----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:40:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.478239930120665 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 *2 Na 0.96425142514351 0.28910528717022 0.06778910913268 22.990 3 Na 0.03574857485649 0.71089471282978 0.93221089086732 22.990 4 Na 0.96425142514351 0.21089471282978 0.56778910913268 22.990 5 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 6 Na 0.03574857485649 0.78910528717022 0.43221089086732 22.990 *7 Sb 0.47610063602560 0.75885100983340 0.24654431913778 121.760 8 Sb 0.47610063602560 0.74114899016660 0.74654431913778 121.760 9 Sb 0.52389936397440 0.24114899016660 0.75345568086222 121.760 10 Sb 0.52389936397440 0.25885100983340 0.25345568086221 121.760 *11 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 12 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 *13 As 0.08450793581638 0.23501090316881 0.83919889147284 74.922 14 As 0.08450793581638 0.26498909683119 0.33919889147284 74.922 15 As 0.91549206418361 0.73501090316881 0.66080110852716 74.922 16 As 0.91549206418361 0.76498909683119 0.16080110852716 74.922 *17 O 0.57179422945206 0.00495545109091 0.30361404619852 15.999 *18 O 0.18289243852755 0.46931216519806 0.40539141465827 15.999 *19 O 0.79450611016174 0.72223958992187 0.26188604260087 15.999 *20 O 0.89059803197296 0.90231301191690 0.57048297182680 15.999 *21 O 0.83072696336226 0.18738933360855 0.75453837113763 15.999 *22 O 0.46354960634268 0.20471131992867 0.09389686553565 15.999 23 O 0.18289243852755 0.03068783480194 0.90539141465827 15.999 24 O 0.81710756147245 0.96931216519806 0.09460858534173 15.999 25 O 0.10940196802704 0.40231301191690 0.92951702817320 15.999 *26 O 0.60410752925869 0.19072582778647 0.91668280877410 15.999 27 O 0.16927303663774 0.68738933360855 0.74546162886237 15.999 28 O 0.83072696336226 0.31261066639145 0.25453837113763 15.999 29 O 0.20549388983826 0.22223958992187 0.23811395739913 15.999 30 O 0.10940196802704 0.09768698808310 0.42951702817319 15.999 31 O 0.42820577054794 0.99504454890909 0.69638595380148 15.999 32 O 0.81710756147245 0.53068783480194 0.59460858534173 15.999 33 O 0.53645039365732 0.79528868007133 0.90610313446435 15.999 34 O 0.42820577054794 0.50495545109091 0.19638595380148 15.999 35 O 0.60410752925869 0.30927417221353 0.41668280877410 15.999 36 O 0.89059803197296 0.59768698808310 0.07048297182681 15.999 37 O 0.79450611016174 0.77776041007813 0.76188604260087 15.999 38 O 0.39589247074131 0.69072582778647 0.58331719122590 15.999 39 O 0.20549388983826 0.27776041007813 0.73811395739913 15.999 40 O 0.53645039365732 0.70471131992867 0.40610313446435 15.999 41 O 0.57179422945206 0.49504454890909 0.80361404619852 15.999 42 O 0.46354960634268 0.29528868007133 0.59389686553565 15.999 43 O 0.39589247074131 0.80927417221353 0.08331719122590 15.999 44 O 0.16927303663774 0.81261066639145 0.24546162886237 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.478239930120665 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): *1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 1 *2 Na 0.96425142514351 0.28910528717022 0.06778910913268 22.990 > 2 3 Na 0.03574857485649 0.71089471282978 0.93221089086732 22.990 > 3 4 Na 0.96425142514351 0.21089471282978 0.56778910913268 22.990 > 4 5 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 5 6 Na 0.03574857485649 0.78910528717022 0.43221089086732 22.990 > 6 *7 Sb 0.47610063602560 0.75885100983340 0.24654431913778 121.760 > 7 8 Sb 0.47610063602560 0.74114899016660 0.74654431913778 121.760 > 8 9 Sb 0.52389936397440 0.24114899016660 0.75345568086222 121.760 > 9 10 Sb 0.52389936397440 0.25885100983340 0.25345568086221 121.760 > 10 *11 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 11 12 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 12 *13 As 0.08450793581638 0.23501090316881 0.83919889147284 74.922 > 13 14 As 0.08450793581638 0.26498909683119 0.33919889147284 74.922 > 14 15 As 0.91549206418361 0.73501090316881 0.66080110852716 74.922 > 15 16 As 0.91549206418361 0.76498909683119 0.16080110852716 74.922 > 16 *17 O 0.57179422945206 0.00495545109091 0.30361404619852 15.999 > 17 *18 O 0.18289243852755 0.46931216519806 0.40539141465827 15.999 > 18 *19 O 0.79450611016174 0.72223958992187 0.26188604260087 15.999 > 19 *20 O 0.89059803197296 0.90231301191690 0.57048297182680 15.999 > 20 *21 O 0.83072696336226 0.18738933360855 0.75453837113763 15.999 > 21 *22 O 0.46354960634268 0.20471131992867 0.09389686553565 15.999 > 22 23 O 0.18289243852755 0.03068783480194 0.90539141465827 15.999 > 23 24 O 0.81710756147245 0.96931216519806 0.09460858534173 15.999 > 24 25 O 0.10940196802704 0.40231301191690 0.92951702817320 15.999 > 25 *26 O 0.60410752925869 0.19072582778647 0.91668280877410 15.999 > 26 27 O 0.16927303663774 0.68738933360855 0.74546162886237 15.999 > 27 28 O 0.83072696336226 0.31261066639145 0.25453837113763 15.999 > 28 29 O 0.20549388983826 0.22223958992187 0.23811395739913 15.999 > 29 30 O 0.10940196802704 0.09768698808310 0.42951702817319 15.999 > 30 31 O 0.42820577054794 0.99504454890909 0.69638595380148 15.999 > 31 32 O 0.81710756147245 0.53068783480194 0.59460858534173 15.999 > 32 33 O 0.53645039365732 0.79528868007133 0.90610313446435 15.999 > 33 34 O 0.42820577054794 0.50495545109091 0.19638595380148 15.999 > 34 35 O 0.60410752925869 0.30927417221353 0.41668280877410 15.999 > 35 36 O 0.89059803197296 0.59768698808310 0.07048297182681 15.999 > 36 37 O 0.79450611016174 0.77776041007813 0.76188604260087 15.999 > 37 38 O 0.39589247074131 0.69072582778647 0.58331719122590 15.999 > 38 39 O 0.20549388983826 0.27776041007813 0.73811395739913 15.999 > 39 40 O 0.53645039365732 0.70471131992867 0.40610313446435 15.999 > 40 41 O 0.57179422945206 0.49504454890909 0.80361404619852 15.999 > 41 42 O 0.46354960634268 0.29528868007133 0.59389686553565 15.999 > 42 43 O 0.39589247074131 0.80927417221353 0.08331719122590 15.999 > 43 44 O 0.16927303663774 0.81261066639145 0.24546162886237 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.956479860241330 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): *1 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 *3 Na 0.48212571257176 0.28910528717022 0.06778910913268 22.990 > 2 4 Na 0.98212571257176 0.28910528717022 0.06778910913268 22.990 > 2 5 Na 0.01787428742824 0.71089471282978 0.93221089086732 22.990 > 3 6 Na 0.51787428742824 0.71089471282978 0.93221089086732 22.990 > 3 7 Na 0.48212571257176 0.21089471282978 0.56778910913268 22.990 > 4 8 Na 0.98212571257176 0.21089471282978 0.56778910913268 22.990 > 4 9 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 5 10 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 5 11 Na 0.01787428742824 0.78910528717022 0.43221089086732 22.990 > 6 12 Na 0.51787428742824 0.78910528717022 0.43221089086732 22.990 > 6 *13 Sb 0.23805031801280 0.75885100983340 0.24654431913778 121.760 > 7 14 Sb 0.73805031801280 0.75885100983340 0.24654431913778 121.760 > 7 15 Sb 0.23805031801280 0.74114899016660 0.74654431913778 121.760 > 8 16 Sb 0.73805031801280 0.74114899016660 0.74654431913778 121.760 > 8 17 Sb 0.26194968198720 0.24114899016660 0.75345568086222 121.760 > 9 18 Sb 0.76194968198720 0.24114899016660 0.75345568086222 121.760 > 9 19 Sb 0.26194968198720 0.25885100983340 0.25345568086221 121.760 > 10 20 Sb 0.76194968198720 0.25885100983340 0.25345568086221 121.760 > 10 *21 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 11 22 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 11 23 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 12 24 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 12 *25 As 0.04225396790819 0.23501090316881 0.83919889147284 74.922 > 13 26 As 0.54225396790819 0.23501090316881 0.83919889147284 74.922 > 13 27 As 0.04225396790819 0.26498909683119 0.33919889147284 74.922 > 14 28 As 0.54225396790819 0.26498909683119 0.33919889147284 74.922 > 14 29 As 0.45774603209181 0.73501090316881 0.66080110852716 74.922 > 15 30 As 0.95774603209181 0.73501090316881 0.66080110852716 74.922 > 15 31 As 0.45774603209181 0.76498909683119 0.16080110852716 74.922 > 16 32 As 0.95774603209181 0.76498909683119 0.16080110852716 74.922 > 16 *33 O 0.28589711472603 0.00495545109091 0.30361404619852 15.999 > 17 34 O 0.78589711472603 0.00495545109091 0.30361404619852 15.999 > 17 *35 O 0.09144621926378 0.46931216519806 0.40539141465827 15.999 > 18 36 O 0.59144621926378 0.46931216519806 0.40539141465827 15.999 > 18 *37 O 0.39725305508087 0.72223958992187 0.26188604260087 15.999 > 19 38 O 0.89725305508087 0.72223958992187 0.26188604260087 15.999 > 19 *39 O 0.44529901598648 0.90231301191690 0.57048297182680 15.999 > 20 40 O 0.94529901598648 0.90231301191690 0.57048297182680 15.999 > 20 *41 O 0.41536348168113 0.18738933360855 0.75453837113763 15.999 > 21 42 O 0.91536348168113 0.18738933360855 0.75453837113763 15.999 > 21 *43 O 0.23177480317134 0.20471131992867 0.09389686553565 15.999 > 22 44 O 0.73177480317134 0.20471131992867 0.09389686553565 15.999 > 22 45 O 0.09144621926378 0.03068783480194 0.90539141465827 15.999 > 23 46 O 0.59144621926378 0.03068783480194 0.90539141465827 15.999 > 23 47 O 0.40855378073622 0.96931216519806 0.09460858534173 15.999 > 24 48 O 0.90855378073622 0.96931216519806 0.09460858534173 15.999 > 24 49 O 0.05470098401352 0.40231301191690 0.92951702817320 15.999 > 25 50 O 0.55470098401352 0.40231301191690 0.92951702817320 15.999 > 25 *51 O 0.30205376462935 0.19072582778647 0.91668280877410 15.999 > 26 52 O 0.80205376462935 0.19072582778647 0.91668280877410 15.999 > 26 53 O 0.08463651831887 0.68738933360855 0.74546162886237 15.999 > 27 54 O 0.58463651831887 0.68738933360855 0.74546162886237 15.999 > 27 55 O 0.41536348168113 0.31261066639145 0.25453837113763 15.999 > 28 56 O 0.91536348168113 0.31261066639145 0.25453837113763 15.999 > 28 57 O 0.10274694491913 0.22223958992187 0.23811395739913 15.999 > 29 58 O 0.60274694491913 0.22223958992187 0.23811395739913 15.999 > 29 59 O 0.05470098401352 0.09768698808310 0.42951702817319 15.999 > 30 60 O 0.55470098401352 0.09768698808310 0.42951702817319 15.999 > 30 61 O 0.21410288527397 0.99504454890909 0.69638595380148 15.999 > 31 62 O 0.71410288527397 0.99504454890909 0.69638595380148 15.999 > 31 63 O 0.40855378073622 0.53068783480194 0.59460858534173 15.999 > 32 64 O 0.90855378073622 0.53068783480194 0.59460858534173 15.999 > 32 65 O 0.26822519682866 0.79528868007133 0.90610313446435 15.999 > 33 66 O 0.76822519682866 0.79528868007133 0.90610313446435 15.999 > 33 67 O 0.21410288527397 0.50495545109091 0.19638595380148 15.999 > 34 68 O 0.71410288527397 0.50495545109091 0.19638595380148 15.999 > 34 69 O 0.30205376462935 0.30927417221353 0.41668280877410 15.999 > 35 70 O 0.80205376462935 0.30927417221353 0.41668280877410 15.999 > 35 71 O 0.44529901598648 0.59768698808310 0.07048297182681 15.999 > 36 72 O 0.94529901598648 0.59768698808310 0.07048297182681 15.999 > 36 73 O 0.39725305508087 0.77776041007813 0.76188604260087 15.999 > 37 74 O 0.89725305508087 0.77776041007813 0.76188604260087 15.999 > 37 75 O 0.19794623537065 0.69072582778647 0.58331719122590 15.999 > 38 76 O 0.69794623537065 0.69072582778647 0.58331719122590 15.999 > 38 77 O 0.10274694491913 0.27776041007813 0.73811395739913 15.999 > 39 78 O 0.60274694491913 0.27776041007813 0.73811395739913 15.999 > 39 79 O 0.26822519682866 0.70471131992867 0.40610313446435 15.999 > 40 80 O 0.76822519682866 0.70471131992867 0.40610313446435 15.999 > 40 81 O 0.28589711472603 0.49504454890909 0.80361404619852 15.999 > 41 82 O 0.78589711472603 0.49504454890909 0.80361404619852 15.999 > 41 83 O 0.23177480317134 0.29528868007133 0.59389686553565 15.999 > 42 84 O 0.73177480317134 0.29528868007133 0.59389686553565 15.999 > 42 85 O 0.19794623537065 0.80927417221353 0.08331719122590 15.999 > 43 86 O 0.69794623537065 0.80927417221353 0.08331719122590 15.999 > 43 87 O 0.08463651831887 0.81261066639145 0.24546162886237 15.999 > 44 88 O 0.58463651831887 0.81261066639145 0.24546162886237 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5844929 0.0000000 -0.0386988 0.0000000 3.5063160 0.0000000 -0.0386979 0.0000000 3.5403389 -------------------------- Born effective charges -------------------------- 1 Na 0.9586187 -0.0475546 0.0211292 -0.1635274 1.3033887 -0.0550041 -0.0095708 -0.0038147 1.2823426 2 Na 1.1678820 0.0389490 -0.0015834 0.0377919 1.1598607 0.0701735 -0.0207835 0.0330203 1.2639721 3 Na 1.1678820 0.0389490 -0.0015834 0.0377919 1.1598607 0.0701735 -0.0207835 0.0330203 1.2639721 4 Na 1.1678820 -0.0389490 -0.0015834 -0.0377919 1.1598607 -0.0701735 -0.0207835 -0.0330203 1.2639721 5 Na 0.9586187 0.0475546 0.0211292 0.1635274 1.3033887 0.0550041 -0.0095708 0.0038147 1.2823426 6 Na 1.1678820 -0.0389490 -0.0015834 -0.0377919 1.1598607 -0.0701735 -0.0207835 -0.0330203 1.2639721 7 Sb 5.1991230 -0.4027256 -0.6654091 0.5088166 5.2822042 -0.5238285 -0.0854646 -0.5566333 4.4839012 8 Sb 5.1991230 0.4027256 -0.6654091 -0.5088166 5.2822042 0.5238285 -0.0854646 0.5566333 4.4839012 9 Sb 5.1991230 -0.4027256 -0.6654091 0.5088166 5.2822042 -0.5238285 -0.0854646 -0.5566333 4.4839012 10 Sb 5.1991230 0.4027256 -0.6654091 -0.5088166 5.2822042 0.5238285 -0.0854646 0.5566333 4.4839012 11 Sb 4.1393194 -0.0527925 0.2346424 -0.8371656 4.3840505 -0.5898738 -0.4152531 0.2382774 5.7805676 12 Sb 4.1393194 0.0527925 0.2346424 0.8371656 4.3840505 0.5898738 -0.4152531 -0.2382774 5.7805676 13 As 4.1532965 -0.2241905 0.4469325 -0.2429711 2.9562269 -0.1362340 0.2051387 -0.4665254 3.1616650 14 As 4.1532965 0.2241905 0.4469325 0.2429711 2.9562269 0.1362340 0.2051387 0.4665254 3.1616650 15 As 4.1532965 0.2241905 0.4469325 0.2429711 2.9562269 0.1362340 0.2051387 0.4665254 3.1616650 16 As 4.1532965 -0.2241905 0.4469325 -0.2429711 2.9562269 -0.1362340 0.2051387 -0.4665254 3.1616650 17 O -1.2239016 -0.1037689 0.0959732 -0.2006102 -3.1112976 -0.0800624 0.0043967 -0.2193340 -1.3405979 18 O -1.8151522 -0.5171075 -0.6391589 -0.5091816 -1.8247396 -0.5779749 -0.5779788 -0.6147127 -1.7148709 19 O -2.7681617 0.0319326 0.5928700 -0.0363982 -1.1327743 0.1362618 0.5949001 0.1695443 -1.4718911 20 O -1.2726631 -0.1320338 0.0209865 -0.0912490 -1.5426467 0.3282890 -0.0007349 0.2130522 -1.3798942 21 O -3.2465537 0.0266154 -0.7532404 0.0920323 -1.0696857 0.0017490 -0.6140448 -0.0260958 -1.3262859 22 O -1.2457360 0.1807326 0.3598104 0.3135769 -1.8312179 -0.6784303 0.3785452 -0.7344241 -2.7047661 23 O -1.8151522 0.5171075 -0.6391589 0.5091816 -1.8247396 0.5779749 -0.5779788 0.6147127 -1.7148709 24 O -1.8151522 0.5171075 -0.6391589 0.5091816 -1.8247396 0.5779749 -0.5779788 0.6147127 -1.7148709 25 O -1.2726631 0.1320338 0.0209865 0.0912490 -1.5426467 -0.3282890 -0.0007349 -0.2130522 -1.3798942 26 O -1.4971022 -0.3143722 0.4149335 -0.3162482 -1.7296499 0.6214981 0.3284379 0.5293748 -2.5026871 27 O -3.2465537 -0.0266154 -0.7532404 -0.0920323 -1.0696857 -0.0017490 -0.6140448 0.0260958 -1.3262859 28 O -3.2465537 -0.0266154 -0.7532404 -0.0920323 -1.0696857 -0.0017490 -0.6140448 0.0260958 -1.3262859 29 O -2.7681617 -0.0319326 0.5928700 0.0363982 -1.1327743 -0.1362618 0.5949001 -0.1695443 -1.4718911 30 O -1.2726631 -0.1320338 0.0209865 -0.0912490 -1.5426467 0.3282890 -0.0007349 0.2130522 -1.3798942 31 O -1.2239016 -0.1037689 0.0959732 -0.2006102 -3.1112976 -0.0800624 0.0043967 -0.2193340 -1.3405979 32 O -1.8151522 -0.5171075 -0.6391589 -0.5091816 -1.8247396 -0.5779749 -0.5779788 -0.6147127 -1.7148709 33 O -1.2457360 0.1807326 0.3598104 0.3135769 -1.8312179 -0.6784303 0.3785452 -0.7344241 -2.7047661 34 O -1.2239016 0.1037689 0.0959732 0.2006102 -3.1112976 0.0800624 0.0043967 0.2193340 -1.3405979 35 O -1.4971022 0.3143722 0.4149335 0.3162482 -1.7296499 -0.6214981 0.3284379 -0.5293748 -2.5026871 36 O -1.2726631 0.1320338 0.0209865 0.0912490 -1.5426467 -0.3282890 -0.0007349 -0.2130522 -1.3798942 37 O -2.7681617 -0.0319326 0.5928700 0.0363982 -1.1327743 -0.1362618 0.5949001 -0.1695443 -1.4718911 38 O -1.4971022 0.3143722 0.4149335 0.3162482 -1.7296499 -0.6214981 0.3284379 -0.5293748 -2.5026871 39 O -2.7681617 0.0319326 0.5928700 -0.0363982 -1.1327743 0.1362618 0.5949001 0.1695443 -1.4718911 40 O -1.2457360 -0.1807326 0.3598104 -0.3135769 -1.8312179 0.6784303 0.3785452 0.7344241 -2.7047661 41 O -1.2239016 0.1037689 0.0959732 0.2006102 -3.1112976 0.0800624 0.0043967 0.2193340 -1.3405979 42 O -1.2457360 -0.1807326 0.3598104 -0.3135769 -1.8312179 0.6784303 0.3785452 0.7344241 -2.7047661 43 O -1.4971022 -0.3143722 0.4149335 -0.3162482 -1.7296499 0.6214981 0.3284379 0.5293748 -2.5026871 44 O -3.2465537 0.0266154 -0.7532404 0.0920323 -1.0696857 0.0017490 -0.6140448 -0.0260958 -1.3262859 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4524 Number of blocks in projector: 4524 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (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: 976 / 976 (1) 458 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (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: 976 / 976 (1) 458 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (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: 976 / 976 (1) 461 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 270 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 270 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 270 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4524, 4417), data: False |-- (532, 520), data: False |-- (532, 520), data: False |-- (532, 12), data: (532, 24) @ (24, 12) |-- (282, 270), data: True |-- (250, 238), data: True |-- (532, 520), data: False |-- (532, 520), data: False |-- (532, 12), data: (532, 24) @ (24, 12) |-- (282, 270), data: True |-- (250, 238), data: True |-- (532, 520), data: False |-- (532, 520), data: False |-- (532, 12), data: (532, 24) @ (24, 12) |-- (282, 270), data: True |-- (250, 238), data: True |-- (976, 953), data: False |-- (976, 15), data: (976, 38) @ (38, 15) |-- (476, 461), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (976, 952), data: False |-- (976, 18), data: (976, 42) @ (42, 18) |-- (476, 458), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (976, 952), data: False |-- (976, 18), data: (976, 42) @ (42, 18) |-- (476, 458), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1360 - Time: 0.890 Solver_block: 200 / 1360 - Time: 0.740 Solver_block: 300 / 1360 - Time: 0.737 Solver_block: 400 / 1360 - Time: 0.739 Solver_block: 500 / 1360 - Time: 0.742 Solver_block: 600 / 1360 - Time: 0.741 Solver_block: 700 / 1360 - Time: 0.736 Solver_block: 800 / 1360 - Time: 0.739 Solver_block: 900 / 1360 - Time: 0.738 Solver_block: 1000 / 1360 - Time: 0.739 Solver_block: 1100 / 1360 - Time: 0.742 Solver_block: 1200 / 1360 - Time: 0.738 Solver_block: 1300 / 1360 - Time: 0.738 Solver_block: 1360 / 1360 - Time: 0.531 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.577 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4524 Number of blocks in projector: 4524 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (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: 976 / 976 (1) 458 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (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: 976 / 976 (1) 458 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 976 Use submatrix version of eigh solver. (1) Block: 500 / 976 (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: 976 / 976 (1) 461 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 270 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 270 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 532 Use submatrix version of eigh solver. (1) Block: 532 / 532 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 270 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4524, 4417), data: False |-- (532, 520), data: False |-- (532, 520), data: False |-- (532, 12), data: (532, 24) @ (24, 12) |-- (282, 270), data: True |-- (250, 238), data: True |-- (532, 520), data: False |-- (532, 520), data: False |-- (532, 12), data: (532, 24) @ (24, 12) |-- (282, 270), data: True |-- (250, 238), data: True |-- (532, 520), data: False |-- (532, 520), data: False |-- (532, 12), data: (532, 24) @ (24, 12) |-- (282, 270), data: True |-- (250, 238), data: True |-- (976, 953), data: False |-- (976, 15), data: (976, 38) @ (38, 15) |-- (476, 461), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (976, 952), data: False |-- (976, 18), data: (976, 42) @ (42, 18) |-- (476, 458), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (976, 952), data: False |-- (976, 18), data: (976, 42) @ (42, 18) |-- (476, 458), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:41:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:41:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.478239930120665 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.96425142514351 0.28910528717022 0.06778910913268 22.990 3 Na 0.03574857485649 0.71089471282978 0.93221089086732 22.990 4 Na 0.96425142514351 0.21089471282978 0.56778910913268 22.990 5 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 6 Na 0.03574857485649 0.78910528717022 0.43221089086732 22.990 7 Sb 0.47610063602560 0.75885100983340 0.24654431913778 121.760 8 Sb 0.47610063602560 0.74114899016660 0.74654431913778 121.760 9 Sb 0.52389936397440 0.24114899016660 0.75345568086222 121.760 10 Sb 0.52389936397440 0.25885100983340 0.25345568086221 121.760 11 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 12 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 13 As 0.08450793581638 0.23501090316881 0.83919889147284 74.922 14 As 0.08450793581638 0.26498909683119 0.33919889147284 74.922 15 As 0.91549206418361 0.73501090316881 0.66080110852716 74.922 16 As 0.91549206418361 0.76498909683119 0.16080110852716 74.922 17 O 0.57179422945206 0.00495545109091 0.30361404619852 15.999 18 O 0.18289243852755 0.46931216519806 0.40539141465827 15.999 19 O 0.79450611016174 0.72223958992187 0.26188604260087 15.999 20 O 0.89059803197296 0.90231301191690 0.57048297182680 15.999 21 O 0.83072696336226 0.18738933360855 0.75453837113763 15.999 22 O 0.46354960634268 0.20471131992867 0.09389686553565 15.999 23 O 0.18289243852755 0.03068783480194 0.90539141465827 15.999 24 O 0.81710756147245 0.96931216519806 0.09460858534173 15.999 25 O 0.10940196802704 0.40231301191690 0.92951702817320 15.999 26 O 0.60410752925869 0.19072582778647 0.91668280877410 15.999 27 O 0.16927303663774 0.68738933360855 0.74546162886237 15.999 28 O 0.83072696336226 0.31261066639145 0.25453837113763 15.999 29 O 0.20549388983826 0.22223958992187 0.23811395739913 15.999 30 O 0.10940196802704 0.09768698808310 0.42951702817319 15.999 31 O 0.42820577054794 0.99504454890909 0.69638595380148 15.999 32 O 0.81710756147245 0.53068783480194 0.59460858534173 15.999 33 O 0.53645039365732 0.79528868007133 0.90610313446435 15.999 34 O 0.42820577054794 0.50495545109091 0.19638595380148 15.999 35 O 0.60410752925869 0.30927417221353 0.41668280877410 15.999 36 O 0.89059803197296 0.59768698808310 0.07048297182681 15.999 37 O 0.79450611016174 0.77776041007813 0.76188604260087 15.999 38 O 0.39589247074131 0.69072582778647 0.58331719122590 15.999 39 O 0.20549388983826 0.27776041007813 0.73811395739913 15.999 40 O 0.53645039365732 0.70471131992867 0.40610313446435 15.999 41 O 0.57179422945206 0.49504454890909 0.80361404619852 15.999 42 O 0.46354960634268 0.29528868007133 0.59389686553565 15.999 43 O 0.39589247074131 0.80927417221353 0.08331719122590 15.999 44 O 0.16927303663774 0.81261066639145 0.24546162886237 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.956479860241330 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.48212571257176 0.28910528717022 0.06778910913268 22.990 > 3 4 Na 0.98212571257176 0.28910528717022 0.06778910913268 22.990 > 3 5 Na 0.01787428742824 0.71089471282978 0.93221089086732 22.990 > 5 6 Na 0.51787428742824 0.71089471282978 0.93221089086732 22.990 > 5 7 Na 0.48212571257176 0.21089471282978 0.56778910913268 22.990 > 7 8 Na 0.98212571257176 0.21089471282978 0.56778910913268 22.990 > 7 9 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 9 10 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 9 11 Na 0.01787428742824 0.78910528717022 0.43221089086732 22.990 > 11 12 Na 0.51787428742824 0.78910528717022 0.43221089086732 22.990 > 11 13 Sb 0.23805031801280 0.75885100983340 0.24654431913778 121.760 > 13 14 Sb 0.73805031801280 0.75885100983340 0.24654431913778 121.760 > 13 15 Sb 0.23805031801280 0.74114899016660 0.74654431913778 121.760 > 15 16 Sb 0.73805031801280 0.74114899016660 0.74654431913778 121.760 > 15 17 Sb 0.26194968198720 0.24114899016660 0.75345568086222 121.760 > 17 18 Sb 0.76194968198720 0.24114899016660 0.75345568086222 121.760 > 17 19 Sb 0.26194968198720 0.25885100983340 0.25345568086221 121.760 > 19 20 Sb 0.76194968198720 0.25885100983340 0.25345568086221 121.760 > 19 21 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 21 22 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 21 23 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 23 24 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 23 25 As 0.04225396790819 0.23501090316881 0.83919889147284 74.922 > 25 26 As 0.54225396790819 0.23501090316881 0.83919889147284 74.922 > 25 27 As 0.04225396790819 0.26498909683119 0.33919889147284 74.922 > 27 28 As 0.54225396790819 0.26498909683119 0.33919889147284 74.922 > 27 29 As 0.45774603209181 0.73501090316881 0.66080110852716 74.922 > 29 30 As 0.95774603209181 0.73501090316881 0.66080110852716 74.922 > 29 31 As 0.45774603209181 0.76498909683119 0.16080110852716 74.922 > 31 32 As 0.95774603209181 0.76498909683119 0.16080110852716 74.922 > 31 33 O 0.28589711472603 0.00495545109091 0.30361404619852 15.999 > 33 34 O 0.78589711472603 0.00495545109091 0.30361404619852 15.999 > 33 35 O 0.09144621926378 0.46931216519806 0.40539141465827 15.999 > 35 36 O 0.59144621926378 0.46931216519806 0.40539141465827 15.999 > 35 37 O 0.39725305508087 0.72223958992187 0.26188604260087 15.999 > 37 38 O 0.89725305508087 0.72223958992187 0.26188604260087 15.999 > 37 39 O 0.44529901598648 0.90231301191690 0.57048297182680 15.999 > 39 40 O 0.94529901598648 0.90231301191690 0.57048297182680 15.999 > 39 41 O 0.41536348168113 0.18738933360855 0.75453837113763 15.999 > 41 42 O 0.91536348168113 0.18738933360855 0.75453837113763 15.999 > 41 43 O 0.23177480317134 0.20471131992867 0.09389686553565 15.999 > 43 44 O 0.73177480317134 0.20471131992867 0.09389686553565 15.999 > 43 45 O 0.09144621926378 0.03068783480194 0.90539141465827 15.999 > 45 46 O 0.59144621926378 0.03068783480194 0.90539141465827 15.999 > 45 47 O 0.40855378073622 0.96931216519806 0.09460858534173 15.999 > 47 48 O 0.90855378073622 0.96931216519806 0.09460858534173 15.999 > 47 49 O 0.05470098401352 0.40231301191690 0.92951702817320 15.999 > 49 50 O 0.55470098401352 0.40231301191690 0.92951702817320 15.999 > 49 51 O 0.30205376462935 0.19072582778647 0.91668280877410 15.999 > 51 52 O 0.80205376462935 0.19072582778647 0.91668280877410 15.999 > 51 53 O 0.08463651831887 0.68738933360855 0.74546162886237 15.999 > 53 54 O 0.58463651831887 0.68738933360855 0.74546162886237 15.999 > 53 55 O 0.41536348168113 0.31261066639145 0.25453837113763 15.999 > 55 56 O 0.91536348168113 0.31261066639145 0.25453837113763 15.999 > 55 57 O 0.10274694491913 0.22223958992187 0.23811395739913 15.999 > 57 58 O 0.60274694491913 0.22223958992187 0.23811395739913 15.999 > 57 59 O 0.05470098401352 0.09768698808310 0.42951702817319 15.999 > 59 60 O 0.55470098401352 0.09768698808310 0.42951702817319 15.999 > 59 61 O 0.21410288527397 0.99504454890909 0.69638595380148 15.999 > 61 62 O 0.71410288527397 0.99504454890909 0.69638595380148 15.999 > 61 63 O 0.40855378073622 0.53068783480194 0.59460858534173 15.999 > 63 64 O 0.90855378073622 0.53068783480194 0.59460858534173 15.999 > 63 65 O 0.26822519682866 0.79528868007133 0.90610313446435 15.999 > 65 66 O 0.76822519682866 0.79528868007133 0.90610313446435 15.999 > 65 67 O 0.21410288527397 0.50495545109091 0.19638595380148 15.999 > 67 68 O 0.71410288527397 0.50495545109091 0.19638595380148 15.999 > 67 69 O 0.30205376462935 0.30927417221353 0.41668280877410 15.999 > 69 70 O 0.80205376462935 0.30927417221353 0.41668280877410 15.999 > 69 71 O 0.44529901598648 0.59768698808310 0.07048297182681 15.999 > 71 72 O 0.94529901598648 0.59768698808310 0.07048297182681 15.999 > 71 73 O 0.39725305508087 0.77776041007813 0.76188604260087 15.999 > 73 74 O 0.89725305508087 0.77776041007813 0.76188604260087 15.999 > 73 75 O 0.19794623537065 0.69072582778647 0.58331719122590 15.999 > 75 76 O 0.69794623537065 0.69072582778647 0.58331719122590 15.999 > 75 77 O 0.10274694491913 0.27776041007813 0.73811395739913 15.999 > 77 78 O 0.60274694491913 0.27776041007813 0.73811395739913 15.999 > 77 79 O 0.26822519682866 0.70471131992867 0.40610313446435 15.999 > 79 80 O 0.76822519682866 0.70471131992867 0.40610313446435 15.999 > 79 81 O 0.28589711472603 0.49504454890909 0.80361404619852 15.999 > 81 82 O 0.78589711472603 0.49504454890909 0.80361404619852 15.999 > 81 83 O 0.23177480317134 0.29528868007133 0.59389686553565 15.999 > 83 84 O 0.73177480317134 0.29528868007133 0.59389686553565 15.999 > 83 85 O 0.19794623537065 0.80927417221353 0.08331719122590 15.999 > 85 86 O 0.69794623537065 0.80927417221353 0.08331719122590 15.999 > 85 87 O 0.08463651831887 0.81261066639145 0.24546162886237 15.999 > 87 88 O 0.58463651831887 0.81261066639145 0.24546162886237 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5844929 0.0000000 -0.0386988 0.0000000 3.5063160 0.0000000 -0.0386979 0.0000000 3.5403389 -------------------------- Born effective charges -------------------------- 1 Na 0.9586187 -0.0475546 0.0211292 -0.1635274 1.3033887 -0.0550041 -0.0095708 -0.0038147 1.2823426 2 Na 1.1678820 0.0389490 -0.0015834 0.0377919 1.1598607 0.0701735 -0.0207835 0.0330203 1.2639721 3 Na 1.1678820 0.0389490 -0.0015834 0.0377919 1.1598607 0.0701735 -0.0207835 0.0330203 1.2639721 4 Na 1.1678820 -0.0389490 -0.0015834 -0.0377919 1.1598607 -0.0701735 -0.0207835 -0.0330203 1.2639721 5 Na 0.9586187 0.0475546 0.0211292 0.1635274 1.3033887 0.0550041 -0.0095708 0.0038147 1.2823426 6 Na 1.1678820 -0.0389490 -0.0015834 -0.0377919 1.1598607 -0.0701735 -0.0207835 -0.0330203 1.2639721 7 Sb 5.1991230 -0.4027256 -0.6654091 0.5088166 5.2822042 -0.5238285 -0.0854646 -0.5566333 4.4839012 8 Sb 5.1991230 0.4027256 -0.6654091 -0.5088166 5.2822042 0.5238285 -0.0854646 0.5566333 4.4839012 9 Sb 5.1991230 -0.4027256 -0.6654091 0.5088166 5.2822042 -0.5238285 -0.0854646 -0.5566333 4.4839012 10 Sb 5.1991230 0.4027256 -0.6654091 -0.5088166 5.2822042 0.5238285 -0.0854646 0.5566333 4.4839012 11 Sb 4.1393194 -0.0527925 0.2346424 -0.8371656 4.3840505 -0.5898738 -0.4152531 0.2382774 5.7805676 12 Sb 4.1393194 0.0527925 0.2346424 0.8371656 4.3840505 0.5898738 -0.4152531 -0.2382774 5.7805676 13 As 4.1532965 -0.2241905 0.4469325 -0.2429711 2.9562269 -0.1362340 0.2051387 -0.4665254 3.1616650 14 As 4.1532965 0.2241905 0.4469325 0.2429711 2.9562269 0.1362340 0.2051387 0.4665254 3.1616650 15 As 4.1532965 0.2241905 0.4469325 0.2429711 2.9562269 0.1362340 0.2051387 0.4665254 3.1616650 16 As 4.1532965 -0.2241905 0.4469325 -0.2429711 2.9562269 -0.1362340 0.2051387 -0.4665254 3.1616650 17 O -1.2239016 -0.1037689 0.0959732 -0.2006102 -3.1112976 -0.0800624 0.0043967 -0.2193340 -1.3405979 18 O -1.8151522 -0.5171075 -0.6391589 -0.5091816 -1.8247396 -0.5779749 -0.5779788 -0.6147127 -1.7148709 19 O -2.7681617 0.0319326 0.5928700 -0.0363982 -1.1327743 0.1362618 0.5949001 0.1695443 -1.4718911 20 O -1.2726631 -0.1320338 0.0209865 -0.0912490 -1.5426467 0.3282890 -0.0007349 0.2130522 -1.3798942 21 O -3.2465537 0.0266154 -0.7532404 0.0920323 -1.0696857 0.0017490 -0.6140448 -0.0260958 -1.3262859 22 O -1.2457360 0.1807326 0.3598104 0.3135769 -1.8312179 -0.6784303 0.3785452 -0.7344241 -2.7047661 23 O -1.8151522 0.5171075 -0.6391589 0.5091816 -1.8247396 0.5779749 -0.5779788 0.6147127 -1.7148709 24 O -1.8151522 0.5171075 -0.6391589 0.5091816 -1.8247396 0.5779749 -0.5779788 0.6147127 -1.7148709 25 O -1.2726631 0.1320338 0.0209865 0.0912490 -1.5426467 -0.3282890 -0.0007349 -0.2130522 -1.3798942 26 O -1.4971022 -0.3143722 0.4149335 -0.3162482 -1.7296499 0.6214981 0.3284379 0.5293748 -2.5026871 27 O -3.2465537 -0.0266154 -0.7532404 -0.0920323 -1.0696857 -0.0017490 -0.6140448 0.0260958 -1.3262859 28 O -3.2465537 -0.0266154 -0.7532404 -0.0920323 -1.0696857 -0.0017490 -0.6140448 0.0260958 -1.3262859 29 O -2.7681617 -0.0319326 0.5928700 0.0363982 -1.1327743 -0.1362618 0.5949001 -0.1695443 -1.4718911 30 O -1.2726631 -0.1320338 0.0209865 -0.0912490 -1.5426467 0.3282890 -0.0007349 0.2130522 -1.3798942 31 O -1.2239016 -0.1037689 0.0959732 -0.2006102 -3.1112976 -0.0800624 0.0043967 -0.2193340 -1.3405979 32 O -1.8151522 -0.5171075 -0.6391589 -0.5091816 -1.8247396 -0.5779749 -0.5779788 -0.6147127 -1.7148709 33 O -1.2457360 0.1807326 0.3598104 0.3135769 -1.8312179 -0.6784303 0.3785452 -0.7344241 -2.7047661 34 O -1.2239016 0.1037689 0.0959732 0.2006102 -3.1112976 0.0800624 0.0043967 0.2193340 -1.3405979 35 O -1.4971022 0.3143722 0.4149335 0.3162482 -1.7296499 -0.6214981 0.3284379 -0.5293748 -2.5026871 36 O -1.2726631 0.1320338 0.0209865 0.0912490 -1.5426467 -0.3282890 -0.0007349 -0.2130522 -1.3798942 37 O -2.7681617 -0.0319326 0.5928700 0.0363982 -1.1327743 -0.1362618 0.5949001 -0.1695443 -1.4718911 38 O -1.4971022 0.3143722 0.4149335 0.3162482 -1.7296499 -0.6214981 0.3284379 -0.5293748 -2.5026871 39 O -2.7681617 0.0319326 0.5928700 -0.0363982 -1.1327743 0.1362618 0.5949001 0.1695443 -1.4718911 40 O -1.2457360 -0.1807326 0.3598104 -0.3135769 -1.8312179 0.6784303 0.3785452 0.7344241 -2.7047661 41 O -1.2239016 0.1037689 0.0959732 0.2006102 -3.1112976 0.0800624 0.0043967 0.2193340 -1.3405979 42 O -1.2457360 -0.1807326 0.3598104 -0.3135769 -1.8312179 0.6784303 0.3785452 0.7344241 -2.7047661 43 O -1.4971022 -0.3143722 0.4149335 -0.3162482 -1.7296499 0.6214981 0.3284379 0.5293748 -2.5026871 44 O -3.2465537 0.0266154 -0.7532404 0.0920323 -1.0696857 0.0017490 -0.6140448 -0.0260958 -1.3262859 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:41:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:41:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.478239930120665 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): 1 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 2 Na 0.96425142514351 0.28910528717022 0.06778910913268 22.990 3 Na 0.03574857485649 0.71089471282978 0.93221089086732 22.990 4 Na 0.96425142514351 0.21089471282978 0.56778910913268 22.990 5 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 6 Na 0.03574857485649 0.78910528717022 0.43221089086732 22.990 7 Sb 0.47610063602560 0.75885100983340 0.24654431913778 121.760 8 Sb 0.47610063602560 0.74114899016660 0.74654431913778 121.760 9 Sb 0.52389936397440 0.24114899016660 0.75345568086222 121.760 10 Sb 0.52389936397440 0.25885100983340 0.25345568086221 121.760 11 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 12 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 13 As 0.08450793581638 0.23501090316881 0.83919889147284 74.922 14 As 0.08450793581638 0.26498909683119 0.33919889147284 74.922 15 As 0.91549206418361 0.73501090316881 0.66080110852716 74.922 16 As 0.91549206418361 0.76498909683119 0.16080110852716 74.922 17 O 0.57179422945206 0.00495545109091 0.30361404619852 15.999 18 O 0.18289243852755 0.46931216519806 0.40539141465827 15.999 19 O 0.79450611016174 0.72223958992187 0.26188604260087 15.999 20 O 0.89059803197296 0.90231301191690 0.57048297182680 15.999 21 O 0.83072696336226 0.18738933360855 0.75453837113763 15.999 22 O 0.46354960634268 0.20471131992867 0.09389686553565 15.999 23 O 0.18289243852755 0.03068783480194 0.90539141465827 15.999 24 O 0.81710756147245 0.96931216519806 0.09460858534173 15.999 25 O 0.10940196802704 0.40231301191690 0.92951702817320 15.999 26 O 0.60410752925869 0.19072582778647 0.91668280877410 15.999 27 O 0.16927303663774 0.68738933360855 0.74546162886237 15.999 28 O 0.83072696336226 0.31261066639145 0.25453837113763 15.999 29 O 0.20549388983826 0.22223958992187 0.23811395739913 15.999 30 O 0.10940196802704 0.09768698808310 0.42951702817319 15.999 31 O 0.42820577054794 0.99504454890909 0.69638595380148 15.999 32 O 0.81710756147245 0.53068783480194 0.59460858534173 15.999 33 O 0.53645039365732 0.79528868007133 0.90610313446435 15.999 34 O 0.42820577054794 0.50495545109091 0.19638595380148 15.999 35 O 0.60410752925869 0.30927417221353 0.41668280877410 15.999 36 O 0.89059803197296 0.59768698808310 0.07048297182681 15.999 37 O 0.79450611016174 0.77776041007813 0.76188604260087 15.999 38 O 0.39589247074131 0.69072582778647 0.58331719122590 15.999 39 O 0.20549388983826 0.27776041007813 0.73811395739913 15.999 40 O 0.53645039365732 0.70471131992867 0.40610313446435 15.999 41 O 0.57179422945206 0.49504454890909 0.80361404619852 15.999 42 O 0.46354960634268 0.29528868007133 0.59389686553565 15.999 43 O 0.39589247074131 0.80927417221353 0.08331719122590 15.999 44 O 0.16927303663774 0.81261066639145 0.24546162886237 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.956479860241330 0.000000000000000 0.000000000000000 b 0.000000000000000 7.309003010000000 0.000000000000000 c -3.760302989240599 0.000000000000000 12.009347839178066 Atomic positions (fractional): 1 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.48212571257176 0.28910528717022 0.06778910913268 22.990 > 3 4 Na 0.98212571257176 0.28910528717022 0.06778910913268 22.990 > 3 5 Na 0.01787428742824 0.71089471282978 0.93221089086732 22.990 > 5 6 Na 0.51787428742824 0.71089471282978 0.93221089086732 22.990 > 5 7 Na 0.48212571257176 0.21089471282978 0.56778910913268 22.990 > 7 8 Na 0.98212571257176 0.21089471282978 0.56778910913268 22.990 > 7 9 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 9 10 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 9 11 Na 0.01787428742824 0.78910528717022 0.43221089086732 22.990 > 11 12 Na 0.51787428742824 0.78910528717022 0.43221089086732 22.990 > 11 13 Sb 0.23805031801280 0.75885100983340 0.24654431913778 121.760 > 13 14 Sb 0.73805031801280 0.75885100983340 0.24654431913778 121.760 > 13 15 Sb 0.23805031801280 0.74114899016660 0.74654431913778 121.760 > 15 16 Sb 0.73805031801280 0.74114899016660 0.74654431913778 121.760 > 15 17 Sb 0.26194968198720 0.24114899016660 0.75345568086222 121.760 > 17 18 Sb 0.76194968198720 0.24114899016660 0.75345568086222 121.760 > 17 19 Sb 0.26194968198720 0.25885100983340 0.25345568086221 121.760 > 19 20 Sb 0.76194968198720 0.25885100983340 0.25345568086221 121.760 > 19 21 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 21 22 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 21 23 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 23 24 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 23 25 As 0.04225396790819 0.23501090316881 0.83919889147284 74.922 > 25 26 As 0.54225396790819 0.23501090316881 0.83919889147284 74.922 > 25 27 As 0.04225396790819 0.26498909683119 0.33919889147284 74.922 > 27 28 As 0.54225396790819 0.26498909683119 0.33919889147284 74.922 > 27 29 As 0.45774603209181 0.73501090316881 0.66080110852716 74.922 > 29 30 As 0.95774603209181 0.73501090316881 0.66080110852716 74.922 > 29 31 As 0.45774603209181 0.76498909683119 0.16080110852716 74.922 > 31 32 As 0.95774603209181 0.76498909683119 0.16080110852716 74.922 > 31 33 O 0.28589711472603 0.00495545109091 0.30361404619852 15.999 > 33 34 O 0.78589711472603 0.00495545109091 0.30361404619852 15.999 > 33 35 O 0.09144621926378 0.46931216519806 0.40539141465827 15.999 > 35 36 O 0.59144621926378 0.46931216519806 0.40539141465827 15.999 > 35 37 O 0.39725305508087 0.72223958992187 0.26188604260087 15.999 > 37 38 O 0.89725305508087 0.72223958992187 0.26188604260087 15.999 > 37 39 O 0.44529901598648 0.90231301191690 0.57048297182680 15.999 > 39 40 O 0.94529901598648 0.90231301191690 0.57048297182680 15.999 > 39 41 O 0.41536348168113 0.18738933360855 0.75453837113763 15.999 > 41 42 O 0.91536348168113 0.18738933360855 0.75453837113763 15.999 > 41 43 O 0.23177480317134 0.20471131992867 0.09389686553565 15.999 > 43 44 O 0.73177480317134 0.20471131992867 0.09389686553565 15.999 > 43 45 O 0.09144621926378 0.03068783480194 0.90539141465827 15.999 > 45 46 O 0.59144621926378 0.03068783480194 0.90539141465827 15.999 > 45 47 O 0.40855378073622 0.96931216519806 0.09460858534173 15.999 > 47 48 O 0.90855378073622 0.96931216519806 0.09460858534173 15.999 > 47 49 O 0.05470098401352 0.40231301191690 0.92951702817320 15.999 > 49 50 O 0.55470098401352 0.40231301191690 0.92951702817320 15.999 > 49 51 O 0.30205376462935 0.19072582778647 0.91668280877410 15.999 > 51 52 O 0.80205376462935 0.19072582778647 0.91668280877410 15.999 > 51 53 O 0.08463651831887 0.68738933360855 0.74546162886237 15.999 > 53 54 O 0.58463651831887 0.68738933360855 0.74546162886237 15.999 > 53 55 O 0.41536348168113 0.31261066639145 0.25453837113763 15.999 > 55 56 O 0.91536348168113 0.31261066639145 0.25453837113763 15.999 > 55 57 O 0.10274694491913 0.22223958992187 0.23811395739913 15.999 > 57 58 O 0.60274694491913 0.22223958992187 0.23811395739913 15.999 > 57 59 O 0.05470098401352 0.09768698808310 0.42951702817319 15.999 > 59 60 O 0.55470098401352 0.09768698808310 0.42951702817319 15.999 > 59 61 O 0.21410288527397 0.99504454890909 0.69638595380148 15.999 > 61 62 O 0.71410288527397 0.99504454890909 0.69638595380148 15.999 > 61 63 O 0.40855378073622 0.53068783480194 0.59460858534173 15.999 > 63 64 O 0.90855378073622 0.53068783480194 0.59460858534173 15.999 > 63 65 O 0.26822519682866 0.79528868007133 0.90610313446435 15.999 > 65 66 O 0.76822519682866 0.79528868007133 0.90610313446435 15.999 > 65 67 O 0.21410288527397 0.50495545109091 0.19638595380148 15.999 > 67 68 O 0.71410288527397 0.50495545109091 0.19638595380148 15.999 > 67 69 O 0.30205376462935 0.30927417221353 0.41668280877410 15.999 > 69 70 O 0.80205376462935 0.30927417221353 0.41668280877410 15.999 > 69 71 O 0.44529901598648 0.59768698808310 0.07048297182681 15.999 > 71 72 O 0.94529901598648 0.59768698808310 0.07048297182681 15.999 > 71 73 O 0.39725305508087 0.77776041007813 0.76188604260087 15.999 > 73 74 O 0.89725305508087 0.77776041007813 0.76188604260087 15.999 > 73 75 O 0.19794623537065 0.69072582778647 0.58331719122590 15.999 > 75 76 O 0.69794623537065 0.69072582778647 0.58331719122590 15.999 > 75 77 O 0.10274694491913 0.27776041007813 0.73811395739913 15.999 > 77 78 O 0.60274694491913 0.27776041007813 0.73811395739913 15.999 > 77 79 O 0.26822519682866 0.70471131992867 0.40610313446435 15.999 > 79 80 O 0.76822519682866 0.70471131992867 0.40610313446435 15.999 > 79 81 O 0.28589711472603 0.49504454890909 0.80361404619852 15.999 > 81 82 O 0.78589711472603 0.49504454890909 0.80361404619852 15.999 > 81 83 O 0.23177480317134 0.29528868007133 0.59389686553565 15.999 > 83 84 O 0.73177480317134 0.29528868007133 0.59389686553565 15.999 > 83 85 O 0.19794623537065 0.80927417221353 0.08331719122590 15.999 > 85 86 O 0.69794623537065 0.80927417221353 0.08331719122590 15.999 > 85 87 O 0.08463651831887 0.81261066639145 0.24546162886237 15.999 > 87 88 O 0.58463651831887 0.81261066639145 0.24546162886237 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5844929 0.0000000 -0.0386988 0.0000000 3.5063160 0.0000000 -0.0386979 0.0000000 3.5403389 -------------------------- Born effective charges -------------------------- 1 Na 0.9586187 -0.0475546 0.0211292 -0.1635274 1.3033887 -0.0550041 -0.0095708 -0.0038147 1.2823426 2 Na 1.1678820 0.0389490 -0.0015834 0.0377919 1.1598607 0.0701735 -0.0207835 0.0330203 1.2639721 3 Na 1.1678820 0.0389490 -0.0015834 0.0377919 1.1598607 0.0701735 -0.0207835 0.0330203 1.2639721 4 Na 1.1678820 -0.0389490 -0.0015834 -0.0377919 1.1598607 -0.0701735 -0.0207835 -0.0330203 1.2639721 5 Na 0.9586187 0.0475546 0.0211292 0.1635274 1.3033887 0.0550041 -0.0095708 0.0038147 1.2823426 6 Na 1.1678820 -0.0389490 -0.0015834 -0.0377919 1.1598607 -0.0701735 -0.0207835 -0.0330203 1.2639721 7 Sb 5.1991230 -0.4027256 -0.6654091 0.5088166 5.2822042 -0.5238285 -0.0854646 -0.5566333 4.4839012 8 Sb 5.1991230 0.4027256 -0.6654091 -0.5088166 5.2822042 0.5238285 -0.0854646 0.5566333 4.4839012 9 Sb 5.1991230 -0.4027256 -0.6654091 0.5088166 5.2822042 -0.5238285 -0.0854646 -0.5566333 4.4839012 10 Sb 5.1991230 0.4027256 -0.6654091 -0.5088166 5.2822042 0.5238285 -0.0854646 0.5566333 4.4839012 11 Sb 4.1393194 -0.0527925 0.2346424 -0.8371656 4.3840505 -0.5898738 -0.4152531 0.2382774 5.7805676 12 Sb 4.1393194 0.0527925 0.2346424 0.8371656 4.3840505 0.5898738 -0.4152531 -0.2382774 5.7805676 13 As 4.1532965 -0.2241905 0.4469325 -0.2429711 2.9562269 -0.1362340 0.2051387 -0.4665254 3.1616650 14 As 4.1532965 0.2241905 0.4469325 0.2429711 2.9562269 0.1362340 0.2051387 0.4665254 3.1616650 15 As 4.1532965 0.2241905 0.4469325 0.2429711 2.9562269 0.1362340 0.2051387 0.4665254 3.1616650 16 As 4.1532965 -0.2241905 0.4469325 -0.2429711 2.9562269 -0.1362340 0.2051387 -0.4665254 3.1616650 17 O -1.2239016 -0.1037689 0.0959732 -0.2006102 -3.1112976 -0.0800624 0.0043967 -0.2193340 -1.3405979 18 O -1.8151522 -0.5171075 -0.6391589 -0.5091816 -1.8247396 -0.5779749 -0.5779788 -0.6147127 -1.7148709 19 O -2.7681617 0.0319326 0.5928700 -0.0363982 -1.1327743 0.1362618 0.5949001 0.1695443 -1.4718911 20 O -1.2726631 -0.1320338 0.0209865 -0.0912490 -1.5426467 0.3282890 -0.0007349 0.2130522 -1.3798942 21 O -3.2465537 0.0266154 -0.7532404 0.0920323 -1.0696857 0.0017490 -0.6140448 -0.0260958 -1.3262859 22 O -1.2457360 0.1807326 0.3598104 0.3135769 -1.8312179 -0.6784303 0.3785452 -0.7344241 -2.7047661 23 O -1.8151522 0.5171075 -0.6391589 0.5091816 -1.8247396 0.5779749 -0.5779788 0.6147127 -1.7148709 24 O -1.8151522 0.5171075 -0.6391589 0.5091816 -1.8247396 0.5779749 -0.5779788 0.6147127 -1.7148709 25 O -1.2726631 0.1320338 0.0209865 0.0912490 -1.5426467 -0.3282890 -0.0007349 -0.2130522 -1.3798942 26 O -1.4971022 -0.3143722 0.4149335 -0.3162482 -1.7296499 0.6214981 0.3284379 0.5293748 -2.5026871 27 O -3.2465537 -0.0266154 -0.7532404 -0.0920323 -1.0696857 -0.0017490 -0.6140448 0.0260958 -1.3262859 28 O -3.2465537 -0.0266154 -0.7532404 -0.0920323 -1.0696857 -0.0017490 -0.6140448 0.0260958 -1.3262859 29 O -2.7681617 -0.0319326 0.5928700 0.0363982 -1.1327743 -0.1362618 0.5949001 -0.1695443 -1.4718911 30 O -1.2726631 -0.1320338 0.0209865 -0.0912490 -1.5426467 0.3282890 -0.0007349 0.2130522 -1.3798942 31 O -1.2239016 -0.1037689 0.0959732 -0.2006102 -3.1112976 -0.0800624 0.0043967 -0.2193340 -1.3405979 32 O -1.8151522 -0.5171075 -0.6391589 -0.5091816 -1.8247396 -0.5779749 -0.5779788 -0.6147127 -1.7148709 33 O -1.2457360 0.1807326 0.3598104 0.3135769 -1.8312179 -0.6784303 0.3785452 -0.7344241 -2.7047661 34 O -1.2239016 0.1037689 0.0959732 0.2006102 -3.1112976 0.0800624 0.0043967 0.2193340 -1.3405979 35 O -1.4971022 0.3143722 0.4149335 0.3162482 -1.7296499 -0.6214981 0.3284379 -0.5293748 -2.5026871 36 O -1.2726631 0.1320338 0.0209865 0.0912490 -1.5426467 -0.3282890 -0.0007349 -0.2130522 -1.3798942 37 O -2.7681617 -0.0319326 0.5928700 0.0363982 -1.1327743 -0.1362618 0.5949001 -0.1695443 -1.4718911 38 O -1.4971022 0.3143722 0.4149335 0.3162482 -1.7296499 -0.6214981 0.3284379 -0.5293748 -2.5026871 39 O -2.7681617 0.0319326 0.5928700 -0.0363982 -1.1327743 0.1362618 0.5949001 0.1695443 -1.4718911 40 O -1.2457360 -0.1807326 0.3598104 -0.3135769 -1.8312179 0.6784303 0.3785452 0.7344241 -2.7047661 41 O -1.2239016 0.1037689 0.0959732 0.2006102 -3.1112976 0.0800624 0.0043967 0.2193340 -1.3405979 42 O -1.2457360 -0.1807326 0.3598104 -0.3135769 -1.8312179 0.6784303 0.3785452 0.7344241 -2.7047661 43 O -1.4971022 -0.3143722 0.4149335 -0.3162482 -1.7296499 0.6214981 0.3284379 0.5293748 -2.5026871 44 O -3.2465537 0.0266154 -0.7532404 0.0920323 -1.0696857 0.0017490 -0.6140448 -0.0260958 -1.3262859 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 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: 0.50, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 9.253 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.746 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 10.335 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 10.790 ( 0.000 0.000 0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.491 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.359 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.048 ( 0.000 0.000 0.000) 0.000 14.105 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.602 ( 0.000 0.000 0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 15.128 ( 0.000 0.000 0.000) 0.000 15.269 ( 0.000 0.000 0.000) 0.000 15.458 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 17.605 ( 0.000 0.000 0.000) 0.000 19.237 ( 0.000 0.000 0.000) 0.000 19.623 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 0.000) 0.000 20.522 ( 0.000 0.000 0.000) 0.000 21.045 ( 0.000 0.000 0.000) 0.000 21.192 ( 0.000 0.000 0.000) 0.000 21.231 ( 0.000 0.000 0.000) 0.000 21.477 ( 0.000 0.000 0.000) 0.000 22.428 ( 0.000 0.000 0.000) 0.000 22.470 ( 0.000 0.000 0.000) 0.000 22.549 ( 0.000 0.000 0.000) 0.000 22.583 ( 0.000 0.000 0.000) 0.000 22.783 ( 0.000 0.000 0.000) 0.000 23.140 ( 0.000 0.000 0.000) 0.000 23.524 ( 0.000 0.000 0.000) 0.000 23.637 ( 0.000 0.000 0.000) 0.000 23.790 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 24.598 ( 0.000 0.000 0.000) 0.000 25.432 ( 0.000 0.000 0.000) 0.000 25.516 ( 0.000 0.000 0.000) 0.000 25.603 ( 0.000 0.000 0.000) 0.000 25.688 ( 0.000 0.000 0.000) 0.000 26.296 ( 0.000 0.000 0.000) 0.000 26.401 ( 0.000 0.000 0.000) 0.000 26.521 ( 0.000 0.000 0.000) 0.000 26.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 23.369 0.000 8.787) 24.966 0.526 ( 28.445 0.000 -6.150) 29.103 1.218 ( 56.952 0.000 8.310) 57.555 2.003 ( 6.424 0.000 4.081) 7.611 2.165 ( 14.828 0.000 -15.902) 21.743 2.176 ( -0.541 0.000 -6.399) 6.422 2.443 ( 4.188 0.000 0.389) 4.206 2.520 ( -0.717 0.000 6.439) 6.479 2.650 ( -10.372 0.000 2.923) 10.776 2.876 ( -9.069 0.000 -2.301) 9.356 3.099 ( 0.411 0.000 3.745) 3.767 3.183 ( -8.854 0.000 6.735) 11.125 3.216 ( 2.913 0.000 -8.264) 8.763 3.314 ( -2.319 0.000 -5.680) 6.135 3.392 ( 0.620 0.000 -2.716) 2.786 3.409 ( 12.797 0.000 -3.488) 13.264 3.434 ( -2.931 0.000 7.999) 8.519 3.641 ( -8.456 0.000 -8.674) 12.113 3.690 ( -1.981 0.000 -4.924) 5.307 3.838 ( -5.049 0.000 -10.522) 11.671 3.901 ( 0.494 0.000 1.526) 1.604 3.986 ( 2.917 0.000 5.718) 6.419 3.986 ( 9.848 0.000 -0.013) 9.848 4.103 ( 5.227 0.000 -1.474) 5.431 4.275 ( 5.443 0.000 9.784) 11.196 4.337 ( 4.450 0.000 -0.295) 4.460 4.417 ( -0.289 0.000 2.035) 2.056 4.580 ( 5.844 0.000 1.998) 6.176 4.645 ( 4.240 0.000 6.679) 7.911 4.720 ( -0.547 0.000 1.865) 1.943 4.902 ( 7.809 0.000 6.979) 10.474 4.910 ( -1.733 0.000 -0.332) 1.765 4.928 ( -0.903 0.000 -3.473) 3.589 4.955 ( -2.515 0.000 -3.395) 4.225 5.133 ( 7.245 0.000 -1.624) 7.425 5.140 ( -0.719 0.000 5.449) 5.496 5.287 ( 3.097 0.000 5.242) 6.089 5.295 ( 6.964 0.000 -4.140) 8.102 5.447 ( 2.963 0.000 1.113) 3.165 5.455 ( -3.644 0.000 1.434) 3.916 5.597 ( -6.680 0.000 -5.833) 8.869 5.644 ( 2.759 0.000 0.684) 2.843 5.937 ( -3.919 0.000 2.038) 4.417 5.978 ( 0.250 0.000 -1.985) 2.000 5.990 ( 5.408 0.000 0.697) 5.453 6.117 ( 1.578 0.000 -10.457) 10.575 6.230 ( -1.197 0.000 -11.052) 11.116 6.390 ( -1.609 0.000 9.582) 9.716 6.419 ( -3.528 0.000 5.477) 6.515 6.610 ( -2.199 0.000 0.930) 2.388 6.628 ( 4.058 0.000 2.308) 4.668 6.696 ( -3.689 0.000 -5.803) 6.876 6.732 ( 2.428 0.000 -2.942) 3.815 6.778 ( 3.791 0.000 -4.700) 6.038 7.010 ( 3.583 0.000 7.697) 8.490 7.090 ( 1.187 0.000 -2.932) 3.163 7.189 ( -0.781 0.000 4.209) 4.281 7.367 ( 7.619 0.000 -8.376) 11.323 7.520 ( 0.711 0.000 9.727) 9.753 7.578 ( -4.693 0.000 2.148) 5.161 7.690 ( -1.143 0.000 2.541) 2.786 7.820 ( -0.775 0.000 -1.882) 2.035 7.915 ( 21.080 0.000 3.242) 21.327 7.979 ( -1.872 0.000 -2.904) 3.455 8.236 ( 1.830 0.000 -1.548) 2.397 8.655 ( 6.413 0.000 -6.308) 8.995 8.889 ( -0.022 0.000 2.377) 2.377 9.242 ( 1.693 0.000 -8.854) 9.014 9.392 ( 5.523 0.000 -13.982) 15.033 9.514 ( -0.237 0.000 -0.958) 0.987 9.717 ( -1.702 0.000 -3.435) 3.834 9.773 ( -2.851 0.000 1.438) 3.193 10.322 ( -1.177 0.000 -2.675) 2.923 10.423 ( -9.152 0.000 0.675) 9.177 10.608 ( -5.580 0.000 -2.091) 5.959 10.610 ( -1.278 0.000 0.237) 1.300 10.768 ( -2.612 0.000 1.661) 3.095 10.887 ( -6.775 0.000 0.690) 6.810 10.944 ( -7.129 0.000 0.174) 7.131 11.003 ( 0.220 0.000 -1.539) 1.555 11.241 ( -0.679 0.000 -2.166) 2.270 11.278 ( 0.418 0.000 2.544) 2.578 11.306 ( -0.429 0.000 0.578) 0.719 11.840 ( 2.588 0.000 0.123) 2.591 12.097 ( -3.902 0.000 1.451) 4.163 12.294 ( -5.265 0.000 -1.997) 5.631 12.393 ( 1.537 0.000 -1.491) 2.141 12.491 ( 4.114 0.000 -1.010) 4.236 12.553 ( 2.052 0.000 -1.392) 2.480 12.923 ( -1.757 0.000 0.348) 1.791 13.347 ( -1.338 0.000 -0.635) 1.481 13.354 ( 0.745 0.000 -32.414) 32.423 13.630 ( -1.959 0.000 0.132) 1.963 13.764 ( -1.249 0.000 1.056) 1.636 14.066 ( -3.457 0.000 8.698) 9.359 14.076 ( -0.163 0.000 1.627) 1.635 14.147 ( 1.893 0.000 7.224) 7.468 14.261 ( -3.902 0.000 -6.937) 7.959 14.807 ( -1.365 0.000 2.832) 3.144 15.038 ( -5.193 0.000 5.323) 7.436 15.194 ( 6.132 0.000 -0.028) 6.132 15.483 ( 2.398 0.000 0.177) 2.404 15.661 ( -9.249 0.000 43.850) 44.815 15.694 ( 6.301 0.000 -3.492) 7.204 17.613 ( 0.721 0.000 0.409) 0.829 19.247 ( 0.522 0.000 1.532) 1.619 19.627 ( -1.495 0.000 4.139) 4.401 20.401 ( 1.382 0.000 1.108) 1.771 20.471 ( -3.143 0.000 -6.326) 7.064 21.049 ( -2.426 0.000 6.409) 6.853 21.142 ( -4.152 0.000 -1.026) 4.277 21.244 ( 0.769 0.000 -4.887) 4.947 21.661 ( -4.964 0.000 13.411) 14.300 22.090 ( -20.918 0.000 -4.143) 21.324 22.209 ( -18.229 0.000 -2.097) 18.349 22.269 ( -23.584 0.000 1.948) 23.664 23.107 ( -1.703 0.000 0.039) 1.704 23.157 ( 14.292 0.000 2.292) 14.475 23.673 ( 15.461 0.000 6.394) 16.731 23.744 ( 21.060 0.000 -20.131) 29.134 23.900 ( 23.379 0.000 -4.246) 23.761 23.978 ( 2.911 0.000 2.062) 3.568 24.590 ( -0.205 0.000 -0.845) 0.869 25.158 ( 8.638 0.000 -20.306) 22.067 25.438 ( 0.291 0.000 1.210) 1.244 25.517 ( 0.105 0.000 -0.379) 0.394 25.584 ( -1.749 0.000 -0.346) 1.783 25.829 ( 3.549 0.000 -12.609) 13.099 26.353 ( -7.491 0.000 18.418) 19.883 26.371 ( -2.766 0.000 -0.675) 2.848 26.519 ( -0.612 0.000 1.199) 1.346 26.874 ( -2.634 0.000 0.189) 2.640 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 19.525 0.000 6.434) 20.558 0.996 ( 24.030 0.000 -8.758) 25.576 1.950 ( -18.261 0.000 -14.394) 23.252 2.040 ( 3.339 0.000 7.020) 7.774 2.281 ( 29.146 0.000 -1.702) 29.195 2.362 ( 10.890 0.000 8.093) 13.568 2.440 ( -5.877 0.000 0.302) 5.885 2.553 ( -13.023 0.000 4.148) 13.667 2.633 ( 9.464 0.000 8.781) 12.910 2.636 ( 12.628 0.000 -11.583) 17.136 3.049 ( -6.367 0.000 5.397) 8.346 3.174 ( 0.479 0.000 -4.394) 4.420 3.238 ( 4.765 0.000 -1.259) 4.929 3.308 ( 4.784 0.000 -5.674) 7.422 3.308 ( -5.532 0.000 -5.586) 7.861 3.482 ( 1.658 0.000 9.788) 9.927 3.556 ( 6.147 0.000 -7.890) 10.002 3.631 ( -0.941 0.000 0.415) 1.028 3.652 ( -4.366 0.000 -6.577) 7.894 3.797 ( 19.593 0.000 2.181) 19.714 3.956 ( 2.203 0.000 2.565) 3.381 4.104 ( 5.956 0.000 3.325) 6.821 4.149 ( 3.776 0.000 -4.860) 6.154 4.172 ( 7.999 0.000 -4.865) 9.362 4.422 ( 4.293 0.000 6.750) 8.000 4.427 ( 0.966 0.000 -0.381) 1.038 4.432 ( 4.483 0.000 5.600) 7.173 4.622 ( -1.461 0.000 -1.451) 2.059 4.659 ( -5.685 0.000 0.789) 5.740 4.787 ( 4.557 0.000 3.491) 5.740 4.835 ( -3.470 0.000 -5.168) 6.225 4.888 ( -1.429 0.000 0.826) 1.650 4.973 ( 5.441 0.000 3.430) 6.432 5.043 ( 3.814 0.000 -4.742) 6.086 5.194 ( -1.471 0.000 2.998) 3.339 5.238 ( -7.485 0.000 0.851) 7.533 5.309 ( -1.994 0.000 5.745) 6.082 5.328 ( 6.994 0.000 4.187) 8.151 5.464 ( 1.470 0.000 -5.630) 5.819 5.487 ( 5.768 0.000 5.511) 7.977 5.548 ( 6.614 0.000 -4.973) 8.275 5.810 ( 7.192 0.000 3.866) 8.165 5.855 ( -5.475 0.000 0.763) 5.528 5.977 ( 0.450 0.000 -0.178) 0.484 6.062 ( -1.497 0.000 -3.785) 4.070 6.091 ( 4.972 0.000 1.038) 5.079 6.113 ( -2.151 0.000 -13.629) 13.798 6.406 ( -1.085 0.000 5.089) 5.203 6.417 ( -1.200 0.000 8.168) 8.256 6.548 ( -5.757 0.000 7.170) 9.195 6.649 ( 2.514 0.000 -9.912) 10.226 6.710 ( 2.293 0.000 2.915) 3.709 6.781 ( 4.911 0.000 -3.750) 6.179 6.841 ( 5.014 0.000 -3.709) 6.237 7.070 ( 0.360 0.000 5.100) 5.113 7.083 ( 0.804 0.000 -6.819) 6.866 7.233 ( 0.999 0.000 3.018) 3.179 7.454 ( 5.288 0.000 -5.475) 7.612 7.485 ( -4.118 0.000 -2.131) 4.636 7.681 ( -1.298 0.000 1.948) 2.340 7.688 ( 9.360 0.000 6.827) 11.585 7.797 ( -0.795 0.000 0.063) 0.797 7.935 ( 1.834 0.000 -2.497) 3.098 8.285 ( 4.084 0.000 -0.534) 4.119 8.376 ( 20.069 0.000 6.203) 21.006 8.750 ( 4.452 0.000 -0.078) 4.453 8.905 ( 0.210 0.000 4.391) 4.396 9.218 ( 2.155 0.000 -10.176) 10.402 9.420 ( 2.163 0.000 -1.319) 2.534 9.497 ( -1.262 0.000 -0.949) 1.579 9.653 ( -1.529 0.000 -5.636) 5.839 9.701 ( -5.697 0.000 2.389) 6.177 10.220 ( -12.136 0.000 3.301) 12.577 10.248 ( -5.751 0.000 -0.515) 5.774 10.441 ( -8.881 0.000 -5.464) 10.427 10.593 ( -0.495 0.000 -0.156) 0.519 10.701 ( -12.508 0.000 1.531) 12.601 10.720 ( -5.118 0.000 4.643) 6.910 10.779 ( -8.098 0.000 1.249) 8.194 10.956 ( -3.545 0.000 -2.303) 4.227 11.179 ( -3.472 0.000 -5.266) 6.307 11.310 ( 1.190 0.000 0.525) 1.300 11.322 ( 1.234 0.000 3.586) 3.793 11.909 ( 4.091 0.000 0.351) 4.106 12.040 ( -2.529 0.000 2.144) 3.316 12.186 ( -4.050 0.000 -3.135) 5.121 12.417 ( 2.255 0.000 -2.731) 3.542 12.551 ( 2.831 0.000 -1.369) 3.145 12.582 ( 1.457 0.000 -0.800) 1.662 12.882 ( -2.524 0.000 0.311) 2.544 13.138 ( -7.904 0.000 -11.839) 14.235 13.286 ( -4.291 0.000 -1.527) 4.554 13.588 ( -2.204 0.000 0.203) 2.214 13.765 ( 0.396 0.000 2.364) 2.397 13.956 ( -7.702 0.000 -4.930) 9.145 14.058 ( -1.476 0.000 4.982) 5.196 14.258 ( 5.131 0.000 6.310) 8.132 14.272 ( 4.694 0.000 -0.921) 4.783 14.801 ( -0.401 0.000 1.841) 1.884 14.943 ( -5.520 0.000 -1.987) 5.866 15.337 ( 7.865 0.000 0.387) 7.875 15.546 ( 4.029 0.000 -0.342) 4.043 15.754 ( -0.732 0.000 16.619) 16.636 15.782 ( 4.470 0.000 -4.516) 6.354 17.635 ( 1.050 0.000 0.694) 1.259 19.271 ( 0.549 0.000 2.323) 2.387 19.621 ( -0.578 0.000 0.559) 0.804 20.336 ( -5.747 0.000 -8.125) 9.952 20.459 ( 3.709 0.000 2.407) 4.421 20.957 ( -9.726 0.000 6.032) 11.445 21.098 ( -0.161 0.000 -2.103) 2.109 21.209 ( -3.707 0.000 0.653) 3.764 21.624 ( -4.713 0.000 1.484) 4.941 21.706 ( -19.320 0.000 0.702) 19.333 21.845 ( -15.149 0.000 -0.304) 15.152 21.893 ( -12.103 0.000 -0.608) 12.118 23.086 ( -0.626 0.000 -0.009) 0.626 23.293 ( 2.599 0.000 0.195) 2.607 23.876 ( 2.067 0.000 -3.781) 4.309 24.048 ( 13.546 0.000 4.532) 14.284 24.198 ( 17.324 0.000 -4.723) 17.956 24.372 ( 24.335 0.000 2.619) 24.475 24.619 ( 6.020 0.000 -2.389) 6.476 25.213 ( 5.491 0.000 -7.696) 9.454 25.461 ( 1.150 0.000 2.578) 2.823 25.507 ( -1.105 0.000 -1.061) 1.532 25.538 ( -2.555 0.000 -0.306) 2.574 25.811 ( 0.253 0.000 -6.082) 6.087 26.295 ( -4.308 0.000 -0.877) 4.396 26.310 ( -4.809 0.000 7.372) 8.802 26.512 ( -0.862 0.000 1.497) 1.727 26.813 ( -3.498 0.000 0.085) 3.499 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -0.431 0.000 -2.401) 2.440 1.317 ( 14.459 0.000 -9.677) 17.398 1.378 ( -15.802 0.000 -5.936) 16.880 2.006 ( -6.354 0.000 9.874) 11.741 2.331 ( -1.914 0.000 -2.968) 3.532 2.449 ( -0.591 0.000 4.487) 4.525 2.547 ( -0.469 0.000 -0.869) 0.988 2.643 ( 9.517 0.000 4.317) 10.450 2.746 ( 1.521 0.000 -4.508) 4.757 2.901 ( 7.038 0.000 11.512) 13.493 3.048 ( 0.691 0.000 3.714) 3.778 3.121 ( -1.563 0.000 -9.076) 9.210 3.230 ( 2.367 0.000 -3.988) 4.638 3.353 ( 4.981 0.000 -7.201) 8.756 3.474 ( 13.551 0.000 -0.056) 13.551 3.524 ( -4.002 0.000 -3.565) 5.360 3.592 ( 7.331 0.000 1.675) 7.520 3.624 ( 4.118 0.000 -3.248) 5.245 3.705 ( 4.722 0.000 10.999) 11.970 4.003 ( 0.896 0.000 3.403) 3.519 4.084 ( -3.790 0.000 -6.032) 7.124 4.188 ( 13.932 0.000 5.127) 14.846 4.266 ( 9.858 0.000 -0.570) 9.874 4.337 ( 8.372 0.000 -4.627) 9.566 4.435 ( -5.238 0.000 -1.476) 5.442 4.462 ( 4.188 0.000 -4.613) 6.231 4.524 ( 1.559 0.000 4.869) 5.112 4.588 ( -1.886 0.000 -1.500) 2.410 4.636 ( 4.117 0.000 3.023) 5.108 4.690 ( -7.713 0.000 -3.411) 8.434 4.801 ( -1.031 0.000 0.117) 1.038 4.944 ( 0.821 0.000 1.731) 1.915 5.027 ( 0.102 0.000 -1.819) 1.822 5.038 ( -3.428 0.000 -1.626) 3.794 5.119 ( 5.365 0.000 -1.220) 5.502 5.230 ( -1.930 0.000 1.339) 2.349 5.244 ( -4.459 0.000 7.193) 8.463 5.493 ( 5.021 0.000 -0.286) 5.029 5.521 ( 4.338 0.000 -0.152) 4.341 5.610 ( 1.427 0.000 7.271) 7.409 5.629 ( 4.158 0.000 -2.635) 4.923 5.723 ( -7.836 0.000 0.999) 7.900 5.873 ( -1.048 0.000 1.541) 1.864 5.978 ( -0.137 0.000 -2.203) 2.207 5.982 ( -4.226 0.000 -0.765) 4.295 6.060 ( 3.961 0.000 -7.039) 8.077 6.250 ( 7.342 0.000 1.801) 7.560 6.392 ( -3.799 0.000 -1.361) 4.035 6.435 ( 1.463 0.000 3.241) 3.556 6.543 ( -1.106 0.000 14.061) 14.104 6.638 ( 2.357 0.000 -10.062) 10.334 6.755 ( 1.591 0.000 0.839) 1.798 6.856 ( 2.303 0.000 1.996) 3.048 6.912 ( 4.002 0.000 -2.941) 4.966 7.041 ( 0.647 0.000 -8.974) 8.997 7.125 ( 1.889 0.000 5.945) 6.238 7.237 ( -0.839 0.000 -1.159) 1.431 7.418 ( -1.217 0.000 -2.591) 2.862 7.478 ( 0.316 0.000 -4.181) 4.193 7.657 ( -1.412 0.000 -0.566) 1.521 7.798 ( 0.045 0.000 2.131) 2.132 7.828 ( 2.209 0.000 3.188) 3.878 8.120 ( 16.086 0.000 -1.068) 16.121 8.387 ( 6.136 0.000 0.867) 6.197 8.629 ( 0.875 0.000 5.426) 5.496 8.777 ( -2.120 0.000 -1.002) 2.345 9.012 ( 8.332 0.000 4.491) 9.465 9.225 ( 3.577 0.000 -5.076) 6.210 9.432 ( -4.333 0.000 -2.184) 4.852 9.461 ( 2.437 0.000 -0.082) 2.438 9.605 ( -4.704 0.000 2.913) 5.533 9.614 ( 0.196 0.000 -3.036) 3.042 10.037 ( -8.180 0.000 5.151) 9.666 10.090 ( -9.610 0.000 -1.375) 9.708 10.230 ( -8.100 0.000 -7.233) 10.859 10.467 ( -11.074 0.000 1.526) 11.178 10.550 ( -4.041 0.000 -3.652) 5.447 10.610 ( -3.341 0.000 3.759) 5.029 10.770 ( 1.077 0.000 9.291) 9.354 10.870 ( -3.386 0.000 -1.404) 3.665 11.051 ( -5.189 0.000 -8.444) 9.910 11.336 ( 1.094 0.000 0.293) 1.133 11.366 ( 1.096 0.000 2.115) 2.382 11.984 ( 2.820 0.000 0.953) 2.977 12.029 ( -0.333 0.000 2.059) 2.085 12.110 ( -1.722 0.000 -3.038) 3.492 12.444 ( 1.965 0.000 -2.253) 2.990 12.585 ( 1.507 0.000 -0.869) 1.740 12.599 ( 0.610 0.000 0.077) 0.615 12.839 ( -1.481 0.000 -0.871) 1.718 12.949 ( -6.192 0.000 -3.148) 6.947 13.185 ( -4.273 0.000 -1.660) 4.585 13.554 ( -1.314 0.000 0.185) 1.327 13.789 ( -1.370 0.000 2.160) 2.558 13.822 ( -1.416 0.000 -3.804) 4.059 14.066 ( -0.353 0.000 2.786) 2.809 14.340 ( 1.923 0.000 0.278) 1.943 14.408 ( 6.045 0.000 6.081) 8.574 14.810 ( -5.749 0.000 -4.877) 7.539 14.821 ( 1.482 0.000 0.475) 1.556 15.475 ( 5.502 0.000 0.369) 5.514 15.629 ( 4.381 0.000 0.664) 4.431 15.798 ( 0.004 0.000 -4.192) 4.192 15.817 ( 0.004 0.000 6.422) 6.422 17.657 ( 0.764 0.000 0.579) 0.959 19.292 ( 0.254 0.000 1.770) 1.788 19.613 ( -0.255 0.000 -0.466) 0.532 20.186 ( -4.678 0.000 -5.193) 6.989 20.577 ( 6.713 0.000 3.032) 7.366 20.822 ( -5.790 0.000 1.018) 5.879 21.050 ( -3.672 0.000 -1.408) 3.933 21.077 ( -10.421 0.000 0.806) 10.453 21.427 ( -9.238 0.000 3.557) 9.900 21.488 ( -4.876 0.000 -3.934) 6.265 21.706 ( -2.760 0.000 2.566) 3.769 21.760 ( -2.928 0.000 -1.165) 3.151 23.078 ( -0.251 0.000 -0.083) 0.264 23.321 ( 0.676 0.000 0.022) 0.676 23.875 ( -0.131 0.000 -0.671) 0.683 24.189 ( 1.690 0.000 0.551) 1.777 24.457 ( 10.966 0.000 -3.575) 11.534 24.739 ( 9.610 0.000 4.864) 10.771 24.862 ( 17.835 0.000 -0.767) 17.852 25.261 ( 2.586 0.000 -3.042) 3.992 25.456 ( -3.072 0.000 -0.486) 3.111 25.480 ( -3.263 0.000 -1.503) 3.592 25.521 ( 3.074 0.000 3.385) 4.572 25.760 ( -2.386 0.000 -3.936) 4.603 26.211 ( -3.462 0.000 -0.536) 3.504 26.266 ( -2.679 0.000 2.984) 4.010 26.505 ( -0.610 0.000 0.965) 1.141 26.754 ( -2.344 0.000 -0.051) 2.345 ======================= Grid point 4 (5/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 -0.000) 0.000 2.325 ( 0.000 0.000 -0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 -0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 -0.000) 0.000 4.011 ( 0.000 0.000 -0.000) 0.000 4.012 ( -0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 -0.000) 0.000 4.374 ( 0.000 0.000 -0.000) 0.000 4.384 ( -0.000 0.000 0.000) 0.000 4.426 ( -0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.590 ( -0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 -0.000) 0.000 4.886 ( -0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 -0.000) 0.000 5.226 ( -0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 -0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.643 ( -0.000 0.000 -0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 -0.000) 0.000 6.097 ( 0.000 0.000 -0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 -0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 -0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.874 ( -0.000 0.000 -0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.198 ( -0.000 0.000 -0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 -0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 8.481 ( -0.000 0.000 -0.000) 0.000 8.597 ( -0.000 0.000 0.000) 0.000 8.714 ( -0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 -0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.484 ( -0.000 0.000 -0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.952 ( -0.000 0.000 0.000) 0.000 9.990 ( 0.000 0.000 -0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 -0.000) 0.000 10.596 ( -0.000 0.000 0.000) 0.000 10.831 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 10.914 ( -0.000 0.000 -0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 -0.000) 0.000 12.015 ( 0.000 0.000 -0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.085 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.598 ( 0.000 0.000 0.000) 0.000 12.606 ( 0.000 0.000 -0.000) 0.000 12.822 ( -0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 -0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.542 ( 0.000 0.000 0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 13.825 ( 0.000 0.000 0.000) 0.000 14.072 ( 0.000 0.000 0.000) 0.000 14.356 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 14.841 ( 0.000 0.000 0.000) 0.000 15.532 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.762 ( 0.000 0.000 0.000) 0.000 15.835 ( 0.000 0.000 -0.000) 0.000 17.667 ( 0.000 0.000 0.000) 0.000 19.300 ( 0.000 0.000 0.000) 0.000 19.609 ( 0.000 0.000 -0.000) 0.000 20.122 ( 0.000 0.000 0.000) 0.000 20.699 ( 0.000 0.000 0.000) 0.000 20.765 ( 0.000 0.000 0.000) 0.000 20.919 ( 0.000 0.000 0.000) 0.000 20.997 ( 0.000 0.000 0.000) 0.000 21.361 ( 0.000 0.000 -0.000) 0.000 21.435 ( 0.000 0.000 0.000) 0.000 21.691 ( 0.000 0.000 0.000) 0.000 21.731 ( 0.000 0.000 0.000) 0.000 23.075 ( 0.000 0.000 0.000) 0.000 23.327 ( 0.000 0.000 0.000) 0.000 23.871 ( 0.000 0.000 0.000) 0.000 24.198 ( 0.000 0.000 0.000) 0.000 24.555 ( 0.000 0.000 0.000) 0.000 24.855 ( 0.000 0.000 0.000) 0.000 25.069 ( 0.000 0.000 0.000) 0.000 25.276 ( 0.000 0.000 0.000) 0.000 25.417 ( 0.000 0.000 0.000) 0.000 25.420 ( 0.000 0.000 -0.000) 0.000 25.585 ( 0.000 0.000 -0.000) 0.000 25.703 ( 0.000 0.000 0.000) 0.000 26.173 ( 0.000 0.000 0.000) 0.000 26.249 ( 0.000 0.000 0.000) 0.000 26.502 ( 0.000 0.000 0.000) 0.000 26.730 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 21.891 0.000) 21.891 0.713 ( 0.000 35.197 0.000) 35.197 0.835 ( 0.000 37.375 0.000) 37.375 1.832 ( 0.000 -5.289 0.000) 5.289 1.998 ( 0.000 -5.938 0.000) 5.938 2.287 ( 0.000 -4.630 0.000) 4.630 2.423 ( 0.000 -2.049 0.000) 2.049 2.446 ( 0.000 12.585 0.000) 12.585 2.661 ( 0.000 -7.495 0.000) 7.495 2.758 ( 0.000 -7.491 0.000) 7.491 3.064 ( 0.000 -6.267 0.000) 6.267 3.120 ( 0.000 -5.313 0.000) 5.313 3.159 ( 0.000 -1.279 0.000) 1.279 3.262 ( 0.000 -5.881 0.000) 5.881 3.322 ( 0.000 2.073 0.000) 2.073 3.335 ( 0.000 0.250 0.000) 0.250 3.540 ( 0.000 0.341 0.000) 0.341 3.639 ( 0.000 -10.913 0.000) 10.913 3.750 ( 0.000 1.651 0.000) 1.651 3.803 ( 0.000 -9.628 0.000) 9.628 3.871 ( 0.000 -0.491 0.000) 0.491 3.943 ( 0.000 3.262 0.000) 3.262 4.131 ( 0.000 9.803 0.000) 9.803 4.144 ( 0.000 0.613 0.000) 0.613 4.157 ( 0.000 -2.304 0.000) 2.304 4.268 ( 0.000 13.519 0.000) 13.519 4.338 ( 0.000 -0.023 0.000) 0.023 4.466 ( 0.000 -4.096 0.000) 4.096 4.661 ( 0.000 6.749 0.000) 6.749 4.718 ( 0.000 5.525 0.000) 5.525 4.809 ( 0.000 -6.781 0.000) 6.781 4.896 ( 0.000 -1.636 0.000) 1.636 4.896 ( 0.000 -1.611 0.000) 1.611 5.022 ( 0.000 2.358 0.000) 2.358 5.072 ( 0.000 3.496 0.000) 3.496 5.147 ( 0.000 -1.751 0.000) 1.751 5.165 ( 0.000 -0.165 0.000) 0.165 5.278 ( 0.000 0.858 0.000) 0.858 5.427 ( 0.000 2.204 0.000) 2.204 5.543 ( 0.000 -3.400 0.000) 3.400 5.687 ( 0.000 6.557 0.000) 6.557 5.697 ( 0.000 -7.822 0.000) 7.822 5.900 ( 0.000 3.140 0.000) 3.140 6.017 ( 0.000 -0.729 0.000) 0.729 6.064 ( 0.000 1.776 0.000) 1.776 6.189 ( 0.000 2.106 0.000) 2.106 6.245 ( 0.000 -10.669 0.000) 10.669 6.308 ( 0.000 -4.708 0.000) 4.708 6.434 ( 0.000 -9.867 0.000) 9.867 6.483 ( 0.000 1.875 0.000) 1.875 6.604 ( 0.000 -0.361 0.000) 0.361 6.772 ( 0.000 -1.746 0.000) 1.746 6.828 ( 0.000 -0.056 0.000) 0.056 6.892 ( 0.000 4.625 0.000) 4.625 6.988 ( 0.000 -4.943 0.000) 4.943 7.213 ( 0.000 0.020 0.000) 0.020 7.269 ( 0.000 0.648 0.000) 0.648 7.406 ( 0.000 -1.681 0.000) 1.681 7.481 ( 0.000 -0.092 0.000) 0.092 7.547 ( 0.000 -4.299 0.000) 4.299 7.623 ( 0.000 2.882 0.000) 2.882 7.788 ( 0.000 12.104 0.000) 12.104 7.796 ( 0.000 3.674 0.000) 3.674 7.893 ( 0.000 0.713 0.000) 0.713 8.169 ( 0.000 -3.276 0.000) 3.276 8.401 ( 0.000 7.888 0.000) 7.888 8.710 ( 0.000 -10.282 0.000) 10.282 8.955 ( 0.000 5.953 0.000) 5.953 9.424 ( 0.000 15.460 0.000) 15.460 9.576 ( 0.000 5.813 0.000) 5.813 9.820 ( 0.000 2.452 0.000) 2.452 10.068 ( 0.000 1.612 0.000) 1.612 10.303 ( 0.000 -3.680 0.000) 3.680 10.449 ( 0.000 -4.622 0.000) 4.622 10.652 ( 0.000 -3.002 0.000) 3.002 10.661 ( 0.000 1.759 0.000) 1.759 10.808 ( 0.000 1.529 0.000) 1.529 10.956 ( 0.000 -2.843 0.000) 2.843 10.986 ( 0.000 -4.423 0.000) 4.423 11.039 ( 0.000 2.036 0.000) 2.036 11.253 ( 0.000 0.535 0.000) 0.535 11.358 ( 0.000 3.182 0.000) 3.182 11.410 ( 0.000 -0.156 0.000) 0.156 11.889 ( 0.000 6.461 0.000) 6.461 12.174 ( 0.000 1.446 0.000) 1.446 12.295 ( 0.000 -6.353 0.000) 6.353 12.374 ( 0.000 -4.161 0.000) 4.161 12.442 ( 0.000 4.391 0.000) 4.391 12.490 ( 0.000 -2.191 0.000) 2.191 12.527 ( 0.000 1.011 0.000) 1.011 12.993 ( 0.000 4.735 0.000) 4.735 13.511 ( 0.000 -4.838 0.000) 4.838 13.622 ( 0.000 -2.836 0.000) 2.836 13.832 ( 0.000 0.314 0.000) 0.314 13.886 ( 0.000 -5.997 0.000) 5.997 14.020 ( 0.000 -2.717 0.000) 2.717 14.134 ( 0.000 2.805 0.000) 2.805 14.579 ( 0.000 -2.243 0.000) 2.243 14.694 ( 0.000 -1.314 0.000) 1.314 14.779 ( 0.000 -3.123 0.000) 3.123 15.148 ( 0.000 1.908 0.000) 1.908 15.274 ( 0.000 0.391 0.000) 0.391 15.505 ( 0.000 1.248 0.000) 1.248 15.630 ( 0.000 -0.266 0.000) 0.266 17.767 ( 0.000 16.302 0.000) 16.302 19.297 ( 0.000 5.858 0.000) 5.858 19.687 ( 0.000 5.752 0.000) 5.752 20.363 ( 0.000 -2.785 0.000) 2.785 20.556 ( 0.000 3.718 0.000) 3.718 21.002 ( 0.000 -5.503 0.000) 5.503 21.190 ( 0.000 -3.827 0.000) 3.827 21.499 ( 0.000 2.279 0.000) 2.279 22.148 ( 0.000 -29.593 0.000) 29.593 22.423 ( 0.000 -1.448 0.000) 1.448 22.467 ( 0.000 0.553 0.000) 0.553 22.547 ( 0.000 -0.249 0.000) 0.249 22.577 ( 0.000 -0.582 0.000) 0.582 22.826 ( 0.000 -11.746 0.000) 11.746 23.481 ( 0.000 12.482 0.000) 12.482 23.655 ( 0.000 1.299 0.000) 1.299 23.784 ( 0.000 -0.233 0.000) 0.233 23.934 ( 0.000 -0.592 0.000) 0.592 24.380 ( 0.000 0.509 0.000) 0.509 24.548 ( 0.000 -4.540 0.000) 4.540 25.482 ( 0.000 4.734 0.000) 4.734 25.597 ( 0.000 3.002 0.000) 3.002 25.612 ( 0.000 1.196 0.000) 1.196 25.720 ( 0.000 2.518 0.000) 2.518 26.313 ( 0.000 1.692 0.000) 1.692 26.523 ( 0.000 0.093 0.000) 0.093 26.873 ( 0.000 -0.624 0.000) 0.624 26.894 ( 0.000 -0.628 0.000) 0.628 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 20.518 27.237 -20.809) 39.948 1.020 ( 10.991 30.755 20.435) 38.526 1.274 ( 51.984 6.268 5.441) 52.643 1.902 ( 5.855 -5.544 1.861) 8.276 2.085 ( 10.692 -7.483 -9.696) 16.258 2.284 ( 2.492 -4.163 -5.645) 7.443 2.358 ( -2.753 1.589 0.555) 3.227 2.537 ( 2.359 2.905 6.097) 7.154 2.627 ( -7.848 -3.735 0.585) 8.712 2.777 ( -9.531 -7.770 -3.302) 12.732 3.020 ( 6.851 -4.228 5.108) 9.534 3.176 ( 8.211 -4.707 -1.535) 9.588 3.226 ( -4.239 1.566 3.836) 5.928 3.269 ( -2.599 -4.321 -6.735) 8.413 3.312 ( 4.916 -3.965 -4.021) 7.487 3.354 ( 0.024 0.369 2.876) 2.900 3.504 ( -2.044 2.365 1.600) 3.511 3.552 ( -1.417 -6.142 -1.266) 6.429 3.691 ( -2.786 -1.718 -3.031) 4.461 3.745 ( -4.390 -5.659 -6.979) 10.000 3.847 ( 7.200 -2.435 -0.159) 7.602 3.994 ( -5.172 0.652 -0.001) 5.213 4.094 ( 5.119 5.493 3.523) 8.294 4.206 ( 1.850 7.493 -4.117) 8.747 4.221 ( 5.038 -1.085 1.436) 5.349 4.317 ( -0.276 -7.246 2.656) 7.723 4.398 ( 5.657 2.262 2.972) 6.778 4.587 ( 7.668 -0.176 2.779) 8.157 4.709 ( 2.762 4.600 2.426) 5.889 4.750 ( -0.821 3.717 2.137) 4.365 4.822 ( -1.666 -5.403 5.144) 7.644 4.900 ( 1.904 0.986 -3.393) 4.014 4.920 ( 4.391 0.055 5.153) 6.770 5.028 ( 2.157 3.347 -3.016) 4.995 5.120 ( -0.521 -2.485 2.098) 3.294 5.158 ( 4.506 2.562 -1.553) 5.411 5.209 ( 7.126 -2.866 -2.632) 8.119 5.287 ( 0.047 -1.065 3.043) 3.224 5.463 ( 4.481 1.178 -3.672) 5.912 5.500 ( -9.365 1.005 0.056) 9.419 5.612 ( 3.424 -0.281 1.952) 3.951 5.736 ( -1.034 8.529 -1.204) 8.676 5.900 ( 1.826 -2.960 1.346) 3.729 6.026 ( -3.855 3.654 0.771) 5.368 6.046 ( 0.065 -4.075 -2.994) 5.057 6.106 ( -0.972 5.915 -1.036) 6.084 6.230 ( 0.373 -1.212 -10.031) 10.111 6.311 ( -3.096 -8.534 10.148) 13.617 6.377 ( -2.102 -4.454 1.354) 5.108 6.544 ( 5.356 -4.496 -1.793) 7.219 6.607 ( 1.413 -0.404 -3.828) 4.100 6.712 ( -4.304 2.131 -0.409) 4.820 6.778 ( -1.002 0.191 -3.523) 3.668 6.931 ( -5.945 10.748 -4.795) 13.185 6.998 ( 1.938 0.985 7.591) 7.896 7.058 ( 6.273 -0.602 1.612) 6.504 7.235 ( 0.628 1.594 1.196) 2.089 7.357 ( 3.816 -1.259 -5.360) 6.699 7.501 ( -0.405 -1.297 4.704) 4.896 7.630 ( -1.150 1.732 1.317) 2.461 7.739 ( 1.216 3.663 2.549) 4.626 7.809 ( 0.453 0.074 -1.562) 1.628 7.925 ( 12.766 -0.246 0.054) 12.768 7.995 ( 3.990 4.298 -1.490) 6.051 8.272 ( 5.638 1.923 -3.450) 6.884 8.518 ( 7.968 -9.099 -0.684) 12.114 8.848 ( 7.810 -9.692 -1.746) 12.569 9.052 ( 9.552 -5.138 -3.810) 11.496 9.430 ( 0.250 13.738 0.697) 13.758 9.570 ( 0.015 6.004 -1.878) 6.291 9.771 ( -5.385 2.378 0.910) 5.957 9.925 ( -7.811 7.172 -2.592) 10.917 10.287 ( -3.279 -3.940 2.123) 5.548 10.389 ( -5.813 -2.634 -2.086) 6.714 10.589 ( -5.209 -2.373 -2.666) 6.314 10.631 ( -2.313 1.160 0.642) 2.666 10.780 ( -2.791 0.643 -0.171) 2.869 10.838 ( -9.676 -3.757 0.519) 10.392 10.945 ( -4.918 -0.378 -0.005) 4.932 11.046 ( -0.550 3.012 -0.841) 3.175 11.221 ( -1.382 -0.628 0.072) 1.520 11.317 ( -1.897 2.882 -1.262) 3.674 11.357 ( -0.461 3.387 0.110) 3.420 11.913 ( 2.267 6.131 0.405) 6.549 12.111 ( -4.665 1.245 1.233) 4.983 12.284 ( -1.460 -2.669 -2.058) 3.672 12.378 ( -1.490 1.196 0.574) 1.995 12.444 ( 4.059 -5.565 -3.687) 7.813 12.552 ( 1.857 -0.128 1.042) 2.133 12.881 ( 14.393 -19.394 -4.888) 24.641 12.979 ( -1.557 3.760 1.817) 4.457 13.445 ( -4.491 -2.588 -6.160) 8.051 13.591 ( -3.292 -3.306 1.496) 4.899 13.801 ( 0.130 2.106 -3.302) 3.919 13.929 ( -0.730 -7.874 6.859) 10.468 14.074 ( 3.534 -2.968 2.826) 5.412 14.151 ( 1.106 1.169 4.593) 4.867 14.363 ( -9.082 4.740 -9.067) 13.680 14.770 ( -1.278 -3.518 3.428) 5.075 14.916 ( 1.095 -9.135 11.798) 14.961 15.204 ( 5.537 1.036 -0.374) 5.646 15.394 ( 8.311 -8.179 12.459) 17.065 15.514 ( 1.304 1.654 1.310) 2.480 15.719 ( 6.452 -0.509 -0.982) 6.547 17.776 ( 0.725 16.223 0.273) 16.242 19.309 ( 0.823 6.018 1.039) 6.162 19.686 ( -0.586 5.486 1.504) 5.718 20.347 ( -0.255 -4.192 -3.724) 5.613 20.522 ( -2.694 4.457 -1.607) 5.450 20.993 ( -2.430 -6.010 5.778) 8.684 21.192 ( -1.125 -3.459 1.963) 4.133 21.420 ( -7.986 10.896 -7.814) 15.606 21.711 ( -19.523 -0.124 8.274) 21.204 22.073 ( -17.532 0.344 -3.536) 17.889 22.211 ( -17.924 0.281 -1.506) 17.989 22.278 ( -22.078 1.156 2.750) 22.279 22.749 ( 7.052 -18.877 0.952) 20.174 22.988 ( 4.805 -19.958 -1.720) 20.600 23.726 ( 16.303 1.322 -4.139) 16.872 23.831 ( 12.100 8.347 -2.479) 14.907 23.935 ( 24.615 2.970 -5.549) 25.407 24.075 ( 6.243 4.683 5.750) 9.693 24.536 ( 1.437 -4.718 -1.406) 5.128 24.796 ( 23.294 -19.084 -5.103) 30.542 25.488 ( 0.381 4.714 0.685) 4.779 25.571 ( -1.301 3.878 -0.556) 4.128 25.600 ( -1.467 1.657 0.395) 2.248 25.758 ( 2.889 -0.488 -1.935) 3.511 26.309 ( -1.537 1.066 3.060) 3.587 26.500 ( -2.899 0.299 0.270) 2.927 26.684 ( -11.043 9.225 -0.112) 14.390 26.873 ( -2.490 -0.253 -0.385) 2.533 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 24.209 17.969 -21.095) 36.796 1.369 ( 11.407 24.742 17.242) 32.243 1.938 ( -13.109 -1.797 -11.879) 17.781 2.076 ( -4.895 -4.255 1.864) 6.748 2.113 ( 16.561 -6.534 6.857) 19.079 2.225 ( 2.968 -9.714 -2.438) 10.446 2.449 ( 7.591 -4.958 5.277) 10.490 2.570 ( 3.564 -0.284 5.925) 6.920 2.593 ( 5.330 3.572 3.679) 7.396 2.660 ( 9.157 0.429 -11.173) 14.453 3.079 ( -5.623 0.422 1.076) 5.741 3.153 ( 1.600 2.635 0.451) 3.116 3.187 ( -1.774 -5.503 -5.331) 7.864 3.310 ( 4.244 -2.649 2.525) 5.604 3.343 ( 1.863 2.507 1.769) 3.590 3.402 ( 1.112 -2.225 -4.301) 4.968 3.485 ( -0.655 -4.015 -5.139) 6.555 3.631 ( -1.136 -1.340 -0.795) 1.928 3.713 ( 8.929 1.672 2.198) 9.346 3.761 ( 16.657 -1.947 1.153) 16.810 3.945 ( 0.172 -2.488 1.676) 3.005 4.021 ( 9.603 -5.835 -0.748) 11.262 4.162 ( 1.088 1.298 -1.618) 2.342 4.214 ( 1.185 1.527 -4.941) 5.306 4.301 ( 3.504 -3.461 1.615) 5.183 4.368 ( 1.808 -5.527 6.470) 8.699 4.471 ( 1.332 -1.221 -1.945) 2.655 4.638 ( -1.404 0.466 -3.285) 3.603 4.739 ( -1.960 3.245 4.516) 5.896 4.805 ( 3.139 -1.195 1.515) 3.685 4.832 ( 0.922 1.286 -0.648) 1.710 4.872 ( -0.461 4.326 1.196) 4.512 5.022 ( 0.016 -1.350 -4.781) 4.968 5.077 ( 6.077 5.729 2.357) 8.677 5.160 ( -0.888 -1.435 5.774) 6.016 5.216 ( 1.683 -2.043 3.689) 4.541 5.324 ( -4.030 -0.131 4.565) 6.091 5.355 ( 5.810 -1.949 -2.206) 6.513 5.394 ( 5.758 2.477 2.211) 6.647 5.531 ( 3.979 -1.821 -4.841) 6.526 5.574 ( -1.193 6.457 -3.176) 7.294 5.827 ( 3.094 2.049 4.045) 5.490 5.909 ( -3.963 3.766 2.495) 6.009 5.993 ( 3.123 -3.225 -2.843) 5.314 6.014 ( 0.000 0.859 -2.332) 2.485 6.133 ( -2.124 1.345 -11.282) 11.559 6.147 ( 2.536 5.151 4.197) 7.112 6.313 ( -0.805 -8.450 5.921) 10.350 6.397 ( 1.211 -3.929 3.199) 5.210 6.590 ( -2.283 -0.149 2.149) 3.139 6.611 ( 3.239 -1.448 -8.139) 8.879 6.686 ( 2.139 -1.696 2.459) 3.674 6.749 ( 0.039 -0.374 -2.864) 2.888 6.886 ( 1.341 4.335 -2.263) 5.071 7.041 ( 0.189 0.307 3.253) 3.273 7.175 ( 1.160 3.056 -0.251) 3.278 7.249 ( 1.776 1.946 -0.375) 2.661 7.372 ( 1.328 -3.026 -0.883) 3.421 7.562 ( 3.765 2.416 -8.248) 9.383 7.689 ( 5.935 0.874 6.627) 8.939 7.765 ( 0.359 5.631 4.700) 7.343 7.805 ( 0.434 2.468 -1.454) 2.898 7.948 ( 2.290 2.089 -2.200) 3.801 8.289 ( 10.550 -2.139 1.174) 10.828 8.394 ( 11.962 4.577 3.497) 13.277 8.634 ( 3.916 -9.304 1.196) 10.165 8.954 ( 4.526 0.532 1.865) 4.924 9.164 ( 6.642 -8.950 -10.192) 15.103 9.431 ( -0.817 9.085 0.460) 9.133 9.550 ( -1.116 3.836 -2.447) 4.685 9.649 ( -7.092 2.820 1.130) 7.715 9.792 ( -5.472 5.584 -0.566) 7.838 10.153 ( -11.619 -4.767 4.065) 13.201 10.265 ( -6.141 0.100 -0.802) 6.194 10.432 ( -8.089 -0.861 -4.948) 9.521 10.597 ( -5.055 -3.810 1.083) 6.422 10.639 ( -6.514 0.270 -1.023) 6.599 10.723 ( -4.002 -0.519 4.107) 5.758 10.791 ( -10.996 0.445 1.860) 11.161 10.984 ( -4.189 2.458 -2.203) 5.333 11.188 ( -2.380 0.897 -4.249) 4.953 11.308 ( 0.519 -0.800 2.213) 2.410 11.360 ( 0.802 3.573 0.334) 3.677 11.970 ( 2.837 4.445 0.606) 5.308 12.039 ( -3.157 0.025 1.740) 3.605 12.220 ( -2.171 3.838 -3.125) 5.405 12.387 ( 1.981 -2.303 -1.464) 3.372 12.504 ( 3.414 -5.139 -1.854) 6.442 12.577 ( 0.333 -0.340 0.607) 0.771 12.919 ( 0.114 -2.533 -9.030) 9.379 12.966 ( -3.414 -5.793 2.567) 7.198 13.301 ( -6.525 -1.237 -3.459) 7.488 13.532 ( -3.530 -4.346 1.810) 5.884 13.807 ( 0.887 2.896 1.014) 3.194 13.917 ( -2.415 -4.602 -1.230) 5.340 14.094 ( -4.989 2.226 2.623) 6.061 14.221 ( 3.363 -2.868 -0.581) 4.457 14.258 ( 3.665 -1.373 3.372) 5.166 14.769 ( 0.006 -2.911 1.503) 3.276 14.898 ( -4.040 -4.038 -0.603) 5.744 15.339 ( 7.657 0.279 0.677) 7.692 15.566 ( 3.195 0.873 0.625) 3.371 15.622 ( 6.632 -7.222 9.530) 13.674 15.806 ( 3.070 -0.166 -2.033) 3.686 17.795 ( 0.968 16.023 0.519) 16.061 19.335 ( 0.959 6.364 1.557) 6.622 19.684 ( -0.303 5.602 0.835) 5.672 20.276 ( -4.550 -5.537 -7.206) 10.163 20.491 ( 1.115 3.087 1.601) 3.652 20.960 ( -6.348 -3.144 7.640) 10.419 21.121 ( -7.541 -0.348 0.943) 7.607 21.229 ( -3.567 5.350 -4.097) 7.624 21.572 ( -4.172 -4.052 -0.165) 5.818 21.715 ( -19.099 1.086 -0.287) 19.132 21.864 ( -14.546 1.755 -0.889) 14.679 21.935 ( -11.866 3.426 1.758) 12.475 22.821 ( 1.375 -22.113 0.340) 22.158 23.044 ( 2.045 -21.525 -0.528) 21.628 23.871 ( 3.573 -0.580 -4.841) 6.045 24.075 ( 8.357 1.135 2.505) 8.798 24.302 ( 15.827 6.890 0.239) 17.263 24.438 ( 24.231 5.183 1.779) 24.842 24.600 ( 7.817 -1.246 -2.075) 8.183 25.074 ( 10.723 -11.692 -5.289) 16.724 25.507 ( 0.957 4.291 1.349) 4.598 25.543 ( -1.959 3.420 -0.151) 3.944 25.569 ( -1.355 3.023 0.043) 3.313 25.780 ( 0.810 -1.087 -2.960) 3.255 26.286 ( -2.568 0.730 2.413) 3.598 26.394 ( -7.440 3.239 0.509) 8.130 26.561 ( -3.046 4.926 1.167) 5.908 26.809 ( -3.525 -0.384 -0.210) 3.552 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -23.710 -3.766 -12.053) 26.863 1.471 ( 13.436 14.551 -12.937) 23.656 1.639 ( 5.393 22.280 7.384) 24.084 2.029 ( -5.306 0.999 4.675) 7.142 2.125 ( -2.328 -16.933 1.575) 17.164 2.346 ( 3.662 -4.213 4.352) 7.078 2.581 ( 0.314 0.822 0.469) 0.997 2.613 ( 5.043 -6.610 7.027) 10.886 2.741 ( 2.932 0.455 -7.362) 7.938 2.932 ( 4.975 2.996 7.152) 9.213 2.994 ( 3.270 -3.180 -3.909) 6.007 3.102 ( -3.579 -0.403 -0.716) 3.672 3.180 ( -3.764 -4.296 -3.661) 6.784 3.369 ( 5.803 1.269 -7.246) 9.369 3.440 ( 1.612 -3.661 -0.274) 4.010 3.485 ( 7.131 -0.407 1.799) 7.366 3.512 ( 9.017 -0.662 4.709) 10.194 3.672 ( 7.975 2.076 -1.903) 8.458 3.866 ( 5.290 7.700 5.727) 10.958 3.989 ( 1.819 -1.904 4.729) 5.413 4.071 ( -1.421 -1.495 -3.205) 3.811 4.157 ( 4.162 -8.801 -1.460) 9.844 4.168 ( 8.234 -2.801 -0.889) 8.743 4.241 ( 8.463 -6.025 -2.977) 10.807 4.385 ( -0.615 -2.942 2.949) 4.211 4.424 ( 2.308 -4.532 -3.826) 6.364 4.494 ( 4.111 -2.975 1.876) 5.411 4.548 ( -1.856 1.534 -5.394) 5.907 4.695 ( -2.854 4.657 -2.278) 5.918 4.803 ( -2.724 -1.614 2.114) 3.807 4.859 ( -1.021 -4.902 -2.676) 5.678 4.900 ( 3.326 11.392 2.757) 12.183 5.016 ( 3.826 1.609 -0.160) 4.154 5.141 ( -2.768 4.300 3.203) 6.034 5.174 ( 1.319 1.331 -2.182) 2.876 5.233 ( -3.820 -0.513 2.132) 4.405 5.276 ( -0.230 7.256 4.997) 8.813 5.436 ( 3.925 -3.855 0.054) 5.502 5.527 ( 1.955 -1.145 -2.058) 3.061 5.543 ( 2.091 -1.951 5.466) 6.169 5.634 ( 4.805 1.148 -1.462) 5.152 5.777 ( -7.496 4.378 1.256) 8.771 5.870 ( -0.703 0.166 -0.331) 0.794 5.982 ( -4.403 0.573 -2.344) 5.020 5.997 ( 0.559 0.379 -0.205) 0.705 6.079 ( 2.876 1.476 -4.930) 5.895 6.267 ( 3.607 1.448 4.207) 5.728 6.360 ( 3.095 -5.984 1.693) 6.947 6.437 ( 2.469 -1.275 -3.434) 4.417 6.558 ( -3.108 -0.236 6.664) 7.357 6.617 ( 2.349 0.097 -6.302) 6.726 6.746 ( 0.462 -1.780 1.795) 2.569 6.770 ( 2.932 -3.910 2.997) 5.732 6.909 ( 2.885 1.355 -3.304) 4.591 7.039 ( -1.369 -0.722 -2.105) 2.613 7.163 ( -0.448 1.499 3.998) 4.293 7.264 ( 0.394 2.623 -4.617) 5.324 7.403 ( 1.347 0.926 0.541) 1.721 7.554 ( 0.364 4.963 -6.974) 8.568 7.763 ( 0.126 6.133 1.751) 6.379 7.779 ( 0.095 0.381 1.516) 1.565 7.869 ( 2.930 5.644 1.911) 6.641 8.125 ( 14.668 0.736 0.087) 14.686 8.426 ( 6.798 3.013 0.677) 7.467 8.607 ( 1.437 -1.842 4.648) 5.202 8.698 ( 2.149 -6.378 0.652) 6.762 9.059 ( 4.970 2.813 2.223) 6.128 9.234 ( 6.923 -8.935 -7.949) 13.818 9.396 ( -2.772 6.702 -0.010) 7.253 9.492 ( -4.076 0.058 -0.175) 4.080 9.532 ( -3.828 -1.115 0.632) 4.037 9.709 ( -3.198 5.717 0.365) 6.561 9.967 ( -9.046 -4.455 3.998) 10.848 10.111 ( -8.531 0.026 -1.019) 8.592 10.241 ( -7.662 1.404 -5.235) 9.386 10.431 ( -7.284 -2.792 0.731) 7.835 10.566 ( -6.831 1.000 -2.234) 7.256 10.627 ( -3.130 1.755 2.505) 4.377 10.717 ( -0.433 -3.471 6.158) 7.082 10.901 ( -2.780 2.330 0.780) 3.710 11.082 ( -4.047 2.737 -7.598) 9.034 11.340 ( 0.764 -2.014 2.640) 3.407 11.381 ( 1.019 3.246 -0.424) 3.428 12.006 ( 0.291 0.643 -0.060) 0.708 12.016 ( -0.467 -1.008 2.021) 2.306 12.191 ( 0.780 8.672 -2.308) 9.008 12.418 ( 1.928 -2.536 -1.646) 3.586 12.545 ( 1.169 -4.709 0.450) 4.873 12.580 ( 0.177 -0.812 -0.257) 0.870 12.851 ( -1.162 -6.441 -7.768) 10.158 12.912 ( -3.280 4.455 4.157) 6.920 13.173 ( -4.673 -1.619 -1.860) 5.283 13.487 ( -1.946 -5.260 1.103) 5.716 13.811 ( -2.829 1.443 1.275) 3.422 13.865 ( 1.171 2.564 -3.461) 4.464 14.041 ( -1.882 -1.944 2.450) 3.650 14.271 ( 1.469 -6.749 -0.245) 6.911 14.390 ( 5.407 -1.881 6.098) 8.364 14.776 ( -2.338 -2.398 -3.076) 4.548 14.813 ( -0.493 -1.345 -1.000) 1.747 15.479 ( 5.582 0.482 0.978) 5.688 15.636 ( 3.688 0.482 0.836) 3.813 15.754 ( 2.977 -3.767 3.679) 6.049 15.810 ( -1.014 -0.657 -2.454) 2.736 17.815 ( 0.696 15.765 0.456) 15.786 19.359 ( 0.541 6.654 1.157) 6.775 19.687 ( 0.222 6.727 0.287) 6.737 20.128 ( -5.299 -5.918 -4.917) 9.342 20.579 ( 5.943 0.429 2.626) 6.512 20.847 ( -6.599 1.485 1.615) 6.954 20.995 ( -6.340 -3.272 1.000) 7.204 21.134 ( -6.047 4.042 -1.869) 7.510 21.421 ( -9.774 -0.490 2.249) 10.042 21.469 ( -3.973 -1.303 -2.886) 5.081 21.717 ( -1.910 1.383 0.440) 2.399 21.794 ( -4.929 2.646 0.662) 5.633 22.835 ( 0.255 -22.225 0.024) 22.227 23.067 ( 0.755 -22.100 -0.169) 22.114 23.881 ( 0.267 0.263 -1.296) 1.349 24.156 ( 0.693 -3.259 0.519) 3.372 24.560 ( 10.329 7.951 -2.105) 13.203 24.776 ( 9.857 2.572 2.257) 10.434 24.875 ( 16.911 1.052 0.931) 16.970 25.190 ( 4.203 -6.535 -2.414) 8.137 25.486 ( -3.060 2.963 -0.236) 4.266 25.521 ( -1.567 4.249 0.084) 4.529 25.573 ( 2.227 4.512 1.305) 5.198 25.756 ( -1.416 0.069 -2.550) 2.918 26.236 ( -3.572 1.705 -0.646) 4.011 26.278 ( -4.070 1.065 2.029) 4.671 26.532 ( -1.083 2.561 0.873) 2.914 26.748 ( -2.395 -0.571 -0.145) 2.467 ======================= Grid point 13 (10/72) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 -2.201 0.000) 2.201 1.587 ( 0.000 13.806 0.000) 13.806 1.720 ( 0.000 18.911 -0.000) 18.911 1.973 ( 0.000 0.369 -0.000) 0.369 2.112 ( 0.000 -19.113 0.000) 19.113 2.482 ( 0.000 -3.924 0.000) 3.924 2.499 ( -0.000 4.106 -0.000) 4.106 2.685 ( 0.000 6.053 0.000) 6.053 2.725 ( 0.000 -8.698 -0.000) 8.698 3.029 ( 0.000 1.704 0.000) 1.704 3.032 ( 0.000 -16.749 -0.000) 16.749 3.062 ( -0.000 2.060 -0.000) 2.060 3.072 ( 0.000 0.228 0.000) 0.228 3.428 ( 0.000 3.423 0.000) 3.423 3.432 ( 0.000 -3.345 -0.000) 3.345 3.562 ( 0.000 0.005 -0.000) 0.005 3.637 ( 0.000 2.176 0.000) 2.176 3.831 ( 0.000 1.723 0.000) 1.723 3.937 ( 0.000 6.175 0.000) 6.175 4.010 ( 0.000 -0.546 -0.000) 0.546 4.019 ( -0.000 0.152 0.000) 0.152 4.197 ( 0.000 -12.673 -0.000) 12.673 4.203 ( -0.000 -10.924 0.000) 10.924 4.351 ( 0.000 -2.531 0.000) 2.531 4.358 ( 0.000 -3.074 -0.000) 3.074 4.429 ( 0.000 -1.774 0.000) 1.774 4.546 ( 0.000 -0.253 0.000) 0.253 4.582 ( -0.000 3.012 0.000) 3.012 4.637 ( 0.000 5.822 0.000) 5.822 4.797 ( 0.000 -4.715 -0.000) 4.715 4.800 ( 0.000 -3.493 0.000) 3.493 5.002 ( 0.000 14.039 0.000) 14.039 5.063 ( 0.000 1.491 0.000) 1.491 5.081 ( 0.000 4.192 0.000) 4.192 5.184 ( 0.000 -1.249 0.000) 1.249 5.199 ( 0.000 -2.126 0.000) 2.126 5.280 ( 0.000 9.312 0.000) 9.312 5.484 ( 0.000 -6.105 -0.000) 6.105 5.538 ( 0.000 -1.452 0.000) 1.452 5.575 ( 0.000 0.971 0.000) 0.971 5.674 ( 0.000 1.293 0.000) 1.293 5.694 ( 0.000 1.012 -0.000) 1.012 5.862 ( 0.000 0.693 0.000) 0.693 5.926 ( 0.000 2.310 -0.000) 2.310 6.007 ( 0.000 1.249 0.000) 1.249 6.095 ( 0.000 -0.267 -0.000) 0.267 6.309 ( 0.000 -2.123 0.000) 2.123 6.411 ( 0.000 -5.602 -0.000) 5.602 6.438 ( 0.000 6.849 0.000) 6.849 6.552 ( 0.000 -6.707 -0.000) 6.707 6.625 ( 0.000 1.234 0.000) 1.234 6.764 ( 0.000 -6.912 -0.000) 6.912 6.798 ( 0.000 2.413 0.000) 2.413 6.970 ( 0.000 0.733 0.000) 0.733 6.987 ( 0.000 -1.187 0.000) 1.187 7.192 ( 0.000 -0.081 0.000) 0.081 7.233 ( 0.000 2.326 -0.000) 2.326 7.420 ( 0.000 1.640 0.000) 1.640 7.525 ( 0.000 6.671 0.000) 6.671 7.766 ( 0.000 8.226 0.000) 8.226 7.789 ( 0.000 -1.632 0.000) 1.632 7.905 ( -0.000 7.341 0.000) 7.341 8.318 ( 0.000 -0.969 0.000) 0.969 8.554 ( 0.000 6.421 -0.000) 6.421 8.579 ( -0.000 -2.215 0.000) 2.215 8.679 ( -0.000 -3.516 0.000) 3.516 9.132 ( 0.000 -0.668 -0.000) 0.668 9.271 ( 0.000 -11.125 0.000) 11.125 9.384 ( 0.000 11.137 0.000) 11.137 9.437 ( 0.000 -2.864 -0.000) 2.864 9.514 ( 0.000 -3.956 0.000) 3.956 9.674 ( 0.000 3.689 0.000) 3.689 9.872 ( -0.000 -4.773 0.000) 4.773 10.013 ( -0.000 -0.249 -0.000) 0.249 10.134 ( 0.000 3.978 0.000) 3.978 10.358 ( 0.000 0.626 0.000) 0.626 10.484 ( 0.000 -0.822 -0.000) 0.822 10.610 ( 0.000 1.276 0.000) 1.276 10.736 ( 0.000 -5.417 0.000) 5.417 10.898 ( 0.000 3.314 0.000) 3.314 10.992 ( -0.000 3.968 -0.000) 3.968 11.357 ( 0.000 -2.130 0.000) 2.130 11.389 ( 0.000 3.048 0.000) 3.048 12.005 ( 0.000 -0.681 0.000) 0.681 12.020 ( 0.000 -1.585 0.000) 1.585 12.197 ( 0.000 10.376 -0.000) 10.376 12.433 ( 0.000 -2.474 0.000) 2.474 12.555 ( 0.000 -4.999 -0.000) 4.999 12.584 ( 0.000 -0.686 0.000) 0.686 12.813 ( 0.000 -5.984 0.000) 5.984 12.893 ( 0.000 6.242 -0.000) 6.242 13.118 ( 0.000 -1.731 0.000) 1.731 13.471 ( 0.000 -5.611 0.000) 5.611 13.776 ( 0.000 1.703 0.000) 1.703 13.877 ( 0.000 3.697 0.000) 3.697 14.032 ( 0.000 -3.754 0.000) 3.754 14.281 ( 0.000 -7.410 0.000) 7.410 14.484 ( 0.000 -3.092 0.000) 3.092 14.703 ( 0.000 -0.371 -0.000) 0.371 14.827 ( 0.000 -1.357 0.000) 1.357 15.540 ( 0.000 0.753 0.000) 0.753 15.700 ( 0.000 0.366 -0.000) 0.366 15.758 ( 0.000 -0.443 0.000) 0.443 15.799 ( 0.000 -3.259 -0.000) 3.259 17.824 ( 0.000 15.650 0.000) 15.650 19.368 ( 0.000 6.759 0.000) 6.759 19.692 ( 0.000 7.844 -0.000) 7.844 20.056 ( 0.000 -6.918 0.000) 6.918 20.689 ( 0.000 -0.860 0.000) 0.860 20.774 ( 0.000 0.358 0.000) 0.358 20.905 ( 0.000 -0.290 0.000) 0.290 21.046 ( 0.000 4.238 0.000) 4.238 21.350 ( 0.000 -1.175 -0.000) 1.175 21.423 ( 0.000 -0.855 0.000) 0.855 21.720 ( 0.000 2.910 0.000) 2.910 21.737 ( -0.000 0.223 0.000) 0.223 22.837 ( 0.000 -22.216 0.000) 22.216 23.074 ( 0.000 -22.208 0.000) 22.208 23.879 ( 0.000 0.380 0.000) 0.380 24.159 ( 0.000 -3.765 0.000) 3.765 24.655 ( 0.000 8.092 0.000) 8.092 24.893 ( 0.000 2.739 -0.000) 2.739 25.061 ( 0.000 -0.970 0.000) 0.970 25.221 ( 0.000 -5.032 0.000) 5.032 25.447 ( 0.000 3.187 0.000) 3.187 25.490 ( 0.000 6.295 0.000) 6.295 25.620 ( 0.000 3.285 -0.000) 3.285 25.719 ( 0.000 1.577 0.000) 1.577 26.187 ( 0.000 1.233 0.000) 1.233 26.251 ( 0.000 0.153 0.000) 0.153 26.524 ( 0.000 2.110 0.000) 2.110 26.724 ( 0.000 -0.644 0.000) 0.644 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 22.714 0.000) 22.714 1.347 ( 0.000 28.794 0.000) 28.794 1.395 ( 0.000 19.594 0.000) 19.594 1.773 ( 0.000 -0.403 0.000) 0.403 1.868 ( 0.000 -5.464 0.000) 5.464 2.156 ( 0.000 -6.597 0.000) 6.597 2.343 ( 0.000 -8.123 0.000) 8.123 2.381 ( 0.000 -18.557 0.000) 18.557 2.642 ( 0.000 -4.087 0.000) 4.087 2.688 ( 0.000 5.189 0.000) 5.189 2.827 ( 0.000 -8.254 0.000) 8.254 3.002 ( 0.000 -6.039 0.000) 6.039 3.224 ( 0.000 0.385 0.000) 0.385 3.254 ( 0.000 6.668 0.000) 6.668 3.355 ( 0.000 -2.199 0.000) 2.199 3.367 ( 0.000 0.951 0.000) 0.951 3.418 ( 0.000 -6.398 0.000) 6.398 3.568 ( 0.000 2.399 0.000) 2.399 3.583 ( 0.000 -8.893 0.000) 8.893 3.819 ( 0.000 4.903 0.000) 4.903 3.868 ( 0.000 0.902 0.000) 0.902 4.000 ( 0.000 2.417 0.000) 2.417 4.072 ( 0.000 -4.778 0.000) 4.778 4.165 ( 0.000 -1.126 0.000) 1.126 4.218 ( 0.000 -0.699 0.000) 0.699 4.347 ( 0.000 -0.073 0.000) 0.073 4.462 ( 0.000 7.812 0.000) 7.812 4.601 ( 0.000 -5.816 0.000) 5.816 4.618 ( 0.000 12.481 0.000) 12.481 4.665 ( 0.000 -3.773 0.000) 3.773 4.795 ( 0.000 1.427 0.000) 1.427 4.918 ( 0.000 0.332 0.000) 0.332 4.957 ( 0.000 5.734 0.000) 5.734 5.079 ( 0.000 -3.341 0.000) 3.341 5.098 ( 0.000 -1.494 0.000) 1.494 5.159 ( 0.000 9.907 0.000) 9.907 5.187 ( 0.000 1.861 0.000) 1.861 5.297 ( 0.000 2.068 0.000) 2.068 5.431 ( 0.000 -8.146 0.000) 8.146 5.520 ( 0.000 7.975 0.000) 7.975 5.545 ( 0.000 -6.262 0.000) 6.262 5.799 ( 0.000 3.831 0.000) 3.831 5.855 ( 0.000 -13.286 0.000) 13.286 5.945 ( 0.000 1.046 0.000) 1.046 6.091 ( 0.000 -2.765 0.000) 2.765 6.157 ( 0.000 4.005 0.000) 4.005 6.194 ( 0.000 -2.265 0.000) 2.265 6.237 ( 0.000 -8.587 0.000) 8.587 6.281 ( 0.000 2.865 0.000) 2.865 6.516 ( 0.000 1.449 0.000) 1.449 6.561 ( 0.000 -7.764 0.000) 7.764 6.679 ( 0.000 -3.602 0.000) 3.602 6.844 ( 0.000 2.185 0.000) 2.185 6.956 ( 0.000 1.558 0.000) 1.558 6.986 ( 0.000 3.235 0.000) 3.235 7.197 ( 0.000 -1.970 0.000) 1.970 7.263 ( 0.000 -0.919 0.000) 0.919 7.347 ( 0.000 -4.245 0.000) 4.245 7.480 ( 0.000 -0.028 0.000) 0.028 7.485 ( 0.000 -2.106 0.000) 2.106 7.638 ( 0.000 0.274 0.000) 0.274 7.785 ( 0.000 -2.863 0.000) 2.863 7.963 ( 0.000 4.456 0.000) 4.456 8.000 ( 0.000 6.407 0.000) 6.407 8.140 ( 0.000 0.455 0.000) 0.455 8.473 ( 0.000 -12.301 0.000) 12.301 8.664 ( 0.000 18.512 0.000) 18.512 9.084 ( 0.000 6.309 0.000) 6.309 9.734 ( 0.000 9.496 0.000) 9.496 9.736 ( 0.000 12.603 0.000) 12.603 9.903 ( 0.000 7.189 0.000) 7.189 10.116 ( 0.000 3.031 0.000) 3.031 10.187 ( 0.000 -7.326 0.000) 7.326 10.381 ( 0.000 -2.921 0.000) 2.921 10.594 ( 0.000 -2.392 0.000) 2.392 10.661 ( 0.000 -1.781 0.000) 1.781 10.847 ( 0.000 2.465 0.000) 2.465 10.903 ( 0.000 -2.862 0.000) 2.862 10.908 ( 0.000 -1.744 0.000) 1.744 11.089 ( 0.000 2.753 0.000) 2.753 11.271 ( 0.000 1.076 0.000) 1.076 11.361 ( 0.000 -4.124 0.000) 4.124 11.424 ( 0.000 2.517 0.000) 2.517 12.015 ( 0.000 5.550 0.000) 5.550 12.178 ( 0.000 -4.805 0.000) 4.805 12.213 ( 0.000 -12.410 0.000) 12.410 12.217 ( 0.000 2.961 0.000) 2.961 12.430 ( 0.000 -3.158 0.000) 3.158 12.563 ( 0.000 7.286 0.000) 7.286 12.573 ( 0.000 3.540 0.000) 3.540 13.103 ( 0.000 6.024 0.000) 6.024 13.394 ( 0.000 -6.490 0.000) 6.490 13.551 ( 0.000 -3.998 0.000) 3.998 13.729 ( 0.000 -9.422 0.000) 9.422 13.841 ( 0.000 0.583 0.000) 0.583 13.955 ( 0.000 -3.555 0.000) 3.555 14.207 ( 0.000 4.502 0.000) 4.502 14.516 ( 0.000 -4.246 0.000) 4.246 14.666 ( 0.000 -1.354 0.000) 1.354 14.709 ( 0.000 -3.465 0.000) 3.465 15.194 ( 0.000 2.516 0.000) 2.516 15.279 ( 0.000 -0.009 0.000) 0.009 15.537 ( 0.000 1.867 0.000) 1.867 15.621 ( 0.000 -0.654 0.000) 0.654 18.219 ( 0.000 29.162 0.000) 29.162 19.443 ( 0.000 8.168 0.000) 8.168 19.793 ( 0.000 3.650 0.000) 3.650 20.213 ( 0.000 -15.627 0.000) 15.627 20.667 ( 0.000 6.614 0.000) 6.614 20.827 ( 0.000 -10.327 0.000) 10.327 21.116 ( 0.000 -2.076 0.000) 2.076 21.572 ( 0.000 5.511 0.000) 5.511 21.636 ( 0.000 -19.179 0.000) 19.179 22.333 ( 0.000 -10.194 0.000) 10.194 22.482 ( 0.000 0.983 0.000) 0.983 22.540 ( 0.000 -0.444 0.000) 0.444 22.561 ( 0.000 -0.950 0.000) 0.950 22.612 ( 0.000 -7.880 0.000) 7.880 23.577 ( 0.000 0.013 0.000) 0.013 23.649 ( 0.000 -2.204 0.000) 2.204 23.814 ( 0.000 3.484 0.000) 3.484 23.965 ( 0.000 1.994 0.000) 1.994 24.381 ( 0.000 -0.268 0.000) 0.268 24.454 ( 0.000 -4.289 0.000) 4.289 25.593 ( 0.000 5.995 0.000) 5.995 25.649 ( 0.000 2.403 0.000) 2.403 25.662 ( 0.000 3.131 0.000) 3.131 25.761 ( 0.000 1.228 0.000) 1.228 26.360 ( 0.000 2.930 0.000) 2.930 26.517 ( 0.000 -0.949 0.000) 0.949 26.861 ( 0.000 -0.483 0.000) 0.483 26.879 ( 0.000 -0.818 0.000) 0.818 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 18.356 12.267 -1.710) 22.143 1.460 ( 18.929 19.022 -0.829) 26.848 1.524 ( 15.959 13.627 1.721) 21.055 1.836 ( 4.241 -0.312 6.237) 7.549 1.917 ( 3.914 -7.339 -4.911) 9.659 2.131 ( -1.781 -6.645 3.603) 7.766 2.370 ( 0.244 -10.159 -5.699) 11.651 2.382 ( 5.609 -5.917 -1.338) 8.262 2.662 ( -2.381 0.006 -1.608) 2.873 2.725 ( 0.777 1.297 0.219) 1.528 2.947 ( 12.180 -4.503 8.400) 15.466 3.035 ( 4.551 -4.198 -4.194) 7.478 3.191 ( -2.114 -6.017 -6.515) 9.117 3.246 ( -2.558 0.812 1.884) 3.279 3.314 ( -0.094 1.433 0.374) 1.484 3.392 ( 4.254 0.865 -3.178) 5.380 3.458 ( 1.820 1.883 1.304) 2.926 3.510 ( -2.282 -2.649 -2.133) 4.096 3.634 ( -1.117 -1.632 4.158) 4.604 3.688 ( -3.146 -0.395 -0.379) 3.193 3.823 ( -0.343 0.181 -0.309) 0.496 4.030 ( -4.774 3.211 -0.875) 5.819 4.068 ( 0.558 -6.674 1.225) 6.809 4.163 ( 4.216 -2.089 -5.456) 7.205 4.223 ( -1.351 -0.105 7.699) 7.818 4.407 ( -0.012 8.574 -4.493) 9.680 4.479 ( 3.030 -4.852 5.718) 8.088 4.591 ( 0.884 7.581 1.565) 7.791 4.618 ( 1.801 -5.139 -1.064) 5.548 4.785 ( 5.348 -2.545 2.800) 6.551 4.830 ( 0.311 1.982 2.943) 3.562 4.912 ( 1.033 -0.420 -4.483) 4.620 4.989 ( 4.604 5.770 0.522) 7.400 5.060 ( -1.387 -1.913 -2.393) 3.363 5.109 ( 2.200 3.478 1.606) 4.418 5.184 ( -0.756 0.261 3.774) 3.858 5.235 ( 7.133 4.238 -1.231) 8.388 5.271 ( -0.940 -1.130 0.751) 1.650 5.456 ( 3.089 -2.217 -6.463) 7.499 5.531 ( -1.072 2.937 0.819) 3.232 5.613 ( 7.133 2.452 0.651) 7.571 5.813 ( 1.060 -2.842 2.982) 4.254 5.889 ( -2.002 -3.528 -1.271) 4.251 5.920 ( 4.280 -0.790 -1.099) 4.489 6.104 ( -2.906 0.521 7.162) 7.747 6.124 ( -2.822 -2.830 -1.424) 4.243 6.206 ( 1.659 4.004 0.961) 4.439 6.243 ( 1.124 -5.724 1.679) 6.070 6.263 ( -0.293 0.630 -6.057) 6.096 6.503 ( 1.052 -0.992 -1.304) 1.947 6.571 ( 0.805 -4.909 -2.424) 5.534 6.699 ( 0.710 -4.643 1.525) 4.938 6.780 ( -5.104 2.974 -3.086) 6.664 6.973 ( 0.533 -0.968 0.561) 1.239 7.082 ( 8.226 2.532 2.053) 8.848 7.125 ( -5.609 5.297 5.287) 9.353 7.256 ( 0.747 0.601 -1.696) 1.948 7.341 ( 2.694 0.741 -4.271) 5.104 7.476 ( 2.064 -1.058 1.706) 2.879 7.597 ( 3.506 -4.723 -1.128) 5.990 7.745 ( 9.847 -1.582 -0.617) 9.992 7.789 ( 1.223 -2.833 0.777) 3.182 7.983 ( 1.617 5.299 -1.240) 5.677 8.093 ( 5.460 3.530 -2.957) 7.143 8.210 ( 10.007 -4.576 0.410) 11.012 8.486 ( 2.929 -5.490 -4.100) 7.452 8.719 ( 2.984 8.306 5.979) 10.660 9.097 ( 1.488 4.200 -1.401) 4.671 9.667 ( -3.923 8.948 -0.531) 9.784 9.782 ( 1.628 12.467 -1.389) 12.649 9.840 ( -6.155 5.618 0.680) 8.361 10.030 ( -6.883 4.119 -0.249) 8.025 10.181 ( -3.545 -5.496 4.954) 8.205 10.342 ( -3.408 -2.612 -1.852) 4.676 10.537 ( -4.442 -2.139 -2.723) 5.632 10.617 ( -4.172 -2.799 -0.501) 5.049 10.782 ( -7.218 -0.023 0.984) 7.284 10.806 ( -4.420 0.907 0.349) 4.525 10.926 ( -2.497 -0.609 -0.708) 2.666 11.101 ( -0.070 2.289 -0.289) 2.308 11.230 ( -2.757 1.404 0.728) 3.178 11.361 ( -0.601 -2.780 1.631) 3.279 11.383 ( -1.635 3.139 -4.043) 5.373 12.021 ( -0.359 3.788 2.232) 4.411 12.122 ( -4.472 -2.170 -1.386) 5.160 12.207 ( 2.983 -3.455 -1.513) 4.809 12.283 ( 4.162 -7.727 -2.122) 9.029 12.477 ( -2.294 6.549 -1.116) 7.028 12.498 ( 1.161 -4.800 4.806) 6.891 12.704 ( 7.413 0.209 -1.282) 7.526 13.086 ( -1.341 5.926 -0.741) 6.121 13.350 ( -3.834 -5.891 -1.876) 7.275 13.515 ( -3.687 -4.140 1.218) 5.676 13.741 ( 0.881 -10.297 0.522) 10.348 13.845 ( 0.149 1.478 1.029) 1.807 14.001 ( 3.598 -3.973 1.265) 5.508 14.191 ( -1.206 2.887 3.188) 4.466 14.397 ( -7.303 -0.992 -7.134) 10.257 14.700 ( -0.578 -2.707 4.219) 5.046 14.780 ( 2.670 -4.943 7.626) 9.472 15.231 ( 4.368 1.594 -1.033) 4.763 15.316 ( 4.952 -1.785 1.386) 5.443 15.563 ( 2.734 2.875 0.389) 3.987 15.699 ( 6.199 -1.411 -1.275) 6.485 18.224 ( 0.467 28.807 -0.088) 28.811 19.460 ( 1.670 8.502 -0.124) 8.665 19.782 ( -1.649 2.420 2.151) 3.633 20.192 ( -0.305 -14.327 -6.300) 15.653 20.626 ( -4.819 4.849 2.860) 7.411 20.834 ( 0.210 -7.531 3.350) 8.245 21.115 ( -1.652 -2.565 2.998) 4.277 21.548 ( -7.562 -9.577 -3.729) 12.760 21.561 ( -0.916 4.483 -0.671) 4.625 22.139 ( -18.695 3.447 0.024) 19.011 22.212 ( -16.691 -0.678 -2.706) 16.922 22.307 ( -20.052 1.274 3.090) 20.329 22.493 ( -6.101 -8.493 0.003) 10.457 22.584 ( -0.745 -18.868 -0.559) 18.891 23.718 ( 12.383 -0.476 -4.660) 13.239 23.912 ( 16.207 -2.671 -7.131) 17.907 24.001 ( 17.932 4.318 4.670) 19.027 24.124 ( 12.479 1.550 5.959) 13.915 24.461 ( 5.171 -2.050 -1.797) 5.846 24.565 ( 14.408 -6.800 -0.809) 15.952 25.597 ( 0.479 5.856 -0.295) 5.883 25.644 ( -0.601 2.719 0.389) 2.812 25.651 ( -1.276 3.675 0.869) 3.986 25.771 ( 1.121 0.674 -1.178) 1.761 26.347 ( -1.790 2.563 1.654) 3.536 26.493 ( -2.652 -1.027 0.436) 2.877 26.779 ( -6.423 2.350 -0.383) 6.850 26.861 ( -2.240 -0.948 -0.934) 2.606 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 10.803 4.702 -17.012) 20.694 1.638 ( -5.852 -2.126 12.447) 13.917 1.775 ( -5.600 -9.152 0.966) 10.773 1.930 ( 1.911 1.525 -2.579) 3.554 2.030 ( 14.269 -7.151 1.547) 16.036 2.236 ( -1.127 7.409 -1.257) 7.599 2.382 ( 8.512 -0.189 3.829) 9.336 2.549 ( 3.445 -1.913 -0.341) 3.956 2.633 ( 12.179 2.204 -4.414) 13.140 2.722 ( 4.169 3.281 -2.319) 5.790 3.019 ( 1.100 -5.421 -6.256) 8.351 3.117 ( 0.605 -0.894 -1.572) 1.907 3.216 ( 3.010 -2.456 3.775) 5.417 3.284 ( 1.710 5.269 4.876) 7.380 3.340 ( -0.304 -2.083 0.464) 2.156 3.433 ( 0.844 -0.816 -2.944) 3.169 3.485 ( 8.471 5.071 0.941) 9.918 3.605 ( 3.912 -1.361 -2.356) 4.765 3.639 ( 9.928 -0.635 4.463) 10.904 3.776 ( 5.515 0.041 3.578) 6.574 3.866 ( 9.613 -8.214 -3.476) 13.113 3.953 ( -2.694 2.321 2.133) 4.147 4.104 ( 1.079 -4.192 4.375) 6.154 4.184 ( 2.785 -0.701 -6.315) 6.937 4.258 ( 0.828 -2.280 4.288) 4.926 4.391 ( 0.426 4.258 -5.178) 6.718 4.509 ( -2.724 3.045 -1.169) 4.249 4.557 ( -1.400 -9.886 1.166) 10.052 4.654 ( -1.225 0.639 -3.515) 3.776 4.806 ( 1.424 -2.459 1.004) 3.013 4.882 ( -1.142 1.320 -1.001) 2.012 4.970 ( 3.419 -3.531 10.169) 11.295 5.005 ( -0.269 -0.334 -4.529) 4.550 5.077 ( 2.043 3.964 4.405) 6.268 5.179 ( 3.878 -0.363 0.185) 3.899 5.219 ( 0.881 0.766 -1.221) 1.689 5.333 ( 6.748 4.824 4.199) 9.297 5.369 ( 5.359 0.247 1.349) 5.532 5.485 ( 2.477 0.016 -1.914) 3.130 5.522 ( 0.869 7.530 -2.011) 7.842 5.680 ( 0.660 3.716 -3.927) 5.447 5.851 ( 0.397 -2.055 1.635) 2.656 5.893 ( 3.453 -2.650 3.222) 5.415 6.001 ( -5.385 2.529 -1.038) 6.039 6.055 ( 4.460 2.312 0.691) 5.071 6.101 ( -2.226 -7.309 2.951) 8.190 6.194 ( 0.533 5.143 -7.696) 9.272 6.252 ( 1.358 1.251 0.252) 1.863 6.299 ( 3.189 -3.187 1.160) 4.655 6.531 ( 1.500 -2.905 0.067) 3.270 6.573 ( 1.522 -5.083 -3.282) 6.239 6.665 ( -1.411 -0.828 -3.092) 3.498 6.719 ( -2.289 -3.920 3.097) 5.495 6.971 ( 0.933 0.870 0.102) 1.280 7.082 ( -2.608 5.126 3.824) 6.907 7.211 ( -1.983 2.250 3.501) 4.610 7.287 ( 6.226 2.361 -4.293) 7.922 7.370 ( 3.052 2.166 -0.028) 3.742 7.575 ( 7.090 -0.517 -8.780) 11.297 7.699 ( 5.853 -0.789 7.309) 9.397 7.796 ( 2.931 0.692 3.028) 4.270 7.941 ( 3.684 6.956 -1.837) 8.083 7.997 ( 4.989 1.819 -0.698) 5.356 8.224 ( 9.862 -2.778 0.312) 10.251 8.421 ( 8.992 -8.850 -0.113) 12.617 8.548 ( 6.566 2.918 -4.094) 8.270 8.825 ( 4.498 -4.451 4.006) 7.490 9.114 ( 1.375 1.044 -2.273) 2.854 9.577 ( -4.426 4.776 -2.397) 6.939 9.682 ( -8.550 7.688 0.161) 11.500 9.748 ( -7.116 5.263 -0.199) 8.853 9.922 ( -3.305 8.281 0.021) 8.917 10.068 ( -10.550 -3.524 5.230) 12.291 10.246 ( -6.197 -1.909 -0.735) 6.526 10.417 ( -5.805 -0.394 -2.913) 6.507 10.489 ( -7.668 -4.986 -1.306) 9.239 10.695 ( -2.646 2.006 3.896) 5.119 10.707 ( -5.470 0.648 -0.104) 5.509 10.808 ( -8.826 1.973 0.661) 9.068 11.035 ( -4.907 2.266 -2.060) 5.784 11.221 ( -0.121 2.644 0.808) 2.768 11.312 ( -2.349 2.026 -2.541) 4.009 11.378 ( 1.035 -2.957 0.078) 3.134 12.003 ( -2.913 -2.699 2.389) 4.634 12.058 ( -1.365 2.844 -1.199) 3.375 12.264 ( 4.638 -1.898 -4.495) 6.732 12.345 ( 3.783 -7.484 -3.106) 8.942 12.451 ( -1.490 8.584 5.446) 10.274 12.528 ( 0.669 -6.175 0.003) 6.211 12.773 ( 1.043 -1.962 -3.178) 3.878 13.054 ( -1.441 5.939 -0.416) 6.126 13.239 ( -5.721 -4.063 -2.298) 7.383 13.443 ( -4.314 -4.502 1.921) 6.524 13.759 ( 0.280 -11.542 0.709) 11.567 13.862 ( 1.144 2.807 0.697) 3.110 14.070 ( 1.509 -3.959 2.540) 4.940 14.207 ( -6.805 0.914 -6.306) 9.323 14.233 ( 2.468 -0.690 5.996) 6.521 14.714 ( 0.975 -2.037 0.983) 2.463 14.811 ( -1.640 -4.395 0.576) 4.726 15.350 ( 7.256 0.788 1.150) 7.389 15.475 ( 7.430 -4.838 5.664) 10.521 15.634 ( 4.300 3.124 -0.720) 5.363 15.787 ( 3.441 -1.596 -2.644) 4.624 18.234 ( 0.608 28.005 -0.019) 28.012 19.498 ( 2.160 9.369 -0.225) 9.618 19.766 ( -1.081 -0.232 2.257) 2.513 20.115 ( -3.946 -11.346 -6.377) 13.600 20.563 ( -2.134 3.646 2.967) 5.162 20.868 ( -0.187 -4.664 4.995) 6.837 21.060 ( -6.375 -2.011 3.447) 7.521 21.361 ( -6.811 3.899 -4.985) 9.298 21.523 ( -2.895 0.910 -1.661) 3.460 21.757 ( -19.087 3.394 -1.170) 19.421 21.896 ( -13.497 0.748 -1.272) 13.577 21.997 ( -11.641 2.551 2.391) 12.155 22.391 ( -4.011 -19.444 0.138) 19.854 22.580 ( 0.242 -23.825 -0.489) 23.831 23.862 ( 4.600 0.072 -3.694) 5.900 24.053 ( 3.006 -3.473 0.214) 4.598 24.400 ( 17.873 3.382 3.215) 18.472 24.508 ( 22.219 1.364 0.412) 22.265 24.603 ( 10.857 1.645 -1.278) 11.055 24.856 ( 13.926 -9.385 -1.939) 16.905 25.599 ( -0.415 4.502 -1.300) 4.704 25.632 ( -1.107 5.221 2.277) 5.803 25.639 ( 0.048 3.574 0.401) 3.597 25.779 ( 0.429 0.342 -1.610) 1.701 26.312 ( -2.888 1.744 1.842) 3.844 26.415 ( -5.707 -0.440 0.122) 5.725 26.658 ( -5.075 4.187 -0.013) 6.579 26.795 ( -3.606 -1.087 -0.657) 3.824 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -22.430 -9.634 -8.870) 25.973 1.617 ( 1.606 -14.883 -0.116) 14.969 1.797 ( 3.700 1.837 -1.945) 4.566 1.875 ( 0.237 -0.451 -4.507) 4.536 2.140 ( -7.512 5.830 1.072) 9.569 2.287 ( 9.094 -2.289 3.316) 9.947 2.486 ( -0.370 -3.596 10.999) 11.578 2.563 ( -0.768 -2.900 0.744) 3.091 2.694 ( 6.235 -3.753 -12.204) 14.209 2.997 ( 1.824 0.984 -3.147) 3.768 3.043 ( 7.238 2.858 4.261) 8.872 3.101 ( -0.251 2.677 -1.241) 2.962 3.202 ( -3.280 7.731 -2.513) 8.766 3.355 ( 6.114 -2.791 -0.587) 6.746 3.446 ( 3.924 6.280 4.706) 8.774 3.520 ( 2.174 3.117 2.995) 4.838 3.568 ( 8.919 5.086 5.494) 11.645 3.651 ( 6.008 -2.058 -1.214) 6.465 3.862 ( 2.196 -7.871 -2.301) 8.489 3.926 ( 7.676 -2.716 -1.646) 8.307 4.024 ( 4.945 -3.445 1.816) 6.294 4.082 ( 7.128 3.782 5.179) 9.588 4.142 ( 0.237 -0.031 -2.477) 2.488 4.183 ( 5.669 0.727 -2.557) 6.261 4.314 ( 3.116 -4.530 0.595) 5.530 4.357 ( -2.774 -0.440 -0.561) 2.864 4.446 ( 0.061 -2.658 2.107) 3.392 4.566 ( -1.054 -10.719 -2.815) 11.132 4.584 ( 5.007 -1.906 -8.567) 10.105 4.801 ( -2.897 -2.489 -5.635) 6.808 4.837 ( -3.545 3.241 4.576) 6.634 5.021 ( 2.710 1.442 0.159) 3.074 5.068 ( 0.966 -5.346 6.838) 8.734 5.137 ( 2.318 6.237 1.615) 6.847 5.183 ( -1.361 -1.438 -0.769) 2.124 5.275 ( 2.157 2.764 1.340) 3.754 5.402 ( -0.670 3.595 3.883) 5.334 5.477 ( 2.250 -3.438 0.199) 4.114 5.516 ( 1.430 12.737 -1.266) 12.879 5.552 ( 2.428 1.749 2.838) 4.124 5.684 ( 3.082 2.610 -2.654) 4.833 5.824 ( -7.161 -1.120 -5.559) 9.134 5.888 ( -0.642 0.873 5.146) 5.259 5.979 ( -2.950 -1.596 2.028) 3.920 6.014 ( 2.720 3.342 -0.102) 4.310 6.129 ( -1.535 -1.367 1.154) 2.357 6.176 ( 1.932 -2.357 -7.253) 7.868 6.306 ( 4.201 -0.829 -1.981) 4.718 6.372 ( 4.335 -2.008 -1.788) 5.102 6.525 ( -2.123 -2.750 -0.810) 3.567 6.588 ( 0.753 -6.020 0.172) 6.069 6.669 ( -1.582 -4.579 -0.840) 4.917 6.742 ( 5.531 0.410 7.607) 9.414 6.990 ( 0.475 0.797 -0.932) 1.315 7.061 ( -0.780 6.729 -0.330) 6.782 7.193 ( -1.370 2.619 6.419) 7.066 7.312 ( 0.204 2.192 -7.461) 7.779 7.425 ( 1.634 0.234 0.234) 1.667 7.643 ( 4.345 3.283 -5.841) 7.986 7.755 ( -0.760 -0.934 3.900) 4.082 7.884 ( -0.430 6.825 0.074) 6.839 8.058 ( 10.418 9.749 1.460) 14.343 8.158 ( 10.391 2.840 0.764) 10.799 8.419 ( 8.331 -5.004 0.818) 9.753 8.527 ( 2.993 -7.445 0.827) 8.067 8.675 ( 5.803 5.683 -0.589) 8.144 8.926 ( 4.187 -14.026 -0.442) 14.645 9.125 ( 0.859 -0.103 -1.729) 1.934 9.471 ( -4.734 -0.545 -1.077) 4.886 9.509 ( -9.686 1.107 0.073) 9.749 9.608 ( -3.612 7.313 0.106) 8.157 9.827 ( -7.040 4.372 0.871) 8.333 9.911 ( -7.962 -0.249 2.231) 8.273 10.082 ( -8.967 -2.584 -1.485) 9.449 10.295 ( -3.727 4.138 -1.347) 5.729 10.390 ( -1.768 -0.727 0.158) 1.918 10.578 ( -8.404 0.406 0.488) 8.428 10.660 ( -4.018 0.326 2.508) 4.747 10.693 ( -1.890 2.210 -0.167) 2.913 10.964 ( -0.801 3.478 2.588) 4.408 11.158 ( -3.910 6.367 -6.613) 9.978 11.303 ( 0.583 -1.509 2.355) 2.857 11.396 ( 0.769 -2.942 -0.465) 3.077 11.970 ( -1.309 -4.332 0.959) 4.626 12.031 ( -0.972 2.919 -0.439) 3.108 12.326 ( 4.148 -2.284 -4.348) 6.429 12.388 ( 3.127 -2.962 -4.243) 6.046 12.453 ( -3.631 2.652 9.088) 10.139 12.558 ( 3.282 -1.381 -1.518) 3.870 12.738 ( -1.969 -1.283 -2.682) 3.566 13.031 ( -0.625 6.208 -0.338) 6.249 13.125 ( -4.518 -2.520 -1.180) 5.306 13.385 ( -2.603 -4.923 1.389) 5.739 13.755 ( -0.726 -9.897 0.197) 9.926 13.898 ( 2.214 2.210 0.089) 3.129 14.045 ( -4.788 2.938 0.871) 5.684 14.115 ( -0.006 -7.550 -2.204) 7.866 14.336 ( 3.517 -3.589 5.603) 7.526 14.736 ( -0.419 -1.395 -2.451) 2.851 14.775 ( 0.586 -2.209 -1.006) 2.497 15.493 ( 5.723 0.966 2.203) 6.208 15.619 ( 4.265 -2.764 4.263) 6.634 15.709 ( 3.381 0.150 -0.250) 3.394 15.792 ( -0.717 -1.145 -3.758) 3.994 18.245 ( 0.424 27.215 0.064) 27.218 19.532 ( 1.347 10.288 -0.118) 10.376 19.778 ( 1.474 -3.433 1.386) 3.985 19.977 ( -6.478 -6.184 -3.430) 9.591 20.599 ( 3.714 1.572 2.149) 4.570 20.832 ( -5.951 -3.696 1.564) 7.178 20.976 ( -2.354 3.372 2.370) 4.746 21.235 ( -5.509 6.138 -2.564) 8.638 21.393 ( -8.310 -2.333 -1.129) 8.704 21.486 ( -6.526 3.664 -0.360) 7.493 21.737 ( -3.119 -0.810 -0.425) 3.251 21.853 ( -5.081 3.700 0.646) 6.318 22.338 ( -1.625 -25.661 -0.070) 25.713 22.583 ( 0.201 -25.295 -0.218) 25.297 23.888 ( 0.601 0.671 -1.299) 1.581 24.073 ( -0.254 -4.870 0.264) 4.884 24.694 ( 10.805 5.222 -0.200) 12.003 24.822 ( 10.608 2.327 -0.158) 10.862 24.879 ( 14.160 -1.072 1.215) 14.253 25.048 ( 6.834 -7.016 -0.942) 9.840 25.564 ( -2.100 4.672 -0.418) 5.140 25.623 ( -0.914 5.157 1.085) 5.348 25.666 ( 2.071 4.456 0.148) 4.916 25.768 ( -0.651 0.898 -0.825) 1.382 26.262 ( -3.030 1.055 0.172) 3.213 26.295 ( -5.414 0.464 0.274) 5.441 26.592 ( -2.117 3.253 0.473) 3.910 26.730 ( -2.513 -1.293 -0.276) 2.840 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 -6.847 0.000) 6.847 1.627 ( 0.000 -23.333 0.000) 23.333 1.855 ( 0.000 -3.540 -0.000) 3.540 1.861 ( -0.000 4.116 0.000) 4.116 2.045 ( 0.000 7.243 -0.000) 7.243 2.398 ( 0.000 -2.397 0.000) 2.397 2.503 ( 0.000 -3.464 -0.000) 3.464 2.559 ( 0.000 -7.419 0.000) 7.419 2.730 ( 0.000 -10.751 0.000) 10.751 2.988 ( 0.000 5.730 0.000) 5.730 3.073 ( 0.000 10.013 -0.000) 10.013 3.113 ( 0.000 2.834 -0.000) 2.834 3.165 ( 0.000 10.996 0.000) 10.996 3.447 ( 0.000 -2.137 -0.000) 2.137 3.451 ( 0.000 8.832 0.000) 8.832 3.588 ( 0.000 2.642 -0.000) 2.642 3.702 ( 0.000 1.577 0.000) 1.577 3.799 ( 0.000 -3.741 0.000) 3.741 3.848 ( -0.000 -8.615 -0.000) 8.615 3.952 ( 0.000 -2.233 0.000) 2.233 4.025 ( 0.000 -1.259 -0.000) 1.259 4.099 ( 0.000 0.121 0.000) 0.121 4.146 ( 0.000 4.674 0.000) 4.674 4.292 ( 0.000 -2.625 0.000) 2.625 4.302 ( -0.000 -2.503 -0.000) 2.503 4.409 ( 0.000 0.022 -0.000) 0.022 4.507 ( 0.000 -5.905 0.000) 5.905 4.556 ( 0.000 -10.617 0.000) 10.617 4.630 ( -0.000 2.485 0.000) 2.485 4.721 ( 0.000 -4.752 -0.000) 4.752 4.790 ( 0.000 3.142 0.000) 3.142 5.078 ( 0.000 -0.020 -0.000) 0.020 5.092 ( 0.000 -5.544 0.000) 5.544 5.135 ( 0.000 -0.752 0.000) 0.752 5.171 ( 0.000 5.172 0.000) 5.172 5.326 ( 0.000 10.900 -0.000) 10.900 5.396 ( -0.000 -0.517 0.000) 0.517 5.475 ( 0.000 7.546 0.000) 7.546 5.493 ( 0.000 -3.952 0.000) 3.952 5.665 ( 0.000 -2.300 0.000) 2.300 5.666 ( -0.000 7.970 -0.000) 7.970 5.721 ( 0.000 2.235 -0.000) 2.235 5.874 ( -0.000 -0.988 0.000) 0.988 5.978 ( 0.000 0.649 -0.000) 0.649 6.059 ( 0.000 6.563 0.000) 6.563 6.097 ( 0.000 -0.202 -0.000) 0.202 6.174 ( 0.000 -9.603 -0.000) 9.603 6.344 ( 0.000 0.662 -0.000) 0.662 6.441 ( -0.000 -3.269 0.000) 3.269 6.469 ( 0.000 -3.045 -0.000) 3.045 6.600 ( 0.000 -10.474 0.000) 10.474 6.638 ( 0.000 -0.439 0.000) 0.439 6.855 ( 0.000 2.222 0.000) 2.222 6.986 ( 0.000 0.526 0.000) 0.526 7.057 ( 0.000 7.678 0.000) 7.678 7.219 ( 0.000 3.135 0.000) 3.135 7.257 ( -0.000 0.140 -0.000) 0.140 7.438 ( 0.000 -0.459 -0.000) 0.459 7.666 ( 0.000 5.984 0.000) 5.984 7.758 ( 0.000 -1.273 0.000) 1.273 7.877 ( 0.000 6.499 0.000) 6.499 8.159 ( 0.000 14.499 0.000) 14.499 8.316 ( 0.000 1.007 0.000) 1.007 8.494 ( 0.000 -6.809 0.000) 6.809 8.584 ( 0.000 -5.920 0.000) 5.920 8.717 ( 0.000 10.201 -0.000) 10.201 8.959 ( 0.000 -17.490 0.000) 17.490 9.123 ( 0.000 -1.293 0.000) 1.293 9.391 ( 0.000 -2.125 0.000) 2.125 9.432 ( 0.000 -3.456 0.000) 3.456 9.598 ( 0.000 7.776 0.000) 7.776 9.753 ( -0.000 4.601 0.000) 4.601 9.793 ( -0.000 -3.322 -0.000) 3.322 9.978 ( -0.000 -2.948 0.000) 2.948 10.261 ( 0.000 8.086 0.000) 8.086 10.402 ( 0.000 4.778 0.000) 4.778 10.462 ( 0.000 -1.349 -0.000) 1.349 10.637 ( 0.000 1.327 0.000) 1.327 10.659 ( 0.000 -2.455 -0.000) 2.455 11.029 ( 0.000 -0.838 0.000) 0.838 11.040 ( -0.000 12.369 -0.000) 12.369 11.320 ( 0.000 -1.368 0.000) 1.368 11.401 ( 0.000 -3.097 0.000) 3.097 11.961 ( 0.000 -4.702 0.000) 4.702 12.020 ( 0.000 2.744 0.000) 2.744 12.355 ( 0.000 -3.700 0.000) 3.700 12.423 ( 0.000 6.991 -0.000) 6.991 12.426 ( -0.000 -7.378 0.000) 7.378 12.601 ( 0.000 2.801 0.000) 2.801 12.699 ( 0.000 -2.536 0.000) 2.536 13.026 ( 0.000 6.626 -0.000) 6.626 13.072 ( 0.000 -2.239 0.000) 2.239 13.363 ( 0.000 -5.095 0.000) 5.095 13.746 ( 0.000 -8.378 0.000) 8.378 13.933 ( -0.000 1.821 0.000) 1.821 13.987 ( 0.000 1.888 0.000) 1.888 14.109 ( 0.000 -8.085 0.000) 8.085 14.397 ( 0.000 -5.770 0.000) 5.770 14.705 ( 0.000 0.571 -0.000) 0.571 14.794 ( 0.000 -1.957 0.000) 1.957 15.561 ( 0.000 1.412 0.000) 1.412 15.711 ( -0.000 0.685 -0.000) 0.685 15.716 ( 0.000 -3.822 0.000) 3.822 15.757 ( 0.000 -0.727 0.000) 0.727 18.249 ( 0.000 26.882 0.000) 26.882 19.545 ( 0.000 10.659 0.000) 10.659 19.835 ( 0.000 -16.123 0.000) 16.123 19.862 ( -0.000 7.494 -0.000) 7.494 20.673 ( 0.000 -0.528 0.000) 0.528 20.753 ( 0.000 -2.386 0.000) 2.386 20.958 ( 0.000 6.634 -0.000) 6.634 21.147 ( 0.000 5.878 0.000) 5.878 21.317 ( -0.000 -2.090 -0.000) 2.090 21.427 ( 0.000 2.186 0.000) 2.186 21.715 ( 0.000 -3.347 0.000) 3.347 21.803 ( 0.000 5.487 0.000) 5.487 22.323 ( 0.000 -27.487 0.000) 27.487 22.584 ( 0.000 -25.626 0.000) 25.626 23.888 ( 0.000 0.785 0.000) 0.785 24.068 ( 0.000 -4.996 0.000) 4.996 24.799 ( 0.000 5.851 0.000) 5.851 24.938 ( 0.000 1.999 -0.000) 1.999 25.025 ( 0.000 -2.858 0.000) 2.858 25.111 ( 0.000 -5.312 0.000) 5.312 25.536 ( 0.000 5.512 -0.000) 5.512 25.615 ( 0.000 5.418 0.000) 5.418 25.694 ( 0.000 3.832 0.000) 3.832 25.756 ( 0.000 1.857 0.000) 1.857 26.212 ( 0.000 1.232 -0.000) 1.232 26.252 ( 0.000 -0.033 0.000) 0.033 26.574 ( 0.000 2.754 0.000) 2.754 26.704 ( 0.000 -1.362 0.000) 1.362 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 21.217 0.000) 21.217 1.579 ( 0.000 -3.050 0.000) 3.050 1.798 ( 0.000 15.973 0.000) 15.973 1.836 ( 0.000 2.561 0.000) 2.561 1.843 ( 0.000 7.701 0.000) 7.701 1.979 ( 0.000 -12.781 0.000) 12.781 2.070 ( 0.000 -8.785 0.000) 8.785 2.111 ( 0.000 -12.796 0.000) 12.796 2.610 ( 0.000 1.262 0.000) 1.262 2.670 ( 0.000 -3.615 0.000) 3.615 2.806 ( 0.000 3.946 0.000) 3.946 2.898 ( 0.000 -4.758 0.000) 4.758 3.095 ( 0.000 -8.370 0.000) 8.370 3.106 ( 0.000 -10.046 0.000) 10.046 3.393 ( 0.000 2.037 0.000) 2.037 3.411 ( 0.000 0.392 0.000) 0.392 3.543 ( 0.000 2.185 0.000) 2.185 3.580 ( 0.000 15.428 0.000) 15.428 3.598 ( 0.000 1.101 0.000) 1.101 3.879 ( 0.000 -7.461 0.000) 7.461 3.922 ( 0.000 4.823 0.000) 4.823 3.957 ( 0.000 -1.611 0.000) 1.611 4.042 ( 0.000 1.650 0.000) 1.650 4.093 ( 0.000 -4.891 0.000) 4.891 4.293 ( 0.000 8.151 0.000) 8.151 4.335 ( 0.000 -0.335 0.000) 0.335 4.427 ( 0.000 -4.030 0.000) 4.030 4.551 ( 0.000 -8.301 0.000) 8.301 4.646 ( 0.000 9.160 0.000) 9.160 4.823 ( 0.000 -8.053 0.000) 8.053 4.851 ( 0.000 7.058 0.000) 7.058 4.873 ( 0.000 5.302 0.000) 5.302 4.977 ( 0.000 -6.230 0.000) 6.230 4.999 ( 0.000 -5.752 0.000) 5.752 5.151 ( 0.000 8.774 0.000) 8.774 5.227 ( 0.000 3.154 0.000) 3.154 5.271 ( 0.000 -6.429 0.000) 6.429 5.294 ( 0.000 -0.015 0.000) 0.015 5.369 ( 0.000 5.237 0.000) 5.237 5.473 ( 0.000 -3.137 0.000) 3.137 5.666 ( 0.000 -2.041 0.000) 2.041 5.698 ( 0.000 3.189 0.000) 3.189 5.866 ( 0.000 9.562 0.000) 9.562 5.968 ( 0.000 2.049 0.000) 2.049 6.028 ( 0.000 -3.877 0.000) 3.877 6.097 ( 0.000 -6.562 0.000) 6.562 6.168 ( 0.000 0.388 0.000) 0.388 6.239 ( 0.000 -0.743 0.000) 0.743 6.328 ( 0.000 -8.766 0.000) 8.766 6.328 ( 0.000 0.178 0.000) 0.178 6.553 ( 0.000 3.208 0.000) 3.208 6.629 ( 0.000 -3.373 0.000) 3.373 6.918 ( 0.000 4.866 0.000) 4.866 6.996 ( 0.000 -2.166 0.000) 2.166 7.024 ( 0.000 4.698 0.000) 4.698 7.124 ( 0.000 -5.153 0.000) 5.153 7.248 ( 0.000 -0.139 0.000) 0.139 7.272 ( 0.000 -2.681 0.000) 2.681 7.464 ( 0.000 -0.014 0.000) 0.014 7.474 ( 0.000 -0.618 0.000) 0.618 7.660 ( 0.000 2.152 0.000) 2.152 7.719 ( 0.000 -3.580 0.000) 3.580 8.033 ( 0.000 2.575 0.000) 2.575 8.057 ( 0.000 0.417 0.000) 0.417 8.177 ( 0.000 3.277 0.000) 3.277 8.277 ( 0.000 -7.370 0.000) 7.370 9.013 ( 0.000 14.083 0.000) 14.083 9.154 ( 0.000 -0.596 0.000) 0.596 9.867 ( 0.000 3.435 0.000) 3.435 9.888 ( 0.000 3.720 0.000) 3.720 10.072 ( 0.000 4.878 0.000) 4.878 10.077 ( 0.000 -1.776 0.000) 1.776 10.173 ( 0.000 4.396 0.000) 4.396 10.301 ( 0.000 -5.831 0.000) 5.831 10.571 ( 0.000 0.227 0.000) 0.227 10.607 ( 0.000 -3.069 0.000) 3.069 10.874 ( 0.000 0.688 0.000) 0.688 10.887 ( 0.000 -0.666 0.000) 0.666 10.942 ( 0.000 6.532 0.000) 6.532 11.093 ( 0.000 -5.375 0.000) 5.375 11.252 ( 0.000 -2.378 0.000) 2.378 11.269 ( 0.000 -1.475 0.000) 1.475 11.571 ( 0.000 13.239 0.000) 13.239 11.897 ( 0.000 -18.125 0.000) 18.125 12.094 ( 0.000 2.584 0.000) 2.584 12.128 ( 0.000 -1.485 0.000) 1.485 12.286 ( 0.000 3.966 0.000) 3.966 12.363 ( 0.000 -3.725 0.000) 3.725 12.655 ( 0.000 3.977 0.000) 3.977 12.677 ( 0.000 2.812 0.000) 2.812 13.211 ( 0.000 4.708 0.000) 4.708 13.288 ( 0.000 -3.966 0.000) 3.966 13.490 ( 0.000 -1.117 0.000) 1.117 13.553 ( 0.000 -7.391 0.000) 7.391 13.858 ( 0.000 1.234 0.000) 1.234 13.894 ( 0.000 -2.504 0.000) 2.504 14.306 ( 0.000 5.527 0.000) 5.527 14.417 ( 0.000 -5.636 0.000) 5.636 14.648 ( 0.000 -0.311 0.000) 0.311 14.659 ( 0.000 -1.492 0.000) 1.492 15.240 ( 0.000 2.026 0.000) 2.026 15.270 ( 0.000 -1.006 0.000) 1.006 15.574 ( 0.000 1.749 0.000) 1.749 15.603 ( 0.000 -1.215 0.000) 1.215 18.869 ( 0.000 36.024 0.000) 36.024 19.489 ( 0.000 -15.505 0.000) 15.505 19.799 ( 0.000 -12.307 0.000) 12.307 19.804 ( 0.000 -2.331 0.000) 2.331 20.718 ( 0.000 -0.856 0.000) 0.856 20.733 ( 0.000 -0.451 0.000) 0.451 21.184 ( 0.000 8.755 0.000) 8.755 21.376 ( 0.000 -10.141 0.000) 10.141 21.733 ( 0.000 11.629 0.000) 11.629 22.030 ( 0.000 -17.681 0.000) 17.681 22.504 ( 0.000 1.213 0.000) 1.213 22.527 ( 0.000 -0.997 0.000) 0.997 22.544 ( 0.000 -0.747 0.000) 0.747 22.545 ( 0.000 -0.550 0.000) 0.550 23.570 ( 0.000 0.206 0.000) 0.206 23.597 ( 0.000 -2.445 0.000) 2.445 23.895 ( 0.000 4.290 0.000) 4.290 23.963 ( 0.000 -2.175 0.000) 2.175 24.378 ( 0.000 0.163 0.000) 0.163 24.395 ( 0.000 -1.787 0.000) 1.787 25.692 ( 0.000 1.604 0.000) 1.604 25.695 ( 0.000 3.295 0.000) 3.295 25.705 ( 0.000 1.890 0.000) 1.890 25.758 ( 0.000 -1.578 0.000) 1.578 26.423 ( 0.000 3.336 0.000) 3.336 26.482 ( 0.000 -2.563 0.000) 2.563 26.858 ( 0.000 0.125 0.000) 0.125 26.865 ( 0.000 -0.593 0.000) 0.593 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 4.637 7.504 1.465) 8.942 1.583 ( -2.243 -4.596 5.714) 7.669 1.743 ( 6.896 5.768 -9.924) 13.391 1.788 ( -5.211 -1.756 -3.109) 6.317 1.995 ( 8.441 9.919 4.929) 13.926 2.061 ( 8.070 0.454 3.823) 8.941 2.196 ( 18.356 -4.737 -1.255) 18.999 2.257 ( 9.712 -8.034 -0.310) 12.608 2.653 ( 2.382 0.228 -3.629) 4.346 2.686 ( 1.302 -3.081 -1.636) 3.723 2.906 ( 7.006 0.312 -0.088) 7.013 2.957 ( 7.409 -4.573 -1.186) 8.787 3.071 ( 1.145 -2.181 -1.428) 2.848 3.156 ( 4.646 -7.733 1.737) 9.187 3.373 ( -1.027 3.349 0.382) 3.524 3.410 ( -2.027 -1.087 0.656) 2.392 3.489 ( -4.369 2.002 1.699) 5.098 3.556 ( -2.356 -4.900 -4.276) 6.918 3.635 ( 6.723 14.303 -7.434) 17.466 3.753 ( -8.342 3.843 8.743) 12.680 3.825 ( -7.959 -1.181 3.742) 8.873 3.945 ( 3.562 -9.530 -1.662) 10.309 4.110 ( 1.696 -0.208 -2.106) 2.712 4.134 ( 0.974 1.571 0.103) 1.851 4.250 ( -3.836 6.597 4.864) 9.050 4.361 ( -1.301 -3.068 5.203) 6.179 4.530 ( 2.097 0.848 1.132) 2.529 4.546 ( 9.407 -2.789 -0.479) 9.823 4.653 ( 0.637 3.173 -1.622) 3.620 4.810 ( 0.057 -7.009 -4.202) 8.172 4.838 ( -1.785 3.685 -3.995) 5.721 4.881 ( -3.845 1.726 1.298) 4.410 5.026 ( 4.641 -0.982 -1.039) 4.856 5.079 ( 8.318 -5.361 1.329) 9.985 5.106 ( -1.629 3.702 -1.612) 4.354 5.161 ( -2.787 -2.990 1.658) 4.411 5.270 ( 1.425 6.340 0.990) 6.573 5.339 ( 0.952 1.237 1.414) 2.107 5.455 ( 6.639 1.599 -2.028) 7.124 5.502 ( 2.933 -3.740 0.593) 4.789 5.694 ( 3.043 1.573 1.180) 3.623 5.762 ( 3.007 -4.157 -2.697) 5.796 5.892 ( 2.810 13.726 -0.178) 14.012 5.977 ( 2.492 3.595 1.399) 4.593 6.044 ( 1.136 -4.477 3.109) 5.568 6.119 ( -0.942 -2.237 1.396) 2.800 6.156 ( -0.432 -0.398 0.715) 0.925 6.264 ( 1.792 -2.417 1.298) 3.277 6.314 ( -0.869 0.581 0.611) 1.210 6.331 ( 1.541 -9.376 -1.174) 9.574 6.543 ( -0.954 2.705 -0.346) 2.889 6.622 ( -0.199 -4.185 -1.817) 4.566 6.847 ( -6.162 4.208 -4.783) 8.863 6.935 ( -3.525 -3.836 -1.740) 5.492 7.150 ( 9.728 4.888 3.381) 11.400 7.189 ( 3.258 1.458 3.267) 4.839 7.268 ( 1.033 1.271 0.554) 1.729 7.340 ( 5.745 -3.565 2.288) 7.138 7.468 ( 2.732 0.443 -0.701) 2.855 7.497 ( 3.449 -3.162 -3.341) 5.749 7.716 ( 6.586 -0.580 -1.786) 6.849 7.735 ( 1.896 -2.284 0.948) 3.116 8.078 ( 5.163 3.590 -3.797) 7.346 8.116 ( 5.809 -0.670 -2.600) 6.400 8.194 ( 1.291 3.126 2.889) 4.448 8.312 ( 3.823 -8.328 -1.175) 9.239 8.992 ( -2.427 12.767 2.187) 13.178 9.134 ( -1.610 -1.764 -0.862) 2.540 9.809 ( -5.639 5.471 1.006) 7.921 9.875 ( -3.820 -0.374 2.345) 4.498 10.000 ( -5.157 6.097 -1.539) 8.132 10.091 ( -2.153 -1.421 3.350) 4.228 10.132 ( -2.646 5.067 -1.392) 5.883 10.266 ( -2.371 -5.598 -1.790) 6.337 10.519 ( -4.750 0.275 -0.869) 4.837 10.552 ( -5.421 -2.998 -0.248) 6.199 10.798 ( -5.778 1.736 1.224) 6.156 10.827 ( -4.397 -0.326 -1.319) 4.602 10.963 ( -0.569 5.230 -0.466) 5.281 11.093 ( -0.954 -5.085 -0.503) 5.199 11.250 ( -1.232 0.015 0.929) 1.543 11.260 ( 0.084 -2.967 2.222) 3.707 11.542 ( -1.841 13.603 -2.974) 14.045 11.868 ( -2.297 -17.273 -0.997) 17.454 12.110 ( 1.837 2.656 -0.969) 3.371 12.157 ( 2.937 -2.141 -1.016) 3.774 12.275 ( -1.000 3.946 0.269) 4.080 12.373 ( 0.213 -5.837 0.852) 5.903 12.642 ( -0.537 7.582 1.685) 7.786 12.730 ( 3.351 -0.569 0.205) 3.405 13.192 ( -1.317 4.568 -1.186) 4.899 13.258 ( -2.553 -3.026 -0.707) 4.022 13.455 ( -3.628 -0.784 0.782) 3.793 13.538 ( -1.611 -8.921 0.634) 9.087 13.881 ( 2.001 2.130 0.243) 2.932 13.931 ( 3.093 -3.081 0.624) 4.410 14.261 ( -3.303 4.075 0.381) 5.259 14.342 ( -5.155 -3.969 -3.235) 7.266 14.678 ( 0.462 0.382 3.939) 3.984 14.708 ( 1.688 -2.580 4.942) 5.825 15.262 ( 3.546 1.529 -1.432) 4.119 15.289 ( 3.578 -1.243 -1.043) 3.929 15.618 ( 3.956 2.674 0.073) 4.776 15.665 ( 5.131 -2.071 -0.527) 5.559 18.862 ( -0.381 35.205 -0.790) 35.215 19.483 ( -0.054 -19.300 -2.375) 19.445 19.748 ( -2.725 0.620 3.363) 4.373 19.868 ( 3.484 -10.082 -1.539) 10.778 20.679 ( -3.246 2.564 1.888) 4.547 20.750 ( 0.529 -3.792 0.587) 3.874 21.180 ( -1.378 8.826 2.667) 9.323 21.362 ( -1.471 -8.752 0.454) 8.886 21.719 ( -0.690 11.246 -3.392) 11.767 22.005 ( -2.737 -15.960 -2.105) 16.329 22.247 ( -20.826 3.605 -1.334) 21.178 22.307 ( -19.014 -2.008 1.121) 19.152 22.362 ( -14.592 -1.203 2.341) 14.828 22.395 ( -11.515 -3.785 -1.231) 12.183 23.734 ( 12.910 2.366 -3.323) 13.539 23.812 ( 14.795 -5.449 -3.186) 16.086 24.082 ( 16.028 3.560 2.633) 16.628 24.130 ( 14.699 -1.165 3.356) 15.122 24.448 ( 7.184 0.400 -0.679) 7.227 24.477 ( 9.626 -2.721 -0.264) 10.007 25.688 ( -0.491 1.952 -0.235) 2.027 25.691 ( -0.378 1.861 0.298) 1.923 25.710 ( 0.247 3.200 0.878) 3.327 25.764 ( 0.682 -1.629 -0.688) 1.895 26.403 ( -2.240 3.040 0.989) 3.903 26.459 ( -2.591 -2.443 0.627) 3.616 26.812 ( -3.874 1.404 -0.497) 4.150 26.839 ( -2.622 -1.278 -0.813) 3.028 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -8.207 -4.178 -5.278) 10.614 1.431 ( -12.355 -8.940 1.703) 15.345 1.763 ( 1.073 3.126 4.438) 5.534 1.867 ( 1.724 -6.570 4.199) 7.986 2.117 ( 8.737 9.917 -4.970) 14.120 2.266 ( 4.388 -4.626 -2.836) 6.978 2.435 ( 4.025 4.515 -4.548) 7.568 2.511 ( 5.213 -2.647 -3.542) 6.836 2.701 ( 13.286 3.735 1.770) 13.914 2.742 ( 8.162 -0.619 0.025) 8.185 2.962 ( 2.216 1.592 -4.528) 5.287 3.069 ( 3.964 -6.206 -3.178) 8.021 3.206 ( 2.895 1.454 -0.431) 3.268 3.274 ( 7.169 -4.525 2.274) 8.777 3.312 ( 4.139 3.861 1.071) 5.761 3.438 ( 3.341 -3.518 0.819) 4.920 3.513 ( 3.636 1.186 2.276) 4.450 3.572 ( 6.987 -6.554 4.922) 10.770 3.679 ( 0.743 5.621 -1.074) 5.770 3.753 ( 3.831 -0.288 7.213) 8.172 3.840 ( 9.924 7.098 -3.124) 12.595 4.019 ( 4.672 -7.847 -2.478) 9.462 4.107 ( 0.060 3.885 3.286) 5.089 4.158 ( 1.671 -1.100 -0.342) 2.030 4.238 ( 0.582 4.356 2.453) 5.033 4.339 ( -1.830 -5.379 0.994) 5.768 4.529 ( -2.527 9.752 -3.820) 10.774 4.630 ( -8.540 2.215 1.906) 9.026 4.689 ( -4.901 4.612 -6.282) 9.206 4.732 ( 4.946 -3.219 -0.038) 5.901 4.796 ( 2.710 -8.992 -1.973) 9.596 4.842 ( 0.702 -7.981 3.860) 8.893 5.051 ( -0.091 4.217 -1.879) 4.618 5.131 ( 2.110 -2.494 -2.501) 4.114 5.176 ( 3.276 2.959 2.121) 4.898 5.252 ( 6.993 -2.785 1.785) 7.735 5.306 ( 0.079 2.003 3.287) 3.850 5.382 ( 2.947 -2.449 2.764) 4.725 5.545 ( 4.292 5.447 0.415) 6.947 5.620 ( 6.197 -0.341 2.871) 6.838 5.730 ( 1.189 1.176 -5.075) 5.344 5.774 ( 2.871 -4.280 -3.106) 6.018 5.947 ( 0.193 10.433 1.895) 10.606 6.037 ( -7.226 0.800 1.664) 7.458 6.058 ( 2.077 1.657 -0.184) 2.663 6.096 ( 2.464 0.721 2.135) 3.339 6.165 ( 2.104 -2.966 -2.632) 4.489 6.293 ( 0.949 -0.733 -4.150) 4.319 6.339 ( 2.480 1.205 2.216) 3.537 6.372 ( 2.596 -8.254 -0.170) 8.654 6.524 ( -0.854 1.355 1.108) 1.948 6.603 ( -0.708 -5.477 -1.023) 5.616 6.722 ( -2.394 5.429 -1.466) 6.111 6.870 ( -0.991 -8.353 -0.002) 8.411 7.219 ( -0.391 6.136 3.322) 6.989 7.272 ( -0.572 1.096 0.951) 1.559 7.352 ( 4.720 4.860 -0.127) 6.776 7.407 ( 1.211 0.501 -1.479) 1.976 7.564 ( 7.922 0.324 -4.698) 9.216 7.632 ( 6.736 -5.596 6.647) 10.994 7.830 ( 9.635 3.329 1.690) 10.333 7.918 ( 13.448 -4.896 1.548) 14.395 8.142 ( 3.012 9.036 -5.898) 11.204 8.205 ( 6.992 0.221 -4.337) 8.231 8.290 ( 5.956 -2.836 1.846) 6.850 8.405 ( 7.175 -11.210 -2.472) 13.537 8.961 ( -2.337 10.238 3.269) 10.999 9.098 ( -1.198 -3.537 -0.661) 3.792 9.667 ( -8.881 4.427 -1.087) 9.983 9.737 ( -11.019 -2.081 0.864) 11.247 9.862 ( -7.529 7.307 -0.775) 10.520 9.989 ( -9.438 -5.064 2.684) 11.042 10.094 ( -2.914 7.702 0.625) 8.259 10.198 ( -5.795 -3.168 0.324) 6.612 10.410 ( -5.411 -0.190 -0.555) 5.442 10.428 ( -4.121 -1.575 -1.445) 4.643 10.699 ( -5.641 1.166 2.116) 6.136 10.732 ( -4.189 -0.947 -0.518) 4.326 10.893 ( -5.770 6.389 -0.781) 8.644 11.022 ( -5.029 -4.936 -2.075) 7.346 11.256 ( 0.172 0.590 3.916) 3.964 11.284 ( 0.655 -3.505 2.132) 4.154 11.478 ( -1.901 15.276 -4.929) 16.163 11.817 ( -1.826 -16.141 -1.550) 16.318 12.134 ( 0.730 4.323 -1.080) 4.515 12.210 ( 2.847 -3.268 -1.437) 4.566 12.272 ( 1.325 1.835 -0.289) 2.282 12.376 ( -0.105 -7.512 0.743) 7.549 12.653 ( 0.385 9.452 1.743) 9.619 12.773 ( 0.681 -1.896 0.158) 2.021 13.160 ( -0.772 4.568 -2.153) 5.109 13.197 ( -3.111 0.252 -0.382) 3.145 13.376 ( -4.684 -0.711 1.297) 4.912 13.505 ( -1.921 -12.535 0.559) 12.694 13.921 ( 1.718 3.273 -0.116) 3.698 13.991 ( 2.257 -3.888 -0.182) 4.500 14.219 ( -4.613 0.599 0.482) 4.677 14.230 ( -1.927 -0.289 2.249) 2.975 14.701 ( 0.927 0.690 0.456) 1.242 14.737 ( -0.121 -2.963 0.409) 2.994 15.371 ( 7.029 1.403 1.654) 7.356 15.407 ( 7.235 -2.441 2.800) 8.133 15.695 ( 3.727 2.985 -1.352) 4.963 15.747 ( 3.523 -2.376 -2.034) 4.711 18.848 ( -0.488 33.391 -1.025) 33.410 19.456 ( -0.905 -24.579 -3.130) 24.794 19.740 ( -0.286 7.897 2.943) 8.432 19.908 ( 1.218 -8.514 -0.348) 8.608 20.639 ( -1.665 4.853 1.947) 5.487 20.757 ( -0.874 -6.721 2.232) 7.135 21.158 ( -2.689 10.277 3.157) 11.082 21.331 ( -1.772 -5.807 0.164) 6.073 21.635 ( -7.043 9.332 -4.102) 12.390 21.838 ( -12.207 -7.515 -3.985) 14.878 21.855 ( -17.052 5.909 -0.050) 18.047 22.005 ( -8.963 -5.605 -3.091) 11.014 22.119 ( -12.184 -4.147 4.819) 13.743 22.209 ( -5.116 -11.531 -0.386) 12.621 23.886 ( 4.367 2.614 -2.033) 5.481 23.963 ( 3.134 -4.879 -0.834) 5.859 24.457 ( 19.008 2.686 1.991) 19.299 24.502 ( 20.137 -1.621 0.670) 20.213 24.647 ( 12.615 2.722 -0.559) 12.917 24.718 ( 13.500 -4.959 -0.383) 14.387 25.671 ( -0.901 2.546 -0.556) 2.758 25.687 ( -0.258 0.955 0.323) 1.041 25.723 ( 0.388 3.713 1.246) 3.936 25.772 ( 0.495 -1.335 -0.557) 1.529 26.351 ( -3.745 2.150 1.068) 4.449 26.391 ( -4.715 -1.800 0.468) 5.069 26.723 ( -4.500 2.642 -0.450) 5.237 26.767 ( -3.887 -1.842 -0.711) 4.359 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -16.774 0.096 -5.253) 17.577 1.245 ( -8.235 -16.514 -1.087) 18.486 1.811 ( 1.502 -0.844 0.674) 1.850 1.831 ( -3.175 -2.619 -2.987) 5.086 2.227 ( -3.989 2.829 1.422) 5.093 2.260 ( 5.529 -1.097 1.846) 5.931 2.449 ( 0.320 -0.279 -1.094) 1.174 2.487 ( -0.983 -3.603 -2.919) 4.740 2.758 ( -1.755 8.419 -4.440) 9.679 2.913 ( 0.288 -6.438 -2.143) 6.792 3.095 ( 8.648 2.593 4.624) 10.144 3.133 ( 4.779 -0.715 0.784) 4.895 3.305 ( 7.477 0.044 -2.609) 7.919 3.332 ( 8.813 0.159 -4.669) 9.975 3.474 ( -2.226 -0.794 5.510) 5.995 3.520 ( 4.116 -2.184 6.769) 8.217 3.642 ( 5.234 4.079 2.932) 7.255 3.672 ( 7.550 1.410 -0.824) 7.725 3.867 ( 12.334 -2.232 -2.498) 12.780 3.914 ( 2.234 -3.591 -1.908) 4.640 4.002 ( 8.234 12.258 5.311) 15.693 4.130 ( -0.611 0.512 4.175) 4.251 4.175 ( 0.281 -3.722 1.491) 4.019 4.180 ( 11.558 1.046 0.949) 11.644 4.280 ( -0.381 -0.919 -1.035) 1.435 4.336 ( 3.643 -3.287 -6.221) 7.923 4.415 ( -8.516 0.641 0.331) 8.546 4.493 ( 3.851 6.720 -0.416) 7.757 4.539 ( -4.337 2.033 -7.172) 8.624 4.769 ( -0.296 -0.756 -4.523) 4.595 4.821 ( -1.264 -4.637 1.491) 5.032 4.924 ( 2.239 -8.787 5.609) 10.662 5.051 ( 0.949 2.322 -0.527) 2.563 5.118 ( -1.751 -4.385 -0.849) 4.797 5.257 ( 2.514 5.150 1.549) 5.936 5.340 ( 1.985 2.756 4.476) 5.619 5.361 ( 2.722 -3.543 1.572) 4.736 5.446 ( 1.205 -3.495 2.069) 4.237 5.604 ( 0.755 3.438 0.722) 3.594 5.658 ( -2.397 -1.461 -2.379) 3.679 5.767 ( 2.614 7.832 -3.790) 9.085 5.819 ( 1.541 1.296 -5.467) 5.826 5.891 ( -2.735 0.380 7.775) 8.251 5.926 ( -3.391 -3.170 5.358) 7.089 6.072 ( -2.283 1.606 -6.081) 6.691 6.117 ( 1.664 3.453 -1.532) 4.128 6.187 ( 2.509 -0.257 -5.732) 6.262 6.305 ( 5.067 -3.036 -4.459) 7.401 6.390 ( 1.213 1.079 -0.205) 1.637 6.405 ( -0.334 -4.103 3.748) 5.568 6.500 ( -3.144 0.581 1.255) 3.434 6.587 ( -0.252 -5.249 -0.863) 5.325 6.787 ( 6.203 4.741 5.504) 9.552 6.910 ( 3.433 -6.717 1.961) 7.795 7.219 ( -1.029 6.331 0.169) 6.417 7.257 ( -2.299 2.376 5.386) 6.320 7.351 ( -0.775 1.814 -8.009) 8.249 7.399 ( -0.221 -2.638 -1.689) 3.140 7.684 ( 4.873 1.809 -0.901) 5.275 7.726 ( 1.199 -2.115 3.129) 3.962 8.050 ( 4.370 9.126 1.507) 10.230 8.192 ( 10.534 -1.495 4.146) 11.419 8.214 ( 12.077 5.185 -0.532) 13.154 8.309 ( 6.106 -3.399 -7.318) 10.119 8.409 ( 5.377 -1.584 2.028) 5.961 8.557 ( 8.896 -12.969 -2.714) 15.959 8.940 ( -1.715 9.343 2.101) 9.729 9.083 ( -0.386 -4.685 -0.507) 4.728 9.477 ( -8.996 1.064 -0.831) 9.096 9.503 ( -11.870 -1.206 -0.486) 11.942 9.734 ( -4.892 5.572 0.591) 7.438 9.823 ( -8.057 -3.191 1.860) 8.863 9.961 ( -9.070 3.384 -0.712) 9.707 10.024 ( -9.955 -3.142 -0.858) 10.475 10.377 ( 0.947 3.161 1.000) 3.448 10.398 ( 0.488 0.582 0.951) 1.217 10.610 ( -4.465 3.311 1.766) 5.833 10.660 ( -3.302 -0.905 0.468) 3.456 10.764 ( -5.860 5.773 -2.739) 8.670 10.929 ( -2.476 -8.061 -0.815) 8.471 11.283 ( 0.156 -0.337 1.750) 1.789 11.302 ( -0.288 -2.559 3.413) 4.275 11.423 ( -0.558 18.114 -4.605) 18.698 11.785 ( -0.663 -15.596 -1.009) 15.643 12.126 ( -0.507 6.161 -0.797) 6.233 12.242 ( 1.387 -5.180 -1.614) 5.600 12.311 ( 2.150 -0.084 -0.042) 2.152 12.388 ( 0.561 -6.537 1.346) 6.698 12.673 ( 0.915 7.509 0.194) 7.567 12.765 ( -1.187 -0.606 0.119) 1.338 13.134 ( -0.052 5.907 -5.052) 7.773 13.148 ( -2.274 4.249 3.322) 5.853 13.306 ( -2.991 -1.613 1.164) 3.592 13.478 ( -1.025 -15.842 0.064) 15.875 13.943 ( 0.837 2.428 0.095) 2.570 14.004 ( -0.162 -4.040 -1.626) 4.358 14.136 ( -3.230 5.741 1.148) 6.687 14.248 ( 0.230 -5.334 3.673) 6.481 14.723 ( 0.973 0.047 -1.802) 2.049 14.738 ( 1.460 -1.389 -1.209) 2.350 15.519 ( 5.813 1.662 3.337) 6.906 15.561 ( 5.632 -2.689 4.333) 7.598 15.733 ( 1.345 1.684 -2.377) 3.208 15.765 ( 0.089 -1.553 -3.240) 3.594 18.834 ( -0.328 31.712 -0.663) 31.721 19.421 ( -0.868 -26.224 -1.979) 26.312 19.758 ( 0.483 9.990 1.380) 10.096 19.915 ( -0.316 -4.922 0.408) 4.949 20.647 ( 1.215 3.515 1.496) 4.008 20.735 ( -2.515 -5.259 1.565) 6.036 21.137 ( -0.314 11.005 1.875) 11.168 21.297 ( -2.046 -4.004 0.267) 4.505 21.410 ( -11.114 8.312 -2.046) 14.028 21.618 ( -7.550 9.573 -0.514) 12.202 21.630 ( -6.994 -10.038 -0.956) 12.271 21.885 ( -1.616 -14.330 -7.156) 16.099 21.970 ( -6.195 2.807 5.636) 8.833 22.162 ( -0.870 -15.745 0.080) 15.769 23.916 ( 0.484 2.331 -0.714) 2.485 23.981 ( -0.059 -4.220 -0.140) 4.222 24.772 ( 11.645 3.236 0.228) 12.089 24.834 ( 12.563 -3.096 -0.013) 12.939 24.873 ( 9.892 2.877 -0.043) 10.302 24.939 ( 8.696 -4.151 0.223) 9.639 25.650 ( -0.854 3.527 -0.533) 3.668 25.683 ( -0.351 0.501 -0.074) 0.616 25.740 ( 0.801 3.038 0.844) 3.253 25.775 ( -0.085 -0.511 0.424) 0.669 26.280 ( -3.614 0.851 0.134) 3.716 26.294 ( -4.709 -0.493 -0.066) 4.735 26.651 ( -2.603 2.702 0.063) 3.752 26.697 ( -2.628 -2.036 -0.214) 3.332 ======================= Grid point 31 (20/72) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 6.707 0.000) 6.707 1.151 ( 0.000 -22.244 0.000) 22.244 1.782 ( 0.000 -1.443 0.000) 1.443 1.826 ( 0.000 -4.909 0.000) 4.909 2.195 ( 0.000 7.775 -0.000) 7.775 2.336 ( 0.000 -6.081 0.000) 6.081 2.443 ( 0.000 -2.028 -0.000) 2.028 2.449 ( 0.000 -3.233 0.000) 3.233 2.724 ( 0.000 8.237 0.000) 8.237 2.894 ( 0.000 -7.616 -0.000) 7.616 3.167 ( 0.000 2.435 -0.000) 2.435 3.196 ( 0.000 0.156 0.000) 0.156 3.401 ( 0.000 9.273 0.000) 9.273 3.404 ( 0.000 -0.400 0.000) 0.400 3.499 ( 0.000 -2.884 -0.000) 2.884 3.610 ( 0.000 -2.908 -0.000) 2.908 3.728 ( -0.000 -2.927 -0.000) 2.927 3.738 ( 0.000 -1.786 0.000) 1.786 3.860 ( 0.000 9.253 0.000) 9.253 3.972 ( 0.000 -3.743 -0.000) 3.743 4.066 ( 0.000 7.275 0.000) 7.275 4.157 ( 0.000 7.682 0.000) 7.682 4.170 ( 0.000 -4.253 -0.000) 4.253 4.297 ( 0.000 -6.754 0.000) 6.754 4.300 ( 0.000 4.675 -0.000) 4.675 4.329 ( 0.000 3.400 0.000) 3.400 4.426 ( 0.000 0.664 0.000) 0.664 4.440 ( -0.000 -4.783 -0.000) 4.783 4.632 ( 0.000 -0.766 -0.000) 0.766 4.740 ( 0.000 9.581 0.000) 9.581 4.758 ( -0.000 -7.451 -0.000) 7.451 4.964 ( 0.000 -8.854 -0.000) 8.854 5.069 ( 0.000 -0.659 -0.000) 0.659 5.084 ( -0.000 -3.396 0.000) 3.396 5.281 ( 0.000 5.634 0.000) 5.634 5.381 ( 0.000 -5.191 0.000) 5.191 5.404 ( 0.000 1.394 -0.000) 1.394 5.444 ( -0.000 -0.812 -0.000) 0.812 5.583 ( 0.000 3.222 0.000) 3.222 5.616 ( 0.000 -1.325 -0.000) 1.325 5.759 ( 0.000 2.913 0.000) 2.913 5.820 ( -0.000 -3.354 -0.000) 3.354 5.879 ( 0.000 10.646 0.000) 10.646 5.992 ( -0.000 1.984 -0.000) 1.984 6.011 ( 0.000 -4.263 0.000) 4.263 6.083 ( 0.000 -4.941 0.000) 4.941 6.220 ( 0.000 8.487 -0.000) 8.487 6.378 ( 0.000 -7.092 -0.000) 7.092 6.399 ( -0.000 -2.712 0.000) 2.712 6.402 ( 0.000 -4.304 -0.000) 4.304 6.445 ( 0.000 7.726 0.000) 7.726 6.584 ( 0.000 -5.292 -0.000) 5.292 6.896 ( 0.000 2.773 0.000) 2.773 6.963 ( 0.000 -3.065 0.000) 3.065 7.199 ( 0.000 5.336 0.000) 5.336 7.251 ( 0.000 -0.755 0.000) 0.755 7.299 ( 0.000 4.589 -0.000) 4.589 7.391 ( 0.000 -4.185 -0.000) 4.185 7.730 ( 0.000 1.320 -0.000) 1.320 7.743 ( -0.000 -0.402 0.000) 0.402 8.068 ( 0.000 12.131 0.000) 12.131 8.310 ( 0.000 -11.656 -0.000) 11.656 8.356 ( 0.000 4.271 0.000) 4.271 8.415 ( 0.000 10.953 0.000) 10.953 8.460 ( 0.000 -6.274 0.000) 6.274 8.647 ( 0.000 -13.588 0.000) 13.588 8.926 ( 0.000 10.001 0.000) 10.001 9.073 ( 0.000 -4.682 0.000) 4.682 9.360 ( 0.000 -0.629 -0.000) 0.629 9.375 ( 0.000 -2.100 0.000) 2.100 9.695 ( 0.000 2.980 0.000) 2.980 9.741 ( -0.000 -2.186 -0.000) 2.186 9.842 ( 0.000 4.078 0.000) 4.078 9.913 ( -0.000 -3.459 -0.000) 3.459 10.383 ( 0.000 3.855 0.000) 3.855 10.433 ( 0.000 -1.739 -0.000) 1.739 10.566 ( 0.000 9.078 -0.000) 9.078 10.630 ( 0.000 -0.971 0.000) 0.971 10.678 ( 0.000 5.579 0.000) 5.579 10.911 ( 0.000 -11.949 0.000) 11.949 11.283 ( 0.000 1.821 -0.000) 1.821 11.314 ( 0.000 -3.330 0.000) 3.330 11.404 ( 0.000 18.924 0.000) 18.924 11.776 ( 0.000 -15.475 0.000) 15.475 12.118 ( 0.000 6.593 0.000) 6.593 12.249 ( 0.000 -6.358 0.000) 6.358 12.335 ( 0.000 -0.285 0.000) 0.285 12.400 ( 0.000 -5.429 0.000) 5.429 12.684 ( 0.000 5.066 0.000) 5.066 12.749 ( 0.000 0.719 -0.000) 0.719 13.114 ( 0.000 8.288 -0.000) 8.288 13.139 ( -0.000 4.704 0.000) 4.704 13.281 ( 0.000 -2.195 0.000) 2.195 13.468 ( 0.000 -17.015 0.000) 17.015 13.955 ( -0.000 0.922 0.000) 0.922 13.989 ( 0.000 -2.920 0.000) 2.920 14.109 ( 0.000 7.453 0.000) 7.453 14.263 ( 0.000 -7.684 0.000) 7.684 14.724 ( 0.000 1.362 -0.000) 1.362 14.756 ( 0.000 -1.820 0.000) 1.820 15.596 ( 0.000 2.132 0.000) 2.132 15.646 ( 0.000 -3.091 -0.000) 3.091 15.726 ( 0.000 0.861 0.000) 0.861 15.743 ( 0.000 -0.789 0.000) 0.789 18.829 ( 0.000 31.036 0.000) 31.036 19.405 ( 0.000 -26.452 0.000) 26.452 19.768 ( 0.000 10.190 0.000) 10.190 19.911 ( 0.000 -3.097 -0.000) 3.097 20.675 ( 0.000 0.798 0.000) 0.798 20.704 ( 0.000 -2.130 0.000) 2.130 21.154 ( 0.000 10.409 0.000) 10.409 21.267 ( -0.000 -3.217 -0.000) 3.217 21.282 ( 0.000 10.006 0.000) 10.006 21.545 ( 0.000 10.518 0.000) 10.518 21.559 ( 0.000 -13.423 -0.000) 13.423 21.845 ( 0.000 -20.217 0.000) 20.217 21.933 ( 0.000 8.014 0.000) 8.014 22.156 ( 0.000 -16.440 -0.000) 16.440 23.916 ( 0.000 2.231 0.000) 2.231 23.978 ( 0.000 -4.021 0.000) 4.021 24.885 ( 0.000 3.461 0.000) 3.461 24.954 ( 0.000 -3.842 0.000) 3.842 24.980 ( 0.000 2.362 0.000) 2.362 25.032 ( 0.000 -3.079 0.000) 3.079 25.638 ( 0.000 4.209 -0.000) 4.209 25.677 ( 0.000 0.595 0.000) 0.595 25.755 ( 0.000 2.148 0.000) 2.148 25.776 ( 0.000 -0.020 0.000) 0.020 26.233 ( 0.000 0.915 -0.000) 0.915 26.247 ( 0.000 -0.496 0.000) 0.496 26.626 ( 0.000 2.495 0.000) 2.495 26.671 ( 0.000 -2.018 0.000) 2.018 ======================= Grid point 63 (21/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 9.296 0.000 26.742) 28.312 0.780 ( -4.730 0.000 35.467) 35.781 1.173 ( -17.903 0.000 53.500) 56.416 1.657 ( 1.847 0.000 -22.690) 22.765 1.954 ( 1.349 0.000 -19.222) 19.269 2.062 ( -7.537 0.000 2.542) 7.954 2.363 ( 5.522 0.000 -3.013) 6.291 2.574 ( -7.437 0.000 4.971) 8.946 2.758 ( 12.765 0.000 -2.062) 12.930 2.812 ( -0.118 0.000 -8.352) 8.353 2.979 ( -0.510 0.000 4.434) 4.463 3.140 ( 9.029 0.000 -4.353) 10.023 3.156 ( -13.402 0.000 -2.367) 13.610 3.336 ( -2.301 0.000 -1.200) 2.595 3.376 ( 1.071 0.000 1.272) 1.663 3.430 ( -0.772 0.000 1.521) 1.706 3.605 ( 4.742 0.000 2.997) 5.610 3.661 ( 4.350 0.000 -11.096) 11.919 3.696 ( -11.227 0.000 -0.897) 11.263 3.829 ( -13.858 0.000 -7.835) 15.920 3.866 ( 8.014 0.000 2.946) 8.538 3.965 ( 1.114 0.000 1.186) 1.627 3.986 ( 5.848 0.000 -6.675) 8.875 4.026 ( 3.752 0.000 -2.309) 4.406 4.162 ( -12.933 0.000 11.093) 17.039 4.285 ( 5.529 0.000 6.602) 8.611 4.419 ( 4.574 0.000 4.782) 6.617 4.524 ( 1.722 0.000 0.446) 1.779 4.615 ( 4.461 0.000 4.322) 6.211 4.691 ( 0.655 0.000 1.962) 2.069 4.809 ( 1.467 0.000 -7.079) 7.229 4.854 ( 6.900 0.000 -1.597) 7.082 4.917 ( -1.995 0.000 -4.560) 4.977 4.927 ( -0.225 0.000 -5.062) 5.067 5.046 ( -2.037 0.000 2.184) 2.986 5.144 ( 0.984 0.000 -1.553) 1.838 5.291 ( 4.342 0.000 3.973) 5.885 5.292 ( -7.792 0.000 3.613) 8.589 5.379 ( 7.203 0.000 0.488) 7.219 5.484 ( 0.642 0.000 0.440) 0.778 5.614 ( -1.485 0.000 -1.087) 1.840 5.790 ( 3.182 0.000 -16.096) 16.407 5.829 ( -6.202 0.000 1.680) 6.426 5.966 ( -0.723 0.000 11.083) 11.107 5.971 ( 0.818 0.000 -3.009) 3.118 6.126 ( -1.206 0.000 -2.027) 2.359 6.225 ( -4.517 0.000 -2.648) 5.236 6.447 ( 0.721 0.000 -5.295) 5.344 6.463 ( 1.106 0.000 1.129) 1.581 6.637 ( 0.643 0.000 -3.947) 3.999 6.667 ( -1.080 0.000 4.362) 4.494 6.747 ( -3.566 0.000 2.719) 4.485 6.886 ( -2.208 0.000 2.823) 3.584 6.998 ( -6.662 0.000 -5.861) 8.873 7.076 ( 0.584 0.000 9.940) 9.957 7.192 ( -0.963 0.000 5.547) 5.630 7.227 ( -24.687 0.000 2.620) 24.826 7.378 ( -9.891 0.000 3.774) 10.587 7.534 ( 18.865 0.000 3.736) 19.231 7.547 ( 32.402 0.000 -3.713) 32.614 7.613 ( 4.774 0.000 -7.560) 8.941 7.753 ( -5.829 0.000 8.279) 10.126 7.877 ( 11.226 0.000 -1.443) 11.318 7.949 ( -36.598 0.000 -5.965) 37.081 8.027 ( -2.853 0.000 1.107) 3.061 8.175 ( 0.498 0.000 -4.391) 4.419 8.826 ( 4.391 0.000 -1.846) 4.763 8.843 ( 2.883 0.000 -2.729) 3.970 9.304 ( 0.616 0.000 4.221) 4.266 9.478 ( -0.755 0.000 -3.254) 3.341 9.789 ( -3.460 0.000 2.640) 4.352 9.804 ( 1.631 0.000 0.700) 1.775 10.548 ( -1.114 0.000 2.623) 2.849 10.595 ( -0.111 0.000 1.419) 1.423 10.669 ( -1.081 0.000 -0.143) 1.091 10.689 ( -13.330 0.000 -1.059) 13.372 10.813 ( 0.243 0.000 2.051) 2.066 10.921 ( 1.433 0.000 -2.218) 2.640 10.976 ( -0.035 0.000 -1.389) 1.390 11.025 ( -3.294 0.000 -3.325) 4.681 11.260 ( -2.318 0.000 0.823) 2.460 11.272 ( 2.024 0.000 0.169) 2.032 11.376 ( -1.292 0.000 5.811) 5.953 11.725 ( 2.766 0.000 -7.828) 8.303 12.161 ( 1.093 0.000 2.061) 2.332 12.308 ( 0.499 0.000 -5.341) 5.365 12.387 ( -1.462 0.000 0.483) 1.540 12.403 ( 1.997 0.000 -0.204) 2.007 12.538 ( -2.683 0.000 0.465) 2.723 12.569 ( 16.585 0.000 -0.117) 16.585 13.080 ( -2.981 0.000 10.189) 10.616 13.345 ( 0.290 0.000 -1.675) 1.700 13.662 ( 1.309 0.000 1.248) 1.809 13.760 ( 0.975 0.000 -1.891) 2.128 14.071 ( 1.977 0.000 2.079) 2.869 14.118 ( 2.796 0.000 1.176) 3.033 14.210 ( -1.884 0.000 -1.865) 2.651 14.295 ( -6.595 0.000 -4.831) 8.176 14.851 ( 1.800 0.000 3.155) 3.633 14.973 ( 9.392 0.000 -2.031) 9.609 15.177 ( -2.027 0.000 4.302) 4.756 15.406 ( 2.353 0.000 -4.576) 5.146 15.622 ( 29.226 0.000 0.229) 29.227 15.632 ( -5.067 0.000 -0.087) 5.068 17.775 ( -4.558 0.000 15.918) 16.558 18.834 ( 8.006 0.000 -28.858) 29.948 20.165 ( 2.359 0.000 9.641) 9.926 20.453 ( -4.092 0.000 -5.694) 7.012 20.547 ( -5.695 0.000 15.203) 16.235 21.095 ( -1.039 0.000 -0.611) 1.205 21.137 ( 7.190 0.000 -0.980) 7.256 21.332 ( -8.574 0.000 -3.167) 9.140 22.426 ( 7.315 0.000 -0.015) 7.315 22.456 ( -4.351 0.000 -1.156) 4.502 22.488 ( 32.835 0.000 0.785) 32.844 22.554 ( -11.384 0.000 -2.108) 11.577 22.832 ( 19.452 0.000 4.032) 19.866 23.014 ( -57.092 0.000 -3.862) 57.223 23.199 ( -12.179 0.000 4.235) 12.895 23.428 ( 4.646 0.000 -6.225) 7.768 23.726 ( -6.190 0.000 5.672) 8.396 23.927 ( 5.203 0.000 -3.007) 6.009 24.347 ( 10.108 0.000 3.775) 10.790 24.555 ( 0.264 0.000 -3.946) 3.954 25.452 ( 0.392 0.000 1.741) 1.785 25.512 ( -0.218 0.000 -0.538) 0.581 25.615 ( -0.805 0.000 1.122) 1.381 25.676 ( 1.120 0.000 -1.177) 1.624 26.411 ( -1.079 0.000 1.018) 1.484 26.491 ( 1.614 0.000 -2.329) 2.834 26.768 ( -1.936 0.000 2.948) 3.527 26.883 ( 0.831 0.000 -1.715) 1.906 ======================= Grid point 64 (22/72) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 6.652 0.000 29.710) 30.445 1.033 ( 6.741 0.000 31.555) 32.267 1.607 ( 35.307 0.000 29.053) 45.724 1.687 ( 14.526 0.000 -24.071) 28.114 1.894 ( 4.377 0.000 -18.468) 18.980 2.115 ( 8.856 0.000 3.967) 9.704 2.497 ( 3.806 0.000 4.967) 6.257 2.596 ( 8.867 0.000 -3.542) 9.548 2.673 ( -11.101 0.000 -0.413) 11.109 2.877 ( -9.983 0.000 -1.217) 10.057 3.045 ( 12.670 0.000 -9.534) 15.856 3.066 ( -1.763 0.000 3.406) 3.836 3.181 ( 1.983 0.000 -1.305) 2.374 3.280 ( 0.870 0.000 -6.888) 6.943 3.313 ( -7.954 0.000 -7.908) 11.216 3.348 ( -4.609 0.000 1.712) 4.917 3.565 ( 1.521 0.000 2.632) 3.040 3.598 ( -0.051 0.000 -2.461) 2.461 3.658 ( -3.211 0.000 -5.630) 6.482 3.718 ( 0.199 0.000 11.684) 11.686 3.942 ( -2.118 0.000 2.958) 3.638 4.010 ( 4.756 0.000 -3.262) 5.767 4.028 ( 5.639 0.000 2.797) 6.294 4.052 ( -1.038 0.000 0.093) 1.042 4.251 ( 13.521 0.000 -4.205) 14.160 4.415 ( 4.832 0.000 1.724) 5.130 4.439 ( -2.071 0.000 1.075) 2.333 4.538 ( 0.651 0.000 -3.245) 3.310 4.700 ( -0.578 0.000 -2.839) 2.897 4.727 ( 3.292 0.000 -3.839) 5.057 4.797 ( -0.623 0.000 -2.280) 2.363 4.954 ( 3.870 0.000 5.464) 6.695 4.963 ( 6.096 0.000 2.504) 6.590 5.012 ( 7.001 0.000 -6.863) 9.804 5.040 ( 3.065 0.000 3.711) 4.813 5.163 ( 2.267 0.000 -3.209) 3.929 5.218 ( 2.170 0.000 0.305) 2.191 5.397 ( -6.773 0.000 -7.934) 10.432 5.404 ( 2.344 0.000 -0.418) 2.381 5.504 ( 2.551 0.000 5.806) 6.342 5.579 ( -1.345 0.000 6.437) 6.576 5.742 ( -0.545 0.000 5.926) 5.951 5.763 ( 4.146 0.000 -15.816) 16.350 5.944 ( -1.479 0.000 -2.170) 2.626 6.042 ( 1.070 0.000 5.072) 5.184 6.083 ( -2.398 0.000 -0.171) 2.404 6.146 ( -1.647 0.000 4.214) 4.525 6.424 ( 1.131 0.000 -7.028) 7.119 6.536 ( 2.656 0.000 4.216) 4.983 6.603 ( 0.557 0.000 -6.059) 6.084 6.707 ( -2.351 0.000 1.456) 2.766 6.738 ( 0.497 0.000 10.469) 10.481 6.783 ( -6.044 0.000 7.947) 9.984 6.815 ( -7.824 0.000 9.323) 12.172 7.009 ( -3.342 0.000 -2.930) 4.445 7.124 ( 4.332 0.000 -3.314) 5.454 7.216 ( -3.412 0.000 5.336) 6.333 7.331 ( 3.609 0.000 3.388) 4.949 7.536 ( -8.003 0.000 -6.122) 10.075 7.644 ( 2.662 0.000 -6.737) 7.244 7.719 ( 0.279 0.000 8.086) 8.091 7.786 ( 2.033 0.000 -1.737) 2.674 7.942 ( 1.319 0.000 1.406) 1.928 8.100 ( 21.453 0.000 13.297) 25.240 8.153 ( 6.106 0.000 -5.436) 8.175 8.423 ( 24.802 0.000 -13.399) 28.190 8.881 ( 2.565 0.000 -2.690) 3.718 8.883 ( 4.749 0.000 -10.420) 11.451 9.372 ( 2.950 0.000 4.250) 5.174 9.455 ( 1.046 0.000 -4.051) 4.184 9.708 ( -6.050 0.000 1.602) 6.258 9.812 ( -1.676 0.000 1.920) 2.549 10.429 ( -11.102 0.000 5.289) 12.298 10.465 ( -7.683 0.000 3.290) 8.358 10.573 ( -8.845 0.000 -1.016) 8.903 10.627 ( -0.774 0.000 1.393) 1.593 10.829 ( -0.073 0.000 3.019) 3.019 10.892 ( -4.541 0.000 0.028) 4.541 10.917 ( -6.648 0.000 -2.012) 6.946 10.955 ( -1.425 0.000 -2.457) 2.841 11.214 ( -3.577 0.000 -0.694) 3.643 11.325 ( 2.879 0.000 1.861) 3.428 11.379 ( -1.835 0.000 6.068) 6.340 11.749 ( 4.871 0.000 -8.384) 9.696 12.140 ( -3.751 0.000 2.366) 4.435 12.202 ( -5.312 0.000 -5.039) 7.322 12.373 ( 0.018 0.000 -0.111) 0.113 12.463 ( 3.613 0.000 -0.998) 3.749 12.529 ( 1.918 0.000 -0.797) 2.077 12.837 ( 8.305 0.000 -11.914) 14.523 13.096 ( -1.502 0.000 8.705) 8.833 13.338 ( -0.872 0.000 -0.485) 0.998 13.657 ( -2.381 0.000 1.417) 2.771 13.747 ( -0.149 0.000 -3.294) 3.297 14.070 ( -10.538 0.000 -4.112) 11.312 14.117 ( -1.034 0.000 -0.390) 1.105 14.172 ( 5.210 0.000 1.206) 5.347 14.255 ( 3.935 0.000 4.140) 5.712 14.849 ( -2.805 0.000 0.583) 2.865 14.952 ( -3.997 0.000 -6.417) 7.560 15.231 ( 4.848 0.000 3.441) 5.945 15.441 ( 3.481 0.000 -3.886) 5.217 15.611 ( 4.140 0.000 -4.526) 6.134 15.935 ( 5.424 0.000 -3.723) 6.579 17.791 ( -3.926 0.000 16.180) 16.650 18.823 ( 9.091 0.000 -28.809) 30.209 20.140 ( -12.987 0.000 23.811) 27.123 20.324 ( -5.077 0.000 -7.192) 8.803 20.493 ( -3.206 0.000 8.678) 9.251 21.036 ( -2.382 0.000 -7.358) 7.734 21.221 ( -1.383 0.000 7.634) 7.759 21.227 ( -0.578 0.000 -2.031) 2.111 21.987 ( -21.578 0.000 -5.632) 22.301 22.004 ( -27.596 0.000 13.347) 30.654 22.183 ( -18.929 0.000 0.002) 18.929 22.301 ( -21.488 0.000 0.848) 21.505 23.111 ( 2.023 0.000 -0.205) 2.033 23.188 ( 7.996 0.000 0.279) 8.001 23.435 ( 29.108 0.000 -6.758) 29.883 23.796 ( 31.048 0.000 4.895) 31.431 23.861 ( 14.860 0.000 1.896) 14.981 24.032 ( 3.646 0.000 2.688) 4.529 24.540 ( 1.166 0.000 -3.681) 3.862 24.710 ( 22.970 0.000 -13.382) 26.584 25.475 ( 0.820 0.000 2.009) 2.170 25.502 ( -0.376 0.000 -1.119) 1.180 25.594 ( -1.929 0.000 1.308) 2.330 25.700 ( 1.894 0.000 -2.738) 3.329 26.369 ( -3.632 0.000 0.489) 3.665 26.468 ( -2.687 0.000 -1.157) 2.926 26.673 ( -7.352 0.000 7.246) 10.323 26.856 ( -2.268 0.000 -1.937) 2.982 ======================= Grid point 65 (23/72) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 3.928 0.000 29.245) 29.508 1.320 ( 7.316 0.000 20.611) 21.871 1.676 ( -11.074 0.000 -9.165) 14.375 1.915 ( 8.994 0.000 -15.000) 17.490 2.357 ( 14.695 0.000 -5.966) 15.860 2.391 ( 22.942 0.000 6.664) 23.891 2.510 ( -11.070 0.000 3.860) 11.723 2.573 ( 3.043 0.000 5.352) 6.157 2.710 ( -5.798 0.000 7.994) 9.875 2.790 ( 17.837 0.000 7.923) 19.518 3.053 ( -5.126 0.000 -4.759) 6.994 3.058 ( 7.036 0.000 -2.879) 7.602 3.155 ( -0.837 0.000 -9.100) 9.139 3.274 ( -6.869 0.000 9.267) 11.535 3.295 ( 5.737 0.000 3.187) 6.563 3.369 ( 11.539 0.000 -12.710) 17.167 3.545 ( -3.661 0.000 -4.752) 5.999 3.566 ( -0.727 0.000 -0.325) 0.797 3.790 ( 1.494 0.000 10.620) 10.724 3.805 ( 18.500 0.000 -1.507) 18.561 3.969 ( 2.532 0.000 -5.317) 5.889 4.040 ( 0.672 0.000 -2.519) 2.607 4.126 ( 7.973 0.000 0.729) 8.006 4.144 ( 5.728 0.000 4.009) 6.991 4.310 ( -4.780 0.000 -11.138) 12.120 4.392 ( -1.925 0.000 -3.221) 3.752 4.541 ( 2.673 0.000 -5.541) 6.152 4.552 ( 10.149 0.000 1.464) 10.254 4.685 ( -1.090 0.000 -7.888) 7.963 4.698 ( -0.482 0.000 4.832) 4.856 4.855 ( 2.726 0.000 2.197) 3.501 4.968 ( -4.702 0.000 4.072) 6.220 5.013 ( 0.520 0.000 -1.445) 1.536 5.065 ( 1.290 0.000 6.240) 6.371 5.171 ( -9.215 0.000 -3.210) 9.758 5.206 ( 10.349 0.000 -7.963) 13.058 5.220 ( 3.980 0.000 0.676) 4.037 5.384 ( -0.422 0.000 -2.133) 2.174 5.391 ( 11.452 0.000 -3.227) 11.898 5.585 ( -2.097 0.000 8.957) 9.199 5.594 ( 3.181 0.000 -4.613) 5.604 5.763 ( 1.291 0.000 -4.976) 5.141 5.846 ( 5.678 0.000 -0.333) 5.688 5.933 ( 2.342 0.000 -0.184) 2.349 6.024 ( -4.312 0.000 2.190) 4.837 6.045 ( -2.392 0.000 1.385) 2.763 6.198 ( 3.106 0.000 7.164) 7.808 6.423 ( 2.814 0.000 -7.539) 8.047 6.521 ( -5.530 0.000 -2.973) 6.279 6.559 ( -3.521 0.000 8.637) 9.327 6.710 ( 1.954 0.000 -1.491) 2.458 6.760 ( -0.959 0.000 5.198) 5.286 6.820 ( 0.308 0.000 10.525) 10.530 6.834 ( 5.425 0.000 2.466) 5.959 6.934 ( -2.497 0.000 -2.066) 3.241 7.197 ( 3.650 0.000 0.354) 3.667 7.204 ( 0.504 0.000 0.417) 0.654 7.385 ( -2.934 0.000 -7.079) 7.663 7.400 ( 1.415 0.000 0.171) 1.425 7.633 ( 0.320 0.000 -5.604) 5.613 7.813 ( 0.965 0.000 0.291) 1.007 7.818 ( 4.786 0.000 4.188) 6.360 7.967 ( 2.826 0.000 5.758) 6.414 8.254 ( 7.141 0.000 -2.291) 7.500 8.605 ( 15.822 0.000 14.962) 21.776 8.698 ( 8.568 0.000 -5.100) 9.971 8.915 ( 9.144 0.000 -15.381) 17.894 8.915 ( 3.900 0.000 -3.083) 4.971 9.444 ( 1.873 0.000 3.629) 4.084 9.480 ( 2.943 0.000 -1.580) 3.340 9.582 ( -6.881 0.000 -0.489) 6.898 9.760 ( -5.132 0.000 2.720) 5.808 10.246 ( -10.323 0.000 -0.680) 10.346 10.307 ( -12.383 0.000 3.618) 12.901 10.358 ( -9.727 0.000 -0.699) 9.752 10.581 ( -4.656 0.000 -0.849) 4.733 10.727 ( -12.106 0.000 0.886) 12.138 10.765 ( -6.642 0.000 -0.502) 6.661 10.872 ( 1.384 0.000 6.812) 6.951 10.894 ( -2.815 0.000 -3.573) 4.549 11.097 ( -7.475 0.000 -2.200) 7.792 11.369 ( -0.418 0.000 3.488) 3.513 11.406 ( 0.842 0.000 5.519) 5.583 11.810 ( 6.958 0.000 -9.881) 12.085 12.081 ( -3.813 0.000 -4.276) 5.729 12.089 ( -2.592 0.000 2.288) 3.457 12.405 ( 2.644 0.000 3.196) 4.148 12.520 ( 2.978 0.000 -1.062) 3.162 12.571 ( 2.086 0.000 -0.235) 2.099 12.826 ( -0.800 0.000 -7.904) 7.944 13.103 ( -3.561 0.000 9.282) 9.941 13.282 ( -5.163 0.000 0.907) 5.242 13.604 ( -3.295 0.000 0.602) 3.350 13.727 ( 1.440 0.000 -7.311) 7.452 13.877 ( -6.066 0.000 -0.686) 6.104 14.096 ( -0.919 0.000 -0.772) 1.201 14.287 ( 4.246 0.000 1.332) 4.450 14.385 ( 6.116 0.000 5.943) 8.528 14.794 ( -0.816 0.000 -2.557) 2.684 14.806 ( -5.787 0.000 -8.641) 10.400 15.370 ( 6.713 0.000 2.713) 7.241 15.512 ( 5.970 0.000 -2.595) 6.510 15.676 ( 4.575 0.000 -5.640) 7.262 15.951 ( -1.682 0.000 2.375) 2.911 17.814 ( -3.907 0.000 16.004) 16.474 18.829 ( 9.557 0.000 -29.257) 30.779 20.042 ( -11.715 0.000 24.284) 26.962 20.185 ( -4.437 0.000 -6.196) 7.620 20.541 ( 3.365 0.000 4.430) 5.564 20.913 ( -5.053 0.000 -7.782) 9.279 21.175 ( -7.330 0.000 6.850) 10.033 21.225 ( -0.217 0.000 -0.624) 0.661 21.620 ( -19.306 0.000 -1.081) 19.336 21.671 ( -9.830 0.000 -3.769) 10.527 21.885 ( -10.973 0.000 3.283) 11.453 21.898 ( -16.909 0.000 0.631) 16.920 23.113 ( -1.079 0.000 2.545) 2.764 23.263 ( 2.686 0.000 -2.916) 3.965 23.828 ( 11.429 0.000 -0.635) 11.447 24.101 ( 7.910 0.000 0.362) 7.919 24.162 ( 10.961 0.000 1.452) 11.056 24.436 ( 25.458 0.000 1.597) 25.508 24.622 ( 10.306 0.000 5.187) 11.537 24.996 ( 14.653 0.000 -10.575) 18.070 25.475 ( -1.785 0.000 -1.916) 2.619 25.511 ( 1.800 0.000 1.893) 2.612 25.562 ( -2.454 0.000 2.584) 3.563 25.703 ( 0.436 0.000 -4.084) 4.108 26.287 ( -4.660 0.000 0.075) 4.660 26.386 ( -5.018 0.000 0.181) 5.021 26.603 ( -4.342 0.000 5.810) 7.253 26.786 ( -3.067 0.000 -2.724) 4.102 ======================= Grid point 66 (24/72) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -18.959 0.000 2.732) 19.155 1.530 ( 2.567 0.000 22.781) 22.925 1.577 ( 1.834 0.000 17.772) 17.866 2.050 ( 10.282 0.000 -7.411) 12.674 2.260 ( -11.243 0.000 -1.601) 11.356 2.523 ( -2.534 0.000 -3.083) 3.991 2.537 ( 5.047 0.000 3.677) 6.245 2.684 ( -1.977 0.000 2.336) 3.060 2.754 ( 4.249 0.000 2.128) 4.752 2.948 ( 2.949 0.000 -7.074) 7.664 3.113 ( 0.857 0.000 4.330) 4.414 3.170 ( 5.867 0.000 -2.579) 6.409 3.172 ( -4.814 0.000 11.432) 12.404 3.269 ( 6.304 0.000 2.154) 6.662 3.451 ( 0.749 0.000 -3.721) 3.796 3.500 ( 14.083 0.000 1.620) 14.176 3.562 ( 8.811 0.000 -3.265) 9.397 3.563 ( 0.498 0.000 -2.165) 2.221 3.890 ( 1.880 0.000 4.594) 4.964 3.969 ( 1.640 0.000 -2.759) 3.210 4.071 ( 3.091 0.000 -0.354) 3.111 4.123 ( -2.895 0.000 -15.729) 15.993 4.132 ( 16.766 0.000 -10.792) 19.939 4.290 ( 5.633 0.000 0.658) 5.672 4.323 ( 9.421 0.000 5.071) 10.699 4.371 ( 4.803 0.000 -1.133) 4.935 4.505 ( -2.569 0.000 -5.610) 6.170 4.638 ( -1.091 0.000 -1.546) 1.892 4.671 ( -1.945 0.000 3.255) 3.792 4.765 ( 4.099 0.000 4.925) 6.408 4.787 ( -3.662 0.000 -1.639) 4.012 4.972 ( -4.873 0.000 -0.748) 4.930 5.002 ( -2.328 0.000 2.525) 3.434 5.028 ( -0.546 0.000 2.642) 2.698 5.101 ( 4.032 0.000 -2.547) 4.769 5.284 ( 0.132 0.000 2.902) 2.905 5.309 ( 3.203 0.000 -1.787) 3.668 5.407 ( 4.111 0.000 -3.054) 5.121 5.543 ( 5.191 0.000 -0.635) 5.230 5.567 ( -1.577 0.000 -10.550) 10.667 5.628 ( 2.014 0.000 5.441) 5.802 5.711 ( -4.641 0.000 -1.913) 5.020 5.878 ( -1.450 0.000 -1.044) 1.787 5.955 ( 0.223 0.000 -0.784) 0.815 5.984 ( -4.314 0.000 0.973) 4.423 6.038 ( 5.235 0.000 0.818) 5.298 6.319 ( 3.620 0.000 4.279) 5.605 6.368 ( -4.829 0.000 -0.290) 4.837 6.465 ( 1.550 0.000 -5.738) 5.944 6.538 ( -2.771 0.000 5.020) 5.734 6.740 ( 2.033 0.000 -1.884) 2.771 6.783 ( 0.208 0.000 3.590) 3.596 6.854 ( 0.210 0.000 -4.113) 4.119 6.896 ( 1.438 0.000 7.536) 7.672 7.007 ( 4.855 0.000 7.469) 8.908 7.194 ( -1.537 0.000 -2.542) 2.970 7.282 ( 2.315 0.000 7.378) 7.733 7.352 ( 2.494 0.000 -3.017) 3.915 7.411 ( 1.571 0.000 -2.121) 2.640 7.606 ( 0.456 0.000 -3.973) 3.999 7.818 ( -0.584 0.000 -0.511) 0.776 7.885 ( 0.122 0.000 1.942) 1.945 8.144 ( 10.749 0.000 2.908) 11.136 8.393 ( 7.694 0.000 -0.419) 7.705 8.697 ( -2.279 0.000 -5.692) 6.131 8.778 ( -2.848 0.000 6.522) 7.117 9.047 ( 7.868 0.000 1.032) 7.936 9.085 ( 13.224 0.000 -8.699) 15.829 9.417 ( -6.604 0.000 0.226) 6.608 9.492 ( 0.938 0.000 3.609) 3.729 9.570 ( 4.165 0.000 -1.014) 4.287 9.666 ( -5.302 0.000 2.488) 5.857 10.010 ( -11.104 0.000 -5.647) 12.457 10.055 ( -11.342 0.000 -2.943) 11.717 10.228 ( -6.369 0.000 6.636) 9.198 10.471 ( -3.768 0.000 -3.122) 4.894 10.495 ( -10.670 0.000 1.220) 10.740 10.672 ( -3.521 0.000 0.550) 3.564 10.825 ( -1.561 0.000 -2.916) 3.307 10.902 ( -7.176 0.000 -4.634) 8.542 10.981 ( 1.603 0.000 10.032) 10.159 11.370 ( -1.169 0.000 1.981) 2.300 11.446 ( -0.486 0.000 5.992) 6.012 11.884 ( 7.105 0.000 -12.221) 14.136 12.013 ( -1.145 0.000 -1.759) 2.099 12.056 ( -1.985 0.000 0.433) 2.031 12.491 ( 1.660 0.000 7.730) 7.906 12.566 ( 2.286 0.000 -0.780) 2.415 12.599 ( 1.026 0.000 -0.059) 1.028 12.766 ( -0.634 0.000 -4.659) 4.702 13.083 ( -4.702 0.000 11.892) 12.788 13.186 ( -4.143 0.000 1.608) 4.444 13.551 ( -1.954 0.000 -0.756) 2.095 13.711 ( 1.581 0.000 -7.213) 7.384 13.824 ( -0.936 0.000 1.803) 2.031 14.067 ( -1.237 0.000 -2.203) 2.527 14.330 ( 1.034 0.000 -1.777) 2.056 14.539 ( 3.639 0.000 6.373) 7.339 14.648 ( -2.732 0.000 -9.469) 9.855 14.807 ( 2.449 0.000 -1.187) 2.722 15.495 ( 4.300 0.000 1.709) 4.627 15.625 ( 5.904 0.000 -1.350) 6.056 15.710 ( 2.633 0.000 -3.712) 4.551 15.915 ( -3.581 0.000 2.345) 4.280 17.829 ( -4.510 0.000 15.353) 16.001 18.834 ( 9.200 0.000 -29.292) 30.703 19.979 ( -8.719 0.000 19.667) 21.513 20.105 ( -0.539 0.000 -2.544) 2.601 20.659 ( 5.874 0.000 3.805) 6.999 20.793 ( -2.714 0.000 -3.825) 4.690 21.053 ( -6.921 0.000 1.381) 7.057 21.103 ( -14.600 0.000 1.902) 14.724 21.372 ( -0.563 0.000 -6.594) 6.618 21.478 ( -9.101 0.000 1.544) 9.231 21.727 ( -2.133 0.000 -1.994) 2.920 21.757 ( -5.138 0.000 1.952) 5.496 23.110 ( -1.040 0.000 3.048) 3.221 23.284 ( 1.605 0.000 -3.386) 3.747 23.920 ( -0.174 0.000 4.520) 4.524 24.162 ( 1.245 0.000 -3.113) 3.353 24.426 ( 12.634 0.000 0.679) 12.653 24.735 ( 10.491 0.000 -2.799) 10.858 24.970 ( 13.391 0.000 8.511) 15.867 25.162 ( 7.915 0.000 -5.763) 9.790 25.408 ( -3.389 0.000 -2.224) 4.053 25.533 ( -2.792 0.000 4.797) 5.550 25.563 ( 2.014 0.000 0.282) 2.034 25.672 ( -0.366 0.000 -3.927) 3.944 26.206 ( -3.271 0.000 -0.004) 3.271 26.293 ( -4.202 0.000 -0.389) 4.220 26.564 ( -2.942 0.000 4.123) 5.065 26.722 ( -1.455 0.000 -2.982) 3.318 ======================= Grid point 67 (25/72) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 8.372 0.000 15.389) 17.519 1.636 ( -7.459 0.000 15.604) 17.295 1.684 ( 3.534 0.000 8.763) 9.449 1.994 ( -12.735 0.000 11.363) 17.068 2.257 ( 6.030 0.000 -7.162) 9.362 2.467 ( -8.181 0.000 -2.562) 8.573 2.474 ( 3.651 0.000 -2.085) 4.205 2.745 ( 1.345 0.000 -4.329) 4.534 2.757 ( -0.671 0.000 6.775) 6.808 2.988 ( -10.680 0.000 -2.588) 10.989 3.068 ( 9.366 0.000 2.017) 9.581 3.084 ( -8.050 0.000 5.398) 9.692 3.309 ( 6.527 0.000 2.906) 7.145 3.415 ( 5.359 0.000 2.203) 5.794 3.480 ( 3.344 0.000 1.164) 3.541 3.533 ( -4.769 0.000 -5.201) 7.057 3.579 ( 0.875 0.000 -7.357) 7.409 3.683 ( 3.120 0.000 1.531) 3.476 3.874 ( -10.004 0.000 -2.725) 10.368 3.997 ( 0.173 0.000 2.358) 2.364 4.045 ( 6.459 0.000 -20.043) 21.058 4.108 ( 3.085 0.000 5.040) 5.909 4.278 ( 2.223 0.000 -7.474) 7.797 4.345 ( -8.038 0.000 -7.551) 11.029 4.434 ( 5.813 0.000 2.110) 6.184 4.507 ( 6.014 0.000 6.050) 8.531 4.519 ( 5.438 0.000 2.049) 5.811 4.617 ( 0.180 0.000 2.256) 2.263 4.619 ( -3.158 0.000 -1.296) 3.413 4.741 ( -5.476 0.000 2.305) 5.941 4.828 ( 6.224 0.000 0.005) 6.224 4.918 ( -4.826 0.000 2.683) 5.521 4.969 ( 5.401 0.000 -3.874) 6.646 5.086 ( 0.621 0.000 4.123) 4.169 5.126 ( -4.931 0.000 -5.059) 7.065 5.259 ( -3.734 0.000 3.976) 5.455 5.290 ( -4.712 0.000 3.394) 5.807 5.465 ( 2.222 0.000 -3.893) 4.483 5.477 ( 2.241 0.000 -7.849) 8.163 5.585 ( -0.388 0.000 0.094) 0.399 5.609 ( -1.426 0.000 -2.134) 2.567 5.696 ( 0.885 0.000 1.516) 1.755 5.830 ( -1.137 0.000 -1.027) 1.532 5.927 ( -0.447 0.000 0.302) 0.539 5.978 ( 1.905 0.000 -2.471) 3.120 6.158 ( 7.321 0.000 -3.752) 8.226 6.298 ( -3.570 0.000 4.401) 5.667 6.345 ( -2.220 0.000 2.296) 3.193 6.451 ( -0.140 0.000 -3.091) 3.094 6.491 ( -4.362 0.000 0.045) 4.362 6.753 ( 0.469 0.000 -1.734) 1.796 6.809 ( 0.389 0.000 3.169) 3.193 6.885 ( 1.823 0.000 4.637) 4.982 6.935 ( -1.333 0.000 2.823) 3.122 7.114 ( 2.835 0.000 3.498) 4.503 7.122 ( -3.677 0.000 -2.200) 4.284 7.323 ( -1.998 0.000 5.247) 5.614 7.404 ( 2.437 0.000 0.140) 2.441 7.482 ( 4.729 0.000 2.709) 5.450 7.618 ( 1.953 0.000 -1.522) 2.476 7.785 ( -1.533 0.000 -1.392) 2.071 7.854 ( -3.448 0.000 -1.056) 3.606 8.324 ( 4.072 0.000 -0.017) 4.072 8.462 ( -2.790 0.000 -2.583) 3.802 8.656 ( -10.350 0.000 3.723) 10.999 8.675 ( 5.538 0.000 -1.917) 5.861 9.101 ( -3.931 0.000 -1.622) 4.252 9.239 ( 5.635 0.000 -2.563) 6.190 9.389 ( 3.732 0.000 2.332) 4.401 9.523 ( -0.077 0.000 3.795) 3.796 9.563 ( -6.699 0.000 -2.892) 7.297 9.623 ( 1.580 0.000 1.336) 2.069 9.889 ( -2.434 0.000 -5.337) 5.866 9.891 ( 5.536 0.000 -4.557) 7.170 10.229 ( 3.266 0.000 7.165) 7.875 10.383 ( -2.108 0.000 3.240) 3.866 10.428 ( 1.896 0.000 -4.296) 4.696 10.626 ( -0.848 0.000 -1.597) 1.808 10.727 ( -6.739 0.000 -2.908) 7.340 10.815 ( 2.062 0.000 -1.617) 2.621 11.108 ( 3.863 0.000 9.848) 10.578 11.345 ( -1.738 0.000 -0.820) 1.922 11.453 ( -2.857 0.000 6.429) 7.036 11.912 ( 3.260 0.000 -11.982) 12.418 12.018 ( -1.621 0.000 -1.022) 1.917 12.024 ( 2.809 0.000 -1.008) 2.984 12.535 ( -1.331 0.000 5.939) 6.086 12.595 ( 0.838 0.000 -0.245) 0.873 12.608 ( -0.333 0.000 0.652) 0.732 12.769 ( 3.587 0.000 -2.580) 4.419 13.077 ( -3.543 0.000 13.133) 13.602 13.174 ( 1.218 0.000 3.960) 4.143 13.524 ( 0.097 0.000 -1.916) 1.918 13.703 ( 1.644 0.000 -6.943) 7.135 13.838 ( 1.097 0.000 3.126) 3.313 14.021 ( -1.450 0.000 -4.206) 4.449 14.338 ( 1.043 0.000 -1.205) 1.594 14.446 ( -6.626 0.000 -5.749) 8.772 14.731 ( 6.477 0.000 2.044) 6.792 14.825 ( -0.426 0.000 -1.507) 1.566 15.540 ( -0.685 0.000 1.073) 1.273 15.651 ( -0.720 0.000 -3.238) 3.317 15.793 ( 5.131 0.000 1.955) 5.490 15.838 ( -5.248 0.000 -0.012) 5.248 17.825 ( -5.230 0.000 14.800) 15.697 18.831 ( 8.797 0.000 -28.832) 30.145 19.938 ( -6.664 0.000 15.626) 16.988 20.143 ( 4.743 0.000 1.479) 4.968 20.726 ( -6.786 0.000 2.336) 7.177 20.773 ( 0.661 0.000 0.607) 0.897 20.917 ( 2.667 0.000 -0.039) 2.668 20.976 ( 1.108 0.000 -1.916) 2.213 21.355 ( -4.258 0.000 -0.415) 4.278 21.403 ( 5.034 0.000 -2.533) 5.636 21.691 ( -2.490 0.000 0.074) 2.491 21.720 ( 1.704 0.000 -0.952) 1.952 23.110 ( -0.916 0.000 3.213) 3.341 23.288 ( 1.072 0.000 -3.491) 3.652 23.930 ( -1.247 0.000 5.148) 5.297 24.160 ( 0.976 0.000 -3.631) 3.760 24.596 ( 2.749 0.000 3.701) 4.610 24.803 ( -2.421 0.000 -4.412) 5.032 25.105 ( -4.060 0.000 2.915) 4.998 25.244 ( 3.575 0.000 -2.764) 4.519 25.382 ( 2.947 0.000 0.504) 2.990 25.525 ( -1.186 0.000 5.985) 6.102 25.527 ( -3.544 0.000 -4.426) 5.670 25.706 ( 4.554 0.000 -0.881) 4.638 26.178 ( 0.525 0.000 0.559) 0.766 26.229 ( -1.756 0.000 -1.596) 2.373 26.539 ( -1.895 0.000 3.330) 3.832 26.700 ( 1.038 0.000 -2.731) 2.921 ======================= Grid point 68 (26/72) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -18.769 0.000 14.227) 23.552 1.651 ( 26.808 0.000 14.733) 30.590 1.714 ( -5.143 0.000 -10.021) 11.264 1.892 ( -6.386 0.000 30.931) 31.583 2.277 ( 3.629 0.000 -8.844) 9.560 2.377 ( 0.995 0.000 -1.773) 2.033 2.490 ( -13.947 0.000 -9.029) 16.615 2.600 ( 2.329 0.000 3.714) 4.383 2.744 ( -11.745 0.000 -2.392) 11.986 2.936 ( 4.192 0.000 11.483) 12.224 2.978 ( -1.847 0.000 -1.635) 2.467 3.253 ( 4.567 0.000 2.929) 5.425 3.301 ( -8.544 0.000 -17.821) 19.763 3.352 ( -4.309 0.000 6.501) 7.800 3.442 ( -4.749 0.000 -0.263) 4.756 3.541 ( -18.805 0.000 -1.175) 18.841 3.621 ( 8.934 0.000 5.463) 10.472 3.650 ( 5.161 0.000 5.823) 7.781 3.718 ( -0.459 0.000 6.085) 6.102 3.941 ( -2.286 0.000 -1.832) 2.929 4.012 ( -6.078 0.000 -14.889) 16.082 4.113 ( -4.890 0.000 -9.784) 10.938 4.216 ( 0.708 0.000 6.640) 6.678 4.239 ( 3.272 0.000 -13.866) 14.247 4.427 ( -12.447 0.000 -5.909) 13.778 4.447 ( -3.191 0.000 4.165) 5.247 4.556 ( -7.666 0.000 5.141) 9.230 4.626 ( 1.165 0.000 0.184) 1.179 4.647 ( -5.952 0.000 -0.423) 5.967 4.755 ( 7.910 0.000 1.802) 8.113 4.824 ( -2.213 0.000 4.916) 5.391 4.924 ( -2.650 0.000 -12.128) 12.414 4.947 ( 2.899 0.000 -0.221) 2.907 5.057 ( 5.698 0.000 -4.195) 7.076 5.084 ( -2.700 0.000 5.358) 6.000 5.232 ( -4.630 0.000 5.019) 6.829 5.239 ( -1.131 0.000 1.348) 1.760 5.399 ( -3.706 0.000 -5.678) 6.780 5.483 ( -0.906 0.000 -2.466) 2.627 5.552 ( -1.904 0.000 2.011) 2.770 5.668 ( -1.400 0.000 -1.924) 2.379 5.701 ( 7.860 0.000 -1.278) 7.964 5.828 ( -1.534 0.000 0.828) 1.743 5.979 ( -0.403 0.000 -1.920) 1.961 5.993 ( 6.546 0.000 -0.459) 6.562 6.226 ( 3.524 0.000 -13.625) 14.073 6.284 ( -6.588 0.000 4.862) 8.188 6.301 ( -0.263 0.000 13.127) 13.130 6.395 ( -3.343 0.000 -1.522) 3.673 6.447 ( 0.841 0.000 1.937) 2.111 6.747 ( -0.952 0.000 1.531) 1.802 6.821 ( -0.332 0.000 -2.228) 2.253 6.888 ( -3.485 0.000 3.030) 4.619 6.929 ( -1.702 0.000 7.475) 7.666 7.055 ( -2.141 0.000 -1.400) 2.559 7.165 ( 0.715 0.000 1.427) 1.596 7.291 ( -4.083 0.000 3.620) 5.457 7.436 ( 1.695 0.000 -1.102) 2.022 7.548 ( -1.042 0.000 0.947) 1.408 7.605 ( -1.101 0.000 -6.169) 6.267 7.760 ( -4.022 0.000 -1.906) 4.451 7.788 ( 1.358 0.000 2.736) 3.054 8.206 ( -13.871 0.000 6.537) 15.334 8.347 ( -4.877 0.000 -3.462) 5.981 8.586 ( -1.728 0.000 0.880) 1.939 8.764 ( 1.570 0.000 -0.512) 1.652 8.888 ( -12.505 0.000 -5.151) 13.525 9.303 ( 2.050 0.000 0.718) 2.172 9.429 ( -2.657 0.000 -2.793) 3.855 9.503 ( 3.003 0.000 4.037) 5.032 9.570 ( 3.185 0.000 -0.565) 3.234 9.681 ( 3.185 0.000 2.893) 4.303 9.931 ( 10.291 0.000 -4.343) 11.170 10.068 ( 11.827 0.000 -2.756) 12.144 10.417 ( 7.704 0.000 9.143) 11.956 10.437 ( 7.909 0.000 -0.692) 7.939 10.502 ( 8.145 0.000 -4.733) 9.421 10.606 ( 0.244 0.000 -5.931) 5.936 10.657 ( 0.722 0.000 4.410) 4.468 10.882 ( 5.194 0.000 -0.255) 5.201 11.229 ( 2.720 0.000 7.997) 8.447 11.296 ( -1.965 0.000 -3.724) 4.210 11.417 ( -4.561 0.000 6.479) 7.924 11.877 ( 0.142 0.000 -9.901) 9.902 11.992 ( -0.088 0.000 -1.018) 1.022 12.089 ( 4.693 0.000 -2.009) 5.105 12.520 ( -2.940 0.000 3.341) 4.451 12.592 ( -1.013 0.000 0.074) 1.016 12.607 ( -0.224 0.000 1.523) 1.539 12.867 ( 6.631 0.000 -0.566) 6.655 13.121 ( 1.353 0.000 10.791) 10.876 13.255 ( 3.530 0.000 4.541) 5.752 13.532 ( 2.158 0.000 -2.952) 3.656 13.684 ( 1.220 0.000 -7.466) 7.565 13.915 ( 4.163 0.000 4.732) 6.303 13.966 ( -1.025 0.000 -5.339) 5.436 14.288 ( -6.287 0.000 -4.636) 7.811 14.349 ( -0.422 0.000 2.044) 2.087 14.777 ( -2.226 0.000 -3.660) 4.283 14.833 ( 3.283 0.000 -1.755) 3.723 15.486 ( -5.491 0.000 1.972) 5.834 15.599 ( -2.811 0.000 -2.213) 3.578 15.705 ( -7.639 0.000 -3.317) 8.329 15.875 ( 1.210 0.000 3.069) 3.300 17.809 ( -5.650 0.000 14.788) 15.830 18.827 ( 8.606 0.000 -27.976) 29.270 19.908 ( -5.277 0.000 12.751) 13.800 20.298 ( 9.048 0.000 4.248) 9.996 20.569 ( -7.476 0.000 2.790) 7.979 20.767 ( -0.107 0.000 -3.542) 3.544 21.075 ( 9.534 0.000 0.561) 9.550 21.104 ( 7.715 0.000 3.501) 8.472 21.331 ( 6.759 0.000 -5.381) 8.639 21.525 ( 7.497 0.000 -0.287) 7.503 21.669 ( 1.752 0.000 -0.543) 1.834 21.777 ( 4.554 0.000 0.529) 4.585 23.112 ( -0.856 0.000 3.082) 3.198 23.283 ( 0.472 0.000 -3.420) 3.452 23.944 ( -0.533 0.000 5.324) 5.350 24.141 ( -1.868 0.000 -3.925) 4.347 24.558 ( -9.540 0.000 5.480) 11.002 24.603 ( -12.910 0.000 -6.659) 14.526 24.934 ( -13.932 0.000 4.692) 14.701 25.267 ( 0.021 0.000 -2.725) 2.725 25.440 ( -1.691 0.000 -3.812) 4.170 25.471 ( 3.951 0.000 1.902) 4.385 25.544 ( -0.226 0.000 3.269) 3.277 25.783 ( 3.913 0.000 -3.010) 4.937 26.210 ( 0.809 0.000 -1.278) 1.512 26.231 ( 3.881 0.000 1.421) 4.133 26.533 ( -0.828 0.000 3.588) 3.682 26.727 ( 3.183 0.000 -2.533) 4.068 ======================= Grid point 69 (27/72) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -23.669 0.000 17.092) 29.195 1.412 ( -25.112 0.000 13.354) 28.441 2.008 ( -3.933 0.000 15.125) 15.628 2.147 ( -13.269 0.000 -10.615) 16.992 2.222 ( 17.826 0.000 9.717) 20.302 2.244 ( -8.161 0.000 -11.917) 14.444 2.398 ( -16.133 0.000 0.023) 16.133 2.494 ( 12.051 0.000 -0.731) 12.073 2.583 ( -3.567 0.000 4.550) 5.781 2.932 ( -13.582 0.000 13.048) 18.834 2.956 ( -3.824 0.000 -3.530) 5.204 3.133 ( 7.251 0.000 -7.039) 10.106 3.164 ( -5.206 0.000 -2.842) 5.932 3.268 ( 0.225 0.000 -9.260) 9.263 3.419 ( -2.014 0.000 1.890) 2.762 3.419 ( 1.173 0.000 3.577) 3.765 3.703 ( -3.414 0.000 6.189) 7.068 3.738 ( -11.558 0.000 -2.768) 11.884 3.757 ( 0.168 0.000 7.481) 7.483 3.878 ( 8.875 0.000 11.524) 14.545 3.927 ( -0.124 0.000 1.883) 1.887 3.937 ( -6.163 0.000 -12.808) 14.214 4.069 ( -5.665 0.000 -21.130) 21.876 4.161 ( -6.119 0.000 -1.709) 6.353 4.341 ( -16.037 0.000 8.691) 18.240 4.342 ( 5.609 0.000 -5.187) 7.640 4.426 ( -0.633 0.000 1.258) 1.408 4.505 ( -4.985 0.000 -9.614) 10.829 4.637 ( 1.872 0.000 -2.955) 3.498 4.788 ( -7.993 0.000 4.377) 9.113 4.881 ( 5.497 0.000 0.261) 5.503 4.884 ( -0.055 0.000 -3.444) 3.444 4.936 ( -2.111 0.000 3.319) 3.933 5.096 ( -1.822 0.000 -2.844) 3.378 5.099 ( 1.077 0.000 -8.028) 8.100 5.194 ( 0.441 0.000 1.512) 1.575 5.220 ( 3.047 0.000 -0.221) 3.055 5.259 ( -11.439 0.000 2.923) 11.807 5.435 ( -0.830 0.000 -2.169) 2.323 5.601 ( 2.420 0.000 4.596) 5.194 5.641 ( 1.170 0.000 -1.983) 2.303 5.736 ( -9.746 0.000 4.503) 10.736 5.809 ( 4.841 0.000 -3.152) 5.777 5.950 ( -0.539 0.000 -3.623) 3.663 6.121 ( 5.014 0.000 0.322) 5.024 6.170 ( -6.432 0.000 5.485) 8.453 6.175 ( 0.525 0.000 -9.851) 9.865 6.377 ( 1.448 0.000 1.120) 1.831 6.411 ( 1.787 0.000 11.825) 11.959 6.501 ( 3.668 0.000 -0.623) 3.720 6.740 ( -1.598 0.000 6.056) 6.264 6.794 ( 1.594 0.000 -3.966) 4.274 6.860 ( -2.628 0.000 2.979) 3.972 6.905 ( -5.349 0.000 7.946) 9.578 7.015 ( -1.939 0.000 1.386) 2.384 7.153 ( -2.027 0.000 -0.718) 2.150 7.204 ( -5.829 0.000 1.107) 5.933 7.450 ( -5.384 0.000 -4.633) 7.103 7.468 ( 2.799 0.000 -3.022) 4.119 7.553 ( 1.650 0.000 -9.291) 9.436 7.685 ( -6.623 0.000 5.700) 8.738 7.830 ( 0.795 0.000 2.520) 2.642 8.045 ( -6.265 0.000 7.287) 9.610 8.256 ( -2.432 0.000 -3.910) 4.605 8.353 ( -21.351 0.000 3.716) 21.672 8.742 ( -2.204 0.000 0.537) 2.269 8.775 ( 2.943 0.000 -6.221) 6.882 9.287 ( -1.819 0.000 -5.907) 6.181 9.417 ( -0.829 0.000 0.125) 0.838 9.530 ( -0.819 0.000 1.412) 1.632 9.648 ( 6.001 0.000 -3.373) 6.884 9.763 ( 2.387 0.000 3.921) 4.591 10.179 ( 14.741 0.000 -0.339) 14.745 10.285 ( 11.719 0.000 1.752) 11.849 10.551 ( 5.197 0.000 3.840) 6.462 10.570 ( 1.876 0.000 -3.011) 3.548 10.675 ( 11.974 0.000 0.027) 11.974 10.681 ( 7.727 0.000 1.481) 7.867 10.769 ( 8.044 0.000 0.719) 8.076 10.986 ( 4.233 0.000 0.577) 4.272 11.232 ( -1.109 0.000 -5.103) 5.222 11.301 ( 0.332 0.000 5.811) 5.821 11.374 ( -3.505 0.000 6.462) 7.352 11.808 ( -0.970 0.000 -9.008) 9.060 12.013 ( 2.759 0.000 -0.303) 2.776 12.176 ( 5.543 0.000 -2.415) 6.047 12.474 ( -3.263 0.000 2.160) 3.913 12.555 ( -2.814 0.000 -0.341) 2.834 12.611 ( -0.883 0.000 2.344) 2.505 12.966 ( 2.689 0.000 1.052) 2.887 13.266 ( 8.212 0.000 -1.299) 8.314 13.334 ( 1.963 0.000 2.000) 2.802 13.552 ( 2.149 0.000 -8.032) 8.315 13.680 ( 2.724 0.000 -4.979) 5.676 13.927 ( 0.211 0.000 -2.331) 2.341 14.025 ( 3.871 0.000 1.850) 4.291 14.172 ( -3.449 0.000 1.565) 3.788 14.350 ( -1.504 0.000 6.183) 6.363 14.730 ( 0.661 0.000 -4.493) 4.542 14.803 ( -3.617 0.000 -10.302) 10.918 15.372 ( -7.716 0.000 3.865) 8.629 15.509 ( -9.771 0.000 -2.796) 10.163 15.519 ( -3.727 0.000 -2.759) 4.637 15.866 ( -4.278 0.000 3.586) 5.582 17.789 ( -5.677 0.000 15.149) 16.177 18.828 ( 8.759 0.000 -27.028) 28.412 19.898 ( -3.152 0.000 12.751) 13.135 20.492 ( -3.727 0.000 6.568) 7.552 20.502 ( 6.177 0.000 6.878) 9.245 20.768 ( 6.674 0.000 -11.063) 12.920 21.154 ( -1.593 0.000 2.128) 2.658 21.264 ( 9.137 0.000 5.158) 10.492 21.566 ( -1.038 0.000 -2.978) 3.153 21.656 ( 25.465 0.000 -3.111) 25.655 21.877 ( 17.579 0.000 1.843) 17.675 21.921 ( 10.420 0.000 1.528) 10.531 23.114 ( -0.686 0.000 2.592) 2.681 23.258 ( -1.553 0.000 -2.955) 3.338 23.940 ( -17.719 0.000 -5.189) 18.463 23.973 ( 0.119 0.000 5.135) 5.136 24.317 ( -17.661 0.000 5.495) 18.496 24.319 ( -12.813 0.000 -3.170) 13.199 24.690 ( -11.903 0.000 4.476) 12.716 25.194 ( -4.170 0.000 -10.633) 11.422 25.423 ( 0.625 0.000 -0.624) 0.883 25.525 ( 0.294 0.000 0.793) 0.845 25.567 ( 1.536 0.000 2.254) 2.728 25.797 ( 0.592 0.000 -8.424) 8.445 26.256 ( 3.987 0.000 3.077) 5.036 26.323 ( 4.121 0.000 1.781) 4.489 26.553 ( 0.156 0.000 5.617) 5.619 26.785 ( 4.229 0.000 -2.479) 4.902 ======================= Grid point 70 (28/72) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -19.426 0.000 27.946) 34.034 0.911 ( -35.486 0.000 11.108) 37.184 1.505 ( -44.355 0.000 37.921) 58.355 1.845 ( -9.812 0.000 -11.183) 14.877 2.068 ( -1.511 0.000 -15.556) 15.629 2.331 ( -14.035 0.000 0.319) 14.039 2.357 ( 2.665 0.000 -2.949) 3.975 2.574 ( 5.951 0.000 -3.116) 6.717 2.618 ( -0.054 0.000 7.717) 7.717 2.943 ( -8.788 0.000 -6.238) 10.776 2.973 ( 8.301 0.000 -5.632) 10.032 3.067 ( 14.621 0.000 9.774) 17.587 3.150 ( -5.834 0.000 -10.428) 11.949 3.335 ( 8.361 0.000 -3.891) 9.222 3.399 ( -3.480 0.000 -1.207) 3.683 3.478 ( 6.470 0.000 4.776) 8.042 3.523 ( -12.799 0.000 4.775) 13.660 3.671 ( 1.161 0.000 -15.635) 15.678 3.764 ( 0.000 0.000 0.303) 0.303 3.834 ( 4.845 0.000 -2.801) 5.596 3.869 ( -3.624 0.000 -0.117) 3.626 3.951 ( 1.129 0.000 -10.545) 10.605 4.056 ( -14.116 0.000 5.178) 15.036 4.110 ( 7.478 0.000 10.023) 12.505 4.172 ( 1.703 0.000 9.071) 9.230 4.266 ( -10.986 0.000 -7.896) 13.530 4.402 ( -4.733 0.000 3.613) 5.954 4.459 ( 4.576 0.000 -3.177) 5.570 4.629 ( -7.931 0.000 4.251) 8.998 4.683 ( 4.364 0.000 -3.841) 5.813 4.818 ( -4.392 0.000 -0.743) 4.455 4.860 ( -2.491 0.000 -2.551) 3.566 5.000 ( -4.315 0.000 -2.705) 5.093 5.031 ( -9.810 0.000 2.096) 10.032 5.055 ( 7.571 0.000 1.203) 7.666 5.071 ( -0.229 0.000 -4.175) 4.182 5.226 ( 1.768 0.000 -0.052) 1.769 5.292 ( 3.236 0.000 -1.768) 3.687 5.448 ( 2.205 0.000 0.235) 2.218 5.481 ( -11.971 0.000 -0.595) 11.986 5.628 ( -3.207 0.000 6.317) 7.085 5.768 ( 6.631 0.000 3.707) 7.597 5.830 ( 1.272 0.000 -9.575) 9.659 5.949 ( 3.152 0.000 -4.377) 5.394 6.051 ( -8.905 0.000 7.302) 11.516 6.148 ( 0.645 0.000 -4.354) 4.402 6.223 ( 4.780 0.000 -3.641) 6.008 6.449 ( 3.131 0.000 0.544) 3.178 6.462 ( 0.020 0.000 -0.321) 0.321 6.570 ( 3.028 0.000 2.781) 4.111 6.770 ( -4.428 0.000 -4.759) 6.501 6.807 ( -1.342 0.000 5.875) 6.027 6.869 ( 3.781 0.000 -1.280) 3.991 6.874 ( 6.437 0.000 18.563) 19.647 7.005 ( -2.611 0.000 12.659) 12.925 7.094 ( -2.521 0.000 -3.055) 3.961 7.167 ( 1.774 0.000 4.105) 4.472 7.348 ( -0.556 0.000 -4.929) 4.960 7.483 ( 0.161 0.000 -5.635) 5.637 7.558 ( -10.857 0.000 8.544) 13.816 7.565 ( 4.790 0.000 -8.526) 9.779 7.841 ( -0.300 0.000 -0.208) 0.365 7.926 ( -14.262 0.000 3.843) 14.771 8.068 ( -5.123 0.000 5.203) 7.301 8.195 ( -1.137 0.000 -5.229) 5.352 8.726 ( -0.819 0.000 1.667) 1.858 8.807 ( 3.017 0.000 -4.085) 5.078 9.079 ( -19.148 0.000 -30.547) 36.052 9.326 ( -5.363 0.000 0.583) 5.394 9.511 ( -1.124 0.000 -1.033) 1.527 9.743 ( 4.681 0.000 -0.991) 4.785 9.807 ( -0.374 0.000 3.608) 3.627 10.436 ( 10.272 0.000 1.870) 10.441 10.530 ( 7.859 0.000 1.035) 7.926 10.646 ( 9.736 0.000 0.954) 9.783 10.649 ( 2.785 0.000 1.412) 3.122 10.822 ( 3.786 0.000 3.477) 5.140 10.857 ( 6.913 0.000 -1.792) 7.141 10.948 ( 10.388 0.000 2.003) 10.579 11.004 ( -1.454 0.000 -1.638) 2.190 11.230 ( 2.660 0.000 -1.801) 3.212 11.312 ( -2.150 0.000 3.699) 4.278 11.364 ( -1.548 0.000 6.082) 6.276 11.746 ( 0.232 0.000 -8.427) 8.430 12.088 ( 4.481 0.000 0.680) 4.532 12.265 ( 5.195 0.000 -3.785) 6.427 12.425 ( -2.877 0.000 1.375) 3.188 12.476 ( -4.906 0.000 -1.937) 5.274 12.590 ( -2.915 0.000 2.479) 3.827 12.874 ( -17.435 0.000 -35.706) 39.735 13.127 ( -12.810 0.000 1.105) 12.858 13.352 ( 0.069 0.000 -0.946) 0.948 13.588 ( 5.729 0.000 -0.697) 5.771 13.725 ( 3.526 0.000 -2.253) 4.185 14.008 ( 7.150 0.000 0.704) 7.185 14.058 ( -0.327 0.000 0.159) 0.364 14.233 ( 4.383 0.000 8.539) 9.598 14.368 ( -0.660 0.000 2.163) 2.261 14.641 ( -0.494 0.000 3.827) 3.859 14.766 ( 4.370 0.000 0.027) 4.370 15.243 ( -7.215 0.000 3.677) 8.097 15.368 ( -3.896 0.000 5.722) 6.922 15.435 ( -2.312 0.000 -4.173) 4.771 15.762 ( -8.050 0.000 3.233) 8.675 17.775 ( -5.287 0.000 15.550) 16.425 18.838 ( 9.163 0.000 -27.369) 28.862 19.980 ( 3.803 0.000 15.922) 16.370 20.499 ( -1.360 0.000 12.228) 12.303 20.541 ( -2.511 0.000 -0.720) 2.613 20.936 ( 13.133 0.000 -4.712) 13.953 21.130 ( -0.879 0.000 -1.323) 1.588 21.493 ( -4.422 0.000 -4.647) 6.414 21.586 ( 22.371 0.000 17.630) 28.483 22.142 ( 23.288 0.000 0.381) 23.291 22.243 ( 23.290 0.000 -0.209) 23.291 22.260 ( 17.983 0.000 2.470) 18.151 23.111 ( -16.532 0.000 -1.659) 16.615 23.123 ( 0.582 0.000 1.614) 1.715 23.539 ( -13.307 0.000 -6.320) 14.732 23.939 ( -10.502 0.000 -1.893) 10.671 23.998 ( -20.266 0.000 4.390) 20.736 24.055 ( -7.736 0.000 6.993) 10.428 24.579 ( -1.694 0.000 -1.444) 2.226 24.818 ( -28.855 0.000 -35.543) 45.781 25.437 ( 0.451 0.000 1.038) 1.132 25.520 ( -0.479 0.000 -0.101) 0.489 25.606 ( 0.822 0.000 1.726) 1.912 25.711 ( -2.833 0.000 -6.562) 7.147 26.395 ( 1.956 0.000 1.557) 2.500 26.406 ( 8.021 0.000 1.959) 8.256 26.634 ( 4.559 0.000 11.427) 12.303 26.849 ( 3.548 0.000 -2.188) 4.168 ======================= Grid point 71 (29/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 4.219 13.061 20.404) 24.591 0.715 ( -4.443 7.060 24.845) 26.208 1.514 ( -8.382 18.395 28.657) 35.069 1.693 ( -1.137 4.805 -13.359) 14.243 1.820 ( -0.065 -6.834 -9.533) 11.730 2.158 ( -4.669 1.555 -4.685) 6.795 2.378 ( 7.714 3.700 -5.811) 10.343 2.504 ( -2.645 -6.648 4.589) 8.500 2.712 ( 6.855 -4.849 1.422) 8.517 2.731 ( -1.671 -5.776 -4.506) 7.514 2.991 ( 1.810 -0.690 -4.724) 5.106 3.095 ( 5.073 -8.037 -3.861) 10.258 3.136 ( 2.878 -7.650 -0.301) 8.178 3.217 ( -6.579 2.014 0.424) 6.893 3.299 ( -8.899 -5.649 1.461) 10.641 3.473 ( -0.194 -0.467 2.610) 2.659 3.570 ( 2.503 -4.260 -4.399) 6.615 3.577 ( 1.179 -1.168 2.086) 2.666 3.656 ( -1.832 -1.133 -3.921) 4.474 3.865 ( -5.931 -0.909 -6.643) 8.952 3.890 ( 0.402 1.502 3.773) 4.081 3.987 ( 0.717 2.134 -1.029) 2.475 4.065 ( 0.171 -2.282 1.942) 3.001 4.113 ( 3.141 6.823 -1.090) 7.590 4.159 ( 0.548 5.451 0.497) 5.501 4.323 ( -6.464 6.274 7.964) 12.024 4.397 ( 2.163 -1.988 4.322) 5.226 4.484 ( 4.752 -1.603 -1.040) 5.122 4.690 ( 5.834 2.506 4.523) 7.796 4.731 ( 0.210 2.166 -0.037) 2.177 4.778 ( 3.174 1.601 -2.712) 4.471 4.886 ( 1.415 4.010 -1.356) 4.463 4.941 ( -0.773 -2.227 2.552) 3.474 4.948 ( 0.907 1.805 -3.867) 4.363 5.016 ( -1.005 -0.149 -3.971) 4.099 5.117 ( 0.129 -0.789 -1.794) 1.964 5.254 ( -3.538 -2.561 4.930) 6.586 5.321 ( -1.303 1.490 3.030) 3.619 5.354 ( 1.288 -0.061 -1.285) 1.821 5.575 ( 0.255 -2.713 -1.316) 3.026 5.617 ( 6.279 7.140 -4.187) 10.389 5.721 ( -0.721 -5.994 -7.700) 9.784 5.832 ( -3.993 0.752 -0.470) 4.090 5.962 ( 0.030 -2.817 0.365) 2.840 5.992 ( 0.714 2.206 -2.198) 3.195 6.151 ( 0.339 2.514 2.592) 3.627 6.215 ( -2.332 -1.989 -2.619) 4.032 6.373 ( 4.850 -4.158 -4.158) 7.622 6.496 ( -0.720 0.164 4.557) 4.616 6.554 ( -3.276 -5.872 3.311) 7.495 6.608 ( -4.669 -2.516 -1.013) 5.400 6.769 ( -0.943 -1.886 1.605) 2.650 6.881 ( -2.646 -1.156 0.596) 2.948 6.995 ( 2.677 -0.908 1.834) 3.370 7.033 ( -2.063 -4.642 8.717) 10.089 7.074 ( -0.384 -0.480 -1.326) 1.461 7.228 ( -8.970 -0.432 -0.115) 8.981 7.411 ( -6.505 -0.736 1.406) 6.696 7.460 ( 15.734 -3.837 0.764) 16.213 7.556 ( 8.294 1.254 -4.627) 9.580 7.716 ( 9.718 6.836 -3.694) 12.442 7.766 ( -13.952 -4.712 3.585) 15.157 7.812 ( -3.877 2.287 1.663) 4.798 7.907 ( -4.535 -0.305 -0.233) 4.551 8.169 ( -5.482 2.621 0.578) 6.104 8.316 ( 4.237 13.427 -5.313) 15.049 8.740 ( 1.137 -5.655 2.783) 6.404 8.917 ( 1.541 6.364 -3.575) 7.460 9.438 ( 0.974 12.366 1.356) 12.478 9.543 ( -1.246 6.275 -2.735) 6.957 9.836 ( 0.305 4.010 1.996) 4.490 9.936 ( -0.493 9.067 -3.393) 9.693 10.467 ( 1.208 -6.602 5.212) 8.497 10.517 ( -7.872 -7.068 5.924) 12.125 10.632 ( -0.526 -1.049 -1.810) 2.157 10.655 ( 0.096 -2.440 -0.953) 2.621 10.812 ( -1.439 0.469 0.637) 1.642 10.926 ( 3.115 -1.882 -3.055) 4.752 10.975 ( -2.774 -0.331 0.144) 2.798 11.039 ( 0.509 1.253 -0.965) 1.662 11.244 ( 0.047 -0.405 0.236) 0.471 11.331 ( -2.742 3.076 -3.519) 5.419 11.416 ( -1.603 3.134 5.299) 6.362 11.788 ( 3.294 5.480 -8.823) 10.896 12.184 ( 0.835 1.848 1.488) 2.515 12.293 ( -2.887 -4.031 -1.445) 5.164 12.338 ( 2.688 -2.640 -2.517) 4.531 12.371 ( 2.052 -1.536 -1.380) 2.911 12.543 ( -0.412 0.602 1.197) 1.402 12.564 ( 5.115 0.049 1.726) 5.398 13.111 ( -3.215 2.654 8.955) 9.877 13.383 ( 0.618 0.929 -5.271) 5.388 13.631 ( 1.168 -3.006 1.070) 3.398 13.732 ( 1.496 -2.729 -2.822) 4.201 14.033 ( 1.422 -3.170 1.087) 3.640 14.049 ( -2.308 -7.752 2.516) 8.471 14.169 ( 3.595 2.256 2.891) 5.136 14.387 ( -5.963 3.798 -7.749) 10.489 14.818 ( 1.931 -3.172 3.112) 4.846 14.888 ( 10.231 -7.029 2.961) 12.761 15.191 ( -2.081 1.336 3.845) 4.571 15.364 ( 2.994 -3.798 0.699) 4.886 15.523 ( 8.970 -2.517 3.482) 9.946 15.623 ( -3.964 -0.786 -0.721) 4.105 17.927 ( -4.401 15.230 14.934) 21.779 18.913 ( 7.983 8.589 -26.367) 28.857 20.015 ( -0.942 -7.070 14.989) 16.599 20.352 ( -4.609 -6.677 -3.579) 8.868 20.665 ( -4.247 7.967 12.977) 15.809 21.074 ( 3.862 -5.579 5.626) 8.814 21.167 ( 1.286 -0.400 -3.300) 3.564 21.404 ( -3.718 5.358 -7.529) 9.961 22.206 ( 4.053 -28.402 4.084) 28.979 22.390 ( 10.581 -3.963 -3.300) 11.771 22.463 ( -2.780 0.005 0.134) 2.783 22.527 ( 0.861 -1.235 -2.780) 3.162 22.589 ( -1.360 -3.268 2.273) 4.206 22.734 ( -9.885 -11.008 -5.459) 15.770 23.408 ( -0.747 4.289 -0.407) 4.372 23.586 ( -4.438 1.773 -6.586) 8.137 23.795 ( -5.463 8.438 7.362) 12.459 24.118 ( -0.241 9.275 0.903) 9.322 24.276 ( 5.371 -3.457 -0.695) 6.425 24.505 ( 0.655 -4.397 -3.994) 5.976 25.496 ( 0.269 4.300 1.372) 4.522 25.559 ( 0.046 3.788 -1.464) 4.061 25.641 ( -0.232 2.154 1.485) 2.626 25.708 ( -0.184 2.739 -1.194) 2.993 26.375 ( 0.106 -0.902 3.626) 3.738 26.506 ( 0.902 0.340 -2.112) 2.321 26.820 ( -0.571 2.392 -0.936) 2.631 26.883 ( -0.198 -0.029 -1.459) 1.473 ======================= Grid point 72 (30/72) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 5.486 3.214 20.649) 21.606 1.402 ( 30.968 9.423 13.495) 35.070 1.655 ( 6.174 0.946 -6.064) 8.705 1.736 ( 21.139 6.435 4.882) 22.629 1.901 ( 8.816 5.774 -2.417) 10.812 2.137 ( 3.036 -1.822 0.216) 3.548 2.447 ( -0.802 -4.023 5.466) 6.834 2.573 ( 8.874 -1.263 -5.542) 10.538 2.620 ( -6.916 -6.106 -1.336) 9.322 2.775 ( -8.404 -6.170 3.095) 10.876 3.000 ( 0.794 -1.212 -4.124) 4.371 3.096 ( 4.948 -5.075 -11.285) 13.326 3.129 ( 0.939 -5.378 -5.189) 7.532 3.216 ( 3.299 1.039 -0.311) 3.473 3.286 ( 5.617 -2.735 7.016) 9.394 3.408 ( -5.395 1.651 -1.460) 5.828 3.511 ( -5.675 -1.372 -0.182) 5.841 3.613 ( 0.086 -0.464 -2.647) 2.689 3.621 ( 0.431 -0.076 1.648) 1.706 3.715 ( 1.823 -1.545 2.017) 3.127 3.902 ( -0.913 -0.989 4.991) 5.169 4.028 ( -3.417 -1.077 1.000) 3.720 4.073 ( -0.522 6.832 -0.904) 6.912 4.175 ( 5.794 5.641 2.102) 8.355 4.255 ( 4.965 -5.916 1.416) 7.852 4.337 ( 5.090 3.837 -1.410) 6.528 4.416 ( -0.367 -7.021 -2.663) 7.518 4.524 ( 1.655 2.763 -3.436) 4.709 4.733 ( 1.325 1.423 -3.050) 3.617 4.793 ( 1.730 1.953 -1.755) 3.144 4.802 ( -0.614 3.173 -1.004) 3.384 4.925 ( 1.750 -0.583 2.789) 3.344 4.990 ( 3.534 1.266 2.019) 4.262 5.031 ( 3.644 0.668 1.049) 3.850 5.061 ( 9.594 1.740 -2.571) 10.084 5.162 ( -0.285 -4.220 2.783) 5.063 5.168 ( 5.038 1.689 -3.122) 6.163 5.349 ( -1.008 -1.626 0.279) 1.934 5.390 ( 2.508 -1.288 -0.662) 2.896 5.536 ( -3.248 -1.374 -1.226) 3.734 5.639 ( -3.789 1.675 5.269) 6.703 5.720 ( 7.469 2.836 -10.084) 12.865 5.795 ( 1.605 2.488 -1.498) 3.318 5.948 ( -0.078 -2.466 -3.735) 4.477 6.012 ( 1.115 0.429 0.549) 1.315 6.109 ( -4.424 3.306 2.847) 6.213 6.209 ( 1.078 3.635 2.784) 4.703 6.414 ( 1.654 -0.395 -6.167) 6.397 6.471 ( -2.805 -8.682 2.018) 9.345 6.557 ( -2.729 -9.729 10.395) 14.497 6.584 ( 4.553 0.536 -0.223) 4.590 6.715 ( -5.105 -3.282 -2.032) 6.400 6.817 ( -4.746 0.343 6.289) 7.886 6.879 ( -4.922 6.291 4.468) 9.153 7.055 ( 1.090 5.720 1.317) 5.970 7.112 ( 4.783 -0.887 -4.543) 6.656 7.264 ( 2.244 -0.420 8.018) 8.336 7.315 ( -1.175 0.058 -1.157) 1.650 7.500 ( -7.194 -2.948 -5.025) 9.257 7.655 ( 4.714 -0.587 -2.148) 5.214 7.732 ( 6.490 -0.515 -0.996) 6.586 7.775 ( 0.726 1.011 -1.130) 1.681 7.963 ( 2.404 1.412 3.544) 4.509 8.063 ( 17.021 -2.601 7.268) 18.689 8.181 ( 9.134 2.018 -3.649) 10.040 8.445 ( 11.624 2.811 -5.624) 13.215 8.820 ( 4.910 -4.009 0.573) 6.365 8.930 ( 2.609 4.668 -6.645) 8.530 9.466 ( 0.126 8.276 1.761) 8.462 9.509 ( 0.108 7.140 -2.510) 7.570 9.798 ( -5.628 5.815 1.471) 8.225 9.879 ( -3.170 6.645 -0.361) 7.371 10.391 ( -8.124 -2.763 4.243) 9.573 10.422 ( -7.791 -3.661 4.070) 9.522 10.551 ( -7.583 -2.874 -0.677) 8.138 10.639 ( -0.294 -0.376 0.435) 0.646 10.760 ( -4.802 -3.570 -1.121) 6.087 10.877 ( -5.328 -0.764 2.032) 5.753 10.933 ( -2.045 0.829 -0.972) 2.411 11.013 ( -3.062 3.089 -1.803) 4.708 11.222 ( -3.335 0.881 -0.215) 3.456 11.312 ( 1.844 -0.755 0.996) 2.228 11.416 ( -1.544 2.856 5.472) 6.363 11.818 ( 5.339 5.909 -9.007) 12.023 12.147 ( -4.568 0.380 1.776) 4.916 12.206 ( -4.435 0.007 -3.997) 5.970 12.352 ( 0.528 -2.046 -0.583) 2.192 12.407 ( 3.821 -3.701 -1.084) 5.429 12.559 ( 1.698 2.180 -0.281) 2.777 12.739 ( 7.080 -7.442 -5.941) 11.866 13.109 ( -2.528 1.395 8.612) 9.083 13.354 ( -1.935 -0.040 -2.012) 2.792 13.620 ( -2.722 -3.478 1.237) 4.587 13.733 ( 1.321 -1.791 -4.525) 5.043 13.992 ( -3.852 -4.617 0.628) 6.046 14.121 ( 5.069 -4.568 1.000) 6.897 14.195 ( -5.871 4.592 -3.517) 8.242 14.268 ( 2.332 0.984 3.735) 4.511 14.805 ( -3.310 -3.929 -0.444) 5.157 14.916 ( -3.026 -3.467 -4.739) 6.606 15.239 ( 4.824 0.805 3.460) 5.990 15.463 ( 5.089 1.659 -3.292) 6.284 15.578 ( 3.751 -4.085 -1.653) 5.786 15.768 ( 7.577 -10.226 3.411) 13.176 17.940 ( -3.693 14.952 15.107) 21.573 18.915 ( 8.967 9.314 -26.954) 29.894 20.039 ( -6.792 -5.869 17.082) 19.297 20.259 ( -2.235 -6.093 -3.911) 7.577 20.607 ( -7.450 9.002 9.829) 15.269 21.114 ( -1.490 -7.445 4.283) 8.717 21.178 ( 0.393 6.248 -6.208) 8.816 21.286 ( -4.644 4.513 -2.352) 6.890 21.851 ( -22.140 -11.873 1.688) 25.179 22.040 ( -21.855 2.453 2.152) 22.098 22.193 ( -18.669 0.704 -0.220) 18.683 22.319 ( -19.781 1.431 0.770) 19.848 22.781 ( 8.905 -21.612 1.739) 23.440 22.907 ( 9.143 -17.100 -4.650) 19.940 23.568 ( 15.136 1.865 -3.173) 15.577 23.835 ( 20.671 -1.279 -2.281) 20.836 23.986 ( 19.635 12.510 9.044) 24.977 24.164 ( 4.027 9.176 2.103) 10.239 24.465 ( 4.965 -6.608 -4.651) 9.484 24.621 ( 19.136 -6.524 -7.370) 21.519 25.512 ( 0.476 3.586 1.493) 3.914 25.547 ( -0.325 4.098 -1.318) 4.317 25.625 ( -1.958 2.833 1.524) 3.766 25.717 ( 1.312 1.660 -1.622) 2.666 26.367 ( -2.557 0.294 1.991) 3.254 26.480 ( -2.380 0.495 -2.192) 3.273 26.725 ( -7.139 3.784 3.352) 8.748 26.853 ( -2.284 -0.371 -1.560) 2.791 ======================= Grid point 73 (31/72) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 10.739 -1.715 13.399) 17.257 1.661 ( -5.892 3.897 -9.685) 11.988 1.791 ( 2.209 10.916 11.245) 15.826 1.955 ( 8.244 7.804 -7.653) 13.691 2.175 ( 0.303 -16.937 1.196) 16.981 2.305 ( 13.994 -7.456 6.419) 17.107 2.441 ( 0.701 -3.262 -4.625) 5.703 2.631 ( 5.246 0.852 7.169) 8.925 2.691 ( -2.851 -0.298 5.664) 6.348 2.772 ( 19.916 -0.490 9.600) 22.115 2.958 ( 2.618 -6.190 -8.655) 10.958 3.105 ( 2.951 0.146 -1.030) 3.129 3.149 ( -0.247 -2.116 -7.628) 7.920 3.290 ( -7.443 5.475 6.461) 11.275 3.332 ( 4.831 2.372 0.202) 5.386 3.364 ( 7.481 1.508 -1.635) 7.805 3.495 ( -1.957 -1.775 1.104) 2.864 3.634 ( 0.122 2.915 -1.358) 3.218 3.744 ( 16.599 -5.546 -3.448) 17.837 3.814 ( 5.817 2.076 5.551) 8.304 3.965 ( 2.048 -2.199 -2.198) 3.724 4.011 ( 2.367 0.702 3.319) 4.136 4.062 ( 4.041 -3.498 -2.846) 6.055 4.210 ( -1.966 -2.232 2.289) 3.753 4.319 ( -4.260 -1.606 -8.106) 9.297 4.348 ( 2.345 1.634 -0.557) 2.912 4.454 ( 6.886 -4.622 -0.024) 8.294 4.537 ( 1.159 0.572 -5.233) 5.390 4.686 ( -2.667 -1.933 -5.129) 6.095 4.821 ( 2.585 8.159 1.835) 8.753 4.865 ( 5.682 -2.785 -0.226) 6.332 4.950 ( -4.699 -2.860 1.551) 5.715 4.971 ( -2.588 1.292 4.565) 5.404 5.073 ( 2.517 1.047 -7.388) 7.875 5.174 ( 7.911 1.286 1.856) 8.227 5.248 ( 2.606 2.441 -2.429) 4.319 5.274 ( -1.015 4.811 -1.593) 5.169 5.371 ( 7.675 0.765 -2.023) 7.974 5.417 ( 1.792 -1.018 -1.009) 2.295 5.528 ( 2.752 -2.862 1.583) 4.274 5.626 ( -1.674 1.902 7.102) 7.541 5.751 ( 2.612 -1.223 -9.053) 9.502 5.875 ( 3.812 3.111 0.113) 4.921 5.934 ( 0.856 0.102 -2.467) 2.613 6.026 ( -0.204 2.182 2.180) 3.091 6.066 ( -2.992 1.977 1.584) 3.920 6.242 ( 2.073 2.603 3.373) 4.738 6.411 ( 1.067 -2.099 -1.822) 2.977 6.456 ( 0.189 -6.054 -1.671) 6.284 6.516 ( -5.854 -5.960 6.126) 10.359 6.633 ( 1.174 -4.033 -0.187) 4.204 6.709 ( 3.704 -4.412 1.545) 5.964 6.785 ( -2.122 0.135 3.711) 4.277 6.893 ( 1.401 6.353 6.255) 9.025 7.041 ( -2.464 5.260 -0.033) 5.808 7.172 ( 3.408 -1.878 -5.055) 6.379 7.271 ( -0.675 4.484 5.009) 6.757 7.357 ( -0.077 -1.164 -4.109) 4.271 7.413 ( 2.954 0.590 -2.421) 3.864 7.720 ( 2.854 6.495 -5.043) 8.704 7.799 ( 2.373 0.468 2.169) 3.249 7.841 ( 4.645 0.964 1.782) 5.068 7.993 ( 2.017 2.584 6.017) 6.852 8.279 ( 7.853 1.497 -1.592) 8.152 8.530 ( 15.875 -5.866 7.449) 18.491 8.625 ( 8.095 -6.954 -2.354) 10.928 8.916 ( 6.465 -1.547 -9.068) 11.244 8.951 ( 4.966 4.084 -2.514) 6.903 9.469 ( 0.100 1.949 0.788) 2.105 9.511 ( -0.361 6.529 1.127) 6.635 9.662 ( -8.218 5.892 0.093) 10.112 9.810 ( -4.656 4.614 1.676) 6.766 10.213 ( -10.555 -2.498 -1.873) 11.007 10.265 ( -11.881 -3.825 3.259) 12.900 10.377 ( -8.259 1.302 0.108) 8.362 10.596 ( -9.358 -3.127 -1.787) 10.027 10.628 ( -2.920 -1.541 1.157) 3.498 10.801 ( -6.640 0.013 1.077) 6.726 10.849 ( -5.701 -0.718 2.698) 6.348 10.942 ( -0.737 3.101 -0.073) 3.188 11.113 ( -6.861 1.706 -2.218) 7.410 11.361 ( 1.154 -1.537 2.315) 3.009 11.430 ( -0.599 2.734 6.425) 7.009 11.881 ( 6.828 5.634 -9.850) 13.244 12.076 ( -3.115 -1.456 -0.201) 3.445 12.101 ( -3.489 2.408 -2.905) 5.139 12.387 ( 2.415 -2.028 2.918) 4.297 12.483 ( 4.140 -2.968 -0.763) 5.150 12.589 ( 1.200 1.473 0.183) 1.908 12.753 ( -0.019 -6.175 -6.210) 8.757 13.108 ( -3.396 0.633 9.407) 10.022 13.272 ( -5.777 -1.341 0.533) 5.954 13.558 ( -3.860 -4.021 0.605) 5.606 13.735 ( 2.492 -0.603 -8.143) 8.537 13.899 ( -4.752 1.765 0.875) 5.144 14.088 ( -2.359 -0.145 -2.111) 3.169 14.221 ( 3.454 -6.038 0.515) 6.975 14.385 ( 5.285 -0.254 6.705) 8.541 14.740 ( -1.316 -3.590 -4.331) 5.777 14.801 ( -3.941 -1.790 -6.067) 7.453 15.383 ( 6.910 1.276 3.381) 7.798 15.530 ( 5.085 1.787 -2.988) 6.162 15.666 ( 5.222 -1.157 -4.334) 6.884 15.863 ( 0.757 -7.333 4.136) 8.453 17.962 ( -3.638 14.764 15.017) 21.371 18.928 ( 9.246 9.835 -27.441) 30.581 19.993 ( -6.049 -4.169 12.232) 14.269 20.186 ( -5.740 -1.403 2.704) 6.498 20.569 ( -0.033 3.539 4.470) 5.702 21.019 ( -9.192 7.725 -7.818) 14.327 21.100 ( -2.851 -5.258 3.926) 7.154 21.239 ( -2.584 -0.237 2.687) 3.735 21.542 ( -12.222 -5.030 -1.938) 13.358 21.707 ( -14.724 1.694 -0.625) 14.835 21.855 ( -14.038 0.139 0.438) 14.046 21.970 ( -13.368 3.816 0.815) 13.925 22.862 ( 0.352 -22.006 3.402) 22.270 23.005 ( 3.951 -20.729 -3.193) 21.342 23.814 ( 8.438 -1.572 0.163) 8.585 24.089 ( 6.658 -1.620 -0.849) 6.905 24.308 ( 10.831 10.030 0.153) 14.763 24.473 ( 19.936 2.545 -0.379) 20.101 24.621 ( 15.197 -0.085 5.960) 16.324 24.925 ( 15.349 -6.233 -7.266) 18.090 25.515 ( -1.310 3.474 -1.245) 3.916 25.543 ( 0.685 3.500 1.147) 3.746 25.596 ( -1.803 3.286 1.729) 4.128 25.723 ( 0.358 1.926 -1.976) 2.782 26.306 ( -4.208 1.434 0.042) 4.445 26.393 ( -5.103 0.456 -0.921) 5.206 26.634 ( -4.837 2.710 4.619) 7.216 26.784 ( -3.184 -0.215 -2.217) 3.885 ======================= Grid point 74 (32/72) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -11.738 -11.755 1.649) 16.694 1.457 ( 1.590 12.306 9.274) 15.491 1.896 ( 2.681 5.450 7.194) 9.415 2.071 ( -6.159 -17.381 -0.264) 18.441 2.083 ( 2.757 5.938 -0.936) 6.614 2.374 ( 2.527 -5.431 -2.002) 6.316 2.619 ( -1.290 0.944 3.234) 3.608 2.710 ( 7.175 -2.212 2.848) 8.030 2.716 ( 3.088 -4.083 1.534) 5.344 2.897 ( -1.815 0.843 -4.835) 5.233 3.061 ( 1.298 -7.143 -3.509) 8.064 3.135 ( -0.109 2.819 4.371) 5.203 3.197 ( -7.011 0.882 11.715) 13.681 3.265 ( 9.198 3.374 0.145) 9.799 3.441 ( 1.116 -0.003 0.653) 1.293 3.534 ( 7.013 0.079 0.645) 7.043 3.555 ( 8.917 1.191 1.388) 9.102 3.664 ( 7.748 8.275 0.564) 11.350 3.919 ( 4.354 -6.339 -8.671) 11.590 3.954 ( 0.444 2.943 -0.208) 2.983 3.986 ( 6.881 -3.216 -4.186) 8.673 4.088 ( 5.622 -5.277 -4.980) 9.179 4.138 ( -2.609 -1.155 -6.299) 6.915 4.265 ( 10.637 -3.214 5.746) 12.510 4.269 ( 5.882 -0.693 -2.650) 6.488 4.408 ( 5.014 2.037 -0.542) 5.439 4.443 ( -4.963 -6.206 -2.284) 8.268 4.599 ( 3.741 0.875 -0.595) 3.888 4.635 ( 0.788 -1.385 1.014) 1.889 4.792 ( -4.774 -5.912 -1.761) 7.800 4.862 ( -5.207 0.081 2.150) 5.634 4.955 ( 5.448 10.073 0.636) 11.470 5.025 ( 5.075 0.977 1.796) 5.472 5.103 ( -0.081 0.387 -4.321) 4.339 5.161 ( -2.903 7.139 0.123) 7.707 5.279 ( -0.952 -1.515 -1.174) 2.140 5.332 ( 6.139 2.235 -1.127) 6.629 5.367 ( -1.719 -1.040 -1.433) 2.468 5.511 ( 3.049 -1.545 -0.264) 3.428 5.591 ( 1.152 1.585 -8.553) 8.775 5.637 ( 0.498 1.958 5.584) 5.938 5.716 ( -2.691 -0.634 0.594) 2.828 5.877 ( -2.840 1.363 0.044) 3.151 5.944 ( 0.803 -1.505 -0.985) 1.969 6.023 ( -2.384 3.601 1.893) 4.715 6.058 ( 4.836 2.741 -1.457) 5.746 6.323 ( 1.244 -0.120 1.440) 1.907 6.396 ( -1.493 0.846 1.674) 2.398 6.454 ( 1.346 -4.563 -1.681) 5.046 6.503 ( 0.847 -2.998 4.153) 5.192 6.661 ( 1.697 -6.862 -3.880) 8.064 6.742 ( -0.659 -0.656 1.545) 1.804 6.779 ( -0.118 -1.523 2.169) 2.653 6.976 ( 1.408 1.852 0.257) 2.340 7.017 ( 0.796 1.833 8.169) 8.410 7.163 ( -0.987 -2.546 -5.109) 5.793 7.294 ( 0.846 0.947 1.582) 2.028 7.374 ( 2.200 1.771 1.935) 3.424 7.475 ( 4.477 6.355 -0.303) 7.780 7.731 ( 1.538 8.448 -3.297) 9.198 7.819 ( -1.046 0.899 0.725) 1.558 7.916 ( 1.169 4.088 1.815) 4.623 8.162 ( 10.540 1.731 3.118) 11.126 8.421 ( 7.635 2.648 -0.794) 8.120 8.684 ( -0.164 -2.672 -1.888) 3.275 8.718 ( -0.154 -4.649 2.867) 5.464 9.021 ( 9.918 -2.169 -5.078) 11.352 9.088 ( 8.525 -2.789 -2.494) 9.310 9.426 ( -6.978 3.259 1.673) 7.881 9.515 ( 0.229 -0.791 1.919) 2.089 9.547 ( -1.882 2.084 1.529) 3.198 9.726 ( -4.500 4.589 0.667) 6.462 9.982 ( -10.807 -2.114 -4.535) 11.909 10.035 ( -9.990 -1.993 -2.658) 10.527 10.245 ( -6.326 1.793 4.749) 8.111 10.440 ( -5.237 -2.216 -0.303) 5.695 10.522 ( -7.116 2.045 -0.919) 7.461 10.665 ( -4.845 -0.566 -0.549) 4.908 10.775 ( -3.001 -3.149 -0.143) 4.352 10.949 ( -6.703 3.340 -4.464) 8.718 11.006 ( 2.970 2.333 8.358) 9.172 11.371 ( -0.997 -0.832 0.933) 1.599 11.463 ( -0.708 2.099 7.391) 7.716 11.952 ( 6.469 3.942 -10.418) 12.881 12.018 ( -1.315 0.240 -3.328) 3.586 12.049 ( -1.188 1.697 -1.035) 2.316 12.460 ( 1.479 -3.180 6.283) 7.196 12.549 ( 2.896 -0.976 -0.181) 3.061 12.604 ( -0.155 0.041 1.172) 1.182 12.715 ( 0.393 -4.628 -4.711) 6.616 13.096 ( -4.033 0.910 11.127) 11.870 13.172 ( -4.337 -1.215 1.860) 4.873 13.492 ( -2.729 -4.833 -0.612) 5.584 13.722 ( 1.654 -0.180 -8.119) 8.288 13.861 ( -0.475 3.277 1.668) 3.707 14.041 ( -1.717 -2.079 -1.877) 3.286 14.256 ( 1.166 -7.006 -1.698) 7.303 14.516 ( 1.359 -2.651 5.224) 6.014 14.646 ( -0.730 -0.014 -7.275) 7.312 14.790 ( 2.730 -1.664 -1.209) 3.418 15.508 ( 3.799 1.316 1.664) 4.351 15.632 ( 5.810 0.628 -1.171) 5.960 15.707 ( 2.407 -0.283 -3.915) 4.604 15.869 ( -2.324 -4.246 3.359) 5.892 17.977 ( -4.206 14.763 14.562) 21.159 18.937 ( 8.856 10.266 -27.603) 30.754 19.976 ( -2.967 -1.853 10.987) 11.530 20.087 ( -5.578 -1.282 4.029) 7.000 20.647 ( 4.948 -0.559 2.514) 5.578 20.836 ( -5.522 2.619 -2.528) 6.614 21.044 ( -5.230 -0.374 3.144) 6.113 21.111 ( -11.836 1.264 0.055) 11.904 21.367 ( -0.721 -0.229 -5.336) 5.389 21.467 ( -9.854 -1.012 1.332) 9.995 21.715 ( -1.871 0.109 -0.500) 1.939 21.805 ( -5.553 3.109 0.086) 6.365 22.875 ( -0.821 -21.506 3.654) 21.830 23.040 ( 1.839 -21.140 -2.581) 21.376 23.899 ( 0.821 -1.639 3.114) 3.614 24.129 ( 0.654 -3.433 -3.012) 4.614 24.540 ( 11.169 8.916 0.348) 14.295 24.757 ( 11.572 1.832 -2.204) 11.921 24.971 ( 12.262 -0.799 5.868) 13.618 25.118 ( 8.070 -4.166 -3.795) 9.843 25.461 ( -2.838 4.796 -1.660) 5.814 25.546 ( -2.174 1.858 2.162) 3.585 25.600 ( 1.875 3.672 0.477) 4.150 25.710 ( -0.431 3.377 -1.156) 3.595 26.222 ( -3.602 1.310 -0.599) 3.879 26.296 ( -4.187 0.219 -0.279) 4.202 26.584 ( -3.086 1.829 3.595) 5.079 26.720 ( -1.654 -0.269 -2.582) 3.078 ======================= Grid point 75 (33/72) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 8.732 -9.153 12.006) 17.440 1.598 ( 4.115 7.921 4.989) 10.226 1.861 ( -5.032 0.217 -6.798) 8.461 2.037 ( -3.954 -1.485 14.338) 14.947 2.092 ( 0.571 -6.983 1.144) 7.099 2.452 ( -11.969 -1.813 -1.947) 12.261 2.477 ( 8.011 -1.150 -1.812) 8.294 2.688 ( -5.996 -5.300 -3.342) 8.672 2.806 ( 4.583 7.787 5.134) 10.392 2.979 ( -4.152 -3.614 -1.961) 5.844 3.084 ( 5.244 -0.774 6.040) 8.036 3.110 ( -4.236 3.925 6.229) 8.494 3.127 ( 1.014 -5.894 4.610) 7.551 3.379 ( 3.019 -1.677 -1.392) 3.723 3.473 ( 0.905 -1.456 -0.111) 1.717 3.554 ( -0.918 2.229 -2.081) 3.184 3.635 ( -3.498 0.223 0.754) 3.585 3.774 ( 3.179 9.188 -5.059) 10.960 3.873 ( -2.827 -2.069 -6.832) 7.678 3.953 ( -7.749 -3.742 -1.460) 8.728 4.058 ( 2.159 0.721 -1.214) 2.579 4.127 ( 5.999 -8.082 -4.586) 11.060 4.142 ( 9.096 -0.333 -6.288) 11.063 4.275 ( -5.657 -5.491 -1.212) 7.976 4.403 ( -0.527 -3.773 -1.056) 3.953 4.453 ( 4.589 -2.821 5.271) 7.536 4.557 ( -2.716 0.320 -2.120) 3.460 4.603 ( 10.220 0.721 4.176) 11.064 4.653 ( -1.559 4.914 0.724) 5.206 4.771 ( 0.130 -7.808 2.298) 8.140 4.859 ( 3.446 1.375 1.931) 4.182 4.945 ( -7.088 9.834 -2.848) 12.452 5.048 ( 1.882 4.105 -2.720) 5.271 5.107 ( 1.133 3.448 0.777) 3.711 5.145 ( -4.334 -0.817 -5.704) 7.211 5.229 ( -2.464 -2.418 3.155) 4.677 5.319 ( -2.529 1.950 1.376) 3.477 5.387 ( 0.840 -3.081 -6.033) 6.826 5.485 ( 1.467 1.255 -1.853) 2.676 5.570 ( -0.536 -1.334 2.043) 2.498 5.654 ( 0.186 4.079 -1.567) 4.374 5.720 ( 0.233 2.066 2.895) 3.564 5.829 ( -0.426 0.942 -2.265) 2.490 5.968 ( 1.728 -1.188 -2.179) 3.024 5.980 ( -1.431 3.851 1.409) 4.343 6.152 ( 4.880 1.128 -4.520) 6.746 6.293 ( -4.150 -0.938 6.185) 7.508 6.398 ( 0.634 2.643 0.993) 2.894 6.457 ( -1.700 0.366 -2.932) 3.409 6.536 ( -0.723 3.187 2.376) 4.041 6.669 ( 1.744 -9.721 -1.743) 10.029 6.747 ( 0.501 -2.473 2.623) 3.640 6.794 ( 0.130 -5.489 2.452) 6.014 6.961 ( -2.191 0.490 0.998) 2.457 7.049 ( -2.542 -3.285 -3.633) 5.518 7.133 ( 1.512 -0.232 0.679) 1.674 7.360 ( 2.850 0.792 6.121) 6.798 7.402 ( -0.636 3.011 2.333) 3.862 7.581 ( 4.348 6.628 2.881) 8.434 7.739 ( 0.440 7.962 -2.932) 8.496 7.782 ( -2.183 0.656 0.363) 2.308 7.906 ( -2.290 6.938 -0.984) 7.372 8.327 ( 1.853 0.412 1.696) 2.546 8.503 ( -1.281 4.391 -3.226) 5.597 8.618 ( -6.838 -2.435 1.165) 7.352 8.677 ( 1.310 -1.588 -0.027) 2.059 9.097 ( -1.862 0.260 -1.026) 2.141 9.241 ( 8.468 -7.224 -3.297) 11.609 9.372 ( 2.344 1.564 1.520) 3.202 9.501 ( -4.869 -3.193 0.858) 5.886 9.536 ( -1.711 2.062 3.401) 4.330 9.658 ( -0.079 2.404 -1.546) 2.859 9.833 ( -0.854 -2.827 -2.357) 3.778 9.924 ( 3.190 1.045 -5.800) 6.702 10.235 ( 2.268 1.062 6.211) 6.697 10.387 ( -1.036 0.740 2.710) 2.994 10.436 ( 0.784 0.476 -3.389) 3.511 10.601 ( -0.817 -2.063 -3.227) 3.916 10.719 ( -4.029 -0.108 1.210) 4.208 10.844 ( -0.069 2.428 -2.850) 3.744 11.132 ( 3.983 2.247 8.814) 9.929 11.339 ( -2.146 -0.978 -1.029) 2.573 11.479 ( -2.506 2.414 7.429) 8.204 11.970 ( 1.333 1.668 -8.794) 9.049 11.999 ( -0.115 -0.281 -0.440) 0.534 12.046 ( 3.663 4.284 -6.391) 8.521 12.501 ( -1.076 -3.312 5.502) 6.511 12.585 ( -0.007 -0.943 0.499) 1.067 12.595 ( -0.669 -1.122 1.687) 2.133 12.731 ( 4.020 -3.781 -3.898) 6.757 13.092 ( -3.766 1.632 12.754) 13.398 13.157 ( 1.194 -1.760 3.797) 4.352 13.451 ( -0.640 -5.716 -1.711) 6.000 13.712 ( 2.127 -0.353 -7.734) 8.029 13.880 ( 1.480 3.515 1.722) 4.185 13.995 ( -1.536 -2.273 -2.936) 4.018 14.273 ( 1.411 -6.171 -0.144) 6.332 14.420 ( -6.318 -2.651 -5.407) 8.728 14.726 ( 5.530 -0.423 1.979) 5.889 14.813 ( -0.257 -1.192 -1.371) 1.835 15.543 ( -1.039 0.308 0.735) 1.309 15.650 ( -1.036 -0.251 -3.453) 3.614 15.790 ( 4.871 -0.285 1.875) 5.227 15.815 ( -4.458 -2.020 0.916) 4.979 17.975 ( -4.901 14.951 14.150) 21.161 18.937 ( 8.358 10.469 -27.333) 30.439 19.966 ( -6.310 2.266 12.630) 14.299 20.087 ( 4.523 -6.010 2.379) 7.889 20.714 ( -5.572 -1.106 2.006) 6.025 20.769 ( 1.761 -0.788 -0.502) 1.994 20.920 ( -2.244 1.578 1.731) 3.244 21.032 ( 3.663 4.766 -1.497) 6.194 21.344 ( -3.572 -1.039 -0.358) 3.737 21.390 ( 4.444 -1.065 -2.586) 5.251 21.714 ( 0.200 2.094 -0.232) 2.116 21.733 ( -0.786 1.067 -0.519) 1.423 22.878 ( -1.179 -21.372 3.719) 21.725 23.051 ( 0.900 -21.048 -2.404) 21.204 23.920 ( -0.364 -1.093 3.788) 3.959 24.120 ( 0.789 -3.782 -3.592) 5.276 24.686 ( 1.892 7.261 2.827) 8.019 24.850 ( -1.251 3.576 -3.571) 5.206 25.090 ( -3.363 -1.583 2.333) 4.388 25.198 ( 2.720 -4.319 -2.058) 5.503 25.434 ( 1.653 4.590 0.133) 4.880 25.509 ( -1.588 1.662 -0.801) 2.434 25.621 ( -1.455 5.937 1.898) 6.400 25.724 ( 2.840 1.794 -0.353) 3.378 26.192 ( 1.063 1.154 0.453) 1.633 26.234 ( -1.677 0.500 -1.327) 2.197 26.557 ( -1.703 1.609 2.871) 3.705 26.697 ( 0.999 -0.337 -2.431) 2.649 ======================= Grid point 76 (34/72) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.993 -5.598 7.992) 10.206 1.673 ( 10.557 5.467 7.023) 13.808 1.748 ( 1.385 -0.749 -13.027) 13.122 2.032 ( -8.637 8.423 19.757) 23.150 2.079 ( -0.888 -8.605 -1.730) 8.822 2.296 ( -2.056 -5.221 2.054) 5.975 2.508 ( -7.174 -2.219 -3.681) 8.363 2.573 ( -2.008 -7.127 0.047) 7.405 2.824 ( -7.925 10.520 -1.723) 13.284 2.931 ( 4.569 -0.008 1.017) 4.681 3.023 ( -2.379 5.894 7.955) 10.182 3.182 ( 1.634 -5.001 -1.114) 5.378 3.271 ( -2.274 -3.073 2.943) 4.825 3.351 ( -12.801 -1.773 -1.048) 12.966 3.411 ( -2.142 -4.392 -1.522) 5.118 3.444 ( -2.183 -2.088 -0.608) 3.081 3.558 ( -3.343 -2.989 5.494) 7.092 3.727 ( -4.851 0.159 3.139) 5.780 3.821 ( 1.444 8.753 1.112) 8.940 3.839 ( -0.407 -3.271 -7.479) 8.173 4.041 ( -6.170 -0.892 -6.778) 9.209 4.114 ( -8.225 -0.675 -6.513) 10.513 4.145 ( 2.233 -9.462 -5.394) 11.118 4.267 ( 2.497 0.198 1.212) 2.783 4.330 ( -4.968 -0.085 2.340) 5.493 4.494 ( -4.425 -4.515 2.976) 6.987 4.538 ( -0.337 -4.232 0.429) 4.267 4.577 ( -2.928 5.043 -2.992) 6.554 4.711 ( -7.195 5.919 1.059) 9.377 4.779 ( 1.951 -3.737 -2.469) 4.885 4.843 ( -0.079 2.479 0.872) 2.630 4.902 ( -0.811 -2.878 -1.710) 3.445 4.964 ( 0.719 1.573 -3.874) 4.242 5.054 ( -1.356 1.208 -1.707) 2.492 5.144 ( 3.131 4.155 -1.132) 5.324 5.239 ( -0.966 -0.388 0.952) 1.410 5.272 ( -5.357 4.457 3.346) 7.730 5.351 ( 1.304 -4.143 -6.571) 7.877 5.489 ( -3.515 3.005 1.895) 4.998 5.585 ( 0.144 1.519 4.111) 4.385 5.690 ( -0.200 3.475 -2.704) 4.408 5.695 ( 2.636 -0.539 -1.208) 2.949 5.857 ( 1.692 2.546 0.082) 3.058 5.979 ( 2.281 0.251 -1.900) 2.979 6.005 ( 1.849 -0.418 -0.439) 1.946 6.155 ( -0.314 -0.938 -5.381) 5.471 6.292 ( -2.024 -1.099 9.927) 10.190 6.341 ( -7.100 0.651 -3.134) 7.789 6.416 ( -0.045 2.654 1.560) 3.079 6.530 ( 1.194 6.011 0.389) 6.141 6.690 ( -0.566 -6.352 3.157) 7.116 6.789 ( 1.336 -3.939 3.683) 5.556 6.816 ( -0.314 -6.670 4.342) 7.965 6.885 ( -3.522 -0.520 -4.574) 5.796 6.996 ( -0.800 -2.740 -1.497) 3.224 7.171 ( 1.634 -0.982 0.203) 1.917 7.367 ( -4.503 3.520 1.897) 6.022 7.424 ( -0.541 1.763 4.588) 4.945 7.624 ( -0.975 4.180 -2.731) 5.087 7.694 ( -1.550 6.062 -3.688) 7.262 7.767 ( -1.742 2.543 1.311) 3.350 7.845 ( -2.174 6.457 0.438) 6.828 8.203 ( -13.026 0.076 7.660) 15.112 8.375 ( -5.346 2.695 -4.267) 7.352 8.570 ( -3.716 -0.949 1.071) 3.983 8.665 ( -3.992 -6.376 -2.173) 7.830 8.982 ( -5.979 5.445 -3.130) 8.672 9.315 ( -1.065 -9.859 -2.556) 10.241 9.427 ( 3.222 8.048 2.598) 9.050 9.516 ( 5.622 0.196 1.100) 5.732 9.526 ( 0.563 -0.689 1.827) 2.033 9.721 ( 4.571 3.711 1.160) 6.001 9.879 ( 8.563 -3.482 -3.473) 9.875 10.072 ( 11.755 -0.240 -3.394) 12.238 10.380 ( 8.294 -2.819 4.311) 9.763 10.436 ( 4.125 0.022 3.389) 5.339 10.515 ( 8.476 0.334 -5.201) 9.950 10.598 ( 3.160 -0.234 -3.539) 4.750 10.670 ( -0.775 1.565 3.977) 4.343 10.899 ( 5.528 1.559 -0.199) 5.747 11.243 ( 1.261 1.028 6.099) 6.313 11.287 ( -0.992 -0.482 -1.875) 2.175 11.457 ( -4.030 3.240 6.885) 8.611 11.929 ( -0.063 2.776 -8.689) 9.122 11.993 ( 0.415 1.050 -0.826) 1.399 12.098 ( 5.154 2.178 -5.414) 7.786 12.483 ( -3.399 -3.263 3.446) 5.837 12.572 ( -0.974 -3.558 2.282) 4.337 12.600 ( -0.690 0.640 0.940) 1.330 12.814 ( 6.379 -5.832 -4.133) 9.581 13.114 ( -1.854 0.654 12.840) 12.990 13.243 ( 4.550 -1.552 4.384) 6.506 13.449 ( 1.578 -6.136 -2.234) 6.718 13.703 ( 2.288 -0.171 -9.331) 9.609 13.930 ( 0.258 0.021 1.088) 1.118 13.966 ( 2.567 0.930 -2.029) 3.402 14.262 ( -5.630 -2.217 -4.268) 7.405 14.312 ( 0.626 -3.648 3.286) 4.950 14.758 ( -2.594 -1.605 -3.205) 4.425 14.815 ( 2.138 -1.733 -1.634) 3.200 15.481 ( -5.566 -0.305 1.677) 5.821 15.598 ( -2.731 -0.735 -1.964) 3.444 15.691 ( -7.527 -0.360 -1.705) 7.726 15.872 ( 1.255 -0.581 2.438) 2.803 17.961 ( -5.319 15.223 14.147) 21.452 18.931 ( 8.002 10.312 -26.653) 29.678 19.920 ( -5.045 0.467 9.623) 10.875 20.248 ( 9.044 -5.200 5.180) 11.648 20.575 ( -6.592 0.583 2.494) 7.072 20.791 ( 0.157 1.740 -2.903) 3.388 21.001 ( 7.406 -3.933 1.519) 8.522 21.186 ( 7.817 5.024 2.813) 9.709 21.344 ( 8.381 1.747 -5.040) 9.935 21.499 ( 7.107 -2.384 0.034) 7.496 21.702 ( 1.937 2.961 -0.512) 3.575 21.787 ( 4.794 0.989 0.085) 4.896 22.873 ( -1.715 -21.460 3.425) 21.799 23.047 ( 0.175 -20.866 -2.312) 20.995 23.941 ( 0.141 -0.871 4.097) 4.191 24.107 ( -0.514 -3.292 -4.064) 5.255 24.613 ( -12.020 4.785 1.846) 13.068 24.688 ( -10.600 6.237 -3.472) 12.780 24.921 ( -14.098 -1.065 3.644) 14.600 25.198 ( -2.011 -6.412 -1.783) 6.952 25.479 ( 0.443 3.632 -2.430) 4.392 25.505 ( 3.155 3.462 1.334) 4.870 25.591 ( -2.112 4.239 1.883) 5.096 25.780 ( 2.550 0.364 -0.957) 2.748 26.217 ( 0.872 0.792 -1.565) 1.958 26.264 ( 5.431 2.299 0.691) 5.937 26.557 ( 0.036 2.256 3.141) 3.867 26.727 ( 3.332 -0.039 -2.113) 3.946 ======================= Grid point 77 (35/72) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -21.026 9.623 5.617) 23.796 1.562 ( -19.077 9.354 5.983) 22.073 1.926 ( 0.119 -14.239 -14.622) 20.410 2.103 ( 1.647 6.272 9.467) 11.475 2.145 ( 7.692 -7.669 8.056) 13.524 2.261 ( -8.975 -8.829 8.233) 15.043 2.373 ( -10.505 4.144 -8.750) 14.286 2.514 ( 1.163 -0.264 6.027) 6.143 2.561 ( -7.365 2.589 0.561) 7.827 2.939 ( -16.896 -0.428 4.310) 17.443 3.009 ( -2.744 3.336 -5.173) 6.740 3.080 ( 6.218 -2.151 -0.449) 6.595 3.136 ( 1.930 0.036 -2.344) 3.036 3.270 ( -5.054 -6.059 -4.790) 9.230 3.368 ( 0.165 -1.200 2.811) 3.061 3.413 ( -0.732 1.296 2.487) 2.898 3.635 ( -8.816 -4.521 -2.334) 10.179 3.656 ( -4.486 -4.497 0.042) 6.352 3.745 ( 3.420 -6.863 9.613) 12.297 3.871 ( -6.276 1.640 2.481) 6.945 3.882 ( -2.275 -3.719 1.436) 4.590 3.917 ( -0.423 1.451 -5.633) 5.833 4.146 ( -1.301 2.250 -11.035) 11.337 4.222 ( -0.680 -5.498 0.513) 5.564 4.325 ( -6.045 7.579 1.197) 9.768 4.350 ( -4.753 0.177 4.555) 6.586 4.437 ( -5.015 2.098 -0.289) 5.444 4.573 ( -3.554 4.323 -7.351) 9.239 4.609 ( 4.937 0.713 -8.098) 9.511 4.772 ( -4.301 -2.539 -0.927) 5.080 4.827 ( 0.408 -4.556 3.464) 5.738 4.867 ( 0.037 -3.598 -3.283) 4.871 5.022 ( -1.723 -1.396 2.851) 3.612 5.046 ( 0.413 7.915 -1.621) 8.090 5.116 ( -3.591 1.325 -5.236) 6.485 5.163 ( -2.372 -1.818 0.710) 3.072 5.264 ( 2.961 3.533 0.578) 4.646 5.351 ( -5.355 4.230 2.151) 7.155 5.400 ( -0.392 -0.711 -1.790) 1.965 5.604 ( -0.943 -0.467 0.494) 1.163 5.691 ( -0.754 1.987 5.073) 5.500 5.728 ( 0.182 2.248 -1.768) 2.866 5.826 ( -1.904 0.894 -2.610) 3.352 5.980 ( 0.057 1.292 -5.380) 5.534 6.067 ( 3.690 -3.110 2.622) 5.492 6.136 ( -0.995 1.041 1.650) 2.190 6.177 ( -4.622 -2.654 -4.052) 6.695 6.290 ( -1.092 -4.119 -0.335) 4.274 6.475 ( 0.947 2.002 8.944) 9.214 6.574 ( 2.781 5.432 -1.377) 6.256 6.691 ( -2.098 -5.954 8.340) 10.460 6.802 ( -2.020 -5.170 -1.887) 5.862 6.831 ( -0.699 -3.078 5.830) 6.629 6.849 ( 3.351 2.701 -1.379) 4.520 6.977 ( -1.110 -1.550 1.019) 2.162 7.155 ( -4.957 0.450 -2.852) 5.736 7.269 ( -2.810 1.236 -0.915) 3.203 7.408 ( -2.785 2.253 3.089) 4.730 7.560 ( -2.749 2.916 -4.645) 6.135 7.621 ( -1.309 4.845 -8.191) 9.606 7.709 ( -5.400 2.469 5.102) 7.829 7.839 ( -0.472 2.320 1.840) 2.999 8.083 ( -4.403 2.672 10.011) 11.258 8.252 ( -9.945 -3.151 -2.675) 10.770 8.341 ( -10.535 4.380 -1.714) 11.538 8.618 ( -2.469 -7.428 0.252) 7.831 8.885 ( -2.113 4.024 -3.198) 5.557 9.230 ( -5.879 -10.575 -5.901) 13.461 9.453 ( -1.766 9.558 1.884) 9.901 9.577 ( 1.025 5.072 0.586) 5.207 9.641 ( 7.868 1.202 0.340) 7.966 9.820 ( 4.838 4.331 1.528) 6.671 10.098 ( 13.076 -6.033 -0.523) 14.410 10.287 ( 11.419 -1.013 1.086) 11.515 10.549 ( 4.996 -1.373 5.281) 7.398 10.560 ( 3.322 -1.494 -3.654) 5.160 10.602 ( 10.178 -2.814 -2.134) 10.773 10.721 ( 6.131 0.943 2.517) 6.694 10.779 ( 9.766 1.370 0.979) 9.910 11.014 ( 4.766 2.457 0.596) 5.395 11.206 ( -1.560 -1.922 -3.144) 4.002 11.326 ( 0.692 1.977 3.643) 4.202 11.423 ( -3.185 3.921 6.768) 8.445 11.864 ( -0.655 4.340 -9.522) 10.485 12.021 ( 3.056 1.138 -0.164) 3.265 12.176 ( 5.774 0.909 -4.091) 7.134 12.425 ( -4.046 -4.137 1.980) 6.116 12.560 ( -2.732 -2.455 2.069) 4.216 12.583 ( -1.165 -0.758 1.536) 2.072 12.878 ( 2.349 -10.074 -8.418) 13.337 13.159 ( -2.552 -1.702 11.551) 11.951 13.370 ( 6.119 -0.977 1.239) 6.319 13.480 ( 3.315 -5.235 -3.589) 7.160 13.692 ( 2.682 -0.873 -9.904) 10.298 13.922 ( 0.464 -0.204 1.853) 1.921 14.032 ( 2.718 -0.027 -1.546) 3.127 14.144 ( -3.933 -2.268 -1.732) 4.859 14.379 ( 2.890 1.844 8.957) 9.590 14.694 ( -0.778 -3.109 -5.105) 6.027 14.776 ( -3.365 -2.410 -8.059) 9.060 15.372 ( -7.089 0.150 3.804) 8.047 15.486 ( -8.554 -1.752 0.077) 8.732 15.549 ( -4.365 2.712 -2.789) 5.847 15.859 ( -4.064 -1.042 2.328) 4.798 17.944 ( -5.384 15.431 14.410) 21.789 18.925 ( 7.833 9.702 -25.900) 28.746 19.897 ( -2.882 -0.664 9.145) 9.611 20.444 ( 3.017 -4.019 7.942) 9.398 20.530 ( 1.626 1.299 4.637) 5.082 20.789 ( 4.438 0.743 -7.275) 8.554 21.123 ( 3.120 -3.648 1.704) 5.094 21.316 ( 8.378 5.606 2.522) 10.391 21.541 ( 1.677 -1.759 -2.363) 3.389 21.700 ( 22.676 3.492 -1.657) 23.003 21.889 ( 16.813 1.253 1.283) 16.908 21.921 ( 9.333 0.228 0.431) 9.346 22.846 ( -3.355 -21.545 2.544) 21.952 23.027 ( -0.908 -20.527 -2.190) 20.664 23.945 ( -6.373 -2.441 -0.678) 6.858 24.017 ( -3.918 3.067 -0.149) 4.977 24.298 ( -18.135 2.280 -0.198) 18.279 24.433 ( -15.948 6.095 0.763) 17.090 24.660 ( -12.787 -2.244 3.618) 13.477 25.069 ( -10.090 -10.917 -6.411) 16.190 25.477 ( 0.559 5.377 -0.854) 5.473 25.557 ( 0.217 3.097 1.081) 3.288 25.584 ( 1.347 1.772 1.083) 2.476 25.792 ( -0.334 0.487 -2.743) 2.806 26.250 ( 2.738 0.620 0.781) 2.914 26.383 ( 6.247 2.435 -0.738) 6.745 26.604 ( 2.790 4.484 4.636) 7.027 26.792 ( 4.378 0.516 -1.912) 4.805 ======================= Grid point 78 (36/72) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -22.888 10.060 9.753) 26.837 1.103 ( -32.091 10.492 7.277) 34.538 1.699 ( -29.374 13.627 27.230) 42.308 1.795 ( -6.974 -0.861 -2.895) 7.600 2.036 ( -10.038 -7.587 -11.759) 17.223 2.311 ( 5.933 5.998 -5.473) 10.056 2.361 ( -3.562 -8.345 3.130) 9.598 2.434 ( -4.212 -6.842 -2.292) 8.355 2.648 ( 3.491 1.881 0.960) 4.080 2.875 ( 4.887 -8.462 -3.809) 10.488 2.907 ( -8.348 -8.562 3.035) 12.337 3.014 ( 6.725 1.385 -9.262) 11.530 3.140 ( -5.082 0.886 -3.016) 5.976 3.330 ( 5.303 -1.296 0.783) 5.515 3.405 ( -1.572 -2.236 0.459) 2.771 3.436 ( 2.726 -3.093 6.181) 7.430 3.501 ( -4.334 0.696 0.643) 4.437 3.576 ( -0.531 -8.984 1.531) 9.129 3.640 ( -1.329 -3.986 -8.232) 9.242 3.873 ( -5.432 2.604 3.622) 7.029 3.924 ( 8.302 0.679 -10.297) 13.244 3.990 ( 3.063 -5.679 9.970) 11.876 4.053 ( -3.345 3.991 -1.766) 5.499 4.123 ( -5.533 4.201 0.964) 7.014 4.291 ( -2.795 6.010 -0.689) 6.663 4.325 ( -2.958 3.719 1.730) 5.058 4.366 ( 1.551 -1.375 0.342) 2.101 4.443 ( -5.677 1.420 1.016) 5.940 4.642 ( 0.557 1.957 -3.668) 4.195 4.727 ( 1.432 0.373 -1.778) 2.313 4.798 ( -1.582 -3.058 0.291) 3.456 4.856 ( -3.801 3.784 2.672) 5.992 4.967 ( -2.286 -0.735 0.004) 2.401 5.014 ( 1.215 -1.648 -4.144) 4.622 5.052 ( -3.240 0.969 -1.499) 3.700 5.143 ( -2.496 3.002 -1.412) 4.151 5.237 ( -0.731 1.421 2.493) 2.961 5.311 ( 0.549 1.600 0.355) 1.729 5.453 ( -0.168 2.435 -1.723) 2.988 5.537 ( -3.043 2.371 -2.351) 4.518 5.593 ( -3.742 -2.786 4.322) 6.359 5.759 ( 0.919 -3.546 -4.644) 5.914 5.837 ( 3.432 3.100 -1.394) 4.830 5.981 ( 2.034 2.038 -3.415) 4.467 6.032 ( -6.731 -3.182 2.083) 7.731 6.132 ( 1.044 -0.156 0.562) 1.196 6.196 ( 4.603 -2.315 -3.193) 6.061 6.313 ( 3.269 -7.343 0.417) 8.049 6.492 ( -1.864 1.968 4.539) 5.287 6.580 ( -1.383 -0.513 -0.581) 1.585 6.724 ( -5.300 -5.472 2.764) 8.104 6.747 ( 0.594 -4.716 4.756) 6.724 6.878 ( 2.888 3.340 4.810) 6.530 6.920 ( 4.207 -1.321 -4.745) 6.477 7.003 ( -3.045 -0.167 10.288) 10.730 7.014 ( -0.080 -0.937 -0.885) 1.292 7.270 ( 2.299 3.418 0.681) 4.175 7.385 ( 0.829 3.070 -0.783) 3.275 7.441 ( -7.389 -2.187 0.109) 7.707 7.573 ( -0.837 1.834 -6.057) 6.384 7.657 ( -0.148 4.962 -2.048) 5.370 7.833 ( -0.591 0.541 0.080) 0.805 7.956 ( -14.181 -1.403 2.780) 14.519 8.089 ( -2.989 4.068 6.108) 7.924 8.266 ( 0.057 8.080 -3.723) 8.897 8.516 ( -11.446 -15.305 -1.349) 19.159 8.819 ( -5.779 -6.919 -3.947) 9.841 8.985 ( -10.193 1.864 -8.263) 13.253 9.430 ( -0.688 11.330 0.149) 11.352 9.575 ( -0.751 6.496 -1.004) 6.615 9.775 ( 4.864 3.731 1.400) 6.288 9.913 ( 4.065 6.372 -1.265) 7.663 10.330 ( 9.447 -7.845 3.554) 12.783 10.502 ( 6.724 -4.878 5.112) 9.754 10.596 ( 3.508 -0.827 -2.937) 4.649 10.647 ( 2.191 -2.319 1.922) 3.724 10.782 ( 6.196 -1.009 0.205) 6.281 10.835 ( 5.531 -2.174 -0.345) 5.953 10.962 ( 6.725 0.112 1.566) 6.905 11.031 ( -1.382 2.097 -2.239) 3.365 11.216 ( 2.886 -0.798 -0.441) 3.026 11.352 ( 1.339 2.505 1.309) 3.128 11.415 ( -2.103 3.887 5.824) 7.311 11.805 ( 0.763 5.036 -9.391) 10.684 12.105 ( 5.098 1.469 0.605) 5.340 12.262 ( 5.313 0.083 -3.737) 6.496 12.358 ( -3.622 -4.906 0.567) 6.124 12.477 ( -6.677 -2.638 -2.363) 7.558 12.567 ( -2.158 -2.064 2.842) 4.122 12.703 ( -12.899 -7.583 -14.221) 20.643 13.131 ( -5.490 2.371 10.824) 12.366 13.411 ( 0.723 -0.473 -7.521) 7.571 13.561 ( 5.529 -2.604 -0.416) 6.126 13.704 ( 3.250 -2.237 -4.552) 6.024 13.998 ( 2.669 -2.791 3.805) 5.422 14.066 ( 3.480 1.820 1.564) 4.227 14.087 ( -2.645 -5.752 2.454) 6.789 14.512 ( 2.805 5.479 -4.960) 7.905 14.618 ( 0.900 -2.286 5.182) 5.735 14.736 ( 3.982 -3.000 -0.463) 5.007 15.256 ( -6.803 1.364 3.789) 7.906 15.369 ( -4.218 0.081 5.297) 6.772 15.462 ( -1.955 2.469 -3.926) 5.033 15.753 ( -7.707 -1.377 1.723) 8.016 17.930 ( -5.093 15.436 14.676) 21.900 18.920 ( 7.772 8.693 -25.785) 28.299 19.932 ( 0.006 -3.101 11.751) 12.153 20.442 ( -3.621 -4.253 2.289) 6.036 20.622 ( 0.625 5.212 9.632) 10.970 20.917 ( 9.799 -3.655 -0.926) 10.499 21.160 ( 1.404 -0.964 -1.719) 2.420 21.502 ( -2.126 0.406 -4.942) 5.395 21.644 ( 24.958 4.615 5.849) 26.047 22.147 ( 17.583 -1.451 3.082) 17.910 22.200 ( 22.990 -1.600 -3.243) 23.272 22.264 ( 18.198 0.327 1.973) 18.308 22.742 ( -9.536 -17.901 0.334) 20.285 22.976 ( -3.610 -20.358 -2.602) 20.838 23.635 ( -16.638 5.533 -4.964) 18.223 23.931 ( -16.528 -2.720 -5.248) 17.553 24.007 ( -10.759 3.331 5.510) 12.538 24.125 ( -11.245 3.923 9.321) 15.123 24.523 ( -3.711 -4.417 -2.695) 6.368 24.663 ( -24.971 -9.394 -14.009) 30.134 25.485 ( 0.265 4.943 0.643) 4.991 25.560 ( 0.416 3.319 -0.709) 3.420 25.620 ( 1.114 1.583 1.509) 2.455 25.745 ( -2.092 2.536 -2.606) 4.195 26.322 ( 2.703 -0.719 3.733) 4.665 26.474 ( 3.826 0.833 -2.129) 4.457 26.729 ( 6.858 5.105 3.436) 9.214 26.860 ( 3.484 0.834 -1.726) 3.976 ======================= Grid point 79 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 8.050 18.001 10.462) 22.322 1.071 ( -5.513 23.281 -0.137) 23.925 1.659 ( 0.308 -1.325 -9.389) 9.487 1.687 ( -2.511 2.442 -9.327) 9.963 1.948 ( -1.491 9.659 17.612) 20.142 2.109 ( -6.508 -5.245 -1.429) 8.480 2.288 ( 9.093 -11.327 -1.058) 14.564 2.379 ( 1.502 -13.545 -4.622) 14.391 2.564 ( -4.777 -2.718 -2.953) 6.240 2.721 ( 1.610 0.136 1.025) 1.913 2.815 ( 10.586 -10.650 -2.280) 15.188 2.951 ( -3.303 -5.912 -3.983) 7.857 3.144 ( -2.346 2.925 -7.435) 8.327 3.173 ( 4.111 1.271 -8.139) 9.207 3.290 ( -6.090 -1.443 3.913) 7.381 3.437 ( 0.494 -1.518 2.177) 2.699 3.493 ( -3.936 -7.766 8.085) 11.881 3.580 ( -3.079 2.001 3.372) 4.985 3.659 ( 2.743 3.855 0.240) 4.737 3.780 ( -0.666 -7.002 -0.255) 7.039 3.916 ( 0.899 3.573 -1.969) 4.177 3.986 ( 3.305 -1.454 -4.993) 6.162 4.059 ( -3.913 0.514 5.395) 6.684 4.188 ( 1.861 3.840 -0.205) 4.273 4.249 ( -5.929 1.365 4.069) 7.319 4.406 ( 6.870 2.432 -3.218) 7.967 4.475 ( 3.380 3.464 5.601) 7.402 4.568 ( -3.765 5.690 -3.878) 7.848 4.625 ( 1.125 -2.073 1.142) 2.621 4.678 ( 4.344 -1.006 4.792) 6.546 4.850 ( -1.266 0.523 6.789) 6.926 4.877 ( -4.134 -2.935 -3.608) 6.223 4.993 ( 2.285 2.454 -1.230) 3.571 5.021 ( 1.334 6.543 -0.493) 6.696 5.100 ( 1.758 9.011 -4.295) 10.136 5.130 ( -3.237 0.112 -1.031) 3.400 5.199 ( 1.231 -1.770 2.069) 2.988 5.331 ( 0.234 -0.180 4.368) 4.378 5.377 ( -5.022 1.613 -3.193) 6.166 5.496 ( 0.637 -4.189 -2.029) 4.698 5.620 ( 0.223 -1.917 -2.761) 3.368 5.738 ( 9.736 -0.512 -7.621) 12.375 5.795 ( -4.767 -1.775 2.623) 5.724 5.897 ( -1.108 -1.233 -0.323) 1.689 6.033 ( 1.374 0.539 -2.111) 2.576 6.146 ( 0.698 -2.655 -1.086) 2.952 6.204 ( 0.621 1.239 2.732) 3.064 6.286 ( 1.703 -3.501 2.379) 4.563 6.431 ( -4.576 -5.632 3.441) 8.032 6.519 ( -4.434 2.510 5.446) 7.458 6.582 ( 1.537 -3.422 -2.023) 4.262 6.728 ( -1.244 -0.110 2.474) 2.771 6.833 ( -0.800 -2.511 -5.103) 5.743 6.964 ( 1.126 -1.083 7.518) 7.679 6.990 ( 0.835 -1.691 0.047) 1.887 7.075 ( 2.926 -0.273 -5.132) 5.914 7.229 ( -2.142 -0.229 -2.451) 3.263 7.355 ( -0.018 -4.773 -1.805) 5.103 7.426 ( 2.836 0.841 2.505) 3.877 7.571 ( 2.423 -0.189 -2.093) 3.207 7.678 ( -11.841 -2.119 3.870) 12.636 7.801 ( 3.952 -0.399 0.471) 4.000 7.846 ( 2.020 2.024 -7.582) 8.103 7.911 ( -0.004 0.237 -4.688) 4.694 8.227 ( -2.005 3.618 6.164) 7.423 8.486 ( -2.327 -1.713 -3.150) 4.275 8.756 ( 2.887 12.972 9.512) 16.342 9.062 ( -0.823 7.047 -2.501) 7.523 9.694 ( 3.663 10.604 -2.077) 11.409 9.717 ( -2.960 11.523 -2.271) 12.112 9.940 ( -0.923 6.515 3.428) 7.419 10.079 ( 0.795 5.437 -2.264) 5.943 10.313 ( 1.337 -8.043 9.003) 12.146 10.426 ( -3.354 -3.234 3.649) 5.917 10.581 ( -2.393 -3.468 -1.752) 4.563 10.614 ( 1.089 -1.517 -3.716) 4.159 10.839 ( -1.960 2.090 -0.459) 2.902 10.881 ( 4.773 -1.778 -1.526) 5.317 10.948 ( -3.810 -1.820 2.529) 4.922 11.066 ( 1.817 0.825 -2.352) 3.085 11.240 ( 1.067 -0.113 -0.204) 1.092 11.365 ( -1.756 -0.186 -3.656) 4.060 11.466 ( -3.082 2.560 6.770) 7.867 11.890 ( 4.274 3.550 -10.473) 11.855 12.175 ( -0.514 -4.010 0.168) 4.047 12.204 ( -0.561 -7.962 -0.712) 8.013 12.258 ( -2.222 1.355 2.965) 3.945 12.388 ( 4.099 0.418 -2.885) 5.030 12.573 ( 2.817 3.212 0.977) 4.383 12.596 ( -2.538 3.481 0.856) 4.392 13.158 ( -2.554 1.637 4.434) 5.372 13.341 ( 0.951 -4.541 -3.967) 6.105 13.558 ( 0.796 -3.949 0.851) 4.117 13.649 ( 1.783 -5.710 -3.682) 7.024 13.931 ( -1.722 -3.623 3.865) 5.570 13.966 ( 0.950 -3.282 0.848) 3.521 14.231 ( 1.673 3.775 2.344) 4.748 14.419 ( -4.749 -0.313 -5.927) 7.602 14.744 ( 2.138 -3.778 3.128) 5.351 14.765 ( 7.817 -4.842 4.232) 10.122 15.224 ( -2.520 1.938 2.821) 4.250 15.312 ( -1.470 -1.535 1.837) 2.809 15.525 ( 2.903 1.402 -0.259) 3.234 15.605 ( -1.693 -0.996 -1.563) 2.510 18.348 ( -3.897 27.076 12.097) 29.910 19.151 ( 6.659 14.619 -21.269) 26.654 19.915 ( 1.009 -5.038 6.964) 8.654 20.162 ( -4.752 -14.947 -4.561) 16.334 20.778 ( 0.948 0.784 8.448) 8.537 20.890 ( -1.142 -10.930 4.482) 11.868 21.153 ( 2.340 1.440 3.467) 4.424 21.453 ( 0.283 -1.869 -7.394) 7.632 21.781 ( -5.818 -9.001 10.067) 14.704 22.283 ( 4.797 -7.612 -6.788) 11.270 22.473 ( -3.476 0.795 -0.409) 3.589 22.518 ( 3.161 -0.178 -2.239) 3.878 22.559 ( 0.105 -1.042 0.641) 1.228 22.602 ( -0.489 -3.987 -0.874) 4.111 23.388 ( -1.510 -2.555 -6.856) 7.471 23.544 ( 0.426 -4.647 -7.896) 9.172 23.957 ( -2.864 6.003 8.772) 11.008 24.134 ( 1.514 -2.538 10.047) 10.472 24.310 ( 0.030 3.030 -5.940) 6.668 24.420 ( 0.560 -3.636 -3.304) 4.944 25.598 ( -0.097 5.378 0.634) 5.417 25.638 ( 0.260 3.889 -0.808) 3.981 25.689 ( 0.314 2.548 1.932) 3.213 25.756 ( -0.932 1.753 -0.659) 2.092 26.385 ( 0.556 1.570 2.307) 2.845 26.500 ( 0.882 -0.933 -1.778) 2.193 26.844 ( 0.152 0.604 -0.469) 0.779 26.877 ( -1.017 -0.552 -0.692) 1.348 ======================= Grid point 80 (38/72) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 4.382 19.446 -2.614) 20.104 1.486 ( 27.621 3.625 2.965) 28.015 1.667 ( 8.823 1.731 -7.109) 11.462 1.792 ( 12.086 -0.600 -3.163) 12.508 2.022 ( -0.666 -7.608 -4.170) 8.701 2.088 ( 5.103 6.972 10.563) 13.646 2.322 ( -4.300 -8.640 4.459) 10.631 2.401 ( 1.912 -10.257 0.649) 10.454 2.560 ( 7.736 -3.278 -7.314) 11.140 2.728 ( -1.738 -3.143 0.220) 3.599 2.965 ( 7.568 -5.100 -11.682) 14.824 3.021 ( -2.411 3.239 -1.092) 4.183 3.066 ( 6.158 -0.499 0.970) 6.254 3.209 ( 6.793 -2.527 0.529) 7.268 3.269 ( 6.541 2.501 -2.866) 7.567 3.371 ( -6.138 -3.480 2.991) 7.664 3.475 ( -6.433 -3.289 4.976) 8.773 3.576 ( 4.048 -4.459 -0.823) 6.078 3.687 ( 0.518 -2.424 3.782) 4.522 3.711 ( -2.880 9.023 1.552) 9.598 3.944 ( 1.861 3.920 0.996) 4.453 3.991 ( -2.521 -2.391 0.535) 3.515 4.058 ( 0.287 -4.508 -0.072) 4.518 4.151 ( -2.338 -3.153 3.307) 5.133 4.253 ( 1.187 3.240 -3.639) 5.015 4.412 ( -5.267 5.629 4.463) 8.907 4.502 ( 4.298 8.542 -3.384) 10.143 4.588 ( 3.921 3.459 0.555) 5.258 4.655 ( -3.074 -5.536 -0.563) 6.357 4.766 ( -2.945 -4.346 -4.090) 6.655 4.853 ( 8.435 -0.805 1.876) 8.678 4.896 ( 0.905 -1.073 3.448) 3.723 5.005 ( -1.148 -0.730 -1.555) 2.066 5.067 ( 3.883 0.858 0.121) 3.979 5.085 ( 2.234 -0.511 -0.378) 2.322 5.169 ( 5.252 4.904 -2.115) 7.490 5.227 ( 2.626 6.735 1.613) 7.407 5.330 ( 1.316 -1.633 2.291) 3.106 5.404 ( 4.696 2.450 -0.483) 5.319 5.501 ( 0.337 -1.082 -3.564) 3.740 5.607 ( 0.953 -0.288 -2.938) 3.102 5.758 ( 0.534 0.274 -1.542) 1.654 5.841 ( 3.099 -7.656 -4.655) 9.480 5.915 ( 4.268 6.667 0.883) 7.965 6.054 ( 1.628 0.665 -0.590) 1.855 6.147 ( -0.068 0.276 -1.170) 1.204 6.259 ( 2.425 0.219 3.659) 4.395 6.287 ( -4.037 -4.404 3.861) 7.114 6.391 ( -1.334 -2.381 3.565) 4.489 6.455 ( -3.953 -0.301 3.628) 5.374 6.593 ( 1.049 -0.794 -0.534) 1.419 6.666 ( -3.937 -1.112 -5.059) 6.506 6.784 ( -3.370 -4.449 3.359) 6.514 6.958 ( -1.150 -0.116 2.108) 2.404 7.099 ( 5.312 0.471 -2.307) 5.811 7.173 ( 8.158 3.905 -1.730) 9.209 7.205 ( 2.558 -2.199 0.259) 3.383 7.333 ( -0.788 1.468 2.889) 3.335 7.458 ( -6.540 -0.240 -2.207) 6.907 7.623 ( 6.865 -1.702 1.296) 7.190 7.697 ( 13.971 -2.728 -3.039) 14.556 7.798 ( -0.564 -0.318 -0.344) 0.733 7.954 ( 5.284 -1.970 -1.734) 5.899 8.020 ( 12.149 -1.832 -1.375) 12.363 8.236 ( 1.210 3.788 3.418) 5.243 8.468 ( 1.756 -2.452 -1.171) 3.235 8.859 ( 1.885 9.202 7.855) 12.245 9.037 ( 0.494 5.270 -4.471) 6.928 9.622 ( -4.464 8.724 -2.871) 10.212 9.741 ( 0.905 12.381 -1.317) 12.484 9.907 ( -4.809 5.972 4.398) 8.839 10.009 ( -5.600 5.358 -1.544) 7.903 10.330 ( -4.602 -3.623 5.165) 7.809 10.350 ( -7.630 -4.150 4.082) 9.597 10.479 ( -4.807 -2.765 -2.371) 6.031 10.582 ( -2.957 -3.700 -1.952) 5.123 10.763 ( -4.604 2.468 -1.200) 5.360 10.863 ( -4.780 -0.772 2.293) 5.357 10.921 ( -1.601 -1.108 0.503) 2.011 11.061 ( -1.632 1.392 -2.861) 3.576 11.252 ( -1.037 2.005 0.840) 2.408 11.307 ( -0.688 0.195 -2.122) 2.239 11.449 ( -2.551 0.509 6.684) 7.172 11.923 ( 5.413 3.025 -10.593) 12.274 12.106 ( -4.751 -4.565 0.443) 6.604 12.217 ( -1.615 -0.855 1.670) 2.475 12.252 ( 2.393 -3.615 -0.526) 4.367 12.416 ( 1.283 1.688 -3.116) 3.769 12.586 ( -0.040 0.164 1.856) 1.864 12.659 ( 4.506 1.847 -1.918) 5.234 13.132 ( -2.611 0.438 3.972) 4.773 13.311 ( -2.573 -3.873 -1.299) 4.828 13.539 ( -3.097 -4.341 1.083) 5.442 13.656 ( 1.951 -6.248 -5.381) 8.473 13.924 ( -1.058 -1.867 3.252) 3.896 14.023 ( 3.533 -4.716 0.376) 5.905 14.267 ( -3.173 2.603 -0.349) 4.119 14.288 ( -1.648 1.011 1.124) 2.236 14.729 ( -3.215 -3.044 -1.332) 4.624 14.830 ( -1.648 -4.827 -2.465) 5.665 15.262 ( 4.794 1.451 3.696) 6.225 15.424 ( 9.055 -5.392 5.188) 11.746 15.540 ( 1.240 2.150 -2.022) 3.201 15.667 ( 5.512 -2.194 -1.136) 6.041 18.352 ( -3.279 26.388 12.154) 29.237 19.163 ( 7.814 14.897 -21.373) 27.199 19.931 ( -4.290 -6.943 5.368) 9.769 20.092 ( 0.389 -11.811 -1.170) 11.875 20.740 ( -7.672 1.657 5.602) 9.643 20.926 ( 1.585 -9.999 4.445) 11.057 21.215 ( 0.552 0.939 5.740) 5.843 21.371 ( -4.414 1.214 -9.468) 10.516 21.643 ( -10.945 -3.848 5.455) 12.820 22.111 ( -19.556 4.497 -2.203) 20.187 22.187 ( -16.076 -2.593 -0.117) 16.284 22.340 ( -17.768 0.420 -0.135) 17.773 22.478 ( -2.707 -10.031 -1.168) 10.456 22.590 ( -1.463 -13.954 0.743) 14.050 23.558 ( 16.185 -0.826 -5.193) 17.018 23.781 ( 20.277 -4.763 -5.409) 21.519 24.160 ( 15.369 5.040 8.886) 18.455 24.270 ( 5.689 0.635 6.169) 8.416 24.380 ( 7.997 0.112 -5.727) 9.836 24.510 ( 13.706 -4.676 -3.823) 14.978 25.598 ( -0.318 4.667 0.488) 4.704 25.636 ( 0.075 4.225 -0.732) 4.288 25.690 ( -1.231 3.501 1.822) 4.134 25.752 ( 0.732 1.583 -0.435) 1.798 26.383 ( -1.973 1.299 1.646) 2.879 26.477 ( -2.131 -0.803 -2.187) 3.158 26.783 ( -5.364 2.008 1.026) 5.818 26.843 ( -2.437 -0.634 -0.750) 2.628 ======================= Grid point 81 (39/72) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.256 4.629 -6.850) 8.569 1.683 ( -0.530 -5.844 -8.126) 10.023 1.820 ( -0.751 -10.100 3.099) 10.591 1.830 ( -5.211 -1.339 -6.855) 8.714 2.092 ( 15.065 -3.415 3.642) 15.870 2.207 ( 2.408 1.538 1.946) 3.457 2.372 ( 0.603 -3.132 -6.012) 6.806 2.600 ( 9.143 -4.729 5.776) 11.803 2.674 ( 6.675 -1.408 10.483) 12.507 2.813 ( 15.114 1.604 1.789) 15.304 2.886 ( -1.116 2.908 -6.083) 6.834 3.067 ( 5.228 -1.818 -10.454) 11.829 3.156 ( 1.396 1.099 6.809) 7.037 3.319 ( 3.020 -0.689 -1.557) 3.467 3.375 ( 2.231 -1.341 2.198) 3.407 3.397 ( 5.034 2.898 -0.065) 5.809 3.559 ( 16.497 -4.488 2.031) 17.217 3.644 ( 0.456 3.662 2.408) 4.406 3.670 ( -0.137 3.762 0.766) 3.842 3.808 ( 8.352 -7.733 1.277) 11.454 3.982 ( 2.145 -1.553 2.323) 3.523 3.988 ( -4.920 7.156 6.249) 10.699 4.024 ( 5.317 -0.857 -5.150) 7.451 4.138 ( -0.603 -1.771 2.270) 2.942 4.253 ( 2.010 -0.343 -6.379) 6.697 4.385 ( -0.955 0.060 3.398) 3.530 4.485 ( -4.347 4.712 -2.993) 7.075 4.576 ( -5.417 0.440 -1.195) 5.565 4.606 ( -1.217 -4.542 2.674) 5.409 4.736 ( 0.537 -4.056 -3.790) 5.578 4.871 ( 4.321 -3.335 -4.337) 6.971 4.972 ( -2.445 1.485 3.639) 4.629 5.044 ( 4.845 4.086 -0.369) 6.348 5.057 ( 3.382 -1.954 -8.979) 9.792 5.205 ( 2.405 -4.627 -0.008) 5.215 5.217 ( 3.911 0.906 0.520) 4.048 5.380 ( 5.934 3.192 0.086) 6.738 5.404 ( 3.367 3.183 3.303) 5.690 5.469 ( 2.604 8.669 -1.702) 9.210 5.515 ( 4.668 0.937 1.904) 5.128 5.625 ( 2.033 -1.246 0.090) 2.385 5.759 ( 0.172 1.795 -4.897) 5.218 5.878 ( 4.349 -4.369 -3.828) 7.257 5.989 ( 1.747 6.315 -0.494) 6.571 6.083 ( -0.319 -0.366 1.531) 1.606 6.133 ( -1.657 2.896 1.005) 3.485 6.205 ( -3.949 -3.478 4.178) 6.719 6.309 ( 0.406 -2.293 1.686) 2.875 6.360 ( -4.307 -4.918 6.655) 9.329 6.458 ( 2.641 0.856 -2.846) 3.975 6.591 ( 0.830 -2.474 -1.977) 3.274 6.654 ( 3.550 -0.676 3.494) 5.027 6.739 ( -1.712 -5.130 -1.085) 5.516 6.986 ( 0.465 -0.463 5.574) 5.612 7.126 ( -3.430 4.028 -1.633) 5.537 7.160 ( 3.136 1.801 -7.023) 7.900 7.334 ( -0.478 1.736 7.065) 7.291 7.352 ( -1.246 0.735 -5.549) 5.734 7.444 ( 10.062 3.632 0.421) 10.706 7.788 ( 2.913 0.840 -2.736) 4.084 7.836 ( 10.348 1.565 4.381) 11.346 7.878 ( 6.131 3.036 -4.828) 8.374 8.052 ( 3.172 2.322 5.509) 6.767 8.242 ( 11.160 -5.608 2.607) 12.759 8.388 ( 12.710 -7.166 -2.290) 14.769 8.526 ( 4.309 -3.370 0.323) 5.479 8.908 ( -0.309 3.388 2.507) 4.226 9.038 ( 2.300 3.299 -3.114) 5.086 9.527 ( -3.682 4.458 -1.567) 5.991 9.702 ( -3.840 9.044 0.592) 9.843 9.756 ( -12.130 3.686 1.517) 12.769 9.934 ( -3.166 8.221 0.893) 8.855 10.172 ( -12.355 -5.206 3.512) 13.860 10.184 ( -8.908 -0.362 -4.331) 9.912 10.399 ( -4.974 1.046 0.904) 5.162 10.474 ( -6.093 -5.568 0.309) 8.259 10.677 ( -3.814 3.022 -1.403) 5.065 10.788 ( -4.679 -0.868 2.248) 5.263 10.836 ( -8.061 -0.122 1.706) 8.240 10.997 ( -1.390 1.890 -0.672) 2.440 11.175 ( -4.993 5.031 -3.095) 7.734 11.329 ( 0.978 -1.487 2.415) 3.000 11.456 ( -1.209 -0.696 7.324) 7.456 11.952 ( 3.423 -1.362 -9.498) 10.187 12.037 ( -2.324 -0.215 0.658) 2.425 12.182 ( -0.731 4.606 -1.947) 5.054 12.316 ( 3.289 -5.116 0.792) 6.133 12.448 ( 3.858 -0.644 -1.738) 4.280 12.589 ( -1.084 -1.779 2.039) 2.915 12.692 ( 0.827 2.737 -2.938) 4.100 13.104 ( -2.867 -1.792 3.704) 5.015 13.237 ( -4.661 -1.598 1.792) 5.243 13.469 ( -4.316 -4.660 0.706) 6.391 13.657 ( 2.072 -7.606 -7.483) 10.869 13.928 ( -0.690 1.043 3.392) 3.615 14.066 ( 0.586 -5.154 -2.749) 5.870 14.143 ( -4.376 2.392 -0.951) 5.077 14.368 ( 3.169 -1.635 6.873) 7.743 14.680 ( 0.326 -2.254 -3.541) 4.210 14.743 ( -2.764 -3.615 -5.634) 7.242 15.416 ( 7.267 2.006 4.760) 8.916 15.569 ( 3.443 1.348 -2.359) 4.386 15.623 ( 7.580 -2.722 1.120) 8.132 15.739 ( 2.024 -4.301 0.316) 4.764 18.366 ( -3.094 25.670 12.327) 28.643 19.189 ( 8.211 15.775 -21.785) 28.122 19.863 ( -3.270 -10.333 0.898) 10.875 20.105 ( -2.381 -7.405 5.925) 9.778 20.637 ( -3.800 1.721 2.275) 4.752 20.956 ( -2.289 -7.785 2.300) 8.434 21.148 ( -9.535 3.450 0.898) 10.179 21.262 ( -0.523 4.665 -0.460) 4.716 21.488 ( -7.336 0.374 -0.907) 7.401 21.738 ( -17.273 1.900 -0.143) 17.378 21.876 ( -13.784 1.065 -0.541) 13.836 22.022 ( -12.754 0.999 -0.208) 12.795 22.429 ( -2.865 -19.055 3.129) 19.521 22.582 ( 0.111 -20.842 0.129) 20.842 23.788 ( 8.361 -0.506 -1.767) 8.561 24.015 ( 5.653 -5.591 -3.091) 8.531 24.464 ( 11.962 5.182 1.648) 13.140 24.513 ( 16.336 1.917 -0.962) 16.477 24.613 ( 17.368 -0.652 3.265) 17.685 24.799 ( 15.387 -6.039 -2.769) 16.760 25.587 ( -1.083 3.783 -0.093) 3.936 25.630 ( -0.376 3.989 -0.723) 4.071 25.680 ( -0.542 4.945 1.353) 5.156 25.767 ( 0.565 2.161 0.653) 2.327 26.332 ( -3.794 1.185 0.042) 3.975 26.394 ( -4.812 -0.442 -1.851) 5.174 26.689 ( -4.975 2.630 2.541) 6.175 26.776 ( -3.482 -0.594 -1.051) 3.685 ======================= Grid point 82 (40/72) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -12.694 -10.084 -8.746) 18.420 1.603 ( -5.070 -24.755 -7.083) 26.243 1.732 ( 3.557 10.136 4.899) 11.806 1.905 ( 5.156 -3.603 3.361) 7.132 2.128 ( -6.278 2.335 -3.250) 7.445 2.300 ( 3.879 -4.917 -1.209) 6.379 2.498 ( 8.702 -13.020 -1.095) 15.699 2.606 ( -2.826 -3.961 4.733) 6.788 2.722 ( -2.450 6.512 2.693) 7.461 2.968 ( 6.359 -1.590 0.568) 6.579 3.040 ( 1.590 6.676 -8.505) 10.929 3.141 ( 1.443 -4.107 4.695) 6.403 3.211 ( 3.930 4.232 5.467) 7.952 3.378 ( 4.212 -2.504 2.761) 5.624 3.497 ( 4.547 7.708 0.794) 8.984 3.588 ( 6.262 7.086 1.156) 9.527 3.654 ( 0.843 6.231 6.574) 9.097 3.724 ( 7.603 -2.450 0.906) 8.039 3.784 ( 3.128 -2.595 -0.419) 4.086 3.872 ( 7.804 -6.404 -3.939) 10.837 3.963 ( -5.001 -3.227 -5.144) 7.867 4.026 ( 3.073 3.052 -4.659) 6.361 4.190 ( 3.219 4.956 -0.156) 5.912 4.214 ( 10.949 -0.237 7.305) 13.164 4.266 ( 0.554 -0.884 -6.384) 6.468 4.340 ( -0.098 -3.375 -0.193) 3.382 4.425 ( 0.645 -0.679 -1.550) 1.811 4.513 ( 0.641 -8.814 1.637) 8.987 4.622 ( 2.437 -3.819 5.114) 6.832 4.697 ( -2.690 2.094 -2.033) 3.969 4.911 ( -3.974 1.266 2.540) 4.884 4.988 ( 7.193 -2.763 -5.240) 9.319 5.044 ( 2.592 -3.121 -6.032) 7.269 5.134 ( 2.198 4.098 -0.793) 4.717 5.218 ( -2.196 -3.685 0.374) 4.306 5.252 ( 1.922 2.900 -2.996) 4.591 5.396 ( -0.223 5.427 -3.567) 6.498 5.466 ( 1.081 4.093 2.336) 4.835 5.520 ( 1.774 4.699 -1.757) 5.321 5.606 ( -0.575 -0.318 -5.745) 5.782 5.683 ( 1.369 -0.856 4.943) 5.201 5.715 ( 0.033 4.719 3.652) 5.967 5.898 ( -0.178 -1.495 -5.199) 5.412 5.959 ( -3.313 4.140 1.239) 5.445 6.099 ( 1.965 3.670 3.384) 5.365 6.134 ( 2.929 2.181 1.117) 3.819 6.233 ( -1.537 -10.733 8.264) 13.633 6.300 ( 0.599 -1.707 2.078) 2.755 6.352 ( 1.521 -3.457 -2.374) 4.461 6.493 ( 1.773 0.831 0.435) 2.006 6.612 ( 0.337 -3.049 -2.163) 3.753 6.682 ( -1.604 -3.652 3.600) 5.373 6.774 ( 3.761 0.532 -3.650) 5.268 7.022 ( -1.138 -0.695 2.708) 3.018 7.055 ( -1.129 4.856 1.227) 5.135 7.142 ( -0.073 0.499 -6.745) 6.764 7.305 ( 0.750 0.365 -4.904) 4.975 7.389 ( 1.228 -0.539 5.749) 5.903 7.613 ( 6.462 6.463 1.429) 9.250 7.806 ( 0.430 0.955 0.108) 1.052 7.888 ( -0.910 5.722 0.178) 5.797 8.065 ( 7.785 8.972 -0.625) 11.895 8.207 ( 9.587 2.840 4.261) 10.869 8.454 ( 8.424 -1.926 2.015) 8.873 8.566 ( 4.990 -7.026 0.084) 8.618 8.645 ( 6.383 -4.505 -0.486) 7.828 8.903 ( 1.638 -4.671 -2.909) 5.742 9.073 ( 1.707 -0.132 -0.508) 1.786 9.452 ( -4.931 -0.171 -0.093) 4.935 9.525 ( -9.688 -0.065 1.021) 9.742 9.649 ( -1.875 7.296 2.627) 7.978 9.826 ( -7.640 5.202 -1.065) 9.304 9.946 ( -11.917 -2.027 0.639) 12.105 9.994 ( -6.397 -1.601 -5.339) 8.485 10.301 ( -3.609 3.955 1.702) 5.618 10.410 ( -1.560 -0.347 1.083) 1.930 10.573 ( -6.875 3.273 -0.316) 7.621 10.660 ( -6.897 0.271 -2.515) 7.346 10.727 ( -2.740 -1.637 2.538) 4.077 11.011 ( -2.012 0.762 -2.890) 3.603 11.078 ( 0.104 6.831 3.549) 7.699 11.342 ( -0.939 -1.851 1.110) 2.354 11.484 ( -1.172 -0.675 8.796) 8.899 11.945 ( 0.857 -4.766 -5.187) 7.096 12.016 ( -0.255 2.714 -0.486) 2.769 12.179 ( 3.089 6.913 -7.444) 10.618 12.377 ( 1.677 -5.011 3.162) 6.158 12.527 ( 4.069 -4.337 -1.677) 6.179 12.573 ( -1.279 -0.277 2.712) 3.011 12.677 ( -0.562 2.935 -1.837) 3.508 13.070 ( -2.215 -3.547 3.129) 5.223 13.176 ( -3.589 1.703 5.193) 6.538 13.393 ( -3.393 -4.876 -0.284) 5.947 13.646 ( 1.991 -8.423 -8.671) 12.252 13.938 ( -0.151 3.759 2.463) 4.497 14.017 ( -2.435 0.253 -1.953) 3.131 14.108 ( 0.112 -5.933 -0.345) 5.944 14.432 ( -1.590 -5.776 2.397) 6.452 14.654 ( 1.937 0.825 -3.546) 4.124 14.750 ( 3.392 -2.249 -1.066) 4.207 15.544 ( 2.726 2.316 1.793) 4.001 15.648 ( 5.631 0.976 -0.727) 5.761 15.698 ( 1.521 -0.754 -4.514) 4.823 15.773 ( 0.342 -4.960 4.769) 6.890 18.378 ( -3.440 25.388 12.399) 28.463 19.210 ( 7.757 16.765 -22.442) 29.067 19.839 ( 0.253 -12.513 1.654) 12.624 20.053 ( -6.206 -3.907 6.633) 9.888 20.644 ( 2.692 0.201 0.983) 2.873 20.833 ( -7.168 -3.153 -1.358) 7.948 21.076 ( -2.593 4.622 5.715) 7.794 21.186 ( -7.611 6.875 -1.151) 10.321 21.365 ( -1.889 -0.599 -1.950) 2.780 21.458 ( -10.617 1.051 -1.040) 10.720 21.723 ( -2.366 -0.121 -0.649) 2.456 21.846 ( -5.810 0.310 -1.017) 5.907 22.405 ( -2.437 -22.927 5.706) 23.751 22.587 ( 0.348 -22.904 -0.157) 22.907 23.873 ( 1.917 -0.715 0.452) 2.095 24.039 ( 0.529 -5.231 -3.098) 6.103 24.695 ( 10.256 6.246 0.253) 12.011 24.797 ( 12.155 2.275 -1.399) 12.445 24.924 ( 11.314 -3.648 1.937) 12.044 25.024 ( 8.495 -4.889 -0.893) 9.842 25.555 ( -1.909 4.334 -0.390) 4.752 25.607 ( -1.306 3.433 -1.585) 4.000 25.693 ( 1.212 5.313 1.386) 5.623 25.779 ( -0.194 3.165 1.556) 3.532 26.248 ( -3.813 1.238 -1.115) 4.161 26.298 ( -3.985 -0.191 -0.222) 3.996 26.625 ( -3.223 2.178 2.345) 4.542 26.711 ( -2.160 -0.676 -1.550) 2.743 ======================= Grid point 83 (41/72) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 11.511 -12.525 2.630) 17.213 1.473 ( -0.075 -22.912 -15.665) 27.755 1.864 ( 3.711 3.384 6.376) 8.117 1.983 ( -2.716 -2.808 2.079) 4.425 2.076 ( 3.599 0.990 6.438) 7.442 2.334 ( 2.269 -5.759 -2.632) 6.726 2.403 ( -8.497 -5.094 -4.493) 10.878 2.627 ( -4.409 -2.301 3.548) 6.109 2.812 ( 8.255 -5.105 2.783) 10.097 2.980 ( -0.013 5.865 -8.734) 10.521 3.082 ( 2.383 -2.386 5.724) 6.643 3.175 ( 0.149 1.943 6.881) 7.151 3.241 ( -2.707 10.058 5.837) 11.940 3.414 ( -0.395 -2.723 -2.763) 3.899 3.525 ( -6.894 15.814 6.434) 18.412 3.593 ( -0.125 0.481 -0.455) 0.673 3.623 ( -6.645 -2.204 -4.871) 8.529 3.777 ( -2.043 -2.746 -4.942) 6.012 3.826 ( -2.509 -4.053 -0.146) 4.769 3.920 ( 4.611 -1.271 -5.923) 7.613 4.015 ( -0.016 1.647 -3.351) 3.734 4.072 ( 8.279 1.347 4.591) 9.562 4.154 ( 0.119 -2.054 4.405) 4.862 4.255 ( 3.617 5.394 -5.695) 8.638 4.327 ( -4.427 -3.391 -4.016) 6.872 4.397 ( 0.592 -2.524 7.115) 7.572 4.490 ( -3.773 -7.414 -2.824) 8.785 4.522 ( 5.725 -9.171 -0.237) 10.814 4.695 ( 2.435 2.852 2.326) 4.412 4.735 ( 5.455 1.862 3.221) 6.603 4.872 ( -2.905 -1.329 3.241) 4.551 5.034 ( -1.685 -1.009 -4.483) 4.894 5.056 ( 0.217 -4.363 -2.346) 4.958 5.116 ( -0.581 1.699 -2.834) 3.355 5.176 ( -0.939 -1.440 0.424) 1.771 5.265 ( -0.409 8.722 -5.314) 10.222 5.316 ( -3.451 1.186 -4.064) 5.462 5.443 ( -0.922 1.978 -6.838) 7.178 5.529 ( 2.017 2.598 1.699) 3.702 5.565 ( 0.314 2.877 4.591) 5.427 5.725 ( 0.222 2.169 -0.782) 2.316 5.772 ( 1.205 3.266 4.719) 5.864 5.866 ( 0.344 0.347 -2.868) 2.909 5.937 ( 0.271 0.565 0.146) 0.643 6.079 ( -3.628 6.528 1.190) 7.562 6.213 ( -3.637 -7.966 6.108) 10.677 6.236 ( 2.920 6.290 2.134) 7.256 6.365 ( 1.511 -5.405 5.701) 8.000 6.412 ( 5.919 -2.771 -1.568) 6.721 6.518 ( -0.913 -2.061 1.763) 2.862 6.585 ( -0.120 -5.431 -0.916) 5.509 6.676 ( -1.934 -0.920 -2.492) 3.286 6.748 ( -2.330 0.040 0.055) 2.331 6.991 ( -1.423 2.494 -1.266) 3.138 7.025 ( -0.445 1.237 -8.736) 8.835 7.123 ( -0.538 -0.452 0.523) 0.876 7.356 ( 4.449 -1.414 1.182) 4.815 7.430 ( 0.316 -0.711 3.530) 3.615 7.704 ( 1.718 4.729 1.563) 5.269 7.790 ( -2.413 1.171 1.852) 3.260 7.889 ( 0.299 8.617 1.983) 8.847 8.119 ( -0.675 11.540 -3.841) 12.181 8.344 ( -1.458 1.424 3.832) 4.340 8.551 ( -2.742 -3.726 3.482) 5.791 8.606 ( -2.381 -3.001 1.656) 4.173 8.654 ( 1.037 7.512 -5.803) 9.549 8.976 ( 3.652 -16.231 1.796) 16.734 9.093 ( 1.662 -1.490 -2.050) 3.031 9.383 ( 2.510 -0.872 0.175) 2.663 9.435 ( -2.734 -3.116 -0.117) 4.147 9.636 ( -3.596 5.061 2.198) 6.586 9.727 ( 3.202 4.852 -2.649) 6.389 9.787 ( -2.498 -1.726 0.359) 3.057 9.929 ( 3.029 -0.821 -4.017) 5.098 10.291 ( 0.611 4.507 2.795) 5.338 10.430 ( 1.606 3.937 1.706) 4.581 10.437 ( -3.273 -0.264 -1.545) 3.629 10.582 ( 0.027 0.839 -3.101) 3.213 10.725 ( -0.438 0.564 3.922) 3.987 10.909 ( -2.044 4.000 -5.115) 6.808 11.183 ( 4.293 2.569 6.280) 8.029 11.308 ( -2.389 -1.994 -0.714) 3.192 11.504 ( -2.594 -0.313 9.235) 9.598 11.930 ( 0.544 -4.117 -3.842) 5.657 12.018 ( 0.590 3.103 0.186) 3.164 12.197 ( 4.418 7.369 -11.245) 14.152 12.414 ( -0.263 -5.368 4.053) 6.731 12.517 ( -2.914 -6.028 1.531) 6.868 12.610 ( 0.378 2.618 0.793) 2.762 12.669 ( 2.490 -0.292 -2.115) 3.280 13.079 ( 0.743 -3.560 4.454) 5.750 13.159 ( -1.838 2.502 6.824) 7.497 13.343 ( -1.098 -5.000 -1.439) 5.318 13.635 ( 2.506 -8.538 -9.513) 13.026 13.947 ( -0.493 1.587 0.658) 1.788 13.976 ( -0.162 3.044 -0.848) 3.164 14.135 ( 1.990 -6.786 2.845) 7.622 14.344 ( -5.010 -5.058 -4.639) 8.497 14.722 ( 3.622 0.169 1.495) 3.922 14.784 ( 0.108 -1.601 -0.909) 1.845 15.554 ( -1.931 0.851 -0.043) 2.110 15.638 ( -2.287 -1.062 -3.499) 4.313 15.776 ( -1.557 -1.504 2.295) 3.154 15.782 ( 3.958 -0.578 1.691) 4.343 18.382 ( -3.950 25.695 12.402) 28.803 19.215 ( 6.920 17.089 -22.804) 29.325 19.882 ( 0.751 -14.907 4.433) 15.571 19.989 ( -1.888 -1.927 4.150) 4.950 20.689 ( -2.820 -1.209 1.108) 3.262 20.736 ( 0.641 -2.309 -1.321) 2.736 21.011 ( -5.064 8.019 4.595) 10.538 21.145 ( 4.572 6.491 -0.432) 7.951 21.316 ( -1.832 -1.742 -0.029) 2.528 21.384 ( 3.073 1.325 -3.370) 4.749 21.717 ( 0.401 -2.617 0.304) 2.665 21.776 ( 0.047 2.377 -2.112) 3.180 22.401 ( -1.934 -23.990 6.486) 24.926 22.592 ( 0.227 -23.392 -0.197) 23.394 23.897 ( 0.518 -0.878 1.163) 1.547 24.030 ( 0.783 -4.939 -3.429) 6.063 24.815 ( 0.549 5.289 1.488) 5.522 24.911 ( 0.010 2.657 -2.231) 3.469 25.041 ( -1.108 -3.343 1.354) 3.773 25.101 ( 0.574 -4.930 -0.991) 5.061 25.531 ( 0.342 4.942 -0.255) 4.961 25.577 ( 0.131 4.188 -2.447) 4.852 25.732 ( -0.119 4.815 2.388) 5.376 25.768 ( -0.579 2.434 0.741) 2.609 26.216 ( 1.400 1.212 0.359) 1.886 26.244 ( -1.224 0.379 -0.728) 1.473 26.594 ( -1.154 2.066 1.801) 2.974 26.686 ( 0.793 -0.848 -1.652) 2.020 ======================= Grid point 84 (42/72) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 19.448 -14.056 0.504) 24.001 1.456 ( 9.355 -18.868 -16.754) 26.911 1.820 ( -7.515 -0.320 0.564) 7.543 2.019 ( -0.764 -4.381 4.738) 6.498 2.110 ( -3.474 2.468 -2.540) 4.961 2.291 ( -1.244 3.375 7.862) 8.646 2.392 ( 4.838 -2.138 3.069) 6.116 2.531 ( -4.906 0.688 -1.970) 5.331 2.895 ( -4.153 -1.747 -4.974) 6.711 2.952 ( 4.147 0.138 1.334) 4.359 3.137 ( -8.292 1.289 -3.095) 8.945 3.182 ( 0.409 -3.254 9.536) 10.084 3.227 ( -4.143 5.602 6.588) 9.589 3.308 ( -10.837 -1.238 -2.989) 11.310 3.394 ( -6.838 0.715 -0.591) 6.901 3.467 ( -1.263 4.637 3.231) 5.791 3.522 ( -3.754 1.498 0.272) 4.051 3.691 ( -3.920 -0.047 2.279) 4.534 3.820 ( 2.656 -3.395 -7.309) 8.485 3.927 ( -7.445 -6.020 -2.012) 9.784 3.962 ( -3.202 -0.705 -3.106) 4.517 4.016 ( -10.950 4.889 1.552) 12.092 4.101 ( -7.003 0.290 -3.452) 7.813 4.270 ( 1.890 1.928 2.052) 3.391 4.366 ( 3.173 -2.842 5.950) 7.317 4.399 ( -2.062 -2.251 5.490) 6.281 4.460 ( 3.076 -2.570 -1.205) 4.185 4.599 ( 1.934 -6.189 -5.135) 8.271 4.679 ( -1.966 -0.707 0.809) 2.240 4.755 ( -7.048 -4.774 4.115) 9.455 4.846 ( -0.852 1.934 -5.068) 5.491 4.902 ( -2.977 -0.397 -6.525) 7.184 5.034 ( -0.792 6.604 -3.808) 7.664 5.080 ( -0.593 1.627 2.849) 3.334 5.199 ( 2.615 -3.885 -1.471) 4.908 5.228 ( 0.184 3.720 -1.325) 3.953 5.295 ( 0.511 -1.526 -5.359) 5.595 5.377 ( -2.893 4.340 -3.398) 6.225 5.555 ( -1.225 2.150 3.133) 3.992 5.639 ( -0.195 4.585 7.091) 8.446 5.688 ( -0.475 0.614 -5.211) 5.269 5.786 ( 0.243 3.933 1.342) 4.163 5.908 ( 1.186 0.786 -0.370) 1.470 5.960 ( 1.641 0.153 0.007) 1.649 6.019 ( -0.990 4.450 1.023) 4.672 6.184 ( -1.281 -1.297 0.604) 1.920 6.278 ( -0.841 2.600 3.012) 4.067 6.347 ( -7.081 0.276 1.166) 7.181 6.434 ( -4.157 -1.932 3.565) 5.807 6.518 ( 1.515 -7.499 0.177) 7.653 6.604 ( 1.288 -2.005 -2.469) 3.431 6.625 ( 2.440 -7.359 1.168) 7.840 6.756 ( -0.673 -1.399 6.816) 6.990 6.922 ( -1.220 1.896 -7.513) 7.844 7.013 ( 1.498 4.405 -2.762) 5.411 7.130 ( 1.612 -1.424 -0.024) 2.151 7.371 ( -2.663 -1.723 -2.885) 4.287 7.471 ( 0.242 0.604 4.421) 4.468 7.693 ( -2.843 2.554 0.017) 3.821 7.751 ( -2.652 1.183 0.230) 2.913 7.877 ( -5.333 7.322 1.147) 9.131 8.021 ( -4.915 9.833 -2.073) 11.187 8.214 ( -11.174 0.583 7.517) 13.480 8.396 ( -9.615 -1.683 -1.295) 9.847 8.559 ( -4.860 -4.673 0.625) 6.771 8.638 ( -1.549 9.759 -2.247) 10.133 8.945 ( -7.062 -13.783 0.187) 15.488 9.123 ( 1.681 -3.662 -0.689) 4.087 9.473 ( 7.558 -0.274 -0.415) 7.575 9.530 ( 8.436 -0.098 1.629) 8.592 9.636 ( 3.789 7.782 1.429) 8.773 9.800 ( 6.731 2.067 -1.030) 7.116 9.867 ( 5.978 3.795 -1.454) 7.228 10.050 ( 10.775 -1.983 -3.448) 11.486 10.344 ( 3.811 -0.305 2.160) 4.391 10.423 ( 2.555 -1.451 2.886) 4.118 10.525 ( 5.854 1.503 -3.173) 6.827 10.632 ( 7.070 3.763 -0.979) 8.069 10.712 ( -1.651 2.736 2.064) 3.804 10.938 ( 5.930 2.296 -0.365) 6.369 11.234 ( -2.719 -1.849 -1.171) 3.491 11.301 ( 2.870 0.925 2.936) 4.209 11.496 ( -3.732 0.760 9.175) 9.934 11.920 ( 1.065 -2.734 -4.575) 5.435 12.036 ( 0.953 3.489 0.109) 3.619 12.216 ( 4.937 7.463 -11.407) 14.498 12.406 ( -3.241 -4.625 3.626) 6.711 12.468 ( -3.038 -6.942 2.539) 7.992 12.592 ( -1.831 -1.161 1.513) 2.644 12.727 ( 3.807 -0.258 -3.191) 4.974 13.126 ( -0.074 -1.653 7.003) 7.195 13.204 ( 2.798 -0.931 4.973) 5.782 13.339 ( 1.955 -4.560 -1.989) 5.345 13.624 ( 2.562 -8.219 -10.282) 13.411 13.928 ( -1.366 1.089 1.868) 2.558 14.000 ( 2.361 1.966 -1.934) 3.630 14.216 ( -4.463 -2.609 -5.484) 7.537 14.222 ( 3.838 -4.823 6.894) 9.248 14.731 ( -3.188 -0.950 -2.348) 4.071 14.775 ( 0.221 -2.103 -1.276) 2.470 15.480 ( -5.466 0.295 1.397) 5.649 15.563 ( -4.533 -2.283 -0.488) 5.099 15.711 ( -4.430 2.045 -0.655) 4.923 15.848 ( 0.724 -1.820 1.425) 2.423 18.377 ( -4.308 26.371 12.434) 29.472 19.204 ( 6.210 16.741 -22.495) 28.720 19.865 ( -3.430 -8.483 3.925) 9.956 20.086 ( 7.373 -10.994 4.047) 13.842 20.594 ( -4.704 1.382 1.559) 5.145 20.791 ( 2.417 -2.974 -1.518) 4.122 20.985 ( 0.736 4.396 2.934) 5.336 21.285 ( 5.787 4.704 2.053) 7.735 21.405 ( 13.877 3.053 -1.519) 14.290 21.455 ( 5.498 -0.136 -1.950) 5.835 21.735 ( 3.348 -1.213 -0.614) 3.614 21.828 ( 5.372 3.394 -1.098) 6.448 22.407 ( -1.258 -23.263 5.634) 23.969 22.594 ( 0.128 -22.955 -0.027) 22.956 23.913 ( 0.190 -1.471 1.173) 1.891 24.026 ( 0.827 -4.604 -3.892) 6.085 24.703 ( -12.937 4.109 0.464) 13.582 24.791 ( -9.715 3.956 -1.809) 10.644 24.896 ( -13.340 -1.597 1.809) 13.557 25.053 ( -5.702 -7.573 -0.543) 9.496 25.560 ( 2.266 4.290 -0.903) 4.935 25.592 ( 2.192 4.533 -0.854) 5.107 25.683 ( -3.661 4.707 1.282) 6.100 25.801 ( 1.178 1.253 1.552) 2.316 26.239 ( 1.439 1.332 -1.377) 2.396 26.293 ( 5.423 0.570 -0.075) 5.454 26.610 ( 1.767 2.830 1.969) 3.874 26.721 ( 3.532 -0.655 -1.148) 3.771 ======================= Grid point 85 (43/72) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -4.611 3.939 -6.083) 8.590 1.541 ( 3.910 -10.202 -8.913) 14.100 1.725 ( -3.051 -7.345 -3.035) 8.512 1.922 ( -0.144 -10.341 -2.543) 10.650 2.059 ( -4.815 -1.036 2.835) 5.683 2.332 ( -6.284 6.944 11.507) 14.837 2.399 ( -6.511 1.542 -2.347) 7.090 2.583 ( 7.819 3.393 5.049) 9.907 2.614 ( -19.278 1.346 1.329) 19.371 2.883 ( -11.158 -2.743 -6.388) 13.147 3.004 ( 0.774 -1.206 -9.252) 9.363 3.086 ( -1.857 -1.259 1.746) 2.843 3.127 ( -9.567 -1.338 0.015) 9.660 3.246 ( 1.227 4.709 4.882) 6.893 3.316 ( -4.558 -3.304 -0.858) 5.695 3.497 ( -0.344 3.765 3.927) 5.452 3.505 ( -6.913 -8.818 -1.977) 11.377 3.588 ( -1.975 -3.071 4.646) 5.909 3.669 ( -4.675 -0.561 3.528) 5.884 3.841 ( -2.062 3.350 2.211) 4.512 3.869 ( -8.219 0.357 -5.556) 9.928 3.933 ( 1.236 -11.443 -1.115) 11.563 4.002 ( 1.582 3.964 3.578) 5.569 4.277 ( -9.945 -3.711 5.866) 12.128 4.301 ( -1.180 4.641 2.123) 5.238 4.474 ( -2.863 1.323 0.414) 3.181 4.502 ( 1.971 2.363 0.003) 3.077 4.539 ( -2.434 -5.723 -0.277) 6.226 4.639 ( 7.577 1.173 -11.059) 13.457 4.713 ( -5.196 -2.183 -4.217) 7.039 4.781 ( 1.613 0.857 0.543) 1.905 4.856 ( 1.257 4.205 -5.101) 6.729 5.052 ( -0.021 3.064 1.374) 3.358 5.088 ( -0.513 -0.873 2.556) 2.750 5.136 ( -4.004 0.193 -1.849) 4.414 5.225 ( -5.747 4.021 -1.091) 7.098 5.302 ( 3.012 -1.550 1.997) 3.932 5.335 ( 1.780 0.536 -4.197) 4.591 5.499 ( -4.336 4.945 -0.145) 6.579 5.591 ( -4.499 -1.174 3.929) 6.087 5.688 ( -1.109 1.934 -0.542) 2.294 5.790 ( -5.093 -0.456 -5.402) 7.438 5.852 ( 0.017 4.083 3.238) 5.212 5.975 ( 0.311 -0.302 -2.322) 2.362 6.058 ( 0.665 -0.712 0.508) 1.098 6.122 ( -5.883 -0.301 2.094) 6.252 6.199 ( -1.424 4.486 -2.199) 5.195 6.252 ( -2.114 -0.046 -2.221) 3.066 6.455 ( -0.055 -9.169 9.989) 13.559 6.535 ( -0.822 -1.470 2.685) 3.169 6.625 ( 0.329 -8.985 -1.045) 9.051 6.688 ( 3.288 1.577 0.628) 3.701 6.789 ( 0.306 -1.639 7.001) 7.196 6.882 ( 1.791 0.008 -7.073) 7.296 7.031 ( 1.048 5.044 0.377) 5.166 7.163 ( -1.533 1.232 -2.030) 2.827 7.259 ( -3.026 -0.479 -3.240) 4.459 7.458 ( -3.516 0.363 2.504) 4.332 7.594 ( -7.593 1.251 0.348) 7.703 7.695 ( -1.143 3.018 -6.044) 6.852 7.723 ( -7.674 -0.815 4.087) 8.732 7.938 ( -4.707 4.928 -1.081) 6.900 8.066 ( -9.131 -3.188 3.143) 10.170 8.233 ( -5.882 2.919 4.017) 7.697 8.430 ( -8.382 -6.097 -0.900) 10.404 8.594 ( -0.846 13.731 -1.781) 13.872 8.783 ( -9.097 -12.584 1.139) 15.570 9.130 ( -0.640 0.074 -0.591) 0.874 9.592 ( 3.389 4.161 -1.557) 5.588 9.681 ( 7.903 2.723 0.006) 8.359 9.770 ( 6.393 10.965 1.674) 12.802 9.936 ( 4.565 7.703 1.095) 9.021 9.993 ( 9.981 -3.694 -0.669) 10.663 10.247 ( 10.123 -2.769 -0.149) 10.496 10.481 ( 7.809 -4.304 1.499) 9.041 10.507 ( 4.081 -3.124 -0.179) 5.143 10.607 ( 5.453 2.330 -1.828) 6.205 10.746 ( 4.093 2.010 2.307) 5.111 10.814 ( 9.488 2.179 1.082) 9.794 11.061 ( 4.840 1.779 0.203) 5.161 11.173 ( -0.937 -1.271 -2.758) 3.178 11.349 ( 0.595 -1.033 1.143) 1.652 11.486 ( -2.803 2.964 8.913) 9.802 11.910 ( 1.503 -0.349 -7.644) 7.798 12.060 ( 2.169 2.790 -0.536) 3.575 12.254 ( 4.650 6.138 -7.603) 10.822 12.339 ( -4.841 -4.356 2.100) 6.843 12.431 ( -2.883 -8.493 2.632) 9.347 12.563 ( -2.246 -2.260 1.797) 3.658 12.749 ( 0.273 -0.480 -4.545) 4.578 13.163 ( -0.911 -0.508 7.816) 7.885 13.288 ( 3.532 -5.830 -0.256) 6.821 13.401 ( 5.049 -2.668 -0.399) 5.725 13.613 ( 2.580 -6.880 -8.913) 11.551 13.926 ( -0.955 0.760 4.245) 4.417 14.026 ( 0.591 -0.854 -0.273) 1.074 14.116 ( -1.278 0.550 -5.150) 5.334 14.377 ( 6.741 -2.608 9.262) 11.749 14.643 ( -2.885 -1.371 -5.249) 6.145 14.723 ( -3.139 -2.756 -5.506) 6.912 15.383 ( -6.063 0.912 4.041) 7.343 15.455 ( -6.852 -1.370 2.882) 7.559 15.614 ( -4.448 3.629 -2.628) 6.314 15.820 ( -4.106 -2.825 0.406) 5.001 18.367 ( -4.470 27.015 12.392) 30.056 19.184 ( 5.685 15.990 -21.912) 27.715 19.837 ( -1.324 -6.739 2.865) 7.442 20.252 ( 5.198 -16.972 4.210) 18.243 20.558 ( 0.567 2.057 2.103) 2.996 20.805 ( 0.828 0.090 0.760) 1.127 21.052 ( 2.952 -0.743 2.071) 3.681 21.405 ( 6.415 0.089 -1.019) 6.496 21.546 ( 5.175 4.553 0.265) 6.898 21.771 ( 22.347 3.626 -0.097) 22.639 21.903 ( 14.237 -0.217 -1.233) 14.292 21.960 ( 9.495 4.097 0.165) 10.342 22.424 ( 0.586 -19.981 2.915) 20.201 22.598 ( 0.161 -20.923 0.447) 20.928 23.883 ( -5.087 -2.819 -1.837) 6.099 24.004 ( -0.891 -3.907 -3.594) 5.383 24.374 ( -19.624 4.699 1.101) 20.208 24.522 ( -17.959 2.459 1.063) 18.158 24.630 ( -12.830 -0.494 1.417) 12.918 24.856 ( -13.995 -9.653 -2.063) 17.126 25.590 ( 1.353 4.885 -1.187) 5.206 25.630 ( 1.230 2.601 -0.367) 2.901 25.641 ( -1.048 5.379 2.154) 5.888 25.811 ( -0.795 0.818 0.734) 1.356 26.278 ( 3.045 2.034 -0.484) 3.694 26.396 ( 5.188 -0.640 -1.341) 5.396 26.686 ( 4.590 3.474 2.186) 6.157 26.796 ( 4.449 -0.262 -0.754) 4.520 ======================= Grid point 86 (44/72) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -15.095 19.120 -5.297) 24.930 1.306 ( -21.177 10.514 3.405) 23.888 1.675 ( 3.928 -5.259 -12.406) 14.035 1.909 ( -11.220 -2.486 -1.282) 11.564 2.018 ( -19.116 9.555 21.701) 30.457 2.073 ( 10.801 -14.144 -1.461) 17.856 2.328 ( -12.543 -6.749 -0.640) 14.258 2.417 ( 1.013 -2.523 -5.052) 5.737 2.641 ( -3.282 -2.251 -5.277) 6.610 2.707 ( -1.447 -5.010 -3.165) 6.100 2.803 ( -7.926 -1.364 -1.232) 8.136 3.049 ( 6.430 3.659 -9.946) 12.395 3.150 ( -10.197 -4.172 0.377) 11.024 3.216 ( 4.351 -7.086 -2.011) 8.555 3.325 ( 0.778 -0.011 4.545) 4.611 3.419 ( -1.780 -3.838 0.449) 4.254 3.501 ( -0.301 -1.458 4.799) 5.025 3.587 ( -1.052 5.936 1.062) 6.122 3.620 ( -2.174 4.805 1.529) 5.492 3.741 ( 0.353 -9.093 4.211) 10.027 3.889 ( 4.866 -6.446 -2.688) 8.512 3.991 ( -1.229 3.700 4.423) 5.896 4.076 ( -1.237 -1.605 -1.176) 2.343 4.148 ( 3.539 1.315 0.777) 3.855 4.305 ( -0.722 2.885 3.374) 4.498 4.377 ( -6.804 -5.136 -1.121) 8.598 4.425 ( -0.763 5.260 0.306) 5.324 4.590 ( 0.800 2.370 -2.892) 3.824 4.620 ( -1.824 -0.238 1.530) 2.392 4.712 ( -2.374 8.103 -1.246) 8.535 4.804 ( 5.660 1.055 -1.145) 5.870 4.902 ( 3.521 -1.906 -1.972) 4.463 5.006 ( -3.379 2.706 -2.141) 4.830 5.026 ( -2.957 1.961 -1.761) 3.961 5.112 ( -3.473 8.275 3.305) 9.564 5.154 ( 1.955 -1.332 1.417) 2.757 5.257 ( -8.390 -1.358 1.239) 8.589 5.338 ( -0.907 1.090 2.028) 2.474 5.488 ( -1.536 -1.058 -0.336) 1.896 5.551 ( -5.407 0.798 -2.153) 5.874 5.572 ( 2.740 -0.437 -2.461) 3.709 5.689 ( -0.990 -1.059 -6.931) 7.081 5.870 ( -1.920 -1.823 0.902) 2.797 5.932 ( -2.877 -2.469 -0.505) 3.824 6.016 ( 0.123 0.793 0.747) 1.096 6.159 ( 0.622 1.884 -0.416) 2.027 6.165 ( 0.924 -0.663 1.157) 1.622 6.240 ( 1.328 -0.460 0.385) 1.457 6.467 ( -2.513 -9.364 4.879) 10.854 6.538 ( -0.966 1.955 4.523) 5.021 6.597 ( -1.917 -8.770 -1.918) 9.179 6.726 ( -1.204 2.499 4.891) 5.623 6.859 ( 3.178 -1.831 -2.750) 4.584 6.913 ( 5.016 0.253 -2.308) 5.527 7.003 ( -8.032 1.631 0.265) 8.200 7.057 ( 1.149 1.770 0.552) 2.181 7.290 ( 1.643 -0.222 0.444) 1.716 7.360 ( -6.078 -3.652 -2.159) 7.412 7.484 ( -3.379 3.352 2.796) 5.520 7.588 ( -4.257 -0.866 -2.984) 5.270 7.698 ( 2.018 0.779 -3.089) 3.771 7.842 ( -5.240 -2.776 3.139) 6.709 7.919 ( -3.933 0.895 -4.846) 6.305 8.132 ( -13.689 -3.744 -1.937) 14.323 8.244 ( -5.637 -1.551 5.565) 8.072 8.575 ( -1.393 5.490 -8.017) 9.816 8.668 ( -2.782 4.049 11.071) 12.112 9.099 ( -1.639 5.667 -1.390) 6.061 9.637 ( 3.360 8.249 -2.846) 9.351 9.759 ( 0.686 9.096 -1.763) 9.291 9.890 ( 4.016 8.915 3.155) 10.274 10.026 ( 4.427 5.442 -0.290) 7.021 10.180 ( 7.560 -6.495 4.363) 10.880 10.407 ( 4.093 -4.283 3.386) 6.824 10.564 ( 3.443 -2.901 -2.505) 5.152 10.599 ( 2.947 -2.464 0.185) 3.846 10.746 ( 8.756 -1.183 -1.129) 8.907 10.834 ( 2.681 1.567 1.267) 3.354 10.956 ( 3.001 -0.366 1.996) 3.623 11.065 ( -0.600 0.900 -3.433) 3.599 11.207 ( 2.970 -0.031 -0.747) 3.062 11.369 ( 1.514 -1.706 0.487) 2.332 11.484 ( -2.737 3.707 6.744) 8.168 11.890 ( 2.329 2.387 -10.170) 10.703 12.122 ( 4.241 -0.636 -0.517) 4.319 12.252 ( -3.673 -2.842 1.813) 4.986 12.292 ( -0.214 -1.439 -1.855) 2.357 12.375 ( -1.879 -3.373 -3.134) 4.972 12.540 ( -0.812 0.124 2.720) 2.841 12.679 ( -4.352 2.530 -2.726) 5.725 13.174 ( -2.235 0.944 6.052) 6.520 13.332 ( 2.563 -5.951 -4.238) 7.742 13.500 ( 4.426 -3.137 0.508) 5.448 13.626 ( 2.977 -5.593 -4.916) 8.020 13.932 ( -1.240 -2.489 4.539) 5.324 13.990 ( -2.932 -3.671 0.374) 4.713 14.156 ( 4.967 5.635 0.411) 7.523 14.536 ( -3.037 -4.221 -2.735) 5.876 14.579 ( 6.586 0.464 3.117) 7.302 14.667 ( 2.224 -3.359 -1.900) 4.455 15.291 ( -5.921 2.058 3.916) 7.391 15.369 ( -4.449 -0.224 4.773) 6.529 15.520 ( -2.422 3.278 -3.396) 5.305 15.709 ( -6.641 -2.835 -0.400) 7.232 18.355 ( -4.381 27.303 12.226) 30.235 19.162 ( 5.706 15.067 -21.455) 26.830 19.855 ( 1.086 -5.851 3.981) 7.160 20.271 ( -3.650 -16.274 -0.666) 16.692 20.657 ( 5.866 -2.104 5.168) 8.096 20.854 ( 1.493 -1.816 5.981) 6.426 21.103 ( 1.643 -0.955 1.128) 2.211 21.467 ( 2.176 -4.724 -5.077) 7.268 21.706 ( 7.287 3.599 6.395) 10.341 22.114 ( 12.286 0.480 -2.363) 12.520 22.229 ( 22.711 2.120 -3.392) 23.060 22.272 ( 17.475 0.819 2.217) 17.634 22.482 ( 5.138 -11.054 -0.869) 12.221 22.606 ( 0.168 -14.876 0.844) 14.901 23.652 ( -14.738 -1.520 -6.273) 16.089 23.834 ( -16.288 -6.601 -8.413) 19.485 24.102 ( -9.201 4.727 6.242) 12.082 24.181 ( -16.631 1.797 9.323) 19.150 24.456 ( -5.870 -2.077 -2.221) 6.611 24.524 ( -14.809 -5.227 -4.464) 16.326 25.597 ( -0.009 5.528 -0.002) 5.528 25.633 ( 0.515 3.759 -0.388) 3.814 25.665 ( 0.887 2.827 1.611) 3.372 25.787 ( -1.660 1.288 -0.137) 2.105 26.340 ( 2.695 1.986 1.464) 3.654 26.469 ( 3.321 -1.042 -1.721) 3.883 26.791 ( 4.552 1.974 0.816) 5.028 26.866 ( 2.762 -0.381 -0.738) 2.884 ======================= Grid point 87 (45/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 2.097 18.266 5.358) 19.151 1.494 ( -0.136 15.560 -4.143) 16.102 1.687 ( -4.072 -2.131 -3.916) 6.038 1.721 ( 2.270 7.768 -8.908) 12.035 1.934 ( -7.756 -13.709 -3.222) 16.077 1.956 ( 3.490 -11.971 -2.798) 12.779 2.110 ( 4.459 -1.907 7.531) 8.957 2.135 ( 5.453 -5.048 0.833) 7.477 2.561 ( -4.081 1.684 -4.018) 5.969 2.642 ( 0.217 -6.216 -4.038) 7.416 2.735 ( 4.383 2.439 -2.959) 5.824 2.834 ( 1.829 -6.051 -5.120) 8.135 3.143 ( -2.196 -1.664 1.907) 3.351 3.189 ( -6.305 -5.738 7.145) 11.123 3.284 ( 5.969 5.781 -8.185) 11.664 3.384 ( 2.959 -3.777 -2.353) 5.344 3.447 ( -2.851 4.731 1.953) 5.858 3.572 ( -3.226 -6.689 1.157) 7.516 3.728 ( -5.759 9.029 4.678) 11.686 3.817 ( 5.091 6.803 -3.960) 9.374 3.887 ( 4.995 -5.328 -6.664) 9.886 3.979 ( 1.653 -4.464 2.896) 5.572 4.087 ( -3.994 3.406 4.815) 7.123 4.175 ( -4.979 -4.986 5.634) 9.022 4.325 ( -1.300 8.034 0.515) 8.155 4.444 ( 9.741 2.070 2.129) 10.184 4.455 ( 4.815 -4.474 -2.004) 6.871 4.539 ( 1.176 -2.678 0.593) 2.984 4.634 ( -2.629 3.048 4.821) 6.280 4.721 ( -5.102 -3.733 -2.406) 6.764 4.867 ( -3.901 5.192 1.442) 6.652 4.952 ( -0.479 6.573 4.825) 8.168 4.987 ( -3.509 -3.340 2.440) 5.425 5.073 ( -0.766 -2.860 0.805) 3.068 5.137 ( 2.852 3.144 -1.220) 4.416 5.171 ( 1.459 -1.155 -2.667) 3.252 5.240 ( -0.135 3.024 -0.621) 3.090 5.317 ( -1.135 -1.997 1.520) 2.754 5.411 ( -2.242 2.843 0.174) 3.625 5.459 ( -1.401 0.885 -1.051) 1.962 5.588 ( 5.441 -4.763 -6.917) 10.007 5.619 ( 3.571 -3.666 -5.822) 7.751 5.896 ( -3.154 10.832 3.753) 11.890 5.939 ( 1.566 4.175 0.022) 4.459 6.005 ( 0.930 -2.774 -0.998) 3.091 6.094 ( -0.021 -4.531 -0.544) 4.563 6.223 ( 0.978 -0.182 3.217) 3.367 6.240 ( -0.333 -1.883 3.082) 3.627 6.345 ( 0.268 -2.040 2.288) 3.077 6.412 ( 2.028 -8.384 1.503) 8.756 6.624 ( -3.538 5.998 4.283) 8.175 6.725 ( -2.853 -2.974 5.381) 6.778 6.841 ( -2.714 3.677 -8.213) 9.399 6.926 ( -0.515 -4.025 -3.537) 5.383 6.989 ( 2.450 2.703 0.422) 3.672 7.049 ( 3.066 -2.487 -3.199) 5.081 7.218 ( 1.586 0.000 -2.672) 3.108 7.257 ( 2.674 -4.144 -2.216) 5.407 7.477 ( -0.967 3.470 3.112) 4.761 7.539 ( -1.362 -2.694 2.714) 4.059 7.687 ( -6.326 2.496 1.615) 6.989 7.752 ( -1.732 -3.631 1.838) 4.423 7.884 ( 4.595 1.670 -8.980) 10.224 7.907 ( 2.844 -0.680 -7.356) 7.916 8.306 ( -2.120 4.337 6.996) 8.500 8.396 ( -3.058 -4.975 4.834) 7.581 9.038 ( 1.153 11.424 2.544) 11.761 9.145 ( -0.810 0.299 -1.041) 1.352 9.861 ( 4.510 5.823 -0.659) 7.394 9.881 ( -0.961 4.259 -0.531) 4.398 10.062 ( -1.482 4.274 1.294) 4.705 10.130 ( 1.873 -2.174 1.167) 3.098 10.221 ( -2.370 2.673 5.654) 6.688 10.342 ( -3.325 -6.251 2.838) 7.628 10.547 ( 0.670 0.831 -2.062) 2.321 10.585 ( 0.356 -1.979 -2.000) 2.836 10.869 ( -0.187 1.795 -0.065) 1.806 10.902 ( 0.239 0.486 0.561) 0.780 10.925 ( -1.521 2.416 -0.767) 2.956 11.032 ( 2.522 -5.019 -4.365) 7.113 11.251 ( 0.762 1.773 1.136) 2.239 11.310 ( -0.428 -3.986 0.718) 4.073 11.590 ( -2.914 10.721 2.654) 11.423 11.833 ( 1.355 -10.983 -5.769) 12.480 12.084 ( -0.721 -0.875 -0.457) 1.222 12.111 ( -0.211 -2.404 -1.235) 2.711 12.313 ( -0.436 3.071 2.046) 3.716 12.367 ( 1.287 -2.230 0.012) 2.575 12.653 ( 2.386 3.898 0.015) 4.570 12.673 ( -0.862 2.544 -0.421) 2.719 13.175 ( -0.351 1.154 -1.924) 2.271 13.241 ( 1.120 -5.063 -3.902) 6.490 13.505 ( 0.109 -0.683 1.146) 1.338 13.542 ( 0.517 -4.238 -0.707) 4.327 13.899 ( -0.622 -0.156 2.729) 2.804 13.916 ( 0.215 -1.769 1.608) 2.400 14.310 ( -0.898 4.105 0.535) 4.236 14.383 ( -3.237 -3.102 -2.499) 5.133 14.693 ( 3.632 -1.172 2.911) 4.800 14.700 ( 5.480 -1.885 2.991) 6.521 15.261 ( -2.954 1.673 1.886) 3.883 15.288 ( -2.902 -1.195 1.439) 3.453 15.557 ( 1.520 1.582 -1.248) 2.524 15.584 ( 0.206 -1.215 -1.680) 2.084 18.945 ( -3.026 32.397 7.113) 33.306 19.390 ( 1.972 1.831 -9.481) 9.855 19.736 ( 3.474 -15.073 -1.807) 15.573 19.801 ( -1.422 -11.835 -2.236) 12.128 20.712 ( 2.325 -1.736 0.694) 2.984 20.753 ( -1.116 -4.865 0.354) 5.004 21.244 ( 1.029 6.195 4.268) 7.593 21.359 ( 0.569 -5.615 -1.464) 5.830 21.835 ( -5.625 10.124 9.150) 14.760 22.076 ( -1.688 -12.843 2.723) 13.237 22.492 ( -1.381 1.099 -0.984) 2.021 22.511 ( 1.495 -0.686 -1.324) 2.111 22.546 ( 1.357 -0.107 0.453) 1.434 22.556 ( 0.142 -1.200 0.470) 1.297 23.374 ( 0.516 1.497 -11.257) 11.368 23.442 ( 1.585 -4.978 -10.795) 11.993 24.036 ( -1.601 2.906 8.376) 9.009 24.087 ( 0.253 -2.384 7.769) 8.130 24.348 ( 0.254 1.173 -2.597) 2.861 24.371 ( 0.292 -1.536 -2.252) 2.742 25.682 ( 0.212 2.694 -0.072) 2.703 25.695 ( 0.258 1.410 -0.347) 1.475 25.734 ( -0.029 2.138 1.880) 2.847 25.767 ( -0.875 -0.735 0.492) 1.244 26.425 ( 0.705 2.359 0.402) 2.494 26.470 ( 0.832 -2.065 -1.092) 2.480 26.854 ( -0.245 0.493 -0.078) 0.556 26.865 ( -0.774 -0.641 -0.181) 1.021 ======================= Grid point 88 (46/72) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -4.979 13.255 -5.718) 15.271 1.604 ( 3.599 -2.722 0.873) 4.596 1.661 ( 6.535 2.790 -3.494) 7.919 1.753 ( 5.973 1.214 2.814) 6.714 1.936 ( 12.081 -0.164 -9.576) 15.416 2.071 ( 8.044 -10.080 -7.580) 14.959 2.208 ( 2.064 0.514 6.972) 7.290 2.261 ( 6.669 -4.220 2.080) 8.161 2.532 ( 6.738 1.861 -6.670) 9.662 2.625 ( 4.733 -6.160 -4.850) 9.158 2.915 ( 9.677 0.764 0.140) 9.708 2.978 ( 9.474 -4.446 4.729) 11.484 3.111 ( -1.007 1.538 2.314) 2.956 3.166 ( 5.429 -3.670 -4.481) 7.939 3.322 ( -5.483 4.374 -2.304) 7.382 3.373 ( 4.879 3.391 -0.329) 5.951 3.434 ( -9.509 -4.501 0.815) 10.553 3.464 ( 4.455 -4.733 -1.750) 6.731 3.673 ( -2.312 5.860 4.866) 7.960 3.817 ( 1.034 -2.373 -4.722) 5.385 3.964 ( -5.244 0.894 8.196) 9.771 3.970 ( 2.744 -0.914 0.087) 2.893 4.062 ( -4.645 1.873 0.066) 5.009 4.114 ( 1.399 -2.579 1.144) 3.149 4.318 ( 4.016 6.767 -2.652) 8.304 4.470 ( -0.803 -4.974 -1.472) 5.249 4.554 ( -1.439 3.021 -2.010) 3.903 4.596 ( -3.019 -0.527 3.234) 4.455 4.676 ( 3.402 2.436 9.123) 10.037 4.762 ( -3.305 0.698 -1.544) 3.714 4.782 ( 8.088 0.016 4.685) 9.347 4.886 ( -6.413 -2.543 -1.210) 7.004 5.009 ( 2.227 1.915 0.278) 2.950 5.053 ( -1.991 -1.102 -0.404) 2.311 5.082 ( 1.298 1.458 -4.032) 4.480 5.195 ( 0.279 -8.142 2.213) 8.442 5.293 ( 4.296 7.122 0.549) 8.336 5.396 ( 4.031 2.093 2.126) 5.015 5.433 ( 4.670 2.991 -1.133) 5.660 5.492 ( 5.993 -0.712 -1.162) 6.146 5.609 ( 2.123 -1.453 -7.098) 7.550 5.657 ( 2.855 -7.838 -5.256) 9.859 5.893 ( 1.521 13.951 0.951) 14.066 5.995 ( 3.163 1.890 0.467) 3.714 6.038 ( 1.966 -0.690 -0.330) 2.109 6.142 ( 3.975 -3.072 0.280) 5.032 6.242 ( -0.754 -1.472 1.553) 2.269 6.257 ( 0.396 -1.979 2.196) 2.982 6.368 ( -0.576 0.182 5.273) 5.307 6.423 ( -3.537 -5.580 5.862) 8.832 6.560 ( -1.974 3.036 -2.427) 4.359 6.667 ( -4.748 -5.874 -0.738) 7.589 6.728 ( -3.597 5.957 -0.016) 6.959 6.869 ( -1.632 -7.307 -0.972) 7.550 7.122 ( 6.369 1.546 -4.996) 8.241 7.153 ( 8.213 -1.568 -4.323) 9.413 7.278 ( 7.099 5.152 -0.813) 8.809 7.352 ( 4.641 -1.103 -0.046) 4.770 7.503 ( -3.475 3.944 5.496) 7.605 7.577 ( 9.201 -3.498 7.370) 12.297 7.661 ( 6.151 0.855 -3.389) 7.075 7.734 ( 1.073 -5.262 -1.270) 5.519 7.948 ( 5.186 1.465 -6.285) 8.279 7.984 ( 8.187 -1.886 -5.321) 9.945 8.318 ( -1.056 4.253 6.530) 7.865 8.397 ( 0.226 -3.915 4.417) 5.907 9.048 ( -1.729 7.216 3.007) 8.006 9.105 ( -1.969 0.972 -1.955) 2.940 9.789 ( -6.584 7.422 -2.347) 10.196 9.875 ( -3.792 -0.017 -1.852) 4.220 10.044 ( -4.463 7.923 4.751) 10.260 10.112 ( -1.788 6.226 -0.523) 6.499 10.219 ( -5.153 -7.528 7.154) 11.593 10.252 ( -2.933 -5.456 0.422) 6.209 10.485 ( -5.148 2.177 -2.188) 6.003 10.527 ( -5.109 -2.128 -1.724) 5.797 10.808 ( -4.033 1.664 -0.518) 4.393 10.838 ( -4.727 -1.621 2.364) 5.528 10.945 ( -0.151 4.049 -1.128) 4.206 11.040 ( -0.336 -3.953 -3.387) 5.216 11.275 ( 0.988 0.626 1.628) 2.004 11.298 ( -0.442 -1.538 -0.712) 1.751 11.537 ( -4.111 10.812 3.795) 12.174 11.808 ( -0.607 -13.813 -4.424) 14.516 12.084 ( 1.348 2.449 -1.064) 2.991 12.139 ( 2.933 -3.176 -0.339) 4.337 12.296 ( -2.086 3.670 1.302) 4.418 12.376 ( -0.164 -4.269 -0.658) 4.323 12.661 ( 0.211 5.761 -0.203) 5.768 12.718 ( 3.428 1.232 -1.087) 3.801 13.136 ( -2.071 1.543 -2.305) 3.462 13.220 ( -0.893 -5.501 -2.778) 6.227 13.480 ( -3.268 -0.627 1.318) 3.580 13.529 ( -1.243 -5.294 -1.132) 5.554 13.917 ( 0.744 0.851 2.187) 2.462 13.951 ( 2.076 -2.626 0.826) 3.448 14.298 ( -0.899 0.824 2.909) 3.155 14.304 ( -3.597 0.306 -0.371) 3.629 14.704 ( -2.369 0.554 -1.851) 3.057 14.746 ( -1.603 -3.514 -1.972) 4.336 15.295 ( 5.077 1.960 4.253) 6.907 15.342 ( 6.270 -3.046 5.254) 8.729 15.590 ( 3.127 2.453 -2.521) 4.707 15.631 ( 4.288 -1.812 -2.355) 5.217 18.929 ( -2.904 31.093 7.166) 32.040 19.386 ( 2.764 -2.184 -7.338) 8.139 19.705 ( -2.021 -8.566 -4.606) 9.933 19.841 ( 3.887 -11.828 -1.118) 12.501 20.704 ( -2.392 -0.561 0.127) 2.460 20.770 ( 1.596 -6.404 0.769) 6.644 21.281 ( -0.368 4.314 4.704) 6.393 21.346 ( -0.822 -2.436 -2.259) 3.422 21.743 ( -8.753 11.637 6.104) 15.789 22.015 ( -8.112 -13.895 2.845) 16.339 22.211 ( -19.927 5.232 -2.001) 20.699 22.311 ( -17.977 -4.363 -0.531) 18.506 22.376 ( -11.738 -0.152 -0.800) 11.766 22.415 ( -11.508 -4.218 2.368) 12.484 23.575 ( 18.398 2.869 -7.591) 20.108 23.666 ( 19.610 -6.035 -7.588) 21.876 24.219 ( 12.788 2.165 7.502) 14.984 24.256 ( 10.217 -1.384 6.272) 12.068 24.408 ( 7.848 1.502 -3.050) 8.553 24.442 ( 10.250 -2.328 -3.059) 10.947 25.675 ( -0.770 2.694 -0.362) 2.825 25.691 ( -0.376 1.118 -0.498) 1.280 25.748 ( 0.136 2.083 1.818) 2.768 25.768 ( 0.654 -0.074 0.956) 1.160 26.415 ( -1.967 1.834 0.078) 2.690 26.451 ( -2.055 -1.756 -1.445) 3.065 26.811 ( -3.833 1.063 0.470) 4.005 26.828 ( -2.904 -0.804 -0.031) 3.014 ======================= Grid point 89 (47/72) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -11.472 4.181 -9.676) 15.579 1.381 ( -12.477 -15.168 -5.132) 20.300 1.815 ( 1.315 3.876 -2.018) 4.563 1.876 ( -5.499 0.040 -6.640) 8.621 2.036 ( 16.650 2.427 3.371) 17.160 2.164 ( 5.932 -7.208 -2.883) 9.770 2.377 ( 1.260 3.670 -2.417) 4.572 2.475 ( 9.722 -6.216 0.939) 11.578 2.700 ( 11.821 4.480 3.534) 13.126 2.794 ( 15.504 -3.246 0.258) 15.842 2.985 ( -2.657 3.661 -0.299) 4.533 3.030 ( 3.520 -1.779 -4.879) 6.273 3.191 ( -0.811 2.919 4.699) 5.591 3.264 ( -3.153 -4.149 4.903) 7.155 3.369 ( 15.928 1.918 -3.228) 16.364 3.435 ( 14.521 -3.967 0.569) 15.064 3.499 ( 10.154 0.966 -4.055) 10.976 3.555 ( 4.351 -5.067 -0.473) 6.696 3.684 ( 0.039 3.037 3.599) 4.709 3.811 ( 1.588 -2.049 -2.679) 3.727 3.960 ( 0.838 0.754 5.439) 5.555 4.000 ( 4.270 -1.093 1.701) 4.724 4.088 ( 5.248 2.728 -1.051) 6.007 4.142 ( 1.416 -1.403 0.394) 2.032 4.365 ( -2.205 5.161 2.447) 6.123 4.427 ( -0.768 8.120 -1.845) 8.362 4.434 ( -8.856 -4.201 1.764) 9.959 4.576 ( -4.280 -2.677 -4.251) 6.599 4.611 ( -6.042 2.516 0.322) 6.553 4.709 ( -2.243 -5.510 -0.456) 5.966 4.813 ( 3.507 6.607 4.628) 8.796 4.993 ( -0.617 -3.245 2.920) 4.409 5.006 ( 0.217 -0.782 -0.744) 1.101 5.043 ( 6.230 -3.646 -2.839) 7.756 5.161 ( 5.586 3.210 -2.355) 6.860 5.253 ( 4.107 -2.720 -2.344) 5.455 5.354 ( 2.954 1.692 1.170) 3.600 5.455 ( 1.904 -4.087 1.759) 4.839 5.549 ( 4.853 4.716 -1.424) 6.916 5.608 ( 2.940 1.678 -3.842) 5.120 5.626 ( 6.197 1.205 -1.203) 6.427 5.702 ( 4.342 -5.327 -1.451) 7.024 5.934 ( 1.890 11.186 -2.460) 11.608 6.033 ( 0.287 -0.824 -0.148) 0.885 6.070 ( 2.325 1.536 -0.345) 2.808 6.149 ( -5.551 -0.479 2.982) 6.320 6.217 ( -2.522 -2.416 -0.486) 3.526 6.248 ( -4.569 -3.836 8.102) 10.061 6.342 ( 0.283 3.289 -1.519) 3.634 6.434 ( 1.720 -5.288 3.521) 6.582 6.543 ( 1.217 1.617 -2.806) 3.459 6.626 ( -0.268 -5.531 -0.406) 5.553 6.721 ( 2.816 7.177 4.044) 8.706 6.886 ( 1.738 -8.230 4.906) 9.738 7.161 ( 2.041 1.784 -7.998) 8.444 7.196 ( 1.781 -0.890 -7.405) 7.668 7.364 ( -0.570 2.050 2.374) 3.188 7.383 ( -1.569 0.715 -1.283) 2.149 7.576 ( 7.428 9.499 4.198) 12.768 7.747 ( 2.169 -5.963 1.474) 6.514 7.873 ( 16.509 2.270 4.681) 17.309 7.910 ( 14.656 -0.261 -3.630) 15.101 8.049 ( 9.550 -0.131 -3.057) 10.029 8.118 ( 8.173 -6.149 -1.896) 10.403 8.353 ( 1.797 3.612 4.765) 6.244 8.448 ( 2.053 -4.832 4.297) 6.784 9.009 ( -3.369 4.893 0.647) 5.976 9.065 ( -0.891 -0.723 -1.821) 2.152 9.630 ( -8.144 5.503 -1.708) 9.976 9.721 ( -10.148 -3.300 -1.645) 10.798 9.901 ( -9.295 8.211 3.342) 12.844 10.050 ( -10.469 -6.925 2.068) 12.721 10.104 ( -4.770 7.390 0.076) 8.796 10.183 ( -8.510 -1.135 -1.688) 8.750 10.404 ( -4.474 -0.589 0.020) 4.513 10.414 ( -0.440 -0.636 0.469) 0.905 10.724 ( -4.577 1.908 0.130) 4.961 10.761 ( -4.853 -1.836 2.569) 5.790 10.876 ( -6.330 4.316 -0.609) 7.685 10.977 ( -3.457 -4.340 -1.613) 5.778 11.276 ( -0.549 2.633 -3.788) 4.646 11.303 ( 0.481 -1.252 1.060) 1.709 11.504 ( -2.402 10.037 7.610) 12.823 11.777 ( -0.152 -14.004 -2.105) 14.162 12.106 ( 1.207 4.970 -1.156) 5.244 12.199 ( 2.516 -4.130 0.613) 4.875 12.275 ( 0.181 3.286 0.175) 3.296 12.371 ( 0.746 -5.928 -1.027) 6.062 12.663 ( 0.148 7.254 -0.888) 7.309 12.755 ( 1.112 0.125 -1.708) 2.042 13.080 ( -1.934 2.264 -2.593) 3.949 13.188 ( -0.634 -5.126 -1.903) 5.505 13.408 ( -4.715 -0.152 1.568) 4.971 13.485 ( -2.102 -7.726 -1.842) 8.216 13.946 ( 0.895 1.125 1.877) 2.364 13.982 ( 0.858 -2.833 -0.555) 3.011 14.228 ( -4.382 5.046 0.626) 6.713 14.317 ( -0.534 -3.671 4.552) 5.872 14.657 ( 0.683 -0.047 -3.709) 3.772 14.680 ( -0.773 -2.413 -4.824) 5.449 15.461 ( 7.499 2.692 6.020) 9.986 15.524 ( 7.269 -3.714 6.196) 10.248 15.637 ( 3.481 2.327 -3.768) 5.633 15.682 ( 2.360 -2.277 -3.631) 4.893 18.922 ( -2.634 29.709 7.993) 30.878 19.404 ( 2.364 -8.848 -3.367) 9.757 19.644 ( -0.241 2.017 -7.742) 8.004 19.890 ( 1.880 -13.811 -1.990) 14.080 20.667 ( -1.095 3.262 0.064) 3.441 20.786 ( -0.600 -8.418 0.062) 8.440 21.260 ( -4.370 6.236 3.263) 8.285 21.325 ( -0.019 0.041 -0.169) 0.175 21.579 ( -9.828 9.087 0.303) 13.388 21.752 ( -15.308 -3.878 -1.602) 15.873 21.881 ( -14.725 1.314 1.210) 14.833 21.974 ( -15.204 -6.030 -0.403) 16.361 22.200 ( -6.731 -3.359 2.742) 8.007 22.263 ( -5.400 -9.970 4.282) 12.120 23.809 ( 8.341 2.846 -3.699) 9.558 23.897 ( 7.071 -5.810 -4.188) 10.064 24.520 ( 14.436 1.587 3.066) 14.843 24.540 ( 16.270 -0.140 1.841) 16.374 24.624 ( 14.362 2.497 -1.046) 14.615 24.696 ( 14.892 -4.502 -1.501) 15.630 25.652 ( -1.135 2.537 -0.651) 2.854 25.674 ( -0.813 0.488 -1.139) 1.482 25.765 ( 0.460 3.126 1.787) 3.630 25.793 ( 0.810 0.179 1.890) 2.064 26.354 ( -3.916 1.161 -0.701) 4.144 26.377 ( -4.323 -1.153 -1.611) 4.756 26.732 ( -4.449 1.763 1.166) 4.925 26.760 ( -3.901 -1.123 0.122) 4.061 ======================= Grid point 90 (48/72) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -13.036 4.490 -11.607) 18.023 1.129 ( -8.135 -21.577 -8.451) 24.559 1.786 ( 0.170 0.504 -1.948) 2.019 1.842 ( 1.445 -3.962 2.156) 4.737 2.214 ( -0.844 1.907 -3.513) 4.085 2.294 ( 2.402 -6.192 -4.619) 8.090 2.316 ( 3.175 8.384 3.566) 9.648 2.489 ( -2.825 -7.651 3.850) 9.018 2.864 ( -0.977 6.924 7.400) 10.181 2.959 ( 1.173 -1.520 3.201) 3.732 3.076 ( 6.151 -0.980 -1.564) 6.421 3.097 ( 3.811 -0.791 -7.399) 8.360 3.275 ( 10.436 1.781 0.845) 10.620 3.317 ( 7.227 -2.902 1.266) 7.890 3.570 ( 0.187 -0.338 2.810) 2.836 3.625 ( 5.920 3.312 -0.163) 6.785 3.660 ( -2.745 -2.608 4.438) 5.834 3.693 ( 13.213 3.721 -0.754) 13.748 3.771 ( 13.573 -2.996 -3.043) 14.229 3.811 ( -1.765 -6.034 -6.478) 9.028 4.054 ( 4.803 10.026 -0.513) 11.129 4.135 ( 1.128 5.140 -1.272) 5.414 4.176 ( 5.111 -1.601 -0.104) 5.357 4.239 ( 3.382 -1.317 -2.731) 4.542 4.252 ( 3.708 -1.757 1.360) 4.323 4.274 ( -4.539 -8.272 -0.577) 9.454 4.428 ( -1.798 5.524 -1.697) 6.052 4.464 ( -5.051 2.291 4.758) 7.307 4.588 ( 3.901 3.938 7.064) 8.979 4.754 ( 2.232 -2.684 1.958) 4.002 4.854 ( -2.037 2.033 2.874) 4.067 4.977 ( 0.793 -2.311 -2.207) 3.292 4.990 ( 1.338 0.820 -5.978) 6.180 5.097 ( -1.782 -8.609 0.597) 8.812 5.228 ( 2.837 5.279 -3.620) 7.001 5.305 ( 3.013 -0.207 -3.726) 4.796 5.421 ( 2.461 0.344 1.535) 2.921 5.490 ( -0.092 -4.088 -1.708) 4.431 5.570 ( 0.661 3.121 -4.726) 5.702 5.619 ( -1.161 -1.140 -0.474) 1.695 5.716 ( 2.220 3.597 2.489) 4.905 5.765 ( 1.756 -1.688 1.210) 2.719 5.918 ( -1.270 6.644 -3.606) 7.666 6.023 ( -2.614 -2.431 1.536) 3.886 6.037 ( -1.835 2.030 3.483) 4.430 6.134 ( -0.854 -5.204 3.224) 6.181 6.204 ( 3.544 2.895 6.662) 8.082 6.264 ( 2.801 -3.379 1.333) 4.587 6.368 ( 2.946 5.423 -3.563) 7.126 6.475 ( -0.607 -3.974 2.092) 4.532 6.548 ( -0.709 0.290 0.666) 1.015 6.607 ( -1.057 -4.276 1.872) 4.786 6.837 ( 4.448 5.916 0.141) 7.403 6.964 ( 2.062 -5.522 5.257) 7.898 7.119 ( -0.733 2.202 -7.524) 7.874 7.156 ( -0.255 -0.672 -8.373) 8.403 7.327 ( -0.745 2.104 -4.366) 4.903 7.365 ( -0.505 -1.537 2.513) 2.988 7.719 ( 4.180 4.668 3.045) 6.967 7.792 ( 0.680 -2.469 2.619) 3.663 8.048 ( 4.544 10.128 -1.781) 11.243 8.198 ( 7.515 1.988 -2.487) 8.161 8.253 ( 14.717 0.557 3.142) 15.059 8.329 ( 10.123 -6.985 6.570) 13.943 8.456 ( 5.765 -1.333 1.443) 6.091 8.534 ( 5.106 -6.426 2.495) 8.578 8.937 ( -3.283 5.613 -2.374) 6.922 9.038 ( -0.524 -3.746 -3.012) 4.835 9.463 ( -8.411 1.407 -0.089) 8.528 9.499 ( -10.678 -1.970 0.198) 10.860 9.778 ( -5.071 5.667 2.709) 8.073 9.870 ( -9.936 -3.310 2.283) 10.718 9.925 ( -8.570 2.480 -2.340) 9.224 9.968 ( -9.488 -1.604 -3.802) 10.346 10.383 ( -0.046 3.483 -0.479) 3.516 10.416 ( -0.011 -0.018 0.230) 0.231 10.644 ( -3.771 2.750 0.824) 4.740 10.671 ( -5.865 -0.171 -0.328) 5.877 10.746 ( -4.336 6.248 2.051) 7.877 10.930 ( -1.347 -8.913 0.939) 9.063 11.237 ( -0.218 5.959 -4.734) 7.614 11.301 ( -0.842 -2.251 -0.580) 2.472 11.528 ( -1.302 8.843 9.957) 13.380 11.775 ( 0.497 -12.519 -0.297) 12.533 12.115 ( 0.325 6.511 0.007) 6.519 12.234 ( 1.199 -3.646 0.592) 3.884 12.300 ( 1.775 1.064 -0.793) 2.216 12.393 ( 1.402 -6.799 -0.759) 6.983 12.663 ( 0.832 6.577 -0.956) 6.698 12.745 ( -0.738 0.418 -1.832) 2.019 13.043 ( -0.115 3.833 -2.237) 4.439 13.174 ( 0.152 -4.464 -1.718) 4.786 13.332 ( -3.871 0.464 1.646) 4.232 13.438 ( -0.953 -9.997 -2.918) 10.458 13.970 ( 0.069 0.488 1.349) 1.436 13.991 ( 0.758 -2.108 1.147) 2.517 14.144 ( -3.782 7.277 -0.979) 8.259 14.297 ( -3.033 -7.747 0.308) 8.325 14.676 ( 3.248 1.410 -1.618) 3.893 14.708 ( 3.689 -1.905 -1.009) 4.272 15.597 ( 1.712 3.046 2.115) 4.084 15.657 ( 3.478 -1.934 1.377) 4.211 15.677 ( 1.081 0.023 -3.306) 3.478 15.700 ( 4.033 -1.990 1.730) 4.818 18.924 ( -2.478 29.091 9.089) 30.578 19.436 ( 1.431 -16.375 1.639) 16.519 19.602 ( 1.768 10.228 -11.380) 15.402 19.889 ( 0.153 -12.808 -4.141) 13.462 20.668 ( 0.862 2.617 0.018) 2.756 20.745 ( -2.857 -4.916 -0.745) 5.734 21.209 ( -1.974 7.242 3.012) 8.088 21.314 ( -2.093 -2.664 1.023) 3.539 21.384 ( -9.400 10.916 0.613) 14.418 21.520 ( -6.397 3.214 -4.204) 8.302 21.671 ( -7.620 -4.695 1.356) 9.053 21.756 ( -5.168 -9.656 -3.644) 11.543 22.128 ( -4.519 -3.135 7.784) 9.531 22.226 ( -1.977 -12.339 4.236) 13.195 23.882 ( 2.093 1.769 -1.820) 3.289 23.942 ( 1.344 -4.300 -2.929) 5.374 24.784 ( 10.442 3.247 0.798) 10.964 24.838 ( 12.299 -0.962 0.038) 12.336 24.865 ( 9.658 1.008 -0.331) 9.716 24.934 ( 9.472 -4.257 -0.572) 10.401 25.626 ( -0.922 2.687 -1.028) 3.021 25.649 ( -0.716 0.542 -1.984) 2.178 25.783 ( 0.195 3.380 1.988) 3.926 25.815 ( -0.112 0.196 2.250) 2.261 26.269 ( -3.648 1.025 -0.925) 3.900 26.288 ( -3.662 -0.788 -0.473) 3.776 26.664 ( -3.086 1.728 0.996) 3.675 26.692 ( -2.711 -1.196 -0.281) 2.977 ======================= Grid point 91 (49/72) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 10.257 3.493 -6.807) 12.796 1.015 ( 3.654 -21.271 -12.378) 24.880 1.825 ( 2.892 -1.435 2.405) 4.026 1.883 ( -1.532 -6.498 2.318) 7.067 2.126 ( -0.193 3.486 -3.505) 4.947 2.218 ( -1.901 -6.212 -7.369) 9.824 2.439 ( 3.201 6.204 6.584) 9.597 2.546 ( 1.240 -4.850 8.445) 9.817 2.858 ( -0.528 6.850 3.589) 7.751 2.993 ( -1.389 -5.984 5.081) 7.972 3.073 ( 1.003 4.405 -7.499) 8.755 3.159 ( 4.267 -3.613 -1.889) 5.902 3.367 ( -2.805 0.737 -1.108) 3.105 3.414 ( 0.443 -0.231 -0.005) 0.500 3.500 ( -7.713 2.958 1.837) 8.463 3.607 ( -6.398 -2.866 -2.039) 7.301 3.666 ( -1.954 2.314 -4.681) 5.575 3.752 ( 0.870 -4.790 -3.893) 6.234 3.867 ( 5.872 3.593 -0.723) 6.922 3.923 ( 2.888 -1.760 -2.192) 4.030 4.047 ( -2.709 4.226 2.966) 5.830 4.117 ( 2.366 -0.196 2.028) 3.122 4.201 ( -1.122 3.778 1.972) 4.407 4.264 ( 0.394 -3.495 0.133) 3.519 4.305 ( -1.169 -2.085 -1.949) 3.084 4.366 ( -1.240 -3.661 0.451) 3.891 4.411 ( 7.501 11.171 -2.088) 13.617 4.486 ( 1.749 4.596 4.131) 6.422 4.686 ( 1.087 -3.812 0.320) 3.976 4.765 ( -4.994 -8.341 2.217) 9.971 4.814 ( -0.671 6.659 4.137) 7.868 4.960 ( -3.875 -4.661 -1.321) 6.203 5.019 ( 4.133 -1.232 -2.019) 4.762 5.056 ( 0.954 -4.492 -1.195) 4.745 5.239 ( 0.592 4.821 -3.043) 5.732 5.308 ( -0.449 -1.439 -2.848) 3.223 5.394 ( -5.363 2.704 -4.458) 7.480 5.434 ( -0.768 -1.495 -3.166) 3.584 5.576 ( 2.089 2.888 0.752) 3.643 5.622 ( 2.065 -0.491 1.633) 2.678 5.751 ( 0.276 1.673 -1.524) 2.280 5.783 ( 0.365 -1.774 -2.953) 3.464 5.902 ( 0.283 4.910 3.949) 6.307 5.983 ( -2.377 -0.717 6.507) 6.964 6.066 ( 1.946 -0.198 2.117) 2.882 6.160 ( 1.192 -3.475 1.809) 4.095 6.305 ( -0.587 1.175 2.976) 3.253 6.332 ( 2.369 -0.084 1.390) 2.749 6.412 ( 2.390 3.611 0.778) 4.400 6.452 ( -0.102 -3.190 1.701) 3.617 6.506 ( -3.899 1.369 2.802) 4.993 6.624 ( 0.336 -6.210 3.000) 6.905 6.807 ( -5.178 6.396 -4.838) 9.546 6.951 ( -4.596 -6.722 -3.040) 8.692 7.090 ( 3.298 4.774 -6.075) 8.401 7.151 ( 2.241 0.561 -1.767) 2.909 7.327 ( 3.063 0.586 -4.436) 5.423 7.387 ( 2.020 -3.534 -0.494) 4.100 7.766 ( -0.987 2.253 3.088) 3.948 7.796 ( -2.124 -0.684 3.761) 4.373 8.097 ( 0.261 11.252 2.504) 11.530 8.252 ( -0.478 -1.404 -2.852) 3.215 8.410 ( -3.375 7.175 2.924) 8.451 8.483 ( 0.183 -1.124 4.717) 4.852 8.526 ( -0.738 -3.610 4.492) 5.810 8.636 ( 2.373 -13.126 0.270) 13.342 8.875 ( -0.321 8.672 -3.724) 9.443 9.024 ( 1.958 -5.723 -4.501) 7.539 9.367 ( 1.461 -0.166 0.755) 1.653 9.385 ( -0.789 -1.906 0.422) 2.105 9.706 ( -3.259 2.504 0.798) 4.186 9.744 ( -0.730 -1.584 0.123) 1.749 9.831 ( 1.343 3.943 -0.661) 4.218 9.893 ( 2.540 -2.598 -1.749) 4.032 10.366 ( -0.364 2.691 -0.774) 2.824 10.408 ( -1.041 -1.864 -1.939) 2.884 10.566 ( -2.120 7.252 0.594) 7.579 10.615 ( 0.479 1.144 -0.654) 1.402 10.759 ( 1.595 4.620 5.258) 7.178 10.913 ( -0.430 -6.384 -0.541) 6.422 11.226 ( 1.141 2.225 -2.857) 3.797 11.269 ( -1.263 -1.984 -1.878) 3.010 11.560 ( -1.669 8.821 9.834) 13.316 11.787 ( 0.653 -11.023 0.242) 11.045 12.127 ( 0.603 7.267 1.215) 7.393 12.261 ( 1.663 -3.286 -0.820) 3.773 12.316 ( -0.021 -0.776 -0.143) 0.789 12.389 ( -1.320 -5.926 -0.951) 6.145 12.684 ( 0.540 4.171 -0.143) 4.208 12.720 ( 0.427 2.112 -2.392) 3.219 13.049 ( 1.767 3.088 -1.528) 3.872 13.168 ( 0.502 -4.398 -2.383) 5.027 13.290 ( -1.362 1.862 2.065) 3.096 13.420 ( 1.066 -10.794 -3.647) 11.443 13.971 ( -0.343 1.926 1.549) 2.495 14.029 ( 0.886 -3.991 2.863) 4.991 14.090 ( -0.343 6.858 -1.243) 6.978 14.227 ( -2.802 -6.785 -3.319) 8.056 14.733 ( 1.910 0.873 0.701) 2.214 14.755 ( 0.758 -1.344 -0.154) 1.550 15.577 ( -2.905 1.462 -1.019) 3.408 15.609 ( -3.299 -1.719 -2.324) 4.386 15.762 ( 1.334 -0.017 2.157) 2.536 15.769 ( 3.020 -0.604 1.715) 3.525 18.935 ( -2.414 29.560 9.893) 31.265 19.477 ( 0.516 -22.159 5.451) 22.825 19.573 ( 3.169 14.605 -13.927) 20.429 19.862 ( 0.722 -11.388 -6.250) 13.010 20.677 ( -1.125 0.115 0.097) 1.135 20.695 ( -0.785 -1.647 -0.739) 1.968 21.198 ( -3.472 7.461 3.256) 8.850 21.268 ( 0.296 0.711 -0.241) 0.807 21.299 ( 0.977 7.505 1.907) 7.805 21.463 ( 2.695 4.075 -4.856) 6.889 21.597 ( -0.818 -6.909 1.640) 7.148 21.726 ( 4.119 -9.690 -5.557) 11.906 22.105 ( -3.579 -2.719 9.704) 10.694 22.221 ( -1.312 -12.983 4.361) 13.759 23.897 ( 0.876 1.101 -1.328) 1.935 23.943 ( 0.889 -3.577 -2.842) 4.654 24.896 ( -0.025 3.453 1.016) 3.599 24.962 ( 0.218 2.608 -1.497) 3.015 24.966 ( 0.222 -3.814 1.066) 3.966 25.021 ( -0.526 -3.348 -0.983) 3.529 25.614 ( 0.673 3.048 -1.492) 3.460 25.634 ( 0.914 1.124 -2.502) 2.891 25.796 ( -0.314 1.761 2.350) 2.954 25.804 ( -2.098 0.893 1.809) 2.911 26.236 ( 0.771 0.796 0.228) 1.132 26.246 ( -0.316 -0.201 -0.144) 0.401 26.633 ( -0.418 1.805 0.579) 1.941 26.664 ( 0.300 -1.388 -0.604) 1.543 ======================= Grid point 92 (50/72) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 18.531 -4.690 -7.155) 20.411 1.124 ( 14.985 -12.878 -12.181) 23.212 1.770 ( -6.351 -0.312 -3.259) 7.145 1.858 ( -2.365 -8.467 -0.720) 8.820 2.199 ( 6.506 4.455 -0.459) 7.898 2.275 ( 8.155 -3.349 2.982) 9.307 2.468 ( -2.689 5.458 2.437) 6.555 2.539 ( -5.021 -1.388 4.426) 6.836 2.901 ( -1.833 3.366 -1.672) 4.182 2.968 ( -0.470 -1.257 1.732) 2.191 3.104 ( 2.722 1.940 0.356) 3.362 3.148 ( -8.123 -0.700 8.380) 11.692 3.246 ( -5.307 -1.804 -3.174) 6.441 3.331 ( 0.913 -7.708 -8.400) 11.437 3.403 ( -9.091 6.331 -2.053) 11.267 3.461 ( -6.502 0.115 3.726) 7.495 3.543 ( -8.989 1.066 -2.470) 9.383 3.637 ( -7.460 -6.112 -3.943) 10.419 3.834 ( -9.451 0.059 -0.764) 9.482 3.871 ( -6.119 -0.508 -2.230) 6.532 4.042 ( -2.228 8.042 5.205) 9.835 4.094 ( -4.837 3.453 -1.646) 6.166 4.167 ( -6.099 1.045 0.583) 6.215 4.207 ( -2.203 -8.710 5.975) 10.790 4.345 ( 7.928 4.577 -3.764) 9.898 4.380 ( 2.182 1.561 1.758) 3.207 4.484 ( -3.687 -0.881 5.541) 6.714 4.532 ( -7.303 1.769 3.631) 8.346 4.615 ( 6.221 -0.400 -4.783) 7.858 4.728 ( 0.486 -0.919 -1.796) 2.075 4.819 ( -2.355 -0.292 -1.492) 2.804 4.907 ( 0.724 -3.680 3.065) 4.844 5.067 ( -0.584 -1.031 1.399) 1.834 5.076 ( 3.024 -4.130 -5.171) 7.276 5.192 ( -3.023 4.952 -3.171) 6.612 5.260 ( -2.331 -2.284 -3.392) 4.707 5.309 ( -1.700 4.816 -0.014) 5.108 5.397 ( -1.086 -2.834 -2.589) 3.989 5.613 ( -0.947 4.496 2.565) 5.262 5.685 ( -1.825 -0.855 -0.634) 2.113 5.712 ( 1.389 1.838 -3.359) 4.073 5.763 ( 1.142 -4.091 -2.433) 4.894 5.974 ( 2.550 5.782 7.586) 9.873 6.014 ( 1.096 2.400 5.391) 6.002 6.116 ( -2.220 0.349 1.746) 2.845 6.153 ( -1.330 2.922 0.947) 3.347 6.247 ( -2.373 -6.198 -3.160) 7.351 6.307 ( -4.565 -3.372 -2.424) 6.172 6.404 ( -4.280 1.681 1.449) 4.821 6.459 ( -0.541 -4.643 3.125) 5.623 6.537 ( 1.138 5.337 4.577) 7.122 6.612 ( 0.706 -0.892 -2.331) 2.594 6.727 ( -1.261 0.597 5.375) 5.553 6.844 ( -2.530 -8.332 -2.875) 9.170 7.131 ( 2.892 6.349 -4.056) 8.070 7.186 ( 3.131 3.302 -2.663) 5.272 7.335 ( 0.194 0.125 -6.177) 6.182 7.422 ( 1.614 -5.373 -2.517) 6.149 7.730 ( -4.749 1.688 3.975) 6.419 7.757 ( -4.387 -0.698 4.024) 5.993 8.013 ( -11.299 6.575 -1.106) 13.119 8.129 ( -10.695 -3.745 -1.876) 11.486 8.295 ( -6.251 12.698 3.674) 14.622 8.395 ( -8.401 2.486 3.955) 9.612 8.471 ( -7.219 -4.293 3.426) 9.071 8.607 ( -4.981 -17.223 2.572) 18.112 8.872 ( 1.325 11.155 -3.008) 11.629 9.045 ( 2.640 -6.229 -3.682) 7.702 9.482 ( 9.621 1.278 -0.258) 9.709 9.513 ( 10.486 -1.514 0.257) 10.598 9.756 ( 6.431 4.617 1.886) 8.139 9.812 ( 6.191 -0.910 1.386) 6.409 9.944 ( 9.228 3.131 -2.248) 10.001 10.001 ( 9.467 -2.822 -2.583) 10.211 10.365 ( 0.356 1.675 0.133) 1.717 10.393 ( 1.519 -1.380 0.403) 2.092 10.589 ( 3.453 4.980 0.208) 6.063 10.667 ( 4.212 -1.584 0.759) 4.564 10.815 ( 2.124 7.587 1.460) 8.013 10.948 ( 4.416 -3.597 0.569) 5.724 11.205 ( -1.229 0.454 -2.940) 3.218 11.261 ( 0.855 -4.105 -0.935) 4.296 11.584 ( -1.442 9.579 8.580) 12.940 11.802 ( 0.955 -9.974 -0.296) 10.024 12.146 ( 0.276 7.200 1.095) 7.288 12.289 ( 1.887 -2.656 -1.479) 3.578 12.296 ( -2.387 -3.100 1.193) 4.090 12.346 ( -1.848 -4.352 -1.350) 4.917 12.653 ( -2.039 6.648 -1.322) 7.078 12.744 ( 1.806 -0.911 -1.678) 2.628 13.084 ( 2.589 0.764 -1.435) 3.057 13.169 ( 1.639 -4.920 -3.691) 6.365 13.311 ( 1.961 2.830 2.808) 4.442 13.433 ( 2.355 -9.278 -3.234) 10.104 13.976 ( -0.947 3.320 2.724) 4.398 14.026 ( -0.919 -0.437 -0.292) 1.059 14.144 ( 3.216 -1.466 1.680) 3.913 14.169 ( 0.593 -2.581 -2.385) 3.564 14.724 ( -2.798 0.274 -1.513) 3.192 14.740 ( -1.500 -1.340 -1.077) 2.282 15.494 ( -5.248 1.085 1.219) 5.496 15.522 ( -5.080 -1.805 0.721) 5.440 15.757 ( -2.058 2.483 -0.236) 3.234 15.805 ( -0.426 -2.390 0.438) 2.467 18.948 ( -2.443 30.793 9.935) 32.448 19.510 ( -0.051 -17.240 1.688) 17.322 19.558 ( 3.300 8.997 -10.398) 14.141 19.853 ( 2.419 -13.308 -6.256) 14.902 20.633 ( -2.043 2.764 0.364) 3.457 20.705 ( 1.202 -4.543 -0.637) 4.742 21.150 ( -1.599 10.195 2.425) 10.601 21.304 ( 1.364 -4.426 0.712) 4.686 21.447 ( 12.198 5.804 1.364) 13.577 21.552 ( 9.765 2.741 -3.894) 10.864 21.668 ( 7.827 -0.753 0.241) 7.867 21.828 ( 9.528 -7.781 -4.870) 13.230 22.101 ( -2.808 -2.967 9.480) 10.323 22.228 ( -0.631 -13.235 4.539) 14.006 23.902 ( 0.290 0.688 -1.605) 1.770 23.943 ( 0.788 -3.439 -3.234) 4.786 24.778 ( -12.680 3.746 0.827) 13.248 24.839 ( -12.408 -0.771 -0.007) 12.432 24.867 ( -9.492 0.628 -0.178) 9.515 24.928 ( -7.944 -4.827 -0.660) 9.319 25.632 ( 1.786 2.614 -1.420) 3.470 25.649 ( 1.677 1.005 -1.970) 2.776 25.766 ( -2.288 3.480 2.202) 4.711 25.809 ( -0.400 -0.796 2.412) 2.571 26.266 ( 2.559 1.402 -0.922) 3.060 26.289 ( 4.042 -0.841 -0.466) 4.155 26.661 ( 2.873 2.323 0.840) 3.789 26.699 ( 3.410 -1.572 -0.129) 3.757 ======================= Grid point 93 (51/72) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 15.019 -4.152 -8.878) 17.934 1.368 ( 13.175 -9.108 -5.433) 16.913 1.665 ( -1.324 3.175 -3.886) 5.190 1.777 ( -3.044 -6.786 -3.281) 8.129 2.161 ( -10.774 9.479 0.594) 14.362 2.342 ( -7.626 -6.747 3.865) 10.891 2.469 ( -0.297 5.072 -3.124) 5.964 2.563 ( 0.529 -3.725 -0.221) 3.768 2.660 ( -15.111 5.079 -0.580) 15.952 2.798 ( -15.386 -7.519 2.830) 17.358 3.070 ( -8.949 8.217 -6.566) 13.810 3.122 ( -2.478 3.993 -6.254) 7.823 3.163 ( -5.936 3.791 6.659) 9.693 3.216 ( -0.172 -1.763 2.404) 2.986 3.295 ( 0.087 -7.903 -2.437) 8.271 3.326 ( -3.177 -6.242 -5.452) 8.875 3.453 ( -2.927 -1.057 3.488) 4.674 3.527 ( -1.814 -5.012 4.695) 7.103 3.677 ( -3.545 1.075 -0.947) 3.824 3.733 ( -5.498 -5.184 1.175) 7.647 3.954 ( -7.830 8.368 2.818) 11.801 4.052 ( 1.357 7.397 -0.346) 7.528 4.103 ( -2.443 4.314 4.055) 6.405 4.177 ( -3.408 -6.511 4.653) 8.698 4.320 ( -10.345 -3.087 6.315) 12.507 4.357 ( -4.154 -1.837 0.554) 4.576 4.495 ( 4.911 0.915 -3.888) 6.330 4.541 ( 7.436 -3.131 -7.300) 10.880 4.673 ( 2.079 3.630 -3.865) 5.695 4.711 ( -0.847 0.212 -3.882) 3.979 4.844 ( 2.709 5.174 6.829) 8.986 4.924 ( -1.081 -0.145 2.865) 3.065 5.048 ( -0.271 -0.220 -2.091) 2.120 5.109 ( 1.520 -5.386 -3.610) 6.660 5.153 ( -0.626 2.962 -0.022) 3.028 5.185 ( -1.509 -1.491 -2.749) 3.473 5.300 ( -0.552 3.535 2.795) 4.540 5.359 ( -2.144 -1.579 0.888) 2.807 5.550 ( -5.800 0.780 1.098) 5.955 5.568 ( -5.858 -0.021 -1.783) 6.123 5.731 ( -1.083 1.922 -3.227) 3.909 5.776 ( -1.362 -2.115 -2.655) 3.658 5.963 ( -6.060 4.840 0.567) 7.776 6.005 ( -3.361 3.324 1.565) 4.979 6.059 ( -2.260 3.290 2.026) 4.476 6.147 ( -1.938 1.631 1.329) 2.860 6.186 ( 0.332 -6.492 0.281) 6.507 6.245 ( -1.462 -6.322 -2.173) 6.843 6.315 ( -2.052 3.458 -1.747) 4.384 6.425 ( -3.848 -7.804 1.332) 8.803 6.607 ( 1.358 4.332 7.145) 8.465 6.678 ( 4.089 -2.555 2.061) 5.244 6.773 ( 3.371 1.157 3.597) 5.064 6.842 ( 2.497 -4.310 -0.971) 5.075 7.130 ( -0.495 6.047 -4.226) 7.394 7.232 ( -1.790 -3.262 -4.899) 6.151 7.255 ( -0.821 7.020 -2.206) 7.404 7.394 ( -3.040 -6.305 -3.334) 7.753 7.634 ( -7.732 2.548 5.548) 9.852 7.681 ( -7.063 -2.250 5.159) 9.031 7.772 ( -7.753 4.572 -3.495) 9.656 7.885 ( -10.751 -6.558 -0.621) 12.609 8.140 ( -8.517 7.546 -5.257) 12.535 8.285 ( -11.757 -7.136 -2.480) 13.975 8.337 ( -3.586 7.254 9.383) 12.391 8.526 ( -5.748 -11.747 5.354) 14.131 8.899 ( 3.225 13.627 -1.206) 14.056 9.090 ( 3.316 -5.614 -1.129) 6.617 9.658 ( 7.573 2.955 -1.758) 8.316 9.702 ( 8.950 -1.071 -1.540) 9.145 9.917 ( 7.702 4.601 3.381) 9.587 9.965 ( 7.773 -0.394 0.583) 7.805 10.092 ( 6.066 6.678 0.409) 9.031 10.186 ( 9.356 -3.507 -0.624) 10.011 10.421 ( 5.239 -1.034 0.181) 5.343 10.446 ( 3.308 -2.859 -0.092) 4.373 10.681 ( 5.210 4.810 0.692) 7.125 10.758 ( 4.617 -1.994 1.758) 5.328 10.898 ( 5.572 6.787 -0.492) 8.795 11.034 ( 3.027 -5.417 -1.443) 6.371 11.184 ( 1.391 2.837 -1.536) 3.513 11.267 ( -0.015 -5.441 0.723) 5.489 11.607 ( -1.047 9.797 6.262) 11.674 11.819 ( 1.511 -9.448 -2.152) 9.807 12.140 ( -1.054 5.130 -0.766) 5.293 12.240 ( -3.927 -5.049 1.085) 6.488 12.297 ( -1.243 -0.530 1.736) 2.200 12.330 ( 1.821 -2.951 -3.345) 4.818 12.616 ( -0.739 7.933 -0.886) 8.017 12.748 ( -0.374 -2.977 -2.018) 3.616 13.128 ( 2.919 -0.219 -1.853) 3.464 13.191 ( 2.934 -4.838 -3.912) 6.879 13.386 ( 3.662 1.736 2.612) 4.821 13.469 ( 2.986 -6.511 -1.978) 7.431 13.952 ( -2.685 1.798 1.725) 3.663 13.992 ( -2.915 -2.182 0.117) 3.643 14.177 ( 4.315 5.033 -0.433) 6.643 14.288 ( 6.432 -5.751 4.996) 9.971 14.643 ( -3.163 1.046 -4.091) 5.276 14.674 ( -3.117 -2.091 -4.168) 5.609 15.405 ( -5.496 1.268 4.300) 7.093 15.430 ( -5.728 -1.261 4.064) 7.135 15.686 ( -4.316 3.700 -2.217) 6.102 15.757 ( -4.199 -3.510 -1.230) 5.609 18.958 ( -2.604 32.056 9.096) 33.424 19.481 ( -0.009 0.826 -8.760) 8.799 19.590 ( 3.396 -7.738 -1.821) 8.645 19.868 ( 1.722 -18.472 -3.945) 18.967 20.621 ( 0.600 4.438 0.410) 4.498 20.729 ( 1.487 -6.184 0.270) 6.366 21.161 ( 0.653 9.370 2.598) 9.746 21.328 ( 1.051 -6.761 0.062) 6.843 21.693 ( 11.246 8.965 0.648) 14.396 21.819 ( 18.483 -1.057 -1.898) 18.610 21.902 ( 15.410 2.022 0.367) 15.546 22.029 ( 13.802 -4.536 -3.372) 14.915 22.120 ( 0.466 -2.745 6.810) 7.357 22.270 ( 3.182 -12.293 4.215) 13.379 23.860 ( -4.284 0.776 -3.802) 5.780 23.913 ( -2.643 -4.351 -4.630) 6.881 24.463 ( -19.001 4.174 2.327) 19.593 24.526 ( -19.126 -1.833 2.385) 19.361 24.644 ( -12.484 1.825 -0.716) 12.637 24.709 ( -13.492 -5.277 -1.168) 14.534 25.656 ( 1.386 1.997 -0.971) 2.618 25.667 ( 1.159 0.830 -1.050) 1.771 25.744 ( -1.439 4.530 2.175) 5.227 25.806 ( -1.261 -1.638 1.824) 2.757 26.323 ( 3.720 2.475 -1.000) 4.579 26.368 ( 4.428 -2.010 -1.261) 5.024 26.742 ( 4.437 2.327 0.977) 5.105 26.779 ( 4.329 -1.451 0.194) 4.569 ======================= Grid point 94 (52/72) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -3.730 7.943 1.880) 8.975 1.492 ( 1.432 4.532 -1.122) 4.883 1.667 ( 6.267 6.492 -10.631) 13.944 1.808 ( 9.653 -8.888 -4.434) 13.850 1.915 ( -10.875 3.928 -4.408) 12.374 2.138 ( -13.178 -8.031 4.391) 16.044 2.187 ( -16.360 -2.293 1.703) 16.608 2.249 ( -17.957 -5.188 2.742) 18.892 2.623 ( 1.090 0.040 -8.619) 8.688 2.646 ( -0.668 -2.271 -7.252) 7.628 2.850 ( -10.913 4.990 1.479) 12.091 2.980 ( -11.874 -7.876 -0.253) 14.251 3.146 ( 1.437 3.726 0.116) 3.995 3.221 ( 2.959 5.898 -3.661) 7.546 3.274 ( -4.741 -7.646 6.605) 11.161 3.339 ( 3.464 -5.871 -4.378) 8.101 3.445 ( 2.541 3.661 -0.295) 4.466 3.560 ( 2.352 -6.994 0.289) 7.385 3.689 ( 4.122 2.133 -1.026) 4.753 3.747 ( 6.014 -3.777 -0.988) 7.170 3.851 ( -5.831 11.873 7.079) 15.003 4.055 ( -7.820 -2.449 4.702) 9.448 4.108 ( 2.318 3.902 0.437) 4.560 4.165 ( 1.395 -5.246 4.462) 7.027 4.227 ( 1.873 1.438 -0.256) 2.375 4.328 ( 2.064 -2.929 -2.269) 4.242 4.488 ( -5.020 4.529 3.266) 7.509 4.580 ( -0.224 -3.319 1.223) 3.544 4.658 ( -2.200 4.683 -1.900) 5.512 4.760 ( 6.068 -5.256 -7.594) 11.051 4.910 ( 0.771 4.919 4.740) 6.874 4.927 ( -1.593 5.381 2.817) 6.279 5.028 ( -0.609 -0.749 -0.708) 1.198 5.069 ( -1.690 -0.600 -1.359) 2.250 5.112 ( -1.838 -0.085 0.995) 2.091 5.181 ( -2.312 -3.798 2.092) 4.914 5.279 ( -3.279 7.162 2.689) 8.323 5.357 ( -0.507 -0.214 1.168) 1.291 5.457 ( -2.742 -0.420 -0.255) 2.786 5.506 ( 1.675 -4.420 -1.573) 4.982 5.584 ( -7.441 2.855 -5.807) 9.861 5.667 ( -3.669 -3.888 -9.330) 10.753 5.928 ( -0.633 5.109 2.074) 5.550 5.955 ( -3.988 6.988 2.309) 8.370 6.008 ( -1.050 -0.562 0.748) 1.406 6.142 ( -3.559 -3.538 -0.748) 5.074 6.176 ( 1.759 0.248 2.923) 3.420 6.234 ( -0.614 -3.994 1.991) 4.505 6.315 ( 1.809 -2.978 0.158) 3.488 6.376 ( -0.560 -7.780 0.742) 7.835 6.640 ( -1.794 5.540 5.885) 8.279 6.732 ( -0.765 -2.825 5.032) 5.822 6.865 ( 3.567 1.947 -4.002) 5.703 6.901 ( 4.860 -1.346 -3.296) 6.025 7.054 ( -6.265 3.050 -3.038) 7.601 7.084 ( -3.240 0.788 -3.501) 4.835 7.267 ( -3.496 -1.635 0.310) 3.871 7.281 ( -3.578 -3.649 -1.968) 5.477 7.529 ( -5.706 1.852 2.503) 6.501 7.563 ( -4.059 -1.411 2.426) 4.935 7.721 ( 1.012 1.722 0.205) 2.008 7.769 ( -3.235 -3.294 3.612) 5.862 7.960 ( -4.699 2.634 -8.992) 10.482 8.026 ( -10.457 -4.415 -7.318) 13.505 8.318 ( -3.593 5.877 7.814) 10.417 8.449 ( -5.401 -7.500 5.507) 10.758 8.974 ( 3.877 14.202 1.249) 14.774 9.140 ( 1.811 -2.565 -0.396) 3.165 9.766 ( 5.668 5.145 -2.165) 7.955 9.833 ( 5.421 -0.882 -0.816) 5.553 10.054 ( 3.434 4.098 1.250) 5.491 10.074 ( 2.643 -0.248 2.685) 3.776 10.184 ( 2.820 7.598 3.159) 8.698 10.324 ( 3.411 -5.200 3.174) 6.982 10.507 ( 4.027 -1.485 -2.418) 4.926 10.535 ( 5.456 -3.478 -1.375) 6.615 10.790 ( 5.618 4.908 0.313) 7.467 10.858 ( 3.891 -0.526 1.386) 4.164 10.963 ( 0.370 1.855 -0.285) 1.913 11.036 ( 0.284 -4.131 -4.722) 6.281 11.224 ( 1.785 1.962 0.348) 2.675 11.289 ( 1.364 -4.742 2.213) 5.408 11.613 ( -1.483 10.059 3.608) 10.789 11.832 ( 1.938 -9.445 -4.839) 10.788 12.107 ( -1.274 1.129 -1.323) 2.156 12.164 ( -3.850 -4.203 -0.386) 5.713 12.297 ( 0.140 2.045 2.170) 2.985 12.345 ( 1.232 -2.193 -1.555) 2.957 12.618 ( 1.116 6.721 -0.111) 6.814 12.711 ( -1.997 -1.158 -1.177) 2.592 13.168 ( 2.160 0.223 -1.980) 2.939 13.225 ( 2.774 -4.744 -3.961) 6.774 13.465 ( 2.825 0.285 1.721) 3.321 13.517 ( 2.484 -4.678 -0.863) 5.367 13.912 ( -2.272 0.194 2.271) 3.219 13.934 ( -2.678 -2.027 0.750) 3.442 14.280 ( 4.037 6.890 1.801) 8.186 14.418 ( 2.148 -6.976 2.246) 7.637 14.594 ( 2.059 0.852 -1.783) 2.854 14.618 ( 1.067 -1.745 -2.305) 3.082 15.330 ( -5.184 1.779 4.094) 6.841 15.357 ( -4.711 -0.999 4.374) 6.506 15.585 ( -3.490 3.332 -2.821) 5.589 15.649 ( -4.982 -3.180 -1.953) 6.225 18.957 ( -2.847 32.741 7.905) 33.802 19.426 ( 0.565 3.016 -10.045) 10.503 19.658 ( 4.550 -10.298 -1.511) 11.359 19.854 ( -1.307 -19.580 -2.441) 19.775 20.657 ( 2.654 2.876 0.240) 3.921 20.757 ( 0.540 -6.663 1.021) 6.762 21.198 ( 1.251 8.047 3.338) 8.801 21.347 ( 1.118 -6.939 -0.647) 7.058 21.841 ( 0.797 10.055 6.939) 12.243 22.061 ( 3.032 -9.539 1.621) 10.140 22.242 ( 20.912 0.838 -2.645) 21.095 22.286 ( 16.043 -3.680 0.073) 16.460 22.334 ( 16.429 3.031 0.023) 16.706 22.426 ( 9.786 -5.813 1.526) 11.485 23.642 ( -14.098 1.250 -8.322) 16.419 23.709 ( -14.644 -5.375 -9.109) 18.064 24.169 ( -12.826 2.263 6.438) 14.529 24.195 ( -16.527 -0.351 7.767) 18.265 24.436 ( -7.047 -0.153 -1.843) 7.286 24.453 ( -9.369 -2.075 -2.482) 9.912 25.673 ( 0.794 2.112 -0.439) 2.298 25.684 ( 0.984 0.983 -0.437) 1.458 25.733 ( -0.948 3.763 1.833) 4.291 25.786 ( -1.465 -1.410 1.022) 2.276 26.387 ( 2.961 2.667 -0.125) 3.987 26.437 ( 3.205 -2.237 -1.193) 4.086 26.823 ( 3.108 1.454 0.383) 3.453 26.849 ( 2.488 -1.192 -0.032) 2.759 ======================= Grid point 119 (53/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -4.843 0.000 -27.252) 27.679 1.112 ( 4.843 0.000 27.252) 27.679 1.448 ( 3.142 0.000 -27.484) 27.663 1.448 ( -3.142 0.000 27.484) 27.663 2.065 ( 4.017 0.000 -14.963) 15.493 2.065 ( -4.017 0.000 14.963) 15.493 2.372 ( 2.932 0.000 -18.349) 18.581 2.372 ( -2.932 0.000 18.349) 18.581 2.694 ( 9.598 0.000 -6.362) 11.515 2.694 ( -9.598 0.000 6.362) 11.515 3.064 ( -12.689 0.000 -3.260) 13.101 3.064 ( 12.689 0.000 3.260) 13.101 3.221 ( -2.958 0.000 -9.326) 9.784 3.221 ( 2.958 0.000 9.326) 9.784 3.411 ( 0.471 0.000 -2.019) 2.074 3.411 ( -0.471 0.000 2.019) 2.074 3.603 ( -5.845 0.000 -1.490) 6.032 3.603 ( 5.845 0.000 1.490) 6.032 3.669 ( -5.139 0.000 -1.320) 5.306 3.669 ( 5.139 0.000 1.320) 5.306 3.943 ( -4.629 0.000 -1.652) 4.915 3.943 ( 4.629 0.000 1.652) 4.915 3.982 ( 2.315 0.000 -1.845) 2.960 3.982 ( -2.315 0.000 1.845) 2.960 4.360 ( 6.689 0.000 -2.238) 7.054 4.360 ( -6.689 0.000 2.238) 7.054 4.502 ( -0.188 0.000 -3.094) 3.100 4.502 ( 0.188 0.000 3.094) 3.100 4.709 ( 9.283 0.000 -3.740) 10.008 4.709 ( -9.283 0.000 3.740) 10.008 4.747 ( -8.085 0.000 -1.709) 8.263 4.747 ( 8.085 0.000 1.709) 8.263 4.851 ( -6.221 0.000 0.541) 6.244 4.851 ( 6.221 0.000 -0.541) 6.244 5.108 ( 0.745 0.000 -2.285) 2.404 5.108 ( -0.745 0.000 2.285) 2.404 5.360 ( -2.182 0.000 -2.168) 3.076 5.360 ( 2.182 0.000 2.168) 3.076 5.449 ( 4.194 0.000 -12.315) 13.010 5.449 ( -4.194 0.000 12.315) 13.010 5.551 ( -0.726 0.000 -4.104) 4.168 5.551 ( 0.726 0.000 4.104) 4.168 5.890 ( 0.947 0.000 -4.079) 4.188 5.890 ( -0.947 0.000 4.079) 4.188 6.150 ( 1.976 0.000 -1.770) 2.653 6.150 ( -1.976 0.000 1.770) 2.653 6.244 ( 4.997 0.000 -11.484) 12.524 6.244 ( -4.997 0.000 11.484) 12.524 6.517 ( -2.520 0.000 -4.468) 5.129 6.517 ( 2.520 0.000 4.468) 5.129 6.794 ( -4.695 0.000 -1.097) 4.821 6.794 ( 4.695 0.000 1.097) 4.821 6.885 ( -2.614 0.000 -2.588) 3.678 6.885 ( 2.614 0.000 2.588) 3.678 7.234 ( -7.927 0.000 -3.251) 8.568 7.234 ( 7.927 0.000 3.251) 8.568 7.396 ( 7.965 0.000 -11.463) 13.959 7.396 ( -7.965 0.000 11.463) 13.959 7.456 ( -16.368 0.000 4.726) 17.037 7.456 ( 16.368 0.000 -4.726) 17.037 7.709 ( -20.360 0.000 -11.163) 23.219 7.709 ( 20.360 0.000 11.163) 23.219 7.889 ( 3.050 0.000 -3.437) 4.595 7.889 ( -3.050 0.000 3.437) 4.595 8.074 ( 2.448 0.000 -4.061) 4.742 8.074 ( -2.448 0.000 4.061) 4.742 8.805 ( -1.179 0.000 0.340) 1.227 8.805 ( 1.179 0.000 -0.340) 1.227 9.398 ( -1.484 0.000 -4.393) 4.637 9.398 ( 1.484 0.000 4.393) 4.637 9.816 ( -2.819 0.000 -0.041) 2.820 9.816 ( 2.819 0.000 0.041) 2.820 10.606 ( 3.032 0.000 -1.583) 3.420 10.606 ( -3.032 0.000 1.583) 3.420 10.665 ( -3.081 0.000 -0.391) 3.106 10.665 ( 3.081 0.000 0.391) 3.106 10.867 ( 1.117 0.000 -2.822) 3.035 10.867 ( -1.117 0.000 2.822) 3.035 10.968 ( -1.407 0.000 -1.288) 1.907 10.968 ( 1.407 0.000 1.288) 1.907 11.272 ( -2.995 0.000 0.238) 3.005 11.272 ( 2.995 0.000 -0.238) 3.005 11.537 ( 2.782 0.000 -9.135) 9.549 11.537 ( -2.782 0.000 9.135) 9.549 12.218 ( -1.216 0.000 -3.415) 3.625 12.218 ( 1.216 0.000 3.415) 3.625 12.396 ( -1.885 0.000 0.405) 1.928 12.396 ( 1.885 0.000 -0.405) 1.928 12.554 ( -6.870 0.000 1.003) 6.943 12.554 ( 6.870 0.000 -1.003) 6.943 13.266 ( 2.458 0.000 -6.443) 6.896 13.266 ( -2.458 0.000 6.443) 6.896 13.706 ( -0.239 0.000 -2.813) 2.823 13.706 ( 0.239 0.000 2.813) 2.823 14.122 ( -2.424 0.000 -2.019) 3.155 14.122 ( 2.424 0.000 2.019) 3.155 14.203 ( -7.335 0.000 -2.813) 7.856 14.203 ( 7.335 0.000 2.813) 7.856 14.919 ( 0.891 0.000 -3.046) 3.174 14.919 ( -0.891 0.000 3.046) 3.174 15.290 ( 3.063 0.000 -6.037) 6.770 15.290 ( -3.063 0.000 6.037) 6.770 15.628 ( -11.898 0.000 -0.272) 11.901 15.628 ( 11.898 0.000 0.272) 11.901 18.232 ( 7.661 0.000 -26.882) 27.952 18.232 ( -7.661 0.000 26.882) 27.952 20.321 ( -4.762 0.000 -6.619) 8.154 20.321 ( 4.762 0.000 6.619) 8.154 20.887 ( 4.192 0.000 -14.666) 15.253 20.887 ( -4.192 0.000 14.666) 15.253 21.239 ( -6.499 0.000 -5.513) 8.522 21.239 ( 6.499 0.000 5.513) 8.522 22.434 ( -7.982 0.000 -0.805) 8.022 22.434 ( 7.982 0.000 0.805) 8.022 22.513 ( -15.043 0.000 -1.648) 15.133 22.513 ( 15.043 0.000 1.648) 15.133 22.925 ( -30.208 0.000 -4.569) 30.552 22.925 ( 30.208 0.000 4.569) 30.552 23.302 ( 6.220 0.000 -5.603) 8.371 23.302 ( -6.220 0.000 5.603) 8.371 23.840 ( 6.751 0.000 -5.068) 8.442 23.840 ( -6.751 0.000 5.068) 8.442 24.450 ( -1.236 0.000 -5.597) 5.732 24.450 ( 1.236 0.000 5.597) 5.732 25.490 ( -0.420 0.000 -1.562) 1.617 25.490 ( 0.420 0.000 1.562) 1.617 25.645 ( 1.172 0.000 -1.634) 2.011 25.645 ( -1.172 0.000 1.634) 2.011 26.443 ( 1.751 0.000 -2.019) 2.673 26.443 ( -1.751 0.000 2.019) 2.673 26.833 ( 1.515 0.000 -2.957) 3.322 26.833 ( -1.515 0.000 2.957) 3.322 ======================= Grid point 121 (54/72) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 23.858 0.000 -18.518) 30.201 1.411 ( 10.831 0.000 -25.866) 28.042 1.531 ( 15.519 0.000 18.168) 23.894 1.619 ( 4.454 0.000 24.359) 24.763 2.173 ( 10.095 0.000 -3.639) 10.731 2.229 ( 9.566 0.000 16.198) 18.812 2.442 ( 16.252 0.000 -25.090) 29.894 2.515 ( 8.639 0.000 1.363) 8.746 2.697 ( 4.306 0.000 14.812) 15.425 2.727 ( -7.602 0.000 -3.320) 8.295 2.931 ( 3.425 0.000 -0.358) 3.443 3.118 ( -0.247 0.000 -7.732) 7.736 3.168 ( -10.275 0.000 6.796) 12.319 3.249 ( -15.208 0.000 2.921) 15.486 3.292 ( 2.530 0.000 7.617) 8.026 3.332 ( 0.624 0.000 -0.350) 0.716 3.541 ( -2.556 0.000 -2.034) 3.266 3.605 ( 4.499 0.000 2.050) 4.944 3.703 ( -1.723 0.000 4.824) 5.122 3.740 ( 2.802 0.000 -2.520) 3.769 3.918 ( 7.578 0.000 -4.136) 8.633 3.963 ( -1.371 0.000 -2.590) 2.931 4.094 ( 7.861 0.000 5.308) 9.485 4.161 ( 13.727 0.000 -4.749) 14.526 4.230 ( -9.963 0.000 7.759) 12.628 4.380 ( -5.036 0.000 -8.043) 9.490 4.439 ( -7.354 0.000 -1.909) 7.598 4.447 ( 1.580 0.000 -1.153) 1.956 4.596 ( -2.572 0.000 -0.544) 2.629 4.712 ( 4.448 0.000 0.654) 4.496 4.801 ( 3.601 0.000 -0.053) 3.601 4.865 ( 7.819 0.000 -4.435) 8.989 5.001 ( 7.831 0.000 -1.851) 8.047 5.023 ( 15.093 0.000 2.052) 15.232 5.092 ( -2.380 0.000 -4.358) 4.966 5.109 ( 1.080 0.000 -1.741) 2.048 5.249 ( -3.739 0.000 -1.355) 3.977 5.288 ( -4.893 0.000 -3.896) 6.254 5.366 ( -7.215 0.000 8.271) 10.976 5.468 ( 2.983 0.000 -2.833) 4.114 5.658 ( 6.972 0.000 3.145) 7.648 5.699 ( 7.234 0.000 3.064) 7.856 5.849 ( -0.688 0.000 -6.121) 6.159 5.855 ( -4.920 0.000 4.599) 6.735 6.130 ( -1.931 0.000 3.078) 3.634 6.133 ( -2.639 0.000 0.292) 2.656 6.257 ( 3.204 0.000 -8.785) 9.351 6.277 ( 1.009 0.000 11.161) 11.206 6.471 ( -1.095 0.000 -3.809) 3.963 6.629 ( 4.948 0.000 4.804) 6.896 6.718 ( -1.995 0.000 -3.055) 3.648 6.821 ( -3.540 0.000 0.420) 3.564 6.898 ( 3.469 0.000 -2.505) 4.279 6.951 ( 1.443 0.000 8.121) 8.249 7.082 ( -6.185 0.000 6.768) 9.169 7.111 ( -10.002 0.000 -1.301) 10.087 7.320 ( -2.775 0.000 7.792) 8.271 7.338 ( -8.908 0.000 -12.303) 15.189 7.428 ( -0.095 0.000 4.812) 4.813 7.450 ( 5.739 0.000 -10.750) 12.186 7.710 ( 9.236 0.000 -5.795) 10.904 7.816 ( 0.573 0.000 2.108) 2.184 8.035 ( 10.472 0.000 -5.758) 11.950 8.050 ( 0.602 0.000 7.652) 7.675 8.199 ( 15.106 0.000 -7.944) 17.068 8.468 ( 29.048 0.000 21.819) 36.330 8.771 ( -1.927 0.000 -1.403) 2.384 8.814 ( 1.126 0.000 -2.751) 2.973 9.377 ( 2.262 0.000 -3.236) 3.948 9.463 ( 2.272 0.000 3.666) 4.313 9.732 ( -5.961 0.000 0.471) 5.980 9.839 ( -0.560 0.000 0.297) 0.634 10.475 ( -11.724 0.000 -0.707) 11.745 10.521 ( -5.987 0.000 1.001) 6.070 10.596 ( -10.728 0.000 3.648) 11.331 10.656 ( -1.360 0.000 0.790) 1.573 10.840 ( -3.938 0.000 -0.575) 3.979 10.865 ( -0.908 0.000 -2.346) 2.516 10.942 ( -0.165 0.000 3.669) 3.673 10.946 ( -6.417 0.000 1.422) 6.573 11.209 ( -4.478 0.000 0.267) 4.486 11.347 ( 4.166 0.000 0.026) 4.166 11.541 ( 3.886 0.000 -10.221) 10.935 11.545 ( -1.869 0.000 9.492) 9.674 12.123 ( -5.128 0.000 -2.608) 5.753 12.191 ( -3.825 0.000 2.788) 4.734 12.405 ( 3.634 0.000 3.589) 5.107 12.447 ( 3.224 0.000 -0.772) 3.315 12.533 ( 3.203 0.000 2.359) 3.978 12.668 ( 5.053 0.000 -5.314) 7.333 13.276 ( -0.965 0.000 6.704) 6.773 13.294 ( 3.744 0.000 -5.235) 6.436 13.635 ( -4.445 0.000 -5.510) 7.080 13.685 ( -3.415 0.000 1.454) 3.712 14.008 ( -8.368 0.000 -0.956) 8.423 14.083 ( -0.321 0.000 -2.015) 2.041 14.232 ( 4.639 0.000 3.166) 5.616 14.342 ( 5.190 0.000 3.672) 6.358 14.807 ( -7.798 0.000 -5.273) 9.413 14.826 ( -6.389 0.000 -5.145) 8.203 15.328 ( 3.205 0.000 5.444) 6.318 15.340 ( 5.417 0.000 -5.315) 7.589 15.502 ( 2.080 0.000 -6.046) 6.394 15.838 ( 9.479 0.000 -4.283) 10.402 18.226 ( 8.410 0.000 -26.597) 27.895 18.250 ( -7.466 0.000 26.768) 27.789 20.182 ( -5.097 0.000 -6.752) 8.460 20.444 ( 3.394 0.000 8.112) 8.794 20.760 ( -16.467 0.000 13.183) 21.094 20.809 ( -1.504 0.000 -14.227) 14.307 21.155 ( 1.208 0.000 -3.661) 3.855 21.373 ( 1.715 0.000 6.667) 6.884 21.847 ( -24.504 0.000 -8.418) 25.910 22.127 ( -26.096 0.000 1.386) 26.133 22.227 ( -22.055 0.000 2.345) 22.180 22.299 ( -19.292 0.000 -1.078) 19.322 23.098 ( 12.977 0.000 -0.373) 12.982 23.165 ( 2.203 0.000 -2.067) 3.020 23.426 ( 17.445 0.000 3.837) 17.862 23.880 ( 23.093 0.000 3.733) 23.393 23.995 ( 23.061 0.000 9.335) 24.879 24.058 ( 12.079 0.000 -0.852) 12.109 24.476 ( 9.408 0.000 0.105) 9.408 24.568 ( 10.411 0.000 -1.763) 10.559 25.470 ( -0.694 0.000 -1.854) 1.979 25.509 ( 0.772 0.000 1.095) 1.340 25.635 ( -0.944 0.000 2.520) 2.691 25.650 ( 0.335 0.000 -2.296) 2.320 26.390 ( -4.740 0.000 1.427) 4.951 26.432 ( -1.606 0.000 -1.941) 2.519 26.784 ( -4.932 0.000 4.051) 6.383 26.791 ( -3.131 0.000 -4.605) 5.568 ======================= Grid point 122 (55/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 5.158 0.000 -0.934) 5.242 1.540 ( 17.074 0.000 -20.200) 26.449 1.845 ( 5.535 0.000 19.247) 20.027 1.860 ( 2.443 0.000 20.665) 20.808 2.293 ( 8.669 0.000 -1.590) 8.814 2.399 ( 0.258 0.000 -5.781) 5.787 2.513 ( -10.981 0.000 -1.879) 11.140 2.622 ( 5.502 0.000 -4.565) 7.149 2.727 ( 17.570 0.000 -16.839) 24.337 2.938 ( -1.592 0.000 -3.736) 4.061 2.970 ( 19.090 0.000 5.805) 19.953 3.040 ( -8.558 0.000 1.809) 8.747 3.121 ( 6.998 0.000 -0.235) 7.002 3.218 ( 4.575 0.000 6.994) 8.357 3.350 ( 0.748 0.000 8.923) 8.955 3.451 ( 9.256 0.000 7.958) 12.207 3.459 ( -1.096 0.000 -3.047) 3.238 3.630 ( -2.298 0.000 10.001) 10.262 3.791 ( 6.786 0.000 0.593) 6.812 3.827 ( 6.021 0.000 -5.624) 8.239 3.917 ( -0.569 0.000 -2.001) 2.080 4.081 ( -8.486 0.000 4.947) 9.823 4.085 ( -6.415 0.000 -9.639) 11.578 4.147 ( 11.922 0.000 0.096) 11.922 4.228 ( -2.099 0.000 -1.886) 2.821 4.336 ( 5.264 0.000 5.277) 7.453 4.430 ( 2.711 0.000 -3.476) 4.409 4.521 ( 11.968 0.000 -4.385) 12.746 4.579 ( 0.708 0.000 -0.576) 0.912 4.810 ( 0.502 0.000 4.604) 4.632 4.875 ( -2.155 0.000 -0.844) 2.315 4.912 ( 3.239 0.000 -5.458) 6.347 4.984 ( -0.190 0.000 1.826) 1.836 5.094 ( 1.107 0.000 -4.147) 4.292 5.161 ( 5.999 0.000 -13.672) 14.930 5.178 ( -2.258 0.000 1.084) 2.505 5.201 ( 1.032 0.000 2.518) 2.721 5.317 ( 0.072 0.000 4.995) 4.996 5.354 ( 10.491 0.000 1.077) 10.546 5.509 ( 1.065 0.000 3.012) 3.195 5.710 ( -3.718 0.000 -3.639) 5.202 5.775 ( -5.362 0.000 5.258) 7.510 5.814 ( 6.410 0.000 1.815) 6.662 5.896 ( 6.473 0.000 -5.638) 8.584 6.080 ( -5.548 0.000 2.802) 6.215 6.082 ( -3.344 0.000 1.459) 3.648 6.296 ( 5.505 0.000 -5.821) 8.012 6.368 ( 1.533 0.000 9.016) 9.145 6.408 ( -2.188 0.000 -3.358) 4.008 6.636 ( -1.845 0.000 -6.922) 7.163 6.716 ( -3.658 0.000 3.787) 5.265 6.795 ( 3.138 0.000 2.974) 4.323 6.837 ( -3.654 0.000 -0.839) 3.749 7.048 ( 1.024 0.000 8.835) 8.894 7.076 ( -0.733 0.000 6.321) 6.363 7.082 ( 5.013 0.000 -7.118) 8.706 7.219 ( 3.736 0.000 -6.769) 7.731 7.336 ( 0.151 0.000 8.872) 8.874 7.420 ( -1.904 0.000 1.916) 2.701 7.485 ( 3.774 0.000 -7.187) 8.118 7.785 ( 2.354 0.000 -3.167) 3.946 7.862 ( 2.329 0.000 0.135) 2.333 8.125 ( 2.386 0.000 7.979) 8.328 8.184 ( 9.205 0.000 -4.951) 10.452 8.517 ( 20.956 0.000 -11.058) 23.694 8.717 ( -1.833 0.000 -2.036) 2.739 8.792 ( 1.871 0.000 -3.095) 3.616 9.001 ( 10.106 0.000 16.906) 19.696 9.448 ( 5.572 0.000 -1.421) 5.751 9.521 ( 1.719 0.000 2.588) 3.107 9.594 ( -8.557 0.000 1.301) 8.655 9.797 ( -4.029 0.000 0.479) 4.058 10.208 ( -14.744 0.000 -2.493) 14.954 10.302 ( -14.867 0.000 -0.654) 14.881 10.465 ( -6.331 0.000 6.525) 9.092 10.573 ( -7.009 0.000 0.200) 7.012 10.725 ( -5.639 0.000 -3.194) 6.481 10.725 ( -12.121 0.000 -1.396) 12.201 10.817 ( -3.519 0.000 -3.466) 4.939 10.977 ( -1.502 0.000 2.114) 2.593 11.119 ( -3.633 0.000 4.642) 5.895 11.388 ( 0.536 0.000 -1.850) 1.926 11.567 ( 5.675 0.000 -11.542) 12.862 11.584 ( -0.635 0.000 10.859) 10.877 12.027 ( -3.090 0.000 -1.526) 3.446 12.130 ( -4.079 0.000 1.859) 4.483 12.503 ( 3.035 0.000 -0.836) 3.148 12.544 ( 4.662 0.000 2.044) 5.090 12.654 ( 2.287 0.000 17.035) 17.187 12.688 ( 1.031 0.000 -5.070) 5.174 13.296 ( -1.447 0.000 6.751) 6.904 13.303 ( -2.717 0.000 -0.295) 2.733 13.530 ( 0.619 0.000 -8.431) 8.453 13.611 ( -4.449 0.000 0.914) 4.542 13.899 ( -3.393 0.000 1.801) 3.842 14.060 ( -1.347 0.000 -1.915) 2.342 14.278 ( -0.119 0.000 -3.616) 3.618 14.462 ( 5.776 0.000 -1.266) 5.913 14.669 ( -6.157 0.000 -1.612) 6.365 14.724 ( 3.164 0.000 -2.137) 3.818 15.444 ( 4.937 0.000 4.046) 6.383 15.451 ( 8.143 0.000 -3.172) 8.739 15.557 ( 5.802 0.000 -5.310) 7.865 15.933 ( 2.770 0.000 -2.679) 3.854 18.233 ( 8.748 0.000 -26.347) 27.762 18.262 ( -7.824 0.000 25.794) 26.954 20.071 ( -1.773 0.000 -5.478) 5.758 20.471 ( -14.224 0.000 16.058) 21.452 20.598 ( 3.094 0.000 0.389) 3.118 20.704 ( -0.414 0.000 -11.629) 11.637 21.190 ( 3.418 0.000 -1.847) 3.885 21.298 ( -12.300 0.000 3.583) 12.811 21.574 ( -1.550 0.000 -4.268) 4.541 21.612 ( -26.400 0.000 0.764) 26.411 21.902 ( -18.244 0.000 -0.439) 18.250 21.933 ( -10.905 0.000 0.773) 10.932 23.183 ( -0.138 0.000 3.849) 3.852 23.186 ( 2.017 0.000 -4.027) 4.504 23.852 ( 17.516 0.000 2.879) 17.752 24.068 ( 3.196 0.000 -3.408) 4.672 24.234 ( 7.579 0.000 4.549) 8.840 24.406 ( 17.191 0.000 -3.173) 17.481 24.811 ( 15.839 0.000 -7.247) 17.418 24.869 ( 16.393 0.000 16.549) 23.294 25.436 ( -1.895 0.000 -1.562) 2.456 25.533 ( 1.222 0.000 0.218) 1.241 25.627 ( -0.854 0.000 -3.347) 3.454 25.644 ( -0.679 0.000 5.366) 5.408 26.290 ( -5.409 0.000 -0.152) 5.411 26.363 ( -4.126 0.000 -1.832) 4.515 26.694 ( -2.549 0.000 -6.147) 6.655 26.712 ( -4.906 0.000 4.452) 6.625 ======================= Grid point 123 (56/72) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -7.790 0.000 13.020) 15.172 1.794 ( 18.593 0.000 -15.597) 24.268 1.855 ( -14.900 0.000 0.482) 14.907 1.977 ( -1.230 0.000 18.521) 18.562 2.277 ( 1.481 0.000 6.556) 6.721 2.426 ( -0.355 0.000 -4.219) 4.233 2.486 ( 10.183 0.000 -14.573) 17.778 2.682 ( -8.768 0.000 -2.958) 9.253 2.794 ( 6.175 0.000 -7.305) 9.565 2.926 ( 4.623 0.000 14.827) 15.531 3.048 ( 12.219 0.000 -7.861) 14.529 3.130 ( -7.412 0.000 -4.333) 8.585 3.303 ( 7.148 0.000 -2.400) 7.540 3.390 ( -1.864 0.000 5.130) 5.459 3.402 ( 10.095 0.000 1.085) 10.153 3.509 ( 9.983 0.000 -0.362) 9.989 3.612 ( -3.952 0.000 7.492) 8.470 3.641 ( -8.690 0.000 15.387) 17.671 3.827 ( -5.127 0.000 -9.818) 11.076 3.873 ( 1.918 0.000 -7.347) 7.593 3.970 ( 8.349 0.000 -5.428) 9.958 3.980 ( 4.519 0.000 5.995) 7.507 4.016 ( 6.168 0.000 -0.902) 6.233 4.315 ( 12.234 0.000 4.264) 12.956 4.356 ( 1.254 0.000 -5.929) 6.060 4.444 ( 5.377 0.000 3.143) 6.229 4.519 ( 5.569 0.000 9.813) 11.283 4.626 ( 3.813 0.000 0.629) 3.865 4.660 ( -0.169 0.000 -3.651) 3.655 4.765 ( -3.162 0.000 1.132) 3.358 4.782 ( 0.471 0.000 -1.476) 1.549 4.948 ( -7.350 0.000 -1.550) 7.512 5.009 ( 6.580 0.000 -8.476) 10.731 5.025 ( -2.406 0.000 0.396) 2.439 5.164 ( 1.035 0.000 8.699) 8.760 5.235 ( 5.743 0.000 -6.217) 8.463 5.285 ( 5.127 0.000 -5.057) 7.201 5.344 ( -0.159 0.000 2.103) 2.109 5.505 ( 4.892 0.000 -2.512) 5.499 5.516 ( -3.295 0.000 5.558) 6.461 5.630 ( -1.121 0.000 -3.569) 3.741 5.703 ( -3.473 0.000 -1.225) 3.683 5.909 ( 0.059 0.000 5.366) 5.366 5.952 ( 1.827 0.000 -5.194) 5.506 5.969 ( -3.516 0.000 -0.894) 3.628 6.022 ( -4.029 0.000 4.170) 5.798 6.370 ( 0.729 0.000 0.335) 0.802 6.385 ( 4.351 0.000 -3.387) 5.514 6.420 ( -1.135 0.000 4.021) 4.178 6.538 ( -2.885 0.000 -6.623) 7.225 6.704 ( 1.410 0.000 2.218) 2.629 6.786 ( -1.421 0.000 -1.405) 1.998 6.893 ( 4.278 0.000 4.658) 6.324 7.088 ( 1.048 0.000 -1.589) 1.903 7.091 ( -1.504 0.000 7.674) 7.820 7.102 ( 0.681 0.000 -7.067) 7.100 7.331 ( 5.633 0.000 0.450) 5.651 7.399 ( -0.988 0.000 1.495) 1.792 7.442 ( 4.654 0.000 7.995) 9.251 7.534 ( 4.477 0.000 -1.113) 4.613 7.782 ( -0.292 0.000 -2.519) 2.536 7.872 ( -0.755 0.000 -3.404) 3.487 8.241 ( 5.235 0.000 5.934) 7.913 8.341 ( 9.523 0.000 -5.200) 10.850 8.612 ( -2.132 0.000 -1.573) 2.649 8.796 ( -0.759 0.000 -2.860) 2.959 8.902 ( 18.781 0.000 -6.871) 19.999 9.179 ( 0.993 0.000 9.818) 9.869 9.419 ( -5.116 0.000 -0.346) 5.128 9.555 ( 0.136 0.000 0.467) 0.486 9.564 ( 3.783 0.000 0.104) 3.784 9.702 ( -5.696 0.000 0.973) 5.778 9.905 ( -12.803 0.000 -2.847) 13.115 10.024 ( -13.202 0.000 0.497) 13.211 10.381 ( -6.820 0.000 7.037) 9.800 10.430 ( -6.567 0.000 -0.782) 6.613 10.525 ( -6.720 0.000 2.055) 7.027 10.598 ( -4.190 0.000 -7.026) 8.180 10.750 ( -0.391 0.000 -4.207) 4.225 10.868 ( -7.311 0.000 0.586) 7.335 11.175 ( 2.868 0.000 7.907) 8.411 11.357 ( -1.826 0.000 -3.703) 4.129 11.614 ( 6.216 0.000 -12.039) 13.549 11.635 ( -1.655 0.000 11.539) 11.657 11.991 ( -0.025 0.000 -0.702) 0.703 12.063 ( -3.478 0.000 0.643) 3.537 12.553 ( 2.559 0.000 -0.586) 2.626 12.595 ( 0.889 0.000 -0.201) 0.911 12.674 ( 1.006 0.000 -4.173) 4.293 12.730 ( -4.119 0.000 12.024) 12.710 13.242 ( -1.889 0.000 2.066) 2.799 13.293 ( -2.526 0.000 4.583) 5.233 13.531 ( 2.502 0.000 -7.443) 7.853 13.545 ( -3.151 0.000 2.710) 4.157 13.882 ( -0.162 0.000 3.362) 3.365 14.002 ( -2.713 0.000 -3.606) 4.512 14.270 ( 2.685 0.000 -2.716) 3.819 14.452 ( -3.021 0.000 -7.797) 8.362 14.675 ( 4.146 0.000 5.893) 7.205 14.798 ( 2.191 0.000 0.736) 2.311 15.544 ( 2.928 0.000 2.777) 4.036 15.558 ( 4.439 0.000 -4.331) 6.201 15.674 ( 8.124 0.000 0.051) 8.124 15.922 ( -2.507 0.000 -1.256) 2.804 18.243 ( 8.645 0.000 -25.888) 27.293 18.261 ( -8.173 0.000 25.139) 26.434 20.058 ( 2.966 0.000 -3.112) 4.299 20.278 ( -11.373 0.000 7.831) 13.809 20.679 ( 3.951 0.000 -6.458) 7.571 20.710 ( 5.896 0.000 1.646) 6.122 21.080 ( -10.499 0.000 0.593) 10.516 21.157 ( -20.310 0.000 1.322) 20.353 21.258 ( 4.778 0.000 -1.937) 5.156 21.503 ( -7.656 0.000 1.167) 7.744 21.685 ( -2.289 0.000 -1.743) 2.877 21.780 ( -5.828 0.000 0.361) 5.839 23.194 ( -1.167 0.000 4.641) 4.785 23.196 ( 1.690 0.000 -4.580) 4.882 24.035 ( 0.951 0.000 5.880) 5.956 24.066 ( 0.964 0.000 -5.769) 5.849 24.483 ( 13.215 0.000 4.568) 13.982 24.663 ( 10.073 0.000 -4.266) 10.940 25.042 ( 11.449 0.000 -5.590) 12.740 25.150 ( 5.298 0.000 7.962) 9.564 25.389 ( -1.629 0.000 0.707) 1.776 25.528 ( -2.305 0.000 -3.043) 3.818 25.606 ( 1.941 0.000 -2.705) 3.329 25.661 ( -1.907 0.000 7.038) 7.292 26.206 ( -2.703 0.000 -0.143) 2.707 26.266 ( -4.265 0.000 -1.794) 4.627 26.634 ( -0.150 0.000 -5.190) 5.192 26.654 ( -3.708 0.000 4.185) 5.591 ======================= Grid point 124 (57/72) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -8.743 0.000 -16.027) 18.256 1.515 ( 8.743 0.000 16.027) 18.256 1.999 ( 9.475 0.000 -16.719) 19.217 1.999 ( -9.475 0.000 16.719) 19.217 2.424 ( -8.582 0.000 -7.334) 11.289 2.424 ( 8.582 0.000 7.334) 11.289 2.473 ( -1.050 0.000 -13.087) 13.129 2.473 ( 1.050 0.000 13.087) 13.129 2.931 ( -8.385 0.000 -4.214) 9.385 2.931 ( 8.385 0.000 4.214) 9.385 3.220 ( -9.451 0.000 -12.472) 15.649 3.220 ( 9.451 0.000 12.472) 15.649 3.272 ( 14.826 0.000 -7.790) 16.748 3.272 ( -14.826 0.000 7.790) 16.748 3.503 ( -4.210 0.000 -0.178) 4.214 3.503 ( 4.210 0.000 0.178) 4.214 3.617 ( 1.460 0.000 -8.587) 8.710 3.617 ( -1.460 0.000 8.587) 8.710 3.793 ( -4.981 0.000 -1.344) 5.159 3.793 ( 4.981 0.000 1.344) 5.159 4.082 ( 2.749 0.000 -7.340) 7.838 4.082 ( -2.749 0.000 7.340) 7.838 4.217 ( -9.117 0.000 -5.313) 10.552 4.217 ( 9.117 0.000 5.313) 10.552 4.516 ( -5.273 0.000 -4.779) 7.116 4.516 ( 5.273 0.000 4.779) 7.116 4.583 ( -2.386 0.000 -0.770) 2.507 4.583 ( 2.386 0.000 0.770) 2.507 4.712 ( -4.886 0.000 -5.915) 7.672 4.712 ( 4.886 0.000 5.915) 7.672 4.876 ( -4.969 0.000 -4.227) 6.524 4.876 ( 4.969 0.000 4.227) 6.524 4.986 ( -0.562 0.000 -4.868) 4.901 4.986 ( 0.562 0.000 4.868) 4.901 5.245 ( 0.260 0.000 -9.960) 9.963 5.245 ( -0.260 0.000 9.960) 9.963 5.333 ( 2.502 0.000 -3.096) 3.981 5.333 ( -2.502 0.000 3.096) 3.981 5.533 ( 0.090 0.000 -6.280) 6.281 5.533 ( -0.090 0.000 6.280) 6.281 5.615 ( -1.327 0.000 -3.661) 3.894 5.615 ( 1.327 0.000 3.661) 3.894 5.909 ( 0.768 0.000 -3.353) 3.440 5.909 ( -0.768 0.000 3.353) 3.440 5.989 ( 3.918 0.000 -8.127) 9.022 5.989 ( -3.918 0.000 8.127) 9.022 6.390 ( -1.839 0.000 -0.021) 1.839 6.390 ( 1.839 0.000 0.021) 1.839 6.460 ( -2.901 0.000 -2.606) 3.900 6.460 ( 2.901 0.000 2.606) 3.900 6.752 ( -1.197 0.000 -2.665) 2.922 6.752 ( 1.197 0.000 2.665) 2.922 7.017 ( -5.038 0.000 -4.173) 6.542 7.017 ( 5.038 0.000 4.173) 6.542 7.098 ( 1.376 0.000 -3.392) 3.660 7.098 ( -1.376 0.000 3.392) 3.660 7.388 ( 1.581 0.000 -1.717) 2.334 7.388 ( -1.581 0.000 1.717) 2.334 7.565 ( -2.298 0.000 -4.084) 4.686 7.565 ( 2.298 0.000 4.084) 4.686 7.802 ( -3.074 0.000 -3.083) 4.354 7.802 ( 3.074 0.000 3.083) 4.354 8.373 ( -3.739 0.000 -4.555) 5.893 8.373 ( 3.739 0.000 4.555) 5.893 8.678 ( -8.620 0.000 -1.230) 8.707 8.678 ( 8.620 0.000 1.230) 8.707 9.145 ( 8.950 0.000 -5.246) 10.374 9.145 ( -8.950 0.000 5.246) 10.374 9.468 ( -6.762 0.000 -4.974) 8.394 9.468 ( 6.762 0.000 4.974) 8.394 9.615 ( 3.266 0.000 -3.118) 4.515 9.615 ( -3.266 0.000 3.118) 4.515 9.827 ( -5.785 0.000 0.357) 5.796 9.827 ( 5.785 0.000 -0.357) 5.796 10.340 ( -0.341 0.000 -4.195) 4.209 10.340 ( 0.341 0.000 4.195) 4.209 10.501 ( -0.446 0.000 -7.217) 7.231 10.501 ( 0.446 0.000 7.217) 7.231 10.764 ( 4.148 0.000 -3.050) 5.148 10.764 ( -4.148 0.000 3.050) 5.148 11.278 ( -3.096 0.000 -5.969) 6.724 11.278 ( 3.096 0.000 5.969) 6.724 11.648 ( 4.427 0.000 -11.882) 12.680 11.648 ( -4.427 0.000 11.882) 12.680 12.010 ( -2.154 0.000 0.310) 2.177 12.010 ( 2.154 0.000 -0.310) 2.177 12.590 ( -1.346 0.000 0.292) 1.377 12.590 ( 1.346 0.000 -0.292) 1.377 12.691 ( 3.746 0.000 -5.225) 6.429 12.691 ( -3.746 0.000 5.225) 6.429 13.258 ( -1.989 0.000 -0.256) 2.006 13.258 ( 1.989 0.000 0.256) 2.006 13.526 ( 1.848 0.000 -6.281) 6.548 13.526 ( -1.848 0.000 6.281) 6.548 13.927 ( -2.080 0.000 -4.595) 5.044 13.927 ( 2.080 0.000 4.595) 5.044 14.343 ( -4.313 0.000 -2.679) 5.077 14.343 ( 4.313 0.000 2.679) 5.077 14.782 ( -3.090 0.000 -2.487) 3.967 14.782 ( 3.090 0.000 2.487) 3.967 15.584 ( 0.618 0.000 -2.947) 3.012 15.584 ( -0.618 0.000 2.947) 3.012 15.826 ( -6.450 0.000 -1.125) 6.547 15.826 ( 6.450 0.000 1.125) 6.547 18.253 ( 8.431 0.000 -25.321) 26.688 18.253 ( -8.431 0.000 25.321) 26.688 20.136 ( 6.978 0.000 -3.683) 7.890 20.136 ( -6.978 0.000 3.683) 7.890 20.772 ( -5.089 0.000 1.274) 5.246 20.772 ( 5.089 0.000 -1.274) 5.246 20.932 ( -1.213 0.000 -1.726) 2.109 20.932 ( 1.213 0.000 1.726) 2.109 21.359 ( -6.794 0.000 1.186) 6.897 21.359 ( 6.794 0.000 -1.186) 6.897 21.700 ( -3.040 0.000 0.816) 3.148 21.700 ( 3.040 0.000 -0.816) 3.148 23.197 ( 1.429 0.000 -4.769) 4.979 23.197 ( -1.429 0.000 4.769) 4.979 24.055 ( 1.549 0.000 -6.085) 6.279 24.055 ( -1.549 0.000 6.085) 6.279 24.695 ( -3.901 0.000 -5.440) 6.694 24.695 ( 3.901 0.000 5.440) 6.694 25.175 ( 5.043 0.000 -3.597) 6.195 25.175 ( -5.043 0.000 3.597) 6.195 25.433 ( -4.002 0.000 -3.980) 5.644 25.433 ( 4.002 0.000 3.980) 5.644 25.644 ( 3.432 0.000 -4.843) 5.936 25.644 ( -3.432 0.000 4.843) 5.936 26.197 ( -1.487 0.000 -1.245) 1.940 26.197 ( 1.487 0.000 1.245) 1.940 26.624 ( 2.006 0.000 -4.303) 4.747 26.624 ( -2.006 0.000 4.303) 4.747 ======================= Grid point 129 (58/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -7.885 2.767 -18.085) 19.922 1.147 ( 7.885 2.767 18.085) 19.922 1.367 ( 4.876 -3.471 -21.908) 22.711 1.367 ( -4.876 -3.471 21.908) 22.711 2.134 ( 3.444 4.324 -8.125) 9.827 2.134 ( -3.444 4.324 8.125) 9.827 2.400 ( 5.396 0.207 -18.823) 19.583 2.400 ( -5.396 0.207 18.823) 19.583 2.653 ( 10.274 -2.937 -5.102) 11.841 2.653 ( -10.274 -2.937 5.102) 11.841 2.996 ( -1.071 -5.427 -3.179) 6.381 2.996 ( 1.071 -5.427 3.179) 6.381 3.173 ( -2.888 -8.927 -3.115) 9.886 3.173 ( 2.888 -8.927 3.115) 9.886 3.403 ( 2.251 1.970 -7.687) 8.248 3.403 ( -2.251 1.970 7.687) 8.248 3.563 ( -4.857 1.257 -3.187) 5.943 3.563 ( 4.857 1.257 3.187) 5.943 3.683 ( -3.377 0.889 -5.393) 6.425 3.683 ( 3.377 0.889 5.393) 6.425 3.985 ( -0.992 -0.077 -5.299) 5.392 3.985 ( 0.992 -0.077 5.299) 5.392 4.038 ( -0.509 4.419 -3.688) 5.778 4.038 ( 0.509 4.419 3.688) 5.778 4.344 ( 1.414 -3.226 -8.714) 9.399 4.344 ( -1.414 -3.226 8.714) 9.399 4.459 ( 3.092 1.452 -3.373) 4.801 4.459 ( -3.092 1.452 3.373) 4.801 4.766 ( -7.522 1.792 -0.622) 7.757 4.766 ( 7.522 1.792 0.622) 7.757 4.817 ( -0.573 5.922 -0.888) 6.016 4.817 ( 0.573 5.922 0.888) 6.016 4.866 ( 1.834 3.146 -3.142) 4.810 4.866 ( -1.834 3.146 3.142) 4.810 5.073 ( 0.124 -2.713 -2.970) 4.025 5.073 ( -0.124 -2.713 2.970) 4.025 5.344 ( 1.108 -2.436 -2.560) 3.703 5.344 ( -1.108 -2.436 2.560) 3.703 5.422 ( 4.133 -1.239 -9.757) 10.668 5.422 ( -4.133 -1.239 9.757) 10.668 5.576 ( -6.746 1.746 -0.782) 7.012 5.576 ( 6.746 1.746 0.782) 7.012 5.894 ( 0.401 0.253 -3.938) 3.966 5.894 ( -0.401 0.253 3.938) 3.966 6.113 ( 4.620 -2.685 -7.094) 8.881 6.113 ( -4.620 -2.685 7.094) 8.881 6.254 ( 0.015 0.612 -5.981) 6.012 6.254 ( -0.015 0.612 5.981) 6.012 6.521 ( -3.390 0.598 -2.191) 4.081 6.521 ( 3.390 0.598 2.191) 4.081 6.719 ( 0.053 -5.831 -6.096) 8.435 6.719 ( -0.053 -5.831 6.096) 8.435 6.919 ( 1.094 1.341 -4.411) 4.738 6.919 ( -1.094 1.341 4.411) 4.738 7.177 ( -6.861 -5.411 0.376) 8.746 7.177 ( 6.861 -5.411 -0.376) 8.746 7.298 ( 2.153 -3.874 -8.880) 9.925 7.298 ( -2.153 -3.874 8.880) 9.925 7.500 ( 0.352 0.844 -1.930) 2.136 7.500 ( -0.352 0.844 1.930) 2.136 7.712 ( -18.475 0.092 -4.648) 19.051 7.712 ( 18.475 0.092 4.648) 19.051 7.875 ( 1.578 -1.248 -2.587) 3.277 7.875 ( -1.578 -1.248 2.587) 3.277 8.218 ( 3.895 10.489 -3.698) 11.785 8.218 ( -3.895 10.489 3.698) 11.785 8.823 ( -0.395 3.311 -4.865) 5.898 8.823 ( 0.395 3.311 4.865) 5.898 9.482 ( -2.012 7.961 -2.737) 8.656 9.482 ( 2.012 7.961 2.737) 8.656 9.888 ( -0.999 6.347 -2.291) 6.821 9.888 ( 0.999 6.347 2.291) 6.821 10.567 ( -0.125 -3.251 -4.255) 5.356 10.567 ( 0.125 -3.251 4.255) 5.356 10.613 ( 1.864 -4.708 -3.246) 6.015 10.613 ( -1.864 -4.708 3.246) 6.015 10.851 ( 3.183 -0.884 -3.237) 4.625 10.851 ( -3.183 -0.884 3.237) 4.625 11.001 ( 0.010 1.755 -1.903) 2.589 11.001 ( -0.010 1.755 1.903) 2.589 11.274 ( -1.974 0.261 -2.123) 2.910 11.274 ( 1.974 0.261 2.123) 2.910 11.579 ( 3.564 3.763 -9.850) 11.131 11.579 ( -3.564 3.763 9.850) 11.131 12.231 ( -1.841 0.696 -2.881) 3.489 12.231 ( 1.841 0.696 2.881) 3.489 12.344 ( 0.028 -3.761 -1.249) 3.963 12.344 ( -0.028 -3.761 1.249) 3.963 12.566 ( -2.688 0.821 0.204) 2.818 12.566 ( 2.688 0.821 -0.204) 2.818 13.279 ( 2.766 0.478 -6.191) 6.798 13.279 ( -2.766 0.478 6.191) 6.798 13.672 ( -0.078 -3.349 -2.778) 4.352 13.672 ( 0.078 -3.349 2.778) 4.352 14.056 ( -3.102 -4.712 -0.820) 5.701 14.056 ( 3.102 -4.712 0.820) 5.701 14.252 ( -5.474 3.192 -5.270) 8.242 14.252 ( 5.474 3.192 5.270) 8.242 14.880 ( 0.534 -3.740 -2.196) 4.369 14.880 ( -0.534 -3.740 2.196) 4.369 15.291 ( 2.041 0.154 -5.094) 5.489 15.291 ( -2.041 0.154 5.094) 5.489 15.594 ( -8.791 -2.555 -2.236) 9.424 15.594 ( 8.791 -2.555 2.236) 9.424 18.356 ( 7.414 12.413 -25.156) 29.015 18.356 ( -7.414 12.413 25.156) 29.015 20.228 ( -4.396 -7.537 -7.462) 11.481 20.228 ( 4.396 -7.537 7.462) 11.481 20.980 ( 4.259 4.646 -13.271) 14.692 20.980 ( -4.259 4.646 13.271) 14.692 21.235 ( -5.136 0.372 -7.769) 9.320 21.235 ( 5.136 0.372 7.769) 9.320 22.298 ( -20.894 -17.541 -2.115) 27.363 22.298 ( 20.894 -17.541 2.115) 27.363 22.479 ( -3.732 -0.720 -0.363) 3.818 22.479 ( 3.732 -0.720 0.363) 3.818 22.648 ( -19.261 -7.940 -1.897) 20.919 22.648 ( 19.261 -7.940 1.897) 20.919 23.467 ( -4.077 1.763 -4.327) 6.201 23.467 ( 4.077 1.763 4.327) 6.201 23.971 ( 3.840 11.455 -9.096) 15.123 23.971 ( -3.840 11.455 9.096) 15.123 24.392 ( -0.539 -4.772 -6.546) 8.119 24.392 ( 0.539 -4.772 6.546) 8.119 25.529 ( -0.253 3.775 -1.557) 4.091 25.529 ( 0.253 3.775 1.557) 4.091 25.675 ( -0.210 2.663 -1.660) 3.145 25.675 ( 0.210 2.663 1.660) 3.145 26.445 ( 0.747 0.110 -3.263) 3.349 26.445 ( -0.747 0.110 3.263) 3.349 26.843 ( 0.600 0.779 -2.094) 2.314 26.843 ( -0.600 0.779 2.094) 2.314 ======================= Grid point 131 (59/72) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 17.382 -2.302 -10.858) 20.623 1.399 ( 4.341 -5.150 4.819) 8.282 1.449 ( 14.934 2.229 -9.080) 17.620 1.730 ( 22.420 3.782 15.595) 27.571 2.140 ( 1.818 0.497 5.759) 6.060 2.304 ( 9.665 3.485 0.578) 10.290 2.409 ( 2.322 -8.462 -6.412) 10.869 2.492 ( 11.419 -0.700 -8.575) 14.298 2.640 ( 7.543 -4.348 2.998) 9.208 2.747 ( -4.840 1.520 2.449) 5.633 2.887 ( 2.090 -1.961 1.550) 3.259 2.936 ( -7.195 -13.076 -2.142) 15.077 3.121 ( -1.029 -2.985 1.376) 3.445 3.312 ( 4.129 0.301 5.688) 7.035 3.339 ( -4.834 6.584 0.135) 8.169 3.436 ( -1.297 5.097 4.645) 7.017 3.543 ( 1.649 -5.951 -0.847) 6.233 3.562 ( 2.575 -1.165 -0.682) 2.908 3.617 ( -2.651 2.603 -0.282) 3.726 3.711 ( -1.152 -3.459 0.976) 3.774 3.928 ( 3.282 3.010 -2.878) 5.303 4.003 ( 1.140 0.298 3.758) 3.939 4.155 ( 7.145 -1.935 -3.948) 8.390 4.169 ( 5.599 1.332 -0.512) 5.777 4.301 ( -0.720 3.083 -5.403) 6.262 4.334 ( -4.485 -4.693 2.733) 7.043 4.378 ( -4.549 4.590 5.959) 8.790 4.479 ( -0.286 2.551 -0.772) 2.680 4.590 ( -4.001 0.038 -5.201) 6.562 4.754 ( 0.698 -0.741 -2.146) 2.375 4.818 ( 2.297 3.611 0.014) 4.280 4.907 ( 4.218 3.312 -0.914) 5.440 4.987 ( 7.796 -0.640 -5.133) 9.356 5.030 ( -2.096 -5.247 -2.562) 6.204 5.064 ( 12.641 3.842 0.205) 13.214 5.118 ( 4.250 1.914 -1.130) 4.796 5.272 ( -5.614 -0.032 5.101) 7.586 5.290 ( -1.060 2.289 -2.529) 3.571 5.396 ( -5.448 1.457 2.436) 6.143 5.461 ( 2.368 -0.092 -0.854) 2.518 5.598 ( 7.762 -5.174 2.846) 9.753 5.732 ( 8.456 1.313 -0.860) 8.601 5.855 ( -2.196 1.954 -2.817) 4.071 5.873 ( -4.169 0.777 4.479) 6.168 6.091 ( -1.720 -2.183 5.730) 6.368 6.134 ( -0.970 -0.297 -0.842) 1.319 6.221 ( 3.207 -0.853 -7.838) 8.512 6.300 ( -0.065 -1.663 1.018) 1.951 6.466 ( -1.720 2.347 1.058) 3.096 6.615 ( 3.714 -1.650 3.414) 5.308 6.660 ( -2.030 -5.322 -2.300) 6.143 6.758 ( -1.011 -7.211 6.623) 9.844 6.921 ( -0.870 -1.878 2.538) 3.275 6.940 ( 3.814 3.066 -3.962) 6.296 7.032 ( -6.116 -0.544 -0.237) 6.144 7.132 ( -4.128 -1.108 2.000) 4.719 7.298 ( -3.310 -0.564 -3.504) 4.854 7.355 ( -0.146 -0.362 -0.763) 0.857 7.427 ( -1.616 0.602 5.790) 6.042 7.530 ( 5.444 5.065 -7.277) 10.404 7.672 ( 9.150 -2.630 -2.865) 9.942 7.810 ( -0.014 -0.566 2.100) 2.175 8.006 ( 9.426 -2.282 -0.967) 9.747 8.171 ( -1.144 9.790 3.967) 10.625 8.188 ( 16.084 -3.212 -0.909) 16.427 8.407 ( 16.635 -3.139 5.636) 17.842 8.799 ( 1.186 2.387 -3.663) 4.530 8.870 ( 2.471 6.347 3.043) 7.460 9.442 ( -0.207 6.266 -1.418) 6.428 9.537 ( 1.601 7.579 2.494) 8.138 9.806 ( -5.871 6.675 -0.956) 8.941 9.893 ( -1.859 4.758 1.104) 5.226 10.406 ( -11.413 -5.178 -2.898) 12.863 10.510 ( -4.954 -2.460 4.773) 7.305 10.556 ( -9.045 -3.120 -0.448) 9.579 10.656 ( 0.813 -1.504 0.795) 1.886 10.760 ( -7.530 -3.979 1.435) 8.637 10.857 ( -1.008 -0.518 -2.283) 2.549 10.969 ( -0.659 1.882 3.158) 3.734 10.985 ( -4.874 1.709 -0.764) 5.221 11.213 ( -3.980 0.180 -0.297) 3.995 11.345 ( 2.914 -0.072 1.570) 3.311 11.583 ( -2.084 3.341 10.167) 10.903 11.595 ( 4.641 4.580 -10.692) 12.523 12.132 ( -5.348 0.492 -1.983) 5.726 12.198 ( -4.895 1.192 2.122) 5.467 12.377 ( 4.069 -5.687 0.806) 7.039 12.387 ( 4.356 -1.628 1.665) 4.939 12.564 ( 1.997 2.564 1.388) 3.534 12.640 ( 3.601 -2.451 -3.840) 5.807 13.276 ( -1.264 -0.635 6.444) 6.598 13.307 ( 2.606 0.391 -4.174) 4.936 13.610 ( -3.352 -2.445 -5.402) 6.811 13.649 ( -3.500 -3.462 1.525) 5.154 14.001 ( -3.309 -1.283 0.648) 3.607 14.091 ( -2.566 -0.028 -2.640) 3.681 14.160 ( 2.244 -3.750 -0.845) 4.451 14.380 ( 4.486 2.129 5.952) 7.751 14.748 ( -6.721 -4.307 -4.364) 9.098 14.811 ( -5.960 -2.587 -5.590) 8.571 15.319 ( 5.262 0.409 1.363) 5.451 15.388 ( 4.591 3.216 -0.959) 5.687 15.494 ( 2.305 -0.674 -5.484) 5.987 15.783 ( 8.695 -4.909 -1.001) 10.035 18.354 ( 7.522 12.727 -23.142) 27.461 18.371 ( -6.283 12.264 23.120) 26.915 20.097 ( -4.450 -7.169 -5.483) 10.063 20.358 ( 3.530 -6.803 8.245) 11.258 20.819 ( -13.321 2.938 4.283) 14.298 20.954 ( -3.557 10.050 -10.846) 15.208 21.132 ( 0.092 -2.072 -0.563) 2.149 21.358 ( 0.699 -1.386 6.861) 7.035 21.785 ( -20.854 -4.674 -5.931) 22.179 22.122 ( -24.914 -2.241 3.961) 25.326 22.190 ( -18.213 -1.351 -0.649) 18.275 22.306 ( -17.971 0.272 -1.741) 18.057 22.768 ( 14.006 -19.718 -2.188) 24.285 22.900 ( 4.402 -19.011 3.603) 19.844 23.569 ( 14.186 4.099 1.782) 14.873 23.833 ( 20.416 -4.206 2.628) 21.010 24.127 ( 10.270 6.849 -4.339) 13.085 24.179 ( 15.302 10.417 5.887) 19.425 24.415 ( 9.392 -4.535 1.661) 10.561 24.533 ( 12.890 -3.578 -0.688) 13.395 25.512 ( -0.577 4.130 -1.599) 4.466 25.544 ( 0.464 3.358 1.002) 3.535 25.645 ( -1.471 1.878 -0.308) 2.406 25.701 ( 0.885 3.626 0.861) 3.830 26.391 ( -3.927 0.161 -1.249) 4.124 26.437 ( -1.983 0.166 -0.057) 1.991 26.787 ( -4.247 0.742 0.231) 4.318 26.817 ( -3.471 1.620 0.187) 3.835 ======================= Grid point 132 (60/72) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 17.280 0.475 -9.044) 19.510 1.507 ( -5.429 -16.226 20.468) 26.678 1.639 ( 10.035 6.031 -7.244) 13.768 2.115 ( 5.784 6.569 9.288) 12.762 2.192 ( 1.402 -9.495 1.435) 9.705 2.290 ( -4.186 -11.197 -6.078) 13.410 2.491 ( 7.207 1.591 5.148) 8.999 2.643 ( -1.355 1.445 -6.827) 7.109 2.735 ( 14.025 0.521 -13.079) 19.184 2.840 ( 3.495 -7.741 3.003) 9.009 2.901 ( -0.593 -5.237 -1.681) 5.533 3.021 ( 14.766 -1.255 10.211) 17.997 3.183 ( 9.048 4.390 -4.180) 10.891 3.284 ( 1.308 3.517 0.554) 3.793 3.395 ( -0.340 2.070 3.908) 4.435 3.458 ( 2.957 -0.213 6.332) 6.992 3.499 ( 1.229 7.481 -3.192) 8.225 3.630 ( -0.858 0.042 7.447) 7.496 3.689 ( 6.258 -6.468 0.050) 9.000 3.779 ( 9.415 -2.842 -2.728) 10.206 3.982 ( -0.673 3.395 0.737) 3.539 4.038 ( -2.823 -4.298 -4.009) 6.520 4.104 ( -1.258 0.662 -8.878) 8.991 4.167 ( -2.587 1.005 8.288) 8.740 4.253 ( -0.780 -1.636 2.338) 2.958 4.392 ( 5.443 6.262 2.970) 8.813 4.427 ( 6.534 -0.822 1.352) 6.723 4.451 ( -0.941 1.209 -1.234) 1.967 4.596 ( 5.032 0.724 -4.773) 6.974 4.790 ( 3.942 -9.022 -4.322) 10.753 4.865 ( 1.528 0.077 1.032) 1.845 4.916 ( -3.316 -0.439 -5.405) 6.356 4.996 ( 2.886 0.872 2.309) 3.797 5.036 ( -1.214 1.338 1.266) 2.206 5.186 ( 1.064 0.818 -1.189) 1.793 5.200 ( 8.479 3.937 -11.234) 14.615 5.278 ( 0.233 3.389 -0.312) 3.412 5.290 ( -4.884 -2.782 3.655) 6.704 5.386 ( 9.632 3.639 0.790) 10.327 5.521 ( 2.043 1.712 5.160) 5.808 5.726 ( 0.436 -0.438 -0.259) 0.670 5.775 ( -3.926 0.634 1.556) 4.270 5.841 ( 2.840 2.661 1.731) 4.260 5.880 ( 5.422 -0.613 -3.444) 6.453 6.078 ( -4.414 0.380 1.933) 4.834 6.101 ( -1.576 1.516 1.550) 2.680 6.240 ( 2.690 -3.105 -3.698) 5.527 6.294 ( 3.414 -4.479 -4.309) 7.091 6.472 ( -0.136 3.996 4.504) 6.023 6.619 ( -1.775 -2.876 -1.103) 3.555 6.690 ( 0.690 -5.038 5.636) 7.591 6.749 ( -3.050 -1.717 4.081) 5.376 6.861 ( -4.635 -2.237 -1.678) 5.414 6.984 ( 1.249 0.386 1.402) 1.917 7.003 ( 4.324 -3.645 -7.688) 9.544 7.140 ( -1.164 1.746 6.380) 6.716 7.212 ( 3.513 -1.117 -6.038) 7.074 7.396 ( 2.101 5.414 6.408) 8.648 7.458 ( 0.132 3.098 4.517) 5.479 7.593 ( 4.978 6.916 -6.192) 10.533 7.787 ( 4.084 0.208 -2.526) 4.807 7.864 ( 3.692 0.439 -0.000) 3.718 8.144 ( 2.283 1.947 7.202) 7.802 8.243 ( 7.221 5.379 -2.629) 9.380 8.420 ( 16.595 -7.156 -10.396) 20.848 8.650 ( 3.423 -5.132 -1.818) 6.431 8.841 ( 3.300 0.706 1.558) 3.717 9.018 ( 7.810 2.423 9.844) 12.798 9.467 ( 3.000 2.514 0.215) 3.919 9.566 ( -0.291 5.610 2.036) 5.975 9.654 ( -8.949 5.125 -0.792) 10.343 9.835 ( -4.443 3.812 0.386) 5.867 10.138 ( -13.589 -5.059 -3.755) 14.978 10.301 ( -15.145 -1.810 -0.180) 15.254 10.451 ( -5.186 -0.618 5.827) 7.825 10.577 ( -9.472 -1.260 0.168) 9.557 10.629 ( -4.273 -3.487 -1.675) 5.764 10.780 ( -6.853 0.829 -2.517) 7.347 10.823 ( -7.122 0.989 -2.794) 7.714 11.002 ( -0.858 2.151 2.268) 3.241 11.122 ( -3.758 0.335 3.469) 5.125 11.381 ( 0.639 -0.551 -0.892) 1.228 11.618 ( 1.105 4.105 3.722) 5.651 11.633 ( 3.918 4.179 -4.221) 7.116 12.033 ( -3.428 0.707 -1.370) 3.759 12.119 ( -4.451 -0.243 1.663) 4.757 12.459 ( 4.398 -3.978 -1.105) 6.032 12.541 ( 5.638 -2.786 6.970) 9.388 12.613 ( 0.346 -1.172 5.443) 5.578 12.655 ( 0.749 -2.538 -2.186) 3.432 13.282 ( -3.185 -2.041 3.343) 5.048 13.308 ( -1.602 -0.350 4.233) 4.539 13.522 ( -0.014 -0.957 -8.785) 8.837 13.577 ( -3.976 -3.206 0.668) 5.151 13.931 ( -3.463 3.108 1.541) 4.902 14.040 ( -1.444 -1.540 -1.953) 2.876 14.190 ( 1.447 -6.952 -3.741) 8.026 14.501 ( 4.966 2.511 1.831) 5.858 14.636 ( -6.855 -3.240 -3.214) 8.235 14.703 ( 3.486 -2.007 -1.658) 4.351 15.456 ( 5.216 1.047 -3.037) 6.126 15.470 ( 7.233 2.002 3.548) 8.301 15.557 ( 5.515 0.055 -5.275) 7.631 15.893 ( 3.150 -3.850 -0.624) 5.014 18.363 ( 7.416 12.899 -21.851) 26.436 18.387 ( -6.135 12.614 21.341) 25.538 20.012 ( -1.187 -5.535 -3.225) 6.515 20.422 ( -6.345 -5.350 10.957) 13.745 20.613 ( -4.175 1.944 -1.331) 4.794 20.817 ( -2.610 8.086 -9.649) 12.857 21.146 ( -0.434 -3.988 0.256) 4.019 21.304 ( -7.526 0.898 3.102) 8.189 21.515 ( -9.850 -2.527 -0.236) 10.172 21.686 ( -17.991 4.287 -0.748) 18.510 21.881 ( -15.096 -1.046 1.496) 15.206 21.957 ( -12.369 1.663 -1.907) 12.625 22.915 ( 4.736 -22.053 -3.144) 22.774 22.957 ( 0.354 -19.265 3.478) 19.580 23.868 ( 10.836 -1.147 4.213) 11.682 24.058 ( 2.488 -2.406 -2.013) 4.004 24.302 ( 12.607 6.319 -0.591) 14.114 24.451 ( 14.908 3.809 -0.932) 15.415 24.737 ( 16.907 -4.637 -1.642) 17.608 24.876 ( 16.180 -2.093 7.803) 18.085 25.484 ( -1.550 4.724 -1.274) 5.133 25.565 ( 1.442 2.940 0.497) 3.312 25.610 ( -2.098 1.122 -0.841) 2.523 25.721 ( 0.120 4.599 2.335) 5.159 26.292 ( -4.788 0.345 -1.780) 5.120 26.373 ( -4.285 0.555 -0.282) 4.330 26.701 ( -3.522 0.872 -2.320) 4.307 26.738 ( -4.692 1.910 1.667) 5.333 ======================= Grid point 133 (61/72) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -10.620 -12.243 16.233) 22.939 1.708 ( -7.901 -3.887 3.293) 9.401 1.744 ( 14.213 -3.988 -8.313) 16.942 2.046 ( -4.392 1.580 -1.498) 4.903 2.159 ( 2.801 -8.308 1.748) 8.939 2.382 ( 4.720 -0.434 4.320) 6.413 2.574 ( 0.763 -0.713 -8.882) 8.944 2.678 ( -2.824 -8.402 -11.665) 14.651 2.775 ( 1.781 5.683 3.565) 6.941 2.896 ( 5.546 -3.319 11.346) 13.058 2.953 ( 8.373 -1.582 -2.508) 8.882 3.250 ( -1.867 6.587 3.028) 7.486 3.309 ( 4.163 0.958 -0.102) 4.273 3.395 ( 3.165 1.036 -5.643) 6.552 3.429 ( 1.113 0.554 2.208) 2.535 3.496 ( 11.510 -0.188 -5.362) 12.699 3.605 ( 1.620 0.981 1.436) 2.377 3.665 ( -2.399 0.581 7.524) 7.919 3.795 ( 6.047 0.332 -0.810) 6.110 3.856 ( -4.963 -0.796 -7.036) 8.647 3.941 ( 1.339 -0.170 -0.844) 1.592 4.020 ( 5.787 1.772 4.189) 7.361 4.040 ( 2.437 -2.053 -1.128) 3.380 4.286 ( 6.770 -2.174 0.981) 7.178 4.361 ( -0.896 -2.502 0.021) 2.657 4.407 ( 7.288 -1.344 5.013) 8.947 4.491 ( 3.353 -0.483 1.860) 3.864 4.576 ( 2.364 0.531 4.284) 4.922 4.676 ( 4.222 0.582 -0.629) 4.308 4.772 ( -1.067 -0.450 -0.193) 1.174 4.868 ( -0.922 -4.054 -0.612) 4.202 4.908 ( 5.467 0.057 -3.677) 6.588 5.020 ( 1.810 0.472 -4.745) 5.100 5.060 ( -3.373 5.969 -1.718) 7.068 5.168 ( -1.761 0.334 3.680) 4.093 5.196 ( 1.395 -1.856 -3.680) 4.352 5.292 ( 4.023 1.097 -3.992) 5.773 5.321 ( 1.295 -2.218 0.314) 2.587 5.520 ( 2.709 2.064 2.383) 4.157 5.582 ( 1.121 3.711 4.990) 6.319 5.670 ( -2.336 4.391 -3.138) 5.881 5.717 ( -2.117 2.975 -3.772) 5.250 5.893 ( -2.335 -1.105 4.560) 5.241 5.921 ( 0.817 -2.254 -2.582) 3.524 5.996 ( -0.428 3.027 -1.217) 3.291 6.069 ( -3.126 3.900 2.123) 5.430 6.326 ( 6.027 -2.998 -0.362) 6.741 6.364 ( 4.698 -1.168 -2.552) 5.472 6.481 ( -2.261 3.252 4.815) 6.235 6.553 ( -2.410 1.092 -5.323) 5.944 6.709 ( -1.915 -6.957 6.316) 9.590 6.735 ( 0.125 2.834 1.364) 3.147 6.807 ( 0.635 -8.398 -0.074) 8.422 6.985 ( 0.124 -7.347 -9.323) 11.871 7.033 ( 1.610 -1.808 1.711) 2.965 7.122 ( -2.155 0.267 1.077) 2.424 7.338 ( 6.347 -0.407 5.039) 8.114 7.464 ( 0.744 4.842 0.609) 4.937 7.536 ( 4.864 6.593 7.433) 11.062 7.645 ( 3.634 7.744 -3.702) 9.321 7.809 ( 0.241 3.449 -1.381) 3.723 7.900 ( 0.150 3.493 -3.253) 4.776 8.260 ( 6.108 2.214 5.855) 8.745 8.370 ( 8.475 2.818 -5.577) 10.529 8.626 ( 0.120 0.623 -3.054) 3.119 8.661 ( 6.748 -8.015 -3.850) 11.163 8.965 ( 10.013 0.721 -1.114) 10.100 9.170 ( 1.512 -1.885 8.613) 8.946 9.448 ( -8.528 2.772 0.424) 8.978 9.539 ( 3.659 -0.480 0.210) 3.696 9.574 ( -1.631 1.581 -1.036) 2.497 9.728 ( -7.073 2.383 0.143) 7.465 9.872 ( -9.366 -1.748 -3.420) 10.123 10.019 ( -13.410 -0.890 0.946) 13.473 10.367 ( -6.224 -1.154 5.300) 8.256 10.427 ( -5.606 -0.128 0.314) 5.616 10.523 ( -4.937 0.066 -0.157) 4.939 10.595 ( -6.710 0.019 -4.519) 8.090 10.748 ( -0.163 -0.056 -2.843) 2.848 10.896 ( -7.284 2.458 -0.513) 7.705 11.179 ( 3.329 0.261 6.870) 7.639 11.359 ( -1.798 0.063 -2.726) 3.266 11.665 ( 3.870 4.424 -4.808) 7.594 11.682 ( 0.566 3.827 4.413) 5.868 11.990 ( -0.551 0.289 -0.548) 0.829 12.049 ( -3.378 -0.622 0.574) 3.483 12.531 ( 3.701 -2.103 -1.043) 4.383 12.609 ( -0.134 1.255 0.160) 1.272 12.626 ( 0.934 -4.898 -1.599) 5.236 12.672 ( -2.364 -4.548 7.995) 9.497 13.228 ( -2.156 -1.572 2.905) 3.945 13.294 ( -2.856 -0.600 3.329) 4.427 13.493 ( -0.675 -3.260 -0.155) 3.333 13.524 ( -0.242 -2.447 -4.860) 5.447 13.903 ( -0.467 2.139 1.940) 2.925 13.992 ( -2.275 -0.902 -2.332) 3.380 14.217 ( 3.416 -4.724 -0.695) 5.871 14.443 ( -5.109 -1.506 -8.034) 9.640 14.665 ( 5.122 -0.685 5.349) 7.437 14.782 ( 2.524 -1.535 0.742) 3.046 15.531 ( 3.773 -0.397 -0.854) 3.889 15.582 ( 2.205 1.346 -1.737) 3.113 15.670 ( 8.410 -0.220 0.199) 8.415 15.901 ( -1.997 -2.110 -0.146) 2.909 18.374 ( 6.965 13.033 -20.413) 25.200 18.391 ( -6.302 13.023 19.791) 24.515 20.018 ( 3.132 -4.167 -1.175) 5.344 20.264 ( -10.956 -2.520 5.157) 12.368 20.645 ( 4.923 -1.392 -2.600) 5.738 20.775 ( 1.906 3.794 -2.046) 4.713 21.046 ( -8.040 -2.007 -2.133) 8.557 21.193 ( -16.883 3.198 5.394) 18.010 21.274 ( 1.767 1.729 -2.433) 3.469 21.488 ( -8.734 -1.536 0.796) 8.903 21.704 ( -2.174 1.563 -0.455) 2.716 21.796 ( -5.327 1.509 -0.661) 5.576 22.958 ( 1.981 -21.161 -2.380) 21.386 22.973 ( -0.450 -19.547 2.566) 19.720 23.995 ( 1.032 -3.681 4.917) 6.228 24.044 ( -0.146 -2.507 -4.209) 4.901 24.575 ( 12.969 7.244 2.880) 15.132 24.706 ( 10.429 3.605 -2.636) 11.345 25.001 ( 11.973 -3.331 -3.513) 12.915 25.124 ( 5.203 -3.321 4.616) 7.707 25.444 ( -1.602 5.098 0.417) 5.360 25.546 ( -3.537 1.531 -2.040) 4.361 25.614 ( 3.396 2.709 0.229) 4.350 25.726 ( -1.532 4.726 2.798) 5.702 26.210 ( -2.393 0.553 -0.472) 2.501 26.280 ( -4.531 1.015 -0.903) 4.730 26.639 ( -0.875 0.615 -3.303) 3.472 26.668 ( -3.748 1.123 2.587) 4.690 ======================= Grid point 134 (62/72) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -6.930 -11.359 -17.206) 21.751 1.441 ( 6.930 -11.359 17.206) 21.751 1.938 ( 1.162 -0.161 -9.616) 9.687 1.938 ( -1.162 -0.161 9.616) 9.687 2.384 ( -13.528 -2.231 -8.308) 16.032 2.384 ( 13.528 -2.231 8.308) 16.032 2.498 ( -2.906 -3.657 -7.946) 9.217 2.498 ( 2.906 -3.657 7.945) 9.217 2.916 ( -5.146 -1.243 -4.364) 6.861 2.916 ( 5.146 -1.243 4.364) 6.861 3.181 ( -7.720 1.790 -2.005) 8.174 3.181 ( 7.720 1.790 2.005) 8.174 3.391 ( 0.226 5.778 -6.560) 8.745 3.391 ( -0.226 5.778 6.560) 8.745 3.407 ( 2.947 -3.541 -5.426) 7.118 3.407 ( -2.947 -3.541 5.426) 7.118 3.699 ( -5.096 1.092 -4.231) 6.712 3.699 ( 5.096 1.092 4.231) 6.712 3.814 ( -4.729 5.572 -6.359) 9.688 3.814 ( 4.729 5.572 6.359) 9.688 4.006 ( 1.788 -6.263 -3.452) 7.372 4.006 ( -1.788 -6.263 3.452) 7.372 4.218 ( -7.690 -0.925 -4.750) 9.086 4.218 ( 7.690 -0.925 4.750) 9.086 4.429 ( -4.423 -3.498 -5.425) 7.825 4.429 ( 4.423 -3.498 5.425) 7.825 4.597 ( -3.858 -2.194 -4.012) 5.982 4.597 ( 3.858 -2.194 4.012) 5.982 4.790 ( -5.119 3.042 -8.288) 10.206 4.790 ( 5.119 3.042 8.288) 10.206 4.889 ( -4.331 2.633 -4.815) 6.991 4.889 ( 4.331 2.633 4.815) 6.991 4.992 ( -3.965 0.473 -0.835) 4.079 4.992 ( 3.965 0.473 0.835) 4.079 5.195 ( 1.176 -3.338 -5.565) 6.595 5.195 ( -1.176 -3.338 5.565) 6.595 5.325 ( 0.905 -0.000 -2.782) 2.926 5.325 ( -0.905 -0.000 2.782) 2.926 5.586 ( -2.658 0.698 -5.217) 5.896 5.586 ( 2.658 0.698 5.217) 5.896 5.642 ( -0.745 6.260 -5.912) 8.643 5.642 ( 0.745 6.260 5.912) 8.643 5.895 ( 0.098 -1.156 -4.905) 5.041 5.895 ( -0.098 -1.156 4.905) 5.041 6.022 ( 3.281 3.742 -4.225) 6.528 6.022 ( -3.281 3.742 4.225) 6.528 6.406 ( -0.574 0.640 -0.977) 1.301 6.406 ( 0.574 0.640 0.977) 1.301 6.480 ( -0.573 1.760 -5.964) 6.245 6.480 ( 0.573 1.760 5.964) 6.245 6.723 ( -0.037 -3.301 -3.972) 5.165 6.723 ( 0.037 -3.301 3.972) 5.165 6.891 ( -3.754 -8.823 -7.413) 12.120 6.891 ( 3.754 -8.823 7.413) 12.120 7.078 ( 1.646 -1.360 -6.035) 6.402 7.078 ( -1.646 -1.360 6.035) 6.402 7.448 ( -1.846 2.709 -2.179) 3.936 7.448 ( 1.846 2.709 2.179) 3.936 7.649 ( -1.570 6.365 -4.723) 8.080 7.649 ( 1.570 6.365 4.723) 8.080 7.840 ( -1.867 5.013 -4.409) 6.933 7.840 ( 1.867 5.013 4.409) 6.933 8.408 ( -3.430 3.418 -5.356) 7.221 8.408 ( 3.430 3.418 5.356) 7.221 8.651 ( -3.157 -2.286 -1.604) 4.215 8.651 ( 3.157 -2.286 1.604) 4.215 9.147 ( 7.231 -1.599 -4.696) 8.769 9.147 ( -7.231 -1.599 4.696) 8.769 9.445 ( -6.632 -1.842 -4.596) 8.277 9.445 ( 6.632 -1.842 4.596) 8.277 9.614 ( -0.424 0.878 -2.519) 2.701 9.614 ( 0.424 0.878 2.519) 2.701 9.828 ( -1.760 0.258 -1.797) 2.528 9.828 ( 1.760 0.258 1.797) 2.528 10.342 ( -0.367 0.555 -4.315) 4.367 10.342 ( 0.367 0.555 4.315) 4.367 10.494 ( -0.017 -0.513 -5.849) 5.871 10.494 ( 0.017 -0.513 5.849) 5.871 10.779 ( 0.734 1.364 -3.053) 3.423 10.779 ( -0.734 1.364 3.053) 3.423 11.284 ( -3.401 0.321 -4.975) 6.035 11.284 ( 3.401 0.321 4.975) 6.035 11.696 ( 4.388 4.101 -13.113) 14.423 11.696 ( -4.388 4.101 13.113) 14.423 12.001 ( -0.754 -0.344 -0.558) 0.999 12.001 ( 0.754 -0.344 0.558) 0.999 12.585 ( 0.627 -0.811 -0.722) 1.253 12.585 ( -0.627 -0.811 0.722) 1.253 12.647 ( 2.936 -3.685 -4.157) 6.284 12.647 ( -2.936 -3.685 4.157) 6.284 13.246 ( -1.870 -1.412 -1.956) 3.052 13.246 ( 1.870 -1.412 1.956) 3.052 13.497 ( 2.283 -2.945 -9.678) 10.370 13.497 ( -2.283 -2.945 9.678) 10.370 13.933 ( -1.780 0.622 -2.828) 3.399 13.933 ( 1.780 0.622 2.828) 3.399 14.309 ( -4.725 -3.253 -4.047) 7.021 14.309 ( 4.725 -3.253 4.047) 7.021 14.773 ( -2.783 -0.806 -2.289) 3.693 14.773 ( 2.783 -0.806 2.289) 3.693 15.581 ( 0.334 -0.240 -2.767) 2.797 15.581 ( -0.334 -0.240 2.767) 2.797 15.819 ( -6.078 -0.735 -0.624) 6.154 15.819 ( 6.078 -0.735 0.624) 6.154 18.385 ( 7.969 13.131 -24.259) 28.713 18.385 ( -7.969 13.131 24.259) 28.713 20.109 ( -6.635 -3.202 1.508) 7.520 20.109 ( 6.635 -3.202 -1.508) 7.520 20.751 ( -5.343 -1.859 0.403) 5.672 20.751 ( 5.343 -1.859 -0.403) 5.672 20.979 ( 1.664 4.666 -2.690) 5.637 20.979 ( -1.664 4.666 2.690) 5.637 21.347 ( -5.839 -1.069 0.978) 6.016 21.347 ( 5.839 -1.069 -0.978) 6.016 21.718 ( -2.209 1.581 -0.406) 2.747 21.718 ( 2.209 1.581 0.406) 2.747 22.973 ( 1.618 -20.229 -4.731) 20.838 22.973 ( -1.618 -20.229 4.731) 20.838 24.021 ( 0.916 -3.168 -5.390) 6.319 24.021 ( -0.916 -3.168 5.390) 6.319 24.764 ( -2.670 5.403 -4.316) 7.413 24.764 ( 2.670 5.403 4.316) 7.413 25.145 ( 2.730 -2.874 -2.535) 4.705 25.145 ( -2.730 -2.874 2.535) 4.705 25.463 ( -2.737 2.984 -2.424) 4.719 25.463 ( 2.737 2.984 2.424) 4.719 25.686 ( 0.763 3.844 -2.847) 4.844 25.686 ( -0.763 3.844 2.847) 4.844 26.207 ( -1.878 0.936 -1.077) 2.358 26.207 ( 1.878 0.936 1.077) 2.358 26.630 ( 1.823 0.542 -3.757) 4.211 26.630 ( -1.823 0.542 3.757) 4.211 ======================= Grid point 139 (63/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -9.859 8.108 -8.408) 15.285 1.230 ( 9.859 8.108 8.408) 15.285 1.421 ( 2.149 7.482 -9.523) 12.300 1.421 ( -2.149 7.482 9.523) 12.300 2.169 ( 8.492 -2.876 -8.333) 12.241 2.169 ( -8.492 -2.876 8.333) 12.241 2.269 ( 4.924 -11.168 -7.315) 14.229 2.269 ( -4.924 -11.168 7.315) 14.229 2.618 ( -0.574 -2.513 -7.266) 7.710 2.618 ( 0.574 -2.513 7.266) 7.710 2.848 ( -6.061 -8.579 -4.748) 11.527 2.848 ( 6.061 -8.579 4.748) 11.527 3.066 ( -8.527 1.421 0.812) 8.683 3.066 ( 8.527 1.421 -0.812) 8.683 3.407 ( 3.852 -2.330 -5.527) 7.129 3.407 ( -3.852 -2.330 5.527) 7.129 3.605 ( 5.550 0.548 -3.541) 6.606 3.605 ( -5.550 0.548 3.541) 6.606 3.763 ( 0.833 6.856 -7.500) 10.195 3.763 ( -0.833 6.856 7.500) 10.195 3.859 ( 2.134 -9.704 -2.135) 10.162 3.859 ( -2.134 -9.704 2.135) 10.162 4.169 ( -0.117 9.397 -1.635) 9.539 4.169 ( 0.117 9.397 1.635) 9.539 4.311 ( 3.402 -0.555 -4.103) 5.359 4.311 ( -3.402 -0.555 4.103) 5.359 4.501 ( -0.254 -1.309 -1.667) 2.135 4.501 ( 0.254 -1.309 1.667) 2.135 4.770 ( -2.023 -0.345 -3.272) 3.862 4.770 ( 2.023 -0.345 3.272) 3.862 4.857 ( 5.779 2.695 -9.630) 11.550 4.857 ( -5.779 2.695 9.630) 11.550 4.995 ( -0.742 3.776 -3.936) 5.504 4.995 ( 0.742 3.776 3.936) 5.504 5.084 ( -0.058 4.894 -2.200) 5.366 5.084 ( 0.058 4.894 2.200) 5.366 5.281 ( -0.989 -2.143 -5.099) 5.619 5.281 ( 0.989 -2.143 5.099) 5.619 5.414 ( 3.013 -0.081 -4.656) 5.546 5.414 ( -3.013 -0.081 4.656) 5.546 5.593 ( 7.870 -0.817 -5.806) 9.814 5.593 ( -7.870 -0.817 5.806) 9.814 5.893 ( 1.938 0.281 -1.552) 2.499 5.893 ( -1.938 0.281 1.552) 2.499 6.069 ( 2.053 -1.754 -5.595) 6.213 6.069 ( -2.053 -1.754 5.595) 6.213 6.269 ( 0.303 1.038 -2.791) 2.994 6.269 ( -0.303 1.038 2.791) 2.994 6.510 ( 2.514 -3.742 -4.095) 6.090 6.510 ( -2.514 -3.742 4.095) 6.090 6.631 ( 0.712 -1.062 -5.702) 5.844 6.631 ( -0.712 -1.062 5.702) 5.844 6.897 ( 0.787 -3.096 -6.406) 7.159 6.897 ( -0.787 -3.096 6.406) 7.159 7.097 ( 2.792 -2.439 -3.770) 5.288 7.097 ( -2.792 -2.439 3.770) 5.288 7.234 ( 2.189 -3.362 -6.540) 7.673 7.234 ( -2.189 -3.362 6.540) 7.673 7.517 ( -2.104 1.692 -4.565) 5.304 7.517 ( 2.104 1.692 4.565) 5.304 7.712 ( -11.332 -0.182 1.994) 11.507 7.712 ( 11.332 -0.182 -1.994) 11.507 7.846 ( -0.648 -1.559 -1.915) 2.553 7.846 ( 0.648 -1.559 1.915) 2.553 8.366 ( 1.230 4.314 -6.874) 8.208 8.366 ( -1.230 4.314 6.874) 8.208 8.957 ( -1.274 9.095 -7.915) 12.124 8.957 ( 1.274 9.095 7.915) 12.124 9.677 ( -4.079 10.973 -0.781) 11.733 9.677 ( 4.079 10.973 0.781) 11.733 10.020 ( 0.381 6.306 -3.581) 7.262 10.020 ( -0.381 6.306 3.581) 7.262 10.481 ( -3.424 -6.815 -4.104) 8.661 10.481 ( 3.424 -6.815 4.104) 8.661 10.531 ( -0.988 -1.515 -2.156) 2.814 10.531 ( 0.988 -1.515 2.156) 2.814 10.845 ( -0.863 0.486 0.028) 0.991 10.845 ( 0.863 0.486 -0.028) 0.991 11.006 ( 2.525 -1.273 -2.977) 4.106 11.006 ( -2.525 -1.273 2.977) 4.106 11.281 ( -2.045 0.338 -3.588) 4.144 11.281 ( 2.045 0.338 3.588) 4.144 11.653 ( 4.596 3.166 -10.906) 12.251 11.653 ( -4.596 3.166 10.906) 12.251 12.186 ( -2.713 -5.202 -0.581) 5.896 12.186 ( 2.713 -5.202 0.581) 5.896 12.325 ( 2.653 1.590 -3.145) 4.411 12.325 ( -2.653 1.590 3.145) 4.411 12.594 ( -1.042 2.561 -0.827) 2.886 12.594 ( 1.042 2.561 0.827) 2.886 13.254 ( 2.687 -3.287 -4.386) 6.104 13.254 ( -2.687 -3.287 4.386) 6.104 13.590 ( 0.047 -4.384 -2.181) 4.896 13.590 ( -0.047 -4.384 2.181) 4.896 13.974 ( -0.591 -3.221 0.017) 3.275 13.974 ( 0.591 -3.221 -0.017) 3.275 14.305 ( -3.495 2.169 -4.714) 6.257 14.305 ( 3.495 2.169 4.714) 6.257 14.795 ( -1.204 -4.278 -0.598) 4.484 14.795 ( 1.204 -4.278 0.598) 4.484 15.295 ( 0.375 0.232 -2.923) 2.956 15.295 ( -0.375 0.232 2.923) 2.956 15.557 ( -4.041 -0.987 -2.564) 4.887 15.557 ( 4.041 -0.987 2.564) 4.887 18.697 ( 6.506 21.687 -20.547) 30.575 18.697 ( -6.506 21.687 20.547) 30.575 20.047 ( -4.840 -11.767 -5.927) 14.036 20.047 ( 4.840 -11.767 5.927) 14.036 20.915 ( -4.155 -9.871 -3.142) 11.161 20.915 ( 4.155 -9.871 3.142) 11.161 21.283 ( -2.041 3.044 -8.449) 9.210 21.283 ( 2.041 3.044 8.449) 9.210 22.040 ( 4.324 -4.990 -13.470) 15.001 22.040 ( -4.324 -4.990 13.470) 15.001 22.482 ( -4.486 0.387 0.952) 4.602 22.482 ( 4.486 0.387 -0.952) 4.602 22.580 ( -4.751 -1.735 -0.820) 5.124 22.580 ( 4.751 -1.735 0.820) 5.124 23.391 ( 0.938 -6.834 -5.176) 8.624 23.391 ( -0.938 -6.834 5.176) 8.624 24.140 ( 0.770 4.260 -8.330) 9.388 24.140 ( -0.770 4.260 8.330) 9.388 24.319 ( -0.084 -1.662 -6.202) 6.421 24.319 ( 0.084 -1.662 6.202) 6.421 25.618 ( 0.095 4.590 -1.079) 4.716 25.618 ( -0.095 4.590 1.079) 4.716 25.730 ( -0.949 2.536 -1.727) 3.211 25.730 ( 0.949 2.536 1.727) 3.211 26.445 ( 0.430 -0.083 -3.143) 3.173 26.445 ( -0.430 -0.083 3.143) 3.173 26.855 ( -0.275 0.361 -1.148) 1.234 26.855 ( 0.275 0.361 1.148) 1.234 ======================= Grid point 141 (64/72) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 11.051 10.455 -0.738) 15.230 1.348 ( -1.171 1.268 6.617) 6.839 1.521 ( 14.331 4.588 -14.377) 20.811 1.770 ( 20.546 1.186 8.880) 22.414 2.042 ( -8.004 -14.486 2.918) 16.806 2.257 ( 0.710 -1.712 3.957) 4.370 2.345 ( 11.531 -0.556 -5.004) 12.583 2.446 ( 8.639 -8.166 -4.118) 12.581 2.487 ( 6.758 -6.785 6.868) 11.785 2.650 ( -1.086 -9.972 -5.047) 11.229 2.836 ( -1.296 3.960 2.103) 4.667 2.932 ( 3.330 5.048 -4.287) 7.413 3.100 ( 5.110 -0.639 3.534) 6.246 3.208 ( 10.166 -7.903 -0.777) 12.900 3.358 ( -2.819 -4.165 5.157) 7.204 3.430 ( -3.934 1.812 1.136) 4.478 3.509 ( 4.815 -3.199 -1.557) 5.987 3.627 ( -9.801 -0.567 6.533) 11.792 3.679 ( 2.518 2.338 -4.016) 5.285 3.737 ( 0.233 8.136 -3.119) 8.717 3.925 ( 2.406 -11.914 -3.711) 12.709 3.978 ( 2.873 0.434 5.570) 6.283 4.058 ( -1.733 6.129 -0.568) 6.395 4.192 ( 1.856 0.569 -1.678) 2.566 4.266 ( -3.783 -0.850 3.149) 4.996 4.396 ( 6.580 2.116 -3.490) 7.743 4.509 ( -1.649 -0.451 2.533) 3.056 4.546 ( 4.072 7.306 -4.937) 9.713 4.610 ( -8.361 2.922 0.452) 8.868 4.728 ( -3.972 0.409 -0.222) 3.999 4.848 ( -1.556 -0.015 -7.406) 7.568 4.924 ( 2.028 -0.656 2.456) 3.252 4.951 ( 0.665 -0.856 -0.648) 1.263 5.032 ( 3.457 3.976 -1.167) 5.397 5.153 ( 2.080 -0.834 0.894) 2.413 5.191 ( 6.843 3.205 1.421) 7.689 5.236 ( 1.241 2.726 -0.009) 2.995 5.354 ( 2.516 3.228 -1.799) 4.471 5.406 ( -0.287 0.994 4.391) 4.511 5.492 ( 2.151 -4.373 4.832) 6.863 5.506 ( 3.375 3.203 -0.748) 4.712 5.696 ( 5.948 -5.113 -6.963) 10.489 5.873 ( -2.609 -0.438 5.333) 5.953 5.927 ( 2.387 4.856 -0.883) 5.483 6.089 ( 1.756 1.177 0.948) 2.317 6.101 ( 2.641 -2.651 -1.133) 3.910 6.226 ( -0.613 1.227 -5.593) 5.758 6.277 ( -0.774 0.062 -2.391) 2.514 6.500 ( -1.355 -2.514 5.733) 6.405 6.527 ( -0.466 -7.476 -0.422) 7.503 6.582 ( -1.457 0.117 -1.377) 2.008 6.646 ( -0.938 -2.614 9.518) 9.915 6.881 ( -3.436 -2.592 3.607) 5.616 6.916 ( 3.514 -2.574 -9.670) 10.606 7.073 ( 0.591 0.095 2.864) 2.926 7.093 ( -0.248 -0.571 -5.679) 5.713 7.282 ( 7.249 -3.523 5.168) 9.575 7.332 ( -0.045 0.988 -4.667) 4.771 7.462 ( 0.261 3.177 4.243) 5.307 7.606 ( 6.701 2.570 -4.401) 8.418 7.645 ( 3.922 0.238 1.226) 4.116 7.809 ( 0.381 0.628 1.747) 1.895 7.935 ( 6.772 -5.010 -1.552) 8.566 8.044 ( 17.975 -8.801 4.166) 20.443 8.334 ( -0.700 5.442 1.217) 5.620 8.428 ( 2.952 3.315 1.928) 4.840 8.886 ( -0.332 7.203 -8.771) 11.355 9.026 ( 1.425 7.622 5.681) 9.612 9.591 ( -4.123 8.362 0.564) 9.340 9.732 ( 0.592 10.389 0.535) 10.420 9.951 ( -5.849 7.260 -2.151) 9.568 10.003 ( -2.565 6.315 2.107) 7.134 10.301 ( -10.288 -5.135 -5.516) 12.753 10.441 ( -7.400 -3.687 1.489) 8.401 10.493 ( -2.930 -3.317 2.357) 5.014 10.580 ( -1.427 -4.774 2.333) 5.502 10.741 ( -5.996 1.324 -0.693) 6.179 10.859 ( -1.619 0.846 -1.352) 2.272 10.974 ( -3.017 -1.336 3.162) 4.570 11.008 ( -0.685 0.280 -1.476) 1.651 11.220 ( -2.832 0.847 -1.868) 3.497 11.339 ( 1.292 -0.779 2.839) 3.215 11.640 ( -2.595 1.937 9.595) 10.127 11.683 ( 4.520 3.628 -9.356) 11.006 12.114 ( -4.219 -2.426 0.309) 4.877 12.255 ( -2.717 1.081 1.641) 3.353 12.257 ( 2.244 -2.941 0.867) 3.800 12.362 ( 3.103 -0.930 -1.650) 3.635 12.588 ( 0.660 -0.416 -1.466) 1.660 12.640 ( 2.426 3.810 0.495) 4.544 13.223 ( -2.669 -4.898 4.379) 7.091 13.278 ( 0.976 -3.665 -2.480) 4.531 13.550 ( -1.618 -3.238 -4.185) 5.533 13.566 ( -3.469 -4.417 1.707) 5.870 13.967 ( 0.387 -1.711 0.804) 1.930 14.010 ( 2.059 -4.829 -1.360) 5.423 14.202 ( -4.949 4.952 -3.012) 7.622 14.403 ( 3.388 0.107 6.411) 7.252 14.671 ( -5.064 -3.148 -3.092) 6.716 14.735 ( -5.451 -4.575 -6.086) 9.364 15.342 ( 6.255 1.681 1.513) 6.651 15.438 ( 8.666 0.699 -1.063) 8.759 15.491 ( -0.257 1.350 -2.820) 3.137 15.682 ( 6.261 -4.756 1.929) 8.096 18.691 ( -0.419 20.909 1.854) 20.995 18.721 ( 1.990 22.668 -1.770) 22.824 19.923 ( -4.349 -11.089 -2.901) 12.260 20.182 ( 4.082 -12.757 6.370) 14.832 20.765 ( -8.044 -6.870 -3.332) 11.090 20.979 ( 0.810 -9.370 -1.506) 9.525 21.171 ( -3.537 6.664 -7.414) 10.578 21.347 ( -0.257 0.252 6.251) 6.261 21.759 ( -16.473 3.489 3.075) 17.116 22.073 ( -9.120 -0.267 -0.311) 9.129 22.189 ( -19.476 -0.478 0.543) 19.490 22.311 ( -16.975 0.694 -1.854) 17.090 22.467 ( -2.597 -11.322 0.291) 11.620 22.606 ( -1.019 -10.922 0.648) 10.989 23.554 ( 14.532 -3.115 3.285) 15.221 23.718 ( 20.571 -7.345 0.912) 21.862 24.241 ( 9.528 3.824 -6.922) 12.382 24.317 ( 8.390 3.962 0.118) 9.279 24.357 ( 10.796 -0.920 5.250) 12.040 24.450 ( 13.746 -4.225 0.416) 14.387 25.605 ( -0.720 4.521 -0.334) 4.590 25.625 ( 0.150 4.229 0.125) 4.233 25.698 ( -1.054 3.231 -1.102) 3.573 25.765 ( 1.334 2.539 1.469) 3.222 26.397 ( -3.156 0.407 -2.594) 4.105 26.434 ( -2.304 -0.479 0.784) 2.480 26.806 ( -3.727 1.022 0.024) 3.865 26.838 ( -2.925 0.453 1.098) 3.157 ======================= Grid point 142 (65/72) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -14.214 -10.624 13.345) 22.203 1.477 ( 10.873 -0.520 -8.938) 14.085 1.704 ( 6.686 -2.245 -2.481) 7.476 1.876 ( -1.939 -12.647 2.086) 12.964 2.133 ( 7.861 -3.880 -3.129) 9.308 2.233 ( 0.007 3.866 5.913) 7.064 2.471 ( -3.664 -5.513 11.836) 13.562 2.640 ( 13.618 -6.139 -2.037) 15.076 2.683 ( 8.520 1.110 -13.832) 16.283 2.805 ( 1.514 2.393 5.300) 6.010 2.901 ( -1.565 5.413 -3.332) 6.546 2.942 ( 22.523 -4.980 7.548) 24.270 3.235 ( 8.090 -0.132 -3.618) 8.863 3.288 ( 1.434 -1.398 1.361) 2.422 3.387 ( 5.110 0.315 -4.573) 6.865 3.473 ( -2.429 -7.119 1.956) 7.772 3.535 ( 6.149 -0.527 3.267) 6.983 3.669 ( 7.231 -4.495 -0.001) 8.514 3.707 ( 1.301 6.982 4.184) 8.243 3.779 ( 8.372 9.283 -8.951) 15.374 3.906 ( -1.738 -7.617 -4.432) 8.983 3.946 ( -2.447 -4.054 1.095) 4.860 4.108 ( 3.644 1.187 -3.439) 5.149 4.223 ( -2.276 -0.674 5.513) 6.003 4.281 ( 4.442 8.477 6.702) 11.684 4.408 ( -6.845 -0.526 4.557) 8.240 4.483 ( -2.968 1.567 2.814) 4.380 4.559 ( 6.876 -1.202 -1.355) 7.111 4.612 ( 5.235 3.355 -8.142) 10.244 4.645 ( -3.526 2.191 1.219) 4.327 4.782 ( -0.145 -6.128 -4.547) 7.632 4.890 ( -1.868 -0.673 -2.958) 3.563 5.051 ( 5.725 1.625 2.310) 6.384 5.070 ( -1.673 1.814 1.272) 2.776 5.170 ( 0.044 -4.964 0.737) 5.019 5.191 ( -0.361 -0.843 -1.951) 2.156 5.314 ( 4.194 6.071 -5.867) 9.427 5.385 ( 0.317 4.379 -5.403) 6.962 5.463 ( 5.247 3.568 3.022) 7.028 5.588 ( 4.403 5.120 5.587) 8.765 5.666 ( 6.441 -4.691 3.989) 8.910 5.752 ( 3.410 -4.166 -3.548) 6.447 5.856 ( -1.459 2.094 4.626) 5.283 5.971 ( 2.936 7.052 -2.656) 8.087 6.111 ( -1.841 2.130 -0.204) 2.823 6.136 ( 2.009 1.194 -0.520) 2.394 6.212 ( 1.113 -0.524 -4.470) 4.637 6.223 ( 1.608 -2.050 -2.073) 3.330 6.494 ( -3.171 -8.829 3.690) 10.080 6.520 ( -0.458 -2.333 5.752) 6.225 6.597 ( 1.182 -0.169 1.880) 2.227 6.691 ( -1.241 -4.838 4.250) 6.558 6.792 ( -3.205 -1.911 0.796) 3.816 6.939 ( 3.417 -0.450 -10.583) 11.130 7.060 ( -1.285 1.096 -1.953) 2.582 7.152 ( 3.499 -0.113 6.798) 7.646 7.219 ( -3.145 3.200 -6.502) 7.900 7.447 ( 4.199 -2.797 2.122) 5.473 7.539 ( 3.376 7.094 7.885) 11.131 7.693 ( 5.693 3.772 -6.085) 9.147 7.781 ( 8.203 -0.941 -2.849) 8.734 7.907 ( 7.295 4.232 2.297) 8.741 8.110 ( 11.742 -7.099 -1.055) 13.762 8.327 ( 7.495 -1.484 2.427) 8.017 8.365 ( 3.974 3.297 0.135) 5.166 8.530 ( 6.943 -3.843 2.083) 8.204 8.853 ( 1.374 2.637 -4.818) 5.662 9.080 ( 1.095 2.221 4.068) 4.762 9.536 ( -2.738 4.173 2.408) 5.541 9.693 ( -4.922 3.679 -0.845) 6.203 9.786 ( -9.314 9.130 0.438) 13.050 9.948 ( -4.694 7.706 0.179) 9.025 10.057 ( -10.314 -2.560 -5.843) 12.128 10.235 ( -13.659 -3.996 1.394) 14.300 10.442 ( -5.143 -0.779 3.173) 6.093 10.493 ( -5.861 -4.754 0.911) 7.601 10.636 ( -4.075 2.499 -2.530) 5.409 10.789 ( -4.213 0.770 -1.463) 4.526 10.841 ( -9.901 0.576 -1.166) 9.986 11.032 ( 0.431 -0.006 2.896) 2.928 11.139 ( -3.681 1.727 -0.083) 4.067 11.362 ( 0.200 -1.774 0.388) 1.827 11.672 ( -0.528 0.945 10.235) 10.292 11.714 ( 4.511 3.139 -9.471) 10.950 12.047 ( -2.627 1.091 0.503) 2.889 12.172 ( -4.508 5.659 0.894) 7.290 12.361 ( 5.430 -5.781 1.265) 8.032 12.433 ( 3.523 -6.082 1.084) 7.112 12.592 ( 0.670 -1.319 -1.071) 1.827 12.673 ( 0.241 3.930 1.343) 4.160 13.196 ( -3.495 -6.590 5.371) 9.192 13.264 ( -0.835 -4.357 -0.741) 4.498 13.484 ( -3.136 -2.808 -3.058) 5.203 13.501 ( -2.287 -3.988 -1.957) 4.996 13.976 ( -0.257 -0.071 -0.120) 0.292 14.034 ( 0.247 -1.185 1.637) 2.036 14.088 ( -2.924 1.176 -4.416) 5.425 14.509 ( 1.064 -4.204 5.616) 7.095 14.572 ( -3.427 -0.677 -6.954) 7.782 14.658 ( 3.873 -2.246 -0.210) 4.482 15.482 ( 5.631 1.512 -4.765) 7.529 15.519 ( 5.752 2.421 2.892) 6.878 15.561 ( 4.906 0.681 -3.244) 5.921 15.798 ( 3.793 -5.355 2.593) 7.056 18.701 ( 0.399 20.811 1.364) 20.859 18.745 ( 1.395 23.302 -1.488) 23.392 19.859 ( -1.010 -10.455 -0.248) 10.507 20.239 ( -3.162 -14.797 4.914) 15.909 20.621 ( -2.726 -0.505 -3.158) 4.202 20.904 ( -4.761 -3.202 -6.469) 8.647 21.102 ( -0.976 3.371 -2.168) 4.125 21.346 ( -3.044 2.251 4.268) 5.705 21.512 ( -11.150 3.293 2.849) 11.970 21.754 ( -19.489 2.395 1.209) 19.672 21.876 ( -13.787 0.512 0.739) 13.816 21.993 ( -11.631 1.949 -2.170) 11.991 22.475 ( 1.803 -20.463 -0.444) 20.548 22.584 ( -1.491 -17.041 0.899) 17.130 23.814 ( 8.184 -2.995 3.631) 9.441 23.965 ( 4.137 -6.331 -0.721) 7.597 24.427 ( 15.099 5.808 -3.317) 16.514 24.524 ( 13.241 3.081 0.926) 13.626 24.661 ( 16.242 -2.952 -0.544) 16.517 24.790 ( 16.081 -5.727 2.859) 17.308 25.583 ( -1.405 4.512 -0.261) 4.733 25.622 ( -0.774 2.507 0.143) 2.627 25.680 ( 0.187 5.374 -1.191) 5.508 25.797 ( 0.895 2.865 1.683) 3.441 26.305 ( -4.254 0.942 -2.400) 4.974 26.373 ( -4.062 -0.561 0.424) 4.123 26.725 ( -4.094 1.427 -0.628) 4.381 26.767 ( -4.705 0.871 1.238) 4.943 ======================= Grid point 143 (66/72) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -11.930 -18.269 16.025) 27.072 1.403 ( -11.485 -20.776 -9.892) 25.718 1.805 ( 7.169 -2.542 1.213) 7.702 2.019 ( 9.771 -4.988 4.746) 11.953 2.084 ( -3.914 3.819 -0.340) 5.479 2.349 ( 0.613 -1.558 6.912) 7.112 2.470 ( -1.098 -10.478 -4.063) 11.292 2.617 ( -2.903 8.486 -9.325) 12.938 2.754 ( 3.277 -6.880 4.944) 9.084 2.899 ( 0.102 3.942 0.637) 3.995 3.018 ( 10.889 3.914 4.919) 12.573 3.262 ( 3.618 -2.617 4.723) 6.500 3.302 ( 4.194 -3.153 3.027) 6.058 3.383 ( -1.645 -1.789 -6.834) 7.253 3.468 ( 11.989 -2.079 -8.775) 15.002 3.496 ( 4.245 3.357 -0.671) 5.453 3.637 ( 0.197 -1.701 -2.945) 3.406 3.744 ( 3.977 8.576 -1.552) 9.580 3.783 ( -4.907 -3.258 -6.636) 8.873 3.848 ( 11.502 -6.906 4.333) 14.098 3.940 ( 7.535 9.884 -0.875) 12.459 4.000 ( 4.152 -0.388 3.103) 5.198 4.095 ( -1.748 5.770 -2.609) 6.569 4.236 ( 1.741 -2.416 4.142) 5.101 4.319 ( -5.434 -1.686 2.153) 6.083 4.424 ( 3.853 1.278 5.960) 7.211 4.507 ( 3.766 -0.180 7.082) 8.023 4.522 ( -5.119 -4.909 -3.935) 8.111 4.702 ( 3.188 -0.501 8.484) 9.077 4.711 ( 3.756 2.413 -0.591) 4.503 4.808 ( 6.629 -7.295 -8.821) 13.227 4.887 ( 6.385 1.177 -4.650) 7.986 4.993 ( -5.356 -0.487 1.676) 5.633 5.127 ( 0.054 -1.643 0.963) 1.905 5.178 ( 0.215 -1.628 -4.406) 4.702 5.206 ( 1.803 4.713 -0.956) 5.136 5.325 ( 1.240 1.939 -3.408) 4.112 5.348 ( -0.884 4.296 -3.393) 5.545 5.552 ( 1.838 1.632 3.983) 4.680 5.641 ( -1.309 2.560 1.798) 3.391 5.752 ( 1.014 1.130 1.252) 1.968 5.769 ( 0.240 -1.025 -2.863) 3.050 5.878 ( -0.365 2.748 5.550) 6.204 5.957 ( -2.544 6.415 -2.688) 7.407 6.090 ( 2.814 5.962 -4.473) 7.967 6.145 ( -0.860 2.980 1.521) 3.455 6.282 ( 6.994 -0.611 2.509) 7.455 6.329 ( 6.962 -2.771 -0.815) 7.537 6.460 ( -3.496 -10.764 7.796) 13.742 6.535 ( -0.190 -3.742 0.384) 3.766 6.579 ( -2.859 -0.384 0.245) 2.895 6.652 ( -1.381 -4.054 -3.195) 5.343 6.798 ( 0.195 1.284 2.804) 3.090 6.905 ( -0.516 -0.193 -8.939) 8.955 7.028 ( -0.715 1.431 0.222) 1.615 7.118 ( -3.042 0.241 -2.674) 4.058 7.301 ( 6.003 -3.443 5.368) 8.758 7.485 ( -0.881 -3.682 1.269) 3.993 7.670 ( 5.025 7.140 4.733) 9.932 7.754 ( 3.480 4.196 -4.059) 6.797 7.903 ( 5.235 4.872 0.925) 7.211 8.025 ( 3.423 8.433 -2.885) 9.547 8.316 ( 8.707 1.556 4.105) 9.751 8.438 ( 7.189 3.750 -7.167) 10.822 8.510 ( 9.220 -4.679 0.338) 10.345 8.642 ( 1.886 -1.805 -0.443) 2.648 8.901 ( 4.859 -4.425 3.224) 7.320 9.104 ( -1.032 -4.899 1.772) 5.311 9.462 ( -7.603 -0.240 0.658) 7.635 9.549 ( -6.681 -1.368 0.769) 6.863 9.661 ( -3.844 7.552 -1.604) 8.625 9.799 ( -7.856 4.802 -0.669) 9.231 9.879 ( -5.908 1.799 -3.055) 6.890 9.986 ( -11.935 -2.306 2.077) 12.332 10.351 ( -3.226 0.007 2.000) 3.795 10.424 ( -3.112 -0.393 0.923) 3.270 10.548 ( -2.959 2.808 -3.181) 5.173 10.615 ( -9.911 2.818 -0.232) 10.307 10.750 ( 0.405 0.251 -0.662) 0.816 10.948 ( -6.979 2.465 -1.696) 7.594 11.176 ( 3.908 -0.711 4.075) 5.690 11.346 ( -1.919 -1.897 -0.971) 2.868 11.724 ( -0.139 0.155 7.527) 7.530 11.741 ( 3.361 1.865 -7.164) 8.130 12.024 ( -0.336 3.857 1.153) 4.040 12.098 ( -3.253 6.197 -0.381) 7.010 12.460 ( 3.275 -6.277 1.546) 7.246 12.484 ( 2.106 -7.226 -1.333) 7.644 12.604 ( 0.506 -1.058 0.768) 1.402 12.667 ( -1.534 3.472 1.071) 3.944 13.167 ( -2.117 -4.993 5.592) 7.790 13.240 ( -1.469 -5.228 -1.380) 5.603 13.420 ( -2.149 -3.643 0.923) 4.330 13.452 ( -0.808 -4.514 -4.766) 6.614 13.958 ( -0.746 2.359 -0.644) 2.556 13.991 ( -2.223 2.440 -0.851) 3.409 14.119 ( 3.759 -4.586 2.835) 6.572 14.376 ( -6.335 -5.332 -6.732) 10.671 14.663 ( 5.499 0.531 3.408) 6.491 14.746 ( 3.201 -1.926 0.851) 3.832 15.534 ( 3.276 0.657 -2.517) 4.183 15.594 ( 1.198 -0.314 -3.331) 3.554 15.680 ( 7.189 1.470 1.956) 7.594 15.845 ( -0.470 -3.331 1.792) 3.811 18.720 ( 0.705 21.416 1.200) 21.461 18.752 ( 0.265 23.174 -1.471) 23.222 19.882 ( 2.827 -10.251 1.775) 10.781 20.127 ( -8.092 -12.500 0.270) 14.893 20.631 ( 3.630 0.032 -1.580) 3.959 20.794 ( -3.585 -2.545 -1.727) 4.724 21.068 ( -0.315 5.184 -4.094) 6.613 21.290 ( -11.054 6.872 7.725) 15.136 21.322 ( -3.530 2.758 -1.766) 4.815 21.451 ( -10.974 -1.681 -0.235) 11.105 21.720 ( -2.544 -0.612 0.457) 2.656 21.824 ( -6.018 0.423 -0.725) 6.077 22.508 ( 1.713 -21.705 -0.210) 21.773 22.561 ( -1.339 -19.835 0.557) 19.888 23.917 ( 1.617 -3.628 2.931) 4.937 23.973 ( -0.547 -4.335 -1.970) 4.793 24.704 ( 12.516 5.516 0.414) 13.684 24.776 ( 10.333 3.194 -0.406) 10.823 24.931 ( 11.710 -3.627 -1.178) 12.315 25.030 ( 6.970 -5.667 1.277) 9.074 25.549 ( -1.807 4.810 -0.042) 5.139 25.586 ( -2.736 2.410 -0.243) 3.654 25.704 ( 2.812 5.509 -0.411) 6.199 25.809 ( -0.817 3.252 0.816) 3.450 26.228 ( -2.190 1.244 -0.461) 2.560 26.292 ( -4.123 0.063 -0.099) 4.124 26.656 ( -1.971 1.041 -1.510) 2.693 26.688 ( -4.019 0.678 1.339) 4.290 ======================= Grid point 144 (67/72) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -7.306 -20.760 -17.654) 28.214 1.094 ( 7.306 -20.760 17.654) 28.214 1.958 ( -6.246 -2.053 -2.515) 7.040 1.958 ( 6.246 -2.053 2.515) 7.040 2.257 ( -7.498 -9.503 -6.023) 13.520 2.257 ( 7.498 -9.503 6.023) 13.520 2.497 ( -1.146 6.836 -13.598) 15.263 2.497 ( 1.146 6.836 13.598) 15.263 2.865 ( -1.941 -2.737 -3.499) 4.848 2.865 ( 1.941 -2.737 3.499) 4.848 3.223 ( -4.389 -3.582 -5.906) 8.184 3.223 ( 4.389 -3.582 5.906) 8.184 3.342 ( 0.225 3.205 -1.765) 3.665 3.342 ( -0.225 3.205 1.765) 3.665 3.556 ( -1.599 4.649 -0.466) 4.938 3.556 ( 1.599 4.649 0.466) 4.938 3.646 ( -2.655 -3.602 -4.472) 6.326 3.646 ( 2.655 -3.602 4.472) 6.326 3.865 ( -4.965 -0.693 0.522) 5.040 3.865 ( 4.965 -0.693 -0.522) 5.040 4.046 ( 2.962 9.817 -7.881) 12.933 4.046 ( -2.962 9.817 7.881) 12.933 4.185 ( -8.738 -0.758 -3.547) 9.461 4.185 ( 8.738 -0.758 3.547) 9.461 4.370 ( -5.907 -3.429 -8.502) 10.906 4.370 ( 5.907 -3.429 8.502) 10.906 4.521 ( -2.868 -4.678 -1.262) 5.630 4.521 ( 2.868 -4.678 1.262) 5.630 4.786 ( 0.815 -2.038 -8.512) 8.790 4.786 ( -0.815 -2.038 8.512) 8.790 4.880 ( -3.494 -2.599 -5.658) 7.139 4.880 ( 3.494 -2.599 5.658) 7.139 5.053 ( -7.521 3.612 -1.304) 8.444 5.053 ( 7.521 3.612 1.304) 8.444 5.176 ( -0.943 1.275 -0.530) 1.672 5.176 ( 0.943 1.275 0.530) 1.672 5.336 ( 1.247 1.161 -4.060) 4.403 5.336 ( -1.247 1.161 4.060) 4.403 5.599 ( -1.439 1.419 -2.823) 3.472 5.599 ( 1.439 1.419 2.823) 3.472 5.751 ( 0.809 1.513 -4.552) 4.865 5.751 ( -0.809 1.513 4.552) 4.865 5.908 ( -0.587 4.118 -4.084) 5.829 5.908 ( 0.587 4.118 4.084) 5.829 6.126 ( 2.947 5.912 -4.065) 7.756 6.126 ( -2.947 5.912 4.065) 7.756 6.394 ( 2.065 -3.245 -3.590) 5.261 6.394 ( -2.065 -3.245 3.590) 5.261 6.491 ( -3.220 -0.259 -7.580) 8.240 6.491 ( 3.220 -0.259 7.580) 8.240 6.585 ( -1.884 -7.681 -4.216) 8.962 6.585 ( 1.884 -7.681 4.216) 8.962 6.833 ( -1.233 1.742 -6.296) 6.647 6.833 ( 1.233 1.742 6.296) 6.647 7.052 ( 0.787 -0.589 -6.143) 6.221 7.052 ( -0.787 -0.589 6.143) 6.221 7.431 ( -2.357 -4.464 -4.123) 6.518 7.431 ( 2.357 -4.464 4.123) 6.518 7.756 ( -1.061 4.849 -3.553) 6.104 7.756 ( 1.061 4.849 3.553) 6.104 8.000 ( -1.141 9.791 -6.875) 12.017 8.000 ( 1.141 9.791 6.875) 12.017 8.485 ( -1.314 3.340 -8.567) 9.289 8.485 ( 1.314 3.340 8.567) 9.289 8.611 ( -1.207 -1.234 -1.260) 2.138 8.611 ( 1.207 -1.234 1.260) 2.138 9.040 ( -4.402 -8.320 -3.233) 9.953 9.040 ( 4.402 -8.320 3.233) 9.953 9.411 ( -4.447 -1.695 -2.059) 5.185 9.411 ( 4.447 -1.695 2.059) 5.185 9.669 ( -3.099 3.958 0.669) 5.072 9.669 ( 3.099 3.958 -0.669) 5.072 9.839 ( 2.313 0.645 -3.931) 4.607 9.839 ( -2.313 0.645 3.931) 4.607 10.364 ( -0.792 1.144 -3.728) 3.979 10.364 ( 0.792 1.144 3.728) 3.979 10.507 ( 1.730 2.814 -4.017) 5.200 10.507 ( -1.730 2.814 4.017) 5.200 10.812 ( -2.251 2.050 -4.041) 5.060 10.812 ( 2.251 2.050 4.041) 5.060 11.277 ( -3.776 -1.469 -2.766) 4.907 11.277 ( 3.776 -1.469 2.766) 4.907 11.749 ( 3.829 0.353 -12.611) 13.184 11.749 ( -3.829 0.353 12.611) 13.184 12.045 ( -0.350 5.665 -2.996) 6.418 12.045 ( 0.350 5.665 2.996) 6.418 12.498 ( 0.261 -7.183 -3.094) 7.825 12.498 ( -0.261 -7.183 3.094) 7.825 12.632 ( -0.882 1.868 -1.182) 2.380 12.632 ( 0.882 1.868 1.182) 2.380 13.191 ( -0.912 -4.575 -4.786) 6.684 13.191 ( 0.912 -4.575 4.786) 6.684 13.417 ( 2.443 -4.696 -9.524) 10.896 13.417 ( -2.443 -4.696 9.524) 10.896 13.958 ( -0.387 2.183 -0.658) 2.313 13.958 ( 0.387 2.183 0.658) 2.313 14.229 ( -4.878 -4.622 -5.696) 8.809 14.229 ( 4.878 -4.622 5.696) 8.809 14.757 ( -1.937 -0.735 -1.612) 2.625 14.757 ( 1.937 -0.735 1.612) 2.625 15.576 ( 0.007 -0.203 -2.099) 2.108 15.576 ( -0.007 -0.203 2.099) 2.108 15.802 ( -4.504 -0.877 0.070) 4.589 15.802 ( 4.504 -0.877 -0.070) 4.589 18.741 ( 6.558 22.371 -21.184) 31.499 18.741 ( -6.558 22.371 21.184) 31.499 19.981 ( -4.089 -10.709 -3.588) 12.011 19.981 ( 4.089 -10.709 3.588) 12.011 20.710 ( -3.933 -2.019 -0.292) 4.430 20.710 ( 3.933 -2.019 0.292) 4.430 21.108 ( 4.984 8.300 -3.024) 10.143 21.108 ( -4.984 8.300 3.024) 10.143 21.327 ( 1.697 -0.654 -1.219) 2.189 21.327 ( -1.697 -0.654 1.219) 2.189 21.735 ( -1.816 -0.944 -1.294) 2.422 21.735 ( 1.816 -0.944 1.294) 2.422 22.537 ( 1.563 -21.186 -5.255) 21.884 22.537 ( -1.563 -21.186 5.255) 21.884 23.948 ( 0.299 -3.784 -3.677) 5.284 23.948 ( -0.299 -3.784 3.677) 5.284 24.859 ( -0.964 3.986 -2.499) 4.802 24.859 ( 0.964 3.986 2.499) 4.802 25.073 ( -0.820 -4.151 -1.227) 4.405 25.073 ( 0.820 -4.151 1.227) 4.405 25.538 ( -0.508 4.104 -1.038) 4.264 25.538 ( 0.508 4.104 1.038) 4.264 25.769 ( -2.629 3.968 -0.601) 4.798 25.769 ( 2.629 3.968 0.601) 4.798 26.227 ( -1.881 0.987 -0.729) 2.246 26.227 ( 1.881 0.987 0.729) 2.246 26.641 ( 1.263 0.523 -2.431) 2.789 26.641 ( -1.263 0.523 2.431) 2.789 ======================= Grid point 149 (68/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.189 15.763 -7.877) 17.661 1.487 ( 1.189 15.763 7.877) 17.661 1.575 ( 2.512 6.940 -8.059) 10.928 1.575 ( -2.512 6.940 8.059) 10.928 1.896 ( -5.794 -18.572 -0.086) 19.455 1.896 ( 5.794 -18.572 0.086) 19.455 2.175 ( -0.498 -2.228 -1.702) 2.847 2.175 ( 0.498 -2.228 1.702) 2.847 2.535 ( 2.497 -3.666 -3.229) 5.487 2.535 ( -2.497 -3.666 3.229) 5.487 2.743 ( 0.083 -2.385 -2.700) 3.604 2.743 ( -0.083 -2.385 2.700) 3.604 3.166 ( 0.992 6.457 -1.854) 6.791 3.166 ( -0.992 6.457 1.854) 6.791 3.329 ( 4.478 -5.047 -4.828) 8.296 3.329 ( -4.478 -5.047 4.828) 8.296 3.592 ( 4.742 -1.142 -8.707) 9.980 3.592 ( -4.742 -1.142 8.707) 9.980 3.690 ( 4.027 -4.008 -7.582) 9.474 3.690 ( -4.027 -4.008 7.582) 9.474 3.936 ( 2.948 7.403 -6.680) 10.399 3.936 ( -2.948 7.403 6.680) 10.399 4.238 ( 0.822 -5.241 -4.032) 6.664 4.238 ( -0.822 -5.241 4.032) 6.664 4.354 ( -0.874 5.660 -2.407) 6.212 4.354 ( 0.874 5.660 2.407) 6.212 4.424 ( -6.486 -3.335 -2.937) 7.862 4.424 ( 6.486 -3.335 2.937) 7.862 4.788 ( -2.132 1.433 -3.271) 4.159 4.788 ( 2.132 1.433 3.271) 4.159 4.936 ( 5.801 4.789 -8.533) 11.375 4.936 ( -5.801 4.789 8.533) 11.375 5.034 ( -4.130 -2.893 -0.950) 5.131 5.034 ( 4.130 -2.893 0.950) 5.131 5.140 ( 4.991 5.488 -4.068) 8.461 5.140 ( -4.991 5.488 4.068) 8.461 5.287 ( -0.489 -1.840 -4.164) 4.578 5.287 ( 0.489 -1.840 4.164) 4.578 5.423 ( 2.399 2.425 -2.440) 4.194 5.423 ( -2.399 2.425 2.440) 4.194 5.515 ( 1.789 -5.979 -2.932) 6.895 5.515 ( -1.789 -5.979 2.932) 6.895 5.949 ( -2.091 4.171 -0.782) 4.731 5.949 ( 2.091 4.171 0.782) 4.731 6.051 ( 0.541 0.207 -4.155) 4.195 6.051 ( -0.541 0.207 4.155) 4.195 6.288 ( 1.156 0.816 -2.022) 2.469 6.288 ( -1.156 0.816 2.022) 2.469 6.383 ( 0.483 -6.735 -2.221) 7.108 6.383 ( -0.483 -6.735 2.221) 7.108 6.669 ( 1.141 2.867 -3.533) 4.690 6.669 ( -1.141 2.867 3.533) 4.690 6.837 ( 0.868 -2.442 -4.376) 5.086 6.837 ( -0.868 -2.442 4.376) 5.086 7.067 ( 1.130 -0.637 -1.774) 2.198 7.067 ( -1.130 -0.637 1.774) 2.198 7.173 ( 1.319 -2.233 -2.304) 3.469 7.173 ( -1.319 -2.233 2.304) 3.469 7.563 ( -0.575 2.093 -3.141) 3.818 7.563 ( 0.575 2.093 3.141) 3.818 7.701 ( 5.172 -0.732 -3.361) 6.211 7.701 ( -5.172 -0.732 3.361) 6.211 7.823 ( -0.139 -0.598 -1.577) 1.692 7.823 ( 0.139 -0.598 1.577) 1.692 8.412 ( -0.068 0.898 -2.773) 2.915 8.412 ( 0.068 0.898 2.773) 2.915 9.104 ( -0.986 4.450 -2.976) 5.443 9.104 ( 0.986 4.450 2.976) 5.443 9.861 ( -3.224 6.201 -0.810) 7.036 9.861 ( 3.224 6.201 0.810) 7.036 10.113 ( 0.111 2.965 -2.400) 3.816 10.113 ( -0.111 2.965 2.400) 3.816 10.346 ( -1.815 -5.381 -4.022) 6.958 10.346 ( 1.815 -5.381 4.022) 6.958 10.533 ( -1.007 0.722 -1.897) 2.266 10.533 ( 1.007 0.722 1.897) 2.266 10.880 ( -2.209 3.209 -0.609) 3.943 10.880 ( 2.209 3.209 0.609) 3.943 10.955 ( 3.172 -3.717 -2.676) 5.571 10.955 ( -3.172 -3.717 2.676) 5.571 11.286 ( -0.855 0.194 -2.065) 2.243 11.286 ( 0.855 0.194 2.065) 2.243 11.693 ( 2.849 0.976 -6.663) 7.312 11.693 ( -2.849 0.976 6.663) 7.312 12.088 ( -0.943 -3.487 -0.582) 3.659 12.088 ( 0.943 -3.487 0.582) 3.659 12.353 ( 1.172 0.804 -1.432) 2.018 12.353 ( -1.172 0.804 1.432) 2.018 12.661 ( -1.532 3.014 -0.634) 3.440 12.661 ( 1.532 3.014 0.634) 3.440 13.172 ( 0.954 -3.575 -1.791) 4.111 13.172 ( -0.954 -3.575 1.791) 4.111 13.526 ( 0.146 -1.740 -0.860) 1.946 13.526 ( -0.146 -1.740 0.860) 1.946 13.934 ( 0.423 -0.918 -0.302) 1.054 13.934 ( -0.423 -0.918 0.302) 1.054 14.334 ( -1.176 0.772 -1.892) 2.358 14.334 ( 1.176 0.772 1.892) 2.358 14.733 ( -0.786 -1.746 -0.063) 1.916 14.733 ( 0.786 -1.746 0.063) 1.916 15.299 ( -0.084 0.119 -0.892) 0.904 15.299 ( 0.084 0.119 0.892) 0.904 15.549 ( -1.122 -0.083 -0.924) 1.456 15.549 ( 1.122 -0.083 0.924) 1.456 19.149 ( 4.187 21.728 -11.882) 25.116 19.149 ( -4.187 21.728 11.882) 25.116 19.746 ( -2.949 -17.546 -1.945) 17.898 19.746 ( 2.949 -17.546 1.945) 17.898 20.740 ( -2.069 -5.362 -1.372) 5.909 20.740 ( 2.069 -5.362 1.372) 5.909 21.317 ( -0.626 0.691 -2.612) 2.774 21.317 ( 0.626 0.691 2.612) 2.774 22.039 ( 3.064 1.787 -7.412) 8.217 22.039 ( -3.064 1.787 7.412) 8.217 22.484 ( -2.792 -0.118 0.694) 2.879 22.484 ( 2.792 -0.118 -0.694) 2.879 22.557 ( -2.011 -0.565 -0.313) 2.112 22.557 ( 2.011 -0.565 0.313) 2.112 23.273 ( 1.097 -3.799 -2.774) 4.831 23.273 ( -1.097 -3.799 2.774) 4.831 24.166 ( 0.092 -0.035 -2.324) 2.326 24.166 ( -0.092 -0.035 2.324) 2.326 24.317 ( -0.171 0.388 -1.552) 1.609 24.317 ( 0.171 0.388 1.552) 1.609 25.686 ( -0.018 2.006 -0.377) 2.041 25.686 ( 0.018 2.006 0.377) 2.041 25.765 ( -0.575 0.932 -0.824) 1.370 25.765 ( 0.575 0.932 0.824) 1.370 26.443 ( 0.149 -0.087 -1.265) 1.276 26.443 ( -0.149 -0.087 1.265) 1.276 26.858 ( -0.176 0.041 -0.378) 0.419 26.858 ( 0.176 0.041 0.378) 0.419 ======================= Grid point 151 (69/72) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -12.321 7.743 7.966) 16.590 1.519 ( -0.555 8.305 -4.721) 9.569 1.615 ( 7.811 6.826 -8.252) 13.255 1.742 ( -1.080 -2.591 1.192) 3.050 1.821 ( 12.880 -3.375 1.587) 13.409 2.036 ( 10.300 -19.589 4.681) 22.621 2.316 ( 9.990 -0.059 0.312) 9.995 2.336 ( 12.284 -1.462 -0.026) 12.371 2.448 ( 1.999 0.495 3.137) 3.752 2.507 ( 2.582 -5.120 -1.564) 5.944 2.918 ( 13.379 3.567 -1.555) 13.934 3.007 ( 18.976 -6.199 -1.586) 20.026 3.064 ( -4.472 7.916 -0.120) 9.093 3.169 ( -4.931 -0.457 2.113) 5.384 3.298 ( -0.946 -0.066 1.467) 1.747 3.385 ( 2.927 -6.093 -3.464) 7.595 3.488 ( -5.430 1.505 3.481) 6.624 3.549 ( -7.365 -5.093 3.549) 9.632 3.671 ( 3.740 -0.443 -2.331) 4.429 3.719 ( 1.704 -5.450 -2.323) 6.164 3.947 ( 1.809 9.687 -1.118) 9.917 4.035 ( 1.402 2.431 2.399) 3.692 4.162 ( -6.443 2.687 2.337) 7.362 4.208 ( -4.357 -1.452 5.122) 6.879 4.236 ( 3.164 -0.227 -2.510) 4.045 4.320 ( 6.550 -8.021 -8.262) 13.248 4.543 ( 3.843 5.039 1.197) 6.449 4.603 ( -2.364 2.176 0.598) 3.268 4.669 ( -0.338 -0.002 -4.620) 4.633 4.729 ( -5.856 -2.685 -6.918) 9.453 4.919 ( -1.170 4.166 3.602) 5.630 4.949 ( -0.647 1.657 6.615) 6.850 4.984 ( 0.678 5.395 -2.481) 5.977 5.079 ( -2.275 -1.405 2.924) 3.962 5.134 ( 1.012 -1.517 4.096) 4.484 5.148 ( -0.013 2.788 -3.644) 4.588 5.346 ( 5.887 1.179 1.110) 6.105 5.387 ( 4.104 -1.324 -2.631) 5.052 5.405 ( 2.185 1.477 1.584) 3.076 5.492 ( 5.296 4.379 1.435) 7.020 5.507 ( 1.597 -7.916 -0.474) 8.089 5.569 ( 6.056 -3.443 -2.273) 7.328 5.922 ( -0.304 6.733 0.968) 6.809 6.006 ( 2.213 0.509 0.599) 2.349 6.072 ( 2.750 1.122 -0.294) 2.985 6.108 ( 3.561 0.077 -1.428) 3.837 6.245 ( -2.674 0.433 -1.836) 3.273 6.278 ( -0.630 -1.683 -0.863) 1.994 6.370 ( 1.446 -4.299 -6.296) 7.760 6.410 ( 1.538 -5.363 -3.268) 6.466 6.626 ( -4.817 2.090 7.422) 9.091 6.640 ( -2.921 1.106 6.617) 7.317 6.836 ( -2.756 -0.658 4.229) 5.090 6.871 ( 4.305 -2.879 -2.926) 5.949 7.054 ( -0.277 0.430 0.427) 0.666 7.084 ( 2.107 -1.755 -3.237) 4.243 7.250 ( 9.078 1.376 -0.294) 9.187 7.309 ( 7.204 -3.335 -3.439) 8.651 7.564 ( 3.219 5.723 -1.682) 6.778 7.624 ( 5.903 -0.603 -3.029) 6.662 7.686 ( 0.238 3.808 6.184) 7.266 7.799 ( 1.745 -6.067 6.005) 8.713 7.848 ( 5.310 1.043 -2.248) 5.860 7.910 ( 10.987 -4.699 -0.561) 11.963 8.414 ( 1.485 3.190 -0.417) 3.543 8.456 ( 2.056 -0.719 3.168) 3.844 9.041 ( -3.067 6.977 -3.870) 8.547 9.111 ( -1.834 0.422 2.368) 3.025 9.749 ( -6.559 7.233 -0.799) 9.796 9.840 ( -5.061 -0.658 -1.178) 5.238 10.079 ( -3.775 5.482 -1.401) 6.802 10.124 ( -0.119 3.519 0.012) 3.521 10.235 ( -7.178 0.866 -1.373) 7.359 10.352 ( -4.684 -6.895 2.491) 8.700 10.455 ( -3.984 1.234 0.668) 4.224 10.507 ( -4.665 -3.115 0.518) 5.634 10.800 ( -4.154 4.458 -0.441) 6.109 10.875 ( -3.829 -1.176 0.276) 4.015 10.942 ( -0.373 0.013 1.850) 1.888 10.985 ( 0.515 -2.493 -1.338) 2.876 11.253 ( -1.468 2.527 -2.184) 3.648 11.307 ( 0.073 -2.506 0.668) 2.594 11.671 ( -2.103 1.924 5.639) 6.319 11.711 ( 1.370 -1.089 -2.189) 2.803 12.080 ( 0.602 0.549 0.738) 1.099 12.146 ( 3.730 -5.240 0.927) 6.498 12.319 ( -2.579 2.026 0.986) 3.424 12.346 ( -0.223 -0.928 -2.116) 2.321 12.638 ( -0.259 4.995 -1.590) 5.249 12.700 ( 2.043 0.507 -0.300) 2.126 13.131 ( -3.190 -2.323 1.612) 4.263 13.175 ( -0.761 -5.607 -0.576) 5.688 13.500 ( -2.283 -1.449 -0.461) 2.743 13.503 ( -2.401 -1.720 -0.290) 2.968 13.943 ( 1.222 -0.589 0.130) 1.363 13.950 ( 1.402 -1.441 -0.982) 2.237 14.303 ( -2.340 4.946 -0.089) 5.473 14.380 ( 1.286 -2.618 4.175) 5.093 14.634 ( -4.462 -0.508 -3.450) 5.663 14.656 ( -5.110 -2.885 -5.414) 7.985 15.379 ( 7.124 2.030 1.368) 7.533 15.418 ( 8.171 -1.839 0.122) 8.376 15.543 ( 1.431 3.079 -0.535) 3.437 15.604 ( 3.548 -3.357 1.031) 4.992 19.128 ( -1.722 21.791 4.526) 22.322 19.196 ( 3.692 22.381 -2.895) 22.868 19.656 ( -4.098 -13.870 -0.442) 14.470 19.821 ( 2.679 -22.692 -0.048) 22.849 20.683 ( -2.291 0.151 -1.749) 2.886 20.775 ( 0.809 -8.809 -0.355) 8.853 21.278 ( -1.347 4.025 -3.854) 5.734 21.334 ( 0.041 -1.802 0.969) 2.047 21.899 ( -12.586 9.210 4.680) 16.283 22.060 ( -3.603 -5.352 0.295) 6.459 22.188 ( -21.001 3.601 1.061) 21.334 22.296 ( -15.902 -6.240 -0.745) 17.099 22.354 ( -13.108 2.988 -1.310) 13.508 22.444 ( -8.810 -6.219 0.179) 10.786 23.517 ( 17.546 0.349 2.438) 17.718 23.580 ( 19.824 -5.820 0.973) 20.683 24.291 ( 12.130 2.256 -4.230) 13.043 24.337 ( 12.685 -1.817 -3.480) 13.278 24.368 ( 7.828 1.289 3.175) 8.546 24.390 ( 8.427 -1.507 2.550) 8.932 25.671 ( -1.049 2.074 -0.079) 2.325 25.681 ( -0.805 1.203 -0.263) 1.471 25.761 ( 0.672 2.780 -0.551) 2.913 25.791 ( 1.393 -0.075 0.706) 1.564 26.406 ( -2.810 0.621 -1.586) 3.286 26.420 ( -2.576 -0.769 0.018) 2.688 26.824 ( -3.079 0.815 0.370) 3.207 26.837 ( -2.726 -0.452 0.853) 2.892 ======================= Grid point 152 (70/72) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -19.631 1.245 4.858) 20.261 1.299 ( -15.155 -13.944 -0.788) 20.609 1.673 ( 3.427 3.910 -5.379) 7.481 1.774 ( 4.051 -4.491 -3.149) 6.819 2.142 ( 15.031 4.261 3.559) 16.024 2.243 ( 2.797 -3.887 8.434) 9.698 2.417 ( -2.976 2.122 6.524) 7.478 2.502 ( 4.637 -6.515 0.782) 8.035 2.712 ( 19.402 1.963 -6.572) 20.579 2.781 ( 21.983 -5.592 2.243) 22.793 2.953 ( -2.421 8.432 5.205) 10.201 3.057 ( -2.072 3.640 3.031) 5.170 3.176 ( 1.826 -1.241 -4.670) 5.166 3.286 ( 8.590 -6.622 -6.706) 12.752 3.327 ( 6.226 1.223 -0.985) 6.421 3.392 ( 4.851 -2.060 -2.384) 5.784 3.532 ( 8.145 -0.186 5.050) 9.586 3.545 ( 6.017 -3.392 -2.370) 7.303 3.719 ( 1.448 -3.398 -5.405) 6.547 3.738 ( 2.358 -5.551 1.032) 6.118 3.971 ( 2.795 9.185 -0.123) 9.601 4.049 ( 2.050 5.186 1.343) 5.736 4.138 ( 1.311 1.781 0.813) 2.356 4.192 ( -0.582 -2.487 3.842) 4.614 4.359 ( 2.497 -1.107 0.792) 2.844 4.409 ( 0.300 -6.519 -1.700) 6.744 4.428 ( -2.703 4.756 0.707) 5.516 4.507 ( -3.413 -1.813 -1.160) 4.035 4.634 ( 2.116 -0.682 -7.123) 7.462 4.672 ( -2.384 -2.137 2.935) 4.343 4.889 ( -3.061 11.584 2.658) 12.273 4.938 ( -2.259 5.463 -0.345) 5.921 5.039 ( -3.504 -3.479 1.968) 5.315 5.054 ( 4.321 -2.104 -1.393) 5.004 5.145 ( 1.161 1.410 0.242) 1.843 5.181 ( 3.659 0.402 -2.313) 4.348 5.382 ( 0.932 0.677 -2.661) 2.900 5.420 ( 1.551 -1.431 -3.837) 4.379 5.499 ( 3.838 0.919 2.938) 4.920 5.565 ( 4.956 -5.545 -0.807) 7.481 5.682 ( 7.932 2.559 5.007) 9.723 5.702 ( 6.633 0.696 0.071) 6.670 5.922 ( -0.211 5.786 1.615) 6.011 6.050 ( 1.983 -4.415 0.863) 4.916 6.115 ( 0.312 1.098 3.004) 3.213 6.132 ( 0.846 -0.589 -2.079) 2.320 6.211 ( 2.563 3.400 -5.755) 7.159 6.263 ( -1.076 2.608 0.580) 2.880 6.340 ( -0.275 -3.577 -5.923) 6.925 6.428 ( 1.837 -7.255 1.374) 7.609 6.595 ( -3.541 0.146 7.497) 8.293 6.630 ( -2.191 -2.141 3.401) 4.577 6.824 ( 0.510 5.499 0.276) 5.529 6.930 ( 3.596 -2.995 -6.237) 7.798 7.061 ( -0.059 1.645 1.783) 2.427 7.122 ( 1.950 -3.090 3.608) 5.135 7.303 ( -3.105 3.898 -5.126) 7.150 7.371 ( 2.027 -3.734 -1.214) 4.418 7.677 ( 5.307 6.026 4.602) 9.255 7.745 ( 5.318 -0.942 -1.182) 5.529 7.782 ( 11.836 4.382 -6.753) 14.314 7.933 ( 12.497 -9.536 -4.190) 16.269 8.018 ( 11.170 7.020 5.276) 14.209 8.182 ( 13.219 -9.424 6.186) 17.373 8.455 ( 2.571 4.629 0.484) 5.317 8.517 ( 1.933 -1.167 3.688) 4.324 8.952 ( -3.035 6.681 -4.674) 8.700 9.066 ( -3.812 -3.839 1.046) 5.510 9.621 ( -6.883 4.329 1.034) 8.197 9.693 ( -8.907 -2.617 -0.686) 9.308 9.948 ( -8.354 6.308 0.533) 10.481 10.026 ( -7.915 -1.855 -3.920) 9.025 10.101 ( -7.761 6.046 -0.310) 9.843 10.171 ( -12.910 -2.471 0.717) 13.164 10.413 ( -3.775 -0.940 0.677) 3.949 10.431 ( -0.804 -1.997 0.931) 2.345 10.712 ( -4.401 4.729 -1.450) 6.620 10.787 ( -4.987 -2.199 -0.416) 5.467 10.878 ( -6.381 4.414 0.897) 7.811 10.983 ( -0.969 -4.816 2.278) 5.415 11.200 ( -2.025 4.542 -2.668) 5.644 11.299 ( -0.453 -4.716 -1.452) 4.955 11.688 ( -0.059 1.516 5.726) 5.924 11.727 ( 1.111 -1.591 -0.667) 2.052 12.107 ( 1.308 5.226 1.443) 5.577 12.233 ( 3.795 -6.961 2.059) 8.192 12.277 ( -2.077 3.793 0.491) 4.353 12.340 ( 1.132 -3.467 -1.814) 4.074 12.629 ( 0.522 5.499 -1.747) 5.793 12.724 ( 0.601 -1.002 -0.480) 1.263 13.082 ( -2.862 -2.310 2.528) 4.462 13.145 ( -1.537 -6.688 -1.149) 6.958 13.437 ( -4.126 -1.297 1.039) 4.448 13.443 ( -2.813 -1.802 -2.101) 3.947 13.968 ( 1.197 -0.028 -0.347) 1.246 13.984 ( 2.224 -1.744 1.131) 3.044 14.211 ( -5.687 8.095 -2.389) 10.177 14.373 ( -4.690 -8.134 -0.928) 9.435 14.589 ( 2.532 1.353 -0.811) 2.983 14.619 ( 3.600 -1.739 0.224) 4.004 15.511 ( 5.553 1.378 -4.806) 7.472 15.532 ( 5.434 -0.648 -4.299) 6.959 15.611 ( 4.241 3.895 3.971) 6.995 15.697 ( 4.039 -4.856 4.173) 7.570 19.137 ( -0.486 22.279 5.324) 22.912 19.245 ( 2.884 24.714 -3.480) 25.124 19.596 ( -2.046 -14.624 1.323) 14.826 19.834 ( -0.884 -25.148 -1.937) 25.238 20.645 ( -0.300 3.543 -1.590) 3.895 20.761 ( -1.357 -7.981 -2.024) 8.344 21.229 ( -1.007 6.906 -3.445) 7.783 21.333 ( -0.301 -3.359 -0.236) 3.381 21.650 ( -13.964 8.992 4.367) 17.173 21.769 ( -18.610 -1.715 2.374) 18.839 21.897 ( -15.207 1.944 0.434) 15.337 21.983 ( -15.192 -5.197 1.226) 16.103 22.220 ( -0.385 -2.265 -1.748) 2.887 22.320 ( -3.947 -9.880 0.303) 10.644 23.787 ( 7.805 0.686 1.945) 8.073 23.845 ( 6.522 -5.074 0.366) 8.272 24.524 ( 15.433 3.903 -2.754) 16.155 24.560 ( 14.185 0.361 0.085) 14.190 24.628 ( 14.382 0.047 0.610) 14.395 24.681 ( 15.366 -4.881 0.819) 16.143 25.647 ( -1.465 1.916 0.053) 2.412 25.657 ( -1.424 0.825 -0.238) 1.663 25.778 ( 1.275 3.977 -0.638) 4.225 25.823 ( 1.370 -0.458 0.459) 1.516 26.327 ( -4.020 1.316 -1.368) 4.446 26.354 ( -3.938 -1.306 -0.116) 4.150 26.752 ( -4.273 1.246 0.208) 4.455 26.770 ( -4.439 -0.503 0.835) 4.545 ======================= Grid point 153 (71/72) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -15.861 -1.523 8.943) 18.272 0.995 ( -15.113 -18.596 -1.781) 24.028 1.737 ( 5.565 0.448 -1.124) 5.695 1.854 ( 4.854 -9.809 -0.566) 10.959 2.189 ( -7.949 4.863 0.656) 9.341 2.291 ( -8.288 -6.087 1.986) 10.473 2.446 ( 9.591 8.062 6.034) 13.906 2.608 ( 6.768 -7.900 4.522) 11.344 2.822 ( -1.667 9.929 -5.028) 11.254 2.945 ( -0.521 -1.420 -0.667) 1.653 3.071 ( 1.705 3.355 3.793) 5.343 3.174 ( -0.615 -5.787 5.665) 8.122 3.269 ( 12.980 0.629 -0.419) 13.002 3.326 ( 7.273 -4.066 -1.112) 8.406 3.464 ( 6.657 1.909 -10.437) 12.525 3.506 ( 9.613 -1.352 -6.650) 11.767 3.601 ( 0.691 0.312 -4.681) 4.742 3.670 ( -1.026 -5.499 -4.786) 7.362 3.790 ( 9.851 0.813 4.290) 10.775 3.836 ( 5.265 -2.112 2.292) 6.119 4.057 ( 5.216 7.341 1.526) 9.134 4.137 ( 6.045 4.925 -2.167) 8.093 4.181 ( 1.345 0.279 0.599) 1.499 4.215 ( 0.063 4.796 3.432) 5.898 4.286 ( -0.944 -3.806 2.189) 4.491 4.331 ( -1.998 -6.851 4.862) 8.635 4.466 ( -4.333 0.418 -1.381) 4.567 4.513 ( -3.190 -2.031 7.635) 8.520 4.684 ( 4.020 0.188 -0.030) 4.024 4.706 ( 8.640 -2.427 -9.154) 12.819 4.862 ( -0.093 7.829 0.337) 7.837 4.910 ( 0.020 3.169 -1.069) 3.344 4.977 ( -1.941 -0.576 3.388) 3.947 5.095 ( -0.029 -6.582 -1.119) 6.676 5.165 ( 1.770 4.733 -1.309) 5.220 5.242 ( 2.778 -1.457 -1.815) 3.624 5.373 ( 0.551 2.318 -4.633) 5.209 5.398 ( -1.264 0.256 -3.213) 3.463 5.584 ( 2.348 1.711 4.590) 5.432 5.643 ( 1.294 -3.905 2.672) 4.905 5.725 ( -0.190 2.526 -3.577) 4.383 5.771 ( -1.329 -1.113 -0.683) 1.863 5.966 ( 1.332 5.764 5.679) 8.201 6.081 ( -3.588 4.551 0.023) 5.795 6.110 ( 1.024 -6.759 5.240) 8.614 6.156 ( 0.962 -3.162 -0.065) 3.306 6.256 ( 5.443 -0.111 -3.569) 6.510 6.299 ( 3.835 -1.979 -2.115) 4.806 6.352 ( 5.236 6.225 3.594) 8.893 6.467 ( -0.206 -4.169 2.077) 4.662 6.555 ( -2.724 0.626 0.306) 2.812 6.621 ( 0.249 -3.924 -0.228) 3.938 6.821 ( -0.264 4.294 -3.361) 5.459 6.913 ( -0.727 -2.457 -8.081) 8.477 7.073 ( -0.318 4.324 4.257) 6.076 7.164 ( -2.385 -0.018 0.919) 2.556 7.232 ( 1.458 0.840 0.842) 1.881 7.359 ( -1.782 -7.886 -0.327) 8.092 7.782 ( 3.420 3.758 1.901) 5.425 7.812 ( 2.880 0.882 -1.863) 3.542 8.012 ( 12.037 6.962 -0.788) 13.927 8.136 ( 8.264 -1.831 -2.943) 8.962 8.299 ( 13.915 3.176 1.293) 14.331 8.439 ( 8.757 -6.870 4.270) 11.921 8.523 ( 5.106 4.352 -1.903) 6.974 8.578 ( 2.285 -1.972 3.918) 4.946 8.886 ( -1.213 2.727 -2.286) 3.760 8.985 ( -4.601 -6.548 -0.278) 8.008 9.472 ( -9.030 1.379 0.644) 9.157 9.509 ( -9.227 -2.170 0.560) 9.495 9.796 ( -6.833 5.649 -1.581) 9.005 9.872 ( -4.626 -0.770 -3.505) 5.855 9.896 ( -11.784 2.001 1.451) 12.040 9.943 ( -9.545 -2.002 2.346) 10.031 10.372 ( -1.057 1.784 -0.371) 2.107 10.406 ( -1.673 -1.444 -0.792) 2.348 10.619 ( -3.372 4.048 -2.131) 5.683 10.675 ( -6.301 -0.295 0.155) 6.309 10.804 ( -0.488 7.580 2.360) 7.954 10.950 ( -3.752 -4.143 0.434) 5.607 11.178 ( 1.198 2.604 -0.516) 2.913 11.272 ( -1.417 -5.396 -1.713) 5.836 11.720 ( 0.389 0.360 3.022) 3.068 11.739 ( 0.356 -1.183 -0.263) 1.263 12.144 ( 1.243 7.496 2.330) 7.948 12.229 ( -2.277 4.784 -0.192) 5.302 12.313 ( 2.536 -6.220 1.398) 6.861 12.362 ( 1.693 -5.898 -2.012) 6.458 12.643 ( 1.700 4.839 -0.555) 5.159 12.718 ( -1.112 -0.167 0.024) 1.125 13.061 ( -1.068 -3.215 3.590) 4.936 13.110 ( -0.806 -6.671 -2.740) 7.257 13.371 ( -2.756 -1.121 0.472) 3.012 13.380 ( -2.335 -2.181 -1.150) 3.396 13.989 ( 0.792 1.868 1.076) 2.296 14.036 ( 1.711 -2.584 0.846) 3.212 14.106 ( -2.894 6.443 -0.745) 7.102 14.248 ( -5.127 -7.334 -4.554) 10.041 14.682 ( 4.667 1.299 1.874) 5.194 14.711 ( 3.910 -1.650 1.165) 4.401 15.553 ( 2.557 1.206 -3.705) 4.661 15.577 ( 1.944 -1.154 -4.146) 4.722 15.721 ( 4.161 2.602 3.050) 5.778 15.779 ( 1.653 -3.257 2.975) 4.711 19.170 ( 0.324 23.345 5.937) 24.091 19.253 ( 0.665 26.402 -5.341) 26.945 19.604 ( 1.146 -17.869 3.958) 18.338 19.770 ( -3.378 -23.138 -3.944) 23.714 20.652 ( 1.567 2.180 -1.144) 2.918 20.716 ( -1.659 -4.227 -1.456) 4.769 21.207 ( 0.683 7.421 -2.361) 7.818 21.318 ( -1.070 -3.421 -0.521) 3.622 21.455 ( -8.697 7.509 3.954) 12.151 21.473 ( -12.396 4.447 -0.023) 13.169 21.670 ( -6.447 -3.083 -0.500) 7.163 21.752 ( -9.612 -8.203 2.370) 12.856 22.228 ( 1.210 -5.106 -0.646) 5.287 22.273 ( -1.619 -8.759 0.362) 8.915 23.873 ( 1.470 -0.606 1.160) 1.968 23.897 ( 0.459 -2.908 -0.398) 2.971 24.795 ( 11.769 3.872 -0.207) 12.391 24.831 ( 11.206 2.285 -0.004) 11.437 24.868 ( 9.920 -2.155 0.187) 10.153 24.922 ( 8.727 -5.061 -0.323) 10.094 25.617 ( -1.556 1.987 0.030) 2.523 25.625 ( -1.782 1.082 0.082) 2.086 25.799 ( 1.328 3.753 -0.585) 4.024 25.840 ( 0.110 -0.272 -0.190) 0.350 26.256 ( -2.419 1.498 -0.126) 2.848 26.282 ( -3.166 -1.063 0.068) 3.340 26.677 ( -3.018 0.972 -0.364) 3.191 26.691 ( -3.780 -0.347 0.511) 3.830 ======================= Grid point 154 (72/72) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -4.455 -11.816 -9.038) 15.529 0.744 ( 4.455 -11.816 9.038) 15.529 1.861 ( -5.028 -4.529 -2.106) 7.087 1.861 ( 5.028 -4.529 2.106) 7.087 2.132 ( -3.791 -3.136 -2.257) 5.413 2.132 ( 3.791 -3.136 2.257) 5.413 2.654 ( -4.092 6.023 -8.581) 11.253 2.654 ( 4.092 6.023 8.581) 11.253 2.842 ( -6.143 0.336 -6.860) 9.214 2.842 ( 6.143 0.336 6.860) 9.214 3.114 ( -0.633 -4.839 -3.565) 6.044 3.114 ( 0.633 -4.839 3.565) 6.044 3.428 ( 0.587 3.039 -4.244) 5.253 3.428 ( -0.587 3.039 4.244) 5.253 3.537 ( 2.158 -0.923 -3.610) 4.306 3.537 ( -2.158 -0.923 3.610) 4.306 3.606 ( 1.711 -2.545 -4.673) 5.590 3.606 ( -1.711 -2.545 4.673) 5.590 3.892 ( -0.599 0.901 -1.486) 1.839 3.892 ( 0.599 0.901 1.486) 1.839 4.153 ( -0.741 3.463 -2.650) 4.423 4.153 ( 0.741 3.463 2.650) 4.423 4.258 ( 2.416 2.153 -4.308) 5.388 4.258 ( -2.416 2.153 4.308) 5.388 4.308 ( -0.544 0.061 -1.644) 1.733 4.308 ( 0.544 0.061 1.644) 1.733 4.436 ( 6.064 -4.155 -7.317) 10.372 4.436 ( -6.064 -4.155 7.317) 10.372 4.749 ( 0.043 -0.612 -5.093) 5.130 4.749 ( -0.043 -0.612 5.093) 5.130 4.884 ( -0.367 2.655 -3.573) 4.467 4.884 ( 0.367 2.655 3.573) 4.467 5.045 ( -4.202 -3.341 -0.727) 5.417 5.045 ( 4.202 -3.341 0.727) 5.417 5.221 ( -2.443 2.024 -2.874) 4.281 5.221 ( 2.443 2.024 2.874) 4.281 5.366 ( 0.857 1.280 -2.112) 2.614 5.366 ( -0.857 1.280 2.112) 2.614 5.633 ( -0.842 1.649 -1.903) 2.655 5.633 ( 0.842 1.649 1.903) 2.655 5.726 ( -0.211 -1.980 -0.179) 2.000 5.726 ( 0.211 -1.980 0.179) 2.000 6.018 ( -1.658 5.788 -3.247) 6.841 6.018 ( 1.658 5.788 3.247) 6.841 6.143 ( -0.391 -5.688 -2.495) 6.223 6.143 ( 0.391 -5.688 2.495) 6.223 6.339 ( 0.942 1.030 -4.188) 4.414 6.339 ( -0.942 1.030 4.188) 4.414 6.455 ( -3.337 -2.693 -2.116) 4.782 6.455 ( 3.337 -2.693 2.116) 4.782 6.569 ( -4.034 3.511 -5.951) 8.001 6.569 ( 4.034 3.511 5.951) 8.001 6.833 ( -1.690 -2.255 -5.291) 5.994 6.833 ( 1.690 -2.255 5.291) 5.994 7.106 ( -0.254 5.706 -5.079) 7.643 7.106 ( 0.254 5.706 5.079) 7.643 7.305 ( -0.648 -7.059 -4.763) 8.540 7.305 ( 0.648 -7.059 4.763) 8.540 7.828 ( -0.256 2.028 -1.413) 2.485 7.828 ( 0.256 2.028 1.413) 2.485 8.171 ( -1.218 6.227 -4.308) 7.669 8.171 ( 1.218 6.227 4.308) 7.669 8.498 ( 0.832 -1.325 -3.470) 3.806 8.498 ( -0.832 -1.325 3.470) 3.806 8.610 ( 2.747 0.331 -5.363) 6.034 8.610 ( -2.747 0.331 5.363) 6.034 8.899 ( 1.165 -4.299 -6.303) 7.718 8.899 ( -1.165 -4.299 6.303) 7.718 9.383 ( -1.746 -0.901 -0.565) 2.044 9.383 ( 1.746 -0.901 0.565) 2.044 9.728 ( 2.819 1.559 -1.271) 3.463 9.728 ( -2.819 1.559 1.271) 3.463 9.848 ( 2.015 0.242 -2.172) 2.973 9.848 ( -2.015 0.242 2.172) 2.973 10.371 ( -0.638 -0.087 -1.250) 1.406 10.371 ( 0.638 -0.087 1.250) 1.406 10.592 ( 1.252 3.692 -1.396) 4.141 10.592 ( -1.252 3.692 1.396) 4.141 10.862 ( -2.107 2.639 -4.014) 5.245 10.862 ( 2.107 2.639 4.014) 5.245 11.223 ( -1.954 -3.079 -1.880) 4.103 11.223 ( 1.954 -3.079 1.880) 4.103 11.737 ( 1.767 -0.621 -5.863) 6.155 11.737 ( -1.767 -0.621 5.863) 6.155 12.184 ( 0.013 6.875 -4.213) 8.064 12.184 ( -0.013 6.875 4.213) 8.064 12.358 ( -0.736 -6.368 -2.273) 6.802 12.358 ( 0.736 -6.368 2.273) 6.802 12.683 ( -1.790 2.539 -0.339) 3.125 12.683 ( 1.790 2.539 0.339) 3.125 13.079 ( -0.180 -5.130 -4.063) 6.546 13.079 ( 0.180 -5.130 4.063) 6.546 13.348 ( 0.896 -1.798 -3.092) 3.687 13.348 ( -0.896 -1.798 3.092) 3.687 14.017 ( -1.026 3.338 -2.588) 4.347 14.017 ( 1.026 3.338 2.588) 4.347 14.139 ( -3.077 -4.072 -4.595) 6.868 14.139 ( 3.077 -4.072 4.595) 6.868 14.747 ( -0.691 -0.235 -0.570) 0.926 14.747 ( 0.691 -0.235 0.570) 0.926 15.574 ( -0.033 -0.057 -0.806) 0.808 15.574 ( 0.033 -0.057 0.806) 0.808 15.789 ( -1.631 -0.382 0.124) 1.680 15.789 ( 1.631 -0.382 -0.124) 1.680 19.216 ( 4.076 25.018 -16.261) 30.115 19.216 ( -4.076 25.018 16.261) 30.115 19.676 ( 0.367 -20.203 -10.095) 22.587 19.676 ( -0.367 -20.203 10.095) 22.587 20.682 ( -1.346 -0.795 -0.263) 1.585 20.682 ( 1.346 -0.795 0.263) 1.585 21.250 ( -3.151 3.225 -0.679) 4.559 21.250 ( 3.151 3.225 0.679) 4.559 21.366 ( 1.593 6.479 -4.219) 7.894 21.366 ( -1.593 6.479 4.219) 7.894 21.640 ( 1.847 -8.131 -2.679) 8.758 21.640 ( -1.847 -8.131 2.679) 8.758 22.249 ( 0.877 -6.992 -2.905) 7.623 22.249 ( -0.877 -6.992 2.905) 7.623 23.892 ( 0.052 -1.639 -1.311) 2.100 23.892 ( -0.052 -1.639 1.311) 2.100 24.926 ( -0.145 3.200 -1.746) 3.649 24.926 ( 0.145 3.200 1.746) 3.649 24.994 ( -0.827 -3.754 -1.414) 4.096 24.994 ( 0.827 -3.754 1.414) 4.096 25.601 ( 0.169 1.863 -0.479) 1.931 25.601 ( -0.169 1.863 0.479) 1.931 25.824 ( -1.317 1.496 -0.141) 1.998 25.824 ( 1.317 1.496 0.141) 1.998 26.242 ( -0.795 0.387 -0.263) 0.923 26.242 ( 0.795 0.387 0.263) 0.923 26.648 ( 0.442 0.179 -0.825) 0.953 26.648 ( -0.442 0.179 0.825) 0.953 =================== 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 3/29568 10.0 125.735 72.603 160.694 0.000 -16.018 0.000 3/29568 20.0 30.526 14.842 33.123 0.000 -6.329 0.000 3/29568 30.0 14.314 6.772 14.170 0.000 -2.755 0.000 3/29568 40.0 8.705 4.136 8.187 0.000 -1.524 0.000 3/29568 50.0 6.117 2.945 5.581 0.000 -0.994 0.000 3/29568 60.0 4.695 2.297 4.204 0.000 -0.722 0.000 3/29568 70.0 3.816 1.898 3.375 0.000 -0.564 0.000 3/29568 80.0 3.226 1.629 2.828 0.000 -0.462 0.000 3/29568 90.0 2.804 1.437 2.442 0.000 -0.392 0.000 3/29568 100.0 2.488 1.292 2.155 0.000 -0.340 0.000 3/29568 110.0 2.241 1.179 1.933 0.000 -0.302 0.000 3/29568 120.0 2.044 1.089 1.757 0.000 -0.271 0.000 3/29568 130.0 1.883 1.015 1.613 0.000 -0.247 0.000 3/29568 140.0 1.748 0.954 1.494 0.000 -0.227 0.000 3/29568 150.0 1.634 0.902 1.393 0.000 -0.210 0.000 3/29568 160.0 1.536 0.858 1.306 0.000 -0.196 0.000 3/29568 170.0 1.452 0.820 1.232 0.000 -0.184 0.000 3/29568 180.0 1.377 0.787 1.166 0.000 -0.173 0.000 3/29568 190.0 1.312 0.757 1.108 0.000 -0.164 0.000 3/29568 200.0 1.254 0.731 1.056 0.000 -0.156 0.000 3/29568 210.0 1.202 0.707 1.010 0.000 -0.149 0.000 3/29568 220.0 1.155 0.685 0.967 0.000 -0.142 0.000 3/29568 230.0 1.112 0.665 0.929 0.000 -0.137 0.000 3/29568 240.0 1.073 0.647 0.894 0.000 -0.131 0.000 3/29568 250.0 1.037 0.630 0.862 0.000 -0.126 0.000 3/29568 260.0 1.004 0.613 0.832 0.000 -0.122 0.000 3/29568 270.0 0.974 0.598 0.804 0.000 -0.118 0.000 3/29568 280.0 0.945 0.584 0.778 0.000 -0.114 0.000 3/29568 290.0 0.919 0.570 0.754 0.000 -0.110 0.000 3/29568 300.0 0.894 0.557 0.731 0.000 -0.107 0.000 3/29568 310.0 0.870 0.545 0.710 0.000 -0.104 0.000 3/29568 320.0 0.848 0.533 0.690 0.000 -0.101 0.000 3/29568 330.0 0.827 0.522 0.671 0.000 -0.098 0.000 3/29568 340.0 0.807 0.511 0.654 0.000 -0.095 0.000 3/29568 350.0 0.788 0.501 0.637 0.000 -0.093 0.000 3/29568 360.0 0.771 0.491 0.621 0.000 -0.090 0.000 3/29568 370.0 0.753 0.481 0.605 0.000 -0.088 0.000 3/29568 380.0 0.737 0.472 0.591 0.000 -0.086 0.000 3/29568 390.0 0.722 0.463 0.577 0.000 -0.084 0.000 3/29568 400.0 0.707 0.454 0.564 0.000 -0.082 0.000 3/29568 410.0 0.692 0.446 0.551 0.000 -0.080 0.000 3/29568 420.0 0.678 0.437 0.539 0.000 -0.078 0.000 3/29568 430.0 0.665 0.430 0.528 0.000 -0.077 0.000 3/29568 440.0 0.653 0.422 0.517 0.000 -0.075 0.000 3/29568 450.0 0.640 0.415 0.506 0.000 -0.073 0.000 3/29568 460.0 0.629 0.408 0.496 0.000 -0.072 0.000 3/29568 470.0 0.617 0.401 0.486 0.000 -0.071 0.000 3/29568 480.0 0.606 0.394 0.477 0.000 -0.069 0.000 3/29568 490.0 0.596 0.387 0.468 0.000 -0.068 0.000 3/29568 500.0 0.585 0.381 0.459 0.000 -0.067 0.000 3/29568 510.0 0.575 0.375 0.451 0.000 -0.065 0.000 3/29568 520.0 0.566 0.369 0.443 0.000 -0.064 0.000 3/29568 530.0 0.557 0.363 0.435 0.000 -0.063 0.000 3/29568 540.0 0.548 0.358 0.427 0.000 -0.062 0.000 3/29568 550.0 0.539 0.352 0.420 0.000 -0.061 0.000 3/29568 560.0 0.530 0.347 0.413 0.000 -0.060 0.000 3/29568 570.0 0.522 0.342 0.406 0.000 -0.059 0.000 3/29568 580.0 0.514 0.337 0.400 0.000 -0.058 0.000 3/29568 590.0 0.507 0.332 0.393 0.000 -0.057 0.000 3/29568 600.0 0.499 0.327 0.387 0.000 -0.056 0.000 3/29568 610.0 0.492 0.323 0.381 0.000 -0.055 0.000 3/29568 620.0 0.485 0.318 0.375 0.000 -0.054 0.000 3/29568 630.0 0.478 0.314 0.370 0.000 -0.053 0.000 3/29568 640.0 0.471 0.309 0.364 0.000 -0.053 0.000 3/29568 650.0 0.465 0.305 0.359 0.000 -0.052 0.000 3/29568 660.0 0.458 0.301 0.354 0.000 -0.051 0.000 3/29568 670.0 0.452 0.297 0.349 0.000 -0.050 0.000 3/29568 680.0 0.446 0.293 0.344 0.000 -0.050 0.000 3/29568 690.0 0.440 0.290 0.339 0.000 -0.049 0.000 3/29568 700.0 0.434 0.286 0.334 0.000 -0.048 0.000 3/29568 710.0 0.429 0.282 0.330 0.000 -0.048 0.000 3/29568 720.0 0.423 0.279 0.325 0.000 -0.047 0.000 3/29568 730.0 0.418 0.275 0.321 0.000 -0.046 0.000 3/29568 740.0 0.413 0.272 0.317 0.000 -0.046 0.000 3/29568 750.0 0.408 0.269 0.313 0.000 -0.045 0.000 3/29568 760.0 0.403 0.266 0.309 0.000 -0.045 0.000 3/29568 770.0 0.398 0.263 0.305 0.000 -0.044 0.000 3/29568 780.0 0.393 0.259 0.301 0.000 -0.044 0.000 3/29568 790.0 0.389 0.256 0.298 0.000 -0.043 0.000 3/29568 800.0 0.384 0.254 0.294 0.000 -0.042 0.000 3/29568 810.0 0.380 0.251 0.291 0.000 -0.042 0.000 3/29568 820.0 0.376 0.248 0.287 0.000 -0.041 0.000 3/29568 830.0 0.371 0.245 0.284 0.000 -0.041 0.000 3/29568 840.0 0.367 0.242 0.280 0.000 -0.040 0.000 3/29568 850.0 0.363 0.240 0.277 0.000 -0.040 0.000 3/29568 860.0 0.359 0.237 0.274 0.000 -0.040 0.000 3/29568 870.0 0.355 0.235 0.271 0.000 -0.039 0.000 3/29568 880.0 0.352 0.232 0.268 0.000 -0.039 0.000 3/29568 890.0 0.348 0.230 0.265 0.000 -0.038 0.000 3/29568 900.0 0.344 0.228 0.262 0.000 -0.038 0.000 3/29568 910.0 0.341 0.225 0.260 0.000 -0.037 0.000 3/29568 920.0 0.337 0.223 0.257 0.000 -0.037 0.000 3/29568 930.0 0.334 0.221 0.254 0.000 -0.037 0.000 3/29568 940.0 0.330 0.218 0.251 0.000 -0.036 0.000 3/29568 950.0 0.327 0.216 0.249 0.000 -0.036 0.000 3/29568 960.0 0.324 0.214 0.246 0.000 -0.036 0.000 3/29568 970.0 0.321 0.212 0.244 0.000 -0.035 0.000 3/29568 980.0 0.318 0.210 0.241 0.000 -0.035 0.000 3/29568 990.0 0.315 0.208 0.239 0.000 -0.034 0.000 3/29568 1000.0 0.312 0.206 0.237 0.000 -0.034 0.000 3/29568 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:08:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|