531) 0.890 7.782 ( -0.848 -0.183 -0.368) 0.942 7.841 ( -0.689 0.306 0.321) 0.820 7.848 ( -0.485 -0.511 0.234) 0.742 8.004 ( 0.494 0.393 -0.043) 0.632 8.015 ( 0.160 -0.566 0.020) 0.588======================= Grid point 35 (13/44) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.203 ( 0.967 0.000 11.982) 12.021 0.234 ( -0.200 0.000 13.013) 13.014 0.447 ( -0.287 0.000 23.165) 23.167 0.606 ( -0.680 0.000 -4.500) 4.552 0.673 ( -0.300 0.000 -12.188) 12.192 0.782 ( 4.159 0.000 -3.142) 5.212 0.828 ( -0.442 0.000 3.884) 3.909 0.872 ( -2.074 0.000 -1.674) 2.665 0.896 ( -4.843 0.000 1.002) 4.945 0.933 ( 6.342 0.000 -0.056) 6.342 0.964 ( -3.342 0.000 -2.004) 3.897 1.022 ( -0.550 0.000 -1.165) 1.289 1.035 ( 3.076 0.000 -4.420) 5.385 1.089 ( 0.017 0.000 -4.533) 4.533 1.205 ( -0.979 0.000 2.000) 2.226 1.217 ( 1.242 0.000 5.113) 5.261 1.228 ( -2.991 0.000 0.765) 3.087 1.263 ( -1.201 0.000 2.436) 2.716 1.286 ( -0.956 0.000 1.912) 2.138 1.287 ( -0.491 0.000 1.752) 1.820 1.311 ( -0.432 0.000 3.373) 3.401 1.356 ( -0.048 0.000 0.014) 0.050 1.456 ( 0.955 0.000 -2.389) 2.573 1.487 ( 5.164 0.000 -4.053) 6.565 1.497 ( 0.249 0.000 -2.011) 2.026 1.521 ( -2.664 0.000 0.995) 2.844 1.553 ( -0.640 0.000 -1.742) 1.855 1.611 ( 0.592 0.000 -0.784) 0.982 1.666 ( -0.730 0.000 0.552) 0.915 1.720 ( -0.495 0.000 -4.047) 4.077 1.737 ( 2.186 0.000 -0.782) 2.322 1.779 ( -1.203 0.000 -0.741) 1.413 1.820 ( 1.171 0.000 0.804) 1.421 1.875 ( -1.441 0.000 -1.102) 1.814 1.879 ( 1.724 0.000 -1.514) 2.294 1.965 ( -0.255 0.000 -4.033) 4.041 1.985 ( -1.823 0.000 4.589) 4.938 1.999 ( -1.169 0.000 1.463) 1.873 2.017 ( -1.916 0.000 2.940) 3.510 2.041 ( 0.273 0.000 0.909) 0.949 2.129 ( 3.668 0.000 -3.165) 4.845 2.207 ( -0.568 0.000 0.951) 1.107 2.240 ( 3.082 0.000 -1.839) 3.589 2.243 ( -0.600 0.000 1.634) 1.741 2.270 ( 2.689 0.000 -1.618) 3.138 2.272 ( -1.698 0.000 0.831) 1.891 2.405 ( 1.619 0.000 -2.686) 3.137 2.473 ( -0.593 0.000 -1.920) 2.010 2.540 ( -1.353 0.000 0.627) 1.492 2.555 ( 0.891 0.000 -0.968) 1.316 2.570 ( -0.520 0.000 3.192) 3.234 2.577 ( -3.263 0.000 3.198) 4.569 2.628 ( -0.865 0.000 0.872) 1.228 2.633 ( -1.911 0.000 0.542) 1.986 2.643 ( -2.099 0.000 1.606) 2.643 2.709 ( -0.427 0.000 -0.034) 0.428 2.710 ( 1.359 0.000 1.353) 1.917 2.730 ( -0.014 0.000 -1.894) 1.894 2.773 ( -1.718 0.000 1.368) 2.196 2.821 ( -0.625 0.000 1.007) 1.185 2.830 ( 0.530 0.000 -0.691) 0.871 2.843 ( 0.080 0.000 1.250) 1.252 2.860 ( 2.032 0.000 -2.550) 3.261 2.875 ( 0.195 0.000 -2.531) 2.538 2.888 ( -2.487 0.000 -0.315) 2.507 2.951 ( -0.469 0.000 -0.842) 0.963 3.035 ( 0.979 0.000 -1.155) 1.514 3.063 ( 2.947 0.000 -1.939) 3.527 3.145 ( 1.201 0.000 3.705) 3.895 3.165 ( -0.070 0.000 0.293) 0.301 3.186 ( 0.812 0.000 1.339) 1.566 3.200 ( 0.945 0.000 0.860) 1.278 3.246 ( -0.164 0.000 0.403) 0.435 3.252 ( 0.291 0.000 1.083) 1.121 3.267 ( 0.390 0.000 0.962) 1.038 3.350 ( -0.341 0.000 -1.231) 1.277 3.357 ( 0.912 0.000 1.191) 1.500 3.399 ( 0.820 0.000 -4.698) 4.769 3.406 ( -2.182 0.000 -2.233) 3.122 3.425 ( 1.946 0.000 2.552) 3.209 3.461 ( 0.364 0.000 -1.078) 1.138 3.472 ( 0.125 0.000 -1.478) 1.484 3.527 ( -0.226 0.000 -2.887) 2.896 3.575 ( -2.091 0.000 -1.486) 2.565 3.599 ( -3.084 0.000 0.194) 3.091 3.612 ( 0.750 0.000 -0.912) 1.181 3.684 ( -2.437 0.000 5.067) 5.623 3.697 ( 2.310 0.000 1.611) 2.816 3.811 ( -0.503 0.000 1.982) 2.045 3.816 ( 1.415 0.000 0.429) 1.479 3.856 ( 1.080 0.000 1.838) 2.132 3.879 ( 0.386 0.000 1.207) 1.267 3.949 ( -4.431 0.000 -1.138) 4.575 3.984 ( 0.975 0.000 -1.518) 1.804 4.028 ( -2.653 0.000 1.788) 3.199 4.112 ( -1.012 0.000 -2.582) 2.773 4.172 ( 3.574 0.000 1.400) 3.839 4.271 ( -0.815 0.000 -3.267) 3.367 4.273 ( -0.430 0.000 0.426) 0.605 4.289 ( 1.050 0.000 0.190) 1.067 4.312 ( 1.284 0.000 0.139) 1.291 4.330 ( -2.174 0.000 -0.255) 2.189 4.446 ( -1.093 0.000 0.865) 1.394 4.477 ( 1.660 0.000 -0.092) 1.662 4.559 ( -0.428 0.000 1.570) 1.628 4.617 ( 2.261 0.000 -0.901) 2.434 4.677 ( 0.236 0.000 0.214) 0.319 4.690 ( -0.216 0.000 -0.404) 0.458 5.806 ( -0.770 0.000 1.554) 1.734 5.889 ( 0.178 0.000 -2.293) 2.300 5.948 ( 3.398 0.000 0.420) 3.424 5.960 ( -15.078 0.000 -0.272) 15.080 6.162 ( -0.083 0.000 0.183) 0.201 6.177 ( 0.213 0.000 -0.366) 0.424 6.205 ( -0.564 0.000 1.216) 1.341 6.241 ( -0.458 0.000 -0.454) 0.645 6.415 ( -0.167 0.000 0.726) 0.746 6.465 ( 0.627 0.000 -1.875) 1.977 6.552 ( 0.538 0.000 1.725) 1.807 6.613 ( -6.014 0.000 -1.196) 6.132 6.653 ( -1.052 0.000 1.941) 2.208 6.660 ( -1.179 0.000 1.820) 2.169 6.741 ( 1.800 0.000 -2.514) 3.092 6.750 ( 3.008 0.000 -2.090) 3.663 7.064 ( -1.737 0.000 1.271) 2.152 7.082 ( -0.937 0.000 2.381) 2.558 7.117 ( 1.229 0.000 -1.212) 1.726 7.157 ( 0.767 0.000 -1.124) 1.361 7.327 ( 0.255 0.000 0.278) 0.377 7.335 ( -0.516 0.000 -0.094) 0.525 7.375 ( 0.255 0.000 1.125) 1.154 7.422 ( 0.447 0.000 -1.051) 1.142 7.462 ( -0.073 0.000 0.302) 0.311 7.475 ( 0.493 0.000 -0.137) 0.511 7.554 ( 7.952 0.000 -0.035) 7.952 7.570 ( -1.498 0.000 -0.522) 1.586 7.635 ( 0.625 0.000 1.286) 1.429 7.712 ( 0.149 0.000 -2.834) 2.838 7.792 ( -1.066 0.000 -0.065) 1.068 7.799 ( 1.527 0.000 -0.442) 1.590 7.858 ( -1.682 0.000 2.655) 3.143 7.924 ( -2.410 0.000 1.851) 3.039 7.936 ( 8.306 0.000 -1.221) 8.395 7.983 ( 1.991 0.000 -1.042) 2.247======================= Grid point 36 (14/44) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.359 ( 0.363 0.000 8.948) 8.956 0.439 ( 8.376 0.000 1.208) 8.462 0.542 ( 1.853 0.000 -2.405) 3.036 0.551 ( 3.748 0.000 -7.567) 8.445 0.668 ( -2.823 0.000 6.934) 7.486 0.777 ( -4.985 0.000 0.613) 5.022 0.796 ( -5.777 0.000 2.073) 6.138 0.829 ( -2.285 0.000 -1.392) 2.675 0.892 ( 0.096 0.000 -2.744) 2.746 0.905 ( 4.348 0.000 5.777) 7.230 0.956 ( -1.716 0.000 -4.519) 4.834 1.011 ( 1.584 0.000 1.110) 1.934 1.039 ( 2.818 0.000 1.734) 3.309 1.060 ( 3.027 0.000 -5.852) 6.588 1.172 ( -6.279 0.000 1.426) 6.439 1.198 ( -1.040 0.000 0.940) 1.401 1.262 ( 0.141 0.000 -0.702) 0.716 1.288 ( -0.128 0.000 2.772) 2.775 1.300 ( 0.990 0.000 1.010) 1.415 1.328 ( 1.203 0.000 2.993) 3.225 1.348 ( 0.039 0.000 -1.522) 1.522 1.366 ( 0.021 0.000 4.093) 4.093 1.399 ( -3.391 0.000 -1.789) 3.834 1.456 ( 1.948 0.000 -5.437) 5.776 1.486 ( -0.637 0.000 -1.378) 1.518 1.521 ( 0.338 0.000 -1.042) 1.095 1.539 ( 0.118 0.000 1.171) 1.177 1.593 ( -0.753 0.000 -1.848) 1.995 1.655 ( -1.636 0.000 0.534) 1.721 1.657 ( -2.760 0.000 -0.728) 2.855 1.732 ( -1.576 0.000 -1.196) 1.978 1.769 ( 1.047 0.000 0.982) 1.436 1.846 ( -0.092 0.000 -1.119) 1.123 1.866 ( 1.152 0.000 2.282) 2.557 1.896 ( 2.430 0.000 -1.826) 3.040 1.936 ( 2.601 0.000 -3.060) 4.017 2.001 ( -2.613 0.000 3.723) 4.549 2.002 ( -1.190 0.000 1.047) 1.585 2.034 ( -0.315 0.000 2.627) 2.646 2.054 ( 1.350 0.000 -0.350) 1.395 2.166 ( 3.901 0.000 -1.521) 4.187 2.200 ( -4.302 0.000 -1.863) 4.688 2.211 ( 0.249 0.000 0.640) 0.687 2.235 ( -0.721 0.000 -1.043) 1.268 2.257 ( 0.620 0.000 -2.401) 2.479 2.298 ( 2.028 0.000 -0.750) 2.162 2.413 ( -0.027 0.000 1.002) 1.003 2.437 ( -0.704 0.000 -4.032) 4.093 2.502 ( -4.976 0.000 3.023) 5.822 2.524 ( -2.657 0.000 0.658) 2.738 2.530 ( -1.853 0.000 -0.846) 2.037 2.568 ( -4.626 0.000 1.727) 4.938 2.594 ( -2.272 0.000 3.723) 4.362 2.656 ( 0.368 0.000 1.889) 1.924 2.674 ( -1.192 0.000 2.153) 2.461 2.703 ( 0.950 0.000 -2.229) 2.423 2.745 ( 0.465 0.000 -0.083) 0.472 2.745 ( 2.915 0.000 -0.243) 2.925 2.769 ( -1.239 0.000 2.686) 2.958 2.786 ( 0.026 0.000 -1.296) 1.296 2.808 ( -1.284 0.000 1.377) 1.882 2.833 ( 0.654 0.000 -0.378) 0.755 2.855 ( 0.891 0.000 -2.014) 2.202 2.901 ( 1.216 0.000 0.160) 1.227 2.911 ( 1.740 0.000 1.883) 2.564 2.930 ( -0.170 0.000 -1.834) 1.842 3.051 ( 0.738 0.000 -3.004) 3.093 3.063 ( 2.385 0.000 0.469) 2.431 3.165 ( -0.356 0.000 0.452) 0.575 3.170 ( -0.407 0.000 0.550) 0.684 3.206 ( -0.448 0.000 -1.421) 1.490 3.218 ( -0.163 0.000 -0.579) 0.601 3.252 ( 1.151 0.000 0.438) 1.232 3.253 ( 2.211 0.000 0.664) 2.309 3.295 ( -4.071 0.000 -1.938) 4.509 3.348 ( 1.307 0.000 0.471) 1.389 3.355 ( 2.470 0.000 4.620) 5.239 3.366 ( 0.787 0.000 -2.062) 2.207 3.389 ( 0.014 0.000 1.852) 1.852 3.435 ( 0.218 0.000 -3.737) 3.744 3.468 ( 0.355 0.000 0.590) 0.689 3.475 ( -0.611 0.000 -1.982) 2.074 3.520 ( 1.692 0.000 3.245) 3.659 3.527 ( -1.368 0.000 -3.102) 3.390 3.610 ( 2.834 0.000 -0.205) 2.841 3.637 ( 2.260 0.000 0.239) 2.273 3.674 ( -2.415 0.000 0.122) 2.418 3.733 ( -0.296 0.000 0.948) 0.993 3.826 ( 0.245 0.000 0.763) 0.801 3.843 ( 0.713 0.000 0.202) 0.741 3.869 ( -1.162 0.000 0.958) 1.506 3.889 ( -0.381 0.000 -0.251) 0.457 3.909 ( -1.314 0.000 1.318) 1.861 3.988 ( 0.947 0.000 -0.752) 1.209 4.046 ( 0.148 0.000 3.452) 3.455 4.059 ( -0.886 0.000 -1.827) 2.031 4.211 ( -0.550 0.000 -3.293) 3.338 4.250 ( 3.143 0.000 0.738) 3.229 4.269 ( -0.673 0.000 0.382) 0.774 4.292 ( -1.643 0.000 -0.558) 1.735 4.312 ( 1.730 0.000 -0.464) 1.791 4.349 ( 1.940 0.000 1.069) 2.215 4.435 ( -1.349 0.000 0.727) 1.532 4.501 ( 1.918 0.000 -1.080) 2.201 4.573 ( -0.541 0.000 1.643) 1.730 4.616 ( 0.442 0.000 -2.232) 2.275 4.680 ( -0.423 0.000 -0.389) 0.575 4.686 ( 0.322 0.000 0.303) 0.443 5.809 ( -2.984 0.000 3.075) 4.285 5.833 ( -3.758 0.000 2.865) 4.725 5.870 ( 0.643 0.000 -1.835) 1.944 6.019 ( 2.695 0.000 1.994) 3.353 6.161 ( -0.447 0.000 0.161) 0.475 6.178 ( 0.427 0.000 -0.457) 0.625 6.210 ( -0.758 0.000 1.139) 1.368 6.230 ( -0.232 0.000 -0.199) 0.306 6.429 ( 0.387 0.000 0.913) 0.991 6.458 ( 1.169 0.000 -1.665) 2.034 6.561 ( -1.181 0.000 -0.610) 1.329 6.592 ( 0.094 0.000 3.150) 3.151 6.661 ( -1.044 0.000 1.764) 2.050 6.671 ( 0.439 0.000 1.534) 1.595 6.742 ( 2.138 0.000 -2.444) 3.247 6.759 ( 2.007 0.000 -2.590) 3.277 7.052 ( -1.500 0.000 1.321) 1.999 7.092 ( -1.183 0.000 2.163) 2.465 7.125 ( 1.123 0.000 -0.939) 1.464 7.155 ( 0.915 0.000 -1.434) 1.701 7.325 ( -0.385 0.000 -0.275) 0.473 7.337 ( 0.459 0.000 0.583) 0.742 7.390 ( -0.153 0.000 1.146) 1.156 7.398 ( -1.121 0.000 -1.469) 1.848 7.458 ( -1.050 0.000 -0.033) 1.050 7.474 ( -0.021 0.000 -0.448) 0.449 7.519 ( -2.119 0.000 -1.842) 2.808 7.591 ( 0.376 0.000 -0.238) 0.445 7.665 ( 0.899 0.000 1.815) 2.025 7.684 ( 0.720 0.000 -2.773) 2.864 7.761 ( -2.215 0.000 -0.797) 2.354 7.800 ( -1.105 0.000 0.207) 1.125 7.836 ( -2.640 0.000 1.239) 2.916 7.933 ( 0.430 0.000 1.371) 1.437 7.954 ( 1.140 0.000 -2.436) 2.689 8.032 ( 3.006 0.000 -1.831) 3.520======================= Grid point 37 (15/44) =======================q-point: ( 0.40 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.410 ( 3.567 0.000 -4.981) 6.126 0.449 ( 4.738 0.000 -5.470) 7.237 0.563 ( 1.315 0.000 6.192) 6.330 0.579 ( -1.850 0.000 -6.772) 7.020 0.650 ( -7.742 0.000 -3.311) 8.420 0.718 ( -1.239 0.000 6.620) 6.735 0.771 ( 2.550 0.000 6.042) 6.558 0.808 ( -0.254 0.000 1.693) 1.712 0.920 ( 8.338 0.000 -5.983) 10.262 0.940 ( -0.934 0.000 4.358) 4.457 0.980 ( -7.468 0.000 -1.272) 7.576 0.992 ( -0.905 0.000 -0.136) 0.915 1.047 ( 3.538 0.000 -4.672) 5.861 1.056 ( -6.181 0.000 1.335) 6.324 1.138 ( 2.990 0.000 3.237) 4.407 1.201 ( -0.424 0.000 0.658) 0.783 1.263 ( 1.527 0.000 0.738) 1.696 1.297 ( -1.712 0.000 0.623) 1.822 1.311 ( -1.090 0.000 -2.309) 2.553 1.329 ( 0.337 0.000 2.122) 2.149 1.351 ( -2.114 0.000 -3.290) 3.911 1.360 ( -0.608 0.000 0.212) 0.644 1.377 ( 0.023 0.000 3.082) 3.083 1.450 ( 3.011 0.000 -3.503) 4.619 1.456 ( 0.329 0.000 -2.701) 2.721 1.516 ( 1.867 0.000 -1.290) 2.270 1.549 ( -0.716 0.000 -0.221) 0.749 1.555 ( -1.007 0.000 -1.187) 1.556 1.631 ( -2.284 0.000 5.056) 5.548 1.667 ( 0.476 0.000 2.524) 2.569 1.719 ( 0.336 0.000 0.108) 0.353 1.780 ( -0.838 0.000 0.978) 1.288 1.844 ( 0.692 0.000 -0.820) 1.073 1.904 ( 0.118 0.000 2.479) 2.482 1.907 ( 3.649 0.000 -4.243) 5.597 1.965 ( 0.631 0.000 1.274) 1.422 1.983 ( -0.048 0.000 -0.837) 0.838 1.989 ( -4.043 0.000 3.479) 5.334 2.054 ( -0.421 0.000 1.194) 1.266 2.080 ( 0.526 0.000 0.406) 0.665 2.119 ( -1.284 0.000 -0.489) 1.374 2.193 ( -0.052 0.000 -2.741) 2.741 2.195 ( -1.627 0.000 -2.532) 3.010 2.205 ( 2.903 0.000 -4.151) 5.065 2.267 ( 3.289 0.000 -0.410) 3.314 2.306 ( -1.007 0.000 0.337) 1.062 2.392 ( 1.646 0.000 -0.392) 1.692 2.421 ( -2.209 0.000 3.713) 4.320 2.485 ( 0.294 0.000 0.198) 0.354 2.494 ( -0.845 0.000 -1.013) 1.319 2.504 ( -4.162 0.000 4.299) 5.984 2.556 ( -1.238 0.000 4.432) 4.602 2.588 ( -2.132 0.000 1.673) 2.710 2.651 ( -1.085 0.000 -1.300) 1.694 2.653 ( -3.194 0.000 1.657) 3.598 2.694 ( 2.287 0.000 -3.715) 4.362 2.726 ( -0.379 0.000 -0.899) 0.975 2.760 ( -0.835 0.000 -1.578) 1.786 2.775 ( -0.659 0.000 -1.153) 1.328 2.808 ( 3.403 0.000 -0.377) 3.424 2.815 ( -1.510 0.000 -0.090) 1.512 2.842 ( 0.254 0.000 0.586) 0.638 2.878 ( 1.691 0.000 2.683) 3.171 2.907 ( 0.324 0.000 -0.900) 0.956 2.936 ( 0.600 0.000 2.668) 2.735 2.947 ( -0.745 0.000 2.794) 2.892 3.050 ( 2.001 0.000 -0.009) 2.001 3.094 ( 1.126 0.000 -0.934) 1.463 3.149 ( -0.646 0.000 -2.704) 2.781 3.157 ( -0.950 0.000 -1.783) 2.020 3.179 ( 0.587 0.000 -1.520) 1.630 3.207 ( 0.580 0.000 0.408) 0.709 3.259 ( 0.006 0.000 1.821) 1.821 3.280 ( 0.971 0.000 -0.099) 0.976 3.295 ( 0.687 0.000 -0.168) 0.707 3.336 ( -0.056 0.000 -3.843) 3.843 3.381 ( 0.810 0.000 1.643) 1.832 3.392 ( -0.787 0.000 -1.139) 1.384 3.403 ( -0.562 0.000 0.910) 1.070 3.449 ( 1.193 0.000 -0.070) 1.195 3.460 ( 1.202 0.000 3.923) 4.103 3.478 ( 0.439 0.000 -0.356) 0.565 3.495 ( 0.051 0.000 1.205) 1.206 3.562 ( -0.717 0.000 0.718) 1.015 3.620 ( -1.157 0.000 -2.251) 2.531 3.654 ( 1.736 0.000 0.053) 1.737 3.672 ( 1.303 0.000 0.283) 1.333 3.721 ( -1.908 0.000 0.988) 2.148 3.809 ( -0.236 0.000 -4.386) 4.392 3.834 ( -0.222 0.000 -1.940) 1.953 3.859 ( -0.576 0.000 -0.086) 0.582 3.860 ( 0.164 0.000 -2.655) 2.660 3.924 ( -0.691 0.000 2.827) 2.910 3.999 ( 0.093 0.000 1.300) 1.303 4.052 ( 0.910 0.000 -0.139) 0.920 4.072 ( -1.367 0.000 1.904) 2.344 4.205 ( 1.462 0.000 1.236) 1.915 4.270 ( -0.024 0.000 0.732) 0.733 4.272 ( -0.525 0.000 0.500) 0.725 4.280 ( 0.396 0.000 -0.318) 0.508 4.333 ( 1.691 0.000 -1.315) 2.142 4.376 ( -0.094 0.000 -0.149) 0.176 4.422 ( -1.040 0.000 0.907) 1.380 4.509 ( 1.297 0.000 -2.060) 2.434 4.578 ( -0.901 0.000 1.112) 1.431 4.602 ( 1.035 0.000 -1.325) 1.681 4.673 ( -0.060 0.000 0.223) 0.231 4.691 ( -0.042 0.000 0.032) 0.053 5.803 ( -2.551 0.000 4.062) 4.797 5.830 ( -1.247 0.000 1.940) 2.306 5.865 ( 1.145 0.000 -1.358) 1.776 6.052 ( -0.872 0.000 -0.194) 0.893 6.151 ( -0.465 0.000 0.042) 0.467 6.178 ( 0.453 0.000 -0.606) 0.756 6.208 ( -0.616 0.000 0.643) 0.890 6.225 ( -0.024 0.000 -0.297) 0.298 6.440 ( -0.312 0.000 0.516) 0.603 6.460 ( 1.281 0.000 -1.351) 1.862 6.551 ( 0.271 0.000 0.436) 0.513 6.613 ( -2.051 0.000 2.879) 3.535 6.656 ( -1.188 0.000 0.603) 1.332 6.698 ( -0.524 0.000 1.376) 1.472 6.750 ( 2.221 0.000 -2.272) 3.178 6.758 ( 1.815 0.000 -2.658) 3.218 7.048 ( -1.126 0.000 1.599) 1.956 7.095 ( -1.503 0.000 1.837) 2.374 7.129 ( 0.864 0.000 -1.078) 1.381 7.151 ( 1.025 0.000 -1.750) 2.028 7.320 ( 0.263 0.000 -0.149) 0.302 7.358 ( 0.787 0.000 -0.128) 0.797 7.361 ( -0.813 0.000 -0.225) 0.844 7.399 ( -0.536 0.000 0.841) 0.997 7.425 ( -0.453 0.000 -1.129) 1.216 7.467 ( 0.052 0.000 -0.711) 0.713 7.499 ( 0.751 0.000 0.159) 0.768 7.585 ( -0.516 0.000 -0.593) 0.786 7.679 ( 2.156 0.000 -1.627) 2.701 7.706 ( -1.861 0.000 -0.447) 1.914 7.711 ( 0.838 0.000 1.510) 1.727 7.783 ( -1.637 0.000 1.189) 2.024 7.817 ( -1.005 0.000 0.213) 1.028 7.943 ( 1.426 0.000 -2.796) 3.138 7.953 ( -0.100 0.000 1.361) 1.365 8.040 ( 0.954 0.000 -1.976) 2.194======================= Grid point 38 (16/44) =======================q-point: (-0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.353 ( -9.662 0.000 0.045) 9.662 0.381 ( -7.012 0.000 -8.999) 11.409 0.514 ( -0.694 0.000 0.281) 0.748 0.554 ( 6.150 0.000 -6.074) 8.644 0.723 ( 6.544 0.000 6.635) 9.319 0.727 ( -0.182 0.000 1.825) 1.834 0.807 ( -8.701 0.000 2.162) 8.965 0.856 ( 2.367 0.000 2.598) 3.514 0.904 ( 2.264 0.000 -2.758) 3.568 0.942 ( -4.406 0.000 3.049) 5.358 0.950 ( -1.260 0.000 -0.704) 1.443 0.989 ( 5.035 0.000 -1.660) 5.302 0.995 ( -1.034 0.000 2.043) 2.289 1.067 ( 5.093 0.000 -3.641) 6.261 1.181 ( -2.549 0.000 0.893) 2.701 1.182 ( -1.842 0.000 2.353) 2.989 1.263 ( -0.537 0.000 -2.075) 2.143 1.280 ( -0.645 0.000 -1.282) 1.435 1.285 ( -2.293 0.000 0.562) 2.361 1.336 ( 0.780 0.000 -1.059) 1.315 1.341 ( 1.868 0.000 1.712) 2.534 1.356 ( -0.633 0.000 0.785) 1.008 1.410 ( -0.790 0.000 2.761) 2.872 1.433 ( 2.099 0.000 -3.458) 4.045 1.442 ( 1.059 0.000 -1.282) 1.663 1.520 ( 1.186 0.000 -1.955) 2.286 1.529 ( 0.491 0.000 -1.228) 1.323 1.567 ( 4.164 0.000 -2.294) 4.754 1.674 ( -2.337 0.000 1.847) 2.979 1.702 ( 0.748 0.000 5.386) 5.438 1.742 ( 1.387 0.000 2.557) 2.909 1.790 ( -0.147 0.000 0.676) 0.692 1.828 ( -0.754 0.000 -2.152) 2.281 1.907 ( 2.698 0.000 -5.153) 5.816 1.930 ( -0.558 0.000 2.422) 2.485 1.953 ( -0.537 0.000 1.016) 1.149 1.957 ( -4.221 0.000 2.575) 4.944 2.014 ( -0.145 0.000 1.907) 1.912 2.053 ( -1.168 0.000 0.731) 1.378 2.088 ( 1.659 0.000 1.024) 1.950 2.129 ( -1.670 0.000 -2.396) 2.921 2.148 ( 0.274 0.000 -2.916) 2.929 2.151 ( 3.419 0.000 -0.914) 3.539 2.199 ( 2.111 0.000 -3.703) 4.263 2.284 ( -0.037 0.000 -1.890) 1.891 2.327 ( 2.867 0.000 0.882) 2.999 2.408 ( -1.996 0.000 -0.874) 2.179 2.481 ( 4.923 0.000 2.569) 5.553 2.503 ( -0.664 0.000 3.862) 3.919 2.503 ( 0.498 0.000 2.991) 3.032 2.509 ( -0.243 0.000 2.213) 2.227 2.572 ( -0.314 0.000 -1.116) 1.159 2.600 ( -0.250 0.000 2.749) 2.761 2.612 ( -1.536 0.000 -0.327) 1.571 2.634 ( -2.603 0.000 3.317) 4.217 2.681 ( -0.908 0.000 -3.874) 3.979 2.694 ( 2.849 0.000 -3.021) 4.153 2.734 ( -1.152 0.000 -1.134) 1.616 2.744 ( 0.661 0.000 0.634) 0.916 2.795 ( -1.192 0.000 0.715) 1.390 2.813 ( 0.503 0.000 -2.547) 2.596 2.864 ( 2.288 0.000 -1.803) 2.914 2.905 ( -1.656 0.000 1.669) 2.351 2.924 ( -0.469 0.000 1.626) 1.692 2.973 ( -1.514 0.000 4.164) 4.431 2.974 ( -0.905 0.000 4.481) 4.571 3.074 ( -0.896 0.000 -1.992) 2.185 3.087 ( 0.835 0.000 -3.157) 3.266 3.113 ( -0.590 0.000 -2.625) 2.690 3.120 ( 1.894 0.000 1.273) 2.283 3.194 ( 2.100 0.000 -0.886) 2.279 3.199 ( -1.143 0.000 -3.061) 3.268 3.274 ( -1.398 0.000 -0.044) 1.398 3.277 ( -0.319 0.000 0.530) 0.618 3.286 ( -1.974 0.000 -1.848) 2.704 3.289 ( 0.252 0.000 1.305) 1.329 3.376 ( -0.515 0.000 0.089) 0.523 3.378 ( -0.441 0.000 0.085) 0.449 3.455 ( 1.403 0.000 4.211) 4.438 3.472 ( 0.587 0.000 -0.050) 0.589 3.478 ( -0.101 0.000 -0.978) 0.983 3.507 ( -1.405 0.000 -1.951) 2.404 3.521 ( -0.306 0.000 1.666) 1.694 3.530 ( 1.676 0.000 0.936) 1.920 3.593 ( -0.349 0.000 1.406) 1.448 3.666 ( -1.567 0.000 -0.585) 1.673 3.684 ( 1.259 0.000 0.668) 1.425 3.707 ( -0.695 0.000 -2.922) 3.004 3.758 ( 1.048 0.000 -1.059) 1.490 3.801 ( 0.186 0.000 -2.896) 2.902 3.843 ( -0.479 0.000 -1.056) 1.159 3.849 ( 1.006 0.000 -1.168) 1.541 3.948 ( -0.760 0.000 3.061) 3.154 4.003 ( 0.015 0.000 -0.758) 0.758 4.051 ( -2.877 0.000 1.215) 3.123 4.087 ( 1.874 0.000 1.670) 2.510 4.254 ( 1.320 0.000 1.067) 1.697 4.268 ( -0.618 0.000 -1.202) 1.352 4.277 ( 0.190 0.000 1.729) 1.739 4.303 ( 1.066 0.000 2.705) 2.907 4.320 ( -0.501 0.000 -1.961) 2.024 4.340 ( -1.684 0.000 -2.012) 2.624 4.434 ( -0.052 0.000 1.635) 1.636 4.492 ( 0.245 0.000 -2.682) 2.693 4.570 ( -1.368 0.000 0.700) 1.536 4.615 ( 1.813 0.000 -1.164) 2.155 4.683 ( 0.434 0.000 0.545) 0.697 4.685 ( -0.375 0.000 -0.293) 0.476 5.811 ( -1.378 0.000 1.645) 2.146 5.854 ( -2.052 0.000 8.387) 8.634 5.873 ( 1.537 0.000 -0.962) 1.813 5.997 ( -1.790 0.000 -3.518) 3.947 6.154 ( 0.241 0.000 0.296) 0.382 6.177 ( 0.420 0.000 -0.900) 0.993 6.206 ( -0.663 0.000 0.651) 0.929 6.221 ( -0.105 0.000 -0.263) 0.283 6.431 ( -1.081 0.000 0.136) 1.090 6.467 ( 1.274 0.000 -0.989) 1.613 6.579 ( 0.856 0.000 2.485) 2.628 6.591 ( -2.855 0.000 0.223) 2.864 6.646 ( -1.151 0.000 1.215) 1.674 6.684 ( -2.058 0.000 0.853) 2.228 6.752 ( 1.715 0.000 -2.768) 3.256 6.761 ( 1.967 0.000 -1.959) 2.776 7.054 ( -0.893 0.000 2.007) 2.196 7.087 ( -1.786 0.000 1.346) 2.237 7.123 ( 0.595 0.000 -1.587) 1.695 7.153 ( 1.268 0.000 -1.194) 1.742 7.328 ( 0.386 0.000 0.402) 0.557 7.334 ( -0.648 0.000 -0.525) 0.834 7.380 ( -1.165 0.000 -0.349) 1.216 7.395 ( 1.902 0.000 0.551) 1.981 7.439 ( 1.244 0.000 0.364) 1.296 7.458 ( 0.451 0.000 -1.520) 1.586 7.533 ( 1.608 0.000 1.748) 2.375 7.555 ( -1.036 0.000 -2.726) 2.916 7.658 ( -2.108 0.000 -0.483) 2.163 7.712 ( 3.441 0.000 -0.776) 3.527 7.763 ( 1.793 0.000 1.648) 2.435 7.771 ( -0.957 0.000 -0.201) 0.978 7.814 ( -0.684 0.000 1.880) 2.001 7.927 ( 1.797 0.000 -4.656) 4.991 7.960 ( -1.392 0.000 1.728) 2.218 8.019 ( -0.167 0.000 -2.232) 2.238======================= Grid point 39 (17/44) =======================q-point: (-0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.139 ( -9.254 0.000 2.319) 9.540 0.178 ( -10.826 0.000 3.236) 11.299 0.397 ( -18.034 0.000 11.061) 21.156 0.611 ( 4.137 0.000 -1.261) 4.325 0.770 ( 2.855 0.000 -0.934) 3.004 0.802 ( 3.961 0.000 -5.454) 6.740 0.805 ( -0.905 0.000 -3.230) 3.354 0.844 ( 0.210 0.000 -0.055) 0.217 0.921 ( 0.324 0.000 3.733) 3.747 0.922 ( -1.611 0.000 -0.810) 1.803 0.956 ( 3.735 0.000 0.698) 3.800 1.028 ( 2.203 0.000 -1.924) 2.925 1.036 ( 1.277 0.000 -0.373) 1.330 1.099 ( 2.644 0.000 -2.027) 3.332 1.168 ( -2.742 0.000 3.754) 4.649 1.180 ( -0.218 0.000 2.732) 2.740 1.237 ( -0.737 0.000 0.657) 0.987 1.267 ( -2.015 0.000 2.849) 3.490 1.270 ( -0.969 0.000 0.954) 1.360 1.306 ( -2.439 0.000 0.528) 2.496 1.322 ( -1.707 0.000 -0.839) 1.902 1.365 ( -1.558 0.000 0.261) 1.580 1.444 ( 2.327 0.000 -0.982) 2.525 1.452 ( 3.330 0.000 -2.335) 4.067 1.483 ( 4.225 0.000 1.764) 4.578 1.518 ( 1.719 0.000 -2.874) 3.349 1.551 ( 1.819 0.000 0.338) 1.850 1.598 ( 2.284 0.000 -1.256) 2.607 1.671 ( -0.342 0.000 1.437) 1.477 1.750 ( 1.766 0.000 -0.802) 1.939 1.758 ( -1.339 0.000 -3.241) 3.507 1.781 ( -0.115 0.000 -2.370) 2.373 1.805 ( 0.671 0.000 2.069) 2.175 1.883 ( 0.953 0.000 -2.764) 2.924 1.918 ( -2.874 0.000 0.288) 2.888 1.952 ( -1.582 0.000 4.715) 4.973 1.975 ( 1.184 0.000 0.360) 1.237 2.020 ( -2.582 0.000 3.755) 4.557 2.029 ( -2.808 0.000 1.534) 3.200 2.057 ( -1.428 0.000 -4.003) 4.250 2.131 ( 2.257 0.000 -4.425) 4.967 2.155 ( 2.306 0.000 2.795) 3.624 2.207 ( 4.628 0.000 -1.957) 5.024 2.212 ( 2.014 0.000 0.686) 2.127 2.265 ( 1.002 0.000 -2.404) 2.604 2.319 ( -4.218 0.000 -0.083) 4.219 2.396 ( 3.851 0.000 -2.923) 4.835 2.518 ( -2.315 0.000 0.999) 2.521 2.531 ( -0.402 0.000 2.555) 2.586 2.539 ( 2.497 0.000 -1.968) 3.179 2.546 ( 1.137 0.000 -1.548) 1.921 2.563 ( -1.887 0.000 2.629) 3.236 2.617 ( 1.098 0.000 2.041) 2.317 2.619 ( 2.462 0.000 2.413) 3.447 2.658 ( 0.637 0.000 0.705) 0.950 2.665 ( -1.636 0.000 2.882) 3.314 2.718 ( 1.552 0.000 0.618) 1.671 2.735 ( 2.687 0.000 -1.967) 3.329 2.771 ( -0.896 0.000 3.154) 3.278 2.788 ( 0.867 0.000 -1.401) 1.647 2.802 ( 2.156 0.000 -0.277) 2.173 2.867 ( 0.194 0.000 -1.790) 1.800 2.883 ( -2.249 0.000 -0.529) 2.310 2.904 ( -1.845 0.000 -0.909) 2.057 2.965 ( -4.449 0.000 0.933) 4.546 2.975 ( -2.811 0.000 1.884) 3.384 3.046 ( 0.635 0.000 -3.643) 3.698 3.058 ( 0.158 0.000 -3.628) 3.631 3.086 ( 0.425 0.000 2.888) 2.919 3.159 ( 0.329 0.000 -0.570) 0.658 3.173 ( -0.555 0.000 1.945) 2.023 3.185 ( 0.283 0.000 -2.321) 2.338 3.244 ( -1.212 0.000 0.323) 1.254 3.255 ( -1.961 0.000 1.583) 2.520 3.280 ( -0.688 0.000 -0.123) 0.699 3.303 ( 1.171 0.000 1.238) 1.705 3.382 ( 0.147 0.000 1.275) 1.283 3.398 ( 1.890 0.000 0.760) 2.037 3.404 ( -3.232 0.000 -2.364) 4.004 3.444 ( -0.397 0.000 -3.040) 3.066 3.488 ( 0.021 0.000 -1.042) 1.042 3.492 ( -0.963 0.000 -0.360) 1.028 3.550 ( 0.776 0.000 -0.668) 1.024 3.575 ( 1.646 0.000 2.078) 2.651 3.636 ( -1.030 0.000 5.668) 5.760 3.638 ( -1.051 0.000 -1.685) 1.986 3.654 ( 1.024 0.000 -1.497) 1.813 3.691 ( -0.685 0.000 -2.187) 2.292 3.788 ( 0.601 0.000 1.780) 1.879 3.792 ( 1.944 0.000 -0.852) 2.123 3.825 ( -0.062 0.000 -0.322) 0.328 3.859 ( 0.781 0.000 0.348) 0.855 3.985 ( 1.184 0.000 4.287) 4.447 3.992 ( 0.288 0.000 -1.303) 1.334 4.026 ( -2.152 0.000 0.354) 2.181 4.127 ( 1.194 0.000 -0.070) 1.196 4.222 ( -2.223 0.000 -3.949) 4.532 4.269 ( -0.091 0.000 0.693) 0.698 4.289 ( -0.593 0.000 -0.989) 1.153 4.298 ( 0.475 0.000 -0.388) 0.613 4.305 ( 0.260 0.000 -1.271) 1.297 4.348 ( -0.393 0.000 2.146) 2.182 4.447 ( -0.597 0.000 1.349) 1.475 4.465 ( 0.364 0.000 -1.542) 1.584 4.557 ( -1.012 0.000 0.702) 1.232 4.611 ( -0.055 0.000 -2.123) 2.124 4.676 ( -0.194 0.000 -0.184) 0.268 4.693 ( 0.205 0.000 0.106) 0.231 5.805 ( -1.114 0.000 1.155) 1.605 5.893 ( 2.007 0.000 -0.719) 2.132 5.936 ( -0.268 0.000 -3.220) 3.231 6.017 ( 5.256 0.000 13.638) 14.616 6.160 ( 0.084 0.000 0.210) 0.226 6.172 ( 0.562 0.000 -0.835) 1.007 6.203 ( -0.747 0.000 0.868) 1.145 6.217 ( -0.078 0.000 0.511) 0.517 6.418 ( -0.849 0.000 0.515) 0.993 6.474 ( 0.919 0.000 -1.195) 1.507 6.548 ( -1.556 0.000 -0.139) 1.562 6.647 ( -1.290 0.000 2.121) 2.482 6.651 ( 3.065 0.000 6.188) 6.905 6.666 ( -1.791 0.000 1.356) 2.247 6.744 ( 1.567 0.000 -3.206) 3.568 6.764 ( 0.798 0.000 -2.822) 2.933 7.063 ( -1.367 0.000 1.763) 2.231 7.074 ( -1.391 0.000 1.719) 2.211 7.116 ( 0.945 0.000 -1.554) 1.819 7.157 ( 0.829 0.000 -1.011) 1.307 7.323 ( -0.142 0.000 -0.690) 0.705 7.339 ( -0.061 0.000 0.597) 0.600 7.365 ( -0.163 0.000 -0.098) 0.190 7.406 ( -1.754 0.000 -4.119) 4.476 7.437 ( 0.883 0.000 -0.948) 1.295 7.456 ( 0.418 0.000 0.242) 0.483 7.488 ( -1.810 0.000 -1.215) 2.180 7.573 ( 0.674 0.000 1.045) 1.243 7.630 ( -0.964 0.000 0.131) 0.973 7.743 ( -0.311 0.000 -1.756) 1.784 7.764 ( 3.520 0.000 -1.143) 3.701 7.802 ( 1.007 0.000 0.559) 1.152 7.836 ( -0.758 0.000 3.314) 3.400 7.876 ( -0.261 0.000 -4.791) 4.798 7.949 ( -2.902 0.000 2.141) 3.607 7.992 ( -0.274 0.000 -1.300) 1.329======================= Grid point 40 (18/44) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.306 ( -2.595 8.165 7.231) 11.211 0.379 ( 3.068 10.484 9.004) 14.156 0.565 ( 0.745 10.517 11.748) 15.786 0.610 ( -1.292 2.621 -3.962) 4.923 0.732 ( -1.879 3.255 -6.740) 7.717 0.767 ( -0.344 0.566 -0.743) 0.995 0.820 ( 1.196 0.341 -0.902) 1.536 0.881 ( 3.843 -0.423 -0.536) 3.903 0.902 ( -0.509 1.975 -0.871) 2.218 0.933 ( -2.855 2.412 0.999) 3.869 0.979 ( 0.844 -1.273 0.541) 1.620 1.031 ( 0.245 0.129 -4.243) 4.252 1.062 ( -1.303 2.402 -2.727) 3.860 1.079 ( 1.389 -0.000 -3.827) 4.071 1.162 ( -2.200 -1.047 2.958) 3.832 1.213 ( 0.933 -0.668 0.142) 1.157 1.256 ( -1.141 -0.771 0.391) 1.432 1.271 ( 0.427 0.054 2.407) 2.445 1.290 ( -1.216 1.475 1.679) 2.544 1.308 ( -1.401 2.442 3.293) 4.333 1.326 ( 0.278 0.532 2.348) 2.424 1.366 ( -0.219 0.548 -0.566) 0.818 1.408 ( 1.168 -2.240 -0.518) 2.579 1.491 ( -0.409 -0.522 -3.085) 3.155 1.515 ( -1.934 -0.230 1.948) 2.754 1.524 ( 1.683 0.402 -0.877) 1.940 1.561 ( 2.241 1.329 -2.086) 3.337 1.587 ( 0.821 -2.584 0.446) 2.748 1.647 ( 0.633 -1.830 -2.163) 2.903 1.670 ( 1.739 -3.288 -3.358) 5.011 1.732 ( -0.393 -3.181 -0.568) 3.255 1.747 ( -1.428 -1.160 -0.612) 1.939 1.785 ( -0.961 -2.684 2.147) 3.569 1.831 ( -1.020 -3.397 -0.080) 3.547 1.883 ( 0.685 -1.175 -0.952) 1.660 1.940 ( -0.525 -0.706 -0.161) 0.894 1.970 ( 1.868 -2.465 -0.239) 3.102 1.997 ( -0.993 0.277 -0.772) 1.288 2.046 ( 0.077 1.350 -0.688) 1.517 2.074 ( -1.341 2.931 3.606) 4.837 2.120 ( 1.777 0.770 -1.020) 2.189 2.215 ( 0.349 0.760 2.263) 2.413 2.238 ( -0.871 0.320 1.439) 1.712 2.277 ( -0.535 0.101 -0.897) 1.050 2.293 ( -0.005 2.834 -1.431) 3.175 2.323 ( 3.592 5.814 -3.447) 7.654 2.413 ( 1.158 0.887 -0.899) 1.714 2.482 ( -0.137 -1.072 -1.149) 1.578 2.483 ( -1.427 -1.525 1.563) 2.609 2.542 ( 0.672 -1.617 -0.139) 1.757 2.568 ( 0.508 -0.055 2.563) 2.613 2.593 ( -3.457 0.500 -1.219) 3.699 2.615 ( -0.087 -0.891 0.900) 1.270 2.654 ( -2.059 0.250 0.590) 2.157 2.676 ( 0.429 2.792 1.303) 3.111 2.692 ( -1.370 -1.099 0.729) 1.902 2.718 ( 0.534 -0.651 -1.337) 1.580 2.737 ( 1.053 0.571 -0.426) 1.272 2.776 ( -1.077 0.677 1.664) 2.095 2.815 ( 2.069 -1.812 1.755) 3.263 2.828 ( -0.982 -0.371 -0.688) 1.255 2.839 ( -1.003 0.002 1.573) 1.865 2.859 ( -0.881 1.697 -1.388) 2.363 2.905 ( 1.456 2.007 -1.096) 2.712 2.919 ( -2.498 2.276 -1.628) 3.751 2.948 ( -1.043 0.177 -1.156) 1.567 3.014 ( 1.064 -1.886 -1.267) 2.509 3.042 ( 2.478 -1.404 -1.904) 3.426 3.106 ( 1.916 -2.522 2.366) 3.953 3.159 ( 0.430 -2.194 0.883) 2.404 3.177 ( -1.028 0.709 0.219) 1.268 3.213 ( 0.275 -0.303 -0.244) 0.476 3.250 ( 0.385 2.093 1.841) 2.814 3.266 ( -0.215 1.372 0.283) 1.418 3.287 ( 0.963 1.220 0.792) 1.745 3.331 ( 0.593 -1.812 0.915) 2.115 3.357 ( -1.179 -0.818 -0.621) 1.564 3.384 ( -2.185 -1.575 -1.169) 2.936 3.406 ( 0.643 0.024 -2.769) 2.843 3.425 ( 1.114 0.752 1.229) 1.821 3.445 ( 0.756 -0.886 -0.280) 1.198 3.477 ( 0.460 0.394 -0.979) 1.151 3.534 ( -1.287 -0.017 -2.069) 2.436 3.568 ( -0.844 -0.567 -1.322) 1.668 3.611 ( 0.076 1.897 -0.021) 1.898 3.634 ( 0.141 1.469 -0.380) 1.524 3.678 ( -0.427 -0.204 2.540) 2.583 3.699 ( 0.285 0.714 2.812) 2.915 3.809 ( 0.513 -0.113 1.305) 1.407 3.834 ( 0.956 0.088 -0.240) 0.989 3.853 ( 0.384 0.514 1.835) 1.944 3.882 ( -0.136 0.035 0.901) 0.912 3.937 ( -2.525 -0.467 0.208) 2.576 3.981 ( 1.125 -0.194 -0.964) 1.494 4.028 ( -1.288 0.816 1.056) 1.855 4.104 ( -1.024 -0.677 -2.234) 2.549 4.182 ( 2.031 1.095 1.753) 2.897 4.269 ( 0.201 -0.370 -0.724) 0.838 4.280 ( -0.319 0.034 -0.147) 0.353 4.301 ( -0.178 0.322 -1.540) 1.583 4.309 ( 1.090 -0.281 0.278) 1.159 4.341 ( -1.846 0.605 -2.109) 2.867 4.452 ( -0.841 0.495 0.874) 1.310 4.489 ( 1.396 0.098 0.166) 1.410 4.565 ( -0.227 0.526 0.124) 0.586 4.602 ( 0.828 -1.149 -0.518) 1.508 4.677 ( 0.320 -0.020 0.199) 0.377 4.690 ( -0.048 0.044 -0.493) 0.497 5.799 ( -0.853 -0.731 1.611) 1.964 5.834 ( -5.798 -4.385 5.222) 8.951 5.890 ( 0.565 -0.603 -2.110) 2.266 5.954 ( 2.038 -1.754 -1.664) 3.162 6.150 ( -0.518 -0.869 0.614) 1.184 6.177 ( 0.520 0.120 -0.469) 0.711 6.237 ( -0.143 1.532 0.767) 1.719 6.330 ( 0.133 2.645 -5.612) 6.205 6.440 ( -0.271 2.736 -0.760) 2.853 6.464 ( 0.550 0.006 -1.344) 1.452 6.549 ( -1.144 -0.038 1.852) 2.177 6.614 ( -3.754 0.025 -0.508) 3.788 6.652 ( -1.086 -0.122 1.834) 2.135 6.661 ( -1.009 0.098 1.320) 1.664 6.737 ( 2.468 -0.692 -1.458) 2.949 6.741 ( 1.916 -0.236 -2.233) 2.952 7.065 ( -1.419 0.185 1.170) 1.848 7.087 ( -0.818 0.550 2.351) 2.549 7.115 ( 0.987 -0.218 -1.258) 1.613 7.158 ( 0.446 -0.182 -0.853) 0.980 7.318 ( 0.258 -0.907 0.316) 0.994 7.329 ( -0.501 -0.655 -0.315) 0.883 7.357 ( 0.881 -1.951 1.309) 2.509 7.395 ( -0.105 -2.326 -0.591) 2.402 7.452 ( 2.308 -1.270 1.646) 3.106 7.465 ( -0.256 -0.325 -0.133) 0.434 7.501 ( 1.860 -1.642 2.354) 3.420 7.554 ( -1.156 -1.529 -0.845) 2.095 7.644 ( -0.134 0.854 1.074) 1.379 7.707 ( 0.105 -0.498 -1.756) 1.828 7.772 ( -0.060 -1.117 -0.764) 1.355 7.801 ( 1.172 -0.051 -1.843) 2.185 7.879 ( -0.597 0.575 2.882) 2.998 7.931 ( -4.218 0.818 0.777) 4.366 7.952 ( 5.727 -0.474 0.353) 5.757 7.980 ( 1.022 0.854 -2.200) 2.572======================= Grid point 41 (19/44) =======================q-point: ( 0.20 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( 1.133 4.521 7.975) 9.237 0.488 ( 0.344 1.168 -2.847) 3.096 0.546 ( 0.884 5.677 -3.934) 6.964 0.654 ( 4.028 5.160 -0.360) 6.556 0.714 ( -1.981 3.707 4.784) 6.368 0.768 ( -1.534 2.384 1.283) 3.111 0.835 ( -1.160 0.283 1.072) 1.605 0.840 ( -4.171 3.028 -0.224) 5.159 0.887 ( 0.551 2.198 -0.402) 2.302 0.949 ( -0.179 0.134 -7.058) 7.061 0.981 ( 1.691 3.942 5.421) 6.913 0.998 ( 1.674 -0.285 -0.526) 1.777 1.021 ( 2.038 -1.135 -0.080) 2.334 1.072 ( 1.828 0.579 -2.893) 3.470 1.147 ( -4.505 -1.694 2.322) 5.344 1.215 ( -1.943 0.113 -0.674) 2.059 1.255 ( -0.451 0.011 -0.228) 0.506 1.262 ( 0.710 -2.042 0.650) 2.257 1.313 ( 0.237 1.018 1.559) 1.876 1.335 ( -0.773 -0.852 0.563) 1.281 1.342 ( -0.075 0.847 1.648) 1.854 1.367 ( -1.155 0.393 2.500) 2.782 1.394 ( -0.592 -1.323 -1.751) 2.274 1.456 ( 0.411 -0.456 -2.180) 2.264 1.475 ( -1.252 0.419 -1.143) 1.746 1.530 ( -2.218 -0.183 1.974) 2.974 1.560 ( 0.744 0.429 -2.446) 2.592 1.606 ( -0.554 0.268 -0.842) 1.043 1.613 ( 0.151 -0.954 -3.528) 3.657 1.648 ( 0.702 -1.704 0.028) 1.843 1.705 ( -1.419 -1.071 -0.854) 1.972 1.745 ( 1.604 -2.246 0.921) 2.909 1.810 ( -0.350 -4.032 1.101) 4.194 1.833 ( 0.089 -2.537 2.268) 3.404 1.893 ( 2.098 -0.839 -1.365) 2.640 1.937 ( -0.020 -0.875 0.355) 0.945 1.984 ( 2.521 0.455 -3.468) 4.312 2.005 ( 1.653 -1.521 0.716) 2.357 2.054 ( -0.881 2.012 2.473) 3.307 2.088 ( -0.367 2.273 1.095) 2.549 2.153 ( 2.351 0.530 0.098) 2.412 2.216 ( -2.542 1.146 -0.040) 2.789 2.227 ( -1.944 1.237 -0.261) 2.319 2.249 ( -1.945 1.801 -0.372) 2.677 2.273 ( 1.295 -1.223 -1.374) 2.249 2.316 ( 1.666 4.388 -3.270) 5.720 2.419 ( -2.749 0.515 0.584) 2.857 2.454 ( -0.484 -0.412 -0.812) 1.031 2.490 ( -0.686 0.903 1.786) 2.116 2.495 ( -4.439 -0.972 -0.307) 4.554 2.535 ( -0.525 -0.060 -1.554) 1.641 2.584 ( -2.957 -0.291 1.591) 3.370 2.610 ( -2.237 0.810 3.336) 4.098 2.652 ( -0.732 -0.258 2.083) 2.223 2.679 ( -0.328 0.506 0.203) 0.636 2.695 ( 0.997 -1.666 -2.437) 3.116 2.734 ( 1.425 -0.252 -0.210) 1.462 2.742 ( 0.721 -0.220 1.095) 1.329 2.773 ( -2.141 0.797 0.957) 2.477 2.796 ( -0.436 0.863 -0.555) 1.114 2.823 ( -1.487 1.092 1.852) 2.614 2.841 ( 0.596 0.295 -0.359) 0.756 2.853 ( -0.160 -0.260 -0.373) 0.482 2.903 ( 0.933 0.320 -1.472) 1.772 2.911 ( 0.638 -0.091 1.762) 1.876 2.936 ( -0.007 0.342 -0.319) 0.468 3.049 ( 3.359 -0.965 -0.450) 3.523 3.064 ( 3.664 1.091 -2.193) 4.407 3.141 ( 0.133 -2.022 -1.784) 2.700 3.163 ( 1.321 -0.649 1.035) 1.799 3.190 ( -0.137 -1.729 0.609) 1.838 3.204 ( 0.743 -0.712 -0.397) 1.103 3.249 ( -1.186 1.907 -0.419) 2.284 3.284 ( -3.152 -0.780 -0.642) 3.310 3.289 ( 1.125 1.517 0.523) 1.959 3.343 ( 1.232 -1.043 1.042) 1.921 3.355 ( 1.235 -0.054 1.898) 2.265 3.362 ( 0.679 -0.555 -0.428) 0.976 3.389 ( -0.625 -0.302 1.364) 1.531 3.424 ( -0.227 -0.859 -3.618) 3.725 3.468 ( 0.665 -0.217 1.216) 1.402 3.477 ( 0.520 0.515 -1.975) 2.106 3.518 ( -0.763 0.616 -0.210) 1.003 3.545 ( 1.306 0.959 0.769) 1.793 3.632 ( 1.097 0.633 0.175) 1.278 3.644 ( 2.274 1.778 -0.747) 2.982 3.676 ( -1.494 0.266 0.118) 1.522 3.732 ( 0.255 0.055 0.813) 0.854 3.824 ( -0.314 -0.488 0.689) 0.900 3.844 ( 0.506 0.093 -0.081) 0.521 3.867 ( -0.821 0.135 0.851) 1.191 3.887 ( -0.200 -0.266 -0.098) 0.347 3.906 ( -1.654 -0.080 0.706) 1.800 3.988 ( 1.102 -0.022 -1.062) 1.530 4.044 ( -0.200 0.010 2.135) 2.145 4.063 ( -0.164 0.308 -0.473) 0.588 4.220 ( -0.600 0.935 -2.885) 3.092 4.247 ( 1.942 -0.159 0.614) 2.043 4.274 ( -0.511 0.350 0.513) 0.804 4.294 ( -1.532 0.138 -0.533) 1.628 4.312 ( 1.635 0.042 -0.266) 1.657 4.346 ( 1.706 -0.412 1.164) 2.105 4.444 ( -1.366 0.709 0.669) 1.678 4.505 ( 1.370 0.088 -1.041) 1.723 4.571 ( -0.332 -0.120 1.243) 1.292 4.597 ( 0.133 -1.432 -1.338) 1.965 4.679 ( -0.316 -0.055 -0.282) 0.427 4.689 ( 0.459 0.083 -0.088) 0.475 5.797 ( -3.417 -1.134 3.513) 5.031 5.814 ( -1.428 -1.324 2.266) 2.988 5.871 ( 0.787 -0.101 -2.161) 2.302 5.991 ( 3.032 -2.739 -0.289) 4.097 6.147 ( -0.625 -0.693 0.507) 1.062 6.178 ( 0.247 0.024 -0.379) 0.453 6.238 ( -0.974 1.867 0.619) 2.195 6.269 ( -1.132 2.685 -1.202) 3.152 6.440 ( 0.228 0.933 0.341) 1.020 6.465 ( 1.259 1.085 -1.060) 1.971 6.548 ( -1.695 -0.943 1.326) 2.350 6.600 ( 0.027 0.565 1.554) 1.654 6.658 ( -1.052 -0.321 1.635) 1.970 6.672 ( 0.408 0.008 1.339) 1.399 6.741 ( 1.991 -0.200 -2.360) 3.094 6.753 ( 2.022 -0.605 -2.308) 3.128 7.055 ( -1.346 0.336 1.176) 1.818 7.099 ( -0.976 0.650 2.043) 2.355 7.121 ( 1.067 -0.351 -0.800) 1.379 7.154 ( 0.635 -0.202 -1.254) 1.420 7.318 ( -0.271 -0.688 -0.373) 0.828 7.329 ( 0.545 -0.750 0.632) 1.122 7.376 ( -0.338 -1.840 -0.552) 1.950 7.379 ( -0.041 -1.225 0.357) 1.277 7.454 ( -1.106 -0.599 -0.667) 1.424 7.471 ( 0.090 -0.214 -0.053) 0.238 7.506 ( -1.760 -1.131 -1.509) 2.580 7.552 ( 0.567 -3.196 0.962) 3.386 7.666 ( 0.756 0.275 1.749) 1.925 7.693 ( 0.980 0.530 -2.038) 2.322 7.752 ( -1.623 -0.620 -0.759) 1.896 7.792 ( -0.147 -0.690 -0.934) 1.170 7.862 ( -3.841 1.911 1.046) 4.416 7.906 ( -0.814 -1.335 1.400) 2.099 7.976 ( 1.736 0.646 -1.622) 2.462 8.018 ( 2.586 -0.885 -0.812) 2.851======================= Grid point 42 (20/44) =======================q-point: ( 0.40 0.14 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.433 ( 2.300 3.000 -2.505) 4.535 0.520 ( 7.143 3.295 -5.181) 9.419 0.532 ( 1.498 4.079 4.668) 6.377 0.644 ( -7.534 1.529 -1.246) 7.788 0.665 ( -3.244 3.831 -2.829) 5.762 0.782 ( -3.710 2.882 2.483) 5.313 0.789 ( 1.631 2.300 2.215) 3.586 0.831 ( 0.799 3.149 3.219) 4.574 0.913 ( 2.348 -0.546 -1.577) 2.881 0.952 ( 4.830 1.678 0.286) 5.122 0.997 ( -1.702 1.115 -1.556) 2.562 1.017 ( -3.855 2.706 0.677) 4.758 1.031 ( -3.713 -1.428 -1.330) 4.195 1.068 ( -0.035 1.072 -0.536) 1.199 1.114 ( 2.164 -1.642 3.825) 4.691 1.201 ( -1.083 0.120 0.659) 1.273 1.237 ( -0.125 -2.440 0.630) 2.523 1.290 ( 0.138 -0.041 -1.388) 1.395 1.307 ( 0.032 -0.338 -0.324) 0.469 1.328 ( -0.076 -0.918 0.594) 1.097 1.346 ( -0.831 -0.041 -1.197) 1.458 1.378 ( -1.117 0.980 1.577) 2.167 1.383 ( 0.530 -0.988 0.961) 1.477 1.439 ( 0.615 1.031 -2.387) 2.671 1.453 ( 0.304 -0.496 -1.501) 1.609 1.513 ( 0.671 -0.707 0.731) 1.218 1.535 ( -0.687 -0.882 -1.800) 2.119 1.584 ( 1.555 2.074 -3.207) 4.124 1.593 ( -1.641 -1.807 0.471) 2.486 1.689 ( 1.653 -1.982 -1.002) 2.768 1.698 ( 0.910 1.463 4.149) 4.493 1.770 ( -0.434 -1.440 1.236) 1.946 1.809 ( -1.071 -3.170 0.855) 3.454 1.868 ( 0.465 -3.409 2.070) 4.015 1.911 ( 1.120 -1.781 -0.918) 2.296 1.937 ( -0.835 -1.436 1.120) 2.003 1.981 ( 1.474 0.993 -2.751) 3.275 2.040 ( 1.157 1.804 1.156) 2.435 2.062 ( -3.010 2.844 3.267) 5.275 2.093 ( 1.672 -0.071 -1.153) 2.032 2.146 ( -1.556 2.529 -1.612) 3.379 2.171 ( 0.127 -0.152 -3.051) 3.058 2.207 ( -1.392 0.605 -0.448) 1.583 2.222 ( 0.992 1.403 -1.137) 2.061 2.278 ( 0.803 0.647 -1.318) 1.673 2.327 ( 0.204 2.541 -0.237) 2.560 2.359 ( -0.145 -1.560 1.455) 2.138 2.447 ( -1.142 -0.921 -0.183) 1.479 2.466 ( -0.277 1.831 1.774) 2.565 2.490 ( -2.557 -0.363 2.422) 3.541 2.521 ( 0.483 0.282 -0.548) 0.783 2.564 ( -1.471 0.355 2.537) 2.954 2.613 ( -1.683 1.168 1.816) 2.737 2.644 ( -1.832 -0.763 0.415) 2.028 2.665 ( -0.137 1.063 -0.912) 1.407 2.693 ( 0.849 -0.342 -1.769) 1.992 2.731 ( -0.140 -1.241 -1.842) 2.226 2.739 ( -1.163 1.043 0.383) 1.609 2.768 ( -1.581 -0.444 1.316) 2.105 2.795 ( 1.163 -0.241 -1.341) 1.792 2.817 ( 0.753 0.030 -1.182) 1.401 2.848 ( 0.023 -0.359 0.028) 0.361 2.874 ( 1.072 -0.282 2.351) 2.600 2.911 ( 0.342 0.552 0.814) 1.042 2.930 ( -0.393 -0.782 2.368) 2.525 2.949 ( -0.468 -0.076 2.161) 2.212 3.083 ( 1.842 -1.011 -1.665) 2.681 3.094 ( 2.037 2.545 -0.955) 3.397 3.126 ( 0.370 -0.212 -1.662) 1.715 3.156 ( 0.142 0.164 -1.826) 1.838 3.202 ( 1.028 0.643 0.493) 1.309 3.222 ( -0.548 1.178 -0.840) 1.547 3.237 ( 0.625 -1.740 1.013) 2.108 3.263 ( -0.105 -0.141 1.677) 1.686 3.303 ( 0.062 -0.057 -1.733) 1.735 3.326 ( 0.279 -0.857 -3.051) 3.181 3.372 ( 0.365 -0.711 1.241) 1.476 3.379 ( -0.655 -0.842 -1.001) 1.462 3.396 ( -0.574 -0.908 1.084) 1.526 3.438 ( 1.530 -1.491 3.565) 4.156 3.471 ( 0.545 0.960 -0.530) 1.225 3.482 ( 0.630 0.932 0.502) 1.232 3.505 ( -0.520 0.681 1.637) 1.847 3.577 ( -0.255 1.159 -0.636) 1.346 3.617 ( -0.384 -0.312 -1.678) 1.750 3.669 ( 1.508 0.543 -0.578) 1.704 3.678 ( 0.760 1.181 0.258) 1.428 3.723 ( -1.455 0.471 0.512) 1.612 3.800 ( -0.413 -0.741 -3.969) 4.058 3.834 ( -0.066 0.163 -1.854) 1.863 3.854 ( 0.054 0.020 -1.104) 1.105 3.873 ( -0.615 0.615 -0.678) 1.103 3.916 ( -0.484 -0.436 3.278) 3.342 3.999 ( 0.605 -0.057 1.051) 1.214 4.059 ( 0.331 0.280 0.349) 0.557 4.069 ( -1.171 0.032 0.988) 1.532 4.209 ( 1.589 0.409 0.732) 1.796 4.265 ( 0.367 -0.555 0.167) 0.686 4.276 ( -0.527 0.304 0.409) 0.733 4.279 ( -0.309 0.104 0.450) 0.556 4.333 ( 1.383 -0.038 -1.267) 1.876 4.368 ( -0.485 -0.704 -0.093) 0.860 4.430 ( -0.793 0.719 0.721) 1.291 4.507 ( 0.996 -0.224 -1.866) 2.127 4.576 ( -0.675 -0.150 0.916) 1.147 4.588 ( 0.658 -1.083 -0.681) 1.439 4.674 ( -0.033 0.105 0.225) 0.250 4.693 ( 0.154 0.003 -0.120) 0.195 5.793 ( -2.373 -0.956 3.554) 4.379 5.820 ( -1.240 -0.980 1.998) 2.548 5.866 ( 1.396 -0.005 -1.596) 2.121 6.014 ( 0.688 -3.504 -1.825) 4.010 6.145 ( -0.432 -0.212 0.727) 0.871 6.177 ( 0.066 -0.130 -0.288) 0.323 6.232 ( 0.126 1.899 0.008) 1.903 6.248 ( -0.992 1.533 -0.005) 1.826 6.446 ( 0.172 0.388 0.115) 0.440 6.470 ( 0.620 1.157 -1.026) 1.666 6.546 ( -0.277 -0.335 1.528) 1.589 6.613 ( -1.585 0.047 2.224) 2.732 6.654 ( -1.119 -0.245 0.698) 1.342 6.693 ( -0.444 -0.459 1.148) 1.314 6.747 ( 2.079 -0.328 -2.189) 3.037 6.754 ( 1.774 -0.447 -2.515) 3.110 7.052 ( -0.990 0.406 1.487) 1.832 7.102 ( -1.401 0.627 1.482) 2.134 7.127 ( 0.786 -0.207 -0.832) 1.163 7.147 ( 0.819 -0.338 -1.575) 1.807 7.315 ( 0.316 -0.528 -0.112) 0.625 7.350 ( 0.514 -0.861 0.639) 1.189 7.353 ( -0.361 -0.603 -0.885) 1.130 7.392 ( -0.124 -0.888 0.519) 1.036 7.416 ( -0.353 -0.711 -0.948) 1.236 7.464 ( -0.354 -0.308 -0.453) 0.652 7.494 ( 0.696 -0.492 0.270) 0.894 7.556 ( -0.530 -2.706 -0.010) 2.757 7.692 ( 1.135 0.573 -1.348) 1.853 7.706 ( 0.671 0.159 0.912) 1.144 7.710 ( -0.683 0.141 -0.113) 0.707 7.776 ( -0.819 -0.651 -0.001) 1.046 7.828 ( -1.571 1.057 0.583) 1.981 7.901 ( -0.465 -2.023 -0.435) 2.121 7.989 ( 1.371 1.355 -0.730) 2.061 8.029 ( 0.482 -0.795 -1.071) 1.418======================= Grid point 43 (21/44) =======================q-point: (-0.40 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.384 ( -10.767 5.023 -1.410) 11.964 0.477 ( -6.204 5.778 -4.497) 9.596 0.546 ( 2.596 2.136 -0.676) 3.429 0.596 ( 5.995 7.200 -2.864) 9.797 0.702 ( 2.225 0.385 4.742) 5.252 0.784 ( 1.703 2.482 1.642) 3.429 0.836 ( -0.345 0.277 1.402) 1.470 0.890 ( 1.368 1.007 -1.475) 2.250 0.904 ( -2.605 2.555 5.789) 6.843 0.927 ( -2.022 1.147 -1.948) 3.033 0.945 ( 1.092 0.227 -2.827) 3.039 1.005 ( -1.133 2.234 1.623) 2.985 1.037 ( 1.511 1.812 0.587) 2.431 1.076 ( 3.231 0.538 -2.427) 4.077 1.161 ( -1.479 -1.651 3.336) 4.005 1.190 ( -0.587 1.286 1.021) 1.744 1.237 ( -0.857 -2.273 -0.891) 2.588 1.274 ( -0.096 -0.327 -0.064) 0.347 1.301 ( -0.815 0.595 0.262) 1.042 1.318 ( 1.763 -0.903 -1.338) 2.391 1.348 ( -0.367 -0.375 -0.465) 0.701 1.369 ( 0.355 -0.913 -1.621) 1.893 1.389 ( -0.860 0.380 1.003) 1.375 1.432 ( -1.068 0.854 0.913) 1.645 1.459 ( 2.568 0.732 -0.606) 2.738 1.512 ( 0.212 -1.369 -0.728) 1.565 1.529 ( 1.507 0.491 -2.642) 3.081 1.581 ( 2.605 -0.742 -1.282) 2.997 1.595 ( 0.340 -1.635 0.918) 1.906 1.696 ( 1.713 -3.139 -1.794) 4.000 1.761 ( -1.657 1.105 3.847) 4.332 1.779 ( -0.479 -1.074 1.351) 1.791 1.795 ( -0.911 -2.911 0.574) 3.104 1.876 ( -0.857 -3.394 -0.090) 3.502 1.898 ( -1.194 -3.162 0.797) 3.473 1.948 ( 0.833 -3.619 -0.075) 3.715 1.989 ( 0.004 2.117 1.134) 2.402 2.014 ( -3.205 3.409 0.491) 4.705 2.074 ( -0.738 3.238 1.027) 3.476 2.117 ( 1.476 0.675 0.291) 1.649 2.123 ( 0.508 -0.069 -4.230) 4.261 2.149 ( 3.524 0.824 -1.610) 3.961 2.180 ( -0.037 2.903 0.317) 2.920 2.212 ( -0.033 0.861 -1.609) 1.826 2.283 ( 0.601 0.350 -0.979) 1.201 2.333 ( 2.233 0.553 0.197) 2.309 2.411 ( 0.245 0.362 -1.044) 1.131 2.442 ( 2.099 -1.827 0.396) 2.811 2.487 ( -1.172 -1.082 2.781) 3.206 2.506 ( 1.874 0.492 3.031) 3.597 2.539 ( 1.776 0.645 0.431) 1.938 2.576 ( -2.711 -0.130 -0.021) 2.714 2.595 ( -0.313 -1.096 1.945) 2.254 2.626 ( -0.742 1.200 1.958) 2.413 2.659 ( -0.808 1.234 0.011) 1.475 2.683 ( 0.917 0.920 -1.991) 2.378 2.704 ( 1.140 0.911 -2.042) 2.509 2.737 ( -0.308 0.168 0.971) 1.032 2.749 ( -1.456 0.707 -0.293) 1.645 2.783 ( 0.764 0.827 -1.137) 1.600 2.822 ( 0.760 -2.587 -1.189) 2.947 2.848 ( 0.582 1.006 -0.989) 1.526 2.909 ( -0.948 0.277 1.771) 2.028 2.924 ( -1.104 -1.086 1.633) 2.250 2.958 ( -1.187 -0.427 3.820) 4.023 2.969 ( -0.650 -1.055 3.609) 3.816 3.063 ( -0.240 -0.956 -2.789) 2.958 3.102 ( 0.948 0.744 -4.010) 4.187 3.111 ( -0.614 0.820 -0.134) 1.034 3.159 ( 1.612 2.676 0.064) 3.124 3.193 ( -1.516 -0.408 -2.805) 3.215 3.199 ( -0.596 0.278 -0.754) 1.001 3.251 ( -0.494 -0.868 1.446) 1.758 3.269 ( -0.011 -0.049 0.084) 0.098 3.288 ( 0.131 -0.122 1.122) 1.136 3.302 ( -0.554 0.222 -1.472) 1.589 3.354 ( -1.181 -1.640 -0.457) 2.072 3.378 ( 0.293 0.176 0.055) 0.346 3.445 ( 1.106 -0.637 4.782) 4.949 3.473 ( -0.632 -0.892 -0.162) 1.106 3.482 ( 1.009 0.017 0.190) 1.026 3.510 ( -1.542 0.334 -1.165) 1.961 3.518 ( 0.820 0.169 1.723) 1.916 3.523 ( -0.130 -0.463 -1.693) 1.760 3.606 ( -0.024 1.217 0.543) 1.333 3.668 ( -1.568 0.329 0.221) 1.618 3.676 ( 0.327 -0.682 -1.810) 1.961 3.714 ( -0.374 0.794 -1.811) 2.012 3.765 ( 1.385 0.163 -0.246) 1.416 3.807 ( 0.321 0.617 -2.649) 2.739 3.852 ( -0.337 0.681 -0.629) 0.987 3.857 ( 0.979 0.727 -0.742) 1.427 3.951 ( -0.498 0.457 3.414) 3.481 4.007 ( -0.241 0.299 -0.830) 0.914 4.044 ( -2.577 -0.356 0.829) 2.730 4.082 ( 1.632 -0.378 1.174) 2.045 4.248 ( -1.609 -0.409 -0.693) 1.799 4.272 ( 2.526 0.009 0.872) 2.672 4.276 ( -0.305 0.161 1.092) 1.145 4.300 ( 0.963 -0.305 2.483) 2.681 4.319 ( -0.189 -0.283 -1.789) 1.822 4.331 ( -1.694 -0.669 -1.722) 2.506 4.441 ( 0.052 0.691 1.376) 1.540 4.490 ( 0.064 -0.257 -2.418) 2.432 4.571 ( -0.895 0.128 0.496) 1.031 4.598 ( 0.976 -1.198 -0.423) 1.602 4.682 ( 0.268 -0.051 0.450) 0.526 4.692 ( 0.110 0.230 -0.380) 0.458 5.799 ( -1.643 -1.147 2.453) 3.167 5.826 ( -2.465 -1.758 4.482) 5.409 5.878 ( 1.814 -0.011 -0.695) 1.942 5.978 ( -0.214 -2.100 -3.653) 4.219 6.149 ( -0.378 -0.366 0.828) 0.981 6.174 ( 0.128 -0.063 -0.387) 0.413 6.232 ( -0.337 1.313 0.036) 1.356 6.253 ( 2.181 2.709 -0.009) 3.478 6.445 ( -0.601 1.230 0.167) 1.380 6.467 ( 0.813 0.141 -0.942) 1.252 6.571 ( -1.047 -0.403 3.056) 3.255 6.601 ( -0.899 0.669 0.236) 1.145 6.645 ( -1.141 -0.091 1.230) 1.680 6.682 ( -1.788 -0.190 0.814) 1.974 6.749 ( 1.712 -0.294 -2.680) 3.193 6.755 ( 1.645 -0.645 -1.951) 2.632 7.059 ( -0.746 0.480 1.889) 2.087 7.091 ( -1.674 0.420 0.970) 1.979 7.122 ( 0.407 -0.146 -1.331) 1.399 7.148 ( 1.083 -0.479 -1.052) 1.584 7.324 ( 0.414 -0.472 0.424) 0.758 7.327 ( -0.826 -0.627 -0.559) 1.178 7.372 ( -1.089 -0.932 -0.501) 1.519 7.379 ( 1.300 -1.276 0.524) 1.896 7.439 ( 0.954 -0.387 0.047) 1.031 7.453 ( 0.639 -0.324 -0.955) 1.193 7.522 ( 0.903 -1.187 1.301) 1.979 7.532 ( -1.114 -1.779 -1.255) 2.445 7.661 ( -1.914 0.267 -0.210) 1.944 7.727 ( 2.977 0.475 -0.827) 3.126 7.743 ( 0.647 -0.906 0.656) 1.292 7.775 ( 1.192 -0.081 -0.276) 1.226 7.822 ( -0.540 0.859 1.505) 1.815 7.882 ( -0.272 -2.146 -1.709) 2.757 7.998 ( 0.424 1.658 -0.399) 1.757 8.013 ( -0.630 -0.524 -1.226) 1.474======================= Grid point 44 (22/44) =======================q-point: (-0.20 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.242 ( -3.034 10.360 4.234) 11.596 0.321 ( -6.736 9.993 1.385) 12.130 0.550 ( -7.120 10.237 4.053) 13.112 0.628 ( 1.332 5.112 0.334) 5.294 0.760 ( 0.790 -0.602 0.659) 1.192 0.804 ( 3.616 -1.894 -1.553) 4.367 0.841 ( 0.817 1.464 -6.214) 6.436 0.866 ( -2.331 5.093 -2.026) 5.956 0.910 ( -0.639 1.932 2.493) 3.218 0.938 ( 1.109 0.633 1.355) 1.862 0.985 ( 0.805 -0.102 -1.062) 1.337 1.003 ( 3.301 0.632 -0.091) 3.363 1.056 ( 1.700 0.455 0.623) 1.867 1.101 ( 2.136 -0.523 -2.216) 3.122 1.166 ( -2.956 1.760 3.057) 4.602 1.208 ( 0.862 1.462 2.441) 2.973 1.225 ( -0.904 -0.496 -0.197) 1.050 1.267 ( 0.298 -0.369 0.732) 0.872 1.298 ( -1.319 1.761 0.970) 2.405 1.304 ( -1.325 -1.072 -0.319) 1.734 1.319 ( -1.646 0.612 0.340) 1.788 1.378 ( 1.106 -0.695 -1.580) 2.050 1.393 ( -0.197 -1.133 1.023) 1.540 1.458 ( 2.775 -2.042 2.308) 4.147 1.500 ( 3.045 1.263 -1.150) 3.492 1.517 ( 1.872 0.605 -2.808) 3.429 1.537 ( 1.697 -1.376 0.232) 2.197 1.595 ( 0.832 -0.200 -1.674) 1.880 1.628 ( 2.494 -3.324 0.359) 4.171 1.691 ( 1.428 -3.219 -3.865) 5.229 1.743 ( -1.668 -2.927 0.534) 3.411 1.762 ( -0.988 -1.572 -0.245) 1.872 1.805 ( -2.142 -0.965 2.014) 3.095 1.853 ( -1.169 -3.123 -0.518) 3.375 1.894 ( -1.224 -2.959 0.676) 3.272 1.952 ( -0.620 -2.752 0.166) 2.825 1.962 ( -0.910 -0.419 -0.513) 1.125 2.016 ( -0.304 2.510 1.596) 2.990 2.056 ( -2.537 0.782 1.061) 2.859 2.079 ( -0.389 3.433 -1.983) 3.984 2.125 ( 0.408 0.240 -2.234) 2.284 2.186 ( 0.840 2.169 1.271) 2.651 2.204 ( 1.229 -0.079 1.620) 2.035 2.252 ( 5.004 2.782 0.547) 5.752 2.283 ( 1.754 1.762 -1.684) 3.002 2.339 ( -1.295 2.495 -2.067) 3.489 2.402 ( 3.627 0.318 -3.548) 5.083 2.478 ( 0.673 -2.500 0.916) 2.746 2.504 ( -2.198 -1.166 3.315) 4.145 2.528 ( -0.264 -0.094 -0.759) 0.809 2.533 ( 1.473 -1.348 -1.745) 2.652 2.593 ( 0.553 -0.557 2.085) 2.227 2.640 ( 1.213 0.727 2.547) 2.913 2.652 ( -1.266 1.034 -0.864) 1.849 2.653 ( 2.112 2.438 -0.195) 3.232 2.681 ( 0.966 0.047 2.700) 2.868 2.716 ( 1.893 0.793 -1.027) 2.295 2.727 ( -0.511 -0.389 -0.755) 0.991 2.759 ( 0.203 -0.283 2.582) 2.605 2.794 ( 0.093 0.206 0.257) 0.342 2.813 ( 0.394 -1.375 -0.660) 1.575 2.845 ( 0.227 -0.489 -0.540) 0.764 2.891 ( -0.786 1.240 -0.825) 1.684 2.911 ( -1.374 -0.000 -0.320) 1.410 2.971 ( -2.261 0.867 2.593) 3.548 2.984 ( -2.668 0.223 0.639) 2.753 3.033 ( 0.844 -0.805 -2.325) 2.601 3.060 ( -0.759 -0.288 -2.617) 2.740 3.071 ( -1.763 -0.517 -0.492) 1.901 3.141 ( 0.065 -1.220 -0.570) 1.348 3.186 ( -1.118 1.347 1.752) 2.476 3.200 ( 1.056 0.555 0.264) 1.222 3.251 ( -0.938 0.313 -0.311) 1.036 3.264 ( -0.282 1.333 -0.656) 1.512 3.283 ( -0.619 1.008 0.882) 1.475 3.303 ( 1.405 -0.330 -0.090) 1.446 3.357 ( 0.331 -2.612 1.673) 3.120 3.395 ( 0.801 0.577 0.465) 1.091 3.418 ( -2.104 -0.080 -2.085) 2.964 3.450 ( -1.484 0.295 -1.513) 2.140 3.468 ( -0.846 -1.290 -1.407) 2.088 3.491 ( -0.358 0.257 -1.005) 1.097 3.555 ( 1.675 -1.117 2.761) 3.417 3.559 ( 1.076 -0.494 0.167) 1.196 3.620 ( -1.105 -0.512 1.046) 1.606 3.645 ( 0.375 -0.655 -2.643) 2.749 3.662 ( -1.241 2.153 3.457) 4.258 3.682 ( -1.270 0.893 -0.672) 1.692 3.787 ( 0.979 0.111 -0.112) 0.992 3.807 ( 1.884 0.306 -0.396) 1.950 3.840 ( 0.230 1.096 -0.386) 1.185 3.872 ( 0.521 0.687 0.475) 0.984 3.968 ( -2.333 -1.062 2.577) 3.635 3.986 ( -0.204 -0.408 -1.364) 1.438 4.029 ( -0.548 1.387 1.135) 1.874 4.118 ( 1.107 -0.871 -0.026) 1.409 4.189 ( -2.850 -0.419 -1.252) 3.141 4.274 ( -0.927 -0.407 -0.041) 1.013 4.283 ( -0.146 -0.123 -0.238) 0.305 4.302 ( 0.191 -0.221 -0.935) 0.980 4.314 ( 0.648 -0.027 -0.263) 0.699 4.365 ( 2.022 0.211 0.705) 2.151 4.453 ( -0.471 0.467 0.791) 1.032 4.464 ( 0.323 -0.143 -0.608) 0.703 4.567 ( 0.120 0.578 -0.020) 0.591 4.600 ( 0.084 -0.785 -0.710) 1.062 4.681 ( -0.389 -0.136 -0.410) 0.582 4.693 ( 0.286 0.243 -0.175) 0.414 5.797 ( -1.169 -0.792 1.393) 1.983 5.844 ( -3.666 -4.470 5.902) 8.262 5.898 ( 0.882 -0.786 -1.064) 1.590 5.951 ( 1.363 -2.125 -1.564) 2.970 6.150 ( -0.519 -0.711 0.656) 1.097 6.174 ( 0.516 0.165 -0.464) 0.713 6.231 ( 0.069 1.190 0.131) 1.200 6.318 ( 6.115 2.763 -1.576) 6.892 6.442 ( 0.448 2.180 -0.076) 2.227 6.471 ( 0.552 -0.246 -0.645) 0.883 6.556 ( -1.210 0.789 0.099) 1.447 6.638 ( 0.023 -0.808 4.006) 4.087 6.648 ( -0.267 -0.142 2.370) 2.389 6.666 ( -1.555 0.051 1.248) 1.995 6.739 ( 0.677 -0.629 -3.253) 3.382 6.748 ( 0.592 -0.654 -2.199) 2.369 7.070 ( -1.054 0.740 1.721) 2.150 7.075 ( -1.359 0.170 1.452) 1.996 7.116 ( 0.962 -0.066 -1.348) 1.658 7.153 ( 0.760 -0.499 -0.421) 1.002 7.312 ( -0.182 -0.835 -0.312) 0.909 7.335 ( -0.040 -0.646 0.364) 0.743 7.350 ( -1.054 -1.365 -0.421) 1.775 7.401 ( 0.419 -2.213 0.301) 2.272 7.409 ( -0.855 0.359 -1.889) 2.104 7.470 ( 0.841 0.443 -0.014) 0.951 7.482 ( -1.452 -0.469 -0.346) 1.564 7.559 ( 0.686 -1.466 0.672) 1.752 7.641 ( -0.718 0.882 0.498) 1.242 7.728 ( -0.744 -1.593 -0.614) 1.862 7.783 ( 3.393 0.052 -2.572) 4.258 7.786 ( 1.192 -0.172 -0.725) 1.406 7.853 ( 0.953 0.460 2.360) 2.586 7.866 ( 1.006 0.446 0.296) 1.140 7.980 ( -1.994 0.566 -0.456) 2.122 7.994 ( -0.078 1.000 -0.983) 1.404======================= Grid point 45 (23/44) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( -0.486 9.067 3.397) 9.695 0.566 ( -0.202 8.222 3.606) 8.980 0.681 ( 2.472 6.981 -2.848) 7.935 0.736 ( -0.498 0.324 0.621) 0.860 0.794 ( -1.004 7.605 2.050) 7.940 0.818 ( 0.847 1.277 -1.691) 2.282 0.877 ( -3.296 5.284 -3.118) 6.964 0.883 ( 1.005 2.148 1.594) 2.857 0.951 ( 1.232 -0.669 0.847) 1.637 0.975 ( 1.887 4.053 -1.114) 4.607 0.983 ( -0.671 2.999 -0.411) 3.100 1.042 ( -1.153 0.837 -5.165) 5.358 1.060 ( 0.911 0.538 -1.917) 2.190 1.112 ( 0.218 0.955 -2.595) 2.774 1.150 ( -3.112 -0.451 1.740) 3.594 1.227 ( 0.359 1.926 0.743) 2.096 1.237 ( -1.819 -1.036 -0.250) 2.108 1.277 ( 0.303 -0.005 1.247) 1.283 1.294 ( 0.248 -0.937 0.903) 1.325 1.305 ( 0.867 -2.012 0.467) 2.240 1.344 ( 1.527 -0.660 1.467) 2.217 1.353 ( 0.571 -0.494 0.444) 0.876 1.399 ( -1.258 0.061 0.285) 1.291 1.458 ( -1.996 -3.064 1.317) 3.887 1.482 ( 0.227 -1.477 -0.041) 1.495 1.511 ( 2.824 -4.823 -0.318) 5.598 1.537 ( -1.531 0.178 0.034) 1.542 1.580 ( 3.077 -0.437 -3.495) 4.677 1.606 ( -1.579 -1.393 0.661) 2.207 1.629 ( 1.670 -0.748 -0.434) 1.880 1.682 ( -0.184 -1.594 0.868) 1.824 1.728 ( -0.249 -1.041 0.583) 1.218 1.739 ( -1.464 -1.790 0.068) 2.313 1.774 ( -1.236 -1.836 -0.132) 2.217 1.832 ( 0.453 -3.302 0.018) 3.333 1.870 ( 2.538 -5.472 -1.023) 6.118 1.986 ( 1.329 2.686 -0.709) 3.079 2.004 ( -1.520 0.984 -1.473) 2.334 2.084 ( -0.299 2.438 0.659) 2.543 2.123 ( -0.409 2.102 0.897) 2.322 2.153 ( -0.483 2.340 2.638) 3.559 2.229 ( 0.879 0.614 1.295) 1.681 2.254 ( 0.126 1.508 0.126) 1.518 2.292 ( -2.109 1.783 -0.289) 2.777 2.358 ( -1.311 2.819 -1.743) 3.564 2.411 ( 2.035 1.136 -3.158) 3.925 2.417 ( -1.283 -2.947 1.568) 3.577 2.447 ( 3.942 3.778 0.365) 5.472 2.501 ( 0.928 -2.003 -0.719) 2.322 2.509 ( 0.348 1.763 0.255) 1.815 2.570 ( -1.466 -2.132 -0.198) 2.595 2.587 ( 3.753 0.636 0.756) 3.881 2.610 ( -2.838 0.496 -0.567) 2.936 2.621 ( -2.053 -3.100 -1.528) 4.020 2.675 ( -2.721 -0.397 1.814) 3.295 2.701 ( 1.288 -0.522 -0.222) 1.407 2.712 ( -0.292 -1.269 -0.084) 1.305 2.732 ( 0.249 0.713 -0.822) 1.116 2.783 ( 0.198 -0.516 2.804) 2.858 2.796 ( 0.621 0.718 1.399) 1.691 2.818 ( -0.197 -0.623 1.969) 2.075 2.845 ( -1.891 0.293 2.446) 3.106 2.889 ( -1.192 0.840 -1.217) 1.899 2.921 ( 0.657 -1.021 -0.399) 1.277 2.951 ( -2.400 1.434 -2.136) 3.518 2.962 ( 1.265 0.505 -2.176) 2.567 2.980 ( -1.350 -0.951 -1.544) 2.261 3.023 ( 2.947 -0.873 -2.090) 3.717 3.076 ( 1.446 -0.183 2.077) 2.537 3.128 ( 0.548 -0.758 0.906) 1.303 3.176 ( 0.234 -1.054 -1.270) 1.667 3.217 ( -0.975 0.757 -0.646) 1.394 3.278 ( 0.505 -0.486 -0.591) 0.917 3.285 ( 0.797 -0.032 0.929) 1.224 3.297 ( 0.185 -0.532 -0.259) 0.620 3.311 ( -0.153 0.640 0.111) 0.667 3.330 ( -1.921 -0.303 1.892) 2.713 3.381 ( -0.395 0.940 -1.007) 1.433 3.397 ( 0.736 -0.059 -1.781) 1.928 3.433 ( 1.427 -0.135 -1.642) 2.180 3.448 ( 0.201 0.403 0.573) 0.729 3.484 ( -0.063 0.385 0.619) 0.732 3.529 ( -0.487 -0.402 -1.389) 1.525 3.554 ( -0.570 -0.885 -0.284) 1.090 3.633 ( 0.077 0.155 1.689) 1.698 3.654 ( -0.152 1.076 1.428) 1.795 3.694 ( 0.594 1.852 -1.143) 2.255 3.738 ( -0.401 2.672 1.423) 3.054 3.804 ( -0.226 -0.265 1.612) 1.649 3.822 ( 1.261 -0.757 -0.355) 1.513 3.866 ( 0.260 0.369 1.157) 1.242 3.873 ( -0.053 -0.963 1.111) 1.471 3.938 ( -1.100 0.368 -0.351) 1.212 3.979 ( 0.623 -0.175 -0.716) 0.965 4.053 ( -1.109 1.607 -0.358) 1.985 4.096 ( -0.627 0.049 -1.753) 1.862 4.209 ( 1.278 1.507 1.678) 2.592 4.260 ( 0.839 -0.507 -0.221) 1.005 4.282 ( -0.350 0.203 0.488) 0.634 4.297 ( -0.532 -0.548 -0.240) 0.801 4.304 ( 0.583 -0.103 0.289) 0.658 4.341 ( -1.439 -0.573 -1.609) 2.233 4.458 ( -0.248 0.062 0.645) 0.694 4.477 ( 0.910 -0.990 0.764) 1.546 4.573 ( 0.042 0.270 -0.336) 0.433 4.585 ( -0.009 -0.564 -0.442) 0.717 4.676 ( 0.152 -0.041 0.144) 0.213 4.689 ( -0.025 -0.208 -0.568) 0.605 5.780 ( -3.027 -1.698 3.618) 5.014 5.781 ( -1.039 -1.033 1.727) 2.265 5.877 ( 1.251 -0.686 -2.756) 3.104 5.913 ( 2.618 -2.244 -2.550) 4.289 6.141 ( -0.951 0.042 1.387) 1.682 6.177 ( 0.103 -0.260 -0.005) 0.280 6.260 ( 0.148 0.997 0.449) 1.103 6.330 ( 0.803 -1.282 -2.694) 3.090 6.463 ( -0.759 0.118 0.238) 0.804 6.479 ( 1.168 0.532 -0.432) 1.354 6.562 ( -1.957 1.470 0.657) 2.535 6.614 ( -1.271 -0.018 -0.209) 1.288 6.648 ( -0.990 -0.230 1.524) 1.832 6.662 ( -0.606 -0.112 0.770) 0.986 6.726 ( 1.812 -0.294 -1.192) 2.189 6.738 ( 1.547 -0.222 -2.212) 2.709 7.072 ( -1.021 0.525 0.748) 1.370 7.098 ( -0.450 0.364 1.512) 1.619 7.112 ( 0.605 0.061 -0.785) 0.993 7.147 ( 0.328 -0.853 -0.097) 0.919 7.299 ( 0.265 -0.912 0.313) 1.000 7.307 ( -0.367 -1.511 0.097) 1.558 7.321 ( 0.467 -1.382 0.783) 1.656 7.349 ( -0.237 -2.286 -0.390) 2.331 7.446 ( 1.073 0.422 0.773) 1.388 7.460 ( -0.459 -0.241 -0.018) 0.519 7.479 ( 0.311 -1.116 0.557) 1.285 7.521 ( -0.429 -1.796 -1.185) 2.194 7.661 ( -0.403 0.814 0.978) 1.335 7.695 ( -0.207 -0.634 0.126) 0.679 7.762 ( 0.707 -0.003 -1.848) 1.978 7.796 ( 1.278 -0.504 -2.393) 2.759 7.880 ( -0.770 -0.163 2.987) 3.089 7.917 ( -0.816 -1.502 1.597) 2.339 7.964 ( -0.187 1.307 -0.156) 1.329 7.995 ( 1.157 0.418 -1.544) 1.974======================= Grid point 46 (24/44) =======================q-point: ( 0.20 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( -0.053 7.854 5.255) 9.450 0.549 ( -1.241 4.965 -2.930) 5.897 0.658 ( -2.965 5.755 -0.883) 6.534 0.736 ( -0.780 3.717 -4.188) 5.654 0.771 ( 0.491 3.358 3.308) 4.740 0.836 ( 1.443 2.185 0.114) 2.621 0.877 ( -1.402 3.328 3.326) 4.910 0.915 ( -1.939 3.896 -0.359) 4.367 0.934 ( 0.250 2.090 -3.872) 4.407 0.954 ( -0.918 0.952 -1.915) 2.327 0.977 ( 2.665 -0.312 3.044) 4.058 1.011 ( 1.322 0.295 -2.295) 2.665 1.058 ( 0.913 1.388 -0.159) 1.669 1.095 ( 0.014 0.128 -0.279) 0.307 1.124 ( -4.417 2.204 2.277) 5.436 1.206 ( -1.812 -0.014 0.125) 1.816 1.228 ( 0.782 -1.733 0.590) 1.991 1.263 ( -1.125 -0.288 -1.523) 1.915 1.314 ( 0.125 -1.453 1.307) 1.959 1.319 ( 0.553 -1.037 0.144) 1.184 1.345 ( -1.259 -0.434 -1.753) 2.201 1.357 ( -0.722 0.231 0.506) 0.911 1.392 ( -1.653 0.876 1.763) 2.571 1.429 ( 0.810 -2.322 -0.637) 2.541 1.483 ( -2.835 -0.501 1.322) 3.168 1.508 ( 1.045 -1.915 0.088) 2.183 1.537 ( -0.863 -1.436 -2.069) 2.663 1.571 ( -0.096 -1.422 -0.696) 1.586 1.623 ( 2.532 -0.502 -1.544) 3.008 1.651 ( 2.035 0.510 -0.562) 2.172 1.687 ( -0.775 -1.546 -0.336) 1.762 1.720 ( 0.942 0.375 -0.486) 1.125 1.743 ( 0.436 -2.265 1.877) 2.974 1.779 ( 0.072 -2.676 1.591) 3.114 1.835 ( 0.612 -3.767 -0.644) 3.870 1.889 ( 0.310 -4.279 0.178) 4.294 1.995 ( 3.540 0.939 -2.089) 4.217 2.017 ( 2.406 2.683 -0.525) 3.642 2.092 ( -0.828 2.097 0.901) 2.428 2.123 ( 0.563 1.835 0.438) 1.969 2.192 ( 0.814 2.633 2.530) 3.741 2.229 ( -1.738 0.007 0.093) 1.741 2.243 ( -3.249 0.169 1.037) 3.415 2.280 ( 0.463 2.547 -0.943) 2.756 2.298 ( -1.850 2.570 -0.349) 3.185 2.390 ( -3.108 -0.031 -0.002) 3.108 2.399 ( 1.198 1.382 -3.233) 3.714 2.480 ( -5.498 -0.628 -0.179) 5.537 2.493 ( 0.286 2.791 1.715) 3.289 2.508 ( 1.111 -0.193 -1.046) 1.539 2.533 ( -0.545 0.621 -2.477) 2.611 2.549 ( -1.048 -2.378 1.200) 2.862 2.602 ( -0.477 -1.882 1.451) 2.424 2.648 ( -1.510 -0.627 0.596) 1.740 2.664 ( -0.203 -0.254 -0.496) 0.593 2.684 ( 0.633 -0.113 0.352) 0.733 2.724 ( 0.515 -0.955 0.396) 1.155 2.746 ( 1.409 0.994 0.733) 1.873 2.795 ( -1.268 0.485 0.313) 1.393 2.812 ( -2.385 -0.057 1.276) 2.705 2.822 ( -0.223 -0.388 -0.594) 0.743 2.835 ( -1.916 -0.370 3.141) 3.698 2.866 ( -0.018 1.211 -0.843) 1.476 2.912 ( -0.101 0.379 -0.260) 0.471 2.914 ( -0.323 0.330 -0.718) 0.854 2.926 ( -0.339 -0.910 0.203) 0.992 3.021 ( 3.951 -1.544 -1.223) 4.415 3.087 ( 6.046 0.027 -1.089) 6.144 3.119 ( 1.315 -0.380 -0.714) 1.544 3.133 ( 1.799 -0.839 0.258) 2.002 3.182 ( -0.758 -0.470 -1.808) 2.016 3.201 ( 1.188 0.652 1.295) 1.875 3.263 ( -1.532 -0.388 -0.530) 1.667 3.283 ( -1.563 0.401 -0.076) 1.615 3.299 ( 0.744 -1.552 -0.619) 1.829 3.311 ( 0.418 -1.183 1.111) 1.676 3.343 ( 0.014 -0.240 1.177) 1.201 3.376 ( -0.417 0.976 0.950) 1.424 3.384 ( 0.222 0.832 -0.207) 0.885 3.422 ( 0.878 1.023 -3.553) 3.800 3.471 ( 0.353 0.167 0.465) 0.607 3.487 ( 0.816 0.739 -0.149) 1.111 3.531 ( -0.660 0.319 -0.766) 1.060 3.540 ( 1.435 -1.622 1.435) 2.598 3.638 ( -0.886 0.370 -0.011) 0.960 3.674 ( -0.510 0.346 1.701) 1.810 3.693 ( 1.203 1.757 -0.942) 2.328 3.742 ( 0.429 0.860 -0.533) 1.099 3.814 ( -0.573 -0.247 0.481) 0.788 3.842 ( 0.914 0.060 0.803) 1.218 3.872 ( -0.511 -0.271 -0.244) 0.628 3.882 ( -0.221 0.029 0.254) 0.338 3.915 ( -1.418 0.947 0.315) 1.734 3.984 ( 1.184 -0.458 -1.086) 1.671 4.049 ( -0.479 0.555 1.416) 1.595 4.070 ( -0.030 0.375 -0.255) 0.454 4.240 ( -0.409 0.904 -1.885) 2.130 4.247 ( 0.560 0.167 0.179) 0.611 4.278 ( -0.514 0.038 0.321) 0.607 4.296 ( -1.148 0.120 -0.267) 1.185 4.316 ( 1.459 0.227 0.198) 1.489 4.333 ( 1.251 -0.615 1.384) 1.964 4.455 ( -0.813 0.409 0.199) 0.932 4.495 ( 0.946 -1.048 -0.424) 1.475 4.571 ( -0.170 0.069 0.299) 0.351 4.577 ( -0.168 -0.499 -0.512) 0.735 4.677 ( -0.184 -0.141 -0.136) 0.269 4.686 ( 0.230 -0.340 -0.140) 0.434 5.774 ( -2.448 -1.030 3.058) 4.050 5.790 ( -0.847 -1.246 1.942) 2.458 5.865 ( 1.409 -0.369 -2.566) 2.951 5.931 ( 2.962 -3.195 -2.398) 4.973 6.144 ( -0.847 0.267 1.409) 1.666 6.176 ( -0.139 -0.280 -0.007) 0.312 6.263 ( -0.522 0.875 0.381) 1.088 6.296 ( -0.800 0.195 -1.930) 2.098 6.452 ( -0.477 0.526 0.156) 0.727 6.491 ( 0.829 0.373 -0.610) 1.095 6.546 ( -1.842 1.415 2.156) 3.169 6.608 ( 0.037 0.246 0.535) 0.591 6.651 ( -0.946 -0.317 1.381) 1.704 6.670 ( 0.249 -0.296 0.870) 0.952 6.735 ( 1.629 -0.371 -1.991) 2.599 6.741 ( 1.810 -0.551 -2.000) 2.753 7.065 ( -0.960 0.692 0.864) 1.465 7.107 ( 0.108 -0.203 0.587) 0.630 7.118 ( 0.204 0.310 0.255) 0.450 7.146 ( 0.319 -0.542 -0.732) 0.965 7.301 ( -0.035 -0.950 -0.245) 0.981 7.313 ( 0.769 -0.860 0.547) 1.277 7.339 ( 0.417 -1.835 -0.180) 1.890 7.349 ( 0.871 -1.749 0.143) 1.959 7.441 ( -1.469 -0.437 -0.592) 1.643 7.466 ( 0.038 -0.349 0.168) 0.389 7.484 ( -0.688 -1.131 -0.306) 1.359 7.497 ( -0.286 -2.239 0.115) 2.260 7.673 ( 0.225 0.443 1.484) 1.565 7.696 ( 0.437 -0.168 -0.287) 0.549 7.748 ( -0.359 0.285 -1.292) 1.371 7.780 ( 0.389 -0.528 -2.051) 2.153 7.882 ( -3.020 -0.069 1.145) 3.230 7.891 ( -2.391 -0.273 1.687) 2.939 7.977 ( 1.868 0.172 -0.685) 1.997 8.011 ( 1.578 -0.174 -0.535) 1.675======================= Grid point 47 (25/44) =======================q-point: ( 0.40 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 2.008 5.804 -0.773) 6.190 0.609 ( 3.997 6.100 2.782) 7.806 0.622 ( -0.662 4.138 2.038) 4.660 0.697 ( -2.800 2.875 -1.414) 4.255 0.745 ( -1.602 4.480 -2.545) 5.396 0.805 ( -3.136 1.674 0.139) 3.558 0.854 ( -1.240 3.297 -0.899) 3.636 0.890 ( 0.958 1.593 -0.175) 1.867 0.924 ( -0.590 1.629 -0.549) 1.817 0.984 ( -1.287 -0.373 1.511) 2.020 0.999 ( -0.338 -0.430 -2.355) 2.418 1.010 ( -0.075 -0.170 1.323) 1.336 1.064 ( -0.255 -0.731 1.123) 1.364 1.075 ( 1.353 2.512 1.010) 3.027 1.124 ( -1.763 2.235 4.375) 5.220 1.205 ( -0.662 -0.421 0.495) 0.928 1.226 ( 0.086 2.045 -1.068) 2.308 1.277 ( -0.312 -1.334 -1.220) 1.834 1.283 ( 1.324 -1.662 -0.662) 2.225 1.308 ( -0.560 -1.345 -0.574) 1.566 1.327 ( 0.660 -0.974 -0.861) 1.458 1.366 ( -0.155 -0.176 -0.540) 0.589 1.387 ( -0.740 -0.335 1.914) 2.079 1.442 ( 0.284 -1.118 -0.382) 1.215 1.462 ( -1.699 0.263 2.882) 3.356 1.502 ( -0.439 0.466 0.691) 0.942 1.523 ( 0.412 -0.160 -3.330) 3.359 1.572 ( 2.023 -0.599 -0.732) 2.233 1.625 ( 1.173 0.999 -2.363) 2.820 1.651 ( 0.563 -2.208 -1.983) 3.021 1.698 ( 1.793 -1.406 1.154) 2.555 1.726 ( -0.419 -1.851 0.483) 1.958 1.760 ( -2.010 -2.911 1.865) 3.999 1.804 ( 1.660 -2.540 0.024) 3.035 1.837 ( 0.295 -3.395 -0.607) 3.462 1.883 ( -1.494 -3.772 -0.086) 4.058 2.032 ( 1.935 3.636 -1.044) 4.249 2.066 ( 4.493 1.146 1.034) 4.751 2.097 ( 1.090 1.483 0.219) 1.853 2.127 ( -1.888 2.442 1.115) 3.282 2.179 ( -3.989 0.633 -0.683) 4.096 2.197 ( -1.612 1.715 -0.261) 2.368 2.226 ( -0.686 2.053 0.551) 2.234 2.255 ( 0.626 1.833 1.113) 2.234 2.299 ( -2.548 1.239 -1.692) 3.300 2.349 ( 2.234 1.388 -0.564) 2.690 2.385 ( 0.713 2.753 -1.368) 3.155 2.420 ( -1.310 -2.018 0.478) 2.453 2.484 ( -2.555 0.020 0.295) 2.572 2.492 ( 0.620 -1.942 -3.038) 3.659 2.531 ( 0.057 2.655 1.550) 3.075 2.552 ( -1.067 -0.715 2.504) 2.814 2.605 ( -0.148 -1.811 -2.114) 2.787 2.627 ( 0.111 -1.046 2.029) 2.286 2.659 ( -0.850 -1.484 -0.485) 1.777 2.702 ( -0.017 1.665 1.360) 2.150 2.728 ( -0.580 -0.460 -0.261) 0.785 2.758 ( -2.212 0.699 0.225) 2.331 2.774 ( 0.435 0.923 0.624) 1.196 2.801 ( -0.143 1.088 -0.611) 1.256 2.820 ( 0.669 -0.805 -0.503) 1.161 2.845 ( -0.073 1.205 1.412) 1.858 2.869 ( 1.219 -0.283 0.555) 1.369 2.899 ( -1.475 -1.130 1.473) 2.371 2.926 ( -0.412 -0.498 1.595) 1.721 2.935 ( 0.293 -0.813 0.729) 1.131 3.049 ( 1.456 -1.423 -1.546) 2.556 3.121 ( 1.596 -0.160 -2.493) 2.965 3.144 ( 1.014 0.167 -0.884) 1.356 3.161 ( 1.473 0.541 0.038) 1.570 3.186 ( 1.719 -0.573 1.101) 2.121 3.230 ( 1.252 1.522 0.476) 2.027 3.252 ( -1.685 -0.204 -0.875) 1.910 3.257 ( -0.267 -0.117 1.669) 1.694 3.293 ( 0.325 -1.231 -1.884) 2.274 3.310 ( -0.124 -0.580 -1.017) 1.177 3.354 ( -0.864 -1.292 0.951) 1.822 3.377 ( -0.064 0.536 0.940) 1.084 3.392 ( 0.189 1.167 -0.198) 1.198 3.425 ( 1.875 0.800 1.354) 2.447 3.481 ( 0.865 -0.084 -0.196) 0.891 3.500 ( -0.392 0.786 -0.044) 0.879 3.512 ( -0.553 -0.045 1.044) 1.182 3.584 ( 1.256 -1.093 -0.802) 1.848 3.607 ( -1.285 -0.313 -0.764) 1.527 3.666 ( -0.279 -0.752 -0.038) 0.803 3.706 ( 0.587 1.432 -1.388) 2.079 3.742 ( -0.446 1.056 0.728) 1.358 3.793 ( -0.318 0.334 -2.823) 2.861 3.843 ( 0.310 0.558 -2.248) 2.337 3.854 ( -0.152 0.006 -0.897) 0.910 3.876 ( -0.605 -0.302 0.154) 0.693 3.925 ( -0.018 1.533 3.412) 3.740 3.998 ( 0.884 -0.130 0.693) 1.131 4.057 ( -0.893 -0.044 1.100) 1.418 4.075 ( -0.247 0.114 0.269) 0.382 4.222 ( 1.209 0.999 -0.128) 1.574 4.255 ( 0.334 -0.341 0.071) 0.482 4.277 ( -0.577 -0.110 0.570) 0.818 4.284 ( -0.268 0.080 0.211) 0.350 4.333 ( 0.516 0.147 -1.147) 1.266 4.353 ( -0.469 -0.770 -0.169) 0.918 4.445 ( -0.202 0.828 0.248) 0.887 4.497 ( 0.591 -0.862 -1.290) 1.661 4.570 ( 0.094 -0.432 0.091) 0.452 4.575 ( -0.201 -0.197 0.488) 0.564 4.675 ( 0.047 -0.069 0.134) 0.158 4.688 ( 0.050 -0.507 -0.068) 0.514 5.774 ( -1.958 -0.834 2.779) 3.500 5.797 ( -1.269 -1.320 2.011) 2.720 5.864 ( 1.819 -0.217 -2.092) 2.781 5.941 ( 2.058 -3.648 -2.908) 5.099 6.147 ( -0.914 0.334 1.359) 1.672 6.173 ( -0.250 -0.310 0.040) 0.400 6.261 ( 0.713 0.985 -0.466) 1.302 6.269 ( -0.933 0.640 -0.368) 1.190 6.452 ( -0.024 0.283 0.313) 0.423 6.487 ( -0.147 -0.070 -0.782) 0.798 6.555 ( -0.558 1.653 2.376) 2.948 6.614 ( -0.812 0.078 1.237) 1.482 6.649 ( -0.995 -0.195 0.908) 1.361 6.682 ( -0.295 -0.704 0.759) 1.077 6.738 ( 1.705 -0.528 -1.950) 2.644 6.743 ( 1.626 -0.638 -2.273) 2.867 7.064 ( -0.689 0.796 1.177) 1.579 7.111 ( -0.734 0.084 0.648) 0.983 7.121 ( 0.468 -0.150 -0.449) 0.665 7.141 ( 0.410 -0.348 -1.116) 1.238 7.303 ( 0.375 -0.585 0.075) 0.698 7.333 ( 0.254 -0.900 0.078) 0.939 7.340 ( 0.668 -0.696 -0.383) 1.037 7.365 ( 0.125 -1.764 0.115) 1.772 7.406 ( -0.405 -0.200 -0.196) 0.492 7.457 ( -0.600 -0.260 -0.238) 0.696 7.484 ( 0.457 -0.587 0.227) 0.778 7.496 ( -0.666 -3.206 0.627) 3.333 7.691 ( -0.806 -0.213 -0.122) 0.842 7.701 ( 0.213 -0.467 1.188) 1.294 7.729 ( 1.296 1.128 -1.813) 2.498 7.765 ( 0.314 -0.488 -1.211) 1.343 7.849 ( -1.997 0.917 0.927) 2.385 7.874 ( -1.255 -0.845 0.316) 1.545 7.999 ( 1.350 -0.015 -0.371) 1.400 8.020 ( 0.146 -0.296 -0.367) 0.493======================= Grid point 48 (26/44) =======================q-point: (-0.40 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( -7.391 7.266 -0.261) 10.368 0.594 ( 1.342 6.740 -1.344) 7.002 0.640 ( -3.021 6.224 0.648) 6.949 0.713 ( 2.923 3.491 1.221) 4.714 0.744 ( 5.338 2.467 1.004) 5.966 0.807 ( 0.195 3.789 -1.873) 4.231 0.870 ( 3.607 0.457 0.217) 3.643 0.897 ( 1.904 1.476 -1.362) 2.767 0.910 ( -1.967 1.134 2.450) 3.340 0.949 ( 2.856 0.711 -0.782) 3.046 1.010 ( -0.927 1.026 0.850) 1.624 1.045 ( 1.204 1.392 2.180) 2.853 1.051 ( -2.911 0.023 -1.574) 3.309 1.076 ( 1.044 -0.389 -0.238) 1.139 1.152 ( -0.987 1.474 3.820) 4.212 1.197 ( -0.792 -0.917 0.107) 1.216 1.244 ( 0.752 3.046 1.029) 3.301 1.260 ( 1.623 -0.796 -1.009) 2.071 1.295 ( 0.482 -0.655 -0.937) 1.241 1.300 ( -0.533 -2.344 0.580) 2.473 1.313 ( -0.009 -0.900 -1.597) 1.833 1.348 ( 0.754 -0.969 -2.742) 3.004 1.410 ( -1.366 0.263 3.598) 3.858 1.440 ( -0.644 -0.733 -0.703) 1.202 1.472 ( -0.315 0.161 -2.636) 2.659 1.488 ( -0.611 -0.380 3.293) 3.371 1.526 ( 3.127 0.916 -0.598) 3.313 1.562 ( -2.028 0.100 0.172) 2.038 1.623 ( 2.479 1.377 -3.621) 4.600 1.653 ( 2.213 -1.131 -2.324) 3.403 1.718 ( -1.604 -4.712 1.430) 5.179 1.733 ( -2.914 -2.922 1.278) 4.320 1.748 ( 0.978 -3.317 0.639) 3.517 1.812 ( -1.729 -2.392 0.963) 3.104 1.830 ( 1.410 -5.277 -1.195) 5.591 1.851 ( -0.830 -2.461 -1.149) 2.840 2.054 ( -1.443 3.199 2.413) 4.259 2.080 ( -3.786 3.064 -0.023) 4.870 2.108 ( -1.724 1.293 0.345) 2.182 2.121 ( 1.892 0.725 -1.644) 2.609 2.173 ( -2.011 2.598 1.531) 3.625 2.176 ( 4.492 1.514 0.098) 4.742 2.225 ( -0.408 2.872 -1.442) 3.239 2.236 ( 1.740 1.293 0.042) 2.168 2.308 ( 2.212 1.995 0.278) 2.992 2.354 ( 0.781 1.846 -1.755) 2.664 2.408 ( 2.285 -1.146 -0.403) 2.588 2.420 ( 1.593 -1.306 -1.885) 2.792 2.457 ( -0.655 -1.625 0.512) 1.826 2.510 ( 0.680 0.077 2.784) 2.867 2.540 ( 2.324 -1.480 -0.722) 2.848 2.562 ( -1.446 -0.004 -0.082) 1.448 2.586 ( -1.610 0.740 1.171) 2.125 2.631 ( 0.509 -1.284 -0.246) 1.403 2.655 ( 0.531 -0.246 1.127) 1.270 2.701 ( -0.540 -0.626 -2.056) 2.216 2.727 ( 0.538 2.073 1.641) 2.698 2.748 ( -0.478 0.537 1.169) 1.372 2.777 ( -0.403 0.553 -1.791) 1.917 2.784 ( -1.035 1.035 1.803) 2.323 2.808 ( 0.131 0.297 -1.832) 1.861 2.864 ( -0.284 0.816 0.584) 1.043 2.887 ( -1.138 -1.794 0.645) 2.220 2.913 ( 0.921 -0.022 1.323) 1.612 2.935 ( -0.748 -1.491 2.606) 3.095 2.960 ( 0.231 -0.345 2.651) 2.683 3.038 ( -0.033 -1.044 -1.671) 1.970 3.098 ( -0.242 -1.260 -3.494) 3.722 3.141 ( -0.904 1.391 -0.252) 1.678 3.175 ( 0.102 -0.738 -1.593) 1.759 3.190 ( -2.080 0.494 -0.381) 2.171 3.215 ( 0.172 1.175 0.164) 1.199 3.259 ( 0.759 0.954 1.191) 1.704 3.276 ( 0.254 -0.211 -0.101) 0.346 3.288 ( 0.300 -0.371 0.913) 1.030 3.296 ( 0.166 0.986 -0.421) 1.085 3.330 ( -1.971 -1.016 0.013) 2.217 3.385 ( 0.815 0.631 -0.488) 1.141 3.437 ( 0.729 -0.740 4.714) 4.827 3.461 ( -0.658 0.421 -0.498) 0.926 3.476 ( 1.556 0.029 -0.582) 1.661 3.507 ( -1.553 -0.722 -1.071) 2.020 3.514 ( 0.198 -0.895 0.791) 1.210 3.525 ( -0.849 0.484 -1.881) 2.120 3.616 ( -0.101 -0.660 0.266) 0.719 3.663 ( 0.260 -0.708 -1.038) 1.283 3.691 ( -0.218 2.435 -0.519) 2.499 3.739 ( -0.315 1.649 -1.468) 2.230 3.763 ( 0.567 -0.030 0.227) 0.611 3.819 ( 0.594 0.424 -2.557) 2.660 3.858 ( 0.375 -0.328 0.277) 0.570 3.865 ( -0.182 -0.187 -0.592) 0.647 3.967 ( -0.571 1.193 3.123) 3.391 4.008 ( -0.770 -0.145 -0.316) 0.845 4.049 ( -0.805 0.778 0.847) 1.404 4.078 ( 0.986 -0.091 0.437) 1.082 4.246 ( -1.621 0.243 -0.785) 1.817 4.270 ( 2.195 -0.041 0.721) 2.310 4.279 ( 0.035 0.033 0.886) 0.887 4.293 ( 0.487 -0.349 1.708) 1.810 4.309 ( -0.486 -0.569 -1.691) 1.849 4.321 ( -1.129 -0.391 -1.374) 1.821 4.455 ( 0.169 0.646 0.752) 1.006 4.482 ( -0.239 -0.546 -1.680) 1.783 4.574 ( -0.270 0.122 0.215) 0.366 4.581 ( 0.483 -0.583 0.224) 0.790 4.679 ( -0.093 -0.289 0.169) 0.348 4.689 ( 0.384 -0.488 -0.106) 0.630 5.776 ( -1.877 -1.027 2.665) 3.418 5.796 ( -2.045 -1.435 2.352) 3.431 5.873 ( 2.080 -0.400 -1.712) 2.724 5.928 ( 1.295 -2.703 -3.441) 4.563 6.145 ( -1.157 0.053 1.262) 1.713 6.172 ( 0.010 -0.269 0.074) 0.279 6.255 ( -0.194 0.981 -0.351) 1.060 6.283 ( 2.560 0.475 -0.458) 2.644 6.457 ( -0.038 0.121 0.611) 0.624 6.475 ( -0.016 0.211 -0.805) 0.832 6.576 ( -1.228 1.088 2.937) 3.364 6.612 ( -0.132 0.483 0.322) 0.595 6.644 ( -1.095 -0.019 1.207) 1.630 6.677 ( -1.205 -0.458 0.652) 1.445 6.739 ( 1.251 -0.768 -2.152) 2.605 6.742 ( 1.624 -0.532 -2.119) 2.723 7.071 ( -0.527 0.750 1.574) 1.822 7.100 ( -1.098 0.419 0.185) 1.190 7.119 ( 0.156 -0.108 -0.680) 0.706 7.137 ( 0.623 -0.602 -0.876) 1.232 7.311 ( -0.087 -0.711 0.410) 0.825 7.314 ( -0.966 -0.694 -0.447) 1.271 7.347 ( -0.972 -1.317 -0.266) 1.658 7.356 ( 0.508 -1.154 0.151) 1.270 7.429 ( 0.199 -0.293 0.057) 0.359 7.448 ( 1.208 -0.209 -0.402) 1.290 7.489 ( -0.826 -2.038 0.239) 2.212 7.501 ( 0.914 -1.586 0.660) 1.946 7.666 ( -1.419 0.311 0.127) 1.458 7.705 ( -0.562 -1.433 0.155) 1.547 7.752 ( 3.089 0.595 -1.181) 3.360 7.769 ( 1.917 -0.357 -1.417) 2.410 7.841 ( -0.608 0.920 1.216) 1.642 7.862 ( -0.372 -0.171 0.192) 0.452 8.003 ( -0.655 -0.283 -0.178) 0.736 8.015 ( 0.226 0.151 -0.486) 0.557======================= Grid point 49 (27/44) =======================q-point: (-0.20 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( -0.564 10.904 1.564) 11.030 0.526 ( -1.954 10.816 0.387) 10.997 0.669 ( 1.185 5.980 0.235) 6.101 0.744 ( -1.171 -0.457 -0.039) 1.258 0.787 ( 3.842 -0.006 -0.901) 3.947 0.830 ( -0.700 9.692 1.317) 9.807 0.856 ( 0.555 0.443 -3.283) 3.359 0.934 ( 1.258 0.415 0.199) 1.339 0.958 ( 1.357 1.711 1.150) 2.468 0.969 ( -1.884 3.266 -1.007) 3.903 0.990 ( -0.497 2.203 -0.709) 2.367 1.045 ( 3.283 2.024 0.625) 3.907 1.077 ( 1.448 3.002 -0.513) 3.372 1.086 ( 1.114 -0.634 -1.205) 1.759 1.191 ( -1.565 -0.095 3.942) 4.242 1.204 ( 1.306 -0.349 1.485) 2.008 1.254 ( 0.148 0.953 -2.461) 2.643 1.258 ( 0.207 -0.756 -0.893) 1.188 1.276 ( 0.020 -1.735 0.533) 1.815 1.303 ( -0.705 -1.619 0.488) 1.833 1.322 ( 0.259 -0.338 -0.166) 0.457 1.328 ( 0.860 -1.264 -0.386) 1.577 1.409 ( 0.554 0.528 -1.470) 1.658 1.423 ( -0.023 -1.431 2.151) 2.584 1.473 ( 1.045 -2.166 0.090) 2.406 1.513 ( -0.329 -0.957 -0.032) 1.012 1.542 ( 0.211 0.137 0.717) 0.760 1.576 ( 2.073 -0.111 -0.377) 2.110 1.608 ( 0.934 0.362 -2.594) 2.781 1.647 ( -0.802 -2.248 -2.026) 3.131 1.682 ( -0.874 -1.920 -0.451) 2.158 1.718 ( -1.377 -3.783 2.601) 4.793 1.759 ( -1.087 -2.485 0.522) 2.762 1.809 ( -1.719 -1.809 1.629) 2.980 1.822 ( -0.090 -3.368 -1.336) 3.625 1.846 ( 1.804 -5.662 -0.912) 6.012 2.002 ( -2.033 2.523 -1.407) 3.532 2.062 ( -3.117 1.127 -0.606) 3.369 2.077 ( 0.066 2.294 1.412) 2.695 2.129 ( -1.034 0.382 -0.002) 1.103 2.148 ( -1.968 2.841 1.310) 3.696 2.205 ( 0.810 1.605 -0.193) 1.808 2.239 ( 0.925 2.186 1.487) 2.801 2.306 ( 1.958 3.559 1.176) 4.229 2.340 ( 3.198 3.621 -0.821) 4.900 2.370 ( 3.062 -0.220 -0.180) 3.075 2.418 ( 2.838 0.293 -3.940) 4.865 2.432 ( 0.414 -1.956 -0.861) 2.177 2.482 ( 0.326 -1.608 0.520) 1.721 2.504 ( 1.265 -0.883 0.473) 1.614 2.546 ( -0.706 1.731 -0.302) 1.894 2.574 ( 2.176 -1.572 -1.301) 2.984 2.618 ( 0.629 -1.011 3.494) 3.691 2.641 ( 0.528 -2.172 -0.566) 2.305 2.672 ( 0.868 -1.258 -2.012) 2.527 2.696 ( 1.025 1.326 2.749) 3.220 2.726 ( -3.298 -0.399 1.750) 3.755 2.741 ( -0.353 2.303 -1.458) 2.748 2.771 ( -0.127 1.362 0.822) 1.596 2.783 ( -1.723 -0.517 2.072) 2.744 2.802 ( 0.279 -0.501 -0.370) 0.683 2.837 ( -1.044 -0.005 0.598) 1.203 2.900 ( 2.403 -0.506 -1.275) 2.767 2.914 ( -0.948 0.031 0.132) 0.957 2.961 ( 0.262 -1.848 -0.103) 1.870 2.987 ( -0.053 -0.109 0.720) 0.730 3.026 ( -0.775 0.356 0.676) 1.088 3.046 ( -0.974 -0.502 -1.679) 2.006 3.082 ( -4.401 0.656 -1.570) 4.719 3.124 ( -1.379 -0.655 -0.800) 1.724 3.192 ( -0.148 -0.478 0.066) 0.505 3.224 ( 0.145 1.975 0.514) 2.046 3.269 ( 0.797 -1.112 -1.033) 1.714 3.276 ( 0.387 1.016 -0.229) 1.111 3.297 ( 0.047 0.132 -0.782) 0.795 3.310 ( 0.206 1.194 0.411) 1.280 3.320 ( -0.378 -0.429 2.673) 2.733 3.401 ( 0.752 0.281 0.429) 0.910 3.415 ( -1.092 0.465 -1.773) 2.134 3.432 ( -1.612 -0.845 -2.681) 3.241 3.477 ( -1.325 -2.223 -0.055) 2.589 3.481 ( -0.000 1.118 -0.728) 1.334 3.535 ( 1.288 -0.217 2.198) 2.557 3.548 ( 0.253 -0.479 0.517) 0.749 3.610 ( -0.122 -0.884 0.744) 1.162 3.649 ( 0.168 1.040 -1.025) 1.470 3.703 ( -0.045 2.114 0.861) 2.282 3.721 ( -0.031 2.570 0.215) 2.579 3.785 ( 0.142 -0.189 1.689) 1.705 3.812 ( 1.633 -0.008 -1.966) 2.555 3.851 ( 0.182 0.030 -0.108) 0.213 3.869 ( -0.405 -0.958 0.665) 1.234 3.962 ( -1.840 0.114 0.248) 1.860 3.987 ( -0.778 0.400 -0.290) 0.921 4.062 ( 0.278 1.863 0.950) 2.109 4.105 ( 1.128 -0.255 -0.118) 1.162 4.200 ( -1.493 1.248 -0.765) 2.091 4.262 ( -0.758 -0.719 -0.939) 1.405 4.284 ( -0.371 0.035 0.580) 0.689 4.295 ( -0.063 -0.488 -0.418) 0.645 4.307 ( 0.146 -0.462 0.328) 0.585 4.351 ( 1.542 -1.312 0.972) 2.245 4.457 ( -0.283 -0.084 -0.799) 0.851 4.462 ( -0.236 0.047 0.694) 0.734 4.573 ( 0.255 0.186 -0.223) 0.386 4.587 ( 0.161 -0.488 -0.100) 0.524 4.676 ( -0.126 -0.226 -0.095) 0.276 4.694 ( 0.245 -0.284 -0.251) 0.451 5.777 ( -1.630 -1.154 2.313) 3.056 5.789 ( -2.766 -1.695 3.006) 4.423 5.884 ( 1.790 -0.763 -2.107) 2.868 5.911 ( 1.673 -2.011 -3.008) 3.986 6.142 ( -1.095 -0.058 1.272) 1.679 6.174 ( 0.150 -0.245 0.064) 0.294 6.253 ( 0.392 1.090 -0.188) 1.173 6.322 ( 3.061 -1.031 -1.407) 3.523 6.465 ( -0.163 -0.193 0.765) 0.805 6.469 ( 0.508 0.419 -0.626) 0.909 6.577 ( -0.772 1.345 0.447) 1.614 6.627 ( -0.601 -0.262 1.732) 1.852 6.645 ( -0.785 -0.187 1.623) 1.813 6.666 ( -1.065 -0.150 0.908) 1.408 6.727 ( 0.523 -0.447 -2.187) 2.292 6.741 ( 1.442 -0.370 -2.170) 2.632 7.080 ( -1.036 0.403 1.214) 1.646 7.087 ( -0.627 0.830 0.948) 1.408 7.115 ( 0.552 0.022 -0.975) 1.121 7.139 ( 0.442 -0.896 -0.068) 1.002 7.297 ( -0.309 -0.737 -0.128) 0.809 7.313 ( -0.708 -1.479 0.455) 1.702 7.325 ( -1.143 -1.071 -0.194) 1.578 7.358 ( -0.551 -2.073 0.106) 2.147 7.423 ( 1.009 0.978 -0.647) 1.548 7.468 ( 0.742 -0.581 0.088) 0.947 7.472 ( -1.032 -0.452 -0.057) 1.128 7.524 ( 0.916 -2.019 -0.036) 2.217 7.657 ( -0.494 0.759 0.782) 1.196 7.698 ( -0.587 -1.245 0.431) 1.442 7.773 ( 1.546 -0.316 -2.765) 3.184 7.787 ( 2.834 -0.300 -1.556) 3.247 7.855 ( -0.268 0.293 2.027) 2.066 7.879 ( 1.499 0.239 1.398) 2.064 7.984 ( -1.390 0.346 -0.019) 1.433 8.008 ( -0.254 0.160 -0.860) 0.911======================= Grid point 50 (28/44) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( -0.180 6.946 0.200) 6.951 0.674 ( -1.471 3.066 -1.168) 3.596 0.738 ( 0.287 -0.027 1.665) 1.690 0.766 ( 2.909 -2.649 0.786) 4.012 0.836 ( -0.618 5.391 -1.510) 5.632 0.902 ( 2.480 1.057 -0.108) 2.698 0.916 ( 0.577 1.356 -1.614) 2.185 0.935 ( -0.511 1.628 0.183) 1.716 0.991 ( -0.149 2.958 -0.490) 3.002 1.012 ( -0.230 -0.014 -2.185) 2.198 1.058 ( -0.313 3.589 -1.490) 3.899 1.072 ( -1.930 1.996 -4.930) 5.658 1.096 ( -3.293 2.168 -2.242) 4.536 1.107 ( 1.350 1.773 -1.033) 2.456 1.168 ( 0.741 -0.567 3.399) 3.525 1.193 ( -4.200 -5.071 -0.358) 6.594 1.240 ( 0.626 -1.060 0.360) 1.282 1.250 ( -0.530 -0.138 0.469) 0.721 1.267 ( 0.165 -0.549 0.465) 0.738 1.275 ( 1.829 -1.401 0.693) 2.406 1.308 ( 2.124 -0.900 1.139) 2.572 1.336 ( 1.288 -2.254 2.153) 3.373 1.400 ( -0.181 0.452 -0.304) 0.574 1.420 ( -1.168 -1.367 -0.621) 1.902 1.446 ( 0.766 0.107 -0.081) 0.778 1.470 ( 1.669 -1.094 -0.277) 2.014 1.528 ( -2.394 0.152 1.182) 2.674 1.556 ( 0.497 -1.648 -1.552) 2.317 1.606 ( -1.368 0.906 2.374) 2.886 1.623 ( -0.369 -0.426 1.975) 2.053 1.664 ( -0.103 0.014 1.977) 1.980 1.686 ( -1.095 -2.018 2.424) 3.338 1.748 ( 0.344 0.221 -2.303) 2.339 1.749 ( 0.522 -0.466 -2.153) 2.264 1.775 ( 2.348 -2.091 -1.629) 3.542 1.790 ( 2.581 -2.005 -1.701) 3.684 2.027 ( -0.337 1.484 0.402) 1.574 2.032 ( -1.660 1.065 0.695) 2.091 2.129 ( 0.419 1.907 1.867) 2.701 2.146 ( -0.200 0.220 2.122) 2.143 2.212 ( 0.021 3.824 1.225) 4.015 2.253 ( -1.470 1.866 -0.335) 2.399 2.280 ( -1.407 -0.516 -0.069) 1.500 2.321 ( -1.784 -2.942 0.044) 3.441 2.326 ( 0.994 1.634 -2.207) 2.921 2.398 ( 1.293 -2.837 -0.504) 3.158 2.427 ( 0.899 2.186 -0.473) 2.410 2.474 ( 0.553 -1.425 -0.618) 1.649 2.497 ( 3.071 1.311 0.450) 3.369 2.535 ( 0.730 0.197 -0.150) 0.771 2.538 ( -0.499 0.678 -0.651) 1.065 2.557 ( 0.841 -2.537 -1.785) 3.214 2.612 ( 1.549 0.628 0.554) 1.761 2.614 ( -3.428 0.528 -0.002) 3.469 2.671 ( -3.723 -1.488 1.114) 4.161 2.684 ( 1.412 -2.008 0.250) 2.468 2.701 ( 0.653 3.177 2.308) 3.981 2.752 ( -0.713 0.323 0.684) 1.040 2.783 ( -0.796 -0.077 -0.027) 0.800 2.798 ( -0.322 -0.579 1.544) 1.680 2.811 ( 0.261 0.589 0.952) 1.149 2.834 ( -2.417 -1.608 1.054) 3.088 2.890 ( 0.351 -0.177 -0.245) 0.463 2.898 ( 0.178 -0.701 -0.502) 0.880 2.951 ( 2.789 0.115 -0.670) 2.870 2.969 ( -0.172 -0.914 -0.446) 1.031 2.991 ( -1.575 1.598 -3.307) 3.996 3.010 ( -0.659 -0.321 -2.261) 2.377 3.083 ( 1.149 0.710 1.497) 2.016 3.108 ( 1.050 -1.701 2.327) 3.068 3.175 ( 0.224 1.258 -2.987) 3.249 3.207 ( 0.414 -1.710 -2.633) 3.167 3.264 ( 0.298 -0.160 0.480) 0.587 3.278 ( 0.003 -1.137 -0.081) 1.140 3.297 ( -0.128 1.617 -0.807) 1.812 3.318 ( -0.233 -0.141 -1.133) 1.165 3.349 ( -2.051 1.650 2.509) 3.636 3.389 ( -0.911 -1.340 0.400) 1.669 3.406 ( 0.257 0.726 -0.561) 0.953 3.421 ( 0.975 -1.261 0.175) 1.604 3.457 ( 2.151 1.962 -0.673) 2.988 3.490 ( 1.082 -0.885 -0.860) 1.641 3.527 ( -0.885 0.322 -1.053) 1.413 3.535 ( -0.127 -0.619 -0.725) 0.962 3.648 ( -0.827 1.282 3.071) 3.429 3.664 ( -1.030 -0.181 2.122) 2.366 3.730 ( 0.872 1.896 -2.224) 3.050 3.763 ( 0.171 -0.887 -1.775) 1.991 3.810 ( 0.831 0.981 1.896) 2.291 3.815 ( 0.533 0.146 1.013) 1.154 3.854 ( -0.229 -0.644 1.642) 1.779 3.861 ( 0.292 -0.829 1.457) 1.701 3.950 ( -0.793 0.935 -0.327) 1.269 3.969 ( -0.436 -0.882 -0.420) 1.070 4.083 ( -0.781 1.423 -1.441) 2.170 4.099 ( -0.506 -0.116 -1.828) 1.900 4.233 ( 0.853 1.037 1.153) 1.770 4.249 ( 0.751 -0.666 0.571) 1.155 4.285 ( 0.440 0.096 0.355) 0.573 4.289 ( -0.218 -0.242 0.374) 0.496 4.308 ( -0.192 0.577 0.449) 0.756 4.324 ( -0.981 -1.035 -0.341) 1.467 4.457 ( 0.243 -0.030 0.281) 0.373 4.462 ( 0.279 -0.533 0.282) 0.664 4.576 ( 0.008 0.141 -0.168) 0.220 4.579 ( 0.027 -0.164 -0.235) 0.288 4.677 ( 0.001 0.157 -0.032) 0.161 4.683 ( -0.059 -0.404 -0.328) 0.524 5.761 ( -1.834 -0.353 2.447) 3.078 5.764 ( -1.295 -0.623 1.924) 2.402 5.868 ( 1.731 -0.097 -2.929) 3.404 5.879 ( 2.206 -1.237 -2.896) 3.845 6.150 ( -0.902 0.762 1.477) 1.891 6.166 ( -0.479 -0.805 0.836) 1.255 6.278 ( 0.495 1.018 -0.489) 1.233 6.302 ( 0.707 -1.464 -1.423) 2.161 6.467 ( -0.874 0.336 1.286) 1.590 6.475 ( -0.382 -0.526 1.306) 1.459 6.594 ( -0.495 1.533 -0.587) 1.715 6.612 ( -0.385 -0.353 -0.588) 0.786 6.646 ( -0.814 0.107 1.291) 1.530 6.654 ( -0.531 -0.633 0.787) 1.141 6.726 ( 1.363 0.235 -1.400) 1.968 6.732 ( 1.365 -0.355 -1.823) 2.305 7.084 ( -0.619 0.718 0.401) 1.029 7.096 ( -0.272 -0.443 0.253) 0.578 7.119 ( 0.333 0.486 0.084) 0.595 7.130 ( 0.342 -0.769 0.159) 0.856 7.285 ( -0.139 -0.415 0.392) 0.587 7.287 ( -0.074 -0.534 0.396) 0.669 7.304 ( 0.064 -0.263 0.117) 0.295 7.314 ( -0.112 -1.270 -0.237) 1.297 7.453 ( 0.507 0.116 0.087) 0.527 7.460 ( 0.080 -0.653 0.124) 0.670 7.466 ( -0.320 0.925 -0.189) 0.997 7.490 ( -0.101 -1.470 -0.971) 1.764 7.674 ( -0.446 0.604 0.953) 1.213 7.685 ( -0.386 -0.520 0.823) 1.047 7.768 ( 1.170 0.619 -2.150) 2.525 7.783 ( 1.366 -0.812 -2.348) 2.835 7.881 ( -0.990 0.349 2.369) 2.591 7.893 ( -1.035 -0.946 1.970) 2.418 7.985 ( 0.033 0.831 -0.473) 0.957 7.996 ( 0.593 -0.290 -0.901) 1.117======================= Grid point 51 (29/44) =======================q-point: ( 0.20 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( -0.948 4.129 1.780) 4.596 0.644 ( -0.433 3.511 -0.898) 3.650 0.745 ( -2.166 3.478 0.058) 4.098 0.809 ( -1.007 0.429 -2.508) 2.737 0.819 ( 0.932 2.123 -0.594) 2.394 0.847 ( 0.225 -0.349 1.127) 1.201 0.910 ( -2.775 1.124 -1.147) 3.206 0.926 ( -3.534 -0.390 -2.361) 4.268 0.975 ( -1.521 1.673 0.141) 2.265 0.991 ( -1.511 2.009 -1.292) 2.827 1.001 ( 0.473 0.462 0.903) 1.119 1.033 ( 2.252 1.403 -0.658) 2.733 1.057 ( -2.528 -0.321 1.829) 3.137 1.093 ( -0.658 0.630 -1.257) 1.552 1.163 ( -0.872 -2.271 3.109) 3.947 1.171 ( -4.676 -0.728 2.587) 5.394 1.233 ( 1.767 1.957 -0.827) 2.763 1.259 ( 1.582 -0.441 -0.759) 1.809 1.291 ( 0.746 -0.324 -1.776) 1.954 1.305 ( 1.116 0.111 -0.915) 1.447 1.333 ( -0.238 -1.129 -0.895) 1.460 1.349 ( 1.053 -1.710 0.930) 2.213 1.407 ( 0.770 0.778 -1.070) 1.531 1.415 ( -1.104 1.363 1.763) 2.486 1.457 ( 2.035 -1.387 -1.043) 2.675 1.481 ( -1.595 0.114 1.249) 2.029 1.515 ( -0.079 -1.423 -0.067) 1.427 1.550 ( -0.447 -1.948 -0.385) 2.035 1.605 ( -1.882 0.428 1.590) 2.501 1.635 ( -1.208 -1.590 1.546) 2.525 1.677 ( 0.091 0.168 -0.090) 0.211 1.697 ( 0.221 -2.204 0.924) 2.400 1.743 ( 2.444 1.354 -2.064) 3.474 1.755 ( 1.641 0.817 -0.291) 1.856 1.791 ( 1.946 -1.448 -1.048) 2.642 1.808 ( 2.388 -3.462 -1.804) 4.576 2.027 ( 1.512 2.292 0.099) 2.748 2.055 ( 1.292 0.161 1.584) 2.050 2.145 ( -0.651 3.333 -0.738) 3.475 2.163 ( 0.321 1.912 1.218) 2.289 2.209 ( -2.442 -0.800 0.964) 2.744 2.227 ( -3.528 -2.034 0.828) 4.156 2.251 ( 1.260 2.654 0.286) 2.952 2.306 ( -0.205 -2.197 0.874) 2.373 2.351 ( 0.014 4.176 0.902) 4.273 2.392 ( -1.914 2.295 -1.081) 3.178 2.419 ( 0.773 -1.316 -0.855) 1.749 2.444 ( -3.459 -2.624 -2.522) 5.021 2.477 ( 0.419 -0.725 -2.003) 2.170 2.490 ( -1.270 -2.524 0.603) 2.889 2.560 ( -0.791 1.657 -2.936) 3.463 2.569 ( -0.405 2.006 1.419) 2.490 2.583 ( 0.303 0.558 2.239) 2.327 2.613 ( -1.809 -2.117 -1.241) 3.049 2.674 ( 0.280 0.061 2.547) 2.563 2.689 ( -0.704 0.901 1.268) 1.708 2.719 ( -0.049 0.476 -0.417) 0.635 2.753 ( -0.309 -1.142 0.276) 1.214 2.786 ( 0.725 0.171 0.234) 0.781 2.805 ( 0.106 -0.540 -0.265) 0.611 2.818 ( -1.666 -0.285 2.044) 2.652 2.823 ( -0.700 -0.612 2.624) 2.784 2.890 ( 0.385 0.964 -1.132) 1.535 2.899 ( 0.548 -0.460 -0.226) 0.750 2.923 ( -1.886 0.389 -0.832) 2.097 2.926 ( -0.646 -0.088 -1.504) 1.639 3.015 ( 3.548 1.001 -0.469) 3.716 3.050 ( 3.708 -2.412 -0.095) 4.425 3.120 ( 1.756 0.778 0.750) 2.062 3.151 ( 2.475 -0.163 -0.331) 2.503 3.156 ( 1.175 -0.106 -1.322) 1.772 3.192 ( 1.529 -1.966 -2.077) 3.243 3.263 ( -1.004 -0.273 0.172) 1.054 3.267 ( -0.708 -0.531 0.066) 0.888 3.297 ( 0.116 1.099 -0.281) 1.140 3.306 ( 0.094 0.226 0.087) 0.260 3.348 ( -1.118 1.059 1.508) 2.155 3.377 ( -1.171 -0.893 0.400) 1.527 3.416 ( 0.877 1.489 0.679) 1.857 3.438 ( 1.823 -0.487 -1.284) 2.282 3.469 ( 0.111 0.785 -1.911) 2.069 3.498 ( 0.547 -1.883 -0.659) 2.069 3.515 ( 1.592 1.378 0.477) 2.158 3.531 ( 0.173 -0.290 -0.154) 0.371 3.647 ( -2.372 0.617 1.037) 2.661 3.664 ( -2.415 -1.063 2.013) 3.319 3.726 ( 1.109 1.517 -0.907) 2.087 3.747 ( 0.379 -0.542 -1.295) 1.454 3.821 ( -0.306 1.013 0.164) 1.071 3.844 ( 0.609 -0.867 0.297) 1.101 3.867 ( 0.244 0.723 0.869) 1.156 3.881 ( 0.539 -0.410 -0.047) 0.679 3.939 ( -0.426 1.571 0.539) 1.715 3.968 ( 0.621 -1.269 0.064) 1.414 4.063 ( -0.647 0.797 0.338) 1.081 4.073 ( -0.471 -0.139 -0.351) 0.603 4.250 ( 0.022 0.245 -0.386) 0.458 4.252 ( -0.151 0.137 -0.614) 0.647 4.278 ( -0.508 0.229 -0.063) 0.561 4.291 ( -0.996 -0.884 -0.274) 1.359 4.321 ( 1.466 0.765 0.866) 1.867 4.331 ( 1.074 -0.092 0.930) 1.424 4.461 ( 0.101 0.316 -0.150) 0.364 4.473 ( 0.713 -1.016 -0.158) 1.251 4.572 ( -0.325 0.118 -0.111) 0.363 4.574 ( -0.274 -0.066 -0.137) 0.314 4.675 ( -0.164 0.013 -0.019) 0.166 4.679 ( -0.064 -0.351 -0.047) 0.359 5.763 ( -1.574 -0.125 2.386) 2.861 5.770 ( -1.095 -0.792 2.036) 2.444 5.863 ( 1.908 0.261 -2.798) 3.397 5.881 ( 2.418 -1.806 -2.874) 4.168 6.154 ( -0.848 0.682 1.425) 1.793 6.167 ( -0.599 -0.666 0.748) 1.167 6.276 ( -0.021 0.614 -0.483) 0.781 6.289 ( -0.111 -0.679 -1.281) 1.454 6.464 ( -1.041 0.715 0.940) 1.574 6.480 ( -0.916 -0.941 1.043) 1.677 6.585 ( -0.062 1.930 0.198) 1.942 6.607 ( 0.168 -0.423 0.095) 0.465 6.648 ( -0.708 0.163 1.140) 1.352 6.659 ( -0.119 -0.761 0.734) 1.064 6.730 ( 1.324 -0.043 -1.661) 2.124 6.733 ( 1.412 -0.303 -1.826) 2.328 7.081 ( -0.472 0.901 0.511) 1.138 7.097 ( 0.056 -0.723 0.208) 0.754 7.126 ( 0.218 0.421 0.098) 0.484 7.135 ( 0.302 -0.582 -0.272) 0.710 7.289 ( 0.323 -0.132 0.197) 0.401 7.297 ( 0.707 -0.798 0.422) 1.146 7.315 ( 0.948 -0.420 -0.044) 1.038 7.322 ( 1.148 -0.995 -0.029) 1.519 7.441 ( -1.654 0.379 -0.513) 1.773 7.455 ( -0.944 -0.992 -0.054) 1.370 7.466 ( -0.235 -0.157 0.352) 0.451 7.472 ( -0.126 -0.649 -0.448) 0.799 7.682 ( -0.157 0.437 1.189) 1.276 7.690 ( -0.163 -0.417 0.778) 0.897 7.758 ( 0.535 0.651 -1.965) 2.138 7.770 ( 0.651 -0.594 -2.289) 2.453 7.879 ( -2.157 -0.005 1.582) 2.675 7.883 ( -2.400 -0.434 1.460) 2.842 7.989 ( 1.053 0.844 -0.371) 1.400 8.004 ( 1.096 -0.628 -0.474) 1.350======================= Grid point 52 (30/44) =======================q-point: ( 0.40 0.43 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( -0.390 4.320 0.320) 4.350 0.666 ( -0.525 0.299 3.821) 3.868 0.721 ( -1.009 4.358 0.392) 4.491 0.758 ( 0.891 2.047 -1.896) 2.929 0.813 ( -1.399 3.241 -2.236) 4.179 0.840 ( 0.012 1.743 0.995) 2.007 0.876 ( -0.905 -1.304 -1.025) 1.889 0.889 ( 0.798 -2.253 2.256) 3.287 0.947 ( -0.428 1.255 -2.515) 2.843 0.963 ( -2.992 -0.539 1.478) 3.380 1.007 ( -0.686 0.859 -0.938) 1.445 1.012 ( -0.006 0.113 1.682) 1.686 1.067 ( -0.996 1.451 0.156) 1.767 1.103 ( -1.123 -0.813 -0.829) 1.615 1.155 ( -0.522 1.083 3.741) 3.929 1.175 ( -1.503 -1.336 1.966) 2.812 1.253 ( 1.818 -0.212 -1.531) 2.387 1.269 ( 0.463 -1.276 -2.651) 2.979 1.286 ( 1.679 2.006 0.026) 2.616 1.289 ( 0.376 0.093 0.222) 0.447 1.322 ( -0.020 0.959 -1.391) 1.689 1.357 ( -0.413 -1.445 -0.877) 1.740 1.394 ( -1.081 1.723 -0.537) 2.104 1.416 ( 0.469 -0.549 0.078) 0.726 1.479 ( -1.908 1.894 4.084) 4.889 1.501 ( 3.535 -0.967 -0.924) 3.779 1.522 ( 0.830 -1.359 1.457) 2.159 1.544 ( -0.226 -1.334 0.440) 1.423 1.592 ( -1.168 -2.732 1.306) 3.245 1.609 ( -2.832 -2.222 0.033) 3.600 1.668 ( 0.643 -0.216 -1.904) 2.021 1.693 ( -0.810 -2.741 -1.268) 3.127 1.751 ( 1.979 3.020 -2.739) 4.532 1.786 ( 1.711 0.949 -0.607) 2.048 1.805 ( 0.381 -1.952 -1.348) 2.403 1.820 ( 1.137 -2.466 -0.929) 2.870 2.084 ( 4.354 1.694 0.683) 4.721 2.098 ( -0.087 1.283 3.160) 3.412 2.131 ( 0.198 1.965 0.207) 1.986 2.168 ( -0.298 2.233 -0.020) 2.252 2.171 ( -3.489 -1.457 1.096) 3.937 2.204 ( -0.857 -0.927 1.697) 2.115 2.274 ( -2.003 2.193 -1.100) 3.167 2.290 ( -0.346 1.498 0.375) 1.582 2.316 ( -1.347 0.593 -0.948) 1.751 2.359 ( -1.189 -3.009 -0.411) 3.261 2.401 ( 1.339 2.494 -0.803) 2.943 2.421 ( 0.769 0.683 -2.763) 2.948 2.463 ( 1.000 -0.147 -2.547) 2.740 2.488 ( -2.087 -0.915 1.594) 2.781 2.517 ( -0.337 -0.124 -0.605) 0.703 2.552 ( 0.712 -2.867 -2.141) 3.649 2.603 ( -0.179 1.378 1.232) 1.857 2.610 ( 0.087 0.231 2.068) 2.083 2.652 ( -2.573 0.906 0.552) 2.783 2.692 ( -2.455 -1.918 1.857) 3.627 2.743 ( 1.145 1.578 0.750) 2.089 2.768 ( 0.180 -0.420 1.205) 1.289 2.778 ( -0.321 0.153 -1.251) 1.300 2.793 ( -0.399 -0.944 -0.600) 1.188 2.837 ( 0.551 1.050 2.108) 2.419 2.848 ( -0.250 -0.470 2.378) 2.437 2.876 ( 0.293 0.820 -1.210) 1.490 2.891 ( -0.132 -0.247 -1.441) 1.468 2.914 ( -0.220 0.011 1.506) 1.522 2.924 ( 0.680 -0.635 -0.013) 0.930 3.047 ( 1.059 1.150 -0.630) 1.685 3.084 ( 0.984 -2.437 -0.827) 2.755 3.143 ( 0.592 0.652 0.196) 0.902 3.172 ( 1.831 -1.004 -1.134) 2.376 3.194 ( 2.819 0.684 -0.037) 2.901 3.210 ( 0.894 -1.627 0.676) 1.976 3.248 ( -0.569 0.203 -0.051) 0.606 3.260 ( -0.407 -0.957 0.176) 1.055 3.298 ( 0.319 2.027 0.298) 2.074 3.309 ( -0.570 0.240 0.737) 0.962 3.342 ( -1.191 0.586 0.542) 1.434 3.372 ( -0.393 -1.299 1.287) 1.870 3.432 ( 0.095 2.548 -1.429) 2.923 3.448 ( 1.619 0.770 0.661) 1.911 3.466 ( 1.683 -0.762 -0.576) 1.935 3.494 ( -0.062 -2.250 -0.222) 2.262 3.524 ( -0.457 1.625 -1.018) 1.971 3.552 ( 1.427 -1.357 -0.750) 2.107 3.613 ( -2.362 0.967 0.743) 2.658 3.641 ( -1.457 -1.649 0.839) 2.355 3.731 ( 0.450 1.171 -0.800) 1.488 3.748 ( 0.239 -0.435 0.444) 0.666 3.812 ( -0.041 1.437 -1.360) 1.979 3.839 ( -0.125 -1.086 -1.260) 1.669 3.861 ( 0.000 0.586 -2.277) 2.351 3.869 ( 0.069 -0.311 -1.758) 1.786 3.963 ( 0.219 2.007 2.993) 3.610 3.991 ( 0.465 -0.796 1.734) 1.964 4.061 ( -0.829 0.445 0.850) 1.268 4.071 ( -0.528 -0.465 0.579) 0.911 4.241 ( 0.746 0.795 -0.279) 1.126 4.250 ( 0.430 -0.255 0.033) 0.501 4.275 ( -0.286 0.044 0.353) 0.457 4.280 ( -0.338 -0.382 0.286) 0.584 4.338 ( 0.143 0.332 -1.121) 1.178 4.344 ( -0.115 -0.250 -0.720) 0.771 4.460 ( 0.264 0.766 -0.144) 0.823 4.477 ( 0.443 -1.066 -0.607) 1.304 4.568 ( -0.085 0.122 0.274) 0.312 4.572 ( -0.166 -0.232 0.376) 0.472 4.674 ( -0.017 0.004 0.027) 0.032 4.678 ( -0.115 -0.426 0.013) 0.441 5.766 ( -1.581 0.008 2.252) 2.752 5.775 ( -1.355 -0.915 2.025) 2.603 5.863 ( 2.094 0.407 -2.485) 3.275 5.886 ( 2.256 -2.045 -2.807) 4.141 6.155 ( -0.980 0.494 1.206) 1.631 6.165 ( -0.639 -0.500 0.608) 1.014 6.272 ( 0.541 0.284 -0.662) 0.901 6.274 ( -0.111 0.004 -0.680) 0.689 6.460 ( -0.654 0.569 0.737) 1.137 6.474 ( -0.846 -0.886 0.576) 1.354 6.593 ( -0.022 1.779 0.894) 1.991 6.613 ( -0.280 -0.379 0.728) 0.867 6.649 ( -0.775 0.376 0.996) 1.317 6.665 ( -0.305 -1.049 0.661) 1.277 6.731 ( 1.341 -0.162 -1.801) 2.251 6.733 ( 1.395 -0.364 -1.958) 2.431 7.082 ( -0.369 1.013 0.732) 1.303 7.100 ( -0.122 -0.915 0.344) 0.985 7.126 ( 0.114 0.390 -0.469) 0.621 7.134 ( 0.263 -0.394 -0.684) 0.832 7.300 ( 0.459 0.360 0.201) 0.617 7.315 ( 0.549 -1.033 -0.036) 1.170 7.330 ( 0.911 -0.202 -0.123) 0.941 7.336 ( 0.337 -0.952 -0.057) 1.012 7.412 ( -0.780 0.871 0.415) 1.240 7.440 ( -0.636 -2.091 0.670) 2.286 7.461 ( -0.609 0.298 -0.096) 0.685 7.472 ( 0.042 -0.703 -0.072) 0.708 7.689 ( -0.763 0.035 0.254) 0.805 7.693 ( -0.481 -0.331 0.615) 0.848 7.746 ( 1.396 0.690 -1.898) 2.455 7.757 ( 1.026 -0.438 -1.736) 2.063 7.860 ( -1.774 0.349 1.218) 2.180 7.865 ( -1.498 -0.246 1.029) 1.834 8.002 ( 0.687 0.396 -0.146) 0.806 8.012 ( 0.417 -0.547 -0.329) 0.762======================= Grid point 53 (31/44) =======================q-point: (-0.40 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( -1.464 5.016 1.482) 5.431 0.680 ( 1.522 0.502 1.684) 2.324 0.736 ( -0.788 4.504 1.454) 4.798 0.777 ( 0.342 3.868 -2.269) 4.498 0.795 ( 4.081 1.719 -0.668) 4.478 0.823 ( -0.550 -3.028 -3.153) 4.406 0.904 ( 1.127 3.189 1.431) 3.673 0.930 ( 2.188 2.242 1.385) 3.425 0.956 ( 1.128 0.872 1.278) 1.915 0.970 ( 2.453 2.180 -0.286) 3.295 0.977 ( 2.180 -2.171 2.386) 3.894 1.031 ( -0.144 -2.596 -2.788) 3.812 1.058 ( -0.005 0.377 1.097) 1.160 1.070 ( 0.293 -0.577 -0.046) 0.649 1.154 ( -1.675 0.595 2.781) 3.301 1.198 ( -1.671 -2.314 3.554) 4.558 1.237 ( -0.066 -0.306 -2.274) 2.296 1.253 ( 0.557 -1.267 -3.530) 3.791 1.290 ( -0.326 1.403 -0.857) 1.676 1.300 ( -0.527 -0.203 -0.137) 0.581 1.330 ( 0.512 1.520 -0.366) 1.646 1.339 ( 1.462 0.785 -0.623) 1.773 1.403 ( 0.722 -0.057 0.942) 1.188 1.414 ( 0.816 -0.992 -0.487) 1.374 1.490 ( -3.117 1.529 -1.007) 3.615 1.504 ( -0.859 1.167 3.121) 3.440 1.538 ( -2.262 -1.056 0.819) 2.627 1.560 ( 1.611 0.472 0.720) 1.826 1.591 ( -0.286 -3.693 1.230) 3.903 1.620 ( 1.941 -2.872 0.245) 3.475 1.656 ( 0.394 -0.303 -1.766) 1.835 1.672 ( 1.420 -2.712 -0.667) 3.133 1.730 ( -1.284 1.615 -1.827) 2.756 1.762 ( -1.064 -2.023 -2.116) 3.114 1.793 ( 0.256 0.448 -0.969) 1.098 1.817 ( 0.299 -1.653 -1.739) 2.418 2.100 ( -3.732 1.580 3.047) 5.070 2.113 ( -4.648 0.324 2.657) 5.363 2.138 ( -1.101 1.536 -1.230) 2.255 2.146 ( -0.003 1.094 -0.246) 1.121 2.199 ( 1.351 1.639 1.966) 2.894 2.218 ( -0.666 1.315 1.487) 2.094 2.241 ( 3.219 0.402 0.383) 3.266 2.268 ( 1.455 -0.349 -1.366) 2.026 2.348 ( 3.106 1.712 -0.069) 3.548 2.368 ( 2.624 -0.933 -1.080) 2.988 2.392 ( 1.467 0.971 -3.298) 3.738 2.398 ( 1.610 -0.686 -3.497) 3.911 2.444 ( -1.201 0.253 1.303) 1.789 2.477 ( -1.467 -2.833 1.017) 3.348 2.527 ( 0.988 0.745 -1.244) 1.755 2.560 ( 2.456 -1.780 -0.913) 3.167 2.605 ( -2.162 1.132 0.947) 2.618 2.623 ( -0.098 1.548 0.572) 1.653 2.655 ( 1.366 -0.237 2.793) 3.118 2.670 ( -1.320 -2.153 0.396) 2.556 2.752 ( -1.470 0.496 0.784) 1.738 2.756 ( -0.348 0.313 -0.237) 0.524 2.784 ( 0.180 0.281 0.865) 0.927 2.791 ( 0.696 -0.286 -0.573) 0.946 2.828 ( -1.758 1.391 -0.357) 2.270 2.850 ( -2.645 -1.093 1.142) 3.081 2.886 ( 1.272 0.636 -0.410) 1.480 2.906 ( 1.453 -0.967 0.099) 1.748 2.928 ( 0.053 0.748 1.525) 1.699 2.946 ( 1.150 -0.892 1.177) 1.872 3.039 ( -0.804 1.062 -0.193) 1.346 3.067 ( -1.001 -1.674 -1.314) 2.352 3.147 ( -0.559 0.131 -0.537) 0.786 3.160 ( -1.281 -0.885 -2.407) 2.866 3.207 ( -1.017 0.827 0.430) 1.379 3.221 ( 0.570 -0.550 0.308) 0.850 3.262 ( 0.355 -0.605 -0.047) 0.703 3.263 ( 0.999 -0.404 0.452) 1.169 3.304 ( -0.539 1.193 1.010) 1.654 3.315 ( 0.300 0.228 0.526) 0.647 3.331 ( -1.223 2.175 1.709) 3.025 3.389 ( -0.160 -2.391 1.376) 2.764 3.424 ( 0.142 1.727 0.327) 1.763 3.472 ( -1.026 -1.806 -0.415) 2.118 3.487 ( -0.094 0.828 -1.801) 1.985 3.489 ( 1.052 0.655 -0.695) 1.421 3.505 ( 0.696 0.042 -0.542) 0.883 3.520 ( 0.284 -1.166 -1.846) 2.202 3.615 ( -0.649 1.056 1.759) 2.151 3.642 ( 0.034 -1.450 0.661) 1.594 3.737 ( 0.925 1.906 0.267) 2.135 3.759 ( 0.052 -0.286 1.161) 1.197 3.780 ( 0.090 2.171 -3.228) 3.891 3.816 ( 0.438 -1.026 -2.734) 2.953 3.843 ( -0.258 -0.543 -0.143) 0.618 3.852 ( -0.260 -0.959 -0.911) 1.348 3.991 ( -1.365 1.116 2.105) 2.746 4.005 ( -1.184 -0.325 1.091) 1.643 4.065 ( 0.593 0.779 0.890) 1.323 4.075 ( 0.987 -0.261 0.522) 1.147 4.254 ( -0.549 0.560 0.068) 0.787 4.265 ( 0.092 -0.486 0.558) 0.746 4.283 ( 0.946 0.198 0.490) 1.084 4.287 ( 0.629 -0.272 1.037) 1.242 4.305 ( -1.098 0.338 -1.816) 2.149 4.314 ( -0.862 -0.387 -1.752) 1.991 4.464 ( 0.000 0.345 0.061) 0.351 4.471 ( -0.259 -0.494 -0.733) 0.922 4.575 ( 0.025 -0.006 0.224) 0.225 4.575 ( 0.309 -0.065 0.333) 0.459 4.674 ( -0.043 -0.091 0.011) 0.102 4.678 ( 0.304 -0.479 0.031) 0.568 5.765 ( -1.765 -0.074 2.187) 2.811 5.773 ( -1.777 -0.898 1.980) 2.808 5.869 ( 2.097 0.181 -2.338) 3.146 5.885 ( 1.904 -1.607 -2.854) 3.789 6.151 ( -1.117 0.525 1.131) 1.674 6.163 ( -0.506 -0.605 0.635) 1.013 6.270 ( 0.500 0.656 -0.614) 1.028 6.281 ( 1.480 -0.468 -0.673) 1.692 6.460 ( -0.505 0.289 0.827) 1.012 6.469 ( -0.565 -0.583 0.482) 0.944 6.603 ( -0.371 1.296 1.079) 1.727 6.616 ( -0.054 -0.158 0.547) 0.572 6.647 ( -1.002 0.509 1.078) 1.557 6.663 ( -0.837 -0.939 0.658) 1.419 6.729 ( 1.185 -0.159 -1.868) 2.218 6.732 ( 1.455 -0.406 -1.947) 2.464 7.086 ( -0.392 0.822 1.019) 1.367 7.100 ( -0.446 -0.523 0.350) 0.771 7.120 ( 0.135 0.323 -0.652) 0.740 7.128 ( 0.194 -0.409 -0.833) 0.948 7.301 ( -0.770 -0.212 0.397) 0.891 7.304 ( -1.230 -0.376 -0.170) 1.297 7.330 ( -0.707 -0.327 -0.140) 0.791 7.336 ( -0.151 -0.832 -0.068) 0.848 7.432 ( 0.956 0.618 0.846) 1.419 7.450 ( 0.405 0.282 -0.618) 0.791 7.453 ( 0.626 -1.211 0.965) 1.671 7.472 ( 0.431 -1.418 -0.219) 1.498 7.673 ( -0.941 0.436 0.154) 1.049 7.684 ( -0.709 -0.781 0.090) 1.059 7.760 ( 2.443 0.281 -1.537) 2.900 7.764 ( 2.106 -0.212 -1.740) 2.740 7.855 ( -0.781 0.565 1.297) 1.616 7.862 ( -0.518 -0.125 1.131) 1.250 8.003 ( -0.327 0.273 -0.087) 0.435 8.011 ( 0.072 -0.431 -0.373) 0.574======================= Grid point 54 (32/44) =======================q-point: (-0.20 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -0.241 8.191 0.026) 8.194 0.689 ( -0.552 5.032 0.802) 5.126 0.735 ( -0.485 -0.493 0.380) 0.789 0.754 ( -0.379 -2.401 -3.099) 3.939 0.804 ( 3.324 5.348 0.405) 6.310 0.865 ( 3.145 -0.038 -0.578) 3.198 0.933 ( -0.099 0.477 -0.709) 0.860 0.949 ( 0.217 1.200 -1.423) 1.874 0.976 ( 3.480 2.411 -1.989) 4.677 1.030 ( 0.737 -1.184 0.149) 1.402 1.041 ( 2.392 2.864 0.019) 3.732 1.044 ( 4.896 1.354 1.439) 5.280 1.086 ( 2.130 0.513 0.597) 2.271 1.121 ( 2.958 -1.121 0.922) 3.295 1.182 ( -0.600 0.116 2.055) 2.144 1.204 ( 0.180 -0.689 -0.892) 1.142 1.219 ( -0.846 -1.690 0.183) 1.899 1.231 ( 0.094 -2.560 3.877) 4.647 1.254 ( -1.530 1.301 -0.970) 2.231 1.275 ( -1.639 -0.906 -0.546) 1.951 1.319 ( 0.159 0.038 -1.657) 1.665 1.326 ( -2.061 -0.343 -1.798) 2.757 1.416 ( 2.656 1.743 -2.280) 3.910 1.431 ( -2.451 1.281 0.836) 2.889 1.449 ( 0.424 -0.748 0.455) 0.973 1.473 ( -2.453 -3.044 -0.857) 4.002 1.540 ( -1.695 0.448 3.149) 3.605 1.578 ( 0.453 -2.063 -1.623) 2.664 1.600 ( -0.873 0.029 1.838) 2.035 1.615 ( -0.679 -0.657 -0.542) 1.089 1.650 ( -0.926 -0.257 1.424) 1.719 1.674 ( -0.948 -1.903 0.861) 2.294 1.730 ( 3.717 0.150 -1.026) 3.859 1.760 ( 1.473 -2.863 -0.090) 3.221 1.777 ( -0.279 -0.233 -1.536) 1.579 1.792 ( -0.388 -1.216 -2.225) 2.565 2.048 ( -2.951 2.099 -0.196) 3.626 2.071 ( -4.113 -0.200 1.751) 4.475 2.117 ( -0.397 1.503 0.304) 1.584 2.131 ( -1.217 -0.134 1.284) 1.774 2.205 ( -1.200 3.202 1.235) 3.636 2.246 ( 1.843 0.610 1.317) 2.346 2.277 ( 0.040 2.949 -0.417) 2.979 2.341 ( 2.522 -2.095 0.732) 3.360 2.364 ( 2.054 0.347 -2.526) 3.274 2.377 ( 0.250 -1.491 -2.207) 2.675 2.404 ( 2.053 1.214 -0.503) 2.438 2.416 ( 3.352 0.241 0.622) 3.418 2.462 ( 2.257 0.889 -0.599) 2.499 2.490 ( 1.484 -0.851 1.178) 2.077 2.532 ( 3.351 -1.867 -1.061) 3.980 2.552 ( -0.060 -2.623 -1.254) 2.908 2.604 ( -0.449 1.316 0.042) 1.391 2.640 ( 0.864 -0.847 0.443) 1.288 2.667 ( -0.397 2.897 0.618) 2.989 2.706 ( -0.923 -0.685 2.420) 2.680 2.715 ( -3.996 0.011 2.013) 4.474 2.752 ( -0.879 -2.356 -0.105) 2.516 2.788 ( -0.016 1.130 0.691) 1.324 2.792 ( -1.281 0.379 1.029) 1.686 2.803 ( 0.158 1.553 -0.869) 1.786 2.835 ( -0.037 -1.075 0.819) 1.352 2.889 ( 0.317 0.272 -0.669) 0.789 2.909 ( -0.445 -0.944 -0.252) 1.074 2.936 ( 0.845 0.370 -1.748) 1.976 2.967 ( 0.794 -1.838 -0.845) 2.174 3.042 ( -0.479 0.932 0.666) 1.242 3.048 ( -0.142 0.355 1.853) 1.892 3.086 ( -3.804 0.199 -1.967) 4.287 3.105 ( -2.862 -1.421 -0.668) 3.265 3.200 ( -0.027 1.137 -1.022) 1.529 3.227 ( 0.397 -1.399 -1.138) 1.847 3.256 ( 0.304 0.271 -0.529) 0.667 3.273 ( 0.357 -1.013 -0.135) 1.083 3.310 ( -0.098 1.479 -0.063) 1.484 3.327 ( 0.298 0.273 -0.118) 0.421 3.342 ( -1.220 2.335 3.063) 4.040 3.399 ( -0.561 -2.608 1.614) 3.118 3.418 ( -1.530 0.157 -1.028) 1.850 3.427 ( -1.298 0.081 -1.710) 2.149 3.447 ( 1.100 1.158 -2.184) 2.706 3.483 ( 1.035 -1.598 -1.162) 2.230 3.533 ( 1.242 0.394 0.300) 1.337 3.542 ( 0.169 -0.368 0.483) 0.630 3.623 ( -0.510 1.807 2.074) 2.798 3.651 ( 0.075 -0.835 0.791) 1.153 3.747 ( 0.601 2.311 -2.514) 3.467 3.764 ( 0.638 1.739 1.346) 2.290 3.784 ( 0.200 -0.174 1.411) 1.435 3.797 ( 1.236 -1.508 -1.951) 2.759 3.839 ( -0.196 -0.664 0.675) 0.967 3.847 ( -0.226 -1.149 0.731) 1.381 3.972 ( -1.809 0.974 0.224) 2.067 3.989 ( -1.604 -0.460 0.289) 1.693 4.094 ( 1.019 1.286 0.311) 1.669 4.106 ( 1.501 0.014 -0.140) 1.508 4.227 ( -1.106 1.351 -0.647) 1.862 4.248 ( -0.991 -0.839 -0.743) 1.496 4.283 ( -0.158 -0.087 0.115) 0.214 4.285 ( -0.131 -0.404 -0.176) 0.459 4.307 ( 0.067 0.518 0.755) 0.918 4.325 ( 0.654 -1.264 0.939) 1.705 4.457 ( -0.374 0.098 -0.378) 0.541 4.461 ( -0.336 -0.241 0.104) 0.426 4.576 ( 0.152 0.173 -0.133) 0.265 4.580 ( 0.087 -0.266 -0.097) 0.296 4.675 ( 0.191 0.227 -0.008) 0.297 4.684 ( 0.280 -0.598 -0.072) 0.664 5.762 ( -1.803 -0.281 2.246) 2.894 5.767 ( -1.853 -0.726 1.984) 2.810 5.873 ( 1.941 -0.218 -2.595) 3.248 5.880 ( 1.836 -1.060 -2.895) 3.588 6.148 ( -1.012 0.680 1.308) 1.787 6.164 ( -0.450 -0.780 0.771) 1.186 6.274 ( 0.839 1.107 -0.650) 1.533 6.297 ( 1.602 -1.376 -1.022) 2.346 6.463 ( -0.556 0.085 1.110) 1.244 6.468 ( -0.394 -0.347 0.765) 0.928 6.604 ( -0.252 1.375 0.040) 1.398 6.622 ( -0.270 -0.457 0.317) 0.618 6.645 ( -0.999 0.297 1.290) 1.659 6.657 ( -0.889 -0.770 0.774) 1.408 6.725 ( 1.064 0.234 -1.738) 2.052 6.732 ( 1.378 -0.469 -1.877) 2.376 7.090 ( -0.713 0.546 0.750) 1.170 7.096 ( -0.402 0.046 0.491) 0.636 7.117 ( 0.272 0.177 -0.538) 0.629 7.124 ( 0.264 -0.596 -0.178) 0.675 7.287 ( -0.639 -0.238 0.135) 0.695 7.291 ( -0.933 -0.711 0.465) 1.262 7.313 ( -1.066 -0.038 -0.045) 1.068 7.325 ( -0.901 -1.273 0.009) 1.559 7.443 ( 0.926 0.906 -0.558) 1.410 7.456 ( 0.326 -0.599 -0.106) 0.691 7.468 ( 0.123 0.255 0.267) 0.389 7.488 ( 1.215 -1.645 -0.258) 2.061 7.670 ( -0.337 0.581 0.806) 1.049 7.681 ( -0.347 -0.669 0.707) 1.034 7.772 ( 1.822 0.184 -2.352) 2.981 7.779 ( 2.328 -0.467 -1.979) 3.091 7.864 ( -0.407 0.607 1.791) 1.934 7.875 ( 0.041 -0.484 1.676) 1.745 7.994 ( -0.519 0.608 -0.186) 0.821 8.004 ( -0.216 -0.429 -0.558) 0.736======================= Grid point 70 (33/44) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.413 ( -4.551 0.000 -6.557) 7.981 0.413 ( 4.551 0.000 6.557) 7.981 0.470 ( -5.026 0.000 -4.679) 6.866 0.470 ( 5.026 0.000 4.679) 6.866 0.757 ( 3.890 0.000 -4.373) 5.853 0.757 ( -3.890 0.000 4.373) 5.853 0.862 ( -3.444 0.000 -6.424) 7.288 0.862 ( 3.444 0.000 6.424) 7.288 0.917 ( -1.429 0.000 -2.941) 3.270 0.917 ( 1.429 0.000 2.941) 3.270 0.951 ( -0.167 0.000 -4.071) 4.074 0.951 ( 0.167 0.000 4.071) 4.074 1.006 ( -1.945 0.000 -0.510) 2.011 1.006 ( 1.945 0.000 0.510) 2.011 1.222 ( -0.877 0.000 0.226) 0.905 1.222 ( 0.877 0.000 -0.226) 0.905 1.279 ( 1.221 0.000 -0.726) 1.421 1.279 ( -1.221 0.000 0.726) 1.421 1.323 ( 1.084 0.000 -1.729) 2.041 1.323 ( -1.084 0.000 1.729) 2.041 1.364 ( 2.501 0.000 -3.037) 3.934 1.364 ( -2.501 0.000 3.037) 3.934 1.413 ( 0.262 0.000 -1.531) 1.553 1.413 ( -0.262 0.000 1.531) 1.553 1.501 ( -2.736 0.000 -2.159) 3.485 1.501 ( 2.736 0.000 2.159) 3.485 1.562 ( 1.384 0.000 -3.037) 3.338 1.562 ( -1.384 0.000 3.037) 3.338 1.682 ( -0.233 0.000 -1.269) 1.291 1.682 ( 0.233 0.000 1.269) 1.291 1.751 ( -1.988 0.000 -1.864) 2.725 1.751 ( 1.988 0.000 1.864) 2.725 1.861 ( 0.721 0.000 -1.070) 1.290 1.861 ( -0.721 0.000 1.070) 1.290 1.879 ( 1.275 0.000 -3.921) 4.123 1.879 ( -1.275 0.000 3.921) 4.123 2.016 ( -0.148 0.000 -0.071) 0.165 2.016 ( 0.148 0.000 0.071) 0.165 2.060 ( -1.658 0.000 0.426) 1.711 2.060 ( 1.658 0.000 -0.426) 1.711 2.145 ( 2.600 0.000 -5.002) 5.637 2.145 ( -2.600 0.000 5.002) 5.637 2.250 ( 1.029 0.000 -0.693) 1.241 2.250 ( -1.029 0.000 0.693) 1.241 2.262 ( -0.825 0.000 -0.955) 1.262 2.262 ( 0.825 0.000 0.955) 1.262 2.419 ( -0.213 0.000 -3.186) 3.193 2.419 ( 0.213 0.000 3.186) 3.193 2.547 ( -0.045 0.000 -0.009) 0.046 2.547 ( 0.045 0.000 0.009) 0.046 2.603 ( -4.654 0.000 -0.067) 4.654 2.603 ( 4.654 0.000 0.067) 4.654 2.643 ( -2.312 0.000 0.706) 2.418 2.643 ( 2.312 0.000 -0.706) 2.418 2.687 ( -0.780 0.000 -3.326) 3.416 2.687 ( 0.780 0.000 3.326) 3.416 2.720 ( -1.611 0.000 -0.041) 1.612 2.720 ( 1.611 0.000 0.041) 1.612 2.790 ( -0.489 0.000 -1.461) 1.541 2.790 ( 0.489 0.000 1.461) 1.541 2.831 ( 0.554 0.000 -1.096) 1.228 2.831 ( -0.554 0.000 1.096) 1.228 2.866 ( -4.712 0.000 -0.926) 4.803 2.866 ( 4.712 0.000 0.926) 4.803 2.907 ( 0.657 0.000 -3.086) 3.155 2.907 ( -0.657 0.000 3.086) 3.155 3.036 ( -0.938 0.000 -1.159) 1.491 3.036 ( 0.938 0.000 1.159) 1.491 3.173 ( 0.135 0.000 -0.349) 0.375 3.173 ( -0.135 0.000 0.349) 0.375 3.209 ( -0.967 0.000 -0.914) 1.331 3.209 ( 0.967 0.000 0.914) 1.331 3.243 ( -0.505 0.000 -0.322) 0.599 3.243 ( 0.505 0.000 0.322) 0.599 3.336 ( -3.032 0.000 -4.586) 5.498 3.336 ( 3.032 0.000 4.586) 5.498 3.344 ( 0.428 0.000 -0.869) 0.968 3.344 ( -0.428 0.000 0.869) 0.968 3.407 ( 0.606 0.000 -2.890) 2.953 3.407 ( -0.606 0.000 2.890) 2.953 3.470 ( -0.161 0.000 -1.556) 1.564 3.470 ( 0.161 0.000 1.556) 1.564 3.521 ( -0.861 0.000 -3.811) 3.907 3.521 ( 0.861 0.000 3.811) 3.907 3.603 ( -1.576 0.000 0.287) 1.602 3.603 ( 1.576 0.000 -0.287) 1.602 3.717 ( -2.557 0.000 -0.502) 2.606 3.717 ( 2.557 0.000 0.502) 2.606 3.832 ( -0.727 0.000 -0.219) 0.760 3.832 ( 0.727 0.000 0.219) 0.760 3.887 ( 0.335 0.000 -0.842) 0.906 3.887 ( -0.335 0.000 0.842) 0.906 3.952 ( 2.412 0.000 -1.510) 2.846 3.952 ( -2.412 0.000 1.510) 2.846 4.063 ( -0.460 0.000 -2.469) 2.511 4.063 ( 0.460 0.000 2.469) 2.511 4.210 ( -2.200 0.000 -2.939) 3.671 4.210 ( 2.200 0.000 2.939) 3.671 4.287 ( 1.111 0.000 -0.555) 1.242 4.287 ( -1.111 0.000 0.555) 1.242 4.320 ( -2.131 0.000 -0.751) 2.260 4.320 ( 2.131 0.000 0.751) 2.260 4.465 ( 1.646 0.000 -1.104) 1.982 4.465 ( -1.646 0.000 1.104) 1.982 4.592 ( 0.747 0.000 -1.839) 1.985 4.592 ( -0.747 0.000 1.839) 1.985 4.683 ( -0.308 0.000 -0.405) 0.509 4.683 ( 0.308 0.000 0.405) 0.509 5.844 ( 0.918 0.000 -2.548) 2.708 5.844 ( -0.918 0.000 2.548) 2.708 5.955 ( -6.624 0.000 -0.329) 6.632 5.955 ( 6.624 0.000 0.329) 6.632 6.169 ( 0.319 0.000 -0.483) 0.579 6.169 ( -0.319 0.000 0.483) 0.579 6.227 ( 0.274 0.000 -1.085) 1.119 6.227 ( -0.274 0.000 1.085) 1.119 6.434 ( 0.432 0.000 -1.451) 1.514 6.434 ( -0.432 0.000 1.451) 1.514 6.585 ( -2.295 0.000 -1.900) 2.979 6.585 ( 2.295 0.000 1.900) 2.979 6.693 ( 1.834 0.000 -2.625) 3.203 6.693 ( -1.834 0.000 2.625) 3.203 6.705 ( 2.322 0.000 -2.830) 3.660 6.705 ( -2.322 0.000 2.830) 3.660 7.091 ( 1.956 0.000 -1.632) 2.547 7.091 ( -1.956 0.000 1.632) 2.547 7.126 ( 1.260 0.000 -2.327) 2.646 7.126 ( -1.260 0.000 2.327) 2.646 7.332 ( -0.519 0.000 -0.228) 0.567 7.332 ( 0.519 0.000 0.228) 0.567 7.399 ( -0.142 0.000 -1.469) 1.476 7.399 ( 0.142 0.000 1.469) 1.476 7.469 ( 0.322 0.000 -0.457) 0.559 7.469 ( -0.322 0.000 0.457) 0.559 7.559 ( -3.259 0.000 -0.619) 3.317 7.559 ( 3.259 0.000 0.619) 3.317 7.666 ( -0.248 0.000 -2.216) 2.230 7.666 ( 0.248 0.000 2.216) 2.230 7.792 ( -1.603 0.000 0.208) 1.617 7.792 ( 1.603 0.000 -0.208) 1.617 7.904 ( 3.524 0.000 -2.374) 4.249 7.904 ( -3.524 0.000 2.374) 4.249 7.958 ( 2.905 0.000 -1.789) 3.412 7.958 ( -2.905 0.000 1.789) 3.412======================= Grid point 72 (34/44) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.300 ( 5.610 0.000 -9.367) 10.918 0.320 ( 0.829 0.000 -11.220) 11.250 0.601 ( -0.515 0.000 9.895) 9.908 0.610 ( -0.984 0.000 0.381) 1.055 0.670 ( 11.350 0.000 -15.110) 18.898 0.709 ( 0.602 0.000 5.541) 5.574 0.792 ( -7.509 0.000 0.338) 7.516 0.838 ( -1.899 0.000 0.712) 2.028 0.891 ( -7.284 0.000 5.464) 9.106 0.941 ( 4.051 0.000 -3.430) 5.308 0.974 ( 2.382 0.000 0.065) 2.383 0.999 ( -1.413 0.000 2.383) 2.771 1.015 ( 1.641 0.000 -0.250) 1.660 1.078 ( 1.223 0.000 1.487) 1.926 1.200 ( -3.034 0.000 1.382) 3.334 1.204 ( -0.235 0.000 -0.347) 0.419 1.278 ( -1.132 0.000 1.907) 2.217 1.301 ( 1.880 0.000 -1.793) 2.598 1.303 ( -0.239 0.000 -2.929) 2.939 1.316 ( 0.953 0.000 -2.317) 2.506 1.349 ( 0.937 0.000 -2.631) 2.793 1.370 ( 1.421 0.000 -0.577) 1.534 1.402 ( -1.485 0.000 2.445) 2.861 1.411 ( -1.947 0.000 1.764) 2.628 1.462 ( -1.763 0.000 1.952) 2.630 1.515 ( -2.589 0.000 -1.248) 2.874 1.563 ( 0.228 0.000 -1.177) 1.199 1.573 ( -1.989 0.000 1.509) 2.497 1.680 ( -0.113 0.000 3.620) 3.622 1.686 ( -1.203 0.000 3.441) 3.645 1.703 ( -0.262 0.000 -1.730) 1.749 1.787 ( 0.390 0.000 0.142) 0.415 1.838 ( 1.735 0.000 -3.060) 3.517 1.849 ( -1.017 0.000 1.230) 1.596 1.916 ( 3.659 0.000 -0.003) 3.659 1.934 ( -0.698 0.000 4.612) 4.664 2.010 ( -0.786 0.000 -0.461) 0.911 2.017 ( 0.745 0.000 -0.078) 0.749 2.063 ( 0.997 0.000 0.735) 1.239 2.087 ( 1.740 0.000 -1.023) 2.018 2.107 ( 0.944 0.000 -5.246) 5.331 2.148 ( -2.001 0.000 2.312) 3.058 2.203 ( -2.555 0.000 -2.375) 3.488 2.226 ( -2.346 0.000 0.116) 2.349 2.238 ( -0.705 0.000 -0.170) 0.725 2.312 ( 2.340 0.000 1.559) 2.812 2.377 ( -1.316 0.000 -1.800) 2.230 2.462 ( 0.100 0.000 3.872) 3.873 2.513 ( -3.087 0.000 0.544) 3.135 2.528 ( -2.554 0.000 0.515) 2.605 2.579 ( 0.162 0.000 1.407) 1.417 2.601 ( -4.258 0.000 2.543) 4.960 2.624 ( 0.932 0.000 -4.442) 4.539 2.640 ( -2.130 0.000 -0.057) 2.131 2.664 ( 0.618 0.000 -1.029) 1.200 2.704 ( -1.352 0.000 1.113) 1.751 2.727 ( 4.033 0.000 -2.251) 4.618 2.751 ( -0.018 0.000 0.040) 0.044 2.770 ( -4.275 0.000 -1.026) 4.396 2.782 ( -0.317 0.000 0.609) 0.687 2.836 ( 0.022 0.000 1.164) 1.164 2.844 ( -0.375 0.000 -1.168) 1.226 2.855 ( 2.766 0.000 2.095) 3.470 2.881 ( 1.815 0.000 -0.880) 2.017 2.941 ( 0.579 0.000 3.806) 3.850 2.950 ( 3.141 0.000 2.073) 3.763 3.022 ( 0.405 0.000 0.022) 0.405 3.059 ( 1.530 0.000 -1.602) 2.215 3.146 ( -0.804 0.000 -2.850) 2.961 3.163 ( -0.360 0.000 -0.238) 0.432 3.175 ( -1.245 0.000 -1.753) 2.151 3.200 ( -0.058 0.000 -1.115) 1.117 3.259 ( 0.866 0.000 -0.538) 1.020 3.267 ( 2.244 0.000 0.324) 2.267 3.269 ( -0.240 0.000 0.134) 0.275 3.334 ( -1.737 0.000 -1.596) 2.359 3.365 ( 1.923 0.000 1.369) 2.361 3.388 ( 0.585 0.000 -0.215) 0.623 3.415 ( -0.674 0.000 -0.557) 0.874 3.429 ( 1.327 0.000 0.322) 1.365 3.458 ( 1.063 0.000 2.219) 2.461 3.469 ( 0.214 0.000 -0.392) 0.447 3.509 ( -0.269 0.000 2.680) 2.694 3.576 ( -0.025 0.000 2.181) 2.181 3.611 ( 1.225 0.000 0.321) 1.267 3.649 ( 2.361 0.000 1.236) 2.666 3.660 ( -2.704 0.000 -0.838) 2.831 3.737 ( 0.753 0.000 -2.030) 2.166 3.795 ( -1.455 0.000 -2.477) 2.873 3.825 ( -0.015 0.000 -1.951) 1.951 3.850 ( -0.968 0.000 -2.988) 3.141 3.871 ( -1.050 0.000 -0.583) 1.201 3.955 ( -1.025 0.000 2.811) 2.992 3.998 ( 2.068 0.000 1.767) 2.720 4.037 ( -0.531 0.000 -1.439) 1.534 4.102 ( -0.463 0.000 2.613) 2.653 4.181 ( 1.966 0.000 0.218) 1.978 4.270 ( 0.879 0.000 1.185) 1.476 4.276 ( -0.457 0.000 0.452) 0.643 4.290 ( -1.193 0.000 0.400) 1.258 4.297 ( 1.685 0.000 -0.934) 1.927 4.362 ( 1.662 0.000 0.255) 1.681 4.449 ( -1.534 0.000 0.649) 1.666 4.475 ( 1.476 0.000 -1.654) 2.217 4.579 ( 0.742 0.000 -1.798) 1.945 4.595 ( -0.592 0.000 0.745) 0.951 4.675 ( -0.127 0.000 -0.081) 0.151 4.691 ( 0.105 0.000 0.257) 0.278 5.834 ( 1.315 0.000 -2.018) 2.409 5.864 ( -0.982 0.000 2.876) 3.039 5.879 ( -4.052 0.000 2.642) 4.837 6.057 ( 1.526 0.000 2.156) 2.641 6.166 ( -0.968 0.000 0.319) 1.019 6.168 ( 0.336 0.000 -0.587) 0.676 6.220 ( 0.371 0.000 -0.861) 0.938 6.225 ( -1.198 0.000 0.307) 1.237 6.432 ( 1.127 0.000 -1.152) 1.611 6.449 ( -0.189 0.000 1.397) 1.410 6.550 ( -0.254 0.000 -0.441) 0.508 6.658 ( -0.145 0.000 4.124) 4.126 6.692 ( -2.437 0.000 1.443) 2.832 6.696 ( 2.384 0.000 -2.717) 3.615 6.704 ( 2.281 0.000 -3.183) 3.916 6.709 ( 0.356 0.000 2.794) 2.817 7.083 ( -1.665 0.000 2.000) 2.603 7.100 ( 1.464 0.000 -1.898) 2.397 7.118 ( 1.464 0.000 -2.630) 3.010 7.131 ( -1.371 0.000 1.971) 2.401 7.320 ( -0.510 0.000 -0.293) 0.588 7.345 ( 0.732 0.000 0.126) 0.743 7.373 ( -0.820 0.000 -1.123) 1.390 7.406 ( -0.479 0.000 0.148) 0.502 7.444 ( -2.721 0.000 -1.547) 3.130 7.464 ( -0.091 0.000 -0.602) 0.609 7.490 ( -0.343 0.000 -1.029) 1.084 7.586 ( 0.271 0.000 -0.441) 0.517 7.644 ( 0.814 0.000 -1.571) 1.770 7.702 ( 0.794 0.000 2.421) 2.548 7.754 ( -3.168 0.000 0.084) 3.169 7.802 ( -0.126 0.000 0.077) 0.147 7.851 ( -2.854 0.000 0.403) 2.882 7.900 ( 1.528 0.000 -3.547) 3.862 7.963 ( -0.142 0.000 1.853) 1.858 7.992 ( 3.284 0.000 -2.563) 4.166======================= Grid point 73 (35/44) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.320 ( 10.419 0.000 -2.627) 10.745 0.376 ( 10.341 0.000 -2.548) 10.650 0.499 ( -7.541 0.000 -0.889) 7.593 0.567 ( -6.348 0.000 -4.767) 7.939 0.698 ( -0.373 0.000 5.705) 5.717 0.793 ( -4.708 0.000 0.293) 4.717 0.821 ( 8.631 0.000 -0.159) 8.633 0.857 ( 3.131 0.000 0.105) 3.133 0.861 ( 0.919 0.000 2.740) 2.890 0.959 ( -4.396 0.000 -0.449) 4.419 0.971 ( 3.723 0.000 -2.938) 4.743 0.991 ( -2.248 0.000 -0.249) 2.262 1.009 ( -1.497 0.000 2.151) 2.621 1.022 ( -3.624 0.000 -0.732) 3.697 1.208 ( 0.810 0.000 0.623) 1.022 1.214 ( 0.477 0.000 0.630) 0.790 1.258 ( -0.959 0.000 -1.222) 1.553 1.263 ( 0.591 0.000 -4.070) 4.112 1.301 ( 0.850 0.000 1.913) 2.094 1.313 ( -0.965 0.000 0.909) 1.325 1.343 ( 0.840 0.000 -0.827) 1.179 1.378 ( -1.008 0.000 -0.461) 1.109 1.406 ( -1.517 0.000 0.569) 1.620 1.409 ( -0.057 0.000 -0.066) 0.087 1.468 ( 2.492 0.000 -3.148) 4.015 1.472 ( -2.148 0.000 3.891) 4.445 1.529 ( -0.874 0.000 -1.216) 1.497 1.536 ( -2.442 0.000 0.038) 2.443 1.705 ( 2.503 0.000 -1.444) 2.889 1.722 ( -1.237 0.000 2.406) 2.706 1.742 ( -0.247 0.000 5.969) 5.974 1.795 ( 0.141 0.000 0.541) 0.559 1.820 ( 2.450 0.000 -4.572) 5.187 1.849 ( -1.725 0.000 1.086) 2.038 1.956 ( -0.783 0.000 1.823) 1.984 1.966 ( 1.298 0.000 -1.028) 1.656 1.993 ( 1.643 0.000 0.123) 1.647 2.037 ( -0.454 0.000 2.669) 2.707 2.061 ( -3.266 0.000 -1.179) 3.473 2.065 ( 0.471 0.000 -2.517) 2.560 2.108 ( 1.441 0.000 1.171) 1.856 2.137 ( 0.337 0.000 -2.821) 2.841 2.154 ( 0.052 0.000 -0.741) 0.743 2.166 ( -2.870 0.000 0.258) 2.882 2.266 ( 2.707 0.000 0.130) 2.710 2.317 ( -3.841 0.000 0.954) 3.957 2.400 ( 5.312 0.000 0.417) 5.328 2.480 ( -4.667 0.000 1.435) 4.882 2.503 ( -0.229 0.000 2.013) 2.026 2.517 ( -0.083 0.000 3.162) 3.164 2.572 ( -2.269 0.000 1.915) 2.969 2.576 ( -1.582 0.000 -2.227) 2.732 2.607 ( 3.011 0.000 -3.550) 4.655 2.609 ( 0.572 0.000 1.147) 1.282 2.648 ( -0.872 0.000 -0.602) 1.060 2.677 ( -3.021 0.000 -1.987) 3.615 2.707 ( -0.983 0.000 1.455) 1.756 2.736 ( 1.159 0.000 -4.079) 4.240 2.751 ( -1.111 0.000 2.901) 3.106 2.779 ( 0.026 0.000 -2.378) 2.379 2.813 ( 2.092 0.000 -2.241) 3.065 2.832 ( -2.154 0.000 1.442) 2.592 2.921 ( 1.772 0.000 0.943) 2.007 2.922 ( 0.729 0.000 1.463) 1.634 3.003 ( 0.502 0.000 4.461) 4.489 3.011 ( 0.164 0.000 3.922) 3.925 3.049 ( 1.311 0.000 -3.547) 3.782 3.054 ( 2.064 0.000 -1.663) 2.650 3.095 ( 0.289 0.000 -1.491) 1.518 3.141 ( -2.763 0.000 -0.054) 2.764 3.160 ( 1.159 0.000 0.202) 1.176 3.197 ( -0.139 0.000 -1.534) 1.540 3.273 ( 1.500 0.000 -0.223) 1.517 3.282 ( -0.353 0.000 -1.250) 1.299 3.286 ( 0.417 0.000 0.435) 0.602 3.295 ( 0.242 0.000 0.024) 0.244 3.382 ( -0.503 0.000 -0.494) 0.705 3.385 ( -0.439 0.000 -0.932) 1.031 3.442 ( 3.000 0.000 3.404) 4.537 3.448 ( 1.686 0.000 0.981) 1.951 3.479 ( -0.434 0.000 0.473) 0.642 3.505 ( 0.493 0.000 -0.045) 0.495 3.528 ( -0.724 0.000 1.040) 1.268 3.551 ( -2.424 0.000 -1.743) 2.985 3.621 ( -0.803 0.000 3.558) 3.647 3.659 ( 1.809 0.000 0.488) 1.874 3.675 ( -0.122 0.000 -2.309) 2.312 3.694 ( -0.246 0.000 -3.664) 3.672 3.758 ( -0.965 0.000 1.454) 1.745 3.790 ( -0.651 0.000 -2.734) 2.810 3.830 ( 0.691 0.000 -0.158) 0.709 3.848 ( -0.796 0.000 -0.759) 1.100 3.974 ( -0.573 0.000 2.412) 2.479 3.994 ( 0.024 0.000 -1.926) 1.927 4.061 ( 2.117 0.000 0.522) 2.181 4.098 ( -2.187 0.000 0.608) 2.270 4.238 ( 1.732 0.000 2.001) 2.647 4.269 ( -0.390 0.000 -0.815) 0.904 4.288 ( -0.214 0.000 1.521) 1.536 4.298 ( 1.048 0.000 2.280) 2.509 4.306 ( 0.604 0.000 -1.627) 1.735 4.354 ( -1.230 0.000 -2.359) 2.661 4.448 ( -0.343 0.000 2.076) 2.105 4.469 ( 0.724 0.000 -2.271) 2.384 4.583 ( 1.522 0.000 -0.850) 1.743 4.594 ( -0.983 0.000 0.942) 1.361 4.679 ( 0.319 0.000 0.380) 0.497 4.689 ( -0.326 0.000 -0.221) 0.394 5.838 ( 1.759 0.000 -1.645) 2.408 5.850 ( -2.184 0.000 1.636) 2.729 5.911 ( -0.319 0.000 5.896) 5.904 6.006 ( -2.703 0.000 -5.963) 6.548 6.159 ( -0.332 0.000 0.870) 0.931 6.165 ( 0.307 0.000 -0.824) 0.880 6.217 ( -0.226 0.000 0.291) 0.368 6.218 ( 0.366 0.000 -0.565) 0.673 6.440 ( 1.305 0.000 -0.882) 1.575 6.451 ( -1.119 0.000 0.739) 1.341 6.570 ( 1.620 0.000 1.689) 2.340 6.630 ( -2.450 0.000 -2.080) 3.214 6.690 ( -2.260 0.000 3.654) 4.296 6.696 ( 2.430 0.000 -3.656) 4.390 6.711 ( 2.461 0.000 -2.145) 3.265 6.726 ( -2.012 0.000 1.830) 2.720 7.086 ( -1.279 0.000 2.392) 2.713 7.097 ( 1.136 0.000 -2.475) 2.723 7.115 ( 2.143 0.000 -1.900) 2.865 7.128 ( -1.799 0.000 1.723) 2.491 7.324 ( 0.377 0.000 0.581) 0.692 7.340 ( -0.524 0.000 -0.968) 1.101 7.373 ( 1.137 0.000 0.577) 1.275 7.403 ( -1.472 0.000 -0.528) 1.564 7.425 ( 0.982 0.000 1.668) 1.936 7.451 ( -0.381 0.000 -0.908) 0.984 7.513 ( 2.028 0.000 1.511) 2.529 7.565 ( -1.273 0.000 -1.641) 2.077 7.659 ( 2.384 0.000 -0.590) 2.456 7.701 ( -3.315 0.000 0.265) 3.326 7.747 ( 1.292 0.000 1.958) 2.346 7.786 ( -1.296 0.000 -0.892) 1.574 7.846 ( -1.005 0.000 3.445) 3.589 7.877 ( 1.402 0.000 -4.330) 4.551 7.984 ( -0.254 0.000 1.924) 1.941 7.998 ( 1.370 0.000 -2.439) 2.797======================= Grid point 76 (36/44) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 39Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.456 ( 1.070 3.696 -9.405) 10.162 0.456 ( -1.070 3.696 9.405) 10.162 0.549 ( -4.300 7.819 -9.708) 13.186 0.549 ( 4.300 7.819 9.708) 13.186 0.776 ( -1.522 1.017 -1.220) 2.200 0.776 ( 1.522 1.017 1.220) 2.200 0.854 ( -1.818 0.775 -4.483) 4.899 0.854 ( 1.818 0.775 4.483) 4.899 0.913 ( -2.096 0.877 -3.038) 3.794 0.913 ( 2.096 0.877 3.038) 3.794 0.981 ( -3.103 1.008 -1.130) 3.452 0.981 ( 3.103 1.008 1.130) 3.452 1.018 ( 1.354 1.586 -2.992) 3.647 1.018 ( -1.354 1.586 2.992) 3.647 1.205 ( 1.261 -1.132 -1.899) 2.545 1.205 ( -1.261 -1.132 1.899) 2.545 1.267 ( 0.228 -0.846 -1.051) 1.368 1.267 ( -0.228 -0.846 1.051) 1.368 1.323 ( 0.435 0.062 -1.951) 2.000 1.323 ( -0.435 0.062 1.951) 2.000 1.382 ( 0.604 -0.570 -2.727) 2.851 1.382 ( -0.604 -0.570 2.727) 2.851 1.415 ( 1.397 1.406 -5.235) 5.597 1.415 ( -1.397 1.406 5.235) 5.597 1.513 ( -1.441 0.929 -1.631) 2.367 1.513 ( 1.441 0.929 1.631) 2.367 1.577 ( 1.049 1.433 -2.703) 3.234 1.577 ( -1.049 1.433 2.703) 3.234 1.628 ( -0.914 -4.769 -1.632) 5.123 1.628 ( 0.914 -4.769 1.632) 5.123 1.732 ( -1.314 -1.789 -0.843) 2.375 1.732 ( 1.314 -1.789 0.843) 2.375 1.824 ( 0.515 -3.232 -1.362) 3.545 1.824 ( -0.515 -3.232 1.362) 3.545 1.894 ( 1.632 0.585 -3.167) 3.610 1.894 ( -1.632 0.585 3.167) 3.610 1.976 ( -1.383 -2.358 -0.731) 2.830 1.976 ( 1.383 -2.358 0.731) 2.830 2.073 ( -0.192 1.062 -1.984) 2.259 2.073 ( 0.192 1.062 1.984) 2.259 2.192 ( 2.489 3.026 -5.862) 7.051 2.192 ( -2.489 3.026 5.862) 7.051 2.249 ( 0.445 0.167 -1.372) 1.452 2.249 ( -0.445 0.167 1.372) 1.452 2.283 ( -0.311 2.613 -0.168) 2.637 2.283 ( 0.311 2.613 0.168) 2.637 2.441 ( -0.146 2.040 -2.689) 3.379 2.441 ( 0.146 2.040 2.689) 3.379 2.519 ( 0.615 -2.221 -1.831) 2.944 2.519 ( -0.615 -2.221 1.831) 2.944 2.592 ( -5.041 -0.897 0.440) 5.139 2.592 ( 5.041 -0.897 -0.440) 5.139 2.646 ( 0.886 -1.326 -2.025) 2.578 2.646 ( -0.886 -1.326 2.025) 2.578 2.687 ( -0.674 0.785 -0.874) 1.354 2.687 ( 0.674 0.785 0.874) 1.354 2.721 ( 0.769 -0.096 -0.700) 1.044 2.721 ( -0.769 -0.096 0.700) 1.044 2.802 ( 0.327 0.879 -1.112) 1.455 2.802 ( -0.327 0.879 1.112) 1.455 2.842 ( 0.872 0.916 -0.824) 1.510 2.842 ( -0.872 0.916 0.824) 1.510 2.883 ( -3.044 1.725 -2.273) 4.172 2.883 ( 3.044 1.725 2.273) 4.172 2.912 ( -0.648 0.632 -1.944) 2.145 2.912 ( 0.648 0.632 1.944) 2.145 3.012 ( 0.013 -2.101 -1.037) 2.343 3.012 ( -0.013 -2.101 1.037) 2.343 3.142 ( -1.526 -2.393 -1.875) 3.402 3.142 ( 1.526 -2.393 1.875) 3.402 3.197 ( -0.427 -0.507 -1.467) 1.610 3.197 ( 0.427 -0.507 1.467) 1.610 3.269 ( -1.483 2.023 -0.284) 2.524 3.269 ( 1.483 2.023 0.284) 2.524 3.327 ( -2.319 -1.315 -2.396) 3.584 3.327 ( 2.319 -1.315 2.396) 3.584 3.350 ( 0.040 0.364 -0.652) 0.748 3.350 ( -0.040 0.364 0.652) 0.748 3.407 ( 0.281 -0.434 -2.248) 2.307 3.407 ( -0.281 -0.434 2.248) 2.307 3.464 ( -0.672 -0.174 -1.942) 2.062 3.464 ( 0.672 -0.174 1.942) 2.062 3.529 ( -0.799 0.795 -2.321) 2.580 3.529 ( 0.799 0.795 2.321) 2.580 3.620 ( -0.141 1.707 -0.920) 1.945 3.620 ( 0.141 1.707 0.920) 1.945 3.712 ( -1.626 -0.342 -1.180) 2.038 3.712 ( 1.626 -0.342 1.180) 2.038 3.834 ( -0.463 -0.018 -0.783) 0.909 3.834 ( 0.463 -0.018 0.783) 0.909 3.883 ( -0.162 -0.194 -1.084) 1.113 3.883 ( 0.162 -0.194 1.084) 1.113 3.950 ( 1.010 -0.146 -1.568) 1.871 3.950 ( -1.010 -0.146 1.568) 1.871 4.060 ( -0.648 -0.069 -2.333) 2.422 4.060 ( 0.648 -0.069 2.333) 2.422 4.222 ( -1.664 0.987 -2.834) 3.431 4.222 ( 1.664 0.987 2.834) 3.431 4.289 ( 0.544 0.176 -0.470) 0.740 4.289 ( -0.544 0.176 0.470) 0.740 4.320 ( -1.950 -0.044 -0.906) 2.150 4.320 ( 1.950 -0.044 0.906) 2.150 4.474 ( 1.208 0.557 -1.348) 1.894 4.474 ( -1.208 0.557 1.348) 1.894 4.584 ( 0.377 -0.692 -1.406) 1.612 4.584 ( -0.377 -0.692 1.406) 1.612 4.682 ( -0.310 -0.038 -0.380) 0.492 4.682 ( 0.310 -0.038 0.380) 0.492 5.838 ( 1.055 -0.617 -2.585) 2.859 5.838 ( -1.055 -0.617 2.585) 2.859 5.913 ( 1.202 -3.383 -2.448) 4.346 5.913 ( -1.202 -3.383 2.448) 4.346 6.164 ( 0.774 -0.075 -0.897) 1.187 6.164 ( -0.774 -0.075 0.897) 1.187 6.263 ( -0.094 2.153 -2.323) 3.169 6.263 ( 0.094 2.153 2.323) 3.169 6.445 ( 0.042 1.072 -0.785) 1.329 6.445 ( -0.042 1.072 0.785) 1.329 6.587 ( -1.696 0.199 -2.080) 2.691 6.587 ( 1.696 0.199 2.080) 2.691 6.688 ( 0.722 -0.486 -1.113) 1.413 6.688 ( -0.722 -0.486 1.113) 1.413 6.704 ( 1.184 -0.017 -1.143) 1.646 6.704 ( -1.184 -0.017 1.143) 1.646 7.090 ( 1.527 -0.085 -1.489) 2.134 7.090 ( -1.527 -0.085 1.489) 2.134 7.130 ( 0.958 0.275 -2.188) 2.404 7.130 ( -0.958 0.275 2.188) 2.404 7.324 ( -0.528 -0.831 -0.339) 1.041 7.324 ( 0.528 -0.831 0.339) 1.041 7.379 ( -0.475 -1.943 -1.171) 2.318 7.379 ( 0.475 -1.943 1.171) 2.318 7.463 ( -0.558 -0.413 -0.220) 0.728 7.463 ( 0.558 -0.413 0.220) 0.728 7.535 ( -2.177 -2.093 -1.384) 3.322 7.535 ( 2.177 -2.093 1.384) 3.322 7.671 ( 0.164 0.546 -1.954) 2.036 7.671 ( -0.164 0.546 1.954) 2.036 7.776 ( 0.115 -1.104 -0.830) 1.386 7.776 ( -0.115 -1.104 0.830) 1.386 7.932 ( 1.302 1.625 -2.722) 3.427 7.932 ( -1.302 1.625 2.722) 3.427 7.948 ( -2.999 -0.532 0.610) 3.107 7.948 ( 2.999 -0.532 -0.610) 3.107======================= Grid point 78 (37/44) =======================q-point: ( 0.20 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.368 ( 0.436 4.969 -7.626) 9.113 0.401 ( 2.357 8.533 -6.474) 10.967 0.561 ( -0.458 1.363 5.888) 6.061 0.711 ( -2.720 1.520 0.985) 3.268 0.743 ( 6.673 6.020 -10.111) 13.528 0.763 ( 3.947 7.633 3.904) 9.439 0.781 ( -5.817 0.410 1.386) 5.994 0.823 ( 0.609 -0.132 0.541) 0.825 0.912 ( -5.864 1.051 4.106) 7.235 0.935 ( 1.276 -0.084 -1.685) 2.116 0.960 ( 1.045 0.523 1.347) 1.783 1.020 ( 1.676 0.745 -2.082) 2.775 1.052 ( 0.137 1.161 2.753) 2.991 1.073 ( 1.100 1.227 1.409) 2.168 1.174 ( -2.439 -1.387 0.205) 2.813 1.210 ( 0.377 0.041 0.327) 0.501 1.263 ( -1.447 -1.275 1.842) 2.667 1.276 ( 0.129 -1.483 -0.108) 1.493 1.308 ( 0.008 0.069 -1.053) 1.055 1.335 ( -0.081 -1.365 -0.517) 1.462 1.339 ( -0.095 2.029 -3.216) 3.804 1.364 ( 0.297 -1.808 -2.925) 3.451 1.405 ( 0.637 0.530 0.578) 1.010 1.441 ( -2.607 1.877 3.931) 5.077 1.472 ( -2.554 1.096 0.972) 2.944 1.513 ( -1.472 -0.038 -1.952) 2.445 1.553 ( -0.729 -1.009 -0.836) 1.499 1.566 ( -1.512 -1.323 -0.372) 2.043 1.620 ( -0.629 -2.592 2.792) 3.861 1.654 ( 1.206 -2.737 -1.081) 3.180 1.712 ( -0.755 -0.557 2.490) 2.661 1.766 ( 1.205 -1.672 0.616) 2.151 1.827 ( 0.408 -1.797 0.594) 1.936 1.845 ( 2.289 -2.228 -1.290) 3.445 1.909 ( 3.535 -0.618 -1.654) 3.951 1.916 ( -1.494 -1.432 3.716) 4.253 1.958 ( -0.164 -2.854 -0.137) 2.862 2.017 ( 2.011 -0.061 1.252) 2.370 2.056 ( 1.093 -0.211 -1.732) 2.059 2.106 ( 1.574 2.116 -0.232) 2.648 2.145 ( 0.409 2.562 -4.245) 4.975 2.204 ( -3.236 4.455 2.836) 6.194 2.221 ( -1.758 1.166 -1.080) 2.369 2.229 ( -3.283 1.174 -0.743) 3.565 2.263 ( -0.742 1.706 0.561) 1.943 2.309 ( 2.352 0.983 1.420) 2.918 2.388 ( -2.832 0.629 -1.994) 3.520 2.475 ( -0.032 1.148 2.096) 2.390 2.495 ( -1.729 -1.543 0.330) 2.341 2.508 ( -1.691 -0.914 0.426) 1.969 2.550 ( -0.984 -2.044 1.081) 2.513 2.611 ( -2.602 -0.495 -0.373) 2.675 2.632 ( 0.609 -1.085 0.107) 1.249 2.658 ( -1.116 2.678 -0.012) 2.901 2.667 ( 0.266 -0.048 -0.357) 0.448 2.686 ( -1.143 -1.389 0.580) 1.890 2.722 ( -0.093 0.173 -1.095) 1.113 2.750 ( 2.627 -0.013 -1.098) 2.847 2.777 ( -2.850 0.973 0.015) 3.011 2.802 ( 0.334 0.528 0.611) 0.874 2.824 ( -1.485 -0.703 -1.321) 2.108 2.841 ( -0.209 -0.151 -0.771) 0.813 2.869 ( 0.047 1.083 1.436) 1.799 2.889 ( 1.879 1.100 1.000) 2.396 2.949 ( 0.733 0.326 2.855) 2.966 2.963 ( 1.206 0.836 2.950) 3.294 3.028 ( 2.748 -1.817 -1.602) 3.663 3.042 ( 3.206 1.131 -0.450) 3.430 3.102 ( -0.003 -2.288 -2.405) 3.319 3.157 ( -0.867 -1.217 -1.651) 2.227 3.192 ( 0.861 0.877 0.723) 1.425 3.211 ( 0.532 -1.108 -0.102) 1.234 3.242 ( -0.599 1.673 0.027) 1.777 3.272 ( -0.410 0.725 -0.829) 1.175 3.290 ( 0.759 0.903 -0.151) 1.190 3.318 ( -1.255 -1.348 -1.749) 2.540 3.366 ( 0.880 -0.480 0.926) 1.364 3.387 ( -0.581 -0.880 -0.058) 1.056 3.407 ( -0.279 -0.509 -0.044) 0.582 3.426 ( 1.988 -1.178 2.632) 3.503 3.451 ( 1.068 0.470 -0.547) 1.289 3.476 ( 0.406 0.996 -0.256) 1.106 3.525 ( -0.375 0.590 2.613) 2.705 3.571 ( 0.727 0.015 1.116) 1.332 3.625 ( 0.045 -0.650 -0.345) 0.737 3.640 ( 0.839 1.757 -0.709) 2.072 3.671 ( -0.162 0.548 0.151) 0.592 3.734 ( 0.817 0.077 -1.629) 1.824 3.794 ( -1.697 -0.158 -2.334) 2.890 3.827 ( -0.418 -0.092 -1.815) 1.865 3.852 ( -0.743 0.477 -1.688) 1.905 3.882 ( -0.602 0.581 -0.420) 0.936 3.946 ( -0.904 -0.567 2.803) 2.999 3.985 ( 1.890 -0.901 0.379) 2.128 4.047 ( 0.632 0.915 -0.585) 1.257 4.097 ( -0.557 -0.499 2.121) 2.249 4.184 ( 1.062 0.662 -0.856) 1.516 4.262 ( 0.176 -0.615 0.818) 1.038 4.287 ( -0.151 0.372 0.657) 0.770 4.291 ( -1.008 0.121 0.260) 1.048 4.303 ( 1.354 0.613 -0.229) 1.504 4.361 ( 1.327 -0.180 0.590) 1.463 4.455 ( -1.675 0.304 0.355) 1.739 4.479 ( 1.020 0.294 -1.447) 1.795 4.573 ( 0.460 -0.359 -1.035) 1.188 4.590 ( -0.402 -0.440 0.727) 0.940 4.676 ( -0.026 0.013 0.045) 0.053 4.690 ( 0.145 -0.054 0.145) 0.212 5.830 ( 1.485 -0.488 -2.180) 2.682 5.856 ( -1.236 -0.842 2.807) 3.181 5.863 ( -3.317 -1.479 2.724) 4.540 5.970 ( 3.312 -6.019 -2.180) 7.208 6.159 ( -0.574 0.047 0.527) 0.781 6.167 ( 0.473 0.047 -0.553) 0.730 6.237 ( -0.601 1.417 -0.503) 1.619 6.278 ( -2.219 2.187 1.994) 3.699 6.441 ( 0.275 0.803 -0.140) 0.860 6.461 ( 0.397 1.121 0.474) 1.280 6.554 ( -0.381 0.482 -0.094) 0.622 6.650 ( 0.027 -0.771 3.130) 3.224 6.686 ( -1.374 -0.470 1.111) 1.829 6.693 ( 1.662 -0.461 -1.949) 2.603 6.701 ( 1.761 -0.171 -1.525) 2.336 6.709 ( 0.216 -0.000 0.710) 0.742 7.082 ( -1.255 -0.021 1.538) 1.985 7.101 ( 1.329 0.091 -1.200) 1.793 7.117 ( 0.908 0.024 -2.222) 2.401 7.137 ( -1.075 0.318 1.421) 1.810 7.312 ( -0.273 -0.694 -0.266) 0.792 7.338 ( 0.763 -0.649 0.274) 1.039 7.355 ( -0.184 -1.576 -1.088) 1.924 7.393 ( 0.089 -1.518 0.581) 1.628 7.429 ( -1.830 -0.658 -2.053) 2.827 7.469 ( -0.052 0.142 -0.061) 0.163 7.487 ( -0.495 -0.466 -0.657) 0.946 7.562 ( 0.069 -2.245 0.254) 2.260 7.659 ( 0.942 1.128 -1.558) 2.142 7.701 ( 0.718 -0.058 2.104) 2.224 7.749 ( -2.653 -0.529 0.669) 2.786 7.782 ( -0.118 -1.286 -0.194) 1.306 7.871 ( -3.459 1.532 -0.002) 3.783 7.902 ( -0.365 -0.199 -2.311) 2.348 7.968 ( 0.941 0.368 1.093) 1.488 7.996 ( 2.738 0.399 -1.307) 3.061======================= Grid point 79 (38/44) =======================q-point: ( 0.40 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.384 ( 9.960 5.659 -2.175) 11.661 0.457 ( 8.308 6.019 -1.494) 10.367 0.537 ( -5.534 5.434 -1.505) 7.901 0.600 ( -8.472 3.779 -1.719) 9.434 0.727 ( 0.069 2.335 3.944) 4.584 0.792 ( -0.628 0.418 0.156) 0.770 0.827 ( 1.271 -1.113 2.174) 2.753 0.864 ( 0.426 2.393 0.642) 2.515 0.902 ( -1.534 0.140 -0.580) 1.646 0.937 ( 1.040 2.059 -1.758) 2.900 0.978 ( 3.353 1.233 -1.228) 3.778 1.015 ( 0.899 1.174 0.341) 1.518 1.036 ( -4.788 2.120 1.950) 5.588 1.049 ( -0.735 2.015 -1.194) 2.455 1.186 ( 0.070 -0.593 2.787) 2.850 1.214 ( -1.016 -0.605 0.185) 1.197 1.247 ( -0.488 -0.979 -1.719) 2.038 1.258 ( 0.051 -0.612 -3.232) 3.290 1.300 ( -0.020 -1.022 2.507) 2.708 1.319 ( 0.337 0.747 0.587) 1.008 1.333 ( -0.121 -0.545 -0.622) 0.836 1.344 ( 0.009 -2.550 -2.267) 3.412 1.418 ( 0.752 0.696 -0.771) 1.282 1.437 ( -2.325 2.290 1.711) 3.685 1.459 ( 1.095 -0.476 1.243) 1.723 1.491 ( -0.178 0.814 -0.979) 1.285 1.527 ( -0.702 -0.020 -0.428) 0.823 1.536 ( -1.463 0.650 -0.360) 1.641 1.641 ( -2.114 -4.165 3.903) 6.087 1.647 ( 1.842 -3.761 -3.042) 5.176 1.769 ( 1.967 -1.182 2.552) 3.432 1.786 ( 0.829 -0.791 0.207) 1.164 1.833 ( -0.727 -0.498 0.984) 1.321 1.851 ( 0.733 -1.557 -2.214) 2.804 1.924 ( 0.149 -4.140 0.542) 4.178 1.937 ( -0.522 -4.278 -0.229) 4.316 1.986 ( 2.063 2.389 2.879) 4.272 2.044 ( 0.949 1.440 -3.731) 4.110 2.065 ( 1.760 1.435 1.478) 2.710 2.101 ( 0.254 2.211 -1.035) 2.454 2.114 ( -3.043 1.698 0.327) 3.500 2.138 ( -3.896 0.720 -0.675) 4.019 2.191 ( 0.794 3.252 -0.911) 3.469 2.203 ( -0.563 2.251 -0.244) 2.333 2.277 ( 1.763 1.045 0.127) 2.053 2.318 ( -3.576 0.122 0.698) 3.645 2.386 ( 3.875 -0.863 0.798) 4.049 2.447 ( -2.971 -1.926 0.099) 3.542 2.499 ( -0.246 -0.131 2.330) 2.347 2.523 ( -0.265 -0.275 0.324) 0.501 2.552 ( -1.324 -1.415 2.543) 3.198 2.576 ( 0.411 -0.382 -1.518) 1.618 2.614 ( -0.681 0.671 -0.671) 1.168 2.649 ( -0.875 -0.239 0.787) 1.201 2.655 ( -0.178 1.277 -1.761) 2.182 2.666 ( -0.951 0.774 -2.122) 2.450 2.711 ( 0.159 0.105 2.546) 2.554 2.748 ( 0.569 0.601 -1.898) 2.071 2.757 ( -0.246 1.765 -0.803) 1.954 2.775 ( -1.604 -0.161 -1.271) 2.053 2.816 ( -0.313 0.391 1.190) 1.291 2.826 ( 0.099 -0.492 -1.108) 1.217 2.914 ( 1.730 -0.674 1.526) 2.404 2.928 ( 0.683 0.198 0.601) 0.931 3.001 ( -0.678 -1.042 3.397) 3.617 3.004 ( -0.040 -0.630 4.393) 4.438 3.033 ( 1.906 -0.842 -3.378) 3.969 3.059 ( 0.532 -0.235 -3.403) 3.452 3.111 ( 2.511 2.014 0.555) 3.267 3.134 ( -0.302 0.250 0.001) 0.392 3.192 ( -0.341 1.291 -0.866) 1.592 3.202 ( -0.328 0.999 -1.775) 2.063 3.262 ( 0.733 -0.537 1.058) 1.395 3.274 ( -0.834 -1.023 0.733) 1.510 3.281 ( 0.891 0.305 -0.239) 0.972 3.300 ( 0.175 0.048 -0.891) 0.910 3.363 ( 0.526 -1.229 -0.926) 1.627 3.379 ( -1.318 -0.415 -0.225) 1.400 3.440 ( 2.282 -0.431 3.477) 4.181 3.466 ( 1.346 0.840 0.745) 1.753 3.479 ( 0.322 -1.373 0.871) 1.658 3.495 ( 0.986 0.708 0.685) 1.394 3.531 ( -1.543 0.188 -0.515) 1.638 3.541 ( -2.020 -0.699 -2.366) 3.189 3.622 ( -0.422 -0.041 2.804) 2.836 3.650 ( 1.188 -0.689 -2.008) 2.433 3.685 ( 0.059 0.733 0.383) 0.829 3.699 ( 0.118 0.987 -3.711) 3.842 3.762 ( -0.677 0.495 1.773) 1.962 3.795 ( -0.597 0.326 -2.317) 2.415 3.839 ( 0.562 0.814 0.186) 1.007 3.861 ( -0.987 1.015 -0.748) 1.601 3.974 ( -0.144 0.093 2.799) 2.804 4.000 ( 0.393 0.288 -1.606) 1.678 4.056 ( 1.818 -0.056 -0.311) 1.845 4.089 ( -2.194 -0.765 0.595) 2.398 4.230 ( 2.956 -0.439 1.219) 3.228 4.272 ( -1.051 -0.198 0.481) 1.173 4.288 ( -0.059 0.097 0.777) 0.785 4.296 ( 0.725 -0.088 1.593) 1.753 4.306 ( 0.105 -0.051 -1.268) 1.274 4.349 ( -1.623 -0.578 -2.148) 2.753 4.451 ( -0.140 0.274 1.748) 1.774 4.471 ( 0.517 0.191 -2.001) 2.076 4.578 ( 1.065 -0.340 -0.389) 1.183 4.589 ( -0.748 -0.434 0.550) 1.025 4.682 ( 0.132 0.093 0.542) 0.565 4.689 ( -0.113 -0.010 -0.278) 0.300 5.833 ( 1.848 -0.518 -1.900) 2.701 5.842 ( -2.145 -0.779 1.916) 2.980 5.892 ( -0.848 -1.777 5.056) 5.426 5.949 ( 0.415 -4.356 -5.365) 6.923 6.161 ( -0.228 0.208 0.785) 0.843 6.166 ( 0.333 0.106 -0.718) 0.798 6.232 ( 0.353 1.259 0.043) 1.309 6.250 ( -1.992 1.996 0.208) 2.828 6.447 ( 0.653 0.720 -0.046) 0.973 6.460 ( -0.610 0.735 -0.121) 0.963 6.575 ( 1.453 0.509 1.702) 2.295 6.628 ( -2.154 -0.139 -1.635) 2.707 6.688 ( -1.840 -0.253 3.108) 3.620 6.694 ( 2.138 -0.262 -3.207) 3.864 6.709 ( 2.070 -0.220 -1.856) 2.789 6.720 ( -1.542 -0.570 1.672) 2.345 7.086 ( -1.013 0.086 2.101) 2.334 7.098 ( 0.833 0.157 -2.193) 2.351 7.116 ( 1.855 0.033 -1.475) 2.370 7.129 ( -1.592 0.044 1.145) 1.961 7.317 ( 0.587 -0.580 0.394) 0.914 7.336 ( -0.589 -0.477 -0.856) 1.144 7.363 ( 0.974 -0.946 0.607) 1.487 7.388 ( -1.191 -1.254 -0.639) 1.844 7.420 ( 1.572 -0.389 1.307) 2.081 7.454 ( -1.064 0.030 -0.571) 1.207 7.506 ( 1.752 -0.687 1.093) 2.176 7.548 ( -1.251 -1.684 -0.982) 2.316 7.669 ( 2.329 0.817 -1.058) 2.685 7.706 ( -3.425 0.283 0.839) 3.537 7.740 ( 1.199 -0.629 1.533) 2.046 7.771 ( -0.898 -1.342 -0.451) 1.677 7.846 ( -0.861 0.465 1.560) 1.842 7.868 ( 0.091 -0.567 -2.834) 2.892 7.993 ( 0.544 0.609 0.987) 1.281 8.007 ( 0.603 0.569 -1.216) 1.472======================= Grid point 82 (39/44) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 39Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( -0.452 5.536 -4.685) 7.267 0.546 ( 0.452 5.536 4.685) 7.267 0.713 ( -3.682 7.872 -4.997) 10.025 0.713 ( 3.682 7.872 4.997) 10.025 0.791 ( 2.035 1.166 -2.113) 3.157 0.791 ( -2.035 1.166 2.113) 3.157 0.903 ( -1.833 3.268 -5.942) 7.025 0.903 ( 1.833 3.268 5.942) 7.025 0.938 ( 0.521 1.676 -1.977) 2.644 0.938 ( -0.521 1.676 1.977) 2.644 0.997 ( -1.963 0.782 -1.059) 2.363 0.997 ( 1.963 0.782 1.059) 2.363 1.048 ( 0.066 1.450 -2.130) 2.577 1.048 ( -0.066 1.450 2.130) 2.577 1.205 ( 1.437 1.243 -3.012) 3.562 1.205 ( -1.437 1.243 3.012) 3.562 1.252 ( 1.803 -0.892 -1.989) 2.828 1.252 ( -1.803 -0.892 1.989) 2.828 1.311 ( -0.507 -1.601 -0.634) 1.795 1.311 ( 0.507 -1.601 0.634) 1.795 1.358 ( -0.962 -1.083 -1.190) 1.875 1.358 ( 0.962 -1.083 1.190) 1.875 1.432 ( -1.288 -0.531 -2.109) 2.528 1.432 ( 1.288 -0.531 2.109) 2.528 1.506 ( 1.192 -3.076 -1.367) 3.571 1.506 ( -1.192 -3.076 1.367) 3.571 1.543 ( 2.702 -1.337 -1.334) 3.296 1.543 ( -2.702 -1.337 1.334) 3.296 1.615 ( 0.022 1.758 -0.087) 1.760 1.615 ( -0.022 1.758 0.087) 1.760 1.706 ( -0.806 -0.622 -1.639) 1.930 1.706 ( 0.806 -0.622 1.639) 1.930 1.760 ( 1.352 -3.108 -1.342) 3.645 1.760 ( -1.352 -3.108 1.342) 3.645 1.849 ( 1.845 -4.712 -1.530) 5.287 1.849 ( -1.845 -4.712 1.530) 5.287 1.980 ( -2.244 2.446 -0.441) 3.349 1.980 ( 2.244 2.446 0.441) 3.349 2.107 ( -1.021 2.571 -1.631) 3.211 2.107 ( 1.021 2.571 1.631) 3.211 2.224 ( 0.821 0.741 -3.191) 3.377 2.224 ( -0.821 0.741 3.191) 3.377 2.273 ( -0.044 2.137 -2.182) 3.055 2.273 ( 0.044 2.137 2.182) 3.055 2.343 ( 2.751 2.357 -1.134) 3.796 2.343 ( -2.751 2.357 1.134) 3.796 2.457 ( 3.641 -1.572 -1.466) 4.228 2.457 ( -3.641 -1.572 1.466) 4.228 2.501 ( 0.607 1.675 -1.165) 2.129 2.501 ( -0.607 1.675 1.165) 2.129 2.581 ( -1.109 -1.807 -0.812) 2.270 2.581 ( 1.109 -1.807 0.812) 2.270 2.600 ( -4.016 -1.168 0.268) 4.191 2.600 ( 4.016 -1.168 -0.268) 4.191 2.703 ( -0.014 0.434 -0.935) 1.031 2.703 ( 0.014 0.434 0.935) 1.031 2.711 ( -2.298 -0.565 -0.887) 2.528 2.711 ( 2.298 -0.565 0.887) 2.528 2.810 ( -0.577 -0.152 -0.321) 0.677 2.810 ( 0.577 -0.152 0.321) 0.677 2.864 ( -0.700 0.984 -1.717) 2.099 2.864 ( 0.700 0.984 1.717) 2.099 2.901 ( 0.968 -0.596 -2.622) 2.858 2.901 ( -0.968 -0.596 2.622) 2.858 2.927 ( -2.764 0.757 0.221) 2.874 2.927 ( 2.764 0.757 -0.221) 2.874 2.979 ( -0.572 -0.800 -1.135) 1.502 2.979 ( 0.572 -0.800 1.135) 1.502 3.111 ( -1.014 -0.612 -2.069) 2.384 3.111 ( 1.014 -0.612 2.069) 2.384 3.191 ( -1.370 -0.663 -2.155) 2.638 3.191 ( 1.370 -0.663 2.155) 2.638 3.280 ( -0.531 -1.141 -0.639) 1.411 3.280 ( 0.531 -1.141 0.639) 1.411 3.307 ( -0.996 -0.270 -0.910) 1.376 3.307 ( 0.996 -0.270 0.910) 1.376 3.363 ( 1.512 1.180 -1.187) 2.256 3.363 ( -1.512 1.180 1.187) 2.256 3.393 ( 0.245 -0.030 -1.940) 1.956 3.393 ( -0.245 -0.030 1.940) 1.956 3.473 ( -0.958 0.550 -1.800) 2.112 3.473 ( 0.958 0.550 1.800) 2.112 3.532 ( -0.485 -0.683 -1.537) 1.750 3.532 ( 0.485 -0.683 1.537) 1.750 3.658 ( -1.050 1.927 -1.137) 2.471 3.658 ( 1.050 1.927 1.137) 2.471 3.715 ( -0.036 0.584 -2.826) 2.886 3.715 ( 0.036 0.584 2.826) 2.886 3.829 ( -0.905 -0.284 -0.522) 1.083 3.829 ( 0.905 -0.284 0.522) 1.083 3.880 ( -0.424 -0.235 -0.352) 0.599 3.880 ( 0.424 -0.235 0.352) 0.599 3.950 ( 0.579 0.195 -1.720) 1.826 3.950 ( -0.579 0.195 1.720) 1.826 4.065 ( -0.113 0.485 -1.468) 1.550 4.065 ( 0.113 0.485 1.468) 1.550 4.240 ( -0.737 0.762 -1.719) 2.020 4.240 ( 0.737 0.762 1.719) 2.020 4.292 ( -0.870 0.108 -0.304) 0.928 4.292 ( 0.870 0.108 0.304) 0.928 4.318 ( -1.476 -0.147 -1.123) 1.860 4.318 ( 1.476 -0.147 1.123) 1.860 4.474 ( 0.534 -0.518 -0.800) 1.092 4.474 ( -0.534 -0.518 0.800) 1.092 4.575 ( 0.009 -0.152 -0.536) 0.557 4.575 ( -0.009 -0.152 0.536) 0.557 4.681 ( -0.237 -0.135 -0.358) 0.450 4.681 ( 0.237 -0.135 0.358) 0.450 5.823 ( 1.356 -0.869 -2.662) 3.111 5.823 ( -1.356 -0.869 2.662) 3.111 5.853 ( 3.283 -2.585 -3.739) 5.607 5.853 ( -3.283 -2.585 3.739) 5.607 6.167 ( 0.746 0.267 -1.175) 1.417 6.167 ( -0.746 0.267 1.175) 1.417 6.283 ( 0.284 0.103 -2.180) 2.201 6.283 ( -0.284 0.103 2.180) 2.201 6.469 ( -0.087 1.251 -0.287) 1.286 6.469 ( 0.087 1.251 0.287) 1.286 6.592 ( -0.512 0.263 -1.932) 2.016 6.592 ( 0.512 0.263 1.932) 2.016 6.676 ( 0.361 -0.635 -0.417) 0.841 6.676 ( -0.361 -0.635 0.417) 0.841 6.705 ( -0.196 0.063 -0.165) 0.264 6.705 ( 0.196 0.063 0.165) 0.264 7.090 ( 0.847 0.084 -1.100) 1.391 7.090 ( -0.847 0.084 1.100) 1.391 7.132 ( 0.513 -0.102 -1.504) 1.592 7.132 ( -0.513 -0.102 1.504) 1.592 7.305 ( -0.507 -1.014 -0.295) 1.171 7.305 ( 0.507 -1.014 0.295) 1.171 7.338 ( -0.483 -2.068 -0.875) 2.297 7.338 ( 0.483 -2.068 0.875) 2.297 7.457 ( -0.868 -0.179 -0.338) 0.948 7.457 ( 0.868 -0.179 0.338) 0.948 7.496 ( -0.670 -1.749 -1.386) 2.330 7.496 ( 0.670 -1.749 1.386) 2.330 7.683 ( 0.376 0.589 -1.363) 1.532 7.683 ( -0.376 0.589 1.363) 1.532 7.759 ( 0.369 -0.620 -1.382) 1.559 7.759 ( -0.369 -0.620 1.382) 1.559 7.923 ( 0.491 -0.989 -1.350) 1.744 7.923 ( -0.491 -0.989 1.350) 1.744 7.968 ( 0.489 1.135 -0.645) 1.395 7.968 ( -0.489 1.135 0.645) 1.395======================= Grid point 84 (40/44) =======================q-point: ( 0.20 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.495 ( -0.309 7.744 -2.838) 8.254 0.580 ( -0.608 9.538 -5.070) 10.818 0.627 ( 0.678 4.673 5.807) 7.485 0.722 ( -1.100 0.378 1.112) 1.609 0.790 ( -3.318 1.323 -0.940) 3.694 0.838 ( 0.614 2.349 -1.313) 2.760 0.869 ( -1.335 5.487 -3.361) 6.572 0.903 ( 0.008 1.998 2.869) 3.496 0.941 ( 1.492 4.349 2.218) 5.105 0.949 ( -2.169 0.130 0.511) 2.232 0.986 ( 2.343 1.994 1.177) 3.294 1.032 ( -0.539 1.330 0.221) 1.452 1.050 ( 1.393 0.728 1.432) 2.126 1.104 ( -1.317 0.253 -0.277) 1.369 1.173 ( -0.880 1.144 2.723) 3.081 1.222 ( 0.092 1.557 0.273) 1.583 1.241 ( -1.692 -1.150 0.317) 2.070 1.252 ( -0.303 -1.589 2.110) 2.659 1.296 ( -1.037 -1.515 -1.380) 2.297 1.307 ( 0.875 -1.899 -0.698) 2.204 1.314 ( -1.411 -1.630 -2.486) 3.290 1.364 ( -0.509 0.331 -1.534) 1.649 1.401 ( -0.300 -1.588 -0.601) 1.725 1.446 ( -2.157 -0.643 0.851) 2.406 1.482 ( 0.817 -1.858 -1.368) 2.447 1.509 ( -0.812 -0.022 0.196) 0.836 1.522 ( 0.752 -0.728 1.602) 1.914 1.553 ( -1.098 0.524 0.600) 1.357 1.607 ( -0.225 0.792 -0.657) 1.053 1.638 ( 1.215 0.169 -0.988) 1.575 1.679 ( -0.240 -1.762 -0.237) 1.794 1.735 ( 0.119 -1.991 1.238) 2.347 1.777 ( 1.549 -3.182 -0.742) 3.616 1.784 ( 1.262 -3.095 1.481) 3.656 1.830 ( -0.694 -5.072 -0.369) 5.133 1.864 ( 2.448 -4.141 -2.594) 5.465 1.973 ( 1.224 2.595 1.153) 3.093 2.036 ( 2.399 2.306 1.575) 3.681 2.087 ( 0.289 2.675 -0.126) 2.693 2.137 ( 0.984 1.513 -0.084) 1.806 2.192 ( 0.529 2.019 -3.194) 3.816 2.227 ( -0.320 0.586 -0.835) 1.069 2.262 ( -0.650 1.994 -0.981) 2.315 2.286 ( -2.757 1.266 2.184) 3.738 2.310 ( -2.975 4.945 3.308) 6.651 2.356 ( 0.339 2.646 0.484) 2.712 2.386 ( -4.503 -0.574 -1.496) 4.779 2.456 ( 0.739 -2.735 -3.072) 4.179 2.468 ( -3.141 -2.066 -0.043) 3.759 2.520 ( 0.431 0.761 0.802) 1.186 2.533 ( -0.140 1.149 1.675) 2.036 2.581 ( -0.916 -1.238 -2.909) 3.291 2.608 ( -1.389 -1.913 3.311) 4.068 2.642 ( -1.191 -1.729 0.862) 2.270 2.667 ( -0.038 -0.638 -1.038) 1.219 2.705 ( 0.184 1.597 1.478) 2.184 2.729 ( 0.548 0.904 -0.243) 1.085 2.751 ( 2.629 -0.048 -0.419) 2.663 2.795 ( 0.307 0.499 -0.556) 0.807 2.802 ( -0.670 -1.154 -1.513) 2.017 2.813 ( -1.368 0.917 -0.677) 1.780 2.858 ( -0.878 1.419 -1.278) 2.102 2.876 ( -2.637 -0.287 1.349) 2.976 2.911 ( 1.367 0.489 0.342) 1.492 2.926 ( -0.315 -2.320 2.669) 3.550 2.963 ( -1.082 -1.283 3.174) 3.591 3.001 ( 3.571 -0.164 -0.327) 3.589 3.071 ( 6.179 0.492 -0.339) 6.208 3.082 ( 0.752 0.667 -2.572) 2.762 3.142 ( 0.601 -0.392 -2.032) 2.155 3.169 ( 0.985 -1.542 2.287) 2.929 3.225 ( 0.395 1.149 0.800) 1.455 3.270 ( -0.069 -0.463 0.575) 0.741 3.271 ( -1.368 -0.583 -1.141) 1.874 3.286 ( -0.821 -0.597 -0.033) 1.016 3.311 ( -0.215 0.334 -0.261) 0.476 3.359 ( 0.324 0.586 -0.859) 1.089 3.383 ( 0.355 -0.174 0.642) 0.754 3.389 ( 0.488 0.549 0.829) 1.108 3.407 ( 0.035 -0.231 1.302) 1.323 3.461 ( 1.181 -0.263 -0.109) 1.215 3.500 ( 0.590 0.978 -1.346) 1.765 3.524 ( -0.109 -0.153 1.957) 1.966 3.558 ( 1.042 -1.742 0.420) 2.073 3.627 ( -1.324 0.782 -0.892) 1.778 3.668 ( -0.531 1.115 -2.346) 2.652 3.690 ( 0.756 1.389 0.447) 1.643 3.749 ( 0.641 1.054 1.052) 1.621 3.791 ( -1.505 0.035 -1.922) 2.441 3.827 ( 0.150 0.044 -2.169) 2.175 3.858 ( -0.945 0.081 -0.884) 1.296 3.882 ( -0.001 -0.657 -0.432) 0.786 3.945 ( -0.173 0.579 2.000) 2.089 3.979 ( 1.432 0.205 0.471) 1.521 4.066 ( 0.555 1.026 0.462) 1.255 4.087 ( -0.496 -0.331 1.546) 1.657 4.206 ( 0.020 1.446 -1.364) 1.988 4.252 ( 0.014 -0.396 0.231) 0.458 4.286 ( -0.064 -0.359 0.390) 0.534 4.292 ( -0.679 0.026 -0.046) 0.681 4.314 ( 1.135 0.395 -0.442) 1.280 4.352 ( 0.650 -0.731 0.621) 1.159 4.456 ( -0.943 -0.133 -0.221) 0.977 4.478 ( 0.697 -0.450 -1.049) 1.337 4.570 ( -0.104 0.031 -0.052) 0.120 4.581 ( -0.106 -0.367 0.556) 0.675 4.675 ( -0.040 -0.089 -0.031) 0.102 4.688 ( 0.022 -0.254 0.278) 0.377 5.817 ( 1.809 -0.707 -2.492) 3.159 5.832 ( -2.329 -1.462 2.000) 3.401 5.836 ( -1.246 -1.165 3.028) 3.475 5.876 ( 2.678 -3.696 -2.421) 5.167 6.163 ( 0.166 0.256 -0.331) 0.450 6.171 ( -0.002 0.231 0.115) 0.258 6.258 ( -0.561 0.713 -0.804) 1.212 6.292 ( -1.676 -0.300 1.508) 2.274 6.459 ( -0.575 0.993 0.526) 1.262 6.480 ( 0.515 0.607 -0.746) 1.091 6.571 ( -0.346 1.269 0.629) 1.458 6.634 ( 0.366 -0.875 1.646) 1.900 6.676 ( -0.719 -0.515 1.043) 1.368 6.681 ( 1.398 -0.724 -1.316) 2.052 6.700 ( 0.719 0.068 -0.972) 1.211 6.708 ( -0.047 -0.075 0.209) 0.227 7.084 ( -0.651 0.236 0.901) 1.137 7.102 ( 1.000 0.047 -0.226) 1.026 7.119 ( 0.354 0.091 -1.701) 1.740 7.136 ( -0.608 -0.400 0.449) 0.855 7.298 ( 0.080 -0.720 -0.168) 0.743 7.320 ( 1.056 -1.237 0.154) 1.634 7.327 ( 0.521 -1.173 -0.731) 1.477 7.356 ( 0.787 -2.012 0.339) 2.186 7.425 ( -1.821 0.215 -0.818) 2.008 7.468 ( -0.289 -0.342 0.047) 0.450 7.475 ( 0.217 -0.564 -0.310) 0.679 7.513 ( -0.589 -2.530 1.066) 2.808 7.678 ( 0.935 0.778 -1.410) 1.862 7.700 ( 0.535 -0.105 0.925) 1.074 7.739 ( -1.622 -0.301 0.371) 1.690 7.764 ( -0.854 -0.730 0.578) 1.264 7.889 ( -1.930 0.141 -0.758) 2.078 7.897 ( -1.886 -0.090 -0.865) 2.077 7.977 ( 1.049 0.592 0.770) 1.430 8.001 ( 1.789 0.010 -0.409) 1.835======================= Grid point 85 (41/44) =======================q-point: ( 0.40 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.507 ( 5.928 7.138 -0.489) 9.292 0.588 ( 2.864 7.790 -1.494) 8.434 0.672 ( 0.154 6.592 -1.904) 6.863 0.691 ( -6.822 4.300 1.631) 8.228 0.763 ( 0.141 0.803 4.125) 4.205 0.796 ( -0.881 1.112 -1.374) 1.975 0.840 ( -0.520 2.364 0.825) 2.557 0.892 ( -1.676 0.319 0.119) 1.710 0.916 ( -2.247 3.155 0.168) 3.877 0.959 ( -2.650 0.349 -2.030) 3.356 1.012 ( 2.362 -0.888 1.962) 3.196 1.042 ( 0.673 0.705 0.256) 1.008 1.065 ( -0.852 0.339 -0.248) 0.950 1.076 ( 0.082 2.341 -1.048) 2.567 1.195 ( -0.201 -0.762 1.084) 1.340 1.217 ( -0.776 2.611 3.025) 4.070 1.233 ( -1.897 -0.435 1.460) 2.433 1.250 ( 1.157 0.475 -4.559) 4.728 1.276 ( -1.508 -1.908 1.062) 2.654 1.287 ( 0.344 -1.549 -1.748) 2.360 1.319 ( 0.535 -1.382 0.543) 1.578 1.333 ( 0.120 0.057 -0.976) 0.985 1.415 ( 2.212 -2.042 1.076) 3.197 1.446 ( 1.426 0.323 0.805) 1.669 1.471 ( -0.366 -0.206 -2.157) 2.197 1.500 ( -2.582 1.520 0.778) 3.095 1.542 ( -0.822 1.362 2.199) 2.714 1.561 ( 0.602 1.027 -1.012) 1.562 1.587 ( 1.750 -0.621 -1.484) 2.377 1.616 ( -2.159 -0.036 0.229) 2.171 1.720 ( 2.706 -2.896 1.191) 4.139 1.744 ( -0.221 -4.339 0.451) 4.368 1.776 ( 1.085 -5.538 -1.865) 5.944 1.793 ( -1.782 -3.163 1.214) 3.828 1.833 ( 0.932 -3.154 -0.127) 3.292 1.853 ( -0.213 -3.945 -2.004) 4.430 2.045 ( 3.968 3.184 2.421) 5.634 2.082 ( 2.450 2.268 -0.591) 3.391 2.108 ( 0.574 3.015 1.384) 3.367 2.134 ( -0.123 0.894 -0.536) 1.050 2.169 ( -0.272 3.551 -1.953) 4.062 2.188 ( -5.874 3.516 0.943) 6.910 2.226 ( 1.169 1.018 -1.334) 2.045 2.249 ( -2.743 1.863 -1.320) 3.569 2.303 ( -0.457 1.367 1.963) 2.435 2.328 ( -1.356 1.369 -0.236) 1.941 2.380 ( 1.310 -0.295 0.336) 1.384 2.414 ( -1.769 -1.961 -1.041) 2.838 2.481 ( -0.382 -1.482 3.205) 3.552 2.507 ( -0.122 -1.196 -2.999) 3.231 2.526 ( -0.184 -1.644 2.022) 2.613 2.580 ( 1.295 1.413 0.505) 1.982 2.601 ( -1.492 -1.852 -0.849) 2.525 2.632 ( -1.019 -0.166 -1.296) 1.657 2.659 ( 0.018 -0.798 1.919) 2.078 2.694 ( -0.767 0.937 -2.615) 2.882 2.733 ( 0.211 2.271 2.409) 3.317 2.768 ( -0.347 1.261 -2.118) 2.489 2.774 ( -0.827 -0.126 1.293) 1.540 2.782 ( 0.638 -0.219 -1.509) 1.653 2.823 ( 1.427 1.345 -1.115) 2.255 2.838 ( -1.989 1.353 1.115) 2.652 2.889 ( 2.674 -1.747 0.904) 3.319 2.924 ( -0.549 -0.805 0.134) 0.984 2.960 ( 0.395 -2.565 1.934) 3.237 2.975 ( -1.067 -1.848 1.464) 2.588 3.033 ( 0.136 0.343 1.693) 1.733 3.063 ( 1.270 0.492 -3.967) 4.194 3.134 ( 1.750 0.313 0.593) 1.874 3.151 ( 1.875 0.532 -1.121) 2.248 3.203 ( 1.036 -0.133 -0.108) 1.050 3.216 ( -1.232 1.056 -0.443) 1.682 3.258 ( 0.182 -0.422 1.084) 1.178 3.273 ( 0.034 0.579 -0.215) 0.618 3.289 ( 0.075 0.442 1.018) 1.112 3.301 ( -0.801 0.468 -0.090) 0.933 3.354 ( 1.710 0.369 -2.175) 2.791 3.370 ( -2.179 -0.458 0.994) 2.439 3.436 ( 2.403 0.482 2.818) 3.735 3.447 ( 1.526 -1.156 2.061) 2.813 3.476 ( -0.598 0.456 -0.238) 0.789 3.500 ( 1.197 -1.430 0.200) 1.876 3.527 ( -0.800 -1.086 -1.344) 1.904 3.534 ( -2.201 0.191 -2.680) 3.474 3.620 ( 0.613 0.235 1.736) 1.856 3.646 ( 0.260 0.209 -1.733) 1.765 3.700 ( -0.239 1.103 1.121) 1.591 3.728 ( -0.453 1.782 -3.261) 3.743 3.774 ( -0.817 0.533 2.173) 2.382 3.800 ( -0.022 0.141 -2.487) 2.491 3.850 ( 0.458 0.051 0.567) 0.731 3.870 ( -0.614 -0.407 -0.730) 1.037 3.982 ( 0.822 0.795 2.419) 2.676 4.004 ( 1.011 0.372 -0.530) 1.200 4.065 ( 0.061 0.771 -0.741) 1.071 4.078 ( -1.737 -0.259 0.439) 1.811 4.230 ( 2.648 0.526 0.874) 2.838 4.264 ( -0.141 -0.352 0.774) 0.862 4.287 ( -0.237 -0.229 0.640) 0.720 4.294 ( 0.274 -0.285 1.036) 1.109 4.305 ( -0.363 -0.007 -1.666) 1.706 4.334 ( -1.512 -0.865 -1.879) 2.562 4.456 ( 0.265 0.268 1.049) 1.115 4.473 ( 0.257 -0.113 -1.272) 1.302 4.573 ( 0.393 -0.121 0.201) 0.458 4.582 ( -0.404 -0.289 0.141) 0.516 4.679 ( 0.327 -0.324 0.198) 0.501 4.687 ( -0.371 -0.347 0.009) 0.508 5.820 ( 1.980 -0.737 -2.325) 3.142 5.824 ( -1.902 -0.968 2.177) 3.048 5.855 ( -1.326 -1.846 3.559) 4.223 5.875 ( 1.654 -3.157 -3.493) 4.990 6.164 ( 0.442 0.154 -0.256) 0.534 6.169 ( -0.334 0.137 0.110) 0.377 6.253 ( 0.669 0.774 -0.202) 1.043 6.271 ( -2.001 0.331 0.561) 2.105 6.462 ( -0.079 0.672 0.705) 0.977 6.472 ( -0.021 0.398 -0.916) 0.999 6.590 ( 0.945 1.035 1.358) 1.952 6.625 ( -1.406 -0.140 -0.787) 1.618 6.681 ( -1.151 -0.442 2.104) 2.438 6.685 ( 1.633 -0.619 -2.210) 2.817 6.704 ( 1.240 -0.256 -1.225) 1.762 6.709 ( -0.917 -0.466 1.078) 1.490 7.090 ( -0.491 0.295 1.514) 1.619 7.103 ( 0.370 0.282 -1.746) 1.807 7.115 ( 1.045 -0.071 -0.435) 1.134 7.126 ( -0.838 -0.300 0.197) 0.912 7.306 ( 0.811 -0.483 0.271) 0.982 7.323 ( -0.164 -0.784 -0.741) 1.091 7.342 ( 1.018 -1.022 0.295) 1.473 7.361 ( -0.633 -1.524 -0.348) 1.686 7.416 ( 1.103 0.116 1.071) 1.542 7.451 ( -1.329 -0.234 -0.429) 1.416 7.489 ( 0.950 -1.088 0.233) 1.463 7.506 ( -1.079 -2.480 0.248) 2.716 7.681 ( 1.632 0.370 -1.242) 2.084 7.702 ( -1.440 -0.682 0.071) 1.595 7.733 ( -0.132 0.006 1.382) 1.389 7.750 ( -0.981 -0.713 -0.097) 1.217 7.861 ( -0.991 0.818 0.379) 1.340 7.865 ( -0.328 0.274 -1.184) 1.259 8.000 ( 0.847 0.169 0.394) 0.950 8.011 ( 0.127 -0.092 -0.374) 0.405======================= Grid point 88 (42/44) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 39Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( -0.307 4.087 -1.458) 4.350 0.647 ( 0.307 4.087 1.458) 4.350 0.778 ( -1.805 -0.548 -1.478) 2.396 0.778 ( 1.805 -0.548 1.478) 2.396 0.835 ( -1.853 2.275 -3.693) 4.717 0.835 ( 1.853 2.275 3.693) 4.717 0.942 ( -1.486 0.683 -1.162) 2.006 0.942 ( 1.486 0.683 1.162) 2.006 0.991 ( -1.886 2.718 -2.002) 3.867 0.991 ( 1.886 2.718 2.002) 3.867 1.014 ( -1.187 0.860 -2.124) 2.581 1.014 ( 1.187 0.860 2.124) 2.581 1.089 ( -2.258 3.775 0.340) 4.412 1.089 ( 2.258 3.775 -0.340) 4.412 1.195 ( -4.442 -4.252 0.649) 6.184 1.195 ( 4.442 -4.252 -0.649) 6.184 1.241 ( 0.132 0.009 -0.712) 0.724 1.241 ( -0.132 0.009 0.712) 0.724 1.285 ( -0.976 0.496 -1.161) 1.596 1.285 ( 0.976 0.496 1.161) 1.596 1.335 ( -1.058 -2.016 -1.615) 2.791 1.335 ( 1.058 -2.016 1.615) 2.791 1.404 ( -1.484 -0.796 -0.749) 1.843 1.404 ( 1.484 -0.796 0.749) 1.843 1.469 ( 2.013 -0.707 -1.046) 2.377 1.469 ( -2.013 -0.707 1.046) 2.377 1.537 ( 0.200 0.178 -0.510) 0.576 1.537 ( -0.200 0.178 0.510) 0.576 1.645 ( 0.944 1.164 -0.810) 1.703 1.645 ( -0.944 1.164 0.810) 1.703 1.697 ( -0.796 -0.585 -1.728) 1.991 1.697 ( 0.796 -0.585 1.728) 1.991 1.721 ( -0.017 -0.606 -0.912) 1.096 1.721 ( 0.017 -0.606 0.912) 1.096 1.761 ( -0.527 -3.499 -0.622) 3.593 1.761 ( 0.527 -3.499 0.622) 3.593 2.033 ( -1.442 2.233 -0.242) 2.669 2.033 ( 1.442 2.233 0.242) 2.669 2.159 ( -1.113 2.176 -0.970) 2.630 2.159 ( 1.113 2.176 0.970) 2.630 2.239 ( -0.415 1.277 -1.211) 1.808 2.239 ( 0.415 1.277 1.211) 1.808 2.287 ( -1.024 -2.248 -0.664) 2.558 2.287 ( 1.024 -2.248 0.664) 2.558 2.366 ( 1.054 2.230 -3.942) 4.650 2.366 ( -1.054 2.230 3.942) 4.650 2.436 ( 0.966 -1.245 -2.813) 3.224 2.436 ( -0.966 -1.245 2.813) 3.224 2.517 ( 0.347 -2.344 -1.093) 2.609 2.517 ( -0.347 -2.344 1.093) 2.609 2.538 ( -0.028 1.278 -0.847) 1.534 2.538 ( 0.028 1.278 0.847) 1.534 2.619 ( -2.935 1.543 -0.375) 3.337 2.619 ( 2.935 1.543 0.375) 3.337 2.677 ( -2.038 -1.794 -0.239) 2.725 2.677 ( 2.038 -1.794 0.239) 2.725 2.742 ( -1.952 2.600 -1.732) 3.683 2.742 ( 1.952 2.600 1.732) 3.683 2.795 ( -0.693 -1.580 -0.956) 1.973 2.795 ( 0.693 -1.580 0.956) 1.973 2.859 ( -0.442 -1.230 -1.334) 1.868 2.859 ( 0.442 -1.230 1.334) 1.868 2.879 ( 0.315 -0.598 -0.500) 0.841 2.879 ( -0.315 -0.598 0.500) 0.841 2.948 ( -3.472 1.524 -0.818) 3.879 2.948 ( 3.472 1.524 0.818) 3.879 2.973 ( -3.543 -0.666 -0.662) 3.665 2.973 ( 3.543 -0.666 0.662) 3.665 3.117 ( 0.087 1.183 -2.443) 2.715 3.117 ( -0.087 1.183 2.443) 2.715 3.158 ( -0.282 -2.341 -2.625) 3.529 3.158 ( 0.282 -2.341 2.625) 3.529 3.273 ( 0.014 -0.137 -0.344) 0.371 3.273 ( -0.014 -0.137 0.344) 0.371 3.299 ( -0.503 0.117 -0.947) 1.079 3.299 ( 0.503 0.117 0.947) 1.079 3.385 ( 1.329 1.030 -1.122) 2.022 3.385 ( -1.329 1.030 1.122) 2.022 3.407 ( -0.378 0.317 -0.909) 1.034 3.407 ( 0.378 0.317 0.909) 1.034 3.470 ( -1.091 -0.490 -1.344) 1.799 3.470 ( 1.091 -0.490 1.344) 1.799 3.520 ( -0.074 -0.250 -0.519) 0.580 3.520 ( 0.074 -0.250 0.519) 0.580 3.691 ( -0.316 1.629 -1.721) 2.391 3.691 ( 0.316 1.629 1.721) 2.391 3.717 ( 0.518 -0.711 -2.805) 2.939 3.717 ( -0.518 -0.711 2.805) 2.939 3.831 ( -0.797 0.390 -0.021) 0.888 3.831 ( 0.797 0.390 0.021) 0.888 3.873 ( 0.337 -0.385 -0.254) 0.571 3.873 ( -0.337 -0.385 0.254) 0.571 3.955 ( 0.198 0.198 -0.860) 0.905 3.955 ( -0.198 0.198 0.860) 0.905 4.074 ( 0.112 0.311 -0.619) 0.702 4.074 ( -0.112 0.311 0.619) 0.702 4.250 ( -0.173 0.298 -0.559) 0.657 4.250 ( 0.173 0.298 0.559) 0.657 4.290 ( -0.936 -0.205 -0.191) 0.977 4.290 ( 0.936 -0.205 0.191) 0.977 4.318 ( -0.925 0.127 -0.449) 1.036 4.318 ( 0.925 0.127 0.449) 1.036 4.462 ( -0.095 -0.453 -0.194) 0.502 4.462 ( 0.095 -0.453 0.194) 0.502 4.575 ( 0.002 0.065 -0.105) 0.123 4.575 ( -0.002 0.065 0.105) 0.123 4.678 ( -0.086 -0.111 -0.161) 0.214 4.678 ( 0.086 -0.111 0.161) 0.214 5.810 ( 1.417 -0.340 -2.316) 2.737 5.810 ( -1.417 -0.340 2.316) 2.737 5.818 ( 2.092 -0.998 -2.756) 3.601 5.818 ( -2.092 -0.998 2.756) 3.601 6.171 ( 0.303 0.164 -0.554) 0.653 6.171 ( -0.303 0.164 0.554) 0.653 6.279 ( 0.150 -0.263 -0.799) 0.854 6.279 ( -0.150 -0.263 0.799) 0.854 6.486 ( 0.386 0.428 -0.408) 0.706 6.486 ( -0.386 0.428 0.408) 0.706 6.596 ( 0.047 0.154 -0.803) 0.819 6.596 ( -0.047 0.154 0.803) 0.819 6.667 ( 0.216 -0.278 -0.249) 0.431 6.667 ( -0.216 -0.278 0.249) 0.431 6.706 ( -0.020 0.029 -0.149) 0.153 6.706 ( 0.020 0.029 0.149) 0.153 7.093 ( 0.270 0.146 -0.451) 0.545 7.093 ( -0.270 0.146 0.451) 0.545 7.127 ( 0.190 -0.234 -0.518) 0.599 7.127 ( -0.190 -0.234 0.518) 0.599 7.291 ( -0.224 -0.384 -0.082) 0.452 7.291 ( 0.224 -0.384 0.082) 0.452 7.308 ( -0.187 -0.880 -0.361) 0.969 7.308 ( 0.187 -0.880 0.361) 0.969 7.457 ( -0.595 0.180 -0.336) 0.707 7.457 ( 0.595 0.180 0.336) 0.707 7.471 ( -0.112 -0.828 -0.867) 1.204 7.471 ( 0.112 -0.828 0.867) 1.204 7.691 ( 0.192 0.230 -0.536) 0.614 7.691 ( -0.192 0.230 0.536) 0.614 7.751 ( 0.174 -0.216 -0.679) 0.733 7.751 ( -0.174 -0.216 0.679) 0.733 7.910 ( 0.112 -0.372 -0.446) 0.591 7.910 ( -0.112 -0.372 0.446) 0.591 7.981 ( 0.309 0.324 -0.308) 0.544 7.981 ( -0.309 0.324 0.308) 0.544======================= Grid point 90 (43/44) =======================q-point: ( 0.20 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( -0.266 6.243 0.077) 6.249 0.685 ( 0.912 1.807 2.904) 3.539 0.732 ( -0.618 1.171 -1.511) 2.009 0.741 ( -1.768 2.497 -1.906) 3.605 0.823 ( -0.907 3.458 -0.985) 3.708 0.875 ( -1.061 0.524 -0.881) 1.475 0.893 ( -1.873 -0.788 2.442) 3.176 0.906 ( -1.827 -1.812 1.160) 2.822 0.972 ( -3.003 2.797 -0.777) 4.177 1.001 ( 0.072 -0.521 2.351) 2.409 1.019 ( -1.092 3.369 2.049) 4.092 1.057 ( -3.883 0.492 0.647) 3.967 1.091 ( 0.970 0.711 0.948) 1.531 1.101 ( -1.415 -0.030 2.036) 2.479 1.191 ( 3.230 0.005 0.476) 3.265 1.204 ( -3.431 -0.753 -0.165) 3.516 1.228 ( -0.756 0.007 1.036) 1.282 1.246 ( 0.324 -1.375 -0.949) 1.702 1.269 ( 0.504 0.128 -0.172) 0.548 1.273 ( 1.294 -1.098 -0.663) 1.823 1.313 ( 0.139 0.885 -1.982) 2.176 1.350 ( 0.548 -2.128 -1.953) 2.941 1.392 ( -0.090 2.077 -0.134) 2.083 1.435 ( -1.945 -0.894 0.816) 2.290 1.446 ( 2.475 -0.927 -0.299) 2.660 1.478 ( 2.486 -2.503 -1.153) 3.711 1.535 ( -1.107 1.438 2.429) 3.031 1.562 ( 0.556 -0.591 0.905) 1.215 1.622 ( -1.641 1.297 -0.402) 2.130 1.641 ( -0.170 -0.208 -2.049) 2.066 1.665 ( -0.764 -0.634 -0.224) 1.018 1.697 ( -0.581 -4.062 -1.083) 4.244 1.714 ( -1.025 1.569 0.140) 1.880 1.754 ( 1.962 -0.017 0.317) 1.988 1.771 ( 2.432 -1.723 -0.680) 3.058 1.780 ( 1.859 -4.184 -1.184) 4.729 2.034 ( 1.524 3.527 0.850) 3.935 2.079 ( 3.115 0.011 0.682) 3.189 2.130 ( -0.294 2.701 -0.841) 2.844 2.165 ( 0.498 0.292 -1.308) 1.430 2.222 ( -0.597 1.378 -0.088) 1.504 2.245 ( -2.335 0.367 2.249) 3.263 2.284 ( -0.426 0.499 -0.246) 0.701 2.304 ( -0.253 1.736 0.580) 1.848 2.355 ( -0.461 -2.414 -0.062) 2.459 2.373 ( -0.794 -1.659 -1.508) 2.378 2.403 ( -3.703 2.479 -0.130) 4.458 2.424 ( 1.002 2.513 1.398) 3.045 2.438 ( -4.305 -1.062 -1.362) 4.639 2.511 ( -0.484 -2.652 -0.020) 2.696 2.524 ( -0.317 -0.562 -0.138) 0.660 2.561 ( -2.341 -1.927 -2.027) 3.647 2.604 ( 0.441 1.867 0.188) 1.927 2.626 ( -0.653 -0.195 1.881) 2.001 2.683 ( -0.669 2.646 -1.062) 2.929 2.717 ( 2.551 0.154 2.061) 3.283 2.734 ( 2.670 -0.901 0.752) 2.916 2.742 ( -1.462 -1.600 -0.884) 2.341 2.791 ( -0.265 0.331 0.326) 0.535 2.798 ( -0.135 -0.041 -0.491) 0.511 2.834 ( 0.128 1.205 -2.385) 2.675 2.864 ( -0.433 -1.490 -1.013) 1.853 2.871 ( -1.093 0.546 0.952) 1.549 2.889 ( 0.056 -1.328 1.260) 1.831 2.913 ( 0.041 0.762 0.168) 0.781 2.936 ( -1.360 -1.300 2.071) 2.798 3.018 ( 2.576 1.593 1.305) 3.298 3.051 ( 3.016 -1.703 0.698) 3.533 3.108 ( 2.785 1.225 -2.663) 4.044 3.128 ( 1.266 -0.971 -2.362) 2.850 3.162 ( 1.183 0.737 2.655) 2.999 3.198 ( 0.929 -2.763 1.958) 3.512 3.258 ( -0.719 0.126 -0.569) 0.925 3.271 ( -0.589 -0.899 0.271) 1.108 3.296 ( 0.246 2.088 0.617) 2.191 3.318 ( 0.183 -0.159 0.788) 0.824 3.372 ( -1.519 1.247 1.505) 2.475 3.391 ( -0.710 -0.262 1.074) 1.314 3.403 ( 1.860 1.420 -2.106) 3.148 3.430 ( 1.218 -0.667 0.467) 1.465 3.439 ( 0.137 0.806 -1.445) 1.660 3.484 ( 0.385 -2.608 -0.898) 2.785 3.530 ( -0.236 0.458 0.503) 0.720 3.535 ( 0.890 -0.150 1.013) 1.357 3.651 ( -1.874 1.514 -0.669) 2.500 3.674 ( -1.752 -0.604 -1.221) 2.219 3.719 ( 0.693 1.559 0.307) 1.734 3.747 ( 0.282 -1.218 1.849) 2.232 3.806 ( -0.545 1.432 -1.959) 2.487 3.826 ( 0.295 -0.344 -2.146) 2.193 3.857 ( -0.625 -0.076 -1.231) 1.382 3.864 ( -0.186 -0.923 -1.081) 1.433 3.965 ( 1.016 1.250 1.167) 1.990 3.981 ( 1.352 -0.278 1.017) 1.714 4.082 ( -0.116 0.514 1.197) 1.308 4.086 ( -0.810 0.050 1.681) 1.867 4.231 ( -0.095 1.042 -0.991) 1.441 4.245 ( -0.024 -0.465 -0.350) 0.583 4.281 ( -0.210 0.032 0.222) 0.307 4.288 ( -0.493 -0.522 -0.165) 0.737 4.322 ( 0.990 0.675 -0.662) 1.369 4.337 ( 0.574 -0.798 -0.303) 1.029 4.456 ( 0.023 0.247 -0.260) 0.360 4.466 ( 0.468 -0.713 -0.451) 0.965 4.573 ( -0.277 0.183 0.188) 0.382 4.576 ( -0.117 -0.195 0.293) 0.371 4.675 ( -0.154 0.145 0.020) 0.212 4.681 ( -0.128 -0.415 0.217) 0.486 5.808 ( 1.775 -0.187 -2.335) 2.939 5.812 ( -0.395 -0.615 0.345) 0.808 5.819 ( -1.400 -0.432 2.643) 3.022 5.828 ( 0.810 -1.464 -0.389) 1.718 6.168 ( 0.177 0.303 -0.442) 0.565 6.173 ( -0.077 -0.086 0.003) 0.115 6.268 ( -0.461 0.494 -0.248) 0.720 6.280 ( -0.824 -0.763 0.579) 1.264 6.475 ( -0.647 0.654 0.108) 0.927 6.483 ( -0.045 -0.162 -0.725) 0.744 6.597 ( 0.152 1.253 0.721) 1.454 6.617 ( 0.494 -0.915 0.831) 1.331 6.669 ( -0.091 -0.221 0.424) 0.487 6.670 ( 0.659 -0.345 -0.501) 0.897 6.702 ( 0.106 0.155 -0.400) 0.442 6.706 ( -0.124 -0.162 -0.015) 0.205 7.092 ( -0.182 0.501 0.484) 0.720 7.100 ( 0.393 -0.318 0.229) 0.555 7.121 ( 0.130 0.169 -0.889) 0.914 7.127 ( -0.066 -0.473 -0.341) 0.587 7.290 ( 0.481 0.021 -0.128) 0.498 7.299 ( 0.964 -0.854 -0.279) 1.318 7.313 ( 0.960 -0.143 -0.070) 0.973 7.324 ( 1.002 -1.242 0.174) 1.605 7.436 ( -1.529 0.840 0.076) 1.746 7.455 ( -0.635 -0.971 0.006) 1.160 7.470 ( 0.194 -0.057 0.024) 0.203 7.477 ( -0.902 -1.045 0.803) 1.597 7.689 ( 0.561 0.424 -1.000) 1.223 7.696 ( 0.384 -0.300 -0.351) 0.601 7.740 ( -1.086 0.379 0.556) 1.278 7.751 ( -0.979 -0.635 0.712) 1.367 7.889 ( -1.112 0.155 -0.623) 1.284 7.894 ( -1.472 -0.262 -0.264) 1.519 7.988 ( 0.702 0.571 0.362) 0.974 7.997 ( 1.037 -0.358 -0.062) 1.099======================= Grid point 91 (44/44) =======================q-point: ( 0.40 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 71Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 1.182 6.009 0.783) 6.174 0.705 ( -3.465 0.981 -0.835) 3.696 0.732 ( 2.103 1.971 0.980) 3.045 0.753 ( 1.908 0.924 2.642) 3.387 0.779 ( -1.220 2.409 -1.233) 2.969 0.819 ( -1.712 0.099 -2.548) 3.071 0.907 ( -0.083 3.236 2.422) 4.043 0.921 ( -1.129 2.674 1.600) 3.314 0.955 ( 0.281 -0.848 1.439) 1.693 0.965 ( -2.139 0.610 1.475) 2.668 0.995 ( -3.536 0.713 -1.394) 3.867 1.028 ( -0.291 -1.815 -0.642) 1.947 1.068 ( -0.745 0.102 -0.603) 0.964 1.079 ( -2.434 -1.138 -1.724) 3.193 1.189 ( -0.135 0.372 2.217) 2.252 1.209 ( 0.555 -1.304 -1.048) 1.762 1.235 ( 0.184 -1.247 -0.246) 1.284 1.239 ( -0.288 -1.441 -0.230) 1.488 1.283 ( 1.479 1.559 -1.226) 2.474 1.290 ( 0.287 -0.373 -0.109) 0.484 1.313 ( 0.753 2.210 0.494) 2.386 1.335 ( -0.656 0.451 -0.104) 0.803 1.386 ( 0.778 0.255 0.869) 1.194 1.420 ( -1.298 -2.504 -0.059) 2.821 1.490 ( 3.361 2.107 -0.498) 3.998 1.527 ( 1.479 -0.231 -0.204) 1.510 1.552 ( 0.537 -0.160 1.560) 1.657 1.565 ( -1.644 0.380 2.244) 2.808 1.590 ( -0.065 0.177 -1.459) 1.472 1.611 ( -1.610 -1.218 0.192) 2.028 1.654 ( -1.212 -2.946 -0.099) 3.188 1.665 ( -1.512 -4.156 -0.900) 4.513 1.716 ( 2.354 1.922 -0.161) 3.043 1.757 ( -0.147 -1.124 -2.252) 2.521 1.792 ( 0.430 -1.943 0.448) 2.040 1.796 ( 1.248 -1.423 -1.023) 2.151 2.104 ( 4.398 2.768 1.622) 5.444 2.137 ( 1.976 3.083 -0.186) 3.666 2.139 ( 2.260 -0.616 0.339) 2.367 2.160 ( 0.515 1.676 -0.640) 1.866 2.215 ( -1.460 1.186 0.889) 2.080 2.228 ( -3.834 0.102 2.683) 4.681 2.248 ( 0.193 1.198 -2.400) 2.689 2.267 ( -4.490 -0.189 -1.796) 4.839 2.326 ( -0.539 1.483 2.273) 2.767 2.357 ( -0.991 0.804 -1.810) 2.215 2.358 ( -0.514 -1.317 0.304) 1.446 2.376 ( -1.559 -1.596 -1.308) 2.586 2.476 ( -1.868 0.791 1.671) 2.628 2.487 ( -0.537 -0.899 -2.908) 3.091 2.498 ( 3.750 -0.021 0.885) 3.854 2.547 ( -0.848 -3.534 0.985) 3.766 2.615 ( 0.764 1.689 -0.051) 1.855 2.639 ( -0.199 -0.207 -0.300) 0.415 2.658 ( -0.903 1.771 1.092) 2.269 2.699 ( -2.141 -1.108 -1.457) 2.817 2.757 ( 0.374 0.098 0.852) 0.936 2.767 ( 0.866 -0.892 -1.046) 1.624 2.779 ( -0.810 1.037 0.862) 1.573 2.786 ( -0.511 0.349 -0.217) 0.656 2.843 ( 2.312 0.305 -1.645) 2.854 2.857 ( 0.276 -0.166 -0.693) 0.764 2.873 ( 0.985 0.759 1.131) 1.681 2.898 ( -1.468 -1.557 1.370) 2.541 2.932 ( 1.002 0.018 0.903) 1.349 2.946 ( -0.806 -1.135 1.443) 2.005 3.046 ( 0.086 0.913 0.749) 1.184 3.062 ( 0.290 -0.608 -1.821) 1.942 3.135 ( 1.858 0.190 -0.183) 1.876 3.146 ( 1.714 -0.728 -1.054) 2.140 3.205 ( 1.327 0.365 0.782) 1.583 3.220 ( -0.198 -0.846 0.307) 0.922 3.253 ( 0.392 0.098 0.531) 0.667 3.266 ( -0.414 -0.924 0.184) 1.029 3.310 ( 0.290 1.468 0.579) 1.604 3.318 ( -0.693 0.682 0.197) 0.992 3.370 ( -0.993 1.449 1.683) 2.433 3.383 ( -0.022 1.781 -1.645) 2.424 3.426 ( 0.393 -1.284 3.085) 3.364 3.451 ( 1.817 -2.745 -1.660) 3.687 3.458 ( 2.154 1.119 0.595) 2.499 3.480 ( 0.930 -1.042 -0.719) 1.571 3.509 ( -1.686 0.603 -0.674) 1.913 3.529 ( -1.943 -0.834 -1.352) 2.510 3.633 ( -0.107 0.856 0.865) 1.222 3.646 ( -0.533 -0.383 -0.474) 0.810 3.731 ( 0.180 2.121 1.420) 2.558 3.765 ( -0.454 1.089 -1.700) 2.069 3.770 ( -0.432 -0.255 0.867) 1.001 3.797 ( -0.024 -0.712 -2.736) 2.828 3.843 ( 0.127 -0.334 -0.033) 0.358 3.851 ( -0.161 -1.133 -0.640) 1.311 4.002 ( 1.413 1.054 1.000) 2.027 4.012 ( 0.935 0.120 0.375) 1.015 4.076 ( -1.388 0.261 0.341) 1.453 4.077 ( -1.138 0.088 0.025) 1.142 4.247 ( 1.715 0.979 0.884) 2.163 4.260 ( 0.803 -0.319 0.833) 1.200 4.282 ( -0.140 -0.184 0.531) 0.579 4.285 ( 0.132 -0.466 0.342) 0.593 4.309 ( -0.608 0.429 -1.665) 1.823 4.319 ( -0.933 -0.644 -1.759) 2.093 4.461 ( 0.393 0.271 0.324) 0.577 4.468 ( 0.267 -0.365 -0.404) 0.606 4.574 ( 0.058 0.145 0.293) 0.332 4.578 ( -0.161 -0.208 0.146) 0.301 4.674 ( 0.067 -0.070 0.013) 0.098 4.678 ( -0.337 -0.441 0.022) 0.556 5.810 ( 1.564 -0.227 -1.938) 2.501 5.811 ( -0.898 -0.345 1.182) 1.524 5.828 ( -1.057 -0.795 2.054) 2.443 5.832 ( 0.853 -1.304 -1.163) 1.944 6.167 ( 0.301 0.154 -0.338) 0.478 6.170 ( -0.250 -0.061 0.057) 0.263 6.263 ( 0.125 0.397 -0.040) 0.418 6.270 ( -0.879 -0.321 0.278) 0.976 6.471 ( -0.235 0.319 0.343) 0.524 6.475 ( 0.029 -0.039 -0.560) 0.562 6.609 ( 0.353 0.869 0.598) 1.113 6.621 ( -0.452 -0.373 -0.055) 0.588 6.674 ( -0.246 -0.233 0.714) 0.790 6.675 ( 0.727 -0.365 -0.726) 1.090 6.701 ( 0.309 -0.048 -0.403) 0.510 6.703 ( -0.343 -0.210 0.218) 0.457 7.097 ( -0.137 0.467 0.870) 0.997 7.105 ( 0.153 -0.212 -0.515) 0.578 7.114 ( 0.130 0.125 -0.105) 0.209 7.120 ( 0.001 -0.352 -0.590) 0.687 7.302 ( 0.881 0.140 0.066) 0.894 7.310 ( 0.608 -0.561 -0.482) 0.957 7.329 ( 0.745 -0.288 0.005) 0.799 7.335 ( 0.065 -0.986 -0.009) 0.988 7.428 ( 0.053 1.113 1.119) 1.579 7.449 ( -0.408 -0.164 -0.187) 0.478 7.463 ( -1.207 -1.526 0.620) 2.042 7.468 ( -0.153 -1.033 -0.486) 1.151 7.685 ( 0.511 0.143 -0.880) 1.027 7.690 ( -0.196 -0.441 -0.627) 0.791 7.736 ( -0.567 0.280 0.932) 1.126 7.742 ( -0.716 -0.282 0.284) 0.820 7.871 ( -0.316 0.344 -0.285) 0.547 7.873 ( -0.709 0.232 -0.030) 0.747 8.002 ( 0.501 0.136 0.143) 0.539 8.006 ( 0.190 -0.302 -0.104) 0.372=================== 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 3/20160 10.0 2.826 4.748 4.049 0.000 0.078 0.000 3/20160 20.0 0.962 1.537 1.336 0.000 -0.013 0.000 3/20160 30.0 0.569 0.878 0.775 0.000 -0.020 0.000 3/20160 40.0 0.405 0.610 0.544 0.000 -0.019 0.000 3/20160 50.0 0.316 0.467 0.422 0.000 -0.017 0.000 3/20160 60.0 0.261 0.380 0.347 0.000 -0.016 0.000 3/20160 70.0 0.224 0.321 0.297 0.000 -0.015 0.000 3/20160 80.0 0.197 0.279 0.260 0.000 -0.014 0.000 3/20160 90.0 0.176 0.247 0.232 0.000 -0.013 0.000 3/20160 100.0 0.160 0.222 0.211 0.000 -0.013 0.000 3/20160 110.0 0.147 0.202 0.193 0.000 -0.012 0.000 3/20160 120.0 0.136 0.185 0.178 0.000 -0.012 0.000 3/20160 130.0 0.126 0.171 0.165 0.000 -0.011 0.000 3/20160 140.0 0.118 0.159 0.155 0.000 -0.011 0.000 3/20160 150.0 0.111 0.149 0.145 0.000 -0.011 0.000 3/20160 160.0 0.105 0.140 0.137 0.000 -0.010 0.000 3/20160 170.0 0.099 0.132 0.129 0.000 -0.010 0.000 3/20160 180.0 0.094 0.125 0.123 0.000 -0.010 0.000 3/20160 190.0 0.090 0.118 0.117 0.000 -0.009 0.000 3/20160 200.0 0.085 0.112 0.111 0.000 -0.009 0.000 3/20160 210.0 0.082 0.107 0.106 0.000 -0.009 0.000 3/20160 220.0 0.078 0.102 0.102 0.000 -0.008 0.000 3/20160 230.0 0.075 0.098 0.098 0.000 -0.008 0.000 3/20160 240.0 0.072 0.094 0.094 0.000 -0.008 0.000 3/20160 250.0 0.070 0.091 0.090 0.000 -0.008 0.000 3/20160 260.0 0.067 0.087 0.087 0.000 -0.007 0.000 3/20160 270.0 0.065 0.084 0.084 0.000 -0.007 0.000 3/20160 280.0 0.063 0.081 0.081 0.000 -0.007 0.000 3/20160 290.0 0.061 0.078 0.079 0.000 -0.007 0.000 3/20160 300.0 0.059 0.076 0.076 0.000 -0.007 0.000 3/20160 310.0 0.057 0.073 0.074 0.000 -0.006 0.000 3/20160 320.0 0.055 0.071 0.072 0.000 -0.006 0.000 3/20160 330.0 0.054 0.069 0.070 0.000 -0.006 0.000 3/20160 340.0 0.052 0.067 0.068 0.000 -0.006 0.000 3/20160 350.0 0.051 0.065 0.066 0.000 -0.006 0.000 3/20160 360.0 0.049 0.063 0.064 0.000 -0.006 0.000 3/20160 370.0 0.048 0.062 0.062 0.000 -0.006 0.000 3/20160 380.0 0.047 0.060 0.061 0.000 -0.005 0.000 3/20160 390.0 0.046 0.059 0.059 0.000 -0.005 0.000 3/20160 400.0 0.045 0.057 0.058 0.000 -0.005 0.000 3/20160 410.0 0.044 0.056 0.056 0.000 -0.005 0.000 3/20160 420.0 0.043 0.055 0.055 0.000 -0.005 0.000 3/20160 430.0 0.042 0.053 0.054 0.000 -0.005 0.000 3/20160 440.0 0.041 0.052 0.053 0.000 -0.005 0.000 3/20160 450.0 0.040 0.051 0.052 0.000 -0.005 0.000 3/20160 460.0 0.039 0.050 0.051 0.000 -0.005 0.000 3/20160 470.0 0.038 0.049 0.049 0.000 -0.005 0.000 3/20160 480.0 0.038 0.048 0.048 0.000 -0.004 0.000 3/20160 490.0 0.037 0.047 0.048 0.000 -0.004 0.000 3/20160 500.0 0.036 0.046 0.047 0.000 -0.004 0.000 3/20160 510.0 0.035 0.045 0.046 0.000 -0.004 0.000 3/20160 520.0 0.035 0.044 0.045 0.000 -0.004 0.000 3/20160 530.0 0.034 0.043 0.044 0.000 -0.004 0.000 3/20160 540.0 0.034 0.043 0.043 0.000 -0.004 0.000 3/20160 550.0 0.033 0.042 0.043 0.000 -0.004 0.000 3/20160 560.0 0.032 0.041 0.042 0.000 -0.004 0.000 3/20160 570.0 0.032 0.040 0.041 0.000 -0.004 0.000 3/20160 580.0 0.031 0.040 0.040 0.000 -0.004 0.000 3/20160 590.0 0.031 0.039 0.040 0.000 -0.004 0.000 3/20160 600.0 0.030 0.038 0.039 0.000 -0.004 0.000 3/20160 610.0 0.030 0.038 0.038 0.000 -0.004 0.000 3/20160 620.0 0.029 0.037 0.038 0.000 -0.004 0.000 3/20160 630.0 0.029 0.037 0.037 0.000 -0.003 0.000 3/20160 640.0 0.028 0.036 0.037 0.000 -0.003 0.000 3/20160 650.0 0.028 0.035 0.036 0.000 -0.003 0.000 3/20160 660.0 0.028 0.035 0.036 0.000 -0.003 0.000 3/20160 670.0 0.027 0.034 0.035 0.000 -0.003 0.000 3/20160 680.0 0.027 0.034 0.035 0.000 -0.003 0.000 3/20160 690.0 0.026 0.033 0.034 0.000 -0.003 0.000 3/20160 700.0 0.026 0.033 0.034 0.000 -0.003 0.000 3/20160 710.0 0.026 0.033 0.033 0.000 -0.003 0.000 3/20160 720.0 0.025 0.032 0.033 0.000 -0.003 0.000 3/20160 730.0 0.025 0.032 0.032 0.000 -0.003 0.000 3/20160 740.0 0.025 0.031 0.032 0.000 -0.003 0.000 3/20160 750.0 0.024 0.031 0.031 0.000 -0.003 0.000 3/20160 760.0 0.024 0.030 0.031 0.000 -0.003 0.000 3/20160 770.0 0.024 0.030 0.031 0.000 -0.003 0.000 3/20160 780.0 0.023 0.030 0.030 0.000 -0.003 0.000 3/20160 790.0 0.023 0.029 0.030 0.000 -0.003 0.000 3/20160 800.0 0.023 0.029 0.029 0.000 -0.003 0.000 3/20160 810.0 0.023 0.029 0.029 0.000 -0.003 0.000 3/20160 820.0 0.022 0.028 0.029 0.000 -0.003 0.000 3/20160 830.0 0.022 0.028 0.028 0.000 -0.003 0.000 3/20160 840.0 0.022 0.028 0.028 0.000 -0.003 0.000 3/20160 850.0 0.022 0.027 0.028 0.000 -0.003 0.000 3/20160 860.0 0.021 0.027 0.027 0.000 -0.003 0.000 3/20160 870.0 0.021 0.027 0.027 0.000 -0.003 0.000 3/20160 880.0 0.021 0.026 0.027 0.000 -0.003 0.000 3/20160 890.0 0.021 0.026 0.027 0.000 -0.003 0.000 3/20160 900.0 0.020 0.026 0.026 0.000 -0.002 0.000 3/20160 910.0 0.020 0.025 0.026 0.000 -0.002 0.000 3/20160 920.0 0.020 0.025 0.026 0.000 -0.002 0.000 3/20160 930.0 0.020 0.025 0.025 0.000 -0.002 0.000 3/20160 940.0 0.020 0.025 0.025 0.000 -0.002 0.000 3/20160 950.0 0.019 0.024 0.025 0.000 -0.002 0.000 3/20160 960.0 0.019 0.024 0.025 0.000 -0.002 0.000 3/20160 970.0 0.019 0.024 0.024 0.000 -0.002 0.000 3/20160 980.0 0.019 0.024 0.024 0.000 -0.002 0.000 3/20160 990.0 0.019 0.023 0.024 0.000 -0.002 0.000 3/20160 1000.0 0.018 0.023 0.024 0.000 -0.002 0.000 3/20160Thermal conductivity related properties were written into "kappa-m574.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:46:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|