----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:13:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.757272760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): *1 Sm 0.10994585356474 0.25000000000000 0.77782966377991 150.360 *2 Sm 0.13711991913530 0.25000000000000 0.44416712620839 150.360 3 Sm 0.36288008086470 0.75000000000000 0.94416712620840 150.360 4 Sm 0.39005414643526 0.75000000000000 0.27782966377991 150.360 5 Sm 0.60994585356474 0.25000000000000 0.72217033622009 150.360 6 Sm 0.63711991913530 0.25000000000000 0.05583287379161 150.360 7 Sm 0.86288008086470 0.75000000000000 0.55583287379160 150.360 8 Sm 0.89005414643526 0.75000000000000 0.22217033622009 150.360 *9 Ti 0.17885547205807 0.25000000000000 0.12198114596941 47.867 10 Ti 0.32114452794193 0.75000000000000 0.62198114596941 47.867 11 Ti 0.67885547205807 0.25000000000000 0.37801885403059 47.867 12 Ti 0.82114452794193 0.75000000000000 0.87801885403059 47.867 *13 O 0.00802580706195 0.75000000000000 0.39600955755688 15.999 *14 O 0.01439828546188 0.25000000000000 0.15693932886339 15.999 *15 O 0.22317617181973 0.25000000000000 0.96058394067548 15.999 *16 O 0.23693845369824 0.75000000000000 0.11925172838266 15.999 *17 O 0.23802718564129 0.75000000000000 0.77076194121849 15.999 18 O 0.26197281435871 0.25000000000000 0.27076194121849 15.999 19 O 0.26306154630176 0.25000000000000 0.61925172838266 15.999 20 O 0.27682382818027 0.75000000000000 0.46058394067548 15.999 21 O 0.48560171453812 0.75000000000000 0.65693932886339 15.999 22 O 0.49197419293805 0.25000000000000 0.89600955755687 15.999 23 O 0.50802580706195 0.75000000000000 0.10399044244312 15.999 24 O 0.51439828546188 0.25000000000000 0.34306067113661 15.999 25 O 0.72317617181973 0.25000000000000 0.53941605932452 15.999 26 O 0.73693845369824 0.75000000000000 0.38074827161733 15.999 27 O 0.73802718564129 0.75000000000000 0.72923805878151 15.999 28 O 0.76197281435871 0.25000000000000 0.22923805878151 15.999 29 O 0.76306154630176 0.25000000000000 0.88074827161734 15.999 30 O 0.77682382818027 0.75000000000000 0.03941605932452 15.999 31 O 0.98560171453812 0.75000000000000 0.84306067113661 15.999 32 O 0.99197419293805 0.25000000000000 0.60399044244313 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.757272760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): *1 Sm 0.10994585356474 0.25000000000000 0.77782966377991 150.360 > 1 *2 Sm 0.13711991913530 0.25000000000000 0.44416712620839 150.360 > 2 3 Sm 0.36288008086470 0.75000000000000 0.94416712620840 150.360 > 3 4 Sm 0.39005414643526 0.75000000000000 0.27782966377991 150.360 > 4 5 Sm 0.60994585356474 0.25000000000000 0.72217033622009 150.360 > 5 6 Sm 0.63711991913530 0.25000000000000 0.05583287379161 150.360 > 6 7 Sm 0.86288008086470 0.75000000000000 0.55583287379160 150.360 > 7 8 Sm 0.89005414643526 0.75000000000000 0.22217033622009 150.360 > 8 *9 Ti 0.17885547205807 0.25000000000000 0.12198114596941 47.867 > 9 10 Ti 0.32114452794193 0.75000000000000 0.62198114596941 47.867 > 10 11 Ti 0.67885547205807 0.25000000000000 0.37801885403059 47.867 > 11 12 Ti 0.82114452794193 0.75000000000000 0.87801885403059 47.867 > 12 *13 O 0.00802580706195 0.75000000000000 0.39600955755688 15.999 > 13 *14 O 0.01439828546188 0.25000000000000 0.15693932886339 15.999 > 14 *15 O 0.22317617181973 0.25000000000000 0.96058394067548 15.999 > 15 *16 O 0.23693845369824 0.75000000000000 0.11925172838266 15.999 > 16 *17 O 0.23802718564129 0.75000000000000 0.77076194121849 15.999 > 17 18 O 0.26197281435871 0.25000000000000 0.27076194121849 15.999 > 18 19 O 0.26306154630176 0.25000000000000 0.61925172838266 15.999 > 19 20 O 0.27682382818027 0.75000000000000 0.46058394067548 15.999 > 20 21 O 0.48560171453812 0.75000000000000 0.65693932886339 15.999 > 21 22 O 0.49197419293805 0.25000000000000 0.89600955755687 15.999 > 22 23 O 0.50802580706195 0.75000000000000 0.10399044244312 15.999 > 23 24 O 0.51439828546188 0.25000000000000 0.34306067113661 15.999 > 24 25 O 0.72317617181973 0.25000000000000 0.53941605932452 15.999 > 25 26 O 0.73693845369824 0.75000000000000 0.38074827161733 15.999 > 26 27 O 0.73802718564129 0.75000000000000 0.72923805878151 15.999 > 27 28 O 0.76197281435871 0.25000000000000 0.22923805878151 15.999 > 28 29 O 0.76306154630176 0.25000000000000 0.88074827161734 15.999 > 29 30 O 0.77682382818027 0.75000000000000 0.03941605932452 15.999 > 30 31 O 0.98560171453812 0.75000000000000 0.84306067113661 15.999 > 31 32 O 0.99197419293805 0.25000000000000 0.60399044244313 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.271818280000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): *1 Sm 0.10994585356474 0.08333333333333 0.77782966377991 150.360 > 1 2 Sm 0.10994585356474 0.41666666666667 0.77782966377991 150.360 > 1 3 Sm 0.10994585356474 0.75000000000000 0.77782966377991 150.360 > 1 *4 Sm 0.13711991913530 0.08333333333333 0.44416712620839 150.360 > 2 5 Sm 0.13711991913530 0.41666666666667 0.44416712620839 150.360 > 2 6 Sm 0.13711991913530 0.75000000000000 0.44416712620839 150.360 > 2 7 Sm 0.36288008086470 0.25000000000000 0.94416712620840 150.360 > 3 8 Sm 0.36288008086470 0.58333333333333 0.94416712620840 150.360 > 3 9 Sm 0.36288008086470 0.91666666666667 0.94416712620840 150.360 > 3 10 Sm 0.39005414643526 0.25000000000000 0.27782966377991 150.360 > 4 11 Sm 0.39005414643526 0.58333333333333 0.27782966377991 150.360 > 4 12 Sm 0.39005414643526 0.91666666666667 0.27782966377991 150.360 > 4 13 Sm 0.60994585356474 0.08333333333333 0.72217033622009 150.360 > 5 14 Sm 0.60994585356474 0.41666666666667 0.72217033622009 150.360 > 5 15 Sm 0.60994585356474 0.75000000000000 0.72217033622009 150.360 > 5 16 Sm 0.63711991913530 0.08333333333333 0.05583287379161 150.360 > 6 17 Sm 0.63711991913530 0.41666666666667 0.05583287379161 150.360 > 6 18 Sm 0.63711991913530 0.75000000000000 0.05583287379161 150.360 > 6 19 Sm 0.86288008086470 0.25000000000000 0.55583287379160 150.360 > 7 20 Sm 0.86288008086470 0.58333333333333 0.55583287379160 150.360 > 7 21 Sm 0.86288008086470 0.91666666666667 0.55583287379160 150.360 > 7 22 Sm 0.89005414643526 0.25000000000000 0.22217033622009 150.360 > 8 23 Sm 0.89005414643526 0.58333333333333 0.22217033622009 150.360 > 8 24 Sm 0.89005414643526 0.91666666666667 0.22217033622009 150.360 > 8 *25 Ti 0.17885547205807 0.08333333333333 0.12198114596941 47.867 > 9 26 Ti 0.17885547205807 0.41666666666667 0.12198114596941 47.867 > 9 27 Ti 0.17885547205807 0.75000000000000 0.12198114596941 47.867 > 9 28 Ti 0.32114452794193 0.25000000000000 0.62198114596941 47.867 > 10 29 Ti 0.32114452794193 0.58333333333333 0.62198114596941 47.867 > 10 30 Ti 0.32114452794193 0.91666666666667 0.62198114596941 47.867 > 10 31 Ti 0.67885547205807 0.08333333333333 0.37801885403059 47.867 > 11 32 Ti 0.67885547205807 0.41666666666667 0.37801885403059 47.867 > 11 33 Ti 0.67885547205807 0.75000000000000 0.37801885403059 47.867 > 11 34 Ti 0.82114452794193 0.25000000000000 0.87801885403059 47.867 > 12 35 Ti 0.82114452794193 0.58333333333333 0.87801885403059 47.867 > 12 36 Ti 0.82114452794193 0.91666666666667 0.87801885403059 47.867 > 12 *37 O 0.00802580706195 0.25000000000000 0.39600955755688 15.999 > 13 38 O 0.00802580706195 0.58333333333333 0.39600955755688 15.999 > 13 39 O 0.00802580706195 0.91666666666667 0.39600955755688 15.999 > 13 *40 O 0.01439828546188 0.08333333333333 0.15693932886339 15.999 > 14 41 O 0.01439828546188 0.41666666666667 0.15693932886339 15.999 > 14 42 O 0.01439828546188 0.75000000000000 0.15693932886339 15.999 > 14 *43 O 0.22317617181973 0.08333333333333 0.96058394067548 15.999 > 15 44 O 0.22317617181973 0.41666666666667 0.96058394067548 15.999 > 15 45 O 0.22317617181973 0.75000000000000 0.96058394067548 15.999 > 15 *46 O 0.23693845369824 0.25000000000000 0.11925172838266 15.999 > 16 47 O 0.23693845369824 0.58333333333333 0.11925172838266 15.999 > 16 48 O 0.23693845369824 0.91666666666667 0.11925172838266 15.999 > 16 *49 O 0.23802718564129 0.25000000000000 0.77076194121849 15.999 > 17 50 O 0.23802718564129 0.58333333333333 0.77076194121849 15.999 > 17 51 O 0.23802718564129 0.91666666666667 0.77076194121849 15.999 > 17 52 O 0.26197281435871 0.08333333333333 0.27076194121849 15.999 > 18 53 O 0.26197281435871 0.41666666666667 0.27076194121849 15.999 > 18 54 O 0.26197281435871 0.75000000000000 0.27076194121849 15.999 > 18 55 O 0.26306154630176 0.08333333333333 0.61925172838266 15.999 > 19 56 O 0.26306154630176 0.41666666666667 0.61925172838266 15.999 > 19 57 O 0.26306154630176 0.75000000000000 0.61925172838266 15.999 > 19 58 O 0.27682382818027 0.25000000000000 0.46058394067548 15.999 > 20 59 O 0.27682382818027 0.58333333333333 0.46058394067548 15.999 > 20 60 O 0.27682382818027 0.91666666666667 0.46058394067548 15.999 > 20 61 O 0.48560171453812 0.25000000000000 0.65693932886339 15.999 > 21 62 O 0.48560171453812 0.58333333333333 0.65693932886339 15.999 > 21 63 O 0.48560171453812 0.91666666666667 0.65693932886339 15.999 > 21 64 O 0.49197419293805 0.08333333333333 0.89600955755687 15.999 > 22 65 O 0.49197419293805 0.41666666666667 0.89600955755687 15.999 > 22 66 O 0.49197419293805 0.75000000000000 0.89600955755687 15.999 > 22 67 O 0.50802580706195 0.25000000000000 0.10399044244312 15.999 > 23 68 O 0.50802580706195 0.58333333333333 0.10399044244312 15.999 > 23 69 O 0.50802580706195 0.91666666666667 0.10399044244312 15.999 > 23 70 O 0.51439828546188 0.08333333333333 0.34306067113661 15.999 > 24 71 O 0.51439828546188 0.41666666666667 0.34306067113661 15.999 > 24 72 O 0.51439828546188 0.75000000000000 0.34306067113661 15.999 > 24 73 O 0.72317617181973 0.08333333333333 0.53941605932452 15.999 > 25 74 O 0.72317617181973 0.41666666666667 0.53941605932452 15.999 > 25 75 O 0.72317617181973 0.75000000000000 0.53941605932452 15.999 > 25 76 O 0.73693845369824 0.25000000000000 0.38074827161733 15.999 > 26 77 O 0.73693845369824 0.58333333333333 0.38074827161733 15.999 > 26 78 O 0.73693845369824 0.91666666666667 0.38074827161733 15.999 > 26 79 O 0.73802718564129 0.25000000000000 0.72923805878151 15.999 > 27 80 O 0.73802718564129 0.58333333333333 0.72923805878151 15.999 > 27 81 O 0.73802718564129 0.91666666666667 0.72923805878151 15.999 > 27 82 O 0.76197281435871 0.08333333333333 0.22923805878151 15.999 > 28 83 O 0.76197281435871 0.41666666666667 0.22923805878151 15.999 > 28 84 O 0.76197281435871 0.75000000000000 0.22923805878151 15.999 > 28 85 O 0.76306154630176 0.08333333333333 0.88074827161734 15.999 > 29 86 O 0.76306154630176 0.41666666666667 0.88074827161734 15.999 > 29 87 O 0.76306154630176 0.75000000000000 0.88074827161734 15.999 > 29 88 O 0.77682382818027 0.25000000000000 0.03941605932452 15.999 > 30 89 O 0.77682382818027 0.58333333333333 0.03941605932452 15.999 > 30 90 O 0.77682382818027 0.91666666666667 0.03941605932452 15.999 > 30 91 O 0.98560171453812 0.25000000000000 0.84306067113661 15.999 > 31 92 O 0.98560171453812 0.58333333333333 0.84306067113661 15.999 > 31 93 O 0.98560171453812 0.91666666666667 0.84306067113661 15.999 > 31 94 O 0.99197419293805 0.08333333333333 0.60399044244313 15.999 > 32 95 O 0.99197419293805 0.41666666666667 0.60399044244313 15.999 > 32 96 O 0.99197419293805 0.75000000000000 0.60399044244313 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4776721 0.0000000 0.0000000 0.0000000 4.6856594 0.0000000 0.0000000 0.0000000 4.6148933 -------------------------- Born effective charges -------------------------- 1 Sm 4.4220937 0.0000000 0.0377935 0.0000000 3.9737184 0.0000000 0.4508865 0.0000000 4.1582731 2 Sm 3.9119268 0.0000000 -0.3303204 0.0000000 4.0039660 0.0000000 0.0571752 0.0000000 3.7294865 3 Sm 3.9119268 0.0000000 0.3303204 0.0000000 4.0039660 0.0000000 -0.0571752 0.0000000 3.7294865 4 Sm 4.4220937 0.0000000 -0.0377935 0.0000000 3.9737184 0.0000000 -0.4508865 0.0000000 4.1582731 5 Sm 4.4220937 0.0000000 -0.0377935 0.0000000 3.9737184 0.0000000 -0.4508865 0.0000000 4.1582731 6 Sm 3.9119268 0.0000000 0.3303204 0.0000000 4.0039660 0.0000000 -0.0571752 0.0000000 3.7294865 7 Sm 3.9119268 0.0000000 -0.3303204 0.0000000 4.0039660 0.0000000 0.0571752 0.0000000 3.7294865 8 Sm 4.4220937 0.0000000 0.0377935 0.0000000 3.9737184 0.0000000 0.4508865 0.0000000 4.1582731 9 Ti 3.5576739 0.0000000 -0.1471077 0.0000000 5.1806841 0.0000000 -0.4786684 0.0000000 4.6436025 10 Ti 3.5576739 0.0000000 0.1471077 0.0000000 5.1806841 0.0000000 0.4786684 0.0000000 4.6436025 11 Ti 3.5576739 0.0000000 0.1471077 0.0000000 5.1806841 0.0000000 0.4786684 0.0000000 4.6436025 12 Ti 3.5576739 0.0000000 -0.1471077 0.0000000 5.1806841 0.0000000 -0.4786684 0.0000000 4.6436025 13 O -2.5586599 0.0000000 -0.1043602 0.0000000 -2.4433336 0.0000000 -0.4482368 0.0000000 -2.6063318 14 O -3.6465362 0.0000000 0.8243693 0.0000000 -1.8341073 0.0000000 0.8912169 0.0000000 -1.2682248 15 O -1.8512964 0.0000000 0.0908480 0.0000000 -2.3033657 0.0000000 0.2786359 0.0000000 -3.7541544 16 O -1.5656987 0.0000000 -0.0526314 0.0000000 -4.0943305 0.0000000 0.1177962 0.0000000 -1.8070689 17 O -2.2695032 0.0000000 0.3082925 0.0000000 -2.4832314 0.0000000 0.3734020 0.0000000 -3.0955822 18 O -2.2695032 0.0000000 -0.3082925 0.0000000 -2.4832314 0.0000000 -0.3734020 0.0000000 -3.0955822 19 O -1.5656987 0.0000000 0.0526314 0.0000000 -4.0943305 0.0000000 -0.1177962 0.0000000 -1.8070689 20 O -1.8512964 0.0000000 -0.0908480 0.0000000 -2.3033657 0.0000000 -0.2786359 0.0000000 -3.7541544 21 O -3.6465362 0.0000000 -0.8243693 0.0000000 -1.8341073 0.0000000 -0.8912169 0.0000000 -1.2682248 22 O -2.5586599 0.0000000 0.1043602 0.0000000 -2.4433336 0.0000000 0.4482368 0.0000000 -2.6063318 23 O -2.5586599 0.0000000 0.1043602 0.0000000 -2.4433336 0.0000000 0.4482368 0.0000000 -2.6063318 24 O -3.6465362 0.0000000 -0.8243693 0.0000000 -1.8341073 0.0000000 -0.8912169 0.0000000 -1.2682248 25 O -1.8512964 0.0000000 -0.0908480 0.0000000 -2.3033657 0.0000000 -0.2786359 0.0000000 -3.7541544 26 O -1.5656987 0.0000000 0.0526314 0.0000000 -4.0943305 0.0000000 -0.1177962 0.0000000 -1.8070689 27 O -2.2695032 0.0000000 -0.3082925 0.0000000 -2.4832314 0.0000000 -0.3734020 0.0000000 -3.0955822 28 O -2.2695032 0.0000000 0.3082925 0.0000000 -2.4832314 0.0000000 0.3734020 0.0000000 -3.0955822 29 O -1.5656987 0.0000000 -0.0526314 0.0000000 -4.0943305 0.0000000 0.1177962 0.0000000 -1.8070689 30 O -1.8512964 0.0000000 0.0908480 0.0000000 -2.3033657 0.0000000 0.2786359 0.0000000 -3.7541544 31 O -3.6465362 0.0000000 0.8243693 0.0000000 -1.8341073 0.0000000 0.8912169 0.0000000 -1.2682248 32 O -2.5586599 0.0000000 -0.1043602 0.0000000 -2.4433336 0.0000000 -0.4482368 0.0000000 -2.6063318 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.590 Solver_block: 200 / 480 - Time: 2.609 Solver_block: 300 / 480 - Time: 2.608 Solver_block: 400 / 480 - Time: 2.605 Solver_block: 480 / 480 - Time: 2.119 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.581 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:13:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:13:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.757272760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): 1 Sm 0.10994585356474 0.25000000000000 0.77782966377991 150.360 2 Sm 0.13711991913530 0.25000000000000 0.44416712620839 150.360 3 Sm 0.36288008086470 0.75000000000000 0.94416712620840 150.360 4 Sm 0.39005414643526 0.75000000000000 0.27782966377991 150.360 5 Sm 0.60994585356474 0.25000000000000 0.72217033622009 150.360 6 Sm 0.63711991913530 0.25000000000000 0.05583287379161 150.360 7 Sm 0.86288008086470 0.75000000000000 0.55583287379160 150.360 8 Sm 0.89005414643526 0.75000000000000 0.22217033622009 150.360 9 Ti 0.17885547205807 0.25000000000000 0.12198114596941 47.867 10 Ti 0.32114452794193 0.75000000000000 0.62198114596941 47.867 11 Ti 0.67885547205807 0.25000000000000 0.37801885403059 47.867 12 Ti 0.82114452794193 0.75000000000000 0.87801885403059 47.867 13 O 0.00802580706195 0.75000000000000 0.39600955755688 15.999 14 O 0.01439828546188 0.25000000000000 0.15693932886339 15.999 15 O 0.22317617181973 0.25000000000000 0.96058394067548 15.999 16 O 0.23693845369824 0.75000000000000 0.11925172838266 15.999 17 O 0.23802718564129 0.75000000000000 0.77076194121849 15.999 18 O 0.26197281435871 0.25000000000000 0.27076194121849 15.999 19 O 0.26306154630176 0.25000000000000 0.61925172838266 15.999 20 O 0.27682382818027 0.75000000000000 0.46058394067548 15.999 21 O 0.48560171453812 0.75000000000000 0.65693932886339 15.999 22 O 0.49197419293805 0.25000000000000 0.89600955755687 15.999 23 O 0.50802580706195 0.75000000000000 0.10399044244312 15.999 24 O 0.51439828546188 0.25000000000000 0.34306067113661 15.999 25 O 0.72317617181973 0.25000000000000 0.53941605932452 15.999 26 O 0.73693845369824 0.75000000000000 0.38074827161733 15.999 27 O 0.73802718564129 0.75000000000000 0.72923805878151 15.999 28 O 0.76197281435871 0.25000000000000 0.22923805878151 15.999 29 O 0.76306154630176 0.25000000000000 0.88074827161734 15.999 30 O 0.77682382818027 0.75000000000000 0.03941605932452 15.999 31 O 0.98560171453812 0.75000000000000 0.84306067113661 15.999 32 O 0.99197419293805 0.25000000000000 0.60399044244313 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.271818280000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): 1 Sm 0.10994585356474 0.08333333333333 0.77782966377991 150.360 > 1 2 Sm 0.10994585356474 0.41666666666667 0.77782966377991 150.360 > 1 3 Sm 0.10994585356474 0.75000000000000 0.77782966377991 150.360 > 1 4 Sm 0.13711991913530 0.08333333333333 0.44416712620839 150.360 > 4 5 Sm 0.13711991913530 0.41666666666667 0.44416712620839 150.360 > 4 6 Sm 0.13711991913530 0.75000000000000 0.44416712620839 150.360 > 4 7 Sm 0.36288008086470 0.25000000000000 0.94416712620840 150.360 > 7 8 Sm 0.36288008086470 0.58333333333333 0.94416712620840 150.360 > 7 9 Sm 0.36288008086470 0.91666666666667 0.94416712620840 150.360 > 7 10 Sm 0.39005414643526 0.25000000000000 0.27782966377991 150.360 > 10 11 Sm 0.39005414643526 0.58333333333333 0.27782966377991 150.360 > 10 12 Sm 0.39005414643526 0.91666666666667 0.27782966377991 150.360 > 10 13 Sm 0.60994585356474 0.08333333333333 0.72217033622009 150.360 > 13 14 Sm 0.60994585356474 0.41666666666667 0.72217033622009 150.360 > 13 15 Sm 0.60994585356474 0.75000000000000 0.72217033622009 150.360 > 13 16 Sm 0.63711991913530 0.08333333333333 0.05583287379161 150.360 > 16 17 Sm 0.63711991913530 0.41666666666667 0.05583287379161 150.360 > 16 18 Sm 0.63711991913530 0.75000000000000 0.05583287379161 150.360 > 16 19 Sm 0.86288008086470 0.25000000000000 0.55583287379160 150.360 > 19 20 Sm 0.86288008086470 0.58333333333333 0.55583287379160 150.360 > 19 21 Sm 0.86288008086470 0.91666666666667 0.55583287379160 150.360 > 19 22 Sm 0.89005414643526 0.25000000000000 0.22217033622009 150.360 > 22 23 Sm 0.89005414643526 0.58333333333333 0.22217033622009 150.360 > 22 24 Sm 0.89005414643526 0.91666666666667 0.22217033622009 150.360 > 22 25 Ti 0.17885547205807 0.08333333333333 0.12198114596941 47.867 > 25 26 Ti 0.17885547205807 0.41666666666667 0.12198114596941 47.867 > 25 27 Ti 0.17885547205807 0.75000000000000 0.12198114596941 47.867 > 25 28 Ti 0.32114452794193 0.25000000000000 0.62198114596941 47.867 > 28 29 Ti 0.32114452794193 0.58333333333333 0.62198114596941 47.867 > 28 30 Ti 0.32114452794193 0.91666666666667 0.62198114596941 47.867 > 28 31 Ti 0.67885547205807 0.08333333333333 0.37801885403059 47.867 > 31 32 Ti 0.67885547205807 0.41666666666667 0.37801885403059 47.867 > 31 33 Ti 0.67885547205807 0.75000000000000 0.37801885403059 47.867 > 31 34 Ti 0.82114452794193 0.25000000000000 0.87801885403059 47.867 > 34 35 Ti 0.82114452794193 0.58333333333333 0.87801885403059 47.867 > 34 36 Ti 0.82114452794193 0.91666666666667 0.87801885403059 47.867 > 34 37 O 0.00802580706195 0.25000000000000 0.39600955755688 15.999 > 37 38 O 0.00802580706195 0.58333333333333 0.39600955755688 15.999 > 37 39 O 0.00802580706195 0.91666666666667 0.39600955755688 15.999 > 37 40 O 0.01439828546188 0.08333333333333 0.15693932886339 15.999 > 40 41 O 0.01439828546188 0.41666666666667 0.15693932886339 15.999 > 40 42 O 0.01439828546188 0.75000000000000 0.15693932886339 15.999 > 40 43 O 0.22317617181973 0.08333333333333 0.96058394067548 15.999 > 43 44 O 0.22317617181973 0.41666666666667 0.96058394067548 15.999 > 43 45 O 0.22317617181973 0.75000000000000 0.96058394067548 15.999 > 43 46 O 0.23693845369824 0.25000000000000 0.11925172838266 15.999 > 46 47 O 0.23693845369824 0.58333333333333 0.11925172838266 15.999 > 46 48 O 0.23693845369824 0.91666666666667 0.11925172838266 15.999 > 46 49 O 0.23802718564129 0.25000000000000 0.77076194121849 15.999 > 49 50 O 0.23802718564129 0.58333333333333 0.77076194121849 15.999 > 49 51 O 0.23802718564129 0.91666666666667 0.77076194121849 15.999 > 49 52 O 0.26197281435871 0.08333333333333 0.27076194121849 15.999 > 52 53 O 0.26197281435871 0.41666666666667 0.27076194121849 15.999 > 52 54 O 0.26197281435871 0.75000000000000 0.27076194121849 15.999 > 52 55 O 0.26306154630176 0.08333333333333 0.61925172838266 15.999 > 55 56 O 0.26306154630176 0.41666666666667 0.61925172838266 15.999 > 55 57 O 0.26306154630176 0.75000000000000 0.61925172838266 15.999 > 55 58 O 0.27682382818027 0.25000000000000 0.46058394067548 15.999 > 58 59 O 0.27682382818027 0.58333333333333 0.46058394067548 15.999 > 58 60 O 0.27682382818027 0.91666666666667 0.46058394067548 15.999 > 58 61 O 0.48560171453812 0.25000000000000 0.65693932886339 15.999 > 61 62 O 0.48560171453812 0.58333333333333 0.65693932886339 15.999 > 61 63 O 0.48560171453812 0.91666666666667 0.65693932886339 15.999 > 61 64 O 0.49197419293805 0.08333333333333 0.89600955755687 15.999 > 64 65 O 0.49197419293805 0.41666666666667 0.89600955755687 15.999 > 64 66 O 0.49197419293805 0.75000000000000 0.89600955755687 15.999 > 64 67 O 0.50802580706195 0.25000000000000 0.10399044244312 15.999 > 67 68 O 0.50802580706195 0.58333333333333 0.10399044244312 15.999 > 67 69 O 0.50802580706195 0.91666666666667 0.10399044244312 15.999 > 67 70 O 0.51439828546188 0.08333333333333 0.34306067113661 15.999 > 70 71 O 0.51439828546188 0.41666666666667 0.34306067113661 15.999 > 70 72 O 0.51439828546188 0.75000000000000 0.34306067113661 15.999 > 70 73 O 0.72317617181973 0.08333333333333 0.53941605932452 15.999 > 73 74 O 0.72317617181973 0.41666666666667 0.53941605932452 15.999 > 73 75 O 0.72317617181973 0.75000000000000 0.53941605932452 15.999 > 73 76 O 0.73693845369824 0.25000000000000 0.38074827161733 15.999 > 76 77 O 0.73693845369824 0.58333333333333 0.38074827161733 15.999 > 76 78 O 0.73693845369824 0.91666666666667 0.38074827161733 15.999 > 76 79 O 0.73802718564129 0.25000000000000 0.72923805878151 15.999 > 79 80 O 0.73802718564129 0.58333333333333 0.72923805878151 15.999 > 79 81 O 0.73802718564129 0.91666666666667 0.72923805878151 15.999 > 79 82 O 0.76197281435871 0.08333333333333 0.22923805878151 15.999 > 82 83 O 0.76197281435871 0.41666666666667 0.22923805878151 15.999 > 82 84 O 0.76197281435871 0.75000000000000 0.22923805878151 15.999 > 82 85 O 0.76306154630176 0.08333333333333 0.88074827161734 15.999 > 85 86 O 0.76306154630176 0.41666666666667 0.88074827161734 15.999 > 85 87 O 0.76306154630176 0.75000000000000 0.88074827161734 15.999 > 85 88 O 0.77682382818027 0.25000000000000 0.03941605932452 15.999 > 88 89 O 0.77682382818027 0.58333333333333 0.03941605932452 15.999 > 88 90 O 0.77682382818027 0.91666666666667 0.03941605932452 15.999 > 88 91 O 0.98560171453812 0.25000000000000 0.84306067113661 15.999 > 91 92 O 0.98560171453812 0.58333333333333 0.84306067113661 15.999 > 91 93 O 0.98560171453812 0.91666666666667 0.84306067113661 15.999 > 91 94 O 0.99197419293805 0.08333333333333 0.60399044244313 15.999 > 94 95 O 0.99197419293805 0.41666666666667 0.60399044244313 15.999 > 94 96 O 0.99197419293805 0.75000000000000 0.60399044244313 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4776721 0.0000000 0.0000000 0.0000000 4.6856594 0.0000000 0.0000000 0.0000000 4.6148933 -------------------------- Born effective charges -------------------------- 1 Sm 4.4220937 0.0000000 0.0377935 0.0000000 3.9737184 0.0000000 0.4508865 0.0000000 4.1582731 2 Sm 3.9119268 0.0000000 -0.3303204 0.0000000 4.0039660 0.0000000 0.0571752 0.0000000 3.7294865 3 Sm 3.9119268 0.0000000 0.3303204 0.0000000 4.0039660 0.0000000 -0.0571752 0.0000000 3.7294865 4 Sm 4.4220937 0.0000000 -0.0377935 0.0000000 3.9737184 0.0000000 -0.4508865 0.0000000 4.1582731 5 Sm 4.4220937 0.0000000 -0.0377935 0.0000000 3.9737184 0.0000000 -0.4508865 0.0000000 4.1582731 6 Sm 3.9119268 0.0000000 0.3303204 0.0000000 4.0039660 0.0000000 -0.0571752 0.0000000 3.7294865 7 Sm 3.9119268 0.0000000 -0.3303204 0.0000000 4.0039660 0.0000000 0.0571752 0.0000000 3.7294865 8 Sm 4.4220937 0.0000000 0.0377935 0.0000000 3.9737184 0.0000000 0.4508865 0.0000000 4.1582731 9 Ti 3.5576739 0.0000000 -0.1471077 0.0000000 5.1806841 0.0000000 -0.4786684 0.0000000 4.6436025 10 Ti 3.5576739 0.0000000 0.1471077 0.0000000 5.1806841 0.0000000 0.4786684 0.0000000 4.6436025 11 Ti 3.5576739 0.0000000 0.1471077 0.0000000 5.1806841 0.0000000 0.4786684 0.0000000 4.6436025 12 Ti 3.5576739 0.0000000 -0.1471077 0.0000000 5.1806841 0.0000000 -0.4786684 0.0000000 4.6436025 13 O -2.5586599 0.0000000 -0.1043602 0.0000000 -2.4433336 0.0000000 -0.4482368 0.0000000 -2.6063318 14 O -3.6465362 0.0000000 0.8243693 0.0000000 -1.8341073 0.0000000 0.8912169 0.0000000 -1.2682248 15 O -1.8512964 0.0000000 0.0908480 0.0000000 -2.3033657 0.0000000 0.2786359 0.0000000 -3.7541544 16 O -1.5656987 0.0000000 -0.0526314 0.0000000 -4.0943305 0.0000000 0.1177962 0.0000000 -1.8070689 17 O -2.2695032 0.0000000 0.3082925 0.0000000 -2.4832314 0.0000000 0.3734020 0.0000000 -3.0955822 18 O -2.2695032 0.0000000 -0.3082925 0.0000000 -2.4832314 0.0000000 -0.3734020 0.0000000 -3.0955822 19 O -1.5656987 0.0000000 0.0526314 0.0000000 -4.0943305 0.0000000 -0.1177962 0.0000000 -1.8070689 20 O -1.8512964 0.0000000 -0.0908480 0.0000000 -2.3033657 0.0000000 -0.2786359 0.0000000 -3.7541544 21 O -3.6465362 0.0000000 -0.8243693 0.0000000 -1.8341073 0.0000000 -0.8912169 0.0000000 -1.2682248 22 O -2.5586599 0.0000000 0.1043602 0.0000000 -2.4433336 0.0000000 0.4482368 0.0000000 -2.6063318 23 O -2.5586599 0.0000000 0.1043602 0.0000000 -2.4433336 0.0000000 0.4482368 0.0000000 -2.6063318 24 O -3.6465362 0.0000000 -0.8243693 0.0000000 -1.8341073 0.0000000 -0.8912169 0.0000000 -1.2682248 25 O -1.8512964 0.0000000 -0.0908480 0.0000000 -2.3033657 0.0000000 -0.2786359 0.0000000 -3.7541544 26 O -1.5656987 0.0000000 0.0526314 0.0000000 -4.0943305 0.0000000 -0.1177962 0.0000000 -1.8070689 27 O -2.2695032 0.0000000 -0.3082925 0.0000000 -2.4832314 0.0000000 -0.3734020 0.0000000 -3.0955822 28 O -2.2695032 0.0000000 0.3082925 0.0000000 -2.4832314 0.0000000 0.3734020 0.0000000 -3.0955822 29 O -1.5656987 0.0000000 -0.0526314 0.0000000 -4.0943305 0.0000000 0.1177962 0.0000000 -1.8070689 30 O -1.8512964 0.0000000 0.0908480 0.0000000 -2.3033657 0.0000000 0.2786359 0.0000000 -3.7541544 31 O -3.6465362 0.0000000 0.8243693 0.0000000 -1.8341073 0.0000000 0.8912169 0.0000000 -1.2682248 32 O -2.5586599 0.0000000 -0.1043602 0.0000000 -2.4433336 0.0000000 -0.4482368 0.0000000 -2.6063318 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-09 02:13:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:13:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.757272760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): 1 Sm 0.10994585356474 0.25000000000000 0.77782966377991 150.360 2 Sm 0.13711991913530 0.25000000000000 0.44416712620839 150.360 3 Sm 0.36288008086470 0.75000000000000 0.94416712620840 150.360 4 Sm 0.39005414643526 0.75000000000000 0.27782966377991 150.360 5 Sm 0.60994585356474 0.25000000000000 0.72217033622009 150.360 6 Sm 0.63711991913530 0.25000000000000 0.05583287379161 150.360 7 Sm 0.86288008086470 0.75000000000000 0.55583287379160 150.360 8 Sm 0.89005414643526 0.75000000000000 0.22217033622009 150.360 9 Ti 0.17885547205807 0.25000000000000 0.12198114596941 47.867 10 Ti 0.32114452794193 0.75000000000000 0.62198114596941 47.867 11 Ti 0.67885547205807 0.25000000000000 0.37801885403059 47.867 12 Ti 0.82114452794193 0.75000000000000 0.87801885403059 47.867 13 O 0.00802580706195 0.75000000000000 0.39600955755688 15.999 14 O 0.01439828546188 0.25000000000000 0.15693932886339 15.999 15 O 0.22317617181973 0.25000000000000 0.96058394067548 15.999 16 O 0.23693845369824 0.75000000000000 0.11925172838266 15.999 17 O 0.23802718564129 0.75000000000000 0.77076194121849 15.999 18 O 0.26197281435871 0.25000000000000 0.27076194121849 15.999 19 O 0.26306154630176 0.25000000000000 0.61925172838266 15.999 20 O 0.27682382818027 0.75000000000000 0.46058394067548 15.999 21 O 0.48560171453812 0.75000000000000 0.65693932886339 15.999 22 O 0.49197419293805 0.25000000000000 0.89600955755687 15.999 23 O 0.50802580706195 0.75000000000000 0.10399044244312 15.999 24 O 0.51439828546188 0.25000000000000 0.34306067113661 15.999 25 O 0.72317617181973 0.25000000000000 0.53941605932452 15.999 26 O 0.73693845369824 0.75000000000000 0.38074827161733 15.999 27 O 0.73802718564129 0.75000000000000 0.72923805878151 15.999 28 O 0.76197281435871 0.25000000000000 0.22923805878151 15.999 29 O 0.76306154630176 0.25000000000000 0.88074827161734 15.999 30 O 0.77682382818027 0.75000000000000 0.03941605932452 15.999 31 O 0.98560171453812 0.75000000000000 0.84306067113661 15.999 32 O 0.99197419293805 0.25000000000000 0.60399044244313 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.531634820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.271818280000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.345686819999997 Atomic positions (fractional): 1 Sm 0.10994585356474 0.08333333333333 0.77782966377991 150.360 > 1 2 Sm 0.10994585356474 0.41666666666667 0.77782966377991 150.360 > 1 3 Sm 0.10994585356474 0.75000000000000 0.77782966377991 150.360 > 1 4 Sm 0.13711991913530 0.08333333333333 0.44416712620839 150.360 > 4 5 Sm 0.13711991913530 0.41666666666667 0.44416712620839 150.360 > 4 6 Sm 0.13711991913530 0.75000000000000 0.44416712620839 150.360 > 4 7 Sm 0.36288008086470 0.25000000000000 0.94416712620840 150.360 > 7 8 Sm 0.36288008086470 0.58333333333333 0.94416712620840 150.360 > 7 9 Sm 0.36288008086470 0.91666666666667 0.94416712620840 150.360 > 7 10 Sm 0.39005414643526 0.25000000000000 0.27782966377991 150.360 > 10 11 Sm 0.39005414643526 0.58333333333333 0.27782966377991 150.360 > 10 12 Sm 0.39005414643526 0.91666666666667 0.27782966377991 150.360 > 10 13 Sm 0.60994585356474 0.08333333333333 0.72217033622009 150.360 > 13 14 Sm 0.60994585356474 0.41666666666667 0.72217033622009 150.360 > 13 15 Sm 0.60994585356474 0.75000000000000 0.72217033622009 150.360 > 13 16 Sm 0.63711991913530 0.08333333333333 0.05583287379161 150.360 > 16 17 Sm 0.63711991913530 0.41666666666667 0.05583287379161 150.360 > 16 18 Sm 0.63711991913530 0.75000000000000 0.05583287379161 150.360 > 16 19 Sm 0.86288008086470 0.25000000000000 0.55583287379160 150.360 > 19 20 Sm 0.86288008086470 0.58333333333333 0.55583287379160 150.360 > 19 21 Sm 0.86288008086470 0.91666666666667 0.55583287379160 150.360 > 19 22 Sm 0.89005414643526 0.25000000000000 0.22217033622009 150.360 > 22 23 Sm 0.89005414643526 0.58333333333333 0.22217033622009 150.360 > 22 24 Sm 0.89005414643526 0.91666666666667 0.22217033622009 150.360 > 22 25 Ti 0.17885547205807 0.08333333333333 0.12198114596941 47.867 > 25 26 Ti 0.17885547205807 0.41666666666667 0.12198114596941 47.867 > 25 27 Ti 0.17885547205807 0.75000000000000 0.12198114596941 47.867 > 25 28 Ti 0.32114452794193 0.25000000000000 0.62198114596941 47.867 > 28 29 Ti 0.32114452794193 0.58333333333333 0.62198114596941 47.867 > 28 30 Ti 0.32114452794193 0.91666666666667 0.62198114596941 47.867 > 28 31 Ti 0.67885547205807 0.08333333333333 0.37801885403059 47.867 > 31 32 Ti 0.67885547205807 0.41666666666667 0.37801885403059 47.867 > 31 33 Ti 0.67885547205807 0.75000000000000 0.37801885403059 47.867 > 31 34 Ti 0.82114452794193 0.25000000000000 0.87801885403059 47.867 > 34 35 Ti 0.82114452794193 0.58333333333333 0.87801885403059 47.867 > 34 36 Ti 0.82114452794193 0.91666666666667 0.87801885403059 47.867 > 34 37 O 0.00802580706195 0.25000000000000 0.39600955755688 15.999 > 37 38 O 0.00802580706195 0.58333333333333 0.39600955755688 15.999 > 37 39 O 0.00802580706195 0.91666666666667 0.39600955755688 15.999 > 37 40 O 0.01439828546188 0.08333333333333 0.15693932886339 15.999 > 40 41 O 0.01439828546188 0.41666666666667 0.15693932886339 15.999 > 40 42 O 0.01439828546188 0.75000000000000 0.15693932886339 15.999 > 40 43 O 0.22317617181973 0.08333333333333 0.96058394067548 15.999 > 43 44 O 0.22317617181973 0.41666666666667 0.96058394067548 15.999 > 43 45 O 0.22317617181973 0.75000000000000 0.96058394067548 15.999 > 43 46 O 0.23693845369824 0.25000000000000 0.11925172838266 15.999 > 46 47 O 0.23693845369824 0.58333333333333 0.11925172838266 15.999 > 46 48 O 0.23693845369824 0.91666666666667 0.11925172838266 15.999 > 46 49 O 0.23802718564129 0.25000000000000 0.77076194121849 15.999 > 49 50 O 0.23802718564129 0.58333333333333 0.77076194121849 15.999 > 49 51 O 0.23802718564129 0.91666666666667 0.77076194121849 15.999 > 49 52 O 0.26197281435871 0.08333333333333 0.27076194121849 15.999 > 52 53 O 0.26197281435871 0.41666666666667 0.27076194121849 15.999 > 52 54 O 0.26197281435871 0.75000000000000 0.27076194121849 15.999 > 52 55 O 0.26306154630176 0.08333333333333 0.61925172838266 15.999 > 55 56 O 0.26306154630176 0.41666666666667 0.61925172838266 15.999 > 55 57 O 0.26306154630176 0.75000000000000 0.61925172838266 15.999 > 55 58 O 0.27682382818027 0.25000000000000 0.46058394067548 15.999 > 58 59 O 0.27682382818027 0.58333333333333 0.46058394067548 15.999 > 58 60 O 0.27682382818027 0.91666666666667 0.46058394067548 15.999 > 58 61 O 0.48560171453812 0.25000000000000 0.65693932886339 15.999 > 61 62 O 0.48560171453812 0.58333333333333 0.65693932886339 15.999 > 61 63 O 0.48560171453812 0.91666666666667 0.65693932886339 15.999 > 61 64 O 0.49197419293805 0.08333333333333 0.89600955755687 15.999 > 64 65 O 0.49197419293805 0.41666666666667 0.89600955755687 15.999 > 64 66 O 0.49197419293805 0.75000000000000 0.89600955755687 15.999 > 64 67 O 0.50802580706195 0.25000000000000 0.10399044244312 15.999 > 67 68 O 0.50802580706195 0.58333333333333 0.10399044244312 15.999 > 67 69 O 0.50802580706195 0.91666666666667 0.10399044244312 15.999 > 67 70 O 0.51439828546188 0.08333333333333 0.34306067113661 15.999 > 70 71 O 0.51439828546188 0.41666666666667 0.34306067113661 15.999 > 70 72 O 0.51439828546188 0.75000000000000 0.34306067113661 15.999 > 70 73 O 0.72317617181973 0.08333333333333 0.53941605932452 15.999 > 73 74 O 0.72317617181973 0.41666666666667 0.53941605932452 15.999 > 73 75 O 0.72317617181973 0.75000000000000 0.53941605932452 15.999 > 73 76 O 0.73693845369824 0.25000000000000 0.38074827161733 15.999 > 76 77 O 0.73693845369824 0.58333333333333 0.38074827161733 15.999 > 76 78 O 0.73693845369824 0.91666666666667 0.38074827161733 15.999 > 76 79 O 0.73802718564129 0.25000000000000 0.72923805878151 15.999 > 79 80 O 0.73802718564129 0.58333333333333 0.72923805878151 15.999 > 79 81 O 0.73802718564129 0.91666666666667 0.72923805878151 15.999 > 79 82 O 0.76197281435871 0.08333333333333 0.22923805878151 15.999 > 82 83 O 0.76197281435871 0.41666666666667 0.22923805878151 15.999 > 82 84 O 0.76197281435871 0.75000000000000 0.22923805878151 15.999 > 82 85 O 0.76306154630176 0.08333333333333 0.88074827161734 15.999 > 85 86 O 0.76306154630176 0.41666666666667 0.88074827161734 15.999 > 85 87 O 0.76306154630176 0.75000000000000 0.88074827161734 15.999 > 85 88 O 0.77682382818027 0.25000000000000 0.03941605932452 15.999 > 88 89 O 0.77682382818027 0.58333333333333 0.03941605932452 15.999 > 88 90 O 0.77682382818027 0.91666666666667 0.03941605932452 15.999 > 88 91 O 0.98560171453812 0.25000000000000 0.84306067113661 15.999 > 91 92 O 0.98560171453812 0.58333333333333 0.84306067113661 15.999 > 91 93 O 0.98560171453812 0.91666666666667 0.84306067113661 15.999 > 91 94 O 0.99197419293805 0.08333333333333 0.60399044244313 15.999 > 94 95 O 0.99197419293805 0.41666666666667 0.60399044244313 15.999 > 94 96 O 0.99197419293805 0.75000000000000 0.60399044244313 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4776721 0.0000000 0.0000000 0.0000000 4.6856594 0.0000000 0.0000000 0.0000000 4.6148933 -------------------------- Born effective charges -------------------------- 1 Sm 4.4220937 0.0000000 0.0377935 0.0000000 3.9737184 0.0000000 0.4508865 0.0000000 4.1582731 2 Sm 3.9119268 0.0000000 -0.3303204 0.0000000 4.0039660 0.0000000 0.0571752 0.0000000 3.7294865 3 Sm 3.9119268 0.0000000 0.3303204 0.0000000 4.0039660 0.0000000 -0.0571752 0.0000000 3.7294865 4 Sm 4.4220937 0.0000000 -0.0377935 0.0000000 3.9737184 0.0000000 -0.4508865 0.0000000 4.1582731 5 Sm 4.4220937 0.0000000 -0.0377935 0.0000000 3.9737184 0.0000000 -0.4508865 0.0000000 4.1582731 6 Sm 3.9119268 0.0000000 0.3303204 0.0000000 4.0039660 0.0000000 -0.0571752 0.0000000 3.7294865 7 Sm 3.9119268 0.0000000 -0.3303204 0.0000000 4.0039660 0.0000000 0.0571752 0.0000000 3.7294865 8 Sm 4.4220937 0.0000000 0.0377935 0.0000000 3.9737184 0.0000000 0.4508865 0.0000000 4.1582731 9 Ti 3.5576739 0.0000000 -0.1471077 0.0000000 5.1806841 0.0000000 -0.4786684 0.0000000 4.6436025 10 Ti 3.5576739 0.0000000 0.1471077 0.0000000 5.1806841 0.0000000 0.4786684 0.0000000 4.6436025 11 Ti 3.5576739 0.0000000 0.1471077 0.0000000 5.1806841 0.0000000 0.4786684 0.0000000 4.6436025 12 Ti 3.5576739 0.0000000 -0.1471077 0.0000000 5.1806841 0.0000000 -0.4786684 0.0000000 4.6436025 13 O -2.5586599 0.0000000 -0.1043602 0.0000000 -2.4433336 0.0000000 -0.4482368 0.0000000 -2.6063318 14 O -3.6465362 0.0000000 0.8243693 0.0000000 -1.8341073 0.0000000 0.8912169 0.0000000 -1.2682248 15 O -1.8512964 0.0000000 0.0908480 0.0000000 -2.3033657 0.0000000 0.2786359 0.0000000 -3.7541544 16 O -1.5656987 0.0000000 -0.0526314 0.0000000 -4.0943305 0.0000000 0.1177962 0.0000000 -1.8070689 17 O -2.2695032 0.0000000 0.3082925 0.0000000 -2.4832314 0.0000000 0.3734020 0.0000000 -3.0955822 18 O -2.2695032 0.0000000 -0.3082925 0.0000000 -2.4832314 0.0000000 -0.3734020 0.0000000 -3.0955822 19 O -1.5656987 0.0000000 0.0526314 0.0000000 -4.0943305 0.0000000 -0.1177962 0.0000000 -1.8070689 20 O -1.8512964 0.0000000 -0.0908480 0.0000000 -2.3033657 0.0000000 -0.2786359 0.0000000 -3.7541544 21 O -3.6465362 0.0000000 -0.8243693 0.0000000 -1.8341073 0.0000000 -0.8912169 0.0000000 -1.2682248 22 O -2.5586599 0.0000000 0.1043602 0.0000000 -2.4433336 0.0000000 0.4482368 0.0000000 -2.6063318 23 O -2.5586599 0.0000000 0.1043602 0.0000000 -2.4433336 0.0000000 0.4482368 0.0000000 -2.6063318 24 O -3.6465362 0.0000000 -0.8243693 0.0000000 -1.8341073 0.0000000 -0.8912169 0.0000000 -1.2682248 25 O -1.8512964 0.0000000 -0.0908480 0.0000000 -2.3033657 0.0000000 -0.2786359 0.0000000 -3.7541544 26 O -1.5656987 0.0000000 0.0526314 0.0000000 -4.0943305 0.0000000 -0.1177962 0.0000000 -1.8070689 27 O -2.2695032 0.0000000 -0.3082925 0.0000000 -2.4832314 0.0000000 -0.3734020 0.0000000 -3.0955822 28 O -2.2695032 0.0000000 0.3082925 0.0000000 -2.4832314 0.0000000 0.3734020 0.0000000 -3.0955822 29 O -1.5656987 0.0000000 -0.0526314 0.0000000 -4.0943305 0.0000000 0.1177962 0.0000000 -1.8070689 30 O -1.8512964 0.0000000 0.0908480 0.0000000 -2.3033657 0.0000000 0.2786359 0.0000000 -3.7541544 31 O -3.6465362 0.0000000 0.8243693 0.0000000 -1.8341073 0.0000000 0.8912169 0.0000000 -1.2682248 32 O -2.5586599 0.0000000 -0.1043602 0.0000000 -2.4433336 0.0000000 -0.4482368 0.0000000 -2.6063318 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 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: 0.54, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 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 2.095 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.015 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.384 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.516 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.802 ( 0.000 0.000 0.000) 0.000 12.674 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.317 ( 0.000 0.000 0.000) 0.000 13.425 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 14.238 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.712 ( 0.000 0.000 0.000) 0.000 16.690 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 17.020 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.197 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 18.316 ( 0.000 0.000 0.000) 0.000 19.558 ( 0.000 0.000 0.000) 0.000 19.614 ( 0.000 0.000 0.000) 0.000 20.300 ( 0.000 0.000 0.000) 0.000 20.715 ( 0.000 0.000 0.000) 0.000 20.921 ( 0.000 0.000 0.000) 0.000 23.557 ( 0.000 0.000 0.000) 0.000 24.243 ( 0.000 0.000 0.000) 0.000 24.680 ( 0.000 0.000 0.000) 0.000 25.293 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 29.722 0.000 0.000) 29.722 0.622 ( 32.431 0.000 0.000) 32.431 0.962 ( 50.834 0.000 0.000) 50.834 2.099 ( 0.720 0.000 0.000) 0.720 2.101 ( -13.390 0.000 0.000) 13.390 2.242 ( -20.348 0.000 0.000) 20.348 2.248 ( 0.884 0.000 0.000) 0.884 2.568 ( 4.079 0.000 0.000) 4.079 2.596 ( -5.262 0.000 0.000) 5.262 2.646 ( 4.456 0.000 0.000) 4.456 2.805 ( -13.912 0.000 0.000) 13.912 3.007 ( -5.138 0.000 0.000) 5.138 3.081 ( -8.123 0.000 0.000) 8.123 3.253 ( 7.189 0.000 0.000) 7.189 3.353 ( -7.920 0.000 0.000) 7.920 3.369 ( 5.987 0.000 0.000) 5.987 3.400 ( 5.034 0.000 0.000) 5.034 3.586 ( 15.369 0.000 0.000) 15.369 3.930 ( 4.522 0.000 0.000) 4.522 4.121 ( -20.499 0.000 0.000) 20.499 4.263 ( 11.926 0.000 0.000) 11.926 4.547 ( -4.737 0.000 0.000) 4.737 4.618 ( 3.968 0.000 0.000) 3.968 4.675 ( 4.133 0.000 0.000) 4.133 4.901 ( -2.919 0.000 0.000) 2.919 4.945 ( 2.329 0.000 0.000) 2.329 4.983 ( -3.280 0.000 0.000) 3.280 5.087 ( 2.594 0.000 0.000) 2.594 5.551 ( -9.170 0.000 0.000) 9.170 5.770 ( -6.591 0.000 0.000) 6.591 6.007 ( 10.287 0.000 0.000) 10.287 6.264 ( -3.951 0.000 0.000) 3.951 6.776 ( 9.203 0.000 0.000) 9.203 7.059 ( 1.004 0.000 0.000) 1.004 7.148 ( -0.060 0.000 0.000) 0.060 7.315 ( 5.460 0.000 0.000) 5.460 7.443 ( 8.219 0.000 0.000) 8.219 7.512 ( -12.429 0.000 0.000) 12.429 7.725 ( 5.667 0.000 0.000) 5.667 7.803 ( -0.296 0.000 0.000) 0.296 8.156 ( 0.869 0.000 0.000) 0.869 8.215 ( 9.621 0.000 0.000) 9.621 8.236 ( -1.195 0.000 0.000) 1.195 8.315 ( -7.959 0.000 0.000) 7.959 8.726 ( 5.138 0.000 0.000) 5.138 9.020 ( 0.688 0.000 0.000) 0.688 9.367 ( -6.410 0.000 0.000) 6.410 9.408 ( -3.904 0.000 0.000) 3.904 9.414 ( -9.066 0.000 0.000) 9.066 9.488 ( 10.009 0.000 0.000) 10.009 9.505 ( -13.713 0.000 0.000) 13.713 9.505 ( 2.103 0.000 0.000) 2.103 9.652 ( -1.968 0.000 0.000) 1.968 9.934 ( 9.169 0.000 0.000) 9.169 10.129 ( 2.889 0.000 0.000) 2.889 10.315 ( -3.015 0.000 0.000) 3.015 10.449 ( -9.478 0.000 0.000) 9.478 10.585 ( 2.791 0.000 0.000) 2.791 10.762 ( -1.690 0.000 0.000) 1.690 11.115 ( -12.618 0.000 0.000) 12.618 11.225 ( 2.808 0.000 0.000) 2.808 11.234 ( 10.645 0.000 0.000) 10.645 11.511 ( -1.105 0.000 0.000) 1.105 11.737 ( -1.883 0.000 0.000) 1.883 12.683 ( 0.902 0.000 0.000) 0.902 12.756 ( -0.846 0.000 0.000) 0.846 12.900 ( 0.117 0.000 0.000) 0.117 13.053 ( -3.740 0.000 0.000) 3.740 13.259 ( 0.866 0.000 0.000) 0.866 13.311 ( -0.876 0.000 0.000) 0.876 13.487 ( 5.562 0.000 0.000) 5.562 13.533 ( 6.085 0.000 0.000) 6.085 13.555 ( 0.271 0.000 0.000) 0.271 13.577 ( -0.263 0.000 0.000) 0.263 13.954 ( 12.086 0.000 0.000) 12.086 14.519 ( -1.819 0.000 0.000) 1.819 14.788 ( 1.505 0.000 0.000) 1.505 14.899 ( 0.580 0.000 0.000) 0.580 14.934 ( 3.029 0.000 0.000) 3.029 15.583 ( -13.151 0.000 0.000) 13.151 16.696 ( 0.393 0.000 0.000) 0.393 16.717 ( -0.661 0.000 0.000) 0.661 17.021 ( 0.068 0.000 0.000) 0.068 17.027 ( -0.089 0.000 0.000) 0.089 17.199 ( 0.192 0.000 0.000) 0.192 17.214 ( -0.167 0.000 0.000) 0.167 19.593 ( 3.471 0.000 0.000) 3.471 19.645 ( 3.654 0.000 0.000) 3.654 19.741 ( 2.000 0.000 0.000) 2.000 20.258 ( -5.205 0.000 0.000) 5.205 20.616 ( -8.111 0.000 0.000) 8.111 20.898 ( -13.267 0.000 0.000) 13.267 23.724 ( 15.609 0.000 0.000) 15.609 24.590 ( -8.655 0.000 0.000) 8.655 25.397 ( 9.477 0.000 0.000) 9.477 25.880 ( -3.794 0.000 0.000) 3.794 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 29.356 0.000 0.000) 29.356 1.225 ( 30.805 0.000 0.000) 30.805 1.629 ( -16.796 0.000 0.000) 16.796 1.781 ( -27.371 0.000 0.000) 27.371 1.934 ( 28.323 0.000 0.000) 28.323 2.124 ( 1.166 0.000 0.000) 1.166 2.329 ( 9.185 0.000 0.000) 9.185 2.510 ( -3.264 0.000 0.000) 3.264 2.609 ( -3.918 0.000 0.000) 3.918 2.669 ( 5.896 0.000 0.000) 5.896 2.721 ( 2.260 0.000 0.000) 2.260 2.901 ( -4.004 0.000 0.000) 4.004 2.938 ( -6.354 0.000 0.000) 6.354 2.980 ( -32.911 0.000 0.000) 32.911 3.409 ( 9.360 0.000 0.000) 9.360 3.455 ( 2.866 0.000 0.000) 2.866 3.469 ( 1.588 0.000 0.000) 1.588 3.633 ( -16.208 0.000 0.000) 16.208 3.875 ( 13.734 0.000 0.000) 13.734 4.049 ( -3.064 0.000 0.000) 3.064 4.549 ( 14.917 0.000 0.000) 14.917 4.597 ( 7.062 0.000 0.000) 7.062 4.715 ( 5.797 0.000 0.000) 5.797 4.778 ( 6.256 0.000 0.000) 6.256 4.823 ( -5.162 0.000 0.000) 5.162 4.896 ( -5.708 0.000 0.000) 5.708 4.909 ( -5.282 0.000 0.000) 5.282 4.983 ( -11.154 0.000 0.000) 11.154 5.490 ( 3.195 0.000 0.000) 3.195 5.616 ( -8.561 0.000 0.000) 8.561 6.157 ( 5.108 0.000 0.000) 5.108 6.212 ( -1.755 0.000 0.000) 1.755 6.962 ( 8.797 0.000 0.000) 8.797 7.089 ( -5.078 0.000 0.000) 5.078 7.114 ( 5.581 0.000 0.000) 5.581 7.280 ( -11.063 0.000 0.000) 11.063 7.523 ( 13.866 0.000 0.000) 13.866 7.606 ( 7.466 0.000 0.000) 7.466 7.755 ( -4.301 0.000 0.000) 4.301 7.778 ( -4.850 0.000 0.000) 4.850 8.179 ( 1.450 0.000 0.000) 1.450 8.209 ( -1.603 0.000 0.000) 1.603 8.221 ( 2.690 0.000 0.000) 2.690 8.318 ( -1.256 0.000 0.000) 1.256 8.856 ( 8.015 0.000 0.000) 8.015 8.993 ( -4.832 0.000 0.000) 4.832 9.243 ( -4.978 0.000 0.000) 4.978 9.257 ( -8.307 0.000 0.000) 8.307 9.292 ( -1.940 0.000 0.000) 1.940 9.327 ( -4.039 0.000 0.000) 4.039 9.551 ( 2.731 0.000 0.000) 2.731 9.605 ( -2.814 0.000 0.000) 2.814 9.736 ( 15.150 0.000 0.000) 15.150 10.026 ( -13.881 0.000 0.000) 13.881 10.102 ( 8.033 0.000 0.000) 8.033 10.232 ( -5.658 0.000 0.000) 5.658 10.482 ( 13.247 0.000 0.000) 13.247 10.650 ( 3.701 0.000 0.000) 3.701 10.716 ( -3.093 0.000 0.000) 3.093 10.800 ( -18.109 0.000 0.000) 18.109 11.334 ( 6.668 0.000 0.000) 6.668 11.425 ( 5.897 0.000 0.000) 5.897 11.463 ( -0.719 0.000 0.000) 0.719 11.622 ( -8.911 0.000 0.000) 8.911 12.706 ( 1.430 0.000 0.000) 1.430 12.734 ( -1.395 0.000 0.000) 1.395 12.929 ( 2.949 0.000 0.000) 2.949 12.993 ( -3.238 0.000 0.000) 3.238 13.277 ( 0.905 0.000 0.000) 0.905 13.293 ( -0.883 0.000 0.000) 0.883 13.562 ( 0.435 0.000 0.000) 0.435 13.570 ( -0.430 0.000 0.000) 0.430 13.587 ( 3.870 0.000 0.000) 3.870 13.610 ( 1.626 0.000 0.000) 1.626 14.244 ( 15.318 0.000 0.000) 15.318 14.450 ( -6.300 0.000 0.000) 6.300 14.849 ( 4.534 0.000 0.000) 4.534 14.903 ( -0.717 0.000 0.000) 0.717 15.019 ( 7.179 0.000 0.000) 7.179 15.268 ( -17.746 0.000 0.000) 17.746 16.700 ( 0.067 0.000 0.000) 0.067 16.704 ( -0.494 0.000 0.000) 0.494 17.023 ( 0.121 0.000 0.000) 0.121 17.025 ( -0.134 0.000 0.000) 0.134 17.204 ( 0.297 0.000 0.000) 0.297 17.209 ( -0.282 0.000 0.000) 0.282 19.673 ( 4.193 0.000 0.000) 4.193 19.718 ( 0.623 0.000 0.000) 0.623 19.823 ( 9.510 0.000 0.000) 9.510 20.068 ( -13.883 0.000 0.000) 13.883 20.530 ( 0.777 0.000 0.000) 0.777 20.646 ( -10.974 0.000 0.000) 10.974 24.061 ( 18.103 0.000 0.000) 18.103 24.372 ( -14.132 0.000 0.000) 14.132 25.597 ( 10.490 0.000 0.000) 10.490 25.771 ( -7.590 0.000 0.000) 7.590 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 33.911 0.000) 33.911 0.751 ( 0.000 35.750 0.000) 35.750 1.221 ( 0.000 57.218 0.000) 57.218 2.075 ( 0.000 0.212 0.000) 0.212 2.255 ( 0.000 11.535 0.000) 11.535 2.400 ( 0.000 5.507 0.000) 5.507 2.534 ( 0.000 -0.557 0.000) 0.557 2.595 ( 0.000 7.815 0.000) 7.815 2.679 ( 0.000 4.612 0.000) 4.612 2.746 ( 0.000 14.511 0.000) 14.511 3.046 ( 0.000 5.748 0.000) 5.748 3.067 ( 0.000 -3.257 0.000) 3.257 3.113 ( 0.000 -10.064 0.000) 10.064 3.148 ( 0.000 7.810 0.000) 7.810 3.297 ( 0.000 5.746 0.000) 5.746 3.416 ( 0.000 8.146 0.000) 8.146 3.475 ( 0.000 13.279 0.000) 13.279 3.638 ( 0.000 11.497 0.000) 11.497 3.884 ( 0.000 5.401 0.000) 5.401 4.138 ( 0.000 -9.043 0.000) 9.043 4.227 ( 0.000 10.026 0.000) 10.026 4.660 ( 0.000 3.167 0.000) 3.167 4.903 ( 0.000 -0.081 0.000) 0.081 4.926 ( 0.000 10.380 0.000) 10.380 5.002 ( 0.000 19.657 0.000) 19.657 5.189 ( 0.000 32.878 0.000) 32.878 5.284 ( 0.000 26.173 0.000) 26.173 5.341 ( 0.000 28.204 0.000) 28.204 5.650 ( 0.000 0.575 0.000) 0.575 5.771 ( 0.000 3.084 0.000) 3.084 5.888 ( 0.000 6.491 0.000) 6.491 6.307 ( 0.000 0.537 0.000) 0.537 6.695 ( 0.000 1.644 0.000) 1.644 6.958 ( 0.000 -0.154 0.000) 0.154 7.075 ( 0.000 1.955 0.000) 1.955 7.127 ( 0.000 -0.367 0.000) 0.367 7.326 ( 0.000 4.353 0.000) 4.353 7.400 ( 0.000 4.941 0.000) 4.941 7.600 ( 0.000 -5.363 0.000) 5.363 7.757 ( 0.000 -0.110 0.000) 0.110 7.932 ( 0.000 -4.854 0.000) 4.854 8.246 ( 0.000 0.245 0.000) 0.245 8.506 ( 0.000 -3.849 0.000) 3.849 8.554 ( 0.000 12.911 0.000) 12.911 8.827 ( 0.000 5.019 0.000) 5.019 8.866 ( 0.000 12.894 0.000) 12.894 9.115 ( 0.000 5.646 0.000) 5.646 9.206 ( 0.000 -8.996 0.000) 8.996 9.500 ( 0.000 3.957 0.000) 3.957 9.500 ( 0.000 11.537 0.000) 11.537 9.656 ( 0.000 -0.736 0.000) 0.736 9.711 ( 0.000 11.822 0.000) 11.822 9.739 ( 0.000 -4.493 0.000) 4.493 10.042 ( 0.000 4.217 0.000) 4.217 10.322 ( 0.000 -1.079 0.000) 1.079 10.409 ( 0.000 1.805 0.000) 1.805 10.506 ( 0.000 -2.576 0.000) 2.576 10.982 ( 0.000 15.787 0.000) 15.787 11.094 ( 0.000 -0.979 0.000) 0.979 11.156 ( 0.000 0.648 0.000) 0.648 11.291 ( 0.000 -2.785 0.000) 2.785 11.557 ( 0.000 4.106 0.000) 4.106 11.758 ( 0.000 -4.745 0.000) 4.745 11.874 ( 0.000 12.791 0.000) 12.791 12.413 ( 0.000 -20.992 0.000) 20.992 12.501 ( 0.000 -18.955 0.000) 18.955 12.706 ( 0.000 -30.772 0.000) 30.772 12.859 ( 0.000 -31.892 0.000) 31.892 13.190 ( 0.000 2.389 0.000) 2.389 13.266 ( 0.000 -3.828 0.000) 3.828 13.360 ( 0.000 -3.020 0.000) 3.020 13.580 ( 0.000 7.173 0.000) 7.173 13.919 ( 0.000 6.998 0.000) 6.998 13.925 ( 0.000 16.620 0.000) 16.620 14.467 ( 0.000 18.557 0.000) 18.557 14.883 ( 0.000 9.513 0.000) 9.513 14.918 ( 0.000 1.988 0.000) 1.988 14.926 ( 0.000 2.220 0.000) 2.220 15.648 ( 0.000 -0.143 0.000) 0.143 15.669 ( 0.000 -4.133 0.000) 4.133 16.743 ( 0.000 5.107 0.000) 5.107 16.754 ( 0.000 1.867 0.000) 1.867 16.916 ( 0.000 -9.320 0.000) 9.320 16.963 ( 0.000 -18.387 0.000) 18.387 17.002 ( 0.000 -18.302 0.000) 18.302 18.558 ( 0.000 18.636 0.000) 18.636 19.136 ( 0.000 -30.711 0.000) 30.711 19.722 ( 0.000 11.832 0.000) 11.832 20.306 ( 0.000 20.859 0.000) 20.859 20.442 ( 0.000 13.172 0.000) 13.172 20.703 ( 0.000 0.500 0.000) 0.500 20.942 ( 0.000 2.168 0.000) 2.168 23.554 ( 0.000 -0.279 0.000) 0.279 24.164 ( 0.000 -7.299 0.000) 7.299 24.584 ( 0.000 -9.050 0.000) 9.050 25.164 ( 0.000 -12.206 0.000) 12.206 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 18.868 22.982 0.000) 29.735 0.929 ( 17.065 28.154 0.000) 32.922 1.555 ( 28.833 43.593 0.000) 52.265 2.089 ( 0.773 1.197 0.000) 1.425 2.196 ( -15.436 8.546 0.000) 17.644 2.300 ( 1.406 6.635 0.000) 6.782 2.365 ( -18.857 8.682 0.000) 20.760 2.587 ( 4.776 0.691 0.000) 4.825 2.655 ( -4.617 6.426 0.000) 7.913 2.777 ( 3.908 11.107 0.000) 11.775 2.831 ( -11.073 4.209 0.000) 11.847 2.949 ( -8.860 -3.934 0.000) 9.694 3.160 ( -0.051 7.954 0.000) 7.954 3.315 ( 1.442 7.153 0.000) 7.297 3.323 ( 6.721 4.816 0.000) 8.269 3.449 ( 6.165 6.038 0.000) 8.629 3.593 ( -3.600 10.723 0.000) 11.312 3.624 ( 11.349 4.729 0.000) 12.295 3.965 ( 4.447 3.520 0.000) 5.671 4.004 ( -14.352 -5.454 0.000) 15.354 4.324 ( 9.224 7.250 0.000) 11.732 4.577 ( -6.884 4.065 0.000) 7.994 4.837 ( -0.784 8.501 0.000) 8.537 4.924 ( 0.639 -0.333 0.000) 0.721 5.024 ( 3.568 28.589 0.000) 28.810 5.242 ( -1.816 27.819 0.000) 27.878 5.330 ( 5.957 26.231 0.000) 26.899 5.339 ( -0.172 29.593 0.000) 29.594 5.571 ( -6.483 4.212 0.000) 7.731 5.820 ( -6.932 6.356 0.000) 9.405 5.940 ( 11.528 -3.137 0.000) 11.947 6.238 ( -5.494 -1.304 0.000) 5.647 6.783 ( 8.028 0.800 0.000) 8.068 7.045 ( 2.776 -6.873 0.000) 7.412 7.083 ( 1.083 2.152 0.000) 2.409 7.218 ( 7.398 -6.133 0.000) 9.609 7.368 ( 5.888 5.051 0.000) 7.757 7.472 ( 6.487 3.392 0.000) 7.320 7.645 ( 4.290 -6.137 0.000) 7.488 7.683 ( -4.298 -0.333 0.000) 4.311 7.926 ( -1.130 -5.073 0.000) 5.197 8.189 ( -6.972 -1.257 0.000) 7.084 8.529 ( -0.074 14.913 0.000) 14.913 8.576 ( 5.692 2.384 0.000) 6.171 8.898 ( 3.069 10.309 0.000) 10.756 8.926 ( 8.455 -3.488 0.000) 9.147 9.133 ( 1.561 5.361 0.000) 5.584 9.180 ( -2.389 -6.129 0.000) 6.578 9.458 ( -1.507 3.486 0.000) 3.797 9.581 ( 0.110 8.008 0.000) 8.009 9.585 ( -6.996 -1.027 0.000) 7.071 9.730 ( -4.448 -1.318 0.000) 4.639 9.740 ( 8.073 16.841 0.000) 18.676 9.965 ( -3.946 5.609 0.000) 6.858 10.311 ( -1.379 0.304 0.000) 1.412 10.389 ( -0.233 4.586 0.000) 4.591 10.497 ( -0.030 -5.930 0.000) 5.931 10.805 ( -8.686 5.052 0.000) 10.048 11.107 ( -10.694 -1.124 0.000) 10.753 11.236 ( -11.895 12.557 0.000) 17.297 11.270 ( 4.215 2.904 0.000) 5.118 11.358 ( -6.928 6.118 0.000) 9.243 11.682 ( -0.854 11.323 0.000) 11.355 11.881 ( -1.164 12.308 0.000) 12.363 12.410 ( -0.007 -22.333 0.000) 22.333 12.471 ( -2.525 -20.397 0.000) 20.552 12.775 ( 5.382 -30.922 0.000) 31.387 12.853 ( -0.396 -31.225 0.000) 31.227 13.132 ( -2.811 2.103 0.000) 3.510 13.292 ( 1.938 -1.897 0.000) 2.712 13.424 ( 2.532 -3.541 0.000) 4.353 13.426 ( -15.881 15.167 0.000) 21.960 13.937 ( 2.446 15.782 0.000) 15.971 14.069 ( 14.498 10.047 0.000) 17.639 14.277 ( -17.410 31.059 0.000) 35.606 14.880 ( 0.282 7.906 0.000) 7.911 14.907 ( -3.190 5.685 0.000) 6.519 14.961 ( 2.938 3.038 0.000) 4.227 15.081 ( -27.865 33.766 0.000) 43.779 15.546 ( -12.617 -3.545 0.000) 13.106 16.742 ( -0.034 4.379 0.000) 4.379 16.749 ( -0.396 2.483 0.000) 2.514 16.900 ( -1.148 -12.420 0.000) 12.473 16.944 ( -2.088 -16.684 0.000) 16.814 17.021 ( 1.607 -15.011 0.000) 15.097 17.361 ( -34.247 20.542 0.000) 39.935 19.558 ( 13.754 -8.311 0.000) 16.070 19.761 ( 3.918 11.899 0.000) 12.528 20.091 ( -6.984 27.014 0.000) 27.902 20.388 ( -7.075 11.775 0.000) 13.737 20.618 ( -6.198 2.338 0.000) 6.624 20.897 ( -10.130 1.029 0.000) 10.182 23.668 ( 14.167 -4.398 0.000) 14.834 24.499 ( -8.324 -8.667 0.000) 12.017 25.065 ( 39.335 -44.951 0.000) 59.732 25.250 ( 7.635 -13.759 0.000) 15.735 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 23.599 18.061 0.000) 29.717 1.335 ( 27.835 10.024 0.000) 29.585 1.789 ( -22.272 12.457 0.000) 25.519 1.864 ( -25.430 6.160 0.000) 26.165 2.124 ( 18.761 18.078 0.000) 26.054 2.189 ( 1.883 6.048 0.000) 6.334 2.375 ( 9.994 6.115 0.000) 11.716 2.574 ( -3.672 7.541 0.000) 8.388 2.627 ( -2.035 2.391 0.000) 3.140 2.748 ( -12.800 -3.002 0.000) 13.147 2.787 ( 8.547 10.455 0.000) 13.504 2.858 ( 3.369 10.677 0.000) 11.196 3.086 ( -3.379 13.865 0.000) 14.271 3.244 ( -16.256 15.231 0.000) 22.277 3.426 ( 8.396 2.325 0.000) 8.712 3.537 ( 2.854 7.482 0.000) 8.008 3.557 ( 0.128 8.098 0.000) 8.099 3.636 ( -15.705 1.507 0.000) 15.778 3.859 ( 11.780 -0.357 0.000) 11.785 4.012 ( -3.086 -1.131 0.000) 3.287 4.509 ( 7.417 1.029 0.000) 7.488 4.539 ( 1.832 0.757 0.000) 1.983 4.863 ( 1.309 3.698 0.000) 3.923 4.891 ( -2.817 2.128 0.000) 3.530 5.121 ( 6.357 30.174 0.000) 30.837 5.221 ( -2.389 30.791 0.000) 30.884 5.324 ( -1.461 34.960 0.000) 34.990 5.346 ( -2.712 33.659 0.000) 33.768 5.513 ( 3.118 2.407 0.000) 3.939 5.653 ( -9.495 4.889 0.000) 10.680 6.100 ( 5.147 -4.929 0.000) 7.126 6.160 ( -2.514 -4.645 0.000) 5.282 6.937 ( 6.894 -1.487 0.000) 7.053 7.031 ( -3.186 -4.167 0.000) 5.245 7.132 ( 4.451 1.644 0.000) 4.745 7.235 ( -4.781 -2.634 0.000) 5.459 7.543 ( 9.623 2.971 0.000) 10.071 7.591 ( 4.314 -0.278 0.000) 4.323 7.689 ( 3.744 -3.479 0.000) 5.111 7.723 ( 2.368 -4.354 0.000) 4.957 7.891 ( -1.441 -8.027 0.000) 8.155 7.987 ( -11.837 -4.894 0.000) 12.809 8.610 ( 7.228 17.715 0.000) 19.133 8.669 ( 2.526 9.804 0.000) 10.124 8.964 ( 3.809 0.997 0.000) 3.938 9.040 ( 0.341 -3.837 0.000) 3.852 9.138 ( -1.417 3.193 0.000) 3.493 9.139 ( -1.240 0.684 0.000) 1.416 9.411 ( -3.319 2.531 0.000) 4.174 9.415 ( -6.787 0.525 0.000) 6.807 9.546 ( -0.694 7.105 0.000) 7.139 9.587 ( -5.640 9.184 0.000) 10.778 9.970 ( 10.220 15.300 0.000) 18.399 9.997 ( 3.983 3.389 0.000) 5.229 10.311 ( 5.086 7.523 0.000) 9.080 10.440 ( 3.424 -0.642 0.000) 3.483 10.521 ( 2.207 -8.563 0.000) 8.843 10.689 ( -15.389 19.508 0.000) 24.847 10.711 ( -11.145 7.636 0.000) 13.510 10.843 ( -14.132 3.060 0.000) 14.459 11.388 ( 6.140 3.493 0.000) 7.064 11.444 ( 1.818 1.683 0.000) 2.478 11.703 ( 3.138 16.808 0.000) 17.098 11.803 ( -6.133 14.847 0.000) 16.064 12.416 ( 0.545 -23.227 0.000) 23.234 12.432 ( -1.338 -22.709 0.000) 22.749 12.852 ( 1.821 -31.303 0.000) 31.356 12.853 ( 0.479 -29.999 0.000) 30.003 13.097 ( -1.152 4.711 0.000) 4.849 13.135 ( -7.680 16.479 0.000) 18.181 13.370 ( 3.480 -4.941 0.000) 6.044 13.424 ( -1.866 -4.423 0.000) 4.801 13.994 ( 3.314 17.949 0.000) 18.253 14.067 ( -5.277 23.663 0.000) 24.244 14.424 ( 19.968 14.094 0.000) 24.441 14.722 ( -11.280 21.858 0.000) 24.597 14.905 ( 2.294 5.090 0.000) 5.583 14.943 ( -1.276 4.018 0.000) 4.216 15.036 ( 5.871 2.348 0.000) 6.323 15.248 ( -16.215 -1.716 0.000) 16.305 16.742 ( -0.041 3.533 0.000) 3.533 16.743 ( -0.210 3.376 0.000) 3.382 16.886 ( -0.169 -14.504 0.000) 14.505 16.900 ( -1.781 -14.194 0.000) 14.305 17.053 ( 1.711 -11.198 0.000) 11.328 17.099 ( -4.210 -5.024 0.000) 6.555 19.789 ( 11.502 -0.348 0.000) 11.507 19.852 ( 4.381 11.049 0.000) 11.886 20.018 ( -1.720 21.548 0.000) 21.616 20.154 ( -14.816 9.495 0.000) 17.597 20.573 ( 1.709 6.100 0.000) 6.335 20.682 ( -9.760 4.481 0.000) 10.739 23.987 ( 17.426 -6.730 0.000) 18.681 24.287 ( -13.697 -7.909 0.000) 15.816 25.394 ( 6.043 -18.402 0.000) 19.368 25.424 ( 4.881 -28.585 0.000) 28.999 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 32.555 0.000) 32.555 1.444 ( 0.000 31.482 0.000) 31.482 2.165 ( 0.000 8.885 0.000) 8.885 2.279 ( 0.000 41.999 0.000) 41.999 2.521 ( 0.000 0.513 0.000) 0.513 2.547 ( 0.000 11.490 0.000) 11.490 2.599 ( 0.000 21.127 0.000) 21.127 2.771 ( 0.000 8.805 0.000) 8.805 2.782 ( 0.000 5.790 0.000) 5.790 2.955 ( 0.000 -3.326 0.000) 3.326 3.079 ( 0.000 4.250 0.000) 4.250 3.146 ( 0.000 19.461 0.000) 19.461 3.178 ( 0.000 6.762 0.000) 6.762 3.336 ( 0.000 9.386 0.000) 9.386 3.387 ( 0.000 3.905 0.000) 3.905 3.738 ( 0.000 12.032 0.000) 12.032 3.754 ( 0.000 22.055 0.000) 22.055 3.865 ( 0.000 10.857 0.000) 10.857 3.974 ( 0.000 -4.280 0.000) 4.280 4.054 ( 0.000 6.711 0.000) 6.711 4.488 ( 0.000 14.337 0.000) 14.337 4.766 ( 0.000 8.208 0.000) 8.208 4.900 ( 0.000 -0.184 0.000) 0.184 5.011 ( 0.000 3.811 0.000) 3.811 5.478 ( 0.000 15.352 0.000) 15.352 5.579 ( 0.000 -1.203 0.000) 1.203 5.689 ( 0.000 7.857 0.000) 7.857 5.804 ( 0.000 6.053 0.000) 6.053 6.036 ( 0.000 37.516 0.000) 37.516 6.105 ( 0.000 35.443 0.000) 35.443 6.240 ( 0.000 29.913 0.000) 29.913 6.519 ( 0.000 23.685 0.000) 23.685 6.739 ( 0.000 2.699 0.000) 2.699 6.970 ( 0.000 2.137 0.000) 2.137 7.110 ( 0.000 -0.319 0.000) 0.319 7.138 ( 0.000 5.571 0.000) 5.571 7.469 ( 0.000 9.206 0.000) 9.206 7.488 ( 0.000 -4.824 0.000) 4.824 7.565 ( 0.000 11.273 0.000) 11.273 7.782 ( 0.000 -9.347 0.000) 9.347 7.808 ( 0.000 6.090 0.000) 6.090 8.268 ( 0.000 2.093 0.000) 2.093 8.483 ( 0.000 1.953 0.000) 1.953 8.867 ( 0.000 16.625 0.000) 16.625 8.915 ( 0.000 -4.236 0.000) 4.236 8.948 ( 0.000 6.614 0.000) 6.614 9.173 ( 0.000 2.519 0.000) 2.519 9.232 ( 0.000 8.439 0.000) 8.439 9.593 ( 0.000 4.878 0.000) 4.878 9.662 ( 0.000 -3.253 0.000) 3.253 9.671 ( 0.000 2.827 0.000) 2.827 9.673 ( 0.000 -0.494 0.000) 0.494 10.096 ( 0.000 0.975 0.000) 0.975 10.101 ( 0.000 27.384 0.000) 27.384 10.365 ( 0.000 6.766 0.000) 6.766 10.558 ( 0.000 8.654 0.000) 8.654 10.612 ( 0.000 15.664 0.000) 15.664 11.033 ( 0.000 -5.384 0.000) 5.384 11.124 ( 0.000 -10.674 0.000) 10.674 11.194 ( 0.000 -0.609 0.000) 0.609 11.352 ( 0.000 19.777 0.000) 19.777 11.554 ( 0.000 -17.048 0.000) 17.048 11.680 ( 0.000 7.444 0.000) 7.444 11.999 ( 0.000 -37.149 0.000) 37.149 12.029 ( 0.000 -11.613 0.000) 11.613 12.108 ( 0.000 -11.788 0.000) 11.788 12.144 ( 0.000 -14.100 0.000) 14.100 12.209 ( 0.000 -10.218 0.000) 10.218 13.129 ( 0.000 -9.643 0.000) 9.643 13.181 ( 0.000 -2.494 0.000) 2.494 13.272 ( 0.000 -5.548 0.000) 5.548 13.642 ( 0.000 -0.699 0.000) 0.699 14.097 ( 0.000 9.576 0.000) 9.576 14.212 ( 0.000 12.278 0.000) 12.278 14.867 ( 0.000 18.740 0.000) 18.740 14.939 ( 0.000 -0.780 0.000) 0.780 14.980 ( 0.000 2.716 0.000) 2.716 15.117 ( 0.000 12.053 0.000) 12.053 15.546 ( 0.000 -7.908 0.000) 7.908 15.652 ( 0.000 0.762 0.000) 0.762 16.563 ( 0.000 -17.664 0.000) 17.664 16.577 ( 0.000 -17.536 0.000) 17.536 16.582 ( 0.000 -20.362 0.000) 20.362 16.893 ( 0.000 9.165 0.000) 9.165 16.922 ( 0.000 8.194 0.000) 8.194 18.488 ( 0.000 -31.536 0.000) 31.536 18.915 ( 0.000 13.929 0.000) 13.929 19.829 ( 0.000 -4.114 0.000) 4.114 20.673 ( 0.000 14.682 0.000) 14.682 20.793 ( 0.000 19.690 0.000) 19.690 20.835 ( 0.000 13.021 0.000) 13.021 21.014 ( 0.000 4.743 0.000) 4.743 23.545 ( 0.000 -0.597 0.000) 0.597 23.974 ( 0.000 -10.366 0.000) 10.366 24.330 ( 0.000 -15.081 0.000) 15.081 24.821 ( 0.000 -20.484 0.000) 20.484 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 4.941 28.405 0.000) 28.831 1.532 ( 9.001 28.919 0.000) 30.287 2.197 ( 2.583 9.543 0.000) 9.886 2.382 ( -3.752 14.868 0.000) 15.334 2.408 ( -1.141 25.530 0.000) 25.555 2.503 ( -20.739 4.536 0.000) 21.230 2.504 ( -0.719 9.519 0.000) 9.546 2.694 ( 8.769 18.548 0.000) 20.517 2.781 ( -2.458 3.690 0.000) 4.434 2.971 ( 1.825 8.328 0.000) 8.526 2.986 ( -3.519 11.457 0.000) 11.986 3.071 ( -4.580 15.197 0.000) 15.872 3.299 ( 8.794 5.324 0.000) 10.280 3.496 ( 5.925 4.262 0.000) 7.299 3.502 ( 9.448 11.149 0.000) 14.614 3.625 ( -3.874 14.475 0.000) 14.984 3.800 ( -4.713 8.853 0.000) 10.029 3.831 ( 3.782 15.585 0.000) 16.037 3.943 ( -5.801 -0.808 0.000) 5.857 4.069 ( 0.915 6.037 0.000) 6.105 4.537 ( 4.406 12.345 0.000) 13.108 4.722 ( -4.817 10.134 0.000) 11.221 4.924 ( 1.820 0.417 0.000) 1.868 4.956 ( -2.596 5.300 0.000) 5.901 5.479 ( 1.617 11.113 0.000) 11.230 5.572 ( -0.027 3.385 0.000) 3.386 5.801 ( 8.671 6.383 0.000) 10.767 5.869 ( 5.015 -1.311 0.000) 5.183 6.013 ( -1.498 40.100 0.000) 40.128 6.125 ( 1.396 35.928 0.000) 35.955 6.181 ( -5.833 30.622 0.000) 31.173 6.430 ( -8.243 27.016 0.000) 28.245 6.813 ( 6.546 2.264 0.000) 6.927 6.993 ( 1.425 1.387 0.000) 1.989 7.137 ( 2.739 -2.793 0.000) 3.911 7.149 ( 1.101 5.313 0.000) 5.426 7.513 ( 5.280 8.884 0.000) 10.335 7.523 ( 3.476 -5.053 0.000) 6.133 7.605 ( 3.564 9.761 0.000) 10.391 7.738 ( -5.367 4.026 0.000) 6.709 7.802 ( 0.728 -4.510 0.000) 4.568 8.191 ( -8.426 1.759 0.000) 8.607 8.571 ( 7.571 0.352 0.000) 7.579 8.842 ( -0.200 13.063 0.000) 13.064 8.901 ( -1.029 -2.282 0.000) 2.503 8.972 ( 2.828 4.663 0.000) 5.453 9.184 ( 0.624 2.388 0.000) 2.468 9.247 ( -0.430 7.405 0.000) 7.418 9.592 ( -4.846 1.178 0.000) 4.987 9.594 ( -0.060 7.125 0.000) 7.126 9.695 ( 1.687 2.532 0.000) 3.043 9.740 ( 4.533 2.742 0.000) 5.298 10.079 ( -1.085 3.843 0.000) 3.993 10.188 ( 8.642 24.047 0.000) 25.553 10.353 ( -1.403 5.082 0.000) 5.272 10.485 ( -4.491 6.758 0.000) 8.114 10.537 ( -7.005 9.476 0.000) 11.784 10.930 ( -7.007 5.274 0.000) 8.770 11.048 ( -7.450 -5.630 0.000) 9.338 11.284 ( 7.891 -1.823 0.000) 8.099 11.366 ( -15.703 -6.015 0.000) 16.816 11.443 ( 5.875 11.058 0.000) 12.521 11.774 ( 5.775 0.729 0.000) 5.821 11.916 ( -3.021 -25.908 0.000) 26.084 12.050 ( -4.022 -10.288 0.000) 11.046 12.107 ( -4.310 -19.770 0.000) 20.234 12.139 ( 6.230 -24.146 0.000) 24.936 12.245 ( 2.072 -7.037 0.000) 7.335 13.129 ( -0.976 -2.318 0.000) 2.516 13.161 ( 3.063 -9.506 0.000) 9.987 13.333 ( 2.160 -4.903 0.000) 5.357 13.589 ( -5.924 1.897 0.000) 6.221 14.197 ( 6.966 10.824 0.000) 12.872 14.302 ( 12.510 11.422 0.000) 16.940 14.752 ( -10.237 15.756 0.000) 18.790 14.981 ( 2.222 4.905 0.000) 5.384 14.993 ( 1.190 3.410 0.000) 3.612 15.128 ( 1.155 11.548 0.000) 11.606 15.440 ( -10.476 -6.484 0.000) 12.320 15.518 ( -13.664 10.279 0.000) 17.098 16.529 ( -1.843 -19.640 0.000) 19.727 16.558 ( -1.832 -17.106 0.000) 17.204 16.626 ( 3.196 -16.802 0.000) 17.103 16.894 ( -0.215 8.353 0.000) 8.356 16.930 ( 0.688 7.496 0.000) 7.528 17.587 ( -49.910 -0.655 0.000) 49.914 19.406 ( 21.678 -5.755 0.000) 22.429 19.848 ( 1.629 -5.675 0.000) 5.904 20.583 ( -6.207 19.427 0.000) 20.394 20.697 ( -9.356 18.119 0.000) 20.392 20.824 ( -0.588 16.752 0.000) 16.763 20.971 ( -5.358 6.088 0.000) 8.110 23.583 ( 8.355 -3.516 0.000) 9.064 24.256 ( -7.244 -14.321 0.000) 16.049 24.389 ( 29.148 -24.121 0.000) 37.834 24.873 ( 4.235 -22.009 0.000) 22.413 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 16.906 17.043 0.000) 24.006 1.769 ( 15.362 22.888 0.000) 27.566 2.012 ( -22.527 8.560 0.000) 24.098 2.088 ( -17.428 16.039 0.000) 23.685 2.328 ( 4.000 8.013 0.000) 8.956 2.409 ( -3.427 9.849 0.000) 10.428 2.629 ( 8.500 10.143 0.000) 13.234 2.731 ( -2.841 4.765 0.000) 5.548 2.789 ( 1.684 17.254 0.000) 17.336 2.883 ( -7.858 16.113 0.000) 17.927 3.087 ( 10.157 18.947 0.000) 21.498 3.109 ( 5.062 12.422 0.000) 13.414 3.429 ( -0.069 16.882 0.000) 16.882 3.497 ( 8.181 4.129 0.000) 9.164 3.533 ( -6.542 11.939 0.000) 13.614 3.717 ( 5.930 7.936 0.000) 9.907 3.722 ( -11.046 7.875 0.000) 13.565 3.772 ( -3.278 10.563 0.000) 11.059 3.919 ( 5.941 8.761 0.000) 10.585 4.035 ( -4.854 3.728 0.000) 6.120 4.613 ( 2.680 8.135 0.000) 8.565 4.644 ( -1.974 8.852 0.000) 9.070 4.949 ( 0.680 3.527 0.000) 3.592 4.949 ( 0.549 5.145 0.000) 5.174 5.539 ( 3.854 6.559 0.000) 7.608 5.582 ( 0.010 4.430 0.000) 4.430 5.919 ( 0.817 7.681 0.000) 7.725 5.934 ( 2.912 0.444 0.000) 2.946 6.037 ( 3.428 25.380 0.000) 25.611 6.067 ( -3.553 34.584 0.000) 34.766 6.144 ( 1.359 40.306 0.000) 40.329 6.253 ( -9.192 34.396 0.000) 35.603 6.936 ( 5.255 1.715 0.000) 5.528 6.996 ( -1.279 1.653 0.000) 2.090 7.176 ( 1.545 3.087 0.000) 3.452 7.186 ( 1.266 -2.346 0.000) 2.666 7.593 ( 2.910 -2.091 0.000) 3.584 7.638 ( -1.400 4.333 0.000) 4.554 7.684 ( 4.659 4.255 0.000) 6.310 7.685 ( 8.131 3.939 0.000) 9.035 7.793 ( -0.858 -0.502 0.000) 0.995 7.966 ( -13.825 2.811 0.000) 14.108 8.711 ( 6.502 -1.560 0.000) 6.686 8.813 ( -4.090 -1.655 0.000) 4.412 8.973 ( 9.050 8.844 0.000) 12.653 9.062 ( 6.280 1.842 0.000) 6.544 9.146 ( -6.285 3.363 0.000) 7.129 9.185 ( -5.674 2.436 0.000) 6.175 9.523 ( -0.418 7.226 0.000) 7.238 9.568 ( -3.053 9.165 0.000) 9.660 9.734 ( 2.855 10.352 0.000) 10.739 9.786 ( -1.082 9.493 0.000) 9.554 10.119 ( 6.476 6.311 0.000) 9.042 10.254 ( -4.948 11.656 0.000) 12.663 10.335 ( 0.803 -2.752 0.000) 2.867 10.401 ( -6.045 -0.236 0.000) 6.050 10.593 ( 17.554 12.333 0.000) 21.454 10.843 ( -1.493 8.252 0.000) 8.386 10.897 ( -6.572 2.296 0.000) 6.961 10.996 ( -21.891 6.010 0.000) 22.701 11.433 ( 6.703 -0.841 0.000) 6.755 11.506 ( -0.308 3.922 0.000) 3.934 11.865 ( 4.681 -10.370 0.000) 11.378 11.920 ( 2.876 -16.753 0.000) 16.999 11.976 ( -4.811 -18.071 0.000) 18.700 11.991 ( -5.969 -9.191 0.000) 10.959 12.237 ( 3.658 -21.953 0.000) 22.255 12.269 ( 0.170 -14.417 0.000) 14.418 13.179 ( 5.611 -0.671 0.000) 5.651 13.224 ( 2.541 -9.403 0.000) 9.740 13.335 ( -0.779 -1.705 0.000) 1.874 13.420 ( -10.219 8.357 0.000) 13.201 14.325 ( 7.818 14.774 0.000) 16.715 14.517 ( -12.528 18.567 0.000) 22.399 14.671 ( 23.305 8.164 0.000) 24.693 15.001 ( -1.145 5.526 0.000) 5.644 15.015 ( 0.983 5.171 0.000) 5.264 15.135 ( -20.312 4.416 0.000) 20.786 15.168 ( 3.386 10.619 0.000) 11.146 15.275 ( -8.657 11.628 0.000) 14.497 16.506 ( -0.397 -19.008 0.000) 19.012 16.519 ( -1.739 -17.392 0.000) 17.479 16.706 ( 5.589 -12.843 0.000) 14.006 16.845 ( -7.014 -0.392 0.000) 7.025 16.946 ( 1.092 6.031 0.000) 6.129 17.014 ( -10.740 -0.075 0.000) 10.740 19.713 ( 11.986 -7.390 0.000) 14.081 19.854 ( -2.534 -9.091 0.000) 9.437 20.489 ( -3.100 21.864 0.000) 22.082 20.517 ( -6.930 22.268 0.000) 23.321 20.820 ( 0.512 16.423 0.000) 16.431 20.862 ( -4.394 12.495 0.000) 13.246 23.818 ( 14.220 -8.945 0.000) 16.799 24.072 ( -11.874 -12.369 0.000) 17.146 24.806 ( 13.432 -29.046 0.000) 32.002 24.924 ( -0.306 -25.604 0.000) 25.606 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 29.404 0.000) 29.404 2.025 ( 0.000 25.050 0.000) 25.050 2.419 ( 0.000 14.950 0.000) 14.950 2.584 ( 0.000 5.725 0.000) 5.725 2.681 ( 0.000 8.858 0.000) 8.858 2.844 ( 0.000 -1.129 0.000) 1.129 2.882 ( 0.000 17.338 0.000) 17.338 2.935 ( 0.000 6.473 0.000) 6.473 2.978 ( 0.000 6.498 0.000) 6.498 3.136 ( 0.000 11.903 0.000) 11.903 3.326 ( 0.000 7.650 0.000) 7.650 3.370 ( 0.000 33.621 0.000) 33.621 3.472 ( 0.000 4.300 0.000) 4.300 3.486 ( 0.000 4.385 0.000) 4.385 3.501 ( 0.000 13.521 0.000) 13.521 3.891 ( 0.000 -2.617 0.000) 2.617 3.958 ( 0.000 9.379 0.000) 9.379 4.093 ( 0.000 11.689 0.000) 11.689 4.183 ( 0.000 4.713 0.000) 4.713 4.220 ( 0.000 21.930 0.000) 21.930 4.775 ( 0.000 12.895 0.000) 12.895 4.899 ( 0.000 0.156 0.000) 0.156 5.013 ( 0.000 15.339 0.000) 15.339 5.081 ( 0.000 2.773 0.000) 2.773 5.561 ( 0.000 0.372 0.000) 0.372 5.631 ( 0.000 -8.067 0.000) 8.067 5.691 ( 0.000 8.448 0.000) 8.448 5.848 ( 0.000 -0.003 0.000) 0.003 6.626 ( 0.000 12.071 0.000) 12.071 6.757 ( 0.000 23.340 0.000) 23.340 6.788 ( 0.000 5.853 0.000) 5.853 6.903 ( 0.000 7.932 0.000) 7.932 6.939 ( 0.000 29.086 0.000) 29.086 7.082 ( 0.000 6.767 0.000) 6.767 7.214 ( 0.000 14.718 0.000) 14.718 7.382 ( 0.000 2.707 0.000) 2.707 7.506 ( 0.000 21.162 0.000) 21.162 7.628 ( 0.000 -1.553 0.000) 1.553 7.697 ( 0.000 13.578 0.000) 13.578 7.858 ( 0.000 17.157 0.000) 17.157 8.015 ( 0.000 13.443 0.000) 13.443 8.354 ( 0.000 7.720 0.000) 7.720 8.576 ( 0.000 6.606 0.000) 6.606 8.897 ( 0.000 3.398 0.000) 3.398 9.127 ( 0.000 12.175 0.000) 12.175 9.202 ( 0.000 15.267 0.000) 15.267 9.339 ( 0.000 15.029 0.000) 15.029 9.436 ( 0.000 11.859 0.000) 11.859 9.575 ( 0.000 -6.595 0.000) 6.595 9.608 ( 0.000 -1.729 0.000) 1.729 9.685 ( 0.000 4.325 0.000) 4.325 9.773 ( 0.000 6.544 0.000) 6.544 10.107 ( 0.000 0.557 0.000) 0.557 10.568 ( 0.000 8.331 0.000) 8.331 10.598 ( 0.000 12.811 0.000) 12.811 10.779 ( 0.000 12.034 0.000) 12.034 10.788 ( 0.000 -18.047 0.000) 18.047 10.844 ( 0.000 -15.086 0.000) 15.086 10.879 ( 0.000 6.365 0.000) 6.365 11.124 ( 0.000 -20.568 0.000) 20.568 11.242 ( 0.000 4.789 0.000) 4.789 11.255 ( 0.000 -31.812 0.000) 31.812 11.564 ( 0.000 -15.799 0.000) 15.799 11.728 ( 0.000 13.749 0.000) 13.749 11.842 ( 0.000 7.811 0.000) 7.811 11.939 ( 0.000 -6.372 0.000) 6.372 12.022 ( 0.000 11.940 0.000) 11.940 12.336 ( 0.000 2.830 0.000) 2.830 12.866 ( 0.000 -16.151 0.000) 16.151 13.120 ( 0.000 -2.914 0.000) 2.914 13.141 ( 0.000 -6.835 0.000) 6.835 13.575 ( 0.000 -5.407 0.000) 5.407 14.270 ( 0.000 6.173 0.000) 6.173 14.453 ( 0.000 10.989 0.000) 10.989 14.870 ( 0.000 -5.903 0.000) 5.903 15.039 ( 0.000 3.690 0.000) 3.690 15.192 ( 0.000 12.523 0.000) 12.523 15.334 ( 0.000 8.357 0.000) 8.357 15.339 ( 0.000 -12.479 0.000) 12.479 15.686 ( 0.000 2.553 0.000) 2.553 16.184 ( 0.000 -17.689 0.000) 17.689 16.245 ( 0.000 -10.970 0.000) 10.970 16.304 ( 0.000 -8.025 0.000) 8.025 17.083 ( 0.000 7.551 0.000) 7.551 17.142 ( 0.000 12.866 0.000) 12.866 17.898 ( 0.000 -23.805 0.000) 23.805 19.082 ( 0.000 2.223 0.000) 2.223 19.603 ( 0.000 -15.704 0.000) 15.704 20.908 ( 0.000 8.448 0.000) 8.448 21.120 ( 0.000 4.905 0.000) 4.905 21.139 ( 0.000 13.902 0.000) 13.902 21.187 ( 0.000 17.398 0.000) 17.398 23.529 ( 0.000 -1.052 0.000) 1.052 23.773 ( 0.000 -8.625 0.000) 8.625 23.998 ( 0.000 -16.579 0.000) 16.579 24.365 ( 0.000 -23.008 0.000) 23.008 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -2.160 27.076 0.000) 27.162 2.075 ( 5.129 23.646 0.000) 24.196 2.458 ( 3.642 14.877 0.000) 15.316 2.561 ( -4.056 8.130 0.000) 9.085 2.565 ( -20.261 2.176 0.000) 20.377 2.648 ( -2.539 7.588 0.000) 8.001 2.838 ( -2.616 17.111 0.000) 17.310 2.874 ( -1.260 5.766 0.000) 5.902 3.126 ( -0.558 12.506 0.000) 12.519 3.157 ( 7.940 8.328 0.000) 11.506 3.342 ( -6.401 10.037 0.000) 11.905 3.404 ( 5.973 10.497 0.000) 12.078 3.457 ( 8.900 28.160 0.000) 29.533 3.544 ( 6.073 1.625 0.000) 6.287 3.737 ( 11.347 10.644 0.000) 15.558 3.863 ( -1.120 -1.875 0.000) 2.184 3.894 ( -4.891 10.814 0.000) 11.868 4.036 ( -4.980 8.504 0.000) 9.855 4.179 ( -1.244 4.751 0.000) 4.911 4.222 ( 0.182 20.500 0.000) 20.500 4.782 ( 0.762 10.798 0.000) 10.825 4.949 ( 4.366 2.105 0.000) 4.847 4.973 ( -4.325 12.909 0.000) 13.614 5.090 ( 0.661 8.350 0.000) 8.376 5.567 ( -1.969 -1.318 0.000) 2.369 5.613 ( 4.741 1.022 0.000) 4.850 5.768 ( 3.977 -1.607 0.000) 4.289 5.822 ( -2.740 -1.939 0.000) 3.356 6.690 ( 5.526 15.512 0.000) 16.467 6.720 ( -2.346 18.897 0.000) 19.042 6.767 ( -5.452 17.187 0.000) 18.031 6.853 ( 2.833 4.336 0.000) 5.179 7.034 ( 4.675 24.660 0.000) 25.099 7.095 ( 1.241 10.041 0.000) 10.118 7.210 ( -0.324 13.211 0.000) 13.215 7.413 ( 0.307 13.627 0.000) 13.631 7.463 ( -1.363 6.543 0.000) 6.684 7.643 ( 0.897 -2.181 0.000) 2.359 7.766 ( 6.754 15.283 0.000) 16.709 7.866 ( 0.527 15.380 0.000) 15.389 7.981 ( -2.863 14.208 0.000) 14.494 8.310 ( -4.931 11.730 0.000) 12.724 8.627 ( 4.634 4.960 0.000) 6.788 8.867 ( -2.965 3.044 0.000) 4.249 9.108 ( -1.146 9.696 0.000) 9.763 9.151 ( -2.215 13.933 0.000) 14.108 9.332 ( -1.182 12.913 0.000) 12.967 9.386 ( -6.187 5.200 0.000) 8.083 9.620 ( 5.661 -2.439 0.000) 6.164 9.640 ( 2.663 3.170 0.000) 4.140 9.805 ( 9.012 8.532 0.000) 12.410 9.830 ( 6.344 6.056 0.000) 8.771 10.131 ( 2.585 2.335 0.000) 3.484 10.521 ( -6.967 10.691 0.000) 12.761 10.576 ( -1.943 4.101 0.000) 4.538 10.640 ( -5.157 2.459 0.000) 5.714 10.652 ( -13.118 -1.373 0.000) 13.190 10.875 ( 2.959 -5.090 0.000) 5.888 10.932 ( -1.177 -9.894 0.000) 9.963 11.067 ( -3.570 -17.704 0.000) 18.061 11.256 ( 1.484 0.137 0.000) 1.491 11.283 ( 1.425 -26.306 0.000) 26.345 11.566 ( 0.251 -14.400 0.000) 14.402 11.695 ( -3.246 10.150 0.000) 10.656 11.883 ( 2.049 10.082 0.000) 10.288 11.898 ( -3.120 -3.235 0.000) 4.494 12.005 ( 0.547 6.640 0.000) 6.663 12.335 ( -1.658 1.728 0.000) 2.395 12.906 ( 3.695 -15.318 0.000) 15.757 13.033 ( -2.369 -6.905 0.000) 7.300 13.252 ( 5.559 -2.751 0.000) 6.202 13.557 ( -2.098 -4.289 0.000) 4.775 14.380 ( 9.959 5.963 0.000) 11.607 14.519 ( 7.466 9.042 0.000) 11.726 14.837 ( -3.490 -3.795 0.000) 5.156 15.073 ( 3.570 5.523 0.000) 6.576 15.190 ( -1.261 10.312 0.000) 10.388 15.268 ( -6.421 -9.311 0.000) 11.310 15.340 ( 0.871 8.279 0.000) 8.325 15.652 ( -3.867 4.697 0.000) 6.084 16.177 ( -0.003 -14.359 0.000) 14.359 16.282 ( 3.273 -13.767 0.000) 14.151 16.293 ( -1.117 -7.682 0.000) 7.763 17.029 ( -8.793 0.662 0.000) 8.818 17.147 ( 0.500 12.949 0.000) 12.959 17.469 ( -30.130 -3.856 0.000) 30.376 19.288 ( 14.163 -6.951 0.000) 15.776 19.604 ( -0.123 -16.007 0.000) 16.007 20.889 ( -1.644 10.831 0.000) 10.955 21.066 ( -6.517 15.721 0.000) 17.018 21.114 ( -0.278 6.811 0.000) 6.817 21.181 ( -0.973 16.164 0.000) 16.193 23.525 ( 3.030 -2.269 0.000) 3.785 23.943 ( -5.319 -15.484 0.000) 16.372 23.992 ( 16.868 -15.459 0.000) 22.880 24.395 ( 2.159 -23.621 0.000) 23.719 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 5.234 19.637 0.000) 20.322 2.191 ( -6.545 12.808 0.000) 14.383 2.228 ( -0.006 17.094 0.000) 17.094 2.407 ( -10.345 14.533 0.000) 17.839 2.546 ( 4.683 12.955 0.000) 13.775 2.614 ( -2.146 9.697 0.000) 9.932 2.818 ( 0.460 10.912 0.000) 10.922 2.844 ( -1.814 6.207 0.000) 6.467 3.135 ( 1.850 14.142 0.000) 14.262 3.198 ( -4.208 12.940 0.000) 13.607 3.343 ( 7.818 10.090 0.000) 12.764 3.477 ( -2.591 14.581 0.000) 14.810 3.574 ( 4.646 2.888 0.000) 5.471 3.705 ( -7.368 4.999 0.000) 8.904 3.712 ( 11.836 12.530 0.000) 17.236 3.883 ( 4.626 10.233 0.000) 11.230 3.912 ( -8.432 7.973 0.000) 11.604 3.958 ( 1.072 9.746 0.000) 9.805 4.164 ( 1.945 6.780 0.000) 7.053 4.215 ( -1.472 16.797 0.000) 16.861 4.804 ( 1.799 10.015 0.000) 10.175 4.870 ( -5.276 12.485 0.000) 13.554 5.034 ( 4.029 4.755 0.000) 6.232 5.087 ( -1.387 8.604 0.000) 8.715 5.595 ( 4.455 -0.161 0.000) 4.458 5.678 ( -1.139 4.683 0.000) 4.819 5.773 ( 0.260 -8.508 0.000) 8.512 5.804 ( -0.462 -5.812 0.000) 5.830 6.659 ( -1.692 17.291 0.000) 17.374 6.672 ( -3.267 17.604 0.000) 17.905 6.846 ( 7.574 20.559 0.000) 21.910 6.913 ( 1.115 12.074 0.000) 12.125 7.092 ( 1.581 25.219 0.000) 25.269 7.110 ( -0.209 14.302 0.000) 14.303 7.224 ( 2.581 8.109 0.000) 8.510 7.315 ( -6.489 10.211 0.000) 12.098 7.542 ( 5.672 -2.099 0.000) 6.048 7.629 ( -2.868 -2.813 0.000) 4.017 7.877 ( 0.893 14.068 0.000) 14.097 7.895 ( 1.308 17.513 0.000) 17.562 7.969 ( 6.980 15.738 0.000) 17.217 8.162 ( -10.141 17.886 0.000) 20.560 8.720 ( 4.569 3.133 0.000) 5.540 8.798 ( -3.913 2.607 0.000) 4.702 9.123 ( 3.405 5.620 0.000) 6.571 9.170 ( 3.185 10.321 0.000) 10.801 9.248 ( -6.588 2.665 0.000) 7.107 9.277 ( -4.529 8.957 0.000) 10.037 9.698 ( 3.159 9.041 0.000) 9.577 9.715 ( 2.570 4.921 0.000) 5.552 9.954 ( 5.868 11.168 0.000) 12.616 9.972 ( 5.473 8.619 0.000) 10.210 10.214 ( 6.787 4.343 0.000) 8.058 10.366 ( -7.590 5.898 0.000) 9.612 10.424 ( -8.308 0.172 0.000) 8.310 10.437 ( -8.817 2.865 0.000) 9.270 10.683 ( 6.614 -6.367 0.000) 9.181 10.833 ( -7.866 -14.609 0.000) 16.592 10.930 ( 3.495 -1.133 0.000) 3.674 11.004 ( -3.770 -3.857 0.000) 5.394 11.289 ( 1.506 -12.126 0.000) 12.219 11.300 ( 0.377 -22.828 0.000) 22.831 11.577 ( 1.108 -8.295 0.000) 8.368 11.622 ( -3.700 2.587 0.000) 4.514 11.856 ( -0.916 3.520 0.000) 3.637 11.867 ( -1.807 9.869 0.000) 10.033 12.102 ( 7.704 0.431 0.000) 7.716 12.248 ( -6.941 0.343 0.000) 6.950 12.980 ( 3.480 -14.084 0.000) 14.508 13.020 ( -0.559 -11.649 0.000) 11.662 13.362 ( 6.495 0.802 0.000) 6.545 13.485 ( -5.585 -1.063 0.000) 5.685 14.570 ( 9.504 7.446 0.000) 12.073 14.735 ( -7.332 2.154 0.000) 7.642 14.750 ( 15.287 -0.361 0.000) 15.291 15.031 ( -13.376 -5.534 0.000) 14.476 15.160 ( 4.653 10.047 0.000) 11.072 15.214 ( -1.140 9.558 0.000) 9.625 15.385 ( 4.780 9.028 0.000) 10.216 15.529 ( -8.665 9.660 0.000) 12.977 16.202 ( 2.705 -9.290 0.000) 9.676 16.259 ( -2.561 -6.767 0.000) 7.235 16.374 ( 7.479 -16.724 0.000) 18.320 16.643 ( -22.365 -14.204 0.000) 26.494 17.161 ( 1.006 13.293 0.000) 13.331 17.196 ( -3.590 13.579 0.000) 14.045 19.497 ( 7.523 -13.121 0.000) 15.125 19.585 ( -2.281 -15.866 0.000) 16.029 20.872 ( 0.718 14.983 0.000) 15.001 20.936 ( -5.930 17.072 0.000) 18.073 21.122 ( 1.152 11.200 0.000) 11.259 21.152 ( -1.825 14.394 0.000) 14.509 23.647 ( 8.559 -7.441 0.000) 11.341 23.812 ( -8.200 -12.377 0.000) 14.847 24.276 ( 11.314 -22.516 0.000) 25.199 24.403 ( -2.369 -24.316 0.000) 24.431 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 0.000 17.716 0.000) 17.716 2.563 ( 0.000 22.382 0.000) 22.382 2.730 ( 0.000 14.102 0.000) 14.102 2.745 ( 0.000 10.490 0.000) 10.490 2.801 ( 0.000 -2.179 0.000) 2.179 2.836 ( 0.000 6.377 0.000) 6.377 3.004 ( 0.000 -0.168 0.000) 0.168 3.133 ( 0.000 7.727 0.000) 7.727 3.169 ( 0.000 9.745 0.000) 9.745 3.315 ( 0.000 8.761 0.000) 8.761 3.479 ( 0.000 6.317 0.000) 6.317 3.531 ( 0.000 1.515 0.000) 1.515 3.555 ( 0.000 4.092 0.000) 4.092 3.687 ( 0.000 5.272 0.000) 5.272 3.848 ( 0.000 -2.786 0.000) 2.786 4.001 ( 0.000 18.490 0.000) 18.490 4.150 ( 0.000 14.671 0.000) 14.671 4.269 ( 0.000 4.401 0.000) 4.401 4.328 ( 0.000 10.364 0.000) 10.364 4.613 ( 0.000 16.112 0.000) 16.112 4.913 ( 0.000 1.451 0.000) 1.451 4.988 ( 0.000 7.305 0.000) 7.305 5.134 ( 0.000 2.861 0.000) 2.861 5.323 ( 0.000 10.283 0.000) 10.283 5.494 ( 0.000 -0.424 0.000) 0.424 5.624 ( 0.000 5.969 0.000) 5.969 5.833 ( 0.000 -0.604 0.000) 0.604 5.856 ( 0.000 7.398 0.000) 7.398 6.721 ( 0.000 1.067 0.000) 1.067 6.901 ( 0.000 6.674 0.000) 6.674 6.990 ( 0.000 6.092 0.000) 6.092 7.020 ( 0.000 6.236 0.000) 6.236 7.113 ( 0.000 -0.479 0.000) 0.479 7.391 ( 0.000 2.019 0.000) 2.019 7.415 ( 0.000 16.282 0.000) 16.282 7.574 ( 0.000 13.223 0.000) 13.223 7.781 ( 0.000 12.174 0.000) 12.174 7.879 ( 0.000 8.751 0.000) 8.751 8.044 ( 0.000 19.065 0.000) 19.065 8.246 ( 0.000 19.873 0.000) 19.873 8.320 ( 0.000 15.699 0.000) 15.699 8.664 ( 0.000 22.007 0.000) 22.007 8.735 ( 0.000 8.545 0.000) 8.545 8.992 ( 0.000 2.399 0.000) 2.399 9.447 ( 0.000 7.654 0.000) 7.654 9.448 ( 0.000 15.882 0.000) 15.882 9.472 ( 0.000 -1.679 0.000) 1.679 9.553 ( 0.000 -0.371 0.000) 0.371 9.737 ( 0.000 16.886 0.000) 16.886 9.780 ( 0.000 21.370 0.000) 21.370 9.800 ( 0.000 7.466 0.000) 7.466 9.828 ( 0.000 -8.181 0.000) 8.181 10.126 ( 0.000 1.040 0.000) 1.040 10.202 ( 0.000 -30.288 0.000) 30.288 10.376 ( 0.000 -17.487 0.000) 17.487 10.451 ( 0.000 -9.762 0.000) 9.762 10.667 ( 0.000 -16.132 0.000) 16.132 10.822 ( 0.000 3.074 0.000) 3.074 10.831 ( 0.000 -13.135 0.000) 13.135 10.985 ( 0.000 -0.707 0.000) 0.707 11.191 ( 0.000 23.814 0.000) 23.814 11.419 ( 0.000 11.485 0.000) 11.485 11.541 ( 0.000 4.323 0.000) 4.323 11.897 ( 0.000 3.668 0.000) 3.668 11.958 ( 0.000 11.496 0.000) 11.496 11.985 ( 0.000 5.596 0.000) 5.596 12.274 ( 0.000 -7.775 0.000) 7.775 12.376 ( 0.000 17.241 0.000) 17.241 12.473 ( 0.000 -21.480 0.000) 21.480 13.007 ( 0.000 -6.096 0.000) 6.096 13.076 ( 0.000 -1.341 0.000) 1.341 13.433 ( 0.000 -8.207 0.000) 8.207 14.308 ( 0.000 -2.655 0.000) 2.655 14.574 ( 0.000 -1.635 0.000) 1.635 14.711 ( 0.000 -9.042 0.000) 9.042 15.046 ( 0.000 -15.343 0.000) 15.343 15.204 ( 0.000 14.093 0.000) 14.093 15.388 ( 0.000 7.439 0.000) 7.439 15.463 ( 0.000 5.193 0.000) 5.193 15.752 ( 0.000 3.667 0.000) 3.667 15.898 ( 0.000 -9.292 0.000) 9.292 16.156 ( 0.000 1.153 0.000) 1.153 16.257 ( 0.000 2.480 0.000) 2.480 17.040 ( 0.000 -13.058 0.000) 13.058 17.438 ( 0.000 15.789 0.000) 15.789 17.689 ( 0.000 4.963 0.000) 4.963 19.022 ( 0.000 -7.350 0.000) 7.350 19.245 ( 0.000 -18.439 0.000) 18.439 21.031 ( 0.000 3.879 0.000) 3.879 21.189 ( 0.000 1.556 0.000) 1.556 21.344 ( 0.000 5.855 0.000) 5.855 21.459 ( 0.000 8.469 0.000) 8.469 23.502 ( 0.000 -1.447 0.000) 1.447 23.632 ( 0.000 -5.296 0.000) 5.296 23.682 ( 0.000 -13.692 0.000) 13.692 23.917 ( 0.000 -19.906 0.000) 19.906 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 1.170 14.946 0.000) 14.991 2.500 ( -5.743 22.442 0.000) 23.165 2.613 ( -10.626 4.665 0.000) 11.605 2.739 ( -0.873 9.557 0.000) 9.597 2.773 ( 2.285 14.453 0.000) 14.632 2.804 ( -2.615 7.204 0.000) 7.664 2.983 ( -1.554 3.694 0.000) 4.007 3.147 ( -2.816 12.322 0.000) 12.639 3.280 ( 9.519 3.436 0.000) 10.120 3.314 ( 0.986 7.159 0.000) 7.226 3.493 ( -2.325 5.667 0.000) 6.126 3.553 ( 5.927 3.725 0.000) 7.000 3.568 ( 1.636 3.846 0.000) 4.179 3.802 ( 2.237 -3.482 0.000) 4.138 3.879 ( 10.318 2.061 0.000) 10.522 4.029 ( 2.640 17.249 0.000) 17.450 4.077 ( -6.339 11.647 0.000) 13.261 4.182 ( -6.841 6.302 0.000) 9.301 4.311 ( -3.025 7.806 0.000) 8.372 4.607 ( -1.768 16.167 0.000) 16.263 4.974 ( 1.810 8.336 0.000) 8.530 4.996 ( 5.407 2.147 0.000) 5.818 5.163 ( 1.312 6.288 0.000) 6.423 5.327 ( 0.618 11.456 0.000) 11.473 5.489 ( -0.106 -1.772 0.000) 1.775 5.644 ( 1.740 3.132 0.000) 3.583 5.809 ( -2.556 0.514 0.000) 2.607 5.823 ( -2.960 5.112 0.000) 5.907 6.766 ( 3.220 -0.540 0.000) 3.265 6.947 ( 2.914 6.098 0.000) 6.758 6.954 ( 1.095 9.428 0.000) 9.491 6.971 ( -2.894 7.479 0.000) 8.019 7.213 ( 6.378 0.475 0.000) 6.395 7.397 ( 2.638 5.808 0.000) 6.379 7.481 ( 3.449 9.388 0.000) 10.001 7.554 ( -1.409 13.043 0.000) 13.119 7.723 ( -4.565 9.135 0.000) 10.212 7.796 ( -7.966 10.202 0.000) 12.944 8.169 ( 11.185 21.334 0.000) 24.088 8.235 ( -0.669 20.240 0.000) 20.251 8.305 ( -1.464 16.716 0.000) 16.780 8.685 ( 0.972 22.448 0.000) 22.469 8.757 ( 2.277 7.269 0.000) 7.617 8.968 ( -2.483 3.126 0.000) 3.992 9.371 ( -5.149 13.324 0.000) 14.284 9.382 ( -4.091 5.474 0.000) 6.834 9.500 ( -6.120 10.896 0.000) 12.497 9.595 ( -1.116 5.898 0.000) 6.003 9.612 ( 3.865 2.023 0.000) 4.362 9.743 ( 1.667 6.405 0.000) 6.619 9.907 ( 5.491 -1.890 0.000) 5.807 10.004 ( 11.102 9.754 0.000) 14.778 10.190 ( -1.224 -29.395 0.000) 29.420 10.190 ( 6.035 1.014 0.000) 6.119 10.375 ( -0.153 -15.244 0.000) 15.244 10.436 ( -1.769 -6.402 0.000) 6.642 10.647 ( -7.404 -10.994 0.000) 13.255 10.738 ( -0.036 -10.644 0.000) 10.644 10.750 ( -7.188 2.275 0.000) 7.540 11.054 ( 3.846 -3.764 0.000) 5.381 11.106 ( -7.541 19.659 0.000) 21.055 11.369 ( -5.622 11.519 0.000) 12.818 11.561 ( 2.113 4.411 0.000) 4.891 11.867 ( -6.856 7.040 0.000) 9.827 11.920 ( 2.868 5.507 0.000) 6.209 12.042 ( 3.934 6.696 0.000) 7.766 12.269 ( -1.115 -7.116 0.000) 7.203 12.283 ( -6.945 11.946 0.000) 13.818 12.565 ( 6.506 -14.451 0.000) 15.848 12.890 ( -6.643 -5.914 0.000) 8.894 13.200 ( 7.567 -2.835 0.000) 8.081 13.433 ( -0.280 -7.552 0.000) 7.557 14.403 ( 9.066 -3.663 0.000) 9.778 14.593 ( 1.959 -3.156 0.000) 3.715 14.700 ( -1.158 -8.640 0.000) 8.717 14.993 ( -5.477 -14.353 0.000) 15.362 15.281 ( 7.437 15.020 0.000) 16.760 15.390 ( 0.327 7.383 0.000) 7.390 15.470 ( 1.255 5.584 0.000) 5.723 15.749 ( -0.621 4.755 0.000) 4.796 15.917 ( 2.388 -9.709 0.000) 9.998 16.168 ( 1.168 1.192 0.000) 1.669 16.247 ( -0.940 2.252 0.000) 2.440 16.847 ( -20.057 -13.677 0.000) 24.277 17.445 ( 0.747 15.895 0.000) 15.912 17.595 ( -6.522 12.749 0.000) 14.321 19.100 ( 6.166 -11.382 0.000) 12.945 19.245 ( -0.092 -18.332 0.000) 18.333 21.043 ( 1.365 4.674 0.000) 4.869 21.215 ( 2.732 2.616 0.000) 3.783 21.294 ( -4.856 6.506 0.000) 8.118 21.435 ( -2.450 7.882 0.000) 8.254 23.486 ( 0.132 -1.671 0.000) 1.676 23.651 ( -2.842 -12.496 0.000) 12.815 23.739 ( 8.442 -9.609 0.000) 12.791 23.942 ( 1.874 -19.848 0.000) 19.937 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -3.379 18.711 0.000) 19.013 2.410 ( -4.762 10.544 0.000) 11.569 2.583 ( 4.316 15.584 0.000) 16.171 2.679 ( -5.081 12.157 0.000) 13.176 2.790 ( 1.086 7.464 0.000) 7.542 2.808 ( 0.240 11.061 0.000) 11.064 2.982 ( 2.521 7.330 0.000) 7.751 3.066 ( -5.155 11.998 0.000) 13.059 3.354 ( 2.621 7.216 0.000) 7.677 3.390 ( 0.172 5.670 0.000) 5.672 3.500 ( 4.645 4.844 0.000) 6.711 3.576 ( -1.394 -0.936 0.000) 1.679 3.674 ( 5.481 5.892 0.000) 8.047 3.761 ( -3.819 1.272 0.000) 4.026 3.979 ( -1.608 10.136 0.000) 10.262 4.031 ( -4.980 2.880 0.000) 5.753 4.102 ( 4.728 10.582 0.000) 11.591 4.168 ( 5.802 9.444 0.000) 11.084 4.251 ( 4.189 2.878 0.000) 5.083 4.487 ( -11.172 7.978 0.000) 13.728 5.029 ( 5.048 12.238 0.000) 13.239 5.130 ( -4.454 12.221 0.000) 13.007 5.150 ( 8.874 6.949 0.000) 11.271 5.297 ( -5.404 11.253 0.000) 12.483 5.541 ( 6.017 -3.163 0.000) 6.798 5.648 ( -3.075 -2.771 0.000) 4.139 5.758 ( -1.244 2.756 0.000) 3.024 5.771 ( -1.974 1.467 0.000) 2.460 6.802 ( 1.834 2.941 0.000) 3.466 6.866 ( -4.746 6.194 0.000) 7.803 7.064 ( 5.427 7.877 0.000) 9.566 7.070 ( 6.844 10.336 0.000) 12.397 7.292 ( 3.401 1.048 0.000) 3.559 7.420 ( -5.265 3.977 0.000) 6.599 7.523 ( 3.812 1.704 0.000) 4.176 7.562 ( 2.482 11.917 0.000) 12.173 7.629 ( -5.188 7.091 0.000) 8.786 7.644 ( -5.757 16.821 0.000) 17.779 8.237 ( 1.027 19.923 0.000) 19.949 8.269 ( -2.029 18.551 0.000) 18.661 8.417 ( 13.659 23.902 0.000) 27.529 8.634 ( -7.585 24.200 0.000) 25.361 8.817 ( 3.856 4.972 0.000) 6.292 8.898 ( -4.503 4.067 0.000) 6.068 9.298 ( -1.802 10.754 0.000) 10.903 9.313 ( -2.957 5.603 0.000) 6.335 9.416 ( 0.775 13.217 0.000) 13.240 9.500 ( -6.368 10.429 0.000) 12.219 9.755 ( 7.301 -1.022 0.000) 7.373 9.813 ( 1.876 0.818 0.000) 2.046 10.023 ( 6.427 -12.365 0.000) 13.936 10.118 ( -2.226 -16.655 0.000) 16.803 10.214 ( 6.592 -1.411 0.000) 6.741 10.319 ( 5.902 1.120 0.000) 6.007 10.356 ( -6.866 0.876 0.000) 6.921 10.371 ( -0.220 -8.154 0.000) 8.157 10.501 ( -2.958 -8.953 0.000) 9.429 10.582 ( -9.106 -0.871 0.000) 9.148 10.822 ( 6.425 -2.899 0.000) 7.049 10.956 ( -7.604 9.899 0.000) 12.483 11.117 ( 3.801 -0.173 0.000) 3.805 11.229 ( -7.747 6.949 0.000) 10.407 11.624 ( 4.516 4.753 0.000) 6.556 11.732 ( -6.740 5.310 0.000) 8.581 12.007 ( 5.996 9.206 0.000) 10.986 12.118 ( 0.867 6.204 0.000) 6.265 12.151 ( -3.595 8.154 0.000) 8.911 12.218 ( -4.038 -2.905 0.000) 4.974 12.684 ( 5.696 -12.704 0.000) 13.922 12.782 ( -4.985 -9.722 0.000) 10.926 13.330 ( 5.744 -3.744 0.000) 6.856 13.409 ( -2.558 -5.797 0.000) 6.336 14.592 ( 7.804 -4.780 0.000) 9.152 14.658 ( 6.735 -7.946 0.000) 10.417 14.667 ( -2.339 -7.207 0.000) 7.577 14.844 ( -9.833 -11.617 0.000) 15.220 15.393 ( 1.998 9.983 0.000) 10.181 15.399 ( 0.436 7.521 0.000) 7.534 15.570 ( 9.640 11.838 0.000) 15.267 15.711 ( -4.068 8.642 0.000) 9.552 16.024 ( 10.701 -11.034 0.000) 15.371 16.196 ( 1.610 1.681 0.000) 2.327 16.224 ( -1.537 1.099 0.000) 1.890 16.379 ( -25.020 -9.289 0.000) 26.688 17.466 ( 1.517 16.187 0.000) 16.258 17.507 ( -2.972 16.274 0.000) 16.543 19.197 ( 3.518 -15.751 0.000) 16.140 19.237 ( -0.969 -17.711 0.000) 17.738 21.090 ( 3.761 6.512 0.000) 7.520 21.185 ( -5.960 7.281 0.000) 9.409 21.286 ( 4.415 4.562 0.000) 6.349 21.370 ( -4.170 6.438 0.000) 7.670 23.520 ( 3.089 -4.936 0.000) 5.823 23.587 ( -3.672 -9.245 0.000) 9.948 23.887 ( 6.190 -15.524 0.000) 16.713 23.956 ( -1.078 -18.877 0.000) 18.908 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.000 0.641 0.000) 0.641 2.831 ( 0.000 6.780 0.000) 6.780 2.853 ( 0.000 9.832 0.000) 9.832 2.868 ( 0.000 -4.232 0.000) 4.232 2.936 ( 0.000 3.243 0.000) 3.243 3.026 ( 0.000 6.368 0.000) 6.368 3.083 ( 0.000 18.821 0.000) 18.821 3.284 ( 0.000 6.989 0.000) 6.989 3.297 ( 0.000 4.132 0.000) 4.132 3.488 ( 0.000 6.922 0.000) 6.922 3.528 ( 0.000 -0.600 0.000) 0.600 3.580 ( 0.000 3.110 0.000) 3.110 3.672 ( 0.000 6.338 0.000) 6.338 3.741 ( 0.000 0.317 0.000) 0.317 3.750 ( 0.000 -6.743 0.000) 6.743 4.087 ( 0.000 -2.744 0.000) 2.744 4.373 ( 0.000 5.491 0.000) 5.491 4.487 ( 0.000 4.865 0.000) 4.865 4.540 ( 0.000 15.811 0.000) 15.811 4.881 ( 0.000 10.302 0.000) 10.302 4.975 ( 0.000 4.730 0.000) 4.730 5.058 ( 0.000 -0.529 0.000) 0.529 5.211 ( 0.000 4.507 0.000) 4.507 5.334 ( 0.000 -1.322 0.000) 1.322 5.706 ( 0.000 12.667 0.000) 12.667 5.774 ( 0.000 7.254 0.000) 7.254 5.847 ( 0.000 1.889 0.000) 1.889 5.975 ( 0.000 3.866 0.000) 3.866 6.793 ( 0.000 8.198 0.000) 8.198 7.065 ( 0.000 9.020 0.000) 9.020 7.099 ( 0.000 4.583 0.000) 4.583 7.157 ( 0.000 4.625 0.000) 4.625 7.175 ( 0.000 8.051 0.000) 8.051 7.501 ( 0.000 9.181 0.000) 9.181 7.646 ( 0.000 7.335 0.000) 7.335 7.715 ( 0.000 0.742 0.000) 0.742 7.933 ( 0.000 -1.244 0.000) 1.244 8.021 ( 0.000 10.748 0.000) 10.748 8.369 ( 0.000 10.026 0.000) 10.026 8.597 ( 0.000 7.796 0.000) 7.796 8.658 ( 0.000 17.468 0.000) 17.468 8.901 ( 0.000 6.849 0.000) 6.849 8.921 ( 0.000 -4.174 0.000) 4.174 9.109 ( 0.000 18.508 0.000) 18.508 9.291 ( 0.000 -23.647 0.000) 23.647 9.512 ( 0.000 2.635 0.000) 2.635 9.519 ( 0.000 0.534 0.000) 0.534 9.521 ( 0.000 -3.294 0.000) 3.294 9.659 ( 0.000 -16.578 0.000) 16.578 9.816 ( 0.000 9.995 0.000) 9.995 9.849 ( 0.000 -9.514 0.000) 9.514 10.078 ( 0.000 14.226 0.000) 14.226 10.096 ( 0.000 -0.665 0.000) 0.665 10.121 ( 0.000 5.174 0.000) 5.174 10.223 ( 0.000 8.859 0.000) 8.859 10.493 ( 0.000 -5.703 0.000) 5.703 10.496 ( 0.000 1.403 0.000) 1.403 10.713 ( 0.000 9.767 0.000) 9.767 10.762 ( 0.000 -7.093 0.000) 7.093 11.013 ( 0.000 5.307 0.000) 5.307 11.475 ( 0.000 -10.728 0.000) 10.728 11.620 ( 0.000 8.418 0.000) 8.418 11.687 ( 0.000 20.157 0.000) 20.157 11.882 ( 0.000 -21.739 0.000) 21.739 12.084 ( 0.000 11.248 0.000) 11.248 12.126 ( 0.000 -3.820 0.000) 3.820 12.199 ( 0.000 1.988 0.000) 1.988 12.210 ( 0.000 12.198 0.000) 12.198 12.636 ( 0.000 8.046 0.000) 8.046 12.899 ( 0.000 -3.864 0.000) 3.864 13.052 ( 0.000 -1.590 0.000) 1.590 13.244 ( 0.000 -10.296 0.000) 10.296 14.206 ( 0.000 -5.454 0.000) 5.454 14.422 ( 0.000 -10.583 0.000) 10.583 14.535 ( 0.000 -7.133 0.000) 7.133 14.748 ( 0.000 -12.946 0.000) 12.946 15.536 ( 0.000 7.571 0.000) 7.571 15.553 ( 0.000 16.330 0.000) 16.330 15.574 ( 0.000 5.554 0.000) 5.554 15.814 ( 0.000 1.346 0.000) 1.346 15.817 ( 0.000 1.970 0.000) 1.970 16.210 ( 0.000 2.129 0.000) 2.129 16.348 ( 0.000 5.315 0.000) 5.315 16.743 ( 0.000 -12.821 0.000) 12.821 17.780 ( 0.000 17.453 0.000) 17.453 17.915 ( 0.000 14.000 0.000) 14.000 18.810 ( 0.000 -12.715 0.000) 12.715 18.868 ( 0.000 -18.120 0.000) 18.120 21.083 ( 0.000 1.647 0.000) 1.647 21.187 ( 0.000 -1.393 0.000) 1.393 21.397 ( 0.000 0.296 0.000) 0.296 21.530 ( 0.000 -0.952 0.000) 0.952 23.455 ( 0.000 -8.196 0.000) 8.196 23.475 ( 0.000 -1.098 0.000) 1.098 23.546 ( 0.000 -3.329 0.000) 3.329 23.576 ( 0.000 -13.028 0.000) 13.028 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -2.846 3.099 0.000) 4.207 2.820 ( -1.728 8.339 0.000) 8.516 2.836 ( 0.706 12.203 0.000) 12.223 2.918 ( -1.501 4.287 0.000) 4.542 2.978 ( 4.705 -4.122 0.000) 6.255 3.018 ( 0.655 8.618 0.000) 8.643 3.020 ( -5.486 16.988 0.000) 17.851 3.318 ( 1.045 5.079 0.000) 5.186 3.335 ( 5.248 3.283 0.000) 6.190 3.452 ( -2.913 5.703 0.000) 6.404 3.539 ( 0.672 -1.785 0.000) 1.908 3.586 ( -0.897 2.888 0.000) 3.024 3.699 ( 2.876 5.687 0.000) 6.373 3.725 ( 1.785 -3.786 0.000) 4.185 3.850 ( 7.723 -3.451 0.000) 8.459 4.082 ( -0.628 -3.044 0.000) 3.108 4.321 ( -3.857 6.819 0.000) 7.834 4.417 ( -8.543 13.314 0.000) 15.819 4.442 ( -4.444 4.410 0.000) 6.261 4.819 ( -10.784 2.974 0.000) 11.187 5.070 ( 12.600 6.769 0.000) 14.303 5.143 ( 6.507 7.528 0.000) 9.950 5.276 ( 5.731 5.024 0.000) 7.622 5.381 ( 4.487 -0.213 0.000) 4.492 5.659 ( -4.666 11.792 0.000) 12.681 5.741 ( -3.226 5.201 0.000) 6.120 5.832 ( -1.711 1.623 0.000) 2.359 5.923 ( -5.178 3.767 0.000) 6.404 6.840 ( 4.279 8.968 0.000) 9.936 7.101 ( 2.260 8.295 0.000) 8.597 7.127 ( 4.420 6.971 0.000) 8.254 7.133 ( -2.654 8.064 0.000) 8.489 7.224 ( 4.961 1.682 0.000) 5.238 7.518 ( 2.350 9.167 0.000) 9.463 7.645 ( -2.104 5.591 0.000) 5.974 7.700 ( -1.064 1.365 0.000) 1.731 7.895 ( -3.038 0.728 0.000) 3.124 7.917 ( -7.794 9.457 0.000) 12.255 8.517 ( 12.102 8.999 0.000) 15.081 8.604 ( 0.776 9.125 0.000) 9.157 8.664 ( 0.407 18.174 0.000) 18.179 8.894 ( -2.433 -5.242 0.000) 5.779 8.899 ( -0.021 6.057 0.000) 6.057 9.108 ( -0.760 16.800 0.000) 16.817 9.312 ( 2.502 -19.599 0.000) 19.758 9.490 ( -1.367 4.480 0.000) 4.684 9.549 ( 1.573 -2.362 0.000) 2.838 9.575 ( 5.053 -1.559 0.000) 5.288 9.653 ( -1.560 -15.920 0.000) 15.997 9.777 ( -2.696 7.007 0.000) 7.508 9.786 ( -4.624 3.061 0.000) 5.545 10.041 ( -5.984 5.709 0.000) 8.271 10.081 ( 1.557 0.362 0.000) 1.598 10.133 ( 2.148 -4.235 0.000) 4.748 10.286 ( 4.629 9.229 0.000) 10.325 10.448 ( -4.120 -7.271 0.000) 8.357 10.513 ( 0.227 3.530 0.000) 3.537 10.697 ( -6.297 -5.332 0.000) 8.251 10.800 ( 9.273 13.811 0.000) 16.635 11.054 ( 4.379 5.114 0.000) 6.732 11.428 ( -7.050 0.240 0.000) 7.054 11.568 ( -1.060 1.917 0.000) 2.190 11.648 ( -6.317 15.432 0.000) 16.675 11.814 ( -5.820 -16.547 0.000) 17.541 12.082 ( 1.635 6.230 0.000) 6.441 12.161 ( 2.553 1.327 0.000) 2.877 12.180 ( -0.202 5.498 0.000) 5.502 12.282 ( 3.928 4.131 0.000) 5.700 12.603 ( -2.565 7.687 0.000) 8.104 12.812 ( -6.681 -1.368 0.000) 6.820 13.128 ( 5.488 -4.396 0.000) 7.031 13.254 ( 0.777 -9.974 0.000) 10.004 14.280 ( 7.023 -6.536 0.000) 9.593 14.434 ( 1.222 -10.194 0.000) 10.267 14.524 ( -1.096 -7.422 0.000) 7.502 14.710 ( -3.989 -12.478 0.000) 13.100 15.537 ( 0.181 7.429 0.000) 7.432 15.557 ( -0.064 7.548 0.000) 7.549 15.653 ( 8.777 12.648 0.000) 15.395 15.818 ( 0.406 1.358 0.000) 1.417 15.823 ( 0.493 1.777 0.000) 1.844 16.226 ( 1.618 2.406 0.000) 2.900 16.332 ( -1.777 4.923 0.000) 5.234 16.604 ( -13.619 -8.914 0.000) 16.277 17.789 ( 0.853 17.436 0.000) 17.457 17.891 ( -2.159 15.341 0.000) 15.493 18.834 ( 1.945 -14.322 0.000) 14.454 18.871 ( 0.198 -18.010 0.000) 18.011 21.103 ( 2.190 1.798 0.000) 2.834 21.223 ( 3.636 -1.390 0.000) 3.892 21.357 ( -3.894 0.751 0.000) 3.966 21.499 ( -3.158 -1.081 0.000) 3.338 23.447 ( -0.535 -7.177 0.000) 7.197 23.457 ( -1.042 -0.970 0.000) 1.424 23.585 ( 3.005 -5.780 0.000) 6.514 23.603 ( 2.242 -13.017 0.000) 13.209 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 3.766 10.073 0.000) 10.754 2.735 ( -6.719 12.920 0.000) 14.563 2.866 ( 2.285 12.143 0.000) 12.356 2.911 ( 0.632 5.385 0.000) 5.422 2.926 ( -3.333 11.503 0.000) 11.976 2.955 ( -2.727 3.203 0.000) 4.207 3.131 ( 7.391 6.048 0.000) 9.550 3.268 ( -6.279 7.240 0.000) 9.583 3.440 ( 4.122 -0.015 0.000) 4.122 3.444 ( 2.015 1.852 0.000) 2.737 3.537 ( -0.996 -2.570 0.000) 2.756 3.542 ( -2.581 -0.451 0.000) 2.620 3.768 ( 3.391 3.394 0.000) 4.797 3.781 ( 2.373 0.913 0.000) 2.542 3.991 ( 4.762 -5.426 0.000) 7.219 4.052 ( -2.703 -2.685 0.000) 3.810 4.309 ( -1.694 9.268 0.000) 9.422 4.321 ( 5.591 5.655 0.000) 7.953 4.351 ( -3.024 6.057 0.000) 6.770 4.563 ( -14.921 1.221 0.000) 14.971 5.265 ( 6.920 9.354 0.000) 11.635 5.330 ( 12.259 10.008 0.000) 15.826 5.346 ( -0.334 8.574 0.000) 8.581 5.483 ( 2.511 2.968 0.000) 3.887 5.556 ( -2.733 7.901 0.000) 8.360 5.653 ( -6.106 2.338 0.000) 6.539 5.793 ( -1.551 0.863 0.000) 1.775 5.815 ( -4.496 2.078 0.000) 4.953 6.928 ( 4.816 9.993 0.000) 11.093 7.025 ( -5.380 9.528 0.000) 10.942 7.206 ( 5.260 5.076 0.000) 7.310 7.268 ( 2.732 6.519 0.000) 7.069 7.290 ( 7.783 1.350 0.000) 7.899 7.503 ( -9.877 4.986 0.000) 11.064 7.607 ( 4.359 7.633 0.000) 8.790 7.688 ( -1.668 5.400 0.000) 5.652 7.800 ( -2.282 5.416 0.000) 5.877 7.838 ( -3.346 2.970 0.000) 4.474 8.628 ( 1.699 13.032 0.000) 13.142 8.658 ( -0.871 18.082 0.000) 18.103 8.736 ( 8.475 -1.605 0.000) 8.626 8.838 ( -3.533 -7.043 0.000) 7.879 8.930 ( 4.595 11.120 0.000) 12.032 9.050 ( -5.674 14.878 0.000) 15.923 9.393 ( 5.999 -9.972 0.000) 11.638 9.479 ( 0.329 7.784 0.000) 7.791 9.532 ( -2.791 2.653 0.000) 3.851 9.545 ( -7.726 -8.044 0.000) 11.153 9.686 ( 5.485 -4.467 0.000) 7.073 9.750 ( -1.214 -2.269 0.000) 2.573 9.787 ( 4.427 2.244 0.000) 4.963 9.907 ( -7.364 3.956 0.000) 8.359 10.144 ( 4.686 -6.332 0.000) 7.878 10.191 ( 2.521 -6.817 0.000) 7.268 10.337 ( -4.766 -6.469 0.000) 8.035 10.339 ( -0.347 1.336 0.000) 1.381 10.529 ( 0.790 8.018 0.000) 8.057 10.570 ( -5.109 2.143 0.000) 5.540 11.013 ( 11.832 12.420 0.000) 17.154 11.195 ( 10.789 8.664 0.000) 13.837 11.235 ( -11.585 9.564 0.000) 15.022 11.437 ( -13.211 12.405 0.000) 18.122 11.613 ( 3.578 -6.328 0.000) 7.269 11.702 ( -5.530 -10.848 0.000) 12.176 12.140 ( 3.145 2.343 0.000) 3.922 12.175 ( -0.721 2.896 0.000) 2.985 12.219 ( 3.869 5.661 0.000) 6.857 12.297 ( -2.893 5.114 0.000) 5.875 12.596 ( 2.749 4.213 0.000) 5.031 12.687 ( -6.087 0.886 0.000) 6.151 13.218 ( 3.581 -7.106 0.000) 7.957 13.258 ( -0.689 -8.973 0.000) 9.000 14.434 ( 7.457 -8.676 0.000) 11.440 14.469 ( 3.317 -9.400 0.000) 9.968 14.495 ( -1.882 -8.181 0.000) 8.394 14.601 ( -7.215 -11.055 0.000) 13.201 15.544 ( 0.473 7.035 0.000) 7.051 15.553 ( -0.391 6.729 0.000) 6.741 15.827 ( 0.399 1.397 0.000) 1.453 15.830 ( 0.131 1.490 0.000) 1.496 15.896 ( 16.333 8.299 0.000) 18.321 16.227 ( -14.785 1.733 0.000) 14.886 16.267 ( 2.657 3.144 0.000) 4.117 16.337 ( -7.159 2.267 0.000) 7.509 17.812 ( 1.582 17.322 0.000) 17.394 17.848 ( -2.160 16.813 0.000) 16.951 18.865 ( 1.056 -16.512 0.000) 16.546 18.873 ( -0.014 -17.597 0.000) 17.597 21.167 ( 4.461 1.973 0.000) 4.878 21.264 ( -5.444 1.592 0.000) 5.672 21.313 ( 5.438 -1.411 0.000) 5.618 21.417 ( -5.195 -1.313 0.000) 5.358 23.442 ( -0.059 -4.859 0.000) 4.859 23.444 ( -0.364 -2.394 0.000) 2.421 23.633 ( 1.630 -9.572 0.000) 9.710 23.639 ( 1.026 -12.155 0.000) 12.198 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.000 1.127 0.000) 1.127 2.741 ( 0.000 -5.754 0.000) 5.754 2.929 ( 0.000 3.201 0.000) 3.201 2.966 ( 0.000 -0.300 0.000) 0.300 3.047 ( 0.000 7.134 0.000) 7.134 3.115 ( 0.000 0.749 0.000) 0.749 3.369 ( 0.000 3.070 0.000) 3.070 3.377 ( 0.000 6.426 0.000) 6.426 3.426 ( 0.000 7.226 0.000) 7.226 3.518 ( 0.000 2.143 0.000) 2.143 3.570 ( 0.000 0.532 0.000) 0.532 3.586 ( 0.000 -8.063 0.000) 8.063 3.651 ( 0.000 3.152 0.000) 3.152 3.714 ( 0.000 -2.536 0.000) 2.536 3.795 ( 0.000 6.386 0.000) 6.386 3.958 ( 0.000 -8.660 0.000) 8.660 4.477 ( 0.000 4.248 0.000) 4.248 4.529 ( 0.000 -0.518 0.000) 0.518 4.790 ( 0.000 9.980 0.000) 9.980 4.965 ( 0.000 -6.353 0.000) 6.353 5.046 ( 0.000 3.935 0.000) 3.935 5.065 ( 0.000 2.489 0.000) 2.489 5.296 ( 0.000 3.120 0.000) 3.120 5.327 ( 0.000 -0.202 0.000) 0.202 5.879 ( 0.000 2.679 0.000) 2.679 5.888 ( 0.000 1.399 0.000) 1.399 5.914 ( 0.000 7.326 0.000) 7.326 6.003 ( 0.000 -1.393 0.000) 1.393 7.044 ( 0.000 12.608 0.000) 12.608 7.158 ( 0.000 0.294 0.000) 0.294 7.240 ( 0.000 6.942 0.000) 6.942 7.293 ( 0.000 9.987 0.000) 9.987 7.295 ( 0.000 2.243 0.000) 2.243 7.583 ( 0.000 -13.579 0.000) 13.579 7.740 ( 0.000 8.928 0.000) 8.928 7.745 ( 0.000 2.974 0.000) 2.974 7.921 ( 0.000 6.310 0.000) 6.310 8.215 ( 0.000 8.326 0.000) 8.326 8.307 ( 0.000 -23.927 0.000) 23.927 8.378 ( 0.000 -7.169 0.000) 7.169 8.966 ( 0.000 5.425 0.000) 5.425 8.988 ( 0.000 1.376 0.000) 1.376 9.079 ( 0.000 9.774 0.000) 9.774 9.134 ( 0.000 16.037 0.000) 16.037 9.335 ( 0.000 1.020 0.000) 1.020 9.366 ( 0.000 -12.310 0.000) 12.310 9.449 ( 0.000 -1.038 0.000) 1.038 9.534 ( 0.000 0.366 0.000) 0.366 9.578 ( 0.000 -10.042 0.000) 10.042 9.602 ( 0.000 -0.016 0.000) 0.016 9.986 ( 0.000 6.478 0.000) 6.478 10.057 ( 0.000 -0.117 0.000) 0.117 10.172 ( 0.000 0.716 0.000) 0.716 10.290 ( 0.000 -9.873 0.000) 9.873 10.316 ( 0.000 9.683 0.000) 9.683 10.466 ( 0.000 0.751 0.000) 0.751 10.659 ( 0.000 12.657 0.000) 12.657 10.685 ( 0.000 10.907 0.000) 10.907 10.870 ( 0.000 -2.026 0.000) 2.026 11.101 ( 0.000 -22.406 0.000) 22.406 11.186 ( 0.000 9.698 0.000) 9.698 11.430 ( 0.000 -17.402 0.000) 17.402 11.797 ( 0.000 8.649 0.000) 8.649 11.920 ( 0.000 -0.511 0.000) 0.511 12.164 ( 0.000 6.728 0.000) 6.728 12.232 ( 0.000 1.949 0.000) 1.949 12.307 ( 0.000 6.189 0.000) 6.189 12.378 ( 0.000 1.826 0.000) 1.826 12.780 ( 0.000 8.872 0.000) 8.872 12.886 ( 0.000 3.071 0.000) 3.071 12.986 ( 0.000 -4.979 0.000) 4.979 13.011 ( 0.000 -12.200 0.000) 12.200 14.146 ( 0.000 0.286 0.000) 0.286 14.226 ( 0.000 -7.337 0.000) 7.337 14.457 ( 0.000 0.023 0.000) 0.023 14.536 ( 0.000 -7.434 0.000) 7.434 15.672 ( 0.000 3.596 0.000) 3.596 15.694 ( 0.000 7.301 0.000) 7.301 15.707 ( 0.000 0.599 0.000) 0.599 15.807 ( 0.000 -3.198 0.000) 3.198 15.998 ( 0.000 12.665 0.000) 12.665 16.188 ( 0.000 -5.060 0.000) 5.060 16.449 ( 0.000 4.452 0.000) 4.452 16.550 ( 0.000 -6.334 0.000) 6.334 18.143 ( 0.000 17.778 0.000) 17.778 18.216 ( 0.000 15.075 0.000) 15.075 18.504 ( 0.000 -17.565 0.000) 17.565 18.524 ( 0.000 -14.798 0.000) 14.798 21.112 ( 0.000 1.471 0.000) 1.471 21.148 ( 0.000 -2.022 0.000) 2.022 21.404 ( 0.000 1.354 0.000) 1.354 21.464 ( 0.000 -4.098 0.000) 4.098 23.352 ( 0.000 -1.742 0.000) 1.742 23.389 ( 0.000 -5.377 0.000) 5.377 23.465 ( 0.000 0.344 0.000) 0.344 23.491 ( 0.000 -2.061 0.000) 2.061 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 4.045 5.275 0.000) 6.648 2.833 ( 7.521 -7.596 0.000) 10.690 2.930 ( -0.018 3.276 0.000) 3.276 2.962 ( -0.329 0.210 0.000) 0.390 3.048 ( 0.379 7.153 0.000) 7.163 3.117 ( 0.721 0.729 0.000) 1.025 3.324 ( -4.649 10.292 0.000) 11.293 3.400 ( 1.597 2.712 0.000) 3.147 3.427 ( 0.362 5.552 0.000) 5.564 3.479 ( -3.981 -0.812 0.000) 4.063 3.526 ( -3.731 -1.083 0.000) 3.885 3.552 ( -2.822 -5.802 0.000) 6.452 3.709 ( 5.280 2.399 0.000) 5.800 3.774 ( 5.224 -3.634 0.000) 6.363 3.808 ( 1.261 5.663 0.000) 5.802 3.954 ( -0.440 -8.116 0.000) 8.128 4.439 ( -2.962 4.300 0.000) 5.222 4.486 ( -3.784 -0.120 0.000) 3.786 4.639 ( -10.448 8.909 0.000) 13.731 4.784 ( -12.194 -4.974 0.000) 13.169 5.207 ( 12.252 4.998 0.000) 13.232 5.245 ( 11.460 1.652 0.000) 11.578 5.361 ( 6.123 2.908 0.000) 6.778 5.388 ( 5.609 0.101 0.000) 5.610 5.827 ( -4.641 3.141 0.000) 5.604 5.860 ( -3.211 0.283 0.000) 3.223 5.860 ( -5.415 7.345 0.000) 9.125 5.951 ( -5.283 -1.416 0.000) 5.470 7.102 ( 4.868 12.942 0.000) 13.828 7.211 ( 4.783 0.634 0.000) 4.825 7.247 ( 0.702 4.915 0.000) 4.965 7.265 ( -2.686 3.529 0.000) 4.435 7.306 ( 2.046 7.970 0.000) 8.228 7.577 ( 0.223 -13.093 0.000) 13.095 7.725 ( -2.082 4.873 0.000) 5.299 7.775 ( 1.508 6.575 0.000) 6.746 7.896 ( -1.655 7.462 0.000) 7.643 8.139 ( -5.958 12.384 0.000) 13.742 8.311 ( 0.729 -24.370 0.000) 24.381 8.420 ( 1.929 -14.183 0.000) 14.314 8.960 ( 0.691 8.777 0.000) 8.805 9.036 ( 3.665 3.514 0.000) 5.077 9.103 ( -2.740 15.080 0.000) 15.327 9.159 ( 7.813 7.176 0.000) 10.608 9.294 ( -3.854 -0.792 0.000) 3.934 9.406 ( 3.867 -11.354 0.000) 11.995 9.481 ( 2.429 1.555 0.000) 2.884 9.538 ( 0.570 -1.489 0.000) 1.595 9.598 ( 0.226 0.745 0.000) 0.778 9.633 ( 4.718 -8.356 0.000) 9.596 9.919 ( -6.335 6.278 0.000) 8.919 10.019 ( -4.615 -3.103 0.000) 5.561 10.148 ( -0.905 2.683 0.000) 2.831 10.263 ( -2.467 -8.367 0.000) 8.723 10.267 ( -4.281 10.248 0.000) 11.106 10.424 ( -4.583 -2.756 0.000) 5.348 10.699 ( 3.193 13.430 0.000) 13.804 10.700 ( 1.489 13.268 0.000) 13.351 10.943 ( 6.470 -4.119 0.000) 7.670 11.108 ( 0.530 -21.789 0.000) 21.796 11.227 ( 4.954 8.850 0.000) 10.142 11.427 ( 0.096 -14.718 0.000) 14.718 11.730 ( -6.598 8.556 0.000) 10.805 11.841 ( -8.043 0.189 0.000) 8.045 12.180 ( 1.694 6.244 0.000) 6.470 12.247 ( 1.660 1.255 0.000) 2.081 12.298 ( -0.969 6.172 0.000) 6.247 12.380 ( -0.203 0.254 0.000) 0.325 12.769 ( -0.708 10.540 0.000) 10.564 12.856 ( -2.562 5.831 0.000) 6.369 13.007 ( 1.697 -7.424 0.000) 7.615 13.021 ( 0.866 -12.618 0.000) 12.648 14.195 ( 4.774 -0.954 0.000) 4.869 14.252 ( 2.623 -6.387 0.000) 6.905 14.437 ( -2.023 -0.492 0.000) 2.082 14.506 ( -3.065 -6.997 0.000) 7.639 15.672 ( 0.116 4.174 0.000) 4.176 15.691 ( -0.313 7.076 0.000) 7.083 15.727 ( 1.767 -1.114 0.000) 2.089 15.805 ( -0.350 -3.550 0.000) 3.567 16.033 ( 3.810 12.541 0.000) 13.107 16.212 ( 2.502 -4.490 0.000) 5.140 16.420 ( -3.040 3.432 0.000) 4.584 16.484 ( -6.447 -3.538 0.000) 7.354 18.150 ( 0.672 17.654 0.000) 17.667 18.209 ( -0.775 15.586 0.000) 15.605 18.509 ( 0.415 -17.464 0.000) 17.469 18.527 ( 0.164 -15.413 0.000) 15.413 21.136 ( 2.466 1.729 0.000) 3.012 21.179 ( 3.115 -2.442 0.000) 3.958 21.372 ( -3.213 1.565 0.000) 3.574 21.434 ( -3.128 -4.046 0.000) 5.114 23.363 ( 1.136 -0.976 0.000) 1.498 23.411 ( 2.089 -5.797 0.000) 6.162 23.453 ( -1.083 0.774 0.000) 1.332 23.494 ( 0.074 -3.199 0.000) 3.199 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 7.082 8.343 0.000) 10.944 2.912 ( -2.639 4.995 0.000) 5.649 2.946 ( 2.737 -3.891 0.000) 4.757 2.959 ( 0.114 0.114 0.000) 0.161 3.078 ( 3.329 8.232 0.000) 8.880 3.183 ( 7.131 -1.503 0.000) 7.288 3.191 ( -8.049 12.222 0.000) 14.635 3.350 ( -8.791 -0.807 0.000) 8.828 3.438 ( 1.890 -0.714 0.000) 2.020 3.442 ( 1.019 1.363 0.000) 1.702 3.478 ( -1.210 -3.113 0.000) 3.340 3.497 ( -2.677 -3.295 0.000) 4.246 3.808 ( 3.943 2.092 0.000) 4.464 3.833 ( 0.854 3.668 0.000) 3.766 3.877 ( 4.730 -4.732 0.000) 6.691 3.937 ( -1.660 -6.457 0.000) 6.667 4.415 ( 0.782 3.193 0.000) 3.288 4.435 ( 0.672 1.610 0.000) 1.745 4.471 ( -6.276 6.338 0.000) 8.920 4.559 ( -10.538 -2.062 0.000) 10.738 5.416 ( 8.696 5.387 0.000) 10.229 5.464 ( 10.075 1.676 0.000) 10.214 5.473 ( 3.359 3.714 0.000) 5.008 5.505 ( 5.603 0.139 0.000) 5.605 5.723 ( -5.331 4.249 0.000) 6.817 5.732 ( -6.667 7.186 0.000) 9.803 5.790 ( -2.813 -1.572 0.000) 3.222 5.825 ( -6.470 -1.767 0.000) 6.707 7.171 ( 2.198 10.856 0.000) 11.076 7.211 ( -2.483 6.857 0.000) 7.293 7.269 ( 1.308 0.851 0.000) 1.561 7.281 ( 0.957 -1.054 0.000) 1.424 7.413 ( 9.526 7.825 0.000) 12.328 7.608 ( -9.502 6.524 0.000) 11.526 7.635 ( 6.136 -10.215 0.000) 11.916 7.758 ( -4.780 -4.506 0.000) 6.569 7.915 ( 4.287 16.123 0.000) 16.683 8.021 ( -6.205 16.272 0.000) 17.415 8.349 ( 3.284 -23.610 0.000) 23.837 8.413 ( -2.516 -21.003 0.000) 21.153 8.993 ( 2.497 12.591 0.000) 12.836 9.046 ( -3.044 13.912 0.000) 14.241 9.117 ( 4.704 1.961 0.000) 5.096 9.209 ( -4.846 -0.359 0.000) 4.859 9.337 ( 9.649 5.048 0.000) 10.890 9.475 ( -3.833 2.125 0.000) 4.382 9.486 ( 3.792 -7.326 0.000) 8.249 9.536 ( -1.613 -3.131 0.000) 3.522 9.650 ( 5.691 2.782 0.000) 6.334 9.747 ( 7.036 -6.054 0.000) 9.282 9.780 ( -7.533 4.907 0.000) 8.990 9.892 ( -7.832 -4.946 0.000) 9.263 10.169 ( 2.289 2.122 0.000) 3.121 10.195 ( -2.316 6.818 0.000) 7.201 10.222 ( -0.279 -3.946 0.000) 3.956 10.306 ( -6.888 -3.865 0.000) 7.899 10.731 ( 1.453 14.563 0.000) 14.635 10.741 ( 0.757 14.385 0.000) 14.405 11.059 ( 4.662 -10.738 0.000) 11.706 11.109 ( -0.860 -18.655 0.000) 18.675 11.389 ( 11.701 6.017 0.000) 13.157 11.458 ( 3.925 -5.578 0.000) 6.821 11.579 ( -8.228 5.153 0.000) 9.709 11.635 ( -12.873 2.391 0.000) 13.093 12.224 ( 2.617 5.464 0.000) 6.058 12.270 ( -2.035 5.684 0.000) 6.037 12.295 ( 3.157 -0.025 0.000) 3.157 12.354 ( -2.590 -1.048 0.000) 2.794 12.770 ( 1.074 11.991 0.000) 12.038 12.806 ( -2.468 9.908 0.000) 10.211 13.034 ( 0.815 -10.850 0.000) 10.881 13.036 ( 0.491 -12.632 0.000) 12.642 14.303 ( 5.632 -3.137 0.000) 6.447 14.319 ( 4.553 -4.509 0.000) 6.407 14.383 ( -3.500 -1.933 0.000) 3.998 14.424 ( -5.389 -5.699 0.000) 7.843 15.677 ( 0.325 5.196 0.000) 5.207 15.684 ( -0.383 6.310 0.000) 6.321 15.763 ( 1.855 -3.470 0.000) 3.935 15.792 ( -1.080 -4.049 0.000) 4.190 16.144 ( 7.689 10.146 0.000) 12.730 16.277 ( 4.176 -2.777 0.000) 5.015 16.309 ( -8.885 4.428 0.000) 9.927 16.364 ( -4.870 -0.500 0.000) 4.895 18.167 ( 1.113 17.260 0.000) 17.296 18.190 ( -1.162 16.535 0.000) 16.576 18.518 ( 0.552 -17.137 0.000) 17.146 18.527 ( -0.233 -16.457 0.000) 16.458 21.202 ( 4.382 2.030 0.000) 4.829 21.258 ( 4.898 -3.209 0.000) 5.855 21.293 ( -4.804 1.938 0.000) 5.180 21.354 ( -4.933 -3.787 0.000) 6.219 23.393 ( 1.853 0.210 0.000) 1.865 23.427 ( -1.657 0.879 0.000) 1.875 23.455 ( 2.174 -5.923 0.000) 6.309 23.486 ( -1.016 -4.944 0.000) 5.047 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 0.000 28.935) 28.935 0.791 ( 0.000 0.000 34.570) 34.570 1.249 ( 0.000 0.000 53.002) 53.002 1.861 ( 0.000 0.000 -22.488) 22.488 2.078 ( 0.000 0.000 -22.950) 22.950 2.146 ( 0.000 0.000 4.204) 4.204 2.370 ( 0.000 0.000 4.535) 4.535 2.622 ( 0.000 0.000 5.446) 5.446 2.742 ( 0.000 0.000 2.988) 2.988 2.795 ( 0.000 0.000 7.439) 7.439 2.888 ( 0.000 0.000 -9.878) 9.878 3.011 ( 0.000 0.000 -1.815) 1.815 3.207 ( 0.000 0.000 -3.632) 3.632 3.257 ( 0.000 0.000 2.266) 2.266 3.281 ( 0.000 0.000 -11.281) 11.281 3.300 ( 0.000 0.000 9.180) 9.180 3.327 ( 0.000 0.000 -0.719) 0.719 3.602 ( 0.000 0.000 10.989) 10.989 3.613 ( 0.000 0.000 -10.042) 10.042 4.149 ( 0.000 0.000 -6.611) 6.611 4.402 ( 0.000 0.000 10.391) 10.391 4.585 ( 0.000 0.000 0.573) 0.573 4.624 ( 0.000 0.000 -0.858) 0.858 4.774 ( 0.000 0.000 2.011) 2.011 4.806 ( 0.000 0.000 -6.837) 6.837 4.944 ( 0.000 0.000 1.231) 1.231 4.996 ( 0.000 0.000 -0.483) 0.483 5.004 ( 0.000 0.000 -0.948) 0.948 5.634 ( 0.000 0.000 -2.248) 2.248 5.645 ( 0.000 0.000 -6.236) 6.236 6.257 ( 0.000 0.000 1.828) 1.828 6.278 ( 0.000 0.000 -1.977) 1.977 6.695 ( 0.000 0.000 1.958) 1.958 6.932 ( 0.000 0.000 -3.887) 3.887 7.058 ( 0.000 0.000 0.344) 0.344 7.104 ( 0.000 0.000 -1.685) 1.685 7.275 ( 0.000 0.000 -1.135) 1.135 7.381 ( 0.000 0.000 -12.854) 12.854 7.781 ( 0.000 0.000 5.390) 5.390 7.856 ( 0.000 0.000 6.928) 6.928 8.091 ( 0.000 0.000 -0.354) 0.354 8.165 ( 0.000 0.000 1.440) 1.440 8.218 ( 0.000 0.000 -9.425) 9.425 8.236 ( 0.000 0.000 -1.103) 1.103 8.737 ( 0.000 0.000 5.196) 5.196 8.866 ( 0.000 0.000 17.620) 17.620 8.979 ( 0.000 0.000 -2.966) 2.966 9.369 ( 0.000 0.000 -4.935) 4.935 9.433 ( 0.000 0.000 -2.129) 2.129 9.434 ( 0.000 0.000 -2.246) 2.246 9.614 ( 0.000 0.000 6.504) 6.504 9.730 ( 0.000 0.000 4.330) 4.330 9.799 ( 0.000 0.000 -1.217) 1.217 10.024 ( 0.000 0.000 3.114) 3.114 10.189 ( 0.000 0.000 -12.278) 12.278 10.197 ( 0.000 0.000 -4.609) 4.609 10.574 ( 0.000 0.000 1.700) 1.700 10.594 ( 0.000 0.000 14.485) 14.485 10.728 ( 0.000 0.000 -4.058) 4.058 11.109 ( 0.000 0.000 0.468) 0.468 11.189 ( 0.000 0.000 -0.904) 0.904 11.374 ( 0.000 0.000 10.670) 10.670 11.456 ( 0.000 0.000 -7.496) 7.496 11.937 ( 0.000 0.000 -12.374) 12.374 11.953 ( 0.000 0.000 11.918) 11.918 12.826 ( 0.000 0.000 12.518) 12.518 12.852 ( 0.000 0.000 -26.248) 26.248 12.912 ( 0.000 0.000 12.024) 12.024 13.123 ( 0.000 0.000 0.664) 0.664 13.249 ( 0.000 0.000 -4.547) 4.547 13.438 ( 0.000 0.000 -9.890) 9.890 13.480 ( 0.000 0.000 -8.802) 8.802 13.565 ( 0.000 0.000 5.603) 5.603 13.789 ( 0.000 0.000 -4.151) 4.151 14.308 ( 0.000 0.000 5.523) 5.523 14.550 ( 0.000 0.000 -3.288) 3.288 14.785 ( 0.000 0.000 0.610) 0.610 14.848 ( 0.000 0.000 -2.731) 2.731 15.124 ( 0.000 0.000 14.549) 14.549 15.643 ( 0.000 0.000 -6.315) 6.315 17.031 ( 0.000 0.000 26.983) 26.983 17.048 ( 0.000 0.000 2.356) 2.356 17.059 ( 0.000 0.000 2.579) 2.579 17.173 ( 0.000 0.000 -2.104) 2.104 17.191 ( 0.000 0.000 -2.160) 2.160 18.158 ( 0.000 0.000 -14.625) 14.625 19.547 ( 0.000 0.000 -0.566) 0.566 19.592 ( 0.000 0.000 -1.783) 1.783 20.265 ( 0.000 0.000 3.468) 3.468 20.562 ( 0.000 0.000 -9.189) 9.189 21.054 ( 0.000 0.000 7.585) 7.585 21.276 ( 0.000 0.000 -2.284) 2.284 23.620 ( 0.000 0.000 5.664) 5.664 24.056 ( 0.000 0.000 -12.237) 12.237 24.882 ( 0.000 0.000 13.633) 13.633 25.414 ( 0.000 0.000 -7.649) 7.649 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 15.512 0.000 18.600) 24.219 0.994 ( 19.037 0.000 26.417) 32.562 1.586 ( 29.744 0.000 41.950) 51.425 1.828 ( -2.727 0.000 -22.914) 23.076 2.091 ( -1.063 0.000 -17.281) 17.314 2.147 ( -1.951 0.000 3.330) 3.859 2.222 ( -10.871 0.000 4.823) 11.893 2.454 ( -11.498 0.000 3.259) 11.951 2.728 ( -2.109 0.000 3.266) 3.888 2.781 ( -5.241 0.000 -2.471) 5.794 2.789 ( -7.512 0.000 -0.828) 7.558 2.967 ( -1.290 0.000 4.086) 4.285 3.141 ( -3.817 0.000 1.641) 4.155 3.231 ( 4.443 0.000 -5.569) 7.125 3.354 ( 5.780 0.000 -0.783) 5.833 3.388 ( 4.715 0.000 -1.020) 4.824 3.460 ( -3.313 0.000 4.038) 5.223 3.603 ( 7.753 0.000 5.827) 9.699 3.751 ( 12.065 0.000 -10.692) 16.121 4.070 ( -16.074 0.000 -4.374) 16.659 4.374 ( 4.659 0.000 7.060) 8.459 4.577 ( -7.866 0.000 3.019) 8.426 4.625 ( 3.998 0.000 0.592) 4.042 4.665 ( 4.098 0.000 -0.867) 4.189 4.861 ( 0.121 0.000 -5.773) 5.774 4.915 ( -2.942 0.000 1.196) 3.176 4.973 ( -3.217 0.000 -0.896) 3.339 5.059 ( 1.087 0.000 -4.022) 4.166 5.513 ( -3.425 0.000 0.970) 3.560 5.846 ( 6.738 0.000 -11.373) 13.220 6.031 ( -10.151 0.000 11.208) 15.121 6.243 ( -3.150 0.000 -1.639) 3.551 6.797 ( 8.908 0.000 2.637) 9.290 7.046 ( 0.792 0.000 -1.749) 1.920 7.122 ( 3.491 0.000 -1.073) 3.652 7.238 ( 11.794 0.000 -4.633) 12.671 7.382 ( 5.830 0.000 -6.732) 8.905 7.469 ( 8.678 0.000 -11.346) 14.284 7.661 ( -6.080 0.000 9.691) 11.441 7.863 ( 2.000 0.000 0.674) 2.111 8.116 ( 2.226 0.000 -1.465) 2.664 8.171 ( 0.658 0.000 1.253) 1.415 8.228 ( -0.783 0.000 -0.752) 1.085 8.266 ( 1.456 0.000 -9.403) 9.515 8.782 ( 4.622 0.000 4.754) 6.631 8.952 ( 9.030 0.000 3.114) 9.552 8.995 ( 1.388 0.000 -2.429) 2.798 9.326 ( -4.319 0.000 -4.662) 6.355 9.394 ( -2.749 0.000 -0.637) 2.822 9.459 ( 0.186 0.000 -2.443) 2.450 9.482 ( -8.155 0.000 4.557) 9.342 9.661 ( -4.572 0.000 -0.018) 4.573 9.796 ( -18.663 0.000 4.793) 19.268 9.946 ( 9.363 0.000 1.332) 9.457 10.095 ( -11.127 0.000 -8.761) 14.162 10.207 ( 1.078 0.000 -8.797) 8.863 10.557 ( 0.156 0.000 15.399) 15.400 10.579 ( 0.694 0.000 0.431) 0.817 10.711 ( -1.804 0.000 -4.069) 4.451 11.081 ( -9.618 0.000 -3.739) 10.319 11.135 ( 2.721 0.000 0.325) 2.740 11.403 ( -4.087 0.000 -2.659) 4.875 11.522 ( 13.419 0.000 14.999) 20.126 11.917 ( 4.539 0.000 3.912) 5.992 12.349 ( 21.730 0.000 -12.611) 25.124 12.834 ( 0.856 0.000 12.460) 12.489 12.851 ( -0.640 0.000 -22.640) 22.649 12.904 ( -0.817 0.000 12.059) 12.087 13.097 ( -1.709 0.000 -3.271) 3.691 13.211 ( -3.583 0.000 -6.527) 7.446 13.442 ( 0.424 0.000 -9.777) 9.786 13.476 ( -0.403 0.000 -8.898) 8.907 13.604 ( 3.909 0.000 6.362) 7.467 13.863 ( 4.939 0.000 -1.857) 5.277 14.223 ( -6.448 0.000 13.735) 15.173 14.494 ( -3.682 0.000 -1.599) 4.015 14.769 ( -1.951 0.000 -0.468) 2.007 14.830 ( -0.976 0.000 -4.067) 4.182 15.135 ( 2.425 0.000 12.581) 12.813 15.567 ( -7.737 0.000 -3.547) 8.511 17.048 ( 0.097 0.000 2.373) 2.375 17.056 ( 2.714 0.000 28.747) 28.875 17.058 ( -0.126 0.000 2.550) 2.554 17.175 ( 0.191 0.000 -2.101) 2.110 17.189 ( -0.157 0.000 -2.149) 2.155 17.809 ( -29.029 0.000 27.231) 39.802 19.483 ( -4.400 0.000 -2.068) 4.862 19.618 ( 1.838 0.000 -3.383) 3.850 20.063 ( -19.659 0.000 15.181) 24.838 20.406 ( -21.533 0.000 12.907) 25.105 20.508 ( -4.083 0.000 -5.916) 7.188 20.899 ( -19.908 0.000 -1.946) 20.003 23.800 ( 15.803 0.000 6.998) 17.283 24.422 ( 4.074 0.000 -16.960) 17.443 25.210 ( 23.159 0.000 -5.920) 23.904 25.522 ( 8.855 0.000 -12.335) 15.184 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 24.259 0.000 3.285) 24.480 1.423 ( 24.411 0.000 15.878) 29.121 1.621 ( -19.870 0.000 -9.135) 21.869 1.870 ( -20.951 0.000 5.911) 21.769 1.987 ( 3.839 0.000 1.167) 4.013 2.058 ( -3.722 0.000 2.242) 4.345 2.413 ( 35.368 0.000 18.627) 39.973 2.418 ( 7.087 0.000 -12.719) 14.560 2.606 ( -11.035 0.000 -11.573) 15.991 2.672 ( -0.599 0.000 5.114) 5.149 2.705 ( -2.887 0.000 7.615) 8.144 2.995 ( 3.180 0.000 7.475) 8.124 3.066 ( -4.019 0.000 5.098) 6.492 3.141 ( -30.704 0.000 13.687) 33.617 3.379 ( 7.299 0.000 -3.163) 7.955 3.439 ( 2.815 0.000 -1.168) 3.048 3.453 ( 1.465 0.000 -1.303) 1.961 3.548 ( -11.124 0.000 -5.180) 12.271 3.919 ( 8.425 0.000 -7.169) 11.062 3.987 ( 4.780 0.000 -2.234) 5.276 4.502 ( 1.089 0.000 0.359) 1.146 4.540 ( 4.580 0.000 -3.056) 5.506 4.722 ( 5.739 0.000 0.614) 5.772 4.763 ( 5.412 0.000 -1.027) 5.509 4.819 ( 0.487 0.000 -4.930) 4.954 4.839 ( -4.455 0.000 1.188) 4.610 4.888 ( -5.490 0.000 -0.704) 5.535 4.971 ( -9.522 0.000 -3.772) 10.242 5.542 ( 6.342 0.000 4.686) 7.886 5.717 ( -11.103 0.000 3.600) 11.672 6.089 ( 6.706 0.000 -3.104) 7.389 6.182 ( -3.419 0.000 -2.517) 4.246 6.959 ( 7.278 0.000 0.561) 7.299 7.049 ( -1.486 0.000 -1.699) 2.257 7.148 ( 1.623 0.000 1.413) 2.151 7.261 ( -9.223 0.000 -2.496) 9.555 7.499 ( 13.800 0.000 -0.449) 13.808 7.658 ( 9.603 0.000 -1.833) 9.777 7.700 ( -1.343 0.000 -0.619) 1.479 7.812 ( -5.746 0.000 2.492) 6.264 8.170 ( 5.398 0.000 -2.187) 5.824 8.188 ( 1.065 0.000 0.732) 1.292 8.209 ( -1.121 0.000 -0.007) 1.121 8.284 ( -1.551 0.000 -2.328) 2.797 8.897 ( 6.822 0.000 3.332) 7.593 8.998 ( -2.437 0.000 0.003) 2.437 9.115 ( 5.142 0.000 -7.378) 8.993 9.213 ( -7.146 0.000 -4.301) 8.340 9.330 ( -3.153 0.000 2.915) 4.294 9.340 ( -3.511 0.000 1.923) 4.003 9.505 ( 2.836 0.000 -3.774) 4.721 9.573 ( -4.297 0.000 -3.196) 5.355 9.577 ( 2.250 0.000 -4.839) 5.336 9.809 ( -16.801 0.000 -13.648) 21.646 10.104 ( 6.886 0.000 0.397) 6.897 10.197 ( -2.646 0.000 -2.967) 3.976 10.609 ( 2.469 0.000 -2.345) 3.405 10.654 ( 9.204 0.000 11.008) 14.349 10.664 ( -2.959 0.000 -3.820) 4.832 10.866 ( -12.069 0.000 2.195) 12.267 11.218 ( 5.247 0.000 0.458) 5.267 11.318 ( -4.960 0.000 -1.050) 5.070 11.782 ( 12.415 0.000 16.728) 20.831 11.945 ( -3.581 0.000 11.583) 12.123 12.650 ( 10.718 0.000 -14.405) 17.955 12.799 ( -5.289 0.000 -16.346) 17.180 12.856 ( 1.362 0.000 12.319) 12.394 12.882 ( -1.339 0.000 12.165) 12.238 13.093 ( 1.414 0.000 -9.443) 9.548 13.140 ( -3.326 0.000 -9.174) 9.759 13.453 ( 0.675 0.000 -9.492) 9.516 13.466 ( -0.662 0.000 -9.158) 9.181 13.702 ( 6.138 0.000 8.751) 10.689 13.830 ( -6.847 0.000 11.440) 13.333 14.263 ( 9.304 0.000 0.109) 9.304 14.419 ( -5.586 0.000 -2.826) 6.260 14.749 ( 0.865 0.000 -2.784) 2.915 14.796 ( -2.915 0.000 -4.892) 5.695 15.222 ( 6.589 0.000 8.522) 10.772 15.384 ( -10.115 0.000 3.210) 10.612 17.051 ( 0.170 0.000 2.419) 2.425 17.055 ( -0.188 0.000 2.485) 2.492 17.146 ( 7.280 0.000 34.229) 34.995 17.179 ( 0.290 0.000 -2.106) 2.125 17.185 ( -0.269 0.000 -2.125) 2.142 17.361 ( -16.491 0.000 41.239) 44.414 19.497 ( 5.983 0.000 -11.555) 13.012 19.616 ( -3.684 0.000 -9.018) 9.741 19.914 ( 2.417 0.000 6.107) 6.568 20.093 ( -15.030 0.000 1.208) 15.079 20.481 ( 1.926 0.000 -2.917) 3.496 20.594 ( -10.593 0.000 -4.490) 11.505 24.109 ( 15.008 0.000 4.197) 15.584 24.342 ( -9.222 0.000 -3.109) 9.732 25.507 ( 10.049 0.000 -6.125) 11.768 25.613 ( -0.679 0.000 -10.093) 10.116 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 17.932 19.887) 26.778 0.936 ( 0.000 24.336 18.764) 30.730 1.840 ( 0.000 41.272 38.750) 56.612 1.975 ( 0.000 10.800 -21.555) 24.109 1.982 ( 0.000 -2.552 -15.572) 15.779 2.253 ( 0.000 5.156 -3.986) 6.517 2.396 ( 0.000 3.426 0.981) 3.564 2.757 ( 0.000 3.838 5.519) 6.722 2.791 ( 0.000 13.773 3.455) 14.200 2.855 ( 0.000 4.752 8.051) 9.349 2.972 ( 0.000 7.467 -6.327) 9.787 3.110 ( 0.000 8.214 -2.511) 8.589 3.110 ( 0.000 -2.891 3.033) 4.191 3.254 ( 0.000 -5.234 7.957) 9.524 3.297 ( 0.000 5.559 -3.345) 6.488 3.406 ( 0.000 10.182 -1.785) 10.337 3.500 ( 0.000 11.623 2.566) 11.903 3.673 ( 0.000 8.830 4.163) 9.763 3.694 ( 0.000 7.845 -12.087) 14.410 4.048 ( 0.000 -3.736 -6.685) 7.658 4.393 ( 0.000 2.111 10.678) 10.885 4.694 ( 0.000 2.483 3.584) 4.360 4.800 ( 0.000 -0.163 -7.156) 7.158 4.940 ( 0.000 11.295 -1.210) 11.360 5.020 ( 0.000 17.219 1.082) 17.253 5.135 ( 0.000 30.407 -3.924) 30.659 5.272 ( 0.000 28.424 0.351) 28.426 5.335 ( 0.000 29.280 -0.857) 29.293 5.651 ( 0.000 3.148 -0.405) 3.174 5.689 ( 0.000 5.592 -4.655) 7.276 6.077 ( 0.000 -4.877 9.179) 10.395 6.253 ( 0.000 -0.812 -3.466) 3.560 6.712 ( 0.000 1.564 1.793) 2.379 6.923 ( 0.000 -0.571 -4.211) 4.250 7.074 ( 0.000 1.515 0.034) 1.516 7.110 ( 0.000 -0.100 -1.339) 1.343 7.214 ( 0.000 -0.237 -3.080) 3.089 7.333 ( 0.000 -3.923 -11.955) 12.582 7.620 ( 0.000 0.811 12.028) 12.055 7.842 ( 0.000 -0.229 6.776) 6.780 8.016 ( 0.000 -5.169 -1.470) 5.374 8.185 ( 0.000 -0.263 -5.626) 5.632 8.429 ( 0.000 13.251 -3.131) 13.616 8.615 ( 0.000 14.218 -11.750) 18.445 8.771 ( 0.000 -4.857 14.644) 15.428 8.965 ( 0.000 13.168 4.362) 13.871 9.133 ( 0.000 7.150 1.072) 7.229 9.188 ( 0.000 -7.559 -1.543) 7.715 9.479 ( 0.000 5.223 -1.655) 5.479 9.489 ( 0.000 6.609 -1.094) 6.699 9.587 ( 0.000 4.187 -0.814) 4.265 9.812 ( 0.000 8.634 4.970) 9.962 9.813 ( 0.000 0.316 5.011) 5.021 9.878 ( 0.000 -3.525 -10.344) 10.928 10.387 ( 0.000 9.045 3.287) 9.624 10.470 ( 0.000 -5.865 -2.496) 6.374 10.506 ( 0.000 -0.236 6.096) 6.100 10.941 ( 0.000 14.517 1.434) 14.587 11.088 ( 0.000 3.197 -5.778) 6.603 11.172 ( 0.000 -2.003 -0.082) 2.005 11.269 ( 0.000 33.230 -29.516) 44.445 11.430 ( 0.000 5.073 13.956) 14.849 11.538 ( 0.000 10.652 -10.782) 15.156 11.924 ( 0.000 -3.111 12.801) 13.173 12.237 ( 0.000 16.555 -24.110) 29.247 12.523 ( 0.000 -24.088 8.858) 25.665 12.580 ( 0.000 -22.476 6.590) 23.422 12.772 ( 0.000 -15.158 -15.389) 21.600 12.902 ( 0.000 -16.289 -14.645) 21.905 13.060 ( 0.000 -15.856 -14.789) 21.682 13.229 ( 0.000 2.808 3.639) 4.596 13.502 ( 0.000 -1.097 -4.419) 4.553 13.769 ( 0.000 9.596 -2.445) 9.902 13.870 ( 0.000 6.662 -3.690) 7.615 14.557 ( 0.000 19.944 7.369) 21.262 14.855 ( 0.000 0.280 -1.075) 1.111 14.882 ( 0.000 8.492 -0.227) 8.495 14.997 ( 0.000 28.174 -13.768) 31.358 15.178 ( 0.000 6.239 11.200) 12.821 15.609 ( 0.000 -3.096 -5.421) 6.243 16.781 ( 0.000 -17.245 4.220) 17.754 16.801 ( 0.000 -14.195 2.221) 14.368 16.936 ( 0.000 -18.396 -2.379) 18.549 16.969 ( 0.000 -18.736 -2.908) 18.960 17.214 ( 0.000 6.293 26.248) 26.992 18.381 ( 0.000 16.520 -16.143) 23.098 19.706 ( 0.000 -2.111 8.299) 8.564 19.722 ( 0.000 12.674 0.308) 12.678 20.394 ( 0.000 12.507 3.081) 12.881 20.608 ( 0.000 5.177 -6.281) 8.140 20.818 ( 0.000 -21.515 20.703) 29.858 21.011 ( 0.000 -3.094 3.786) 4.890 23.591 ( 0.000 -1.689 4.359) 4.675 23.990 ( 0.000 -6.059 -11.495) 12.994 24.769 ( 0.000 -10.583 12.438) 16.331 25.192 ( 0.000 -16.659 -2.379) 16.828 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 13.760 19.767 11.862) 26.848 1.090 ( 16.192 14.750 18.927) 28.947 1.880 ( -4.096 5.434 -19.368) 20.529 2.029 ( 15.161 28.986 26.360) 42.011 2.132 ( 7.567 8.785 -9.811) 15.189 2.215 ( -4.975 6.504 0.253) 8.192 2.284 ( -5.358 6.158 0.051) 8.163 2.544 ( -16.438 6.852 4.591) 18.391 2.749 ( -1.113 3.564 4.455) 5.813 2.816 ( -8.552 4.010 -1.174) 9.518 2.918 ( -5.593 10.632 0.500) 12.024 3.004 ( -0.541 3.807 4.187) 5.685 3.148 ( -1.138 2.951 2.632) 4.114 3.335 ( 4.629 3.434 2.593) 6.320 3.408 ( 4.163 8.260 -2.802) 9.665 3.417 ( 7.279 6.236 0.732) 9.613 3.567 ( 0.422 8.137 -1.666) 8.316 3.670 ( 3.039 6.431 5.498) 8.990 3.806 ( 8.112 5.832 -11.903) 15.540 4.003 ( -6.878 -1.339 -1.315) 7.130 4.393 ( 2.002 3.145 5.776) 6.874 4.592 ( -9.457 2.885 1.755) 10.042 4.775 ( 0.502 3.331 -4.397) 5.539 4.905 ( -1.313 4.941 -2.316) 5.613 5.046 ( 3.519 27.204 1.748) 27.486 5.202 ( 2.040 25.898 -3.903) 26.269 5.296 ( 2.114 28.620 -0.866) 28.711 5.336 ( -0.248 30.451 -1.221) 30.476 5.559 ( -4.598 5.952 1.086) 7.599 5.811 ( 4.220 -0.630 -7.268) 8.428 6.002 ( -3.793 -0.420 8.320) 9.154 6.210 ( -3.790 -2.001 -2.217) 4.825 6.800 ( 7.863 0.514 2.070) 8.147 7.017 ( 3.805 -4.016 -3.278) 6.431 7.095 ( 2.482 0.150 0.954) 2.664 7.189 ( 7.262 -4.135 -2.848) 8.829 7.292 ( 7.900 0.978 -2.579) 8.368 7.416 ( 8.364 -4.420 -10.906) 14.438 7.617 ( 0.238 0.250 8.865) 8.872 7.748 ( -5.046 -1.421 4.451) 6.877 8.014 ( -3.108 -4.889 1.079) 5.893 8.121 ( -6.488 -0.797 -5.637) 8.632 8.469 ( 4.563 15.692 -1.720) 16.432 8.641 ( 1.866 12.095 -4.371) 12.995 8.838 ( 6.853 -4.408 5.067) 9.595 8.994 ( 2.664 8.253 2.887) 9.140 9.138 ( 0.493 3.907 0.530) 3.973 9.179 ( -0.616 -1.521 -0.212) 1.654 9.436 ( -2.261 4.090 -1.154) 4.813 9.495 ( -3.324 3.604 -4.017) 6.338 9.608 ( 1.954 10.178 -0.825) 10.397 9.690 ( -9.637 5.213 -1.857) 11.112 9.794 ( -1.701 3.773 3.632) 5.507 9.925 ( 2.791 5.579 -2.334) 6.661 10.339 ( -3.546 6.751 0.248) 7.629 10.451 ( -4.332 -1.007 4.340) 6.214 10.490 ( 1.897 -5.428 0.006) 5.750 10.778 ( -10.660 9.039 -3.641) 14.443 10.947 ( -20.903 26.768 -11.984) 36.015 11.125 ( -7.082 8.477 -8.112) 13.705 11.176 ( 4.034 4.999 -1.591) 6.617 11.432 ( -5.857 3.322 -1.490) 6.897 11.653 ( 15.442 11.087 12.976) 23.016 11.969 ( 5.592 2.286 3.752) 7.112 12.450 ( 12.574 -1.993 -13.172) 18.319 12.518 ( -0.455 -24.111 7.734) 25.325 12.570 ( -0.132 -19.855 3.751) 20.207 12.781 ( 0.226 -18.433 -11.641) 21.802 12.921 ( 1.917 -11.789 -14.898) 19.094 13.063 ( -0.885 -12.409 -12.590) 17.700 13.189 ( -2.234 0.255 -0.326) 2.272 13.437 ( -5.842 -1.856 -6.326) 8.809 13.818 ( 5.312 9.459 0.061) 10.849 14.010 ( 11.823 9.808 -4.526) 16.015 14.485 ( -8.136 18.347 10.421) 22.615 14.793 ( -5.807 10.747 -2.255) 12.422 14.858 ( -2.076 8.246 -0.979) 8.560 14.947 ( -3.167 20.115 -7.346) 21.648 15.185 ( 2.096 4.836 11.706) 12.838 15.536 ( -7.298 -2.774 -2.468) 8.189 16.782 ( 0.088 -17.167 4.137) 17.659 16.798 ( -0.310 -14.689 2.434) 14.893 16.937 ( 0.143 -18.127 -2.003) 18.238 16.963 ( -0.505 -18.094 -2.242) 18.239 17.252 ( 3.937 6.851 27.027) 28.158 18.079 ( -27.173 17.243 18.883) 37.312 19.586 ( -6.190 -1.259 3.860) 7.403 19.773 ( 2.565 10.107 -0.547) 10.441 20.183 ( -15.296 15.894 8.169) 23.523 20.455 ( -14.882 6.294 3.927) 16.628 20.563 ( -2.888 6.686 -1.440) 7.424 20.874 ( -14.657 -0.735 -3.105) 15.000 23.741 ( 14.501 -4.938 6.600) 16.679 24.299 ( 7.828 -10.844 -16.097) 20.928 24.988 ( 21.426 -19.443 2.011) 29.003 25.265 ( 6.456 -18.451 -3.337) 19.830 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 19.803 14.890 1.721) 24.836 1.486 ( 22.779 7.489 12.895) 27.226 1.713 ( -15.424 8.287 -9.217) 19.787 1.915 ( -18.422 6.370 4.386) 19.979 2.151 ( -0.686 10.274 -0.381) 10.304 2.165 ( -5.390 9.530 -0.042) 10.949 2.413 ( 6.756 1.053 -10.657) 12.662 2.512 ( 8.041 7.912 3.355) 11.769 2.695 ( 0.662 5.867 8.371) 10.243 2.736 ( -0.451 6.515 4.691) 8.041 2.827 ( 4.385 14.788 5.541) 16.390 3.047 ( -1.997 4.936 9.624) 10.999 3.090 ( 1.317 7.277 2.841) 7.922 3.353 ( -16.403 14.168 6.944) 22.760 3.439 ( 5.299 6.016 1.004) 8.079 3.523 ( 2.914 7.627 -0.787) 8.203 3.546 ( -0.180 8.090 -0.744) 8.126 3.568 ( -9.472 2.982 -3.672) 10.587 3.913 ( 7.177 2.035 -4.399) 8.660 3.989 ( 1.803 1.930 -1.355) 2.968 4.469 ( 2.582 -0.775 -0.332) 2.717 4.480 ( -1.385 0.991 -2.708) 3.199 4.810 ( 2.579 1.989 -4.005) 5.162 4.864 ( -2.690 1.913 -3.145) 4.559 5.128 ( 5.061 30.908 0.913) 31.333 5.213 ( -2.073 32.343 -0.721) 32.418 5.296 ( -1.795 33.842 -1.759) 33.936 5.307 ( -1.839 32.270 -3.178) 32.479 5.554 ( 5.330 1.587 3.800) 6.735 5.715 ( -9.749 1.516 1.769) 10.024 6.058 ( 5.414 -2.920 -1.676) 6.375 6.139 ( -3.515 -3.697 -1.806) 5.412 6.943 ( 6.160 -0.900 0.948) 6.297 7.024 ( -2.266 -2.186 -0.783) 3.244 7.147 ( 3.359 0.479 1.208) 3.602 7.226 ( -3.494 -2.197 -1.241) 4.309 7.507 ( 12.399 1.260 -1.949) 12.615 7.611 ( 10.300 -4.762 -6.116) 12.890 7.630 ( -0.149 -3.516 2.995) 4.621 7.734 ( 0.436 -4.474 1.503) 4.740 7.895 ( -6.198 -6.215 -0.398) 8.786 7.960 ( -9.171 -5.375 -2.066) 10.829 8.609 ( 9.165 19.240 0.640) 21.321 8.688 ( 1.772 13.323 0.720) 13.460 8.939 ( 2.948 -4.172 -1.595) 5.352 9.027 ( -2.598 -2.223 -2.034) 3.978 9.151 ( 0.842 0.963 1.239) 1.781 9.164 ( -0.613 3.603 1.435) 3.926 9.380 ( -2.944 5.369 -1.012) 6.206 9.393 ( -4.899 4.314 -2.061) 6.846 9.543 ( -1.914 8.181 0.229) 8.405 9.575 ( -4.192 10.873 -0.597) 11.668 9.853 ( 6.941 15.425 -5.819) 17.888 9.949 ( -1.360 11.288 -6.312) 13.004 10.293 ( -0.252 9.327 -0.420) 9.339 10.381 ( -6.180 6.637 -4.343) 10.055 10.499 ( -1.799 -4.619 -5.222) 7.200 10.549 ( -6.174 2.514 -3.433) 7.499 10.770 ( 3.071 7.828 6.467) 10.608 10.934 ( -11.324 6.056 1.020) 12.882 11.266 ( 4.880 4.629 -0.899) 6.786 11.350 ( -3.894 3.481 -2.285) 5.701 11.919 ( 11.253 9.997 14.196) 20.690 12.037 ( -0.547 5.622 8.160) 9.925 12.512 ( 0.015 -23.844 6.037) 24.596 12.523 ( -0.931 -24.113 6.963) 25.115 12.668 ( 6.958 -10.200 -11.232) 16.691 12.761 ( -2.739 -17.657 -9.835) 20.397 12.957 ( 1.529 -7.465 -10.569) 13.029 13.000 ( -3.780 -6.471 -6.218) 9.738 13.213 ( 4.158 -5.734 -8.510) 11.072 13.316 ( -6.272 -4.613 -8.498) 11.525 13.952 ( 8.377 12.192 3.173) 15.129 14.116 ( -6.388 16.277 4.122) 17.965 14.439 ( 10.367 11.888 -1.350) 15.831 14.665 ( -9.400 16.877 -4.659) 19.872 14.839 ( 1.053 8.639 -1.093) 8.771 14.889 ( -3.386 10.981 -2.097) 11.681 15.253 ( 4.792 3.024 8.931) 10.577 15.374 ( -8.212 -0.566 4.579) 9.420 16.785 ( 0.233 -16.726 3.771) 17.148 16.791 ( -0.379 -15.788 3.078) 16.090 16.942 ( 0.410 -17.634 -1.466) 17.700 16.952 ( -0.610 -17.496 -1.517) 17.572 17.369 ( 8.841 9.266 31.087) 33.622 17.617 ( -18.402 13.632 36.400) 43.005 19.612 ( 8.343 3.112 -11.501) 14.545 19.780 ( -4.581 8.223 -9.049) 13.057 20.045 ( -0.719 16.715 2.998) 16.997 20.160 ( -13.137 9.152 0.009) 16.011 20.551 ( 1.762 7.811 -1.084) 8.080 20.643 ( -8.327 5.647 -3.270) 10.579 24.033 ( 14.445 -6.891 4.023) 16.502 24.255 ( -8.425 -8.037 -3.180) 12.070 25.300 ( 9.388 -19.696 -5.159) 22.421 25.365 ( 2.035 -20.463 -5.028) 21.169 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 28.838 1.252) 28.865 1.493 ( 0.000 28.393 9.359) 29.896 2.044 ( 0.000 8.743 -13.532) 16.111 2.255 ( 0.000 15.163 -16.802) 22.632 2.362 ( 0.000 6.331 -2.478) 6.799 2.510 ( 0.000 8.856 -3.944) 9.695 2.713 ( 0.000 39.728 26.262) 47.624 2.896 ( 0.000 9.784 6.920) 11.984 2.967 ( 0.000 6.054 8.900) 10.764 3.058 ( 0.000 6.803 3.177) 7.508 3.122 ( 0.000 2.119 4.957) 5.391 3.128 ( 0.000 7.295 -3.779) 8.216 3.240 ( 0.000 9.659 7.969) 12.522 3.312 ( 0.000 10.104 -2.412) 10.388 3.434 ( 0.000 7.241 2.960) 7.822 3.631 ( 0.000 8.279 -8.345) 11.755 3.726 ( 0.000 10.966 -0.869) 11.001 3.913 ( 0.000 12.526 4.406) 13.279 3.920 ( 0.000 12.844 -9.212) 15.806 4.101 ( 0.000 10.766 2.279) 11.005 4.492 ( 0.000 7.048 3.447) 7.846 4.761 ( 0.000 5.152 0.421) 5.169 4.805 ( 0.000 0.524 -6.776) 6.796 5.001 ( 0.000 3.253 -3.154) 4.531 5.441 ( 0.000 10.711 -2.404) 10.978 5.497 ( 0.000 3.637 -4.564) 5.836 5.767 ( 0.000 3.878 4.223) 5.733 5.824 ( 0.000 7.299 1.371) 7.427 6.040 ( 0.000 38.040 0.558) 38.044 6.095 ( 0.000 36.332 -0.931) 36.344 6.270 ( 0.000 28.211 2.448) 28.317 6.459 ( 0.000 26.431 -4.924) 26.886 6.754 ( 0.000 2.487 1.401) 2.854 6.925 ( 0.000 1.290 -4.721) 4.895 7.100 ( 0.000 0.415 -0.776) 0.880 7.117 ( 0.000 3.391 -1.517) 3.715 7.262 ( 0.000 -1.994 -8.341) 8.576 7.294 ( 0.000 7.288 -7.242) 10.275 7.730 ( 0.000 9.206 6.902) 11.506 7.889 ( 0.000 5.454 6.930) 8.819 7.917 ( 0.000 -3.902 1.933) 4.355 8.211 ( 0.000 2.848 -4.945) 5.707 8.642 ( 0.000 1.179 11.328) 11.390 8.775 ( 0.000 11.365 -4.076) 12.074 8.824 ( 0.000 6.642 -5.625) 8.704 8.954 ( 0.000 -2.678 -1.124) 2.904 9.196 ( 0.000 2.251 1.532) 2.723 9.247 ( 0.000 6.139 0.475) 6.157 9.606 ( 0.000 2.655 -0.633) 2.730 9.620 ( 0.000 5.670 1.974) 6.004 9.772 ( 0.000 0.934 3.746) 3.861 9.776 ( 0.000 6.254 3.319) 7.080 9.984 ( 0.000 6.507 1.547) 6.688 10.104 ( 0.000 22.357 1.742) 22.425 10.430 ( 0.000 4.106 -9.617) 10.457 10.433 ( 0.000 2.472 -6.793) 7.228 10.721 ( 0.000 14.170 13.977) 19.903 11.055 ( 0.000 -9.416 -1.071) 9.476 11.058 ( 0.000 -3.696 0.054) 3.697 11.241 ( 0.000 11.292 6.200) 12.882 11.570 ( 0.000 5.389 -12.217) 13.353 11.576 ( 0.000 9.019 17.781) 19.937 11.756 ( 0.000 -5.745 -15.377) 16.415 11.768 ( 0.000 -13.974 15.774) 21.073 12.069 ( 0.000 -14.350 3.120) 14.685 12.101 ( 0.000 -15.703 -2.295) 15.870 12.168 ( 0.000 -14.585 2.934) 14.878 12.178 ( 0.000 -23.819 -2.032) 23.906 12.765 ( 0.000 -6.842 -25.134) 26.048 13.140 ( 0.000 10.895 -29.021) 30.998 13.222 ( 0.000 -2.411 3.688) 4.407 13.460 ( 0.000 -2.157 -7.220) 7.535 13.933 ( 0.000 7.585 -8.424) 11.336 14.027 ( 0.000 8.175 -5.396) 9.795 14.824 ( 0.000 -2.577 -0.531) 2.631 14.964 ( 0.000 16.679 6.855) 18.033 15.075 ( 0.000 9.362 -2.907) 9.803 15.254 ( 0.000 2.922 10.845) 11.232 15.476 ( 0.000 11.641 -11.123) 16.101 15.528 ( 0.000 -4.673 -1.788) 5.003 16.508 ( 0.000 -8.607 -3.252) 9.201 16.549 ( 0.000 -18.805 -2.455) 18.964 16.554 ( 0.000 -6.896 -7.796) 10.408 16.563 ( 0.000 -16.761 -1.434) 16.822 17.317 ( 0.000 4.300 30.932) 31.229 18.676 ( 0.000 10.369 -20.713) 23.163 19.287 ( 0.000 -30.489 38.704) 49.271 19.848 ( 0.000 -3.328 0.664) 3.393 20.698 ( 0.000 12.906 2.362) 13.121 20.813 ( 0.000 14.286 -1.823) 14.401 20.819 ( 0.000 15.931 2.590) 16.140 20.993 ( 0.000 2.764 -2.166) 3.511 23.563 ( 0.000 -1.187 2.137) 2.445 23.838 ( 0.000 -7.998 -8.930) 11.988 24.476 ( 0.000 -17.200 9.797) 19.794 24.799 ( 0.000 -21.421 -2.708) 21.591 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 9.820 24.771 4.445) 27.015 1.547 ( 5.841 26.114 6.800) 27.609 2.047 ( -0.775 11.245 -13.020) 17.221 2.273 ( 0.854 10.061 -11.397) 15.227 2.358 ( -1.739 7.498 -5.239) 9.311 2.431 ( -4.747 11.948 -3.399) 13.298 2.677 ( -19.253 6.352 8.131) 21.844 2.807 ( 3.848 29.502 16.016) 33.789 2.861 ( -2.809 8.192 8.464) 12.110 2.959 ( -3.798 11.028 -0.061) 11.664 3.125 ( 3.463 8.533 5.664) 10.811 3.173 ( -5.066 12.122 7.161) 14.963 3.257 ( 4.983 8.296 -3.801) 10.397 3.435 ( 6.526 6.485 0.710) 9.228 3.566 ( 8.075 7.084 0.148) 10.743 3.621 ( 5.030 10.306 -0.596) 11.484 3.766 ( -0.079 10.774 -1.987) 10.956 3.853 ( -3.276 10.818 4.180) 12.051 3.981 ( 2.963 10.333 -5.102) 11.899 4.103 ( -0.047 11.247 4.226) 12.015 4.502 ( 1.210 7.163 0.215) 7.267 4.704 ( -6.322 7.871 -0.975) 10.142 4.822 ( 2.027 2.508 -6.020) 6.830 4.954 ( -3.032 2.721 -3.259) 5.217 5.471 ( 3.311 8.638 -0.532) 9.266 5.530 ( 2.853 3.722 -2.667) 5.395 5.819 ( 4.101 4.311 0.787) 6.001 5.849 ( 2.162 2.181 -1.317) 3.342 6.028 ( -0.402 40.054 1.425) 40.081 6.107 ( 0.764 37.776 -1.393) 37.810 6.219 ( -4.986 28.657 2.969) 29.239 6.386 ( -6.859 27.708 -3.613) 28.773 6.825 ( 6.519 2.022 1.275) 6.944 6.971 ( 3.658 0.358 -3.072) 4.790 7.113 ( 1.897 -0.038 -0.670) 2.012 7.150 ( 2.552 1.875 -0.598) 3.223 7.336 ( 7.323 -1.651 -7.596) 10.680 7.377 ( 8.288 6.282 -6.515) 12.272 7.698 ( -2.496 7.351 4.229) 8.840 7.792 ( -6.141 5.947 2.254) 8.841 7.929 ( -2.053 -2.376 5.297) 6.157 8.142 ( -7.643 2.959 -4.167) 9.194 8.695 ( 3.837 -1.469 8.916) 9.817 8.795 ( 3.936 13.804 -3.278) 14.724 8.848 ( 1.512 1.648 -3.031) 3.767 8.951 ( 1.020 -0.027 -1.760) 2.034 9.192 ( -0.306 2.609 1.154) 2.869 9.262 ( -0.391 4.849 0.217) 4.869 9.572 ( -2.171 4.738 0.202) 5.216 9.638 ( 0.569 8.153 0.799) 8.211 9.705 ( -1.908 3.391 4.090) 5.645 9.832 ( 0.420 5.790 1.359) 5.962 10.018 ( 3.589 10.014 1.957) 10.816 10.192 ( 9.129 17.945 1.044) 20.161 10.331 ( -6.635 4.298 -8.932) 11.928 10.415 ( -2.655 0.756 -4.262) 5.078 10.675 ( -6.572 13.915 12.946) 20.110 10.901 ( -8.905 2.482 -2.613) 9.607 11.000 ( -7.603 -6.652 -0.345) 10.108 11.236 ( -1.496 4.426 -1.380) 4.872 11.510 ( -8.708 9.374 -1.987) 12.948 11.521 ( -5.284 2.865 4.593) 7.565 11.769 ( 11.191 -1.655 8.795) 14.330 11.916 ( 4.793 -20.900 0.924) 21.462 12.005 ( -2.914 -13.418 -1.456) 13.807 12.132 ( -2.404 -22.889 0.906) 23.033 12.172 ( 5.214 -19.435 2.453) 20.271 12.243 ( 4.600 -8.202 0.727) 9.432 12.816 ( 4.981 -5.225 -22.894) 24.005 13.133 ( -1.398 0.286 -8.116) 8.241 13.186 ( -2.321 6.396 -17.663) 18.928 13.407 ( -5.616 -0.432 -8.781) 10.432 13.971 ( 5.943 6.944 -4.715) 10.285 14.201 ( 14.686 8.439 -6.832) 18.264 14.720 ( -10.178 2.825 0.357) 10.569 14.998 ( 2.645 12.074 4.478) 13.146 15.040 ( -3.377 9.670 -2.796) 10.618 15.273 ( 1.353 2.578 8.918) 9.382 15.389 ( -8.065 12.936 -6.589) 16.607 15.473 ( -4.853 -2.305 0.935) 5.453 16.490 ( -1.418 -10.232 -3.044) 10.769 16.505 ( -2.194 -14.368 -2.548) 14.756 16.570 ( 1.346 -15.299 -2.263) 15.524 16.602 ( 1.541 -11.997 -5.661) 13.355 17.358 ( 4.460 4.053 32.346) 32.903 18.315 ( -30.164 3.935 21.653) 37.339 19.347 ( 6.223 -15.946 3.465) 17.464 19.846 ( -1.453 -6.100 -2.285) 6.674 20.590 ( -7.274 18.856 1.007) 20.235 20.696 ( -10.271 16.636 -0.847) 19.570 20.817 ( -0.678 16.745 0.159) 16.759 20.937 ( -5.170 7.396 -2.914) 9.483 23.637 ( 9.437 -4.665 4.887) 11.606 24.042 ( 9.220 -13.006 -12.162) 20.052 24.555 ( 10.432 -21.346 8.720) 25.308 24.844 ( 3.743 -22.580 -3.017) 23.086 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 11.750 17.305 5.166) 21.545 1.760 ( 17.185 19.896 2.700) 26.428 1.939 ( -10.596 13.097 -5.208) 17.633 2.132 ( -18.283 13.572 3.033) 22.971 2.309 ( 1.959 8.208 -1.585) 8.586 2.391 ( -7.482 8.726 -0.485) 11.505 2.498 ( 8.269 9.404 -11.932) 17.297 2.681 ( -9.798 7.447 -5.775) 13.594 2.894 ( 1.737 12.642 7.290) 14.697 2.940 ( -2.359 12.960 4.286) 13.853 3.132 ( 2.213 10.277 6.043) 12.126 3.196 ( -2.279 8.581 2.983) 9.366 3.383 ( 15.454 21.414 4.003) 26.709 3.563 ( 7.189 7.683 4.777) 11.555 3.673 ( -2.220 8.691 -1.300) 9.063 3.694 ( -8.909 15.153 6.501) 18.741 3.718 ( 1.550 8.563 2.225) 8.982 3.751 ( -2.189 11.361 -0.481) 11.580 4.031 ( 3.493 9.013 2.027) 9.877 4.094 ( -1.780 8.457 4.247) 9.629 4.535 ( 1.948 6.883 -4.227) 8.309 4.585 ( -4.310 8.911 -3.524) 10.507 4.871 ( 2.561 4.006 -5.446) 7.229 4.911 ( -1.849 3.184 -4.740) 6.002 5.548 ( 3.913 4.453 1.054) 6.021 5.580 ( 1.275 2.133 0.141) 2.489 5.864 ( 1.077 8.811 -3.817) 9.663 5.885 ( 0.370 1.320 -4.015) 4.243 6.055 ( 2.806 35.041 1.476) 35.184 6.105 ( -2.419 36.540 0.518) 36.624 6.140 ( 0.515 32.935 1.691) 32.982 6.237 ( -7.792 30.962 -1.199) 31.950 6.950 ( 5.441 1.941 1.222) 5.905 7.008 ( -0.479 1.515 0.193) 1.600 7.163 ( 2.683 0.201 -0.492) 2.735 7.188 ( 0.580 -0.738 -0.324) 0.993 7.506 ( 9.097 -1.267 -3.903) 9.980 7.577 ( 10.006 2.767 -5.049) 11.544 7.644 ( -2.482 5.175 0.596) 5.770 7.721 ( -1.150 3.604 -0.679) 3.844 7.843 ( -4.647 1.328 2.651) 5.512 7.939 ( -11.993 3.419 -2.111) 12.649 8.760 ( 3.547 -2.241 2.982) 5.147 8.827 ( -3.110 -3.649 0.361) 4.808 8.943 ( 10.441 11.241 -1.066) 15.378 9.042 ( 6.929 3.512 -1.927) 8.004 9.138 ( -6.563 2.657 0.045) 7.081 9.190 ( -6.704 2.093 -0.212) 7.026 9.563 ( 2.048 9.117 3.054) 9.831 9.618 ( -2.421 9.269 2.758) 9.969 9.724 ( 2.878 10.648 1.427) 11.122 9.789 ( -3.752 9.654 0.448) 10.367 10.127 ( 7.398 9.462 -0.844) 12.041 10.234 ( -3.098 1.010 -7.801) 8.454 10.343 ( -1.719 4.423 3.024) 5.627 10.358 ( -1.274 8.765 -0.127) 8.858 10.576 ( 4.722 11.760 0.482) 12.682 10.766 ( -9.397 6.365 -5.709) 12.705 10.884 ( 1.240 1.352 2.334) 2.969 11.061 ( -14.330 2.960 -2.646) 14.869 11.425 ( 2.383 7.403 5.896) 9.760 11.485 ( -2.796 8.440 -0.106) 8.892 11.931 ( 4.521 -13.156 3.887) 14.444 11.962 ( 0.224 -21.985 3.713) 22.298 11.986 ( 2.438 -19.662 0.601) 19.822 12.069 ( -4.187 -22.671 2.313) 23.170 12.280 ( 4.853 -13.004 3.673) 14.358 12.314 ( 1.620 -6.680 3.617) 7.767 12.937 ( 7.220 -1.287 -18.532) 19.931 13.064 ( -5.479 -1.988 -9.929) 11.513 13.183 ( 2.240 6.835 -16.972) 18.433 13.275 ( -7.024 1.705 -10.389) 12.656 14.145 ( 11.742 7.844 -1.029) 14.159 14.380 ( -8.450 9.478 -0.106) 12.698 14.615 ( 12.037 5.636 -9.229) 16.181 14.899 ( -11.977 6.204 -11.584) 17.780 15.073 ( 4.539 12.384 6.997) 14.930 15.190 ( -8.201 10.835 3.510) 14.034 15.332 ( 2.059 4.209 7.908) 9.192 15.386 ( -3.716 2.099 5.389) 6.875 16.470 ( -0.429 -12.725 -1.991) 12.887 16.476 ( -0.987 -14.538 -1.314) 14.630 16.596 ( 1.289 -13.481 -3.443) 13.973 16.613 ( -0.295 -12.352 -4.863) 13.278 17.497 ( 10.723 3.647 36.447) 38.166 17.796 ( -21.664 3.569 39.475) 45.170 19.519 ( 11.480 -9.810 -13.841) 20.484 19.741 ( -9.997 -10.109 -11.570) 18.330 20.493 ( -2.116 22.456 0.798) 22.570 20.527 ( -5.542 22.315 0.426) 22.997 20.809 ( 0.389 16.086 -0.559) 16.100 20.846 ( -3.623 13.504 -1.378) 14.049 23.858 ( 11.880 -9.400 3.415) 15.529 24.042 ( -6.568 -12.027 -2.839) 13.994 24.794 ( 10.312 -26.418 -0.301) 28.361 24.890 ( -0.269 -25.086 -2.859) 25.250 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.000 25.417 -3.247) 25.623 2.057 ( 0.000 26.091 2.267) 26.189 2.302 ( 0.000 14.608 -9.205) 17.267 2.514 ( 0.000 8.841 -10.160) 13.468 2.529 ( 0.000 10.287 0.947) 10.330 2.742 ( 0.000 14.218 -7.230) 15.951 3.082 ( 0.000 0.842 13.043) 13.070 3.092 ( 0.000 5.701 7.874) 9.722 3.098 ( 0.000 8.513 7.310) 11.221 3.186 ( 0.000 7.583 2.038) 7.852 3.280 ( 0.000 7.664 -2.552) 8.078 3.456 ( 0.000 4.539 -0.682) 4.590 3.489 ( 0.000 13.919 1.622) 14.013 3.549 ( 0.000 31.596 12.786) 34.085 3.583 ( 0.000 3.622 5.135) 6.284 3.727 ( 0.000 5.598 -9.149) 10.725 3.972 ( 0.000 12.816 0.241) 12.818 4.135 ( 0.000 8.933 4.943) 10.210 4.159 ( 0.000 8.925 -1.751) 9.095 4.432 ( 0.000 17.942 11.561) 21.345 4.666 ( 0.000 9.888 -7.942) 12.682 4.820 ( 0.000 1.159 -5.222) 5.349 4.929 ( 0.000 11.260 -5.808) 12.670 5.078 ( 0.000 3.553 -2.709) 4.468 5.524 ( 0.000 0.695 -1.764) 1.896 5.587 ( 0.000 6.553 -6.367) 9.137 5.694 ( 0.000 -6.189 3.896) 7.313 5.849 ( 0.000 -1.421 -1.410) 2.002 6.623 ( 0.000 11.146 -0.101) 11.146 6.694 ( 0.000 14.862 -3.048) 15.171 6.849 ( 0.000 11.160 2.854) 11.519 6.906 ( 0.000 7.539 0.077) 7.540 6.964 ( 0.000 30.658 2.298) 30.744 7.063 ( 0.000 11.401 -1.841) 11.549 7.208 ( 0.000 13.092 -0.494) 13.101 7.258 ( 0.000 6.304 -4.525) 7.760 7.391 ( 0.000 22.347 -4.350) 22.766 7.517 ( 0.000 15.394 -9.639) 18.163 7.888 ( 0.000 2.082 10.932) 11.129 7.983 ( 0.000 14.977 4.387) 15.606 8.073 ( 0.000 12.284 5.610) 13.505 8.316 ( 0.000 8.290 -3.440) 8.975 8.681 ( 0.000 5.398 8.015) 9.663 8.880 ( 0.000 3.328 -1.524) 3.660 9.047 ( 0.000 12.770 -7.058) 14.591 9.079 ( 0.000 12.176 -3.682) 12.720 9.349 ( 0.000 14.014 0.329) 14.017 9.409 ( 0.000 10.448 -2.158) 10.668 9.626 ( 0.000 -1.715 4.088) 4.433 9.662 ( 0.000 -0.042 -0.717) 0.719 9.806 ( 0.000 1.045 2.246) 2.477 9.868 ( 0.000 4.626 16.291) 16.935 10.047 ( 0.000 1.417 -3.856) 4.108 10.521 ( 0.000 10.041 -3.323) 10.576 10.532 ( 0.000 4.608 -6.739) 8.164 10.550 ( 0.000 4.032 -13.006) 13.616 10.728 ( 0.000 -16.468 3.766) 16.893 10.906 ( 0.000 -15.634 -0.857) 15.657 10.934 ( 0.000 -0.578 -0.028) 0.579 11.198 ( 0.000 -20.036 -5.824) 20.866 11.367 ( 0.000 -10.894 17.428) 20.553 11.397 ( 0.000 1.592 12.119) 12.223 11.566 ( 0.000 -18.378 -1.012) 18.406 11.832 ( 0.000 10.403 -0.085) 10.403 11.898 ( 0.000 9.267 11.938) 15.113 11.971 ( 0.000 8.321 0.474) 8.335 12.055 ( 0.000 4.211 10.201) 11.036 12.188 ( 0.000 0.998 -9.402) 9.455 12.599 ( 0.000 -9.143 -20.544) 22.487 13.163 ( 0.000 -2.753 3.974) 4.835 13.230 ( 0.000 -1.351 -0.699) 1.521 13.442 ( 0.000 -0.037 -16.079) 16.079 14.121 ( 0.000 11.408 -15.368) 19.139 14.185 ( 0.000 6.546 -6.851) 9.476 14.770 ( 0.000 -2.583 -1.918) 3.217 15.117 ( 0.000 -0.018 -10.526) 10.526 15.188 ( 0.000 -9.337 7.013) 11.678 15.259 ( 0.000 4.827 2.966) 5.666 15.410 ( 0.000 -6.874 0.230) 6.878 15.524 ( 0.000 -4.235 -10.132) 10.982 16.273 ( 0.000 -5.873 2.725) 6.475 16.344 ( 0.000 -3.756 3.241) 4.961 16.366 ( 0.000 -3.389 8.173) 8.848 16.626 ( 0.000 9.574 -17.582) 20.019 17.419 ( 0.000 6.323 24.902) 25.693 18.682 ( 0.000 -26.587 42.541) 50.165 18.778 ( 0.000 -0.086 -24.209) 24.209 19.623 ( 0.000 -16.314 -1.940) 16.429 20.912 ( 0.000 8.245 0.562) 8.264 21.040 ( 0.000 6.260 -4.599) 7.768 21.177 ( 0.000 13.330 1.209) 13.384 21.189 ( 0.000 16.938 0.149) 16.939 23.538 ( 0.000 -1.256 1.069) 1.649 23.687 ( 0.000 -6.333 -5.377) 8.308 24.101 ( 0.000 -18.552 6.886) 19.789 24.338 ( 0.000 -22.854 -2.612) 23.002 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 3.255 23.788 -0.028) 24.010 2.073 ( 2.510 24.312 1.724) 24.501 2.317 ( -0.110 13.577 -8.705) 16.129 2.470 ( -2.548 8.820 -6.081) 11.012 2.533 ( -0.262 9.929 -2.480) 10.237 2.703 ( -6.127 12.847 -4.768) 15.011 2.813 ( -12.194 7.889 7.964) 16.564 2.999 ( -7.382 7.989 5.157) 12.038 3.156 ( -1.288 10.889 2.370) 11.218 3.208 ( 1.617 8.179 3.752) 9.143 3.325 ( -0.623 6.030 -1.021) 6.148 3.425 ( -1.313 10.094 -1.893) 10.354 3.503 ( 4.753 6.554 1.526) 8.239 3.632 ( 8.069 16.755 7.189) 19.938 3.741 ( 4.116 12.640 0.717) 13.312 3.803 ( 14.244 9.518 4.574) 17.732 3.997 ( -0.141 11.519 -0.262) 11.523 4.058 ( -5.144 8.254 7.329) 12.178 4.173 ( 0.082 7.006 -0.349) 7.015 4.409 ( -2.329 16.736 11.330) 20.344 4.677 ( 1.360 9.649 -7.971) 12.589 4.864 ( 2.921 3.954 -5.268) 7.206 4.921 ( -0.702 10.615 -5.200) 11.841 5.049 ( -2.433 6.422 -4.302) 8.104 5.532 ( 0.572 -0.418 -1.522) 1.678 5.596 ( 2.198 4.519 -3.539) 6.146 5.727 ( 2.148 -6.477 0.263) 6.829 5.829 ( -1.846 -2.568 -1.375) 3.449 6.675 ( 3.153 12.843 -1.098) 13.269 6.693 ( 0.891 16.777 -0.696) 16.815 6.841 ( -4.285 19.938 4.226) 20.826 6.873 ( 2.587 6.697 1.673) 7.372 7.008 ( 2.849 19.047 -1.429) 19.312 7.085 ( 1.774 16.802 -2.107) 17.026 7.204 ( 0.270 11.759 0.189) 11.764 7.319 ( 3.293 10.197 -5.311) 11.960 7.379 ( 1.055 13.655 -1.751) 13.807 7.582 ( 6.403 14.084 -9.417) 18.111 7.839 ( -4.538 3.928 9.050) 10.859 7.981 ( -1.163 13.961 1.631) 14.104 8.039 ( -2.432 13.929 6.810) 15.694 8.275 ( -4.606 11.565 -3.090) 12.826 8.712 ( 2.686 4.581 6.091) 8.081 8.856 ( -2.282 3.013 -1.122) 3.942 9.053 ( 1.413 11.056 -3.154) 11.584 9.100 ( 1.935 12.479 -2.771) 12.929 9.322 ( -2.651 10.509 -0.330) 10.844 9.380 ( -2.992 6.815 -1.956) 7.696 9.603 ( 0.767 -2.852 3.114) 4.292 9.734 ( 1.932 5.735 2.561) 6.571 9.824 ( 6.564 4.503 2.840) 8.452 9.959 ( 5.299 6.860 8.827) 12.371 10.074 ( 2.922 0.029 -4.665) 5.504 10.419 ( -7.846 6.142 -7.395) 12.408 10.507 ( -4.226 4.255 -3.620) 7.005 10.552 ( 2.197 4.704 -1.701) 5.463 10.744 ( -0.690 -16.292 -1.759) 16.401 10.827 ( -6.867 -5.191 0.055) 8.609 10.911 ( -2.660 -0.207 -0.588) 2.732 11.098 ( -7.746 -22.646 -3.227) 24.150 11.358 ( -1.551 -3.007 12.770) 13.210 11.380 ( -0.825 -10.307 6.352) 12.135 11.571 ( 0.599 -17.056 -0.808) 17.086 11.823 ( -7.320 0.349 3.902) 8.302 11.872 ( 1.505 13.743 0.126) 13.826 11.964 ( -1.015 10.965 12.501) 16.660 12.054 ( 4.566 2.519 3.595) 6.334 12.267 ( 4.776 -0.314 -3.656) 6.023 12.680 ( 7.280 -8.097 -16.424) 19.706 13.052 ( -7.079 -4.703 3.014) 9.017 13.282 ( 2.087 1.144 -4.759) 5.321 13.427 ( -1.846 1.106 -15.775) 15.922 14.145 ( 5.325 10.296 -11.588) 16.390 14.354 ( 13.772 6.427 -8.705) 17.515 14.729 ( -4.580 -0.618 -3.559) 5.833 15.090 ( -3.549 -1.166 -11.571) 12.159 15.191 ( 0.367 -7.707 6.772) 10.266 15.243 ( -1.284 2.774 3.579) 4.706 15.394 ( -1.293 -4.550 0.709) 4.783 15.482 ( -4.044 -3.399 -9.204) 10.613 16.271 ( -0.021 -4.684 3.568) 5.888 16.332 ( -1.176 -3.483 3.259) 4.913 16.389 ( 2.242 -3.252 6.114) 7.279 16.593 ( -3.242 7.670 -14.428) 16.659 17.449 ( 3.348 5.645 26.658) 27.454 18.243 ( -26.729 -8.923 33.306) 43.627 19.052 ( 12.767 -12.506 -12.862) 22.019 19.588 ( -4.165 -16.882 -5.528) 18.246 20.893 ( -1.407 10.980 0.666) 11.090 21.007 ( -3.138 10.942 -3.801) 12.001 21.142 ( -2.358 13.189 1.415) 13.473 21.181 ( -1.281 15.345 -0.159) 15.399 23.557 ( 3.968 -3.180 2.901) 5.854 23.796 ( 5.356 -10.652 -7.312) 13.986 24.135 ( 5.216 -19.209 7.045) 21.115 24.366 ( 2.119 -23.314 -2.700) 23.566 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 5.613 18.138 5.300) 19.713 2.189 ( 9.602 20.043 -1.163) 22.254 2.210 ( -9.062 12.665 0.162) 15.574 2.413 ( -12.942 13.272 0.583) 18.547 2.513 ( 4.998 10.911 -4.336) 12.760 2.575 ( -1.874 10.334 -1.380) 10.593 2.746 ( 1.385 13.062 -5.245) 14.143 2.846 ( -8.051 9.232 -2.635) 12.529 3.158 ( 1.413 12.112 2.169) 12.386 3.199 ( -2.330 10.869 1.210) 11.182 3.304 ( 1.189 7.987 -0.528) 8.092 3.362 ( -4.185 7.568 -5.615) 10.311 3.672 ( 10.606 5.317 4.826) 12.808 3.802 ( 8.215 5.189 2.279) 9.980 3.847 ( 0.801 12.843 8.936) 15.666 3.885 ( -4.955 10.669 1.296) 11.835 3.971 ( 1.087 12.268 2.382) 12.545 4.008 ( -2.319 13.037 9.825) 16.488 4.218 ( 6.230 7.599 3.858) 10.557 4.341 ( -5.160 14.038 8.514) 17.210 4.722 ( 3.533 10.706 -6.122) 12.829 4.816 ( -5.799 12.823 -3.991) 14.628 4.966 ( 3.505 5.029 -6.067) 8.624 5.013 ( -1.595 7.450 -6.454) 9.985 5.569 ( 3.348 -0.792 -1.258) 3.663 5.625 ( -0.993 2.081 -3.611) 4.284 5.757 ( 1.654 -7.302 -0.901) 7.541 5.793 ( -1.788 -5.291 -1.697) 5.837 6.674 ( 0.450 17.022 1.796) 17.122 6.711 ( -2.790 18.256 2.167) 18.595 6.837 ( 4.516 20.265 -0.075) 20.763 6.904 ( -1.230 17.160 -1.048) 17.236 7.071 ( 4.231 14.600 -0.521) 15.210 7.117 ( 0.511 14.803 -0.988) 14.845 7.222 ( 1.886 10.447 0.185) 10.618 7.284 ( -3.953 11.573 -2.356) 12.455 7.512 ( 9.587 1.933 0.263) 9.784 7.678 ( -4.489 3.552 0.842) 5.786 7.773 ( 4.988 11.159 -2.959) 12.576 7.909 ( -6.046 13.329 -1.733) 14.738 8.041 ( 2.983 18.656 4.206) 19.355 8.149 ( -7.572 18.694 -1.102) 20.199 8.761 ( 2.307 3.647 2.542) 5.009 8.806 ( -2.617 2.918 0.276) 3.929 9.117 ( 5.082 6.840 0.043) 8.522 9.160 ( 3.889 9.704 -0.453) 10.464 9.246 ( -4.639 5.716 -0.100) 7.362 9.288 ( -5.988 6.994 0.554) 9.224 9.675 ( 5.651 -0.784 -0.793) 5.760 9.750 ( -0.910 6.839 2.177) 7.235 9.961 ( 4.990 9.878 0.454) 11.076 10.006 ( -0.213 12.713 4.083) 13.355 10.161 ( 6.533 1.222 -5.924) 8.903 10.295 ( -6.076 6.175 -5.649) 10.342 10.434 ( -0.264 1.082 5.509) 5.620 10.540 ( -7.730 -4.831 3.513) 9.769 10.689 ( 2.730 -3.292 -0.966) 4.384 10.766 ( -2.282 -1.973 -3.981) 4.995 10.865 ( 0.088 -6.847 -4.650) 8.278 10.952 ( -7.267 -15.479 -3.776) 17.512 11.343 ( 0.374 -7.964 6.878) 10.530 11.362 ( -1.156 -13.633 5.184) 14.631 11.594 ( 2.169 -12.417 -1.076) 12.651 11.673 ( -6.560 -4.547 -1.059) 8.051 11.902 ( 1.292 13.397 6.185) 14.812 11.928 ( -1.658 10.480 9.529) 14.262 12.194 ( 7.601 -0.249 5.787) 9.557 12.296 ( -2.297 -1.088 2.663) 3.682 12.826 ( 7.076 -8.527 -10.074) 14.975 12.937 ( -5.216 -7.634 -3.056) 9.737 13.315 ( 2.145 4.340 -10.115) 11.213 13.372 ( -3.467 4.120 -14.865) 15.810 14.316 ( 11.762 9.235 -8.113) 17.014 14.535 ( -7.327 6.315 -4.814) 10.805 14.692 ( 12.346 1.962 -11.633) 17.076 14.951 ( -11.288 -1.056 -11.930) 16.458 15.204 ( 0.965 -4.797 5.273) 7.194 15.223 ( -0.916 -0.930 3.695) 3.919 15.377 ( -0.126 -1.742 -0.035) 1.747 15.404 ( -3.172 -2.220 -4.384) 5.848 16.278 ( 0.848 -3.053 3.810) 4.955 16.303 ( -1.624 -2.679 3.282) 4.537 16.444 ( 3.390 -1.699 1.731) 4.169 16.517 ( -4.259 2.593 -5.901) 7.726 17.558 ( 8.612 3.429 31.822) 33.144 17.804 ( -18.077 -1.068 37.381) 41.536 19.268 ( 10.629 -13.958 -17.009) 24.436 19.459 ( -9.025 -16.189 -13.095) 22.694 20.885 ( 1.093 15.086 1.195) 15.173 20.936 ( -3.820 16.118 -0.244) 16.566 21.120 ( 0.338 12.659 0.024) 12.663 21.147 ( -2.048 14.249 -0.581) 14.407 23.674 ( 7.212 -8.090 2.364) 11.093 23.793 ( -4.442 -11.627 -1.731) 12.566 24.287 ( 8.023 -22.379 1.132) 23.800 24.380 ( -1.561 -23.807 -1.958) 23.939 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 0.000 18.486 -3.361) 18.789 2.541 ( 0.000 18.367 -1.216) 18.407 2.555 ( 0.000 11.418 -9.635) 14.940 2.642 ( 0.000 4.895 -6.012) 7.753 2.795 ( 0.000 15.056 4.080) 15.599 3.037 ( 0.000 13.046 -5.604) 14.198 3.071 ( 0.000 -0.584 12.200) 12.214 3.174 ( 0.000 1.686 8.088) 8.261 3.229 ( 0.000 4.157 2.307) 4.754 3.378 ( 0.000 9.605 4.520) 10.615 3.432 ( 0.000 6.627 -0.731) 6.667 3.499 ( 0.000 -1.095 -4.143) 4.285 3.614 ( 0.000 3.298 1.490) 3.619 3.656 ( 0.000 5.351 -2.414) 5.870 3.862 ( 0.000 4.736 4.056) 6.236 4.157 ( 0.000 23.200 3.655) 23.486 4.172 ( 0.000 5.101 9.454) 10.742 4.288 ( 0.000 4.909 1.445) 5.117 4.317 ( 0.000 10.050 -0.607) 10.068 4.727 ( 0.000 9.940 7.204) 12.276 4.869 ( 0.000 4.194 -1.644) 4.505 4.876 ( 0.000 9.454 -7.972) 12.367 5.138 ( 0.000 2.702 -1.329) 3.011 5.191 ( 0.000 12.441 -10.150) 16.057 5.518 ( 0.000 -0.316 2.279) 2.301 5.659 ( 0.000 4.184 2.265) 4.758 5.739 ( 0.000 7.647 -6.942) 10.328 5.816 ( 0.000 -0.846 -3.762) 3.856 6.710 ( 0.000 2.588 0.263) 2.601 6.843 ( 0.000 6.496 -3.952) 7.604 7.025 ( 0.000 5.919 0.609) 5.951 7.028 ( 0.000 5.946 1.969) 6.263 7.176 ( 0.000 3.053 5.428) 6.227 7.413 ( 0.000 14.744 0.052) 14.744 7.441 ( 0.000 9.329 3.808) 10.076 7.521 ( 0.000 11.752 -4.547) 12.601 7.755 ( 0.000 9.032 -2.577) 9.392 7.926 ( 0.000 21.427 -8.279) 22.971 8.013 ( 0.000 8.236 11.207) 13.908 8.312 ( 0.000 16.302 3.046) 16.585 8.358 ( 0.000 14.579 3.157) 14.917 8.577 ( 0.000 15.809 -4.696) 16.492 8.878 ( 0.000 13.307 7.574) 15.312 8.984 ( 0.000 4.643 -0.668) 4.691 9.277 ( 0.000 9.512 -4.215) 10.405 9.379 ( 0.000 12.599 -4.447) 13.360 9.541 ( 0.000 -1.308 5.044) 5.211 9.651 ( 0.000 -0.737 -3.904) 3.972 9.696 ( 0.000 7.621 -1.752) 7.820 9.732 ( 0.000 18.509 -2.115) 18.629 9.793 ( 0.000 0.021 -4.942) 4.942 9.824 ( 0.000 -6.394 0.920) 6.460 10.126 ( 0.000 3.218 1.338) 3.485 10.194 ( 0.000 -32.037 -0.864) 32.049 10.363 ( 0.000 -9.329 3.765) 10.060 10.448 ( 0.000 -1.776 0.858) 1.972 10.619 ( 0.000 -3.205 -4.842) 5.807 10.733 ( 0.000 -5.001 -6.545) 8.237 10.785 ( 0.000 -7.201 2.647) 7.672 11.204 ( 0.000 15.437 -4.447) 16.065 11.280 ( 0.000 -3.635 17.836) 18.203 11.428 ( 0.000 -0.138 -5.621) 5.623 11.439 ( 0.000 6.755 1.756) 6.980 11.956 ( 0.000 3.709 4.783) 6.053 12.023 ( 0.000 2.140 0.641) 2.234 12.071 ( 0.000 -7.080 -11.713) 13.687 12.227 ( 0.000 11.811 21.188) 24.257 12.364 ( 0.000 18.400 1.066) 18.431 12.418 ( 0.000 -7.693 -5.220) 9.297 13.123 ( 0.000 -1.082 4.375) 4.507 13.152 ( 0.000 -5.215 8.578) 10.039 13.411 ( 0.000 -3.632 -7.529) 8.359 14.260 ( 0.000 0.269 -4.018) 4.027 14.409 ( 0.000 15.835 -18.400) 24.275 14.697 ( 0.000 -5.393 1.041) 5.493 14.932 ( 0.000 -13.415 -0.916) 13.446 15.003 ( 0.000 -10.855 -4.651) 11.809 15.244 ( 0.000 -2.132 -9.323) 9.563 15.310 ( 0.000 -2.244 -11.123) 11.347 15.417 ( 0.000 -4.093 -20.973) 21.369 16.305 ( 0.000 6.583 11.088) 12.895 16.363 ( 0.000 2.262 21.187) 21.307 16.390 ( 0.000 6.506 9.289) 11.340 16.817 ( 0.000 7.246 -11.172) 13.316 17.591 ( 0.000 10.565 14.114) 17.631 18.249 ( 0.000 -14.711 35.530) 38.455 18.701 ( 0.000 -6.627 -23.459) 24.377 19.247 ( 0.000 -19.368 -5.411) 20.110 21.035 ( 0.000 4.003 0.497) 4.034 21.130 ( 0.000 2.638 -3.833) 4.653 21.385 ( 0.000 6.044 2.497) 6.539 21.452 ( 0.000 8.109 -0.598) 8.131 23.510 ( 0.000 -1.540 0.664) 1.677 23.580 ( 0.000 -4.533 -2.605) 5.228 23.752 ( 0.000 -14.689 4.136) 15.260 23.898 ( 0.000 -19.374 -1.795) 19.457 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 0.470 16.212 -2.243) 16.374 2.529 ( -0.525 18.629 -0.049) 18.637 2.549 ( -2.572 11.829 -4.625) 12.959 2.635 ( 1.168 7.109 -6.680) 9.825 2.763 ( -2.761 11.203 1.661) 11.657 2.901 ( -9.048 8.068 4.166) 12.819 3.019 ( -2.675 10.118 1.224) 10.537 3.151 ( -3.027 6.118 2.296) 7.202 3.333 ( 2.568 4.778 3.026) 6.211 3.356 ( 0.524 7.364 1.791) 7.596 3.453 ( 1.104 7.044 -1.025) 7.203 3.514 ( 0.488 -1.496 -4.170) 4.457 3.603 ( 3.719 6.653 2.389) 7.987 3.748 ( 4.185 1.039 -3.571) 5.598 3.962 ( 11.951 4.530 7.583) 14.861 4.135 ( -2.842 11.490 3.209) 12.263 4.171 ( -2.017 4.337 9.171) 10.344 4.227 ( -3.477 12.272 5.717) 13.978 4.311 ( -0.740 8.153 -0.002) 8.186 4.723 ( -3.002 13.257 9.449) 16.555 4.860 ( 2.129 5.552 -10.808) 12.336 4.940 ( 5.636 6.650 -2.035) 8.951 5.147 ( -0.530 7.969 -3.400) 8.680 5.214 ( 2.349 10.295 -8.218) 13.380 5.513 ( -0.246 -0.300 2.172) 2.206 5.659 ( -0.352 1.609 0.693) 1.787 5.709 ( -2.253 5.684 -6.224) 8.725 5.794 ( -2.271 -0.375 -3.567) 4.246 6.760 ( 4.319 2.471 0.599) 5.012 6.885 ( 4.304 7.303 -3.497) 9.170 7.007 ( -0.156 6.236 3.104) 6.967 7.040 ( -0.368 7.039 4.112) 8.160 7.214 ( 3.173 3.965 0.502) 5.103 7.397 ( 2.955 9.865 0.920) 10.339 7.465 ( -3.597 10.250 -3.503) 11.414 7.552 ( 4.989 11.960 1.693) 13.069 7.720 ( -3.507 9.733 -0.405) 10.354 7.898 ( -4.824 12.438 3.190) 13.717 8.010 ( 1.920 15.803 -3.297) 16.257 8.302 ( -2.887 15.764 -1.144) 16.067 8.381 ( 4.321 18.066 6.764) 19.769 8.612 ( 2.546 17.662 -3.852) 18.255 8.886 ( 0.733 12.083 6.975) 13.971 8.970 ( -1.383 5.565 0.119) 5.736 9.293 ( 0.357 10.207 -2.476) 10.509 9.369 ( -0.714 11.535 -3.034) 11.949 9.494 ( -8.327 4.407 0.575) 9.439 9.537 ( 1.300 1.109 -0.731) 1.859 9.602 ( -7.488 8.689 -2.669) 11.777 9.802 ( 2.438 -3.634 1.128) 4.520 9.884 ( 7.564 -0.634 -3.467) 8.344 9.951 ( 9.402 0.057 -5.425) 10.855 10.169 ( 1.445 -13.377 -0.796) 13.478 10.180 ( 1.014 -13.704 -0.343) 13.746 10.383 ( 1.611 -7.188 4.413) 8.587 10.455 ( -0.121 2.643 2.682) 3.767 10.566 ( -4.135 -5.147 -3.410) 7.431 10.703 ( -3.416 -3.172 -6.216) 7.770 10.767 ( -1.071 -7.437 1.326) 7.630 11.045 ( -11.426 10.308 0.844) 15.412 11.300 ( -1.390 3.727 11.183) 11.869 11.393 ( -4.620 4.359 1.644) 6.561 11.455 ( 2.729 -0.008 -6.281) 6.848 11.833 ( -7.803 -1.095 -3.426) 8.592 12.064 ( 3.015 5.796 3.742) 7.529 12.176 ( 5.998 -5.181 -2.739) 8.386 12.211 ( -0.818 11.400 16.450) 20.031 12.294 ( -3.634 11.749 1.039) 12.342 12.523 ( 7.085 -3.696 -0.805) 8.032 12.973 ( -8.940 -2.604 7.144) 11.737 13.262 ( 5.155 -2.760 2.537) 6.374 13.408 ( -0.445 -3.282 -7.459) 8.161 14.325 ( 6.435 3.065 -6.772) 9.832 14.499 ( 8.535 9.909 -12.241) 17.913 14.688 ( -1.209 -4.245 -0.125) 4.416 14.927 ( -1.787 -12.431 -3.196) 12.959 14.988 ( -0.060 -10.552 -3.702) 11.183 15.236 ( -1.024 -0.990 -11.082) 11.174 15.305 ( -0.370 -2.759 -11.290) 11.628 15.384 ( -3.243 -3.845 -20.420) 21.030 16.312 ( 0.700 6.234 10.830) 12.515 16.373 ( -0.359 5.563 12.994) 14.139 16.399 ( 2.349 3.694 16.363) 16.938 16.760 ( -5.802 6.484 -6.732) 11.001 17.609 ( 1.953 10.057 15.405) 18.501 18.065 ( -14.489 -6.067 30.954) 34.712 18.813 ( 8.447 -11.296 -19.246) 23.861 19.213 ( -3.703 -18.955 -7.953) 20.887 21.051 ( 1.723 4.798 0.813) 5.163 21.151 ( 1.899 3.887 -3.676) 5.677 21.349 ( -3.254 6.112 2.959) 7.530 21.427 ( -2.533 7.607 -0.707) 8.049 23.502 ( 0.521 -2.304 1.453) 2.774 23.606 ( 0.436 -8.189 -2.833) 8.677 23.792 ( 4.634 -13.724 3.499) 14.902 23.923 ( 2.003 -19.221 -1.726) 19.402 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 0.377 13.877 2.404) 14.089 2.460 ( -4.569 13.948 3.362) 15.057 2.564 ( 4.110 16.305 -1.277) 16.863 2.661 ( -4.375 10.469 -3.958) 12.016 2.718 ( 3.094 9.295 -2.313) 10.066 2.794 ( -3.542 9.794 -1.483) 10.519 2.988 ( 0.805 10.305 -1.123) 10.398 3.060 ( -5.582 10.619 -1.469) 12.086 3.344 ( 0.862 6.165 1.910) 6.512 3.365 ( -0.909 5.277 -0.763) 5.408 3.474 ( 1.255 8.132 -1.818) 8.427 3.500 ( -1.372 4.914 -4.105) 6.548 3.746 ( 9.068 2.529 4.315) 10.356 3.828 ( 3.063 -0.446 1.857) 3.609 4.029 ( -6.412 5.430 2.060) 8.651 4.047 ( -5.576 3.745 1.775) 6.947 4.226 ( 5.490 8.114 9.426) 13.595 4.246 ( 3.498 11.478 8.197) 14.532 4.321 ( 7.388 3.842 5.679) 10.079 4.567 ( -12.266 6.320 5.642) 14.907 4.967 ( 7.173 13.211 -4.845) 15.794 5.062 ( 3.367 9.320 -4.614) 10.932 5.107 ( -0.325 10.425 -4.445) 11.337 5.211 ( -4.203 10.809 -7.520) 13.822 5.540 ( 3.650 -1.194 0.675) 3.899 5.619 ( -3.666 -1.251 -2.036) 4.376 5.700 ( 1.156 1.480 -3.395) 3.880 5.739 ( -2.893 -0.001 -3.328) 4.409 6.838 ( 4.068 4.651 3.148) 6.935 6.925 ( -4.724 6.635 4.308) 9.214 7.013 ( 6.694 6.829 -2.731) 9.945 7.092 ( 0.994 8.634 0.168) 8.693 7.268 ( 3.853 4.229 -1.403) 5.891 7.376 ( -5.369 6.600 -4.251) 9.510 7.512 ( 7.094 7.494 2.324) 10.578 7.616 ( -1.330 13.752 0.045) 13.816 7.650 ( 0.466 9.146 5.407) 10.635 7.761 ( -8.070 8.822 8.054) 14.416 8.094 ( 6.166 17.699 -9.545) 21.033 8.215 ( -5.887 16.174 -5.497) 18.068 8.503 ( 7.617 22.747 5.048) 24.514 8.619 ( -3.049 22.266 -0.559) 22.480 8.901 ( 1.008 8.610 5.104) 10.060 8.933 ( -2.246 6.943 2.209) 7.625 9.291 ( 0.919 9.186 0.186) 9.234 9.351 ( -4.327 5.559 1.661) 7.238 9.383 ( 1.235 10.557 -1.052) 10.681 9.469 ( -6.260 9.065 -1.344) 11.098 9.645 ( 8.315 -0.824 -5.139) 9.810 9.782 ( -4.674 -3.471 -4.778) 7.532 10.024 ( 6.475 -13.248 -0.782) 14.766 10.121 ( -3.541 -25.770 -1.231) 26.042 10.143 ( 10.089 -1.748 -5.045) 11.415 10.258 ( 2.506 -1.080 -4.931) 5.636 10.371 ( -5.466 0.590 1.424) 5.679 10.387 ( -3.160 7.004 2.670) 8.134 10.566 ( 3.690 -3.775 6.651) 8.492 10.636 ( -2.933 -6.457 1.579) 7.265 10.760 ( 0.948 0.754 -4.605) 4.762 10.844 ( -8.318 9.990 -3.944) 13.585 11.260 ( -1.288 2.763 7.970) 8.533 11.290 ( -4.507 2.007 4.809) 6.889 11.540 ( 6.151 0.447 -6.727) 9.126 11.680 ( -8.152 0.404 -5.737) 9.976 12.129 ( 3.481 6.558 5.980) 9.533 12.186 ( -2.091 10.230 7.365) 12.778 12.252 ( 1.124 2.227 4.883) 5.484 12.255 ( 0.118 2.319 6.103) 6.529 12.663 ( 7.514 -4.716 1.899) 9.072 12.810 ( -8.125 -3.450 5.083) 10.186 13.341 ( 3.294 -1.852 -2.926) 4.780 13.389 ( -1.708 -2.358 -6.416) 7.046 14.480 ( 8.954 3.920 -6.952) 11.995 14.621 ( -4.267 0.507 -1.375) 4.512 14.690 ( 8.110 -2.152 -5.252) 9.899 14.837 ( -6.708 -9.873 -1.043) 11.982 15.049 ( 6.025 -6.202 -12.083) 14.858 15.178 ( -5.823 -0.848 -16.781) 17.783 15.302 ( 0.252 -3.388 -11.742) 12.223 15.322 ( -2.210 -3.450 -14.810) 15.367 16.330 ( 1.173 6.107 10.302) 12.034 16.354 ( -1.257 6.304 10.179) 12.038 16.479 ( 5.897 3.726 14.882) 16.435 16.618 ( -8.252 4.992 4.981) 10.855 17.673 ( 5.052 8.156 19.490) 21.723 17.816 ( -10.465 3.337 25.897) 28.130 18.970 ( 7.908 -14.727 -17.166) 23.960 19.111 ( -6.715 -17.268 -13.179) 22.736 21.102 ( 3.581 6.431 1.067) 7.438 21.165 ( -1.764 6.576 -1.414) 6.954 21.309 ( 0.699 5.431 1.641) 5.716 21.364 ( -3.799 6.396 -0.590) 7.462 23.535 ( 2.532 -5.524 1.218) 6.198 23.583 ( -2.276 -8.617 -0.428) 8.922 23.894 ( 4.722 -15.914 0.635) 16.612 23.944 ( -0.462 -18.343 -1.052) 18.379 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.000 3.522 -2.662) 4.414 2.669 ( 0.000 3.042 -5.850) 6.593 2.797 ( 0.000 10.719 -2.201) 10.943 2.889 ( 0.000 11.523 -5.541) 12.786 3.053 ( 0.000 -0.304 7.650) 7.656 3.069 ( 0.000 7.598 6.081) 9.732 3.187 ( 0.000 3.796 5.374) 6.580 3.247 ( 0.000 4.568 -2.358) 5.141 3.317 ( 0.000 7.283 0.916) 7.340 3.449 ( 0.000 -1.687 -5.151) 5.420 3.539 ( 0.000 5.701 3.417) 6.646 3.559 ( 0.000 5.004 -0.378) 5.019 3.699 ( 0.000 3.371 0.830) 3.471 3.725 ( 0.000 1.470 -1.269) 1.942 3.887 ( 0.000 -1.606 10.351) 10.475 4.157 ( 0.000 -4.770 4.565) 6.602 4.394 ( 0.000 5.507 1.734) 5.773 4.482 ( 0.000 6.353 -1.073) 6.443 4.527 ( 0.000 11.640 -0.697) 11.661 4.862 ( 0.000 3.526 -6.688) 7.560 4.999 ( 0.000 7.330 3.938) 8.321 5.013 ( 0.000 4.332 1.522) 4.591 5.210 ( 0.000 4.601 -0.833) 4.675 5.334 ( 0.000 2.198 -1.697) 2.777 5.640 ( 0.000 10.843 -3.031) 11.258 5.786 ( 0.000 6.332 0.410) 6.346 5.819 ( 0.000 2.045 -2.663) 3.358 5.883 ( 0.000 4.860 -6.951) 8.481 6.833 ( 0.000 10.143 3.567) 10.752 7.012 ( 0.000 9.590 -3.466) 10.198 7.136 ( 0.000 4.762 1.759) 5.077 7.160 ( 0.000 6.940 -0.804) 6.986 7.252 ( 0.000 4.460 7.806) 8.990 7.629 ( 0.000 5.922 -2.386) 6.385 7.640 ( 0.000 10.838 10.429) 15.041 7.657 ( 0.000 2.772 -3.424) 4.405 7.846 ( 0.000 1.337 -3.827) 4.054 8.148 ( 0.000 5.156 8.657) 10.076 8.292 ( 0.000 12.822 -9.806) 16.142 8.562 ( 0.000 3.763 -1.818) 4.179 8.659 ( 0.000 14.458 0.475) 14.466 8.865 ( 0.000 11.384 -3.488) 11.906 9.015 ( 0.000 0.636 7.556) 7.583 9.144 ( 0.000 9.957 2.058) 10.167 9.250 ( 0.000 -18.527 -1.630) 18.599 9.418 ( 0.000 2.175 0.131) 2.179 9.545 ( 0.000 -1.542 2.365) 2.823 9.563 ( 0.000 -13.311 -4.402) 14.021 9.575 ( 0.000 -11.060 -3.660) 11.650 9.650 ( 0.000 -0.873 -12.045) 12.077 9.784 ( 0.000 4.285 -5.850) 7.252 9.944 ( 0.000 -3.235 -10.726) 11.203 10.097 ( 0.000 13.847 3.406) 14.260 10.175 ( 0.000 7.003 4.026) 8.078 10.407 ( 0.000 8.002 12.134) 14.534 10.497 ( 0.000 -3.313 -0.137) 3.316 10.557 ( 0.000 0.324 -1.102) 1.148 10.708 ( 0.000 -0.712 3.916) 3.980 10.736 ( 0.000 11.281 1.092) 11.333 11.164 ( 0.000 -4.593 10.133) 11.126 11.287 ( 0.000 -8.063 -15.775) 17.717 11.649 ( 0.000 5.407 -4.013) 6.734 11.676 ( 0.000 12.957 2.907) 13.279 11.722 ( 0.000 -5.788 -8.097) 9.953 12.078 ( 0.000 7.730 1.249) 7.830 12.122 ( 0.000 -0.211 1.026) 1.047 12.342 ( 0.000 1.451 6.772) 6.926 12.418 ( 0.000 5.774 11.295) 12.685 12.675 ( 0.000 11.692 7.939) 14.132 13.043 ( 0.000 -4.872 9.930) 11.061 13.107 ( 0.000 -1.098 4.559) 4.689 13.293 ( 0.000 -7.615 1.053) 7.687 14.216 ( 0.000 -3.164 1.264) 3.407 14.497 ( 0.000 -11.128 6.837) 13.061 14.599 ( 0.000 -4.995 4.288) 6.583 14.754 ( 0.000 -11.662 0.904) 11.696 14.866 ( 0.000 12.377 -29.878) 32.340 15.242 ( 0.000 1.337 -20.029) 20.074 15.312 ( 0.000 2.040 -18.234) 18.348 15.389 ( 0.000 0.697 -26.510) 26.519 16.432 ( 0.000 4.025 25.467) 25.783 16.454 ( 0.000 6.578 15.854) 17.165 16.544 ( 0.000 7.577 12.352) 14.491 16.881 ( 0.000 -1.005 2.739) 2.917 17.839 ( 0.000 13.070 5.478) 14.172 18.108 ( 0.000 0.782 17.886) 17.903 18.536 ( 0.000 -8.960 -18.317) 20.391 18.856 ( 0.000 -18.390 -6.815) 19.612 21.089 ( 0.000 1.713 0.601) 1.816 21.154 ( 0.000 0.084 -2.225) 2.227 21.432 ( 0.000 -0.575 2.483) 2.549 21.518 ( 0.000 -1.039 -1.037) 1.467 23.463 ( 0.000 -7.202 0.609) 7.227 23.476 ( 0.000 -1.791 0.106) 1.794 23.549 ( 0.000 -4.674 0.293) 4.683 23.571 ( 0.000 -11.932 -0.447) 11.941 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -0.793 5.078 -0.794) 5.201 2.735 ( 4.409 3.631 -6.595) 8.725 2.807 ( 1.167 12.059 -1.205) 12.175 2.896 ( -4.436 12.606 -1.363) 13.433 2.926 ( -1.563 6.187 0.581) 6.407 3.067 ( -7.479 4.850 0.627) 8.936 3.153 ( 1.348 5.246 7.708) 9.421 3.288 ( -0.985 7.939 -1.011) 8.064 3.364 ( 4.992 0.250 0.303) 5.007 3.449 ( 1.032 -3.378 -4.293) 5.560 3.506 ( -2.496 5.594 3.317) 6.967 3.584 ( 1.277 4.545 -0.115) 4.722 3.722 ( 2.612 4.389 0.907) 5.187 3.747 ( 2.595 -0.679 0.161) 2.687 3.953 ( 5.779 -3.623 8.793) 11.128 4.140 ( -2.298 -4.661 3.618) 6.332 4.336 ( -3.499 7.832 1.774) 8.759 4.431 ( -4.661 5.850 2.006) 7.744 4.496 ( -2.076 9.102 2.913) 9.779 4.837 ( -8.140 -1.052 -2.995) 8.737 5.017 ( 9.421 10.133 0.187) 13.837 5.114 ( 6.007 7.674 -0.263) 9.749 5.271 ( 5.165 5.295 -1.589) 7.566 5.355 ( 2.164 2.956 -3.917) 5.363 5.615 ( -2.409 9.562 -1.470) 9.970 5.743 ( -3.913 4.968 -0.412) 6.337 5.802 ( -2.658 2.897 -2.169) 4.491 5.831 ( -4.172 3.649 -6.929) 8.873 6.884 ( 4.624 10.007 3.571) 11.588 7.053 ( 4.123 8.562 -3.492) 10.125 7.140 ( -0.893 7.023 1.808) 7.307 7.191 ( 3.322 7.169 3.014) 8.456 7.272 ( 2.585 2.790 4.020) 5.535 7.585 ( -4.792 3.135 -6.278) 8.497 7.606 ( -0.274 9.079 4.433) 10.107 7.714 ( 3.878 5.616 6.467) 9.402 7.828 ( -2.516 2.238 -1.804) 3.820 8.071 ( -6.101 6.107 8.901) 12.400 8.341 ( 3.680 12.261 -13.219) 18.402 8.590 ( -1.016 7.071 -7.814) 10.587 8.684 ( 5.883 11.094 5.652) 13.771 8.893 ( 2.442 10.579 -0.880) 10.893 8.992 ( -1.968 -0.960 7.457) 7.772 9.143 ( -0.938 9.257 2.397) 9.608 9.280 ( 3.172 -15.045 -1.352) 15.435 9.419 ( 0.159 0.412 -3.370) 3.398 9.512 ( -2.864 -4.587 -2.323) 5.885 9.557 ( 0.938 -8.002 -2.276) 8.372 9.610 ( 1.209 -5.867 -2.601) 6.531 9.670 ( 2.390 -1.571 -6.348) 6.963 9.742 ( -3.510 4.295 -5.514) 7.821 9.933 ( -1.756 -0.846 -9.356) 9.557 10.076 ( -1.766 6.972 1.411) 7.330 10.171 ( 0.711 4.365 2.750) 5.208 10.412 ( -2.661 -1.014 6.602) 7.190 10.472 ( 0.602 2.632 3.965) 4.797 10.584 ( 0.441 -2.133 -1.297) 2.535 10.663 ( -2.788 4.142 6.258) 8.006 10.808 ( 6.717 12.063 -0.249) 13.810 11.129 ( -2.455 0.389 5.148) 5.717 11.332 ( 3.833 -7.284 -13.390) 15.718 11.553 ( -7.724 7.304 1.704) 10.766 11.581 ( -7.638 4.889 -4.208) 9.997 11.722 ( -2.414 1.231 -3.472) 4.404 12.138 ( 3.503 1.664 2.912) 4.850 12.162 ( 5.286 3.764 0.750) 6.532 12.320 ( -2.067 2.042 6.764) 7.361 12.415 ( -0.847 4.472 7.798) 9.029 12.668 ( 0.174 10.869 10.392) 15.039 12.944 ( -6.671 -0.475 10.139) 12.146 13.185 ( 4.563 -4.536 3.656) 7.400 13.295 ( 0.090 -7.538 0.638) 7.565 14.285 ( 6.560 -4.140 0.852) 7.804 14.507 ( 0.998 -10.631 6.605) 12.555 14.591 ( -0.908 -6.151 5.018) 7.989 14.708 ( -4.089 -10.528 -0.349) 11.299 14.935 ( 6.347 10.539 -28.510) 31.051 15.248 ( 0.490 1.744 -20.038) 20.120 15.305 ( -0.809 2.145 -18.820) 18.959 15.361 ( -2.813 1.035 -26.788) 26.955 16.439 ( 0.903 5.210 20.466) 21.138 16.479 ( 2.504 5.228 19.457) 20.302 16.534 ( -1.003 7.369 12.678) 14.698 16.820 ( -5.960 -0.452 6.560) 8.874 17.849 ( 1.156 12.890 6.023) 14.275 18.048 ( -5.118 4.513 15.007) 16.485 18.585 ( 4.350 -10.942 -16.444) 20.225 18.833 ( -2.458 -17.799 -8.183) 19.743 21.112 ( 2.421 1.788 0.835) 3.124 21.187 ( 3.081 0.154 -2.389) 3.902 21.398 ( -3.217 -0.431 2.715) 4.231 21.488 ( -3.117 -1.127 -1.029) 3.470 23.454 ( -0.632 -6.321 0.476) 6.370 23.461 ( -0.959 -1.830 0.223) 2.078 23.586 ( 2.899 -6.729 0.150) 7.328 23.600 ( 2.355 -12.002 -0.293) 12.234 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 4.210 9.023 0.941) 10.002 2.746 ( -7.312 11.081 0.970) 13.311 2.820 ( 4.495 5.325 -5.018) 8.587 2.862 ( 3.085 12.074 -0.409) 12.469 2.922 ( -3.324 10.653 -0.443) 11.169 2.944 ( -4.133 5.642 -1.957) 7.263 3.164 ( 2.194 6.433 1.223) 6.906 3.240 ( -4.425 6.913 -2.320) 8.530 3.409 ( 1.974 0.717 -0.336) 2.127 3.455 ( -2.582 3.283 2.188) 4.715 3.526 ( 4.482 -2.050 0.012) 4.928 3.584 ( -1.481 1.587 -0.163) 2.177 3.798 ( 4.396 2.631 2.010) 5.504 3.812 ( 3.101 -0.365 1.845) 3.627 4.016 ( -0.043 -5.170 2.057) 5.565 4.058 ( -5.237 -2.960 0.364) 6.027 4.369 ( 6.191 6.575 6.138) 10.920 4.401 ( 3.950 4.593 5.951) 8.492 4.440 ( -3.211 6.642 6.590) 9.892 4.623 ( -13.289 0.714 3.816) 13.845 5.226 ( 8.691 10.600 -5.170) 14.649 5.235 ( 8.049 7.988 -3.196) 11.782 5.321 ( -0.857 8.958 -3.790) 9.764 5.392 ( -1.566 5.590 -7.628) 9.585 5.575 ( 0.368 5.407 1.985) 5.771 5.649 ( -5.364 3.523 -0.054) 6.418 5.742 ( -1.400 2.074 -3.826) 4.572 5.766 ( -2.988 1.850 -3.811) 5.184 6.978 ( 4.926 9.224 3.799) 11.126 7.070 ( -4.545 7.605 3.258) 9.439 7.165 ( 6.482 7.308 -2.435) 10.068 7.267 ( -1.812 7.044 -1.120) 7.359 7.330 ( 7.093 3.562 2.999) 8.485 7.473 ( -6.439 3.609 -2.872) 7.920 7.652 ( 3.979 7.376 3.509) 9.085 7.739 ( -4.223 3.899 3.815) 6.899 7.809 ( 5.015 4.743 4.273) 8.118 7.940 ( -7.541 6.104 7.631) 12.344 8.423 ( 5.018 11.437 -14.117) 18.848 8.523 ( -4.967 10.512 -11.582) 16.411 8.833 ( 7.259 4.600 5.563) 10.237 8.924 ( -2.014 5.978 4.457) 7.724 8.979 ( 3.681 2.893 4.869) 6.755 9.085 ( -5.250 8.555 2.910) 10.450 9.357 ( 4.105 -8.509 -2.294) 9.722 9.419 ( -1.786 -1.549 -5.050) 5.576 9.470 ( 1.314 -1.720 -3.574) 4.179 9.550 ( -4.177 -3.111 -1.553) 5.435 9.631 ( 2.929 -0.994 -1.114) 3.287 9.680 ( -1.920 -0.692 -4.642) 5.071 9.755 ( 5.191 -0.051 -2.573) 5.794 9.862 ( -5.415 1.025 -4.459) 7.090 10.077 ( 3.035 -0.971 -3.410) 4.667 10.168 ( -3.842 -1.302 -4.173) 5.820 10.360 ( 2.167 -4.538 3.549) 6.155 10.470 ( -6.114 -2.520 2.545) 7.086 10.565 ( 3.329 2.850 5.268) 6.852 10.635 ( -2.368 5.400 10.277) 11.848 10.967 ( 8.930 12.970 -4.296) 16.322 11.090 ( -2.935 10.031 -3.050) 10.888 11.368 ( -1.103 3.116 -5.462) 6.385 11.426 ( -6.661 9.367 3.215) 11.935 11.495 ( 4.125 -3.867 -4.285) 7.095 11.623 ( -7.176 -2.080 -3.497) 8.249 12.207 ( 3.689 2.251 4.128) 5.976 12.263 ( 0.662 3.310 4.447) 5.583 12.282 ( 1.972 1.996 3.921) 4.821 12.368 ( -3.988 3.371 3.856) 6.491 12.711 ( 4.356 7.446 12.625) 15.291 12.818 ( -6.421 3.456 11.679) 13.768 13.255 ( 2.757 -6.187 1.198) 6.879 13.289 ( -0.887 -7.104 0.222) 7.163 14.431 ( 7.867 -5.980 0.212) 9.884 14.526 ( -0.234 -8.370 4.298) 9.412 14.568 ( -0.876 -8.742 5.848) 10.555 14.613 ( -5.199 -10.509 2.521) 11.993 15.083 ( 8.590 7.888 -28.658) 30.940 15.226 ( -5.036 4.564 -25.175) 26.076 15.286 ( 0.141 1.371 -20.714) 20.760 15.307 ( -1.840 1.409 -21.619) 21.742 16.466 ( 1.816 6.311 15.877) 17.182 16.501 ( -1.624 6.952 13.965) 15.684 16.558 ( 5.103 3.454 19.512) 20.462 16.683 ( -7.632 1.334 14.551) 16.485 17.885 ( 2.643 12.046 7.740) 14.560 17.952 ( -4.480 9.535 10.839) 15.115 18.677 ( 4.980 -13.723 -14.024) 20.243 18.767 ( -4.299 -16.087 -11.167) 20.049 21.178 ( 4.172 1.857 0.901) 4.654 21.237 ( 0.010 1.327 -1.633) 2.104 21.346 ( -0.012 -1.151 2.028) 2.332 21.410 ( -4.675 -1.325 -0.684) 4.907 23.447 ( -0.096 -4.535 0.379) 4.552 23.449 ( -0.323 -2.916 0.315) 2.950 23.633 ( 1.549 -9.815 -0.007) 9.936 23.637 ( 1.100 -11.641 -0.139) 11.693 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.000 0.985 -0.316) 1.035 2.687 ( 0.000 -0.700 -2.539) 2.634 2.963 ( 0.000 4.397 -0.717) 4.455 3.000 ( 0.000 0.434 0.828) 0.934 3.071 ( 0.000 2.016 3.096) 3.694 3.098 ( 0.000 -0.045 1.983) 1.983 3.285 ( 0.000 1.077 -3.855) 4.002 3.298 ( 0.000 0.933 -5.197) 5.280 3.492 ( 0.000 8.179 1.433) 8.304 3.499 ( 0.000 6.648 -0.077) 6.648 3.599 ( 0.000 -0.070 2.693) 2.694 3.628 ( 0.000 -0.161 0.301) 0.341 3.703 ( 0.000 -1.550 3.686) 3.998 3.723 ( 0.000 -1.308 0.804) 1.535 3.882 ( 0.000 3.045 7.471) 8.068 4.010 ( 0.000 -8.313 3.799) 9.140 4.496 ( 0.000 3.914 1.594) 4.226 4.539 ( 0.000 -0.001 0.847) 0.847 4.729 ( 0.000 8.266 -5.268) 9.802 4.858 ( 0.000 -3.841 -8.753) 9.559 5.087 ( 0.000 2.862 3.637) 4.628 5.102 ( 0.000 2.034 3.678) 4.203 5.307 ( 0.000 3.979 0.744) 4.048 5.352 ( 0.000 -0.406 1.387) 1.445 5.836 ( 0.000 6.675 -5.575) 8.697 5.866 ( 0.000 1.749 -2.710) 3.225 5.878 ( 0.000 2.709 -0.000) 2.709 5.929 ( 0.000 -0.630 -4.654) 4.696 7.080 ( 0.000 10.806 2.769) 11.155 7.165 ( 0.000 2.370 -0.025) 2.370 7.237 ( 0.000 5.615 0.215) 5.619 7.272 ( 0.000 2.950 -1.047) 3.130 7.369 ( 0.000 7.541 5.250) 9.189 7.565 ( 0.000 -8.969 -1.986) 9.186 7.741 ( 0.000 3.287 0.026) 3.287 7.802 ( 0.000 -1.924 1.886) 2.694 7.935 ( 0.000 15.289 4.569) 15.958 8.257 ( 0.000 6.158 3.886) 7.282 8.296 ( 0.000 -15.224 -2.091) 15.367 8.418 ( 0.000 -9.904 1.565) 10.027 8.929 ( 0.000 11.765 -1.787) 11.900 9.014 ( 0.000 2.258 1.899) 2.950 9.021 ( 0.000 2.372 -2.091) 3.162 9.194 ( 0.000 11.450 3.997) 12.128 9.242 ( 0.000 -12.784 -7.266) 14.704 9.279 ( 0.000 3.113 -8.098) 8.675 9.360 ( 0.000 -4.395 -7.724) 8.887 9.411 ( 0.000 -8.041 -5.191) 9.571 9.605 ( 0.000 2.255 2.941) 3.707 9.645 ( 0.000 -1.446 3.327) 3.628 9.853 ( 0.000 1.976 -9.907) 10.102 9.883 ( 0.000 -1.435 -12.071) 12.156 10.266 ( 0.000 2.091 6.902) 7.212 10.285 ( 0.000 2.380 4.667) 5.239 10.439 ( 0.000 2.076 3.352) 3.942 10.529 ( 0.000 -2.933 1.513) 3.300 10.625 ( 0.000 11.494 1.361) 11.574 10.826 ( 0.000 13.045 7.015) 14.812 10.859 ( 0.000 -6.490 -3.637) 7.439 11.122 ( 0.000 -6.420 2.263) 6.807 11.153 ( 0.000 2.406 0.593) 2.478 11.264 ( 0.000 -17.074 -10.390) 19.987 11.894 ( 0.000 7.510 4.979) 9.010 11.954 ( 0.000 3.397 1.139) 3.583 12.158 ( 0.000 5.721 0.064) 5.721 12.210 ( 0.000 2.914 -1.661) 3.355 12.408 ( 0.000 3.314 5.769) 6.653 12.458 ( 0.000 -1.135 4.447) 4.590 12.871 ( 0.000 8.415 9.886) 12.982 12.978 ( 0.000 -1.636 8.186) 8.348 13.067 ( 0.000 -2.199 5.876) 6.274 13.118 ( 0.000 -8.296 6.668) 10.643 14.187 ( 0.000 1.203 4.088) 4.261 14.282 ( 0.000 -8.132 5.041) 9.568 14.513 ( 0.000 -1.332 5.194) 5.362 14.565 ( 0.000 -6.261 2.941) 6.918 15.128 ( 0.000 10.071 -29.008) 30.707 15.249 ( 0.000 -1.973 -25.494) 25.570 15.369 ( 0.000 2.858 -21.401) 21.591 15.403 ( 0.000 -0.191 -24.705) 24.706 16.511 ( 0.000 3.177 23.177) 23.394 16.537 ( 0.000 1.187 19.460) 19.496 16.687 ( 0.000 6.453 13.630) 15.080 16.808 ( 0.000 -5.209 12.257) 13.317 18.105 ( 0.000 12.493 -1.906) 12.637 18.238 ( 0.000 10.619 2.328) 10.871 18.340 ( 0.000 -10.404 -10.405) 14.714 18.508 ( 0.000 -15.374 -4.664) 16.066 21.118 ( 0.000 1.309 0.504) 1.402 21.143 ( 0.000 -1.015 -0.420) 1.098 21.414 ( 0.000 0.113 0.855) 0.862 21.457 ( 0.000 -3.608 -0.680) 3.672 23.359 ( 0.000 -2.159 0.544) 2.226 23.384 ( 0.000 -4.617 -0.377) 4.633 23.472 ( 0.000 -0.228 0.546) 0.592 23.490 ( 0.000 -1.813 -0.102) 1.816 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 3.436 4.050 -0.452) 5.330 2.754 ( 5.283 -1.624 -3.745) 6.676 2.982 ( 0.288 3.611 1.716) 4.008 3.005 ( -0.684 3.875 0.931) 4.043 3.054 ( -0.090 -0.685 1.632) 1.772 3.067 ( -0.734 1.372 -2.684) 3.102 3.291 ( 0.849 4.675 -1.520) 4.989 3.360 ( 4.218 -2.534 -2.834) 5.678 3.438 ( -3.872 6.318 0.525) 7.429 3.459 ( -4.258 6.421 -0.262) 7.709 3.556 ( -3.774 -0.738 2.848) 4.785 3.604 ( -2.531 -3.322 1.204) 4.347 3.742 ( 4.283 1.411 2.290) 5.057 3.774 ( 3.648 -0.212 0.385) 3.674 3.901 ( 1.584 0.843 6.861) 7.092 4.001 ( -1.168 -7.491 3.349) 8.288 4.461 ( -2.242 4.082 2.087) 5.103 4.496 ( -3.263 0.723 1.552) 3.685 4.662 ( -5.494 7.125 0.604) 9.018 4.781 ( -7.391 -4.322 -2.095) 8.815 5.173 ( 8.926 4.864 -0.550) 10.180 5.210 ( 8.279 1.403 -0.868) 8.442 5.365 ( 5.308 3.258 -0.733) 6.271 5.391 ( 3.738 0.591 -0.773) 3.862 5.795 ( -4.121 6.520 -4.473) 8.916 5.826 ( -4.228 2.997 -0.454) 5.203 5.847 ( -2.965 0.719 -1.363) 3.342 5.871 ( -5.462 -0.418 -5.186) 7.543 7.117 ( 3.070 9.621 1.107) 10.160 7.182 ( 1.649 2.625 -1.813) 3.591 7.281 ( 3.120 5.998 2.617) 7.249 7.308 ( 1.431 3.321 3.519) 5.046 7.353 ( 1.819 6.018 2.947) 6.944 7.531 ( -2.218 -7.770 -3.767) 8.915 7.738 ( -0.418 3.371 0.797) 3.489 7.808 ( -0.721 -2.638 0.430) 2.768 7.936 ( 0.690 15.815 6.563) 17.137 8.205 ( -4.677 8.240 5.348) 10.880 8.306 ( 1.125 -16.196 -1.870) 16.343 8.435 ( 0.351 -13.168 -0.288) 13.176 8.942 ( 1.387 12.341 -0.965) 12.456 9.016 ( 1.485 6.464 -0.658) 6.664 9.077 ( 2.966 2.132 0.270) 3.662 9.190 ( 1.613 6.918 1.388) 7.237 9.239 ( -0.592 -8.612 -5.291) 10.125 9.290 ( 0.293 -0.400 -7.765) 7.780 9.347 ( -0.615 -5.050 -9.206) 10.518 9.424 ( 1.015 -6.899 -6.661) 9.643 9.627 ( 2.595 3.614 3.648) 5.754 9.691 ( 3.897 -1.442 2.582) 4.892 9.827 ( -2.090 2.989 -7.514) 8.353 9.879 ( -0.746 -2.370 -9.739) 10.051 10.212 ( -4.227 4.825 4.567) 7.875 10.269 ( -1.524 0.092 5.426) 5.636 10.361 ( -6.782 3.177 2.503) 7.896 10.482 ( -5.136 -5.746 0.727) 7.741 10.652 ( 2.490 11.012 1.420) 11.379 10.825 ( -0.679 13.030 6.161) 14.429 10.891 ( 3.253 -8.735 -5.076) 10.614 11.141 ( -1.100 -8.396 1.432) 8.588 11.229 ( 8.862 1.227 -0.206) 8.949 11.276 ( 3.148 -8.697 -6.658) 11.396 11.809 ( -8.021 8.300 4.364) 12.340 11.880 ( -7.345 2.712 1.100) 7.906 12.198 ( 3.568 5.204 1.490) 6.483 12.249 ( 3.458 1.843 -0.162) 3.922 12.389 ( -1.869 3.556 5.377) 6.712 12.444 ( -1.553 -1.273 3.648) 4.164 12.872 ( 0.267 9.428 10.479) 14.098 12.959 ( -1.552 1.897 8.425) 8.774 13.082 ( 1.070 -4.999 5.323) 7.381 13.113 ( -0.379 -9.291 6.244) 11.201 14.232 ( 4.346 0.001 3.636) 5.667 14.306 ( 2.390 -7.327 4.832) 9.096 14.491 ( -2.235 -1.904 4.937) 5.744 14.532 ( -3.283 -5.785 2.599) 7.142 15.163 ( 3.348 8.809 -28.201) 29.733 15.265 ( 1.496 -1.336 -24.838) 24.919 15.360 ( -0.944 2.524 -21.748) 21.914 15.384 ( -1.914 0.326 -24.982) 25.057 16.526 ( 1.573 3.169 22.006) 22.288 16.551 ( 1.510 1.110 19.298) 19.389 16.669 ( -1.864 5.735 14.147) 15.378 16.769 ( -3.851 -3.991 13.707) 14.786 18.115 ( 1.095 12.681 -1.652) 12.835 18.220 ( -1.658 11.311 1.339) 11.510 18.361 ( 2.008 -11.158 -9.470) 14.772 18.494 ( -1.416 -15.085 -5.275) 16.043 21.143 ( 2.534 1.465 0.581) 2.984 21.173 ( 2.958 -1.285 -0.540) 3.270 21.383 ( -3.097 0.211 0.926) 3.239 21.426 ( -3.071 -3.560 -0.646) 4.746 23.370 ( 1.169 -1.369 0.617) 1.903 23.403 ( 1.611 -4.148 -0.643) 4.496 23.465 ( -0.576 -0.743 0.846) 1.265 23.492 ( 0.012 -2.919 -0.209) 2.927 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 6.238 6.010 -1.389) 8.773 2.860 ( 5.442 -0.661 -4.274) 6.951 2.904 ( -5.426 4.674 -0.457) 7.176 2.965 ( -5.242 -1.124 -1.755) 5.641 3.082 ( 5.900 8.643 0.971) 10.510 3.158 ( 4.071 5.796 -1.423) 7.224 3.248 ( -3.252 4.071 2.937) 5.981 3.339 ( -6.970 0.930 -1.469) 7.184 3.417 ( 2.125 1.703 -0.389) 2.751 3.455 ( 3.821 -2.933 0.563) 4.850 3.481 ( -3.128 -0.383 2.060) 3.765 3.542 ( -3.965 -4.644 1.132) 6.210 3.827 ( 4.002 1.661 1.402) 4.554 3.846 ( 3.192 1.553 0.721) 3.622 3.914 ( -0.211 -2.973 2.721) 4.036 3.956 ( -3.496 -5.253 1.181) 6.419 4.472 ( 2.184 2.617 4.355) 5.531 4.474 ( 3.779 2.290 4.719) 6.465 4.551 ( -5.581 4.376 5.206) 8.798 4.615 ( -9.120 -1.685 3.824) 10.032 5.361 ( 9.176 3.883 -4.430) 10.904 5.371 ( 7.835 3.211 -4.443) 9.562 5.449 ( 0.962 3.149 -3.933) 5.130 5.459 ( 1.765 1.617 -4.799) 5.363 5.705 ( -3.588 5.493 -0.914) 6.625 5.730 ( -4.971 3.722 0.179) 6.213 5.765 ( -3.105 -0.387 -2.254) 3.856 5.782 ( -3.689 -0.858 -2.468) 4.521 7.171 ( 2.651 7.557 0.211) 8.011 7.215 ( -0.335 5.468 -0.875) 5.547 7.260 ( 0.552 1.555 1.439) 2.189 7.319 ( -3.061 -1.051 1.636) 3.626 7.469 ( 8.276 8.351 3.617) 12.300 7.554 ( 2.228 3.769 -1.691) 4.694 7.704 ( -1.697 -2.773 2.886) 4.348 7.757 ( -4.339 -3.916 -0.291) 5.852 7.985 ( 4.525 15.067 6.970) 17.206 8.095 ( -6.480 11.727 6.250) 14.784 8.345 ( 3.011 -17.002 -2.078) 17.391 8.407 ( -2.956 -16.441 -2.052) 16.830 8.979 ( 2.370 11.951 -0.287) 12.187 9.022 ( -1.637 10.823 -0.020) 10.946 9.129 ( 3.652 2.490 1.006) 4.533 9.200 ( -3.323 -1.153 -0.262) 3.527 9.269 ( 4.190 0.064 -5.258) 6.724 9.316 ( 0.672 -3.489 -8.711) 9.408 9.340 ( 2.140 -6.063 -10.931) 12.682 9.417 ( -2.643 -7.426 -8.425) 11.537 9.701 ( 4.635 5.162 3.506) 7.773 9.755 ( 0.949 2.748 -1.256) 3.167 9.797 ( 0.333 0.903 0.520) 1.094 9.847 ( -2.798 -2.486 -3.793) 5.329 10.158 ( -0.085 6.427 1.033) 6.510 10.225 ( -6.448 4.716 0.743) 8.023 10.265 ( 2.135 -4.132 3.573) 5.865 10.358 ( -6.854 -6.762 1.057) 9.686 10.712 ( 3.728 10.850 1.807) 11.614 10.784 ( -3.427 11.433 3.519) 12.443 10.974 ( 5.158 -11.800 -6.015) 14.213 11.075 ( -5.025 -13.197 -4.685) 14.878 11.406 ( 10.007 4.882 -0.104) 11.135 11.446 ( 12.255 1.577 1.445) 12.441 11.622 ( -10.749 7.525 4.030) 13.726 11.693 ( -11.735 1.780 2.155) 12.064 12.273 ( 3.934 4.235 3.235) 6.624 12.323 ( 4.058 0.474 1.698) 4.425 12.341 ( -3.095 3.790 4.355) 6.551 12.397 ( -3.381 -0.775 2.500) 4.275 12.889 ( 1.564 9.703 10.603) 14.457 12.925 ( -1.992 6.990 9.610) 12.049 13.099 ( 0.643 -8.763 4.647) 9.940 13.108 ( -0.310 -10.125 5.134) 11.356 14.333 ( 5.859 -2.227 2.864) 6.891 14.366 ( 3.677 -5.441 4.379) 7.893 14.433 ( -3.805 -3.293 4.334) 6.641 14.450 ( -5.012 -4.806 2.746) 7.467 15.241 ( 4.558 5.904 -26.813) 27.832 15.298 ( 1.524 0.613 -23.515) 23.572 15.326 ( -2.907 2.166 -25.193) 25.452 15.340 ( -2.012 0.970 -23.205) 23.313 16.568 ( 2.678 3.393 18.576) 19.073 16.596 ( 3.015 0.950 18.810) 19.073 16.624 ( -2.388 3.858 15.905) 16.540 16.680 ( -4.914 -1.474 16.897) 17.659 18.144 ( 1.872 12.905 -0.929) 13.073 18.183 ( -2.108 12.515 0.120) 12.692 18.407 ( 2.660 -12.812 -8.198) 15.441 18.457 ( -2.420 -14.208 -6.699) 15.893 21.209 ( 4.227 1.738 0.583) 4.608 21.244 ( 3.738 -0.788 -0.872) 3.918 21.310 ( -3.712 -0.600 1.161) 3.936 21.349 ( -4.660 -3.468 -0.448) 5.826 23.399 ( 1.646 0.051 0.503) 1.722 23.422 ( -0.314 0.029 -0.387) 0.499 23.464 ( 0.878 -5.018 0.652) 5.136 23.484 ( -0.856 -4.820 -0.157) 4.898 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 0.000 -28.070) 28.070 1.269 ( 0.000 0.000 28.070) 28.070 1.500 ( 0.000 0.000 -29.435) 29.435 1.500 ( 0.000 0.000 29.435) 29.435 2.169 ( 0.000 0.000 -14.254) 14.254 2.169 ( 0.000 0.000 14.254) 14.254 2.485 ( 0.000 0.000 -18.142) 18.142 2.485 ( 0.000 0.000 18.142) 18.142 2.765 ( 0.000 0.000 -6.493) 6.493 2.765 ( 0.000 0.000 6.493) 6.493 2.924 ( 0.000 0.000 -13.964) 13.964 2.924 ( 0.000 0.000 13.964) 13.964 3.094 ( 0.000 0.000 -6.344) 6.344 3.094 ( 0.000 0.000 6.344) 6.344 3.301 ( 0.000 0.000 -1.614) 1.614 3.301 ( 0.000 0.000 1.614) 1.614 3.482 ( 0.000 0.000 -6.006) 6.006 3.482 ( 0.000 0.000 6.006) 6.006 3.897 ( 0.000 0.000 -14.146) 14.146 3.897 ( 0.000 0.000 14.146) 14.146 4.602 ( 0.000 0.000 -0.972) 0.972 4.602 ( 0.000 0.000 0.972) 0.972 4.631 ( 0.000 0.000 -8.969) 8.969 4.631 ( 0.000 0.000 8.969) 8.969 4.895 ( 0.000 0.000 -7.700) 7.700 4.895 ( 0.000 0.000 7.700) 7.700 4.976 ( 0.000 0.000 -1.500) 1.500 4.976 ( 0.000 0.000 1.500) 1.500 5.578 ( 0.000 0.000 -1.078) 1.078 5.578 ( 0.000 0.000 1.078) 1.078 6.269 ( 0.000 0.000 -0.475) 0.475 6.269 ( 0.000 0.000 0.475) 0.475 6.790 ( 0.000 0.000 -6.721) 6.721 6.790 ( 0.000 0.000 6.721) 6.721 7.070 ( 0.000 0.000 -1.038) 1.038 7.070 ( 0.000 0.000 1.038) 1.038 7.257 ( 0.000 0.000 -0.440) 0.440 7.257 ( 0.000 0.000 0.440) 0.440 7.943 ( 0.000 0.000 -8.790) 8.790 7.943 ( 0.000 0.000 8.790) 8.790 8.042 ( 0.000 0.000 -8.623) 8.623 8.042 ( 0.000 0.000 8.623) 8.623 8.203 ( 0.000 0.000 -1.802) 1.802 8.203 ( 0.000 0.000 1.802) 1.802 8.873 ( 0.000 0.000 -6.283) 6.283 8.873 ( 0.000 0.000 6.283) 6.283 9.195 ( 0.000 0.000 -11.248) 11.248 9.195 ( 0.000 0.000 11.248) 11.248 9.404 ( 0.000 0.000 -0.042) 0.042 9.404 ( 0.000 0.000 0.042) 0.042 9.748 ( 0.000 0.000 -3.879) 3.879 9.748 ( 0.000 0.000 3.879) 3.879 9.899 ( 0.000 0.000 -11.932) 11.932 9.899 ( 0.000 0.000 11.932) 11.932 10.097 ( 0.000 0.000 -3.862) 3.862 10.097 ( 0.000 0.000 3.862) 3.862 10.635 ( 0.000 0.000 -3.774) 3.774 10.635 ( 0.000 0.000 3.774) 3.774 11.018 ( 0.000 0.000 -16.882) 16.882 11.018 ( 0.000 0.000 16.882) 16.882 11.194 ( 0.000 0.000 -5.674) 5.674 11.194 ( 0.000 0.000 5.674) 5.674 11.660 ( 0.000 0.000 -12.654) 12.654 11.660 ( 0.000 0.000 12.654) 12.654 12.308 ( 0.000 0.000 -20.927) 20.927 12.308 ( 0.000 0.000 20.927) 20.927 13.150 ( 0.000 0.000 -15.235) 15.235 13.150 ( 0.000 0.000 15.235) 15.235 13.160 ( 0.000 0.000 -2.960) 2.960 13.160 ( 0.000 0.000 2.960) 2.960 13.217 ( 0.000 0.000 -14.152) 14.152 13.217 ( 0.000 0.000 14.152) 14.152 13.682 ( 0.000 0.000 -5.225) 5.225 13.682 ( 0.000 0.000 5.225) 5.225 14.444 ( 0.000 0.000 -6.093) 6.093 14.444 ( 0.000 0.000 6.093) 6.093 14.804 ( 0.000 0.000 -1.229) 1.229 14.804 ( 0.000 0.000 1.229) 1.229 15.435 ( 0.000 0.000 -12.374) 12.374 15.435 ( 0.000 0.000 12.374) 12.374 17.112 ( 0.000 0.000 -3.157) 3.157 17.112 ( 0.000 0.000 3.157) 3.157 17.128 ( 0.000 0.000 -3.304) 3.304 17.128 ( 0.000 0.000 3.304) 3.304 17.677 ( 0.000 0.000 -27.919) 27.919 17.677 ( 0.000 0.000 27.919) 27.919 19.553 ( 0.000 0.000 -1.292) 1.292 19.553 ( 0.000 0.000 1.292) 1.292 20.380 ( 0.000 0.000 -6.914) 6.914 20.380 ( 0.000 0.000 6.914) 6.914 21.196 ( 0.000 0.000 -5.081) 5.081 21.196 ( 0.000 0.000 5.081) 5.081 23.799 ( 0.000 0.000 -10.330) 10.330 23.799 ( 0.000 0.000 10.330) 10.330 25.183 ( 0.000 0.000 -12.765) 12.765 25.183 ( 0.000 0.000 12.765) 12.765 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.526 0.000 -24.821) 24.868 1.275 ( 1.526 0.000 24.821) 24.868 1.593 ( 9.202 0.000 -26.096) 27.671 1.593 ( 9.202 0.000 26.096) 27.671 2.202 ( -3.739 0.000 -2.879) 4.719 2.202 ( -3.739 0.000 2.879) 4.719 2.528 ( 10.804 0.000 -27.567) 29.609 2.528 ( 10.804 0.000 27.567) 29.609 2.615 ( -13.285 0.000 -9.097) 16.101 2.615 ( -13.285 0.000 9.097) 16.101 2.889 ( -1.140 0.000 -13.410) 13.459 2.889 ( -1.140 0.000 13.410) 13.459 3.103 ( 0.456 0.000 -5.026) 5.046 3.103 ( 0.456 0.000 5.026) 5.046 3.360 ( 4.559 0.000 -1.238) 4.724 3.360 ( 4.559 0.000 1.238) 4.724 3.571 ( 4.024 0.000 -7.089) 8.151 3.571 ( 4.024 0.000 7.089) 8.151 3.873 ( -1.889 0.000 -13.208) 13.343 3.873 ( -1.889 0.000 13.208) 13.343 4.539 ( -6.500 0.000 -7.670) 10.054 4.539 ( -6.500 0.000 7.670) 10.054 4.643 ( 4.052 0.000 -0.984) 4.170 4.643 ( 4.052 0.000 0.984) 4.170 4.894 ( -1.178 0.000 -8.989) 9.066 4.894 ( -1.178 0.000 8.989) 9.066 4.946 ( -3.066 0.000 -1.431) 3.383 4.946 ( -3.066 0.000 1.431) 3.383 5.614 ( 3.250 0.000 -8.110) 8.737 5.614 ( 3.250 0.000 8.110) 8.737 6.188 ( -5.683 0.000 -3.968) 6.931 6.188 ( -5.683 0.000 3.968) 6.931 6.920 ( 7.885 0.000 -8.214) 11.386 6.920 ( 7.885 0.000 8.214) 11.386 7.130 ( 6.519 0.000 -2.385) 6.942 7.130 ( 6.519 0.000 2.385) 6.942 7.339 ( 7.039 0.000 -3.434) 7.832 7.339 ( 7.039 0.000 3.434) 7.832 7.850 ( -3.648 0.000 -4.788) 6.019 7.850 ( -3.648 0.000 4.788) 6.019 8.099 ( 2.782 0.000 -2.833) 3.971 8.099 ( 2.782 0.000 2.833) 3.971 8.203 ( 0.033 0.000 -1.445) 1.446 8.203 ( 0.033 0.000 1.445) 1.446 8.906 ( 3.158 0.000 -5.528) 6.367 8.906 ( 3.158 0.000 5.528) 6.367 9.163 ( -2.907 0.000 -10.123) 10.532 9.163 ( -2.907 0.000 10.123) 10.532 9.401 ( -0.354 0.000 -1.628) 1.666 9.401 ( -0.354 0.000 1.628) 1.666 9.610 ( -9.267 0.000 -5.008) 10.534 9.610 ( -9.267 0.000 5.008) 10.534 9.912 ( -17.294 0.000 -6.706) 18.549 9.912 ( -17.294 0.000 6.706) 18.549 10.020 ( 7.674 0.000 -6.201) 9.866 10.020 ( 7.674 0.000 6.201) 9.866 10.621 ( -1.274 0.000 -3.332) 3.567 10.621 ( -1.274 0.000 3.332) 3.567 10.910 ( -5.951 0.000 -12.779) 14.097 10.910 ( -5.951 0.000 12.779) 14.097 11.255 ( 3.251 0.000 -9.290) 9.842 11.255 ( 3.251 0.000 9.290) 9.842 11.823 ( 12.787 0.000 -10.959) 16.841 11.823 ( 12.787 0.000 10.959) 16.841 12.386 ( 7.314 0.000 -15.202) 16.870 12.386 ( 7.314 0.000 15.202) 16.870 13.099 ( -5.337 0.000 -2.901) 6.074 13.099 ( -5.337 0.000 2.901) 6.074 13.155 ( 0.532 0.000 -14.495) 14.505 13.155 ( 0.532 0.000 14.495) 14.505 13.212 ( -0.507 0.000 -13.619) 13.629 13.212 ( -0.507 0.000 13.619) 13.629 13.753 ( 6.559 0.000 -6.752) 9.413 13.753 ( 6.559 0.000 6.752) 9.413 14.421 ( -3.033 0.000 -5.708) 6.464 14.421 ( -3.033 0.000 5.708) 6.464 14.772 ( -2.748 0.000 -1.053) 2.943 14.772 ( -2.748 0.000 1.053) 2.943 15.403 ( -2.732 0.000 -10.692) 11.036 15.403 ( -2.732 0.000 10.692) 11.036 17.112 ( -0.005 0.000 -2.536) 2.536 17.112 ( -0.005 0.000 2.536) 2.536 17.128 ( 0.007 0.000 -2.654) 2.654 17.128 ( 0.007 0.000 2.654) 2.654 17.708 ( 3.002 0.000 -24.554) 24.737 17.708 ( 3.002 0.000 24.554) 24.737 19.523 ( -3.953 0.000 -4.377) 5.898 19.523 ( -3.953 0.000 4.377) 5.898 20.298 ( -10.394 0.000 -8.998) 13.747 20.298 ( -10.394 0.000 8.998) 13.747 20.758 ( -28.670 0.000 -11.358) 30.838 20.758 ( -28.670 0.000 11.358) 30.838 24.038 ( 15.796 0.000 -14.672) 21.559 24.038 ( 15.796 0.000 14.672) 21.559 25.293 ( 9.786 0.000 -9.053) 13.331 25.293 ( 9.786 0.000 9.053) 13.331 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.277 0.000 -11.669) 12.120 1.333 ( 3.277 0.000 11.669) 12.120 1.800 ( 9.889 0.000 -14.704) 17.720 1.800 ( 9.889 0.000 14.704) 17.720 2.048 ( -7.192 0.000 -2.561) 7.634 2.048 ( -7.192 0.000 2.561) 7.634 2.353 ( -11.429 0.000 -8.664) 14.342 2.353 ( -11.429 0.000 8.664) 14.342 2.756 ( 3.924 0.000 -1.190) 4.100 2.756 ( 3.924 0.000 1.190) 4.100 3.033 ( 20.812 0.000 -26.533) 33.721 3.033 ( 20.812 0.000 26.533) 33.721 3.107 ( 0.099 0.000 -1.860) 1.863 3.107 ( 0.099 0.000 1.860) 1.863 3.427 ( 1.948 0.000 -0.513) 2.014 3.427 ( 1.948 0.000 0.513) 2.014 3.465 ( -16.805 0.000 -6.588) 18.050 3.465 ( -16.805 0.000 6.588) 18.050 3.811 ( -2.927 0.000 -9.650) 10.084 3.811 ( -2.927 0.000 9.650) 10.084 4.550 ( 7.015 0.000 -5.041) 8.639 4.550 ( 7.015 0.000 5.041) 8.639 4.740 ( 5.526 0.000 -0.997) 5.615 4.740 ( 5.526 0.000 0.997) 5.615 4.815 ( -6.448 0.000 -7.594) 9.962 4.815 ( -6.448 0.000 7.594) 9.962 4.866 ( -4.912 0.000 -1.173) 5.050 4.866 ( -4.912 0.000 1.173) 5.050 5.667 ( 1.567 0.000 -5.828) 6.034 5.667 ( 1.567 0.000 5.828) 6.034 6.111 ( -2.055 0.000 -3.517) 4.073 6.111 ( -2.055 0.000 3.517) 4.073 7.003 ( 2.026 0.000 -2.760) 3.424 7.003 ( 2.026 0.000 2.760) 3.424 7.187 ( -1.341 0.000 -2.715) 3.028 7.187 ( -1.341 0.000 2.715) 3.028 7.543 ( 14.243 0.000 -4.534) 14.948 7.543 ( 14.243 0.000 4.534) 14.948 7.780 ( -8.113 0.000 -4.479) 9.268 7.780 ( -8.113 0.000 4.479) 9.268 8.204 ( 0.022 0.000 -0.545) 0.545 8.204 ( 0.022 0.000 0.545) 0.545 8.209 ( 8.492 0.000 -4.527) 9.623 8.209 ( 8.492 0.000 4.527) 9.623 8.972 ( 2.765 0.000 -2.618) 3.808 8.972 ( 2.765 0.000 2.618) 3.808 9.093 ( -4.138 0.000 -4.800) 6.337 9.093 ( -4.138 0.000 4.800) 6.337 9.387 ( -1.143 0.000 -2.581) 2.823 9.387 ( -1.143 0.000 2.581) 2.823 9.471 ( -4.022 0.000 -4.587) 6.101 9.471 ( -4.022 0.000 4.587) 6.101 9.590 ( -11.665 0.000 -5.363) 12.839 9.590 ( -11.665 0.000 5.363) 12.839 10.131 ( 3.335 0.000 -2.282) 4.041 10.131 ( 3.335 0.000 2.282) 4.041 10.596 ( -0.977 0.000 -1.524) 1.810 10.596 ( -0.977 0.000 1.524) 1.810 10.840 ( -1.733 0.000 -4.803) 5.106 10.840 ( -1.733 0.000 4.803) 5.106 11.300 ( 1.304 0.000 -3.464) 3.701 11.300 ( 1.304 0.000 3.464) 3.701 12.014 ( 5.648 0.000 -4.017) 6.931 12.014 ( 5.648 0.000 4.017) 6.931 12.525 ( 5.227 0.000 -4.925) 7.181 12.525 ( 5.227 0.000 4.925) 7.181 13.004 ( -3.485 0.000 -1.779) 3.913 13.004 ( -3.485 0.000 1.779) 3.913 13.167 ( 0.547 0.000 -9.193) 9.209 13.167 ( 0.547 0.000 9.193) 9.209 13.201 ( -0.532 0.000 -8.858) 8.874 13.201 ( -0.532 0.000 8.858) 8.874 13.891 ( 6.321 0.000 -5.930) 8.667 13.891 ( 6.321 0.000 5.930) 8.667 14.319 ( -6.001 0.000 -5.537) 8.165 14.319 ( -6.001 0.000 5.537) 8.165 14.733 ( -0.932 0.000 -1.031) 1.389 14.733 ( -0.932 0.000 1.031) 1.389 15.359 ( -1.400 0.000 -4.237) 4.462 15.359 ( -1.400 0.000 4.237) 4.462 17.112 ( -0.003 0.000 -0.957) 0.957 17.112 ( -0.003 0.000 0.957) 0.957 17.128 ( 0.004 0.000 -1.002) 1.002 17.128 ( 0.004 0.000 1.002) 1.002 17.768 ( 2.316 0.000 -11.071) 11.311 17.768 ( 2.316 0.000 11.071) 11.311 19.396 ( -6.814 0.000 -6.292) 9.274 19.396 ( -6.814 0.000 6.292) 9.274 20.053 ( -8.169 0.000 -5.245) 9.708 20.053 ( -8.169 0.000 5.245) 9.708 20.486 ( -4.254 0.000 -3.863) 5.746 20.486 ( -4.254 0.000 3.863) 5.746 24.232 ( 4.639 0.000 -6.251) 7.784 24.232 ( 4.639 0.000 6.251) 7.784 25.455 ( 5.196 0.000 -2.896) 5.949 25.455 ( 5.196 0.000 2.896) 5.949 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 5.544 -0.905) 5.618 1.349 ( 0.000 5.544 0.905) 5.618 1.535 ( 0.000 10.530 -2.500) 10.822 1.535 ( 0.000 10.530 2.500) 10.822 2.304 ( 0.000 5.056 -3.354) 6.067 2.304 ( 0.000 5.056 3.354) 6.067 2.666 ( 0.000 20.109 -24.656) 31.817 2.666 ( 0.000 20.109 24.656) 31.817 2.888 ( 0.000 10.560 -5.111) 11.731 2.888 ( 0.000 10.560 5.111) 11.731 2.981 ( 0.000 6.664 -15.788) 17.137 2.981 ( 0.000 6.664 15.788) 17.137 3.117 ( 0.000 1.849 -2.173) 2.853 3.117 ( 0.000 1.849 2.173) 2.853 3.370 ( 0.000 5.596 -2.553) 6.151 3.370 ( 0.000 5.596 2.553) 6.151 3.558 ( 0.000 5.554 -2.461) 6.075 3.558 ( 0.000 5.554 2.461) 6.075 3.851 ( 0.000 1.874 -10.375) 10.543 3.851 ( 0.000 1.874 10.375) 10.543 4.618 ( 0.000 0.087 -9.169) 9.169 4.618 ( 0.000 0.087 9.169) 9.169 4.832 ( 0.000 2.992 -7.785) 8.340 4.832 ( 0.000 2.992 7.785) 8.340 5.056 ( 0.000 25.858 -2.650) 25.993 5.056 ( 0.000 25.858 2.650) 25.993 5.303 ( 0.000 28.930 -1.852) 28.989 5.303 ( 0.000 28.930 1.852) 28.989 5.634 ( 0.000 7.135 -0.080) 7.135 5.634 ( 0.000 7.135 0.080) 7.135 6.194 ( 0.000 -4.493 -2.541) 5.162 6.194 ( 0.000 -4.493 2.541) 5.162 6.791 ( 0.000 0.415 -5.652) 5.667 6.791 ( 0.000 0.415 5.652) 5.667 7.083 ( 0.000 0.892 -0.872) 1.247 7.083 ( 0.000 0.892 0.872) 1.247 7.203 ( 0.000 -3.140 -1.725) 3.582 7.203 ( 0.000 -3.140 1.725) 3.582 7.870 ( 0.000 -3.267 -10.011) 10.530 7.870 ( 0.000 -3.267 10.011) 10.530 8.016 ( 0.000 -0.427 -8.525) 8.535 8.016 ( 0.000 -0.427 8.525) 8.535 8.434 ( 0.000 15.260 -3.933) 15.759 8.434 ( 0.000 15.260 3.933) 15.759 9.002 ( 0.000 0.189 -3.725) 3.730 9.002 ( 0.000 0.189 3.725) 3.730 9.150 ( 0.000 4.203 -1.054) 4.333 9.150 ( 0.000 4.203 1.054) 4.333 9.457 ( 0.000 5.812 -0.520) 5.836 9.457 ( 0.000 5.812 0.520) 5.836 9.672 ( 0.000 -1.922 -7.478) 7.721 9.672 ( 0.000 -1.922 7.478) 7.721 9.878 ( 0.000 8.511 -0.163) 8.513 9.878 ( 0.000 8.511 0.163) 8.513 10.431 ( 0.000 -5.850 -0.933) 5.924 10.431 ( 0.000 -5.850 0.933) 5.924 10.677 ( 0.000 23.749 -12.982) 27.066 10.677 ( 0.000 23.749 12.982) 27.066 11.094 ( 0.000 5.171 -6.528) 8.328 11.094 ( 0.000 5.171 6.528) 8.328 11.267 ( 0.000 6.745 -11.273) 13.136 11.267 ( 0.000 6.745 11.273) 13.136 11.800 ( 0.000 12.177 -17.968) 21.705 11.800 ( 0.000 12.177 17.968) 21.705 12.288 ( 0.000 -1.941 -20.623) 20.714 12.288 ( 0.000 -1.941 20.623) 20.714 12.720 ( 0.000 -27.948 -7.815) 29.020 12.720 ( 0.000 -27.948 7.815) 29.020 12.783 ( 0.000 -27.244 -11.379) 29.525 12.783 ( 0.000 -27.244 11.379) 29.525 13.353 ( 0.000 1.890 -7.333) 7.573 13.353 ( 0.000 1.890 7.333) 7.573 13.789 ( 0.000 6.633 -3.068) 7.309 13.789 ( 0.000 6.633 3.068) 7.309 14.753 ( 0.000 23.511 -9.800) 25.471 14.753 ( 0.000 23.511 9.800) 25.471 14.868 ( 0.000 4.828 -1.031) 4.937 14.868 ( 0.000 4.828 1.031) 4.937 15.434 ( 0.000 0.381 -10.280) 10.287 15.434 ( 0.000 0.381 10.280) 10.287 16.868 ( 0.000 -17.946 -3.454) 18.275 16.868 ( 0.000 -17.946 3.454) 18.275 16.883 ( 0.000 -19.533 -4.605) 20.069 16.883 ( 0.000 -19.533 4.605) 20.069 17.867 ( 0.000 12.379 -29.072) 31.598 17.867 ( 0.000 12.379 29.072) 31.598 19.741 ( 0.000 12.311 -1.054) 12.356 19.741 ( 0.000 12.311 1.054) 12.356 20.480 ( 0.000 9.931 -4.944) 11.094 20.480 ( 0.000 9.931 4.944) 11.094 21.040 ( 0.000 -12.059 -2.357) 12.287 21.040 ( 0.000 -12.059 2.357) 12.287 23.749 ( 0.000 -4.203 -9.578) 10.460 23.749 ( 0.000 -4.203 9.578) 10.460 25.036 ( 0.000 -13.413 -10.653) 17.129 25.036 ( 0.000 -13.413 10.653) 17.129 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 3.309 9.388 -17.054) 19.746 1.379 ( 3.309 9.388 17.054) 19.746 1.639 ( 9.987 7.488 -21.346) 24.727 1.639 ( 9.987 7.488 21.346) 24.727 2.246 ( -6.403 3.680 -2.418) 7.771 2.246 ( -6.403 3.680 2.418) 7.771 2.662 ( -11.037 9.084 -3.267) 14.663 2.662 ( -11.037 9.084 3.267) 14.663 2.772 ( 1.770 12.586 -7.761) 14.892 2.772 ( 1.770 12.586 7.761) 14.892 2.987 ( 3.844 12.973 -20.409) 24.487 2.987 ( 3.844 12.973 20.409) 24.487 3.158 ( 0.884 4.443 -5.303) 6.975 3.158 ( 0.884 4.443 5.303) 6.975 3.419 ( 4.846 4.646 -2.538) 7.177 3.419 ( 4.846 4.646 2.538) 7.177 3.612 ( 2.084 4.584 -5.444) 7.416 3.612 ( 2.084 4.584 5.444) 7.416 3.872 ( 1.666 3.377 -10.092) 10.772 3.872 ( 1.666 3.377 10.092) 10.772 4.545 ( -6.011 2.057 -7.095) 9.524 4.545 ( -6.011 2.057 7.095) 9.524 4.799 ( -2.243 1.663 -6.565) 7.134 4.799 ( -2.243 1.663 6.565) 7.134 5.103 ( 3.830 27.768 -3.802) 28.287 5.103 ( 3.830 27.768 3.802) 28.287 5.305 ( -0.513 30.348 -1.252) 30.378 5.305 ( -0.513 30.348 1.252) 30.378 5.641 ( 0.914 4.052 -6.368) 7.603 5.641 ( 0.914 4.052 6.368) 7.603 6.144 ( -4.015 -2.854 -4.222) 6.488 6.144 ( -4.015 -2.854 4.222) 6.488 6.893 ( 7.513 -1.726 -6.229) 9.911 6.893 ( 7.513 -1.726 6.229) 9.911 7.128 ( 4.461 -0.067 -2.077) 4.921 7.128 ( 4.461 -0.067 2.077) 4.921 7.286 ( 8.252 -2.969 -2.133) 9.026 7.286 ( 8.252 -2.969 2.133) 9.026 7.783 ( -5.525 -3.291 -3.849) 7.494 7.783 ( -5.525 -3.291 3.849) 7.494 8.009 ( -2.787 -1.815 -2.290) 4.038 8.009 ( -2.787 -1.815 2.290) 4.038 8.495 ( 6.134 16.333 -4.490) 18.015 8.495 ( 6.134 16.333 4.490) 18.015 8.996 ( -0.804 -2.411 -4.172) 4.885 8.996 ( -0.804 -2.411 4.172) 4.885 9.162 ( 1.276 6.011 -1.432) 6.309 9.162 ( 1.276 6.011 1.432) 6.309 9.430 ( -2.736 4.487 -1.216) 5.394 9.430 ( -2.736 4.487 1.216) 5.394 9.630 ( -3.998 5.285 -2.993) 7.271 9.630 ( -3.998 5.285 2.993) 7.271 9.871 ( -1.348 6.495 -3.073) 7.311 9.871 ( -1.348 6.495 3.073) 7.311 10.390 ( -4.329 2.815 -5.788) 7.756 10.390 ( -4.329 2.815 5.788) 7.756 10.580 ( -8.015 14.264 -7.367) 17.944 10.580 ( -8.015 14.264 7.367) 17.944 10.983 ( -7.122 5.420 -7.014) 11.371 10.983 ( -7.122 5.420 7.014) 11.371 11.293 ( 2.369 4.478 -9.764) 11.000 11.293 ( 2.369 4.478 9.764) 11.000 11.946 ( 10.451 8.652 -10.022) 16.867 11.946 ( 10.451 8.652 10.022) 16.867 12.370 ( 7.640 -1.986 -12.066) 14.419 12.370 ( 7.640 -1.986 12.066) 14.419 12.710 ( -1.114 -26.980 -6.630) 27.805 12.710 ( -1.114 -26.980 6.630) 27.805 12.802 ( 2.301 -25.541 -9.945) 27.505 12.802 ( 2.301 -25.541 9.945) 27.505 13.274 ( -6.729 0.155 -6.880) 9.625 13.274 ( -6.729 0.155 6.880) 9.625 13.891 ( 9.250 8.404 -5.364) 13.600 13.891 ( 9.250 8.404 5.364) 13.600 14.704 ( -6.826 18.886 -8.737) 21.900 14.704 ( -6.826 18.886 8.737) 21.900 14.846 ( -0.637 8.368 -1.326) 8.496 14.846 ( -0.637 8.368 1.326) 8.496 15.411 ( -1.947 1.105 -8.484) 8.774 15.411 ( -1.947 1.105 8.484) 8.774 16.866 ( -0.120 -18.953 -2.222) 19.083 16.866 ( -0.120 -18.953 2.222) 19.083 16.886 ( 0.232 -18.504 -3.138) 18.770 16.886 ( 0.232 -18.504 3.138) 18.770 17.901 ( 3.264 12.587 -25.761) 28.857 17.901 ( 3.264 12.587 25.761) 28.857 19.702 ( -5.219 10.260 -5.257) 12.654 19.702 ( -5.219 10.260 5.257) 12.654 20.367 ( -13.947 7.559 -7.452) 17.527 20.367 ( -13.947 7.559 7.452) 17.527 20.731 ( -18.092 0.022 -9.748) 20.551 20.731 ( -18.092 0.022 9.748) 20.551 23.958 ( 14.772 -6.932 -13.093) 20.921 23.958 ( 14.772 -6.932 13.093) 20.921 25.124 ( 8.118 -15.231 -7.961) 19.007 25.124 ( 8.118 -15.231 7.961) 19.007 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 3.502 11.655 -9.239) 15.280 1.457 ( 3.502 11.655 9.239) 15.280 1.851 ( 8.924 5.647 -14.325) 17.797 1.851 ( 8.924 5.647 14.325) 17.797 2.132 ( -1.375 6.937 -1.199) 7.173 2.132 ( -1.375 6.937 1.199) 7.173 2.365 ( -15.351 2.888 -8.917) 17.986 2.365 ( -15.351 2.888 8.917) 17.986 2.823 ( 0.745 5.644 -1.873) 5.993 2.823 ( 0.745 5.644 1.873) 5.993 3.143 ( 1.609 4.066 -0.796) 4.445 3.143 ( 1.609 4.066 0.796) 4.445 3.233 ( 16.268 16.228 -21.278) 31.317 3.233 ( 16.268 16.228 21.278) 31.317 3.478 ( -1.942 6.148 -3.986) 7.580 3.478 ( -1.942 6.148 3.986) 7.580 3.581 ( -4.637 9.231 -2.659) 10.667 3.581 ( -4.637 9.231 2.659) 10.667 3.827 ( -5.038 4.448 -10.282) 12.283 3.827 ( -5.038 4.448 10.282) 12.283 4.502 ( 1.614 -0.650 -2.943) 3.419 4.502 ( 1.614 -0.650 2.943) 3.419 4.769 ( -0.997 0.286 -3.190) 3.355 4.769 ( -0.997 0.286 3.190) 3.355 5.171 ( 3.038 32.477 -2.870) 32.745 5.171 ( 3.038 32.477 2.870) 32.745 5.267 ( -2.947 32.615 -0.516) 32.752 5.267 ( -2.947 32.615 0.516) 32.752 5.659 ( 0.602 0.022 -5.087) 5.122 5.659 ( 0.602 0.022 5.087) 5.122 6.085 ( -1.684 -2.102 -2.890) 3.950 6.085 ( -1.684 -2.102 2.890) 3.950 6.986 ( 2.233 -1.101 -2.505) 3.532 6.986 ( 2.233 -1.101 2.505) 3.532 7.184 ( 0.445 -0.324 -2.043) 2.116 7.184 ( 0.445 -0.324 2.043) 2.116 7.508 ( 13.882 -2.356 -2.570) 14.313 7.508 ( 13.882 -2.356 2.570) 14.313 7.709 ( -4.958 -5.216 -3.487) 7.997 7.709 ( -4.958 -5.216 3.487) 7.997 7.911 ( -5.148 -6.170 -1.992) 8.278 7.911 ( -5.148 -6.170 1.992) 8.278 8.655 ( 9.237 18.365 -3.144) 20.796 8.655 ( 9.237 18.365 3.144) 20.796 8.955 ( -3.902 -4.304 -3.281) 6.672 8.955 ( -3.902 -4.304 3.281) 6.672 9.173 ( -0.757 1.951 -0.793) 2.237 9.173 ( -0.757 1.951 0.793) 2.237 9.377 ( -1.484 6.753 -0.457) 6.929 9.377 ( -1.484 6.753 0.457) 6.929 9.559 ( -2.492 12.168 -1.143) 12.473 9.559 ( -2.492 12.168 1.143) 12.473 9.814 ( -3.322 14.267 -3.064) 14.965 9.814 ( -3.322 14.267 3.064) 14.965 10.303 ( -2.875 14.645 -2.229) 15.090 10.303 ( -2.875 14.645 2.229) 15.090 10.478 ( -2.284 -7.139 -2.583) 7.928 10.478 ( -2.284 -7.139 2.583) 7.928 10.892 ( -2.377 4.089 -3.781) 6.055 10.892 ( -2.377 4.089 3.781) 6.055 11.334 ( 1.360 4.611 -3.139) 5.741 11.334 ( 1.360 4.611 3.139) 5.741 12.091 ( 4.040 3.584 -1.881) 5.718 12.091 ( 4.040 3.584 1.881) 5.718 12.512 ( 5.506 -3.347 -3.558) 7.361 12.512 ( 5.506 -3.347 3.558) 7.361 12.677 ( -2.044 -26.473 -3.852) 26.830 12.677 ( -2.044 -26.473 3.852) 26.830 12.868 ( 3.587 -19.824 -5.111) 20.784 12.868 ( 3.587 -19.824 5.111) 20.784 13.150 ( -4.990 -3.136 -4.427) 7.372 13.150 ( -4.990 -3.136 4.427) 7.372 14.090 ( 9.944 12.687 -6.784) 17.489 14.090 ( 9.944 12.687 6.784) 17.489 14.509 ( -10.738 10.505 -7.992) 17.016 14.509 ( -10.738 10.505 7.992) 17.016 14.854 ( 0.627 13.391 -1.438) 13.482 14.854 ( 0.627 13.391 1.438) 13.482 15.380 ( -0.945 2.202 -3.152) 3.960 15.380 ( -0.945 2.202 3.152) 3.960 16.865 ( -0.043 -19.960 -0.736) 19.973 16.865 ( -0.043 -19.960 0.736) 19.973 16.889 ( 0.096 -17.491 -1.076) 17.524 16.889 ( 0.096 -17.491 1.076) 17.524 17.967 ( 2.625 13.102 -11.877) 17.878 17.967 ( 2.625 13.102 11.877) 17.878 19.531 ( -8.968 4.781 -8.135) 13.018 19.531 ( -8.968 4.781 8.135) 13.018 20.125 ( -5.950 11.138 -3.292) 13.050 20.125 ( -5.950 11.138 3.292) 13.050 20.567 ( -2.927 8.163 -2.713) 9.086 20.567 ( -2.927 8.163 2.713) 9.086 24.149 ( 4.787 -7.564 -5.863) 10.701 24.149 ( 4.787 -7.564 5.863) 10.701 25.265 ( 4.732 -17.286 -2.417) 18.084 25.265 ( 4.732 -17.286 2.417) 18.084 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 16.815 -11.140) 20.170 1.571 ( 0.000 16.815 11.140) 20.170 1.892 ( 0.000 20.978 -11.641) 23.992 1.892 ( 0.000 20.978 11.641) 23.992 2.408 ( 0.000 6.856 -4.386) 8.139 2.408 ( 0.000 6.856 4.386) 8.139 3.019 ( 0.000 11.215 -4.601) 12.122 3.019 ( 0.000 11.215 4.601) 12.122 3.086 ( 0.000 5.466 -0.621) 5.501 3.086 ( 0.000 5.466 0.621) 5.501 3.235 ( 0.000 10.537 -4.881) 11.613 3.235 ( 0.000 10.537 4.881) 11.613 3.307 ( 0.000 23.919 -20.096) 31.240 3.307 ( 0.000 23.919 20.096) 31.240 3.433 ( 0.000 1.609 -8.904) 9.049 3.433 ( 0.000 1.609 8.904) 9.049 3.722 ( 0.000 11.490 -2.646) 11.790 3.722 ( 0.000 11.490 2.646) 11.790 4.043 ( 0.000 14.212 -6.102) 15.466 4.043 ( 0.000 14.212 6.102) 15.466 4.644 ( 0.000 2.597 -7.615) 8.046 4.644 ( 0.000 2.597 7.615) 8.046 4.853 ( 0.000 1.447 -8.138) 8.266 4.853 ( 0.000 1.447 8.138) 8.266 5.425 ( 0.000 6.897 -1.496) 7.057 5.425 ( 0.000 6.897 1.496) 7.057 5.831 ( 0.000 4.432 -1.247) 4.605 5.831 ( 0.000 4.432 1.247) 4.605 6.066 ( 0.000 38.249 -1.593) 38.283 6.066 ( 0.000 38.249 1.593) 38.283 6.345 ( 0.000 27.810 -4.517) 28.175 6.345 ( 0.000 27.810 4.517) 28.175 6.810 ( 0.000 1.566 -4.067) 4.358 6.810 ( 0.000 1.566 4.067) 4.358 7.093 ( 0.000 1.187 -0.447) 1.269 7.093 ( 0.000 1.187 0.447) 1.269 7.201 ( 0.000 3.320 -1.250) 3.547 7.201 ( 0.000 3.320 1.250) 3.547 7.861 ( 0.000 3.194 -5.145) 6.056 7.861 ( 0.000 3.194 5.145) 6.056 8.061 ( 0.000 4.820 -7.926) 9.276 8.061 ( 0.000 4.820 7.926) 9.276 8.725 ( 0.000 12.633 -2.328) 12.845 8.725 ( 0.000 12.633 2.328) 12.845 8.880 ( 0.000 -5.435 -6.183) 8.233 8.880 ( 0.000 -5.435 6.183) 8.233 9.233 ( 0.000 2.796 -1.557) 3.201 9.233 ( 0.000 2.796 1.557) 3.201 9.626 ( 0.000 3.506 -1.396) 3.773 9.626 ( 0.000 3.506 1.396) 3.773 9.796 ( 0.000 13.500 -0.844) 13.527 9.796 ( 0.000 13.500 0.844) 13.527 10.163 ( 0.000 15.349 -6.356) 16.613 10.163 ( 0.000 15.349 6.356) 16.613 10.253 ( 0.000 -4.696 -3.655) 5.951 10.253 ( 0.000 -4.696 3.655) 5.951 10.970 ( 0.000 2.089 -8.041) 8.308 10.970 ( 0.000 2.089 8.041) 8.308 11.210 ( 0.000 0.406 -14.416) 14.421 11.210 ( 0.000 0.406 14.416) 14.421 11.463 ( 0.000 12.193 -12.442) 17.421 11.463 ( 0.000 12.193 12.442) 17.421 11.992 ( 0.000 -0.325 -12.026) 12.031 11.992 ( 0.000 -0.325 12.026) 12.031 12.100 ( 0.000 -27.336 -6.815) 28.172 12.100 ( 0.000 -27.336 6.815) 28.172 12.210 ( 0.000 -8.400 -18.820) 20.609 12.210 ( 0.000 -8.400 18.820) 20.609 12.415 ( 0.000 1.814 -24.949) 25.015 12.415 ( 0.000 1.814 24.949) 25.015 13.337 ( 0.000 -2.386 -6.174) 6.619 13.337 ( 0.000 -2.386 6.174) 6.619 13.910 ( 0.000 5.535 -3.941) 6.795 13.910 ( 0.000 5.535 3.941) 6.795 14.919 ( 0.000 -0.420 -6.708) 6.721 14.919 ( 0.000 -0.420 6.708) 6.721 15.203 ( 0.000 16.661 -10.236) 19.554 15.203 ( 0.000 16.661 10.236) 19.554 15.457 ( 0.000 0.752 -4.790) 4.849 15.457 ( 0.000 0.752 4.790) 4.849 16.489 ( 0.000 -15.142 -2.159) 15.295 16.489 ( 0.000 -15.142 2.159) 15.295 16.531 ( 0.000 -13.044 -1.146) 13.094 16.531 ( 0.000 -13.044 1.146) 13.094 18.062 ( 0.000 5.956 -33.272) 33.801 18.062 ( 0.000 5.956 33.272) 33.801 19.784 ( 0.000 -11.086 -9.093) 14.339 19.784 ( 0.000 -11.086 9.093) 14.339 20.761 ( 0.000 14.197 -2.792) 14.469 20.761 ( 0.000 14.197 2.792) 14.469 20.910 ( 0.000 4.383 -4.988) 6.640 20.910 ( 0.000 4.383 4.988) 6.640 23.659 ( 0.000 -4.140 -6.601) 7.792 23.659 ( 0.000 -4.140 6.601) 7.792 24.681 ( 0.000 -20.210 -7.887) 21.695 24.681 ( 0.000 -20.210 7.887) 21.695 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 7.339 16.977 -8.117) 20.198 1.649 ( 7.339 16.977 8.117) 20.198 1.919 ( 3.243 17.854 -12.209) 21.871 1.919 ( 3.243 17.854 12.209) 21.871 2.367 ( -3.968 8.376 -2.458) 9.589 2.367 ( -3.968 8.376 2.458) 9.589 2.831 ( -16.812 7.535 -5.282) 19.166 2.831 ( -16.812 7.535 5.282) 19.166 3.010 ( -3.093 11.559 -4.711) 12.859 3.010 ( -3.093 11.559 4.711) 12.859 3.240 ( -0.633 4.762 -1.968) 5.191 3.240 ( -0.633 4.762 1.968) 5.191 3.424 ( 8.142 19.938 -15.270) 26.400 3.424 ( 8.142 19.938 15.270) 26.400 3.529 ( 9.312 9.552 -6.696) 14.926 3.529 ( 9.312 9.552 6.696) 14.926 3.771 ( 2.938 10.698 -3.706) 11.696 3.771 ( 2.938 10.698 3.706) 11.696 4.053 ( 0.691 12.880 -7.598) 14.970 4.053 ( 0.691 12.880 7.598) 14.970 4.621 ( -2.778 5.085 -7.621) 9.574 4.621 ( -2.778 5.085 7.621) 9.574 4.816 ( -2.628 1.551 -6.917) 7.561 4.816 ( -2.628 1.551 6.917) 7.561 5.480 ( 5.063 5.085 -1.582) 7.349 5.480 ( 5.063 5.085 1.582) 7.349 5.829 ( -0.283 4.121 -0.554) 4.168 5.829 ( -0.283 4.121 0.554) 4.168 6.069 ( 0.327 39.764 -1.983) 39.815 6.069 ( 0.327 39.764 1.983) 39.815 6.297 ( -4.623 27.598 -4.008) 28.268 6.297 ( -4.623 27.598 4.008) 28.268 6.879 ( 6.217 0.683 -3.769) 7.302 6.879 ( 6.217 0.683 3.769) 7.302 7.125 ( 2.762 0.519 -1.323) 3.106 7.125 ( 2.762 0.519 1.323) 3.106 7.282 ( 8.299 2.864 -1.681) 8.939 7.282 ( 8.299 2.864 1.681) 8.939 7.781 ( -6.197 4.191 -2.960) 8.045 7.781 ( -6.197 4.191 2.960) 8.045 8.032 ( -4.475 3.871 -5.050) 7.779 8.032 ( -4.475 3.871 5.050) 7.779 8.765 ( 3.276 8.272 -0.842) 8.937 8.765 ( 3.276 8.272 0.842) 8.937 8.887 ( 1.589 -1.838 -4.620) 5.220 8.887 ( 1.589 -1.838 4.620) 5.220 9.235 ( -0.687 2.586 -2.247) 3.494 9.235 ( -0.687 2.586 2.247) 3.494 9.611 ( -0.756 6.482 -2.574) 7.015 9.611 ( -0.756 6.482 2.574) 7.015 9.803 ( 0.270 11.858 -3.450) 12.353 9.803 ( 0.270 11.858 3.450) 12.353 10.140 ( -2.541 9.498 -7.313) 12.253 10.140 ( -2.541 9.498 7.313) 12.253 10.273 ( 3.002 2.765 -5.957) 7.221 10.273 ( 3.002 2.765 5.957) 7.221 10.876 ( -9.421 3.591 -2.282) 10.337 10.876 ( -9.421 3.591 2.282) 10.337 11.091 ( -9.816 2.568 -10.367) 14.506 11.091 ( -9.816 2.568 10.367) 14.506 11.506 ( 3.387 14.231 -6.551) 16.029 11.506 ( 3.387 14.231 6.551) 16.029 11.949 ( -1.990 -12.570 -3.310) 13.150 11.949 ( -1.990 -12.570 3.310) 13.150 12.091 ( -0.777 -24.643 -6.664) 25.540 12.091 ( -0.777 -24.643 6.664) 25.540 12.277 ( 4.631 -8.596 -7.541) 12.337 12.277 ( 4.631 -8.596 7.541) 12.337 12.542 ( 11.069 3.992 -17.394) 21.000 12.542 ( 11.069 3.992 17.394) 21.000 13.242 ( -8.307 -2.425 -6.674) 10.928 13.242 ( -8.307 -2.425 6.674) 10.928 14.032 ( 11.302 5.739 -7.148) 14.552 14.032 ( 11.302 5.739 7.148) 14.552 14.851 ( -7.768 0.568 -9.036) 11.929 14.851 ( -7.768 0.568 9.036) 11.929 15.192 ( -0.586 16.107 -8.171) 18.071 15.192 ( -0.586 16.107 8.171) 18.071 15.447 ( -0.839 1.070 -3.702) 3.943 15.447 ( -0.839 1.070 3.702) 3.943 16.479 ( -0.853 -15.124 -1.361) 15.209 16.479 ( -0.853 -15.124 1.361) 15.209 16.542 ( 0.897 -13.145 -0.625) 13.190 16.542 ( 0.897 -13.145 0.625) 13.190 18.097 ( 3.355 5.772 -29.677) 30.419 18.097 ( 3.355 5.772 29.677) 30.419 19.664 ( -12.200 -13.713 -15.126) 23.784 19.664 ( -12.200 -13.713 15.126) 23.784 20.641 ( -9.594 16.726 -3.339) 19.569 20.641 ( -9.594 16.726 3.339) 19.569 20.860 ( -3.100 12.525 -3.439) 13.354 20.860 ( -3.100 12.525 3.439) 13.354 23.797 ( 10.869 -7.971 -9.503) 16.492 23.797 ( 10.869 -7.971 9.503) 16.492 24.731 ( 4.796 -21.804 -6.975) 23.390 24.731 ( 4.796 -21.804 6.975) 23.390 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 3.863 18.307 -4.203) 19.177 1.775 ( 3.863 18.307 4.203) 19.177 2.035 ( 7.996 11.757 -12.653) 19.033 2.035 ( 7.996 11.757 12.653) 19.033 2.301 ( -0.888 9.625 -2.393) 9.957 2.301 ( -0.888 9.625 2.393) 9.957 2.497 ( -15.921 9.499 -8.483) 20.388 2.497 ( -15.921 9.499 8.483) 20.388 2.983 ( -0.310 9.889 -1.549) 10.014 2.983 ( -0.310 9.889 1.549) 10.014 3.217 ( -0.945 3.686 -1.366) 4.043 3.217 ( -0.945 3.686 1.366) 4.043 3.585 ( 6.769 13.301 -7.062) 16.511 3.585 ( 6.769 13.301 7.062) 16.511 3.688 ( 4.668 13.670 -4.617) 15.165 3.688 ( 4.668 13.670 4.617) 15.165 3.807 ( 2.672 13.936 -8.923) 16.762 3.807 ( 2.672 13.936 8.923) 16.762 4.026 ( -4.091 13.698 -8.981) 16.883 4.026 ( -4.091 13.698 8.981) 16.883 4.558 ( -2.381 6.011 -2.826) 7.056 4.558 ( -2.381 6.011 2.826) 7.056 4.792 ( -0.135 2.128 -2.370) 3.188 4.792 ( -0.135 2.128 2.370) 3.188 5.578 ( 3.960 0.599 -0.948) 4.115 5.578 ( 3.960 0.599 0.948) 4.115 5.814 ( -1.120 7.256 -0.760) 7.381 5.814 ( -1.120 7.256 0.760) 7.381 6.085 ( 1.483 41.393 -1.242) 41.438 6.085 ( 1.483 41.393 1.242) 41.438 6.200 ( -4.362 26.361 -2.353) 26.823 6.200 ( -4.362 26.361 2.353) 26.823 6.985 ( 3.494 1.422 -1.780) 4.171 6.985 ( 3.494 1.422 1.780) 4.171 7.171 ( 1.407 -0.703 -0.990) 1.858 7.171 ( 1.407 -0.703 0.990) 1.858 7.490 ( 11.854 1.397 -2.238) 12.144 7.490 ( 11.854 1.397 2.238) 12.144 7.679 ( -4.665 3.680 -2.355) 6.391 7.679 ( -4.665 3.680 2.355) 6.391 7.892 ( -8.086 3.607 -2.019) 9.081 7.892 ( -8.086 3.607 2.019) 9.081 8.806 ( 0.850 -3.180 -1.597) 3.659 8.806 ( 0.850 -3.180 1.597) 3.659 8.978 ( 7.409 8.488 -3.322) 11.746 8.978 ( 7.409 8.488 3.322) 11.746 9.163 ( -6.817 1.906 -1.807) 7.305 9.163 ( -6.817 1.906 1.807) 7.305 9.624 ( 1.674 10.355 -1.873) 10.656 9.624 ( 1.674 10.355 1.873) 10.656 9.796 ( -0.786 11.525 -2.345) 11.788 9.796 ( -0.786 11.525 2.345) 11.788 10.092 ( -1.594 4.324 -2.178) 5.097 10.092 ( -1.594 4.324 2.178) 5.097 10.373 ( 6.620 10.245 -1.673) 12.312 10.373 ( 6.620 10.245 1.673) 12.312 10.654 ( -11.229 8.569 -5.041) 14.998 10.654 ( -11.229 8.569 5.041) 14.998 10.946 ( -4.145 0.181 -4.473) 6.101 10.946 ( -4.145 0.181 4.473) 6.101 11.556 ( 1.485 14.906 -1.608) 15.066 11.556 ( 1.485 14.906 1.608) 15.066 11.934 ( -0.092 -20.813 -1.382) 20.859 11.934 ( -0.092 -20.813 1.382) 20.859 12.078 ( -0.424 -24.478 -2.742) 24.635 12.078 ( -0.424 -24.478 2.742) 24.635 12.350 ( 2.442 -7.367 -2.278) 8.088 12.350 ( 2.442 -7.367 2.278) 8.088 12.746 ( 8.402 4.433 -8.452) 12.716 12.746 ( 8.402 4.433 8.452) 12.716 13.079 ( -7.277 -3.518 -5.174) 9.597 13.079 ( -7.277 -3.518 5.174) 9.597 14.290 ( 14.533 6.779 -10.175) 18.992 14.290 ( 14.533 6.779 10.175) 18.992 14.630 ( -13.982 2.687 -11.153) 18.086 14.630 ( -13.982 2.687 11.153) 18.086 15.191 ( 0.225 14.383 -2.928) 14.680 15.191 ( 0.225 14.383 2.928) 14.680 15.434 ( -0.351 1.670 -1.207) 2.090 15.434 ( -0.351 1.670 1.207) 2.090 16.465 ( -0.446 -15.409 -0.456) 15.423 16.465 ( -0.446 -15.409 0.456) 15.423 16.556 ( 0.421 -13.042 -0.289) 13.052 16.556 ( 0.421 -13.042 0.289) 13.052 18.165 ( 2.788 5.427 -13.972) 15.246 18.165 ( 2.788 5.427 13.972) 15.246 19.418 ( -9.396 -13.120 -11.109) 19.592 19.418 ( -9.396 -13.120 11.109) 19.592 20.520 ( -2.748 22.514 -1.132) 22.709 20.520 ( -2.748 22.514 1.132) 22.709 20.814 ( -1.483 15.120 -1.097) 15.232 20.814 ( -1.483 15.120 1.097) 15.232 23.953 ( 4.373 -10.723 -4.742) 12.513 23.953 ( 4.373 -10.723 4.742) 12.513 24.821 ( 3.223 -24.332 -2.713) 24.694 24.821 ( 3.223 -24.332 2.713) 24.694 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.000 21.691 -6.071) 22.524 1.982 ( 0.000 21.691 6.071) 22.524 2.301 ( 0.000 16.820 -7.978) 18.616 2.301 ( 0.000 16.820 7.978) 18.616 2.602 ( 0.000 12.531 -5.060) 13.514 2.602 ( 0.000 12.531 5.060) 13.514 3.175 ( 0.000 4.422 -0.268) 4.430 3.175 ( 0.000 4.422 0.268) 4.430 3.228 ( 0.000 8.960 -2.856) 9.404 3.228 ( 0.000 8.960 2.856) 9.404 3.387 ( 0.000 2.755 -11.441) 11.768 3.387 ( 0.000 2.755 11.441) 11.768 3.487 ( 0.000 5.617 -1.175) 5.738 3.487 ( 0.000 5.617 1.175) 5.738 3.758 ( 0.000 17.344 -1.841) 17.441 3.758 ( 0.000 17.344 1.841) 17.441 4.047 ( 0.000 18.383 -8.641) 20.313 4.047 ( 0.000 18.383 8.641) 20.313 4.325 ( 0.000 11.883 -11.935) 16.842 4.325 ( 0.000 11.883 11.935) 16.842 4.727 ( 0.000 5.945 -3.958) 7.142 4.727 ( 0.000 5.945 3.958) 7.142 4.920 ( 0.000 5.159 -8.381) 9.842 4.920 ( 0.000 5.159 8.381) 9.842 5.507 ( 0.000 3.227 -0.698) 3.302 5.507 ( 0.000 3.227 0.698) 3.302 5.782 ( 0.000 -4.451 -3.998) 5.983 5.782 ( 0.000 -4.451 3.998) 5.983 6.639 ( 0.000 11.581 -1.752) 11.712 6.639 ( 0.000 11.581 1.752) 11.712 6.895 ( 0.000 8.716 -1.253) 8.806 6.895 ( 0.000 8.716 1.253) 8.806 7.022 ( 0.000 26.653 -2.126) 26.737 7.022 ( 0.000 26.653 2.126) 26.737 7.211 ( 0.000 11.523 -1.252) 11.591 7.211 ( 0.000 11.523 1.252) 11.591 7.363 ( 0.000 15.411 -3.334) 15.768 7.363 ( 0.000 15.411 3.334) 15.768 8.018 ( 0.000 11.567 -1.372) 11.648 8.018 ( 0.000 11.567 1.372) 11.648 8.209 ( 0.000 9.772 -5.881) 11.405 8.209 ( 0.000 9.772 5.881) 11.405 8.826 ( 0.000 2.703 -3.898) 4.743 8.826 ( 0.000 2.703 3.898) 4.743 8.999 ( 0.000 13.344 -2.367) 13.553 8.999 ( 0.000 13.344 2.367) 13.553 9.366 ( 0.000 11.201 -1.435) 11.293 9.366 ( 0.000 11.201 1.435) 11.293 9.666 ( 0.000 0.710 -0.798) 1.068 9.666 ( 0.000 0.710 0.798) 1.068 9.912 ( 0.000 -4.888 -7.543) 8.988 9.912 ( 0.000 -4.888 7.543) 8.988 10.225 ( 0.000 7.235 -15.535) 17.137 10.225 ( 0.000 7.235 15.535) 17.137 10.486 ( 0.000 7.867 -0.912) 7.920 10.486 ( 0.000 7.867 0.912) 7.920 10.827 ( 0.000 -19.836 -4.968) 20.449 10.827 ( 0.000 -19.836 4.968) 20.449 11.014 ( 0.000 -7.853 -8.012) 11.219 11.014 ( 0.000 -7.853 8.012) 11.219 11.505 ( 0.000 -14.094 -4.067) 14.670 11.505 ( 0.000 -14.094 4.067) 14.670 11.825 ( 0.000 9.176 -6.201) 11.075 11.825 ( 0.000 9.176 6.201) 11.075 11.998 ( 0.000 -4.945 -9.024) 10.290 11.998 ( 0.000 -4.945 9.024) 10.290 12.115 ( 0.000 5.831 -15.550) 16.608 12.115 ( 0.000 5.831 15.550) 16.608 12.642 ( 0.000 13.492 -35.699) 38.163 12.642 ( 0.000 13.492 35.699) 38.163 13.283 ( 0.000 -2.469 -5.776) 6.281 13.283 ( 0.000 -2.469 5.776) 6.281 14.034 ( 0.000 6.832 -4.603) 8.238 14.034 ( 0.000 6.832 4.603) 8.238 14.871 ( 0.000 -3.193 -9.940) 10.440 14.871 ( 0.000 -3.193 9.940) 10.440 15.305 ( 0.000 -7.322 -1.844) 7.551 15.305 ( 0.000 -7.322 1.844) 7.551 15.391 ( 0.000 -7.943 -1.348) 8.056 15.391 ( 0.000 -7.943 1.348) 8.056 16.377 ( 0.000 4.618 -7.067) 8.442 16.377 ( 0.000 4.618 7.067) 8.442 16.414 ( 0.000 2.059 -2.067) 2.917 16.414 ( 0.000 2.059 2.067) 2.917 18.117 ( 0.000 0.099 -33.871) 33.871 18.117 ( 0.000 0.099 33.871) 33.871 19.394 ( 0.000 -23.124 -20.694) 31.031 19.394 ( 0.000 -23.124 20.694) 31.031 20.949 ( 0.000 7.005 -3.086) 7.654 20.949 ( 0.000 7.005 3.086) 7.654 21.190 ( 0.000 15.557 -0.138) 15.557 21.190 ( 0.000 15.557 0.138) 15.557 23.586 ( 0.000 -2.936 -3.449) 4.529 23.586 ( 0.000 -2.936 3.449) 4.529 24.246 ( 0.000 -21.414 -5.680) 22.154 24.246 ( 0.000 -21.414 5.680) 22.154 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 6.117 20.389 -5.079) 21.885 2.044 ( 6.117 20.389 5.079) 21.885 2.282 ( -1.495 15.742 -6.745) 17.191 2.282 ( -1.495 15.742 6.745) 17.191 2.582 ( -2.137 12.340 -4.451) 13.291 2.582 ( -2.137 12.340 4.451) 13.291 2.987 ( -14.168 7.695 -5.686) 17.096 2.987 ( -14.168 7.695 5.686) 17.096 3.238 ( -2.677 10.452 -3.715) 11.411 3.238 ( -2.677 10.452 3.715) 11.411 3.328 ( -1.571 3.931 -3.403) 5.431 3.328 ( -1.571 3.931 3.403) 5.431 3.587 ( 8.463 4.502 -4.593) 10.629 3.587 ( 8.463 4.502 4.593) 10.629 3.890 ( 8.577 15.262 -1.796) 17.599 3.890 ( 8.577 15.262 1.796) 17.599 4.058 ( 1.439 15.717 -7.841) 17.623 4.058 ( 1.439 15.717 7.841) 17.623 4.322 ( 0.023 12.444 -13.129) 18.090 4.322 ( 0.023 12.444 13.129) 18.090 4.742 ( 0.954 6.714 -7.066) 9.794 4.742 ( 0.954 6.714 7.066) 9.794 4.892 ( -2.446 6.350 -6.295) 9.270 4.892 ( -2.446 6.350 6.295) 9.270 5.528 ( 2.068 1.746 -1.524) 3.106 5.528 ( 2.068 1.746 1.524) 3.106 5.771 ( -0.966 -4.925 -3.007) 5.851 5.771 ( -0.966 -4.925 3.007) 5.851 6.674 ( 2.846 13.195 -0.814) 13.523 6.674 ( 2.846 13.195 0.814) 13.523 6.901 ( -0.301 15.017 -0.640) 15.033 6.901 ( -0.301 15.017 0.640) 15.033 7.016 ( 0.955 18.761 -2.914) 19.010 7.016 ( 0.955 18.761 2.914) 19.010 7.234 ( 1.307 13.433 -2.670) 13.758 7.234 ( 1.307 13.433 2.670) 13.758 7.414 ( 5.991 11.738 -5.144) 14.147 7.414 ( 5.991 11.738 5.144) 14.147 7.969 ( -4.851 12.343 -2.910) 13.578 7.969 ( -4.851 12.343 2.910) 13.578 8.180 ( -3.287 11.818 -5.439) 13.418 8.180 ( -3.287 11.818 5.439) 13.418 8.814 ( -1.020 3.518 -2.800) 4.610 8.814 ( -1.020 3.518 2.800) 4.610 9.045 ( 4.400 12.242 -1.920) 13.150 9.045 ( 4.400 12.242 1.920) 13.150 9.332 ( -2.988 6.884 -1.428) 7.639 9.332 ( -2.988 6.884 1.428) 7.639 9.707 ( 2.765 3.549 -4.005) 6.023 9.707 ( 2.765 3.549 4.005) 6.023 9.926 ( 2.452 -3.071 -6.476) 7.576 9.926 ( 2.452 -3.071 6.476) 7.576 10.195 ( -2.717 8.545 -12.089) 15.051 10.195 ( -2.717 8.545 12.089) 15.051 10.522 ( 3.632 6.670 -2.026) 7.860 10.522 ( 3.632 6.670 2.026) 7.860 10.757 ( -6.960 -16.233 -2.175) 17.796 10.757 ( -6.960 -16.233 2.175) 17.796 10.971 ( -4.151 -9.090 -5.016) 11.181 10.971 ( -4.151 -9.090 5.016) 11.181 11.501 ( -0.377 -14.646 -4.701) 15.387 11.501 ( -0.377 -14.646 4.701) 15.387 11.684 ( -9.632 0.139 -11.963) 15.359 11.684 ( -9.632 0.139 11.963) 15.359 12.067 ( 3.269 12.022 -8.337) 14.991 12.067 ( 3.269 12.022 8.337) 14.991 12.169 ( 5.005 -2.190 -7.634) 9.387 12.169 ( 5.005 -2.190 7.634) 9.387 12.714 ( 6.711 10.174 -28.895) 31.360 12.714 ( 6.711 10.174 28.895) 31.360 13.200 ( -7.624 -1.313 -8.882) 11.779 13.200 ( -7.624 -1.313 8.882) 11.779 14.148 ( 10.829 6.012 -8.126) 14.814 14.148 ( 10.829 6.012 8.126) 14.814 14.825 ( -5.288 -2.064 -10.615) 12.038 14.825 ( -5.288 -2.064 10.615) 12.038 15.299 ( -0.674 -6.552 -0.823) 6.638 15.299 ( -0.674 -6.552 0.823) 6.638 15.376 ( -1.060 -8.579 -0.430) 8.655 15.376 ( -1.060 -8.579 0.430) 8.655 16.370 ( -0.701 4.900 -4.739) 6.853 16.370 ( -0.701 4.900 4.739) 6.853 16.419 ( 0.429 1.545 -1.018) 1.900 16.419 ( 0.429 1.545 1.018) 1.900 18.145 ( 2.703 -0.295 -30.267) 30.389 18.145 ( 2.703 -0.295 30.267) 30.389 19.281 ( -10.425 -21.135 -21.691) 32.029 19.281 ( -10.425 -21.135 21.691) 32.029 20.930 ( -1.304 10.704 -2.748) 11.127 20.930 ( -1.304 10.704 2.748) 11.127 21.169 ( -2.034 15.032 -0.969) 15.200 21.169 ( -2.034 15.032 0.969) 15.200 23.652 ( 5.507 -6.066 -5.595) 9.921 23.652 ( 5.507 -6.066 5.595) 9.921 24.275 ( 2.789 -21.873 -5.422) 22.707 24.275 ( 2.789 -21.873 5.422) 22.707 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 3.348 18.683 -1.743) 19.060 2.162 ( 3.348 18.683 1.743) 19.060 2.293 ( 4.660 12.464 -8.700) 15.898 2.293 ( 4.660 12.464 8.700) 15.898 2.519 ( -4.835 11.154 -3.821) 12.743 2.519 ( -4.835 11.154 3.821) 12.743 2.735 ( -9.084 13.152 -4.717) 16.665 2.735 ( -9.084 13.152 4.717) 16.665 3.208 ( -0.428 11.446 -1.533) 11.557 3.208 ( -0.428 11.446 1.533) 11.557 3.304 ( -0.875 4.817 -0.443) 4.916 3.304 ( -0.875 4.817 0.443) 4.916 3.765 ( 9.368 5.098 -3.561) 11.244 3.765 ( 9.368 5.098 3.561) 11.244 3.914 ( -5.316 9.083 -1.039) 10.575 3.914 ( -5.316 9.083 1.039) 10.575 4.148 ( 5.651 15.345 -6.110) 17.457 4.148 ( 5.651 15.345 6.110) 17.457 4.325 ( -0.177 14.055 -9.661) 17.056 4.325 ( -0.177 14.055 9.661) 17.056 4.735 ( -1.384 10.739 -6.206) 12.480 4.735 ( -1.384 10.739 6.206) 12.480 4.862 ( -0.323 5.305 -2.773) 5.995 4.862 ( -0.323 5.305 2.773) 5.995 5.568 ( 1.507 -0.411 -1.257) 2.005 5.568 ( 1.507 -0.411 1.257) 2.005 5.753 ( -0.720 -5.850 -1.046) 5.987 5.753 ( -0.720 -5.850 1.046) 5.987 6.718 ( 1.466 17.071 -1.541) 17.203 6.718 ( 1.466 17.071 1.541) 17.203 6.867 ( -2.025 22.271 -2.202) 22.471 6.867 ( -2.025 22.271 2.202) 22.471 7.080 ( 3.730 9.061 -1.428) 9.902 7.080 ( 3.730 9.061 1.428) 9.902 7.238 ( -0.620 13.109 -1.428) 13.202 7.238 ( -0.620 13.109 1.428) 13.202 7.585 ( 10.732 7.912 -5.568) 14.450 7.585 ( 10.732 7.912 5.568) 14.450 7.832 ( -9.362 9.189 -4.647) 13.917 7.832 ( -9.362 9.189 4.647) 13.917 8.113 ( -2.353 19.815 -2.303) 20.087 8.113 ( -2.353 19.815 2.303) 20.087 8.798 ( -0.518 3.814 -0.950) 3.965 8.798 ( -0.518 3.814 0.950) 3.965 9.141 ( 4.725 8.841 -1.481) 10.133 9.141 ( 4.725 8.841 1.481) 10.133 9.268 ( -3.475 6.782 -1.848) 7.842 9.268 ( -3.475 6.782 1.848) 7.842 9.722 ( -0.588 -1.190 -3.769) 3.996 9.722 ( -0.588 -1.190 3.769) 3.996 10.026 ( 6.404 8.758 -4.514) 11.751 10.026 ( 6.404 8.758 4.514) 11.751 10.141 ( -2.652 8.324 -7.030) 11.214 10.141 ( -2.652 8.324 7.030) 11.214 10.565 ( -3.263 -9.105 -5.508) 11.130 10.565 ( -3.263 -9.105 5.508) 11.130 10.652 ( 1.288 -0.652 -5.264) 5.459 10.652 ( 1.288 -0.652 5.264) 5.459 10.874 ( -4.987 -7.509 -2.814) 9.443 10.874 ( -4.987 -7.509 2.814) 9.443 11.498 ( 0.560 -13.310 -6.389) 14.775 11.498 ( 0.560 -13.310 6.389) 14.775 11.543 ( -4.657 -7.755 -9.083) 12.819 11.543 ( -4.657 -7.755 9.083) 12.819 12.104 ( 0.884 15.813 -4.266) 16.402 12.104 ( 0.884 15.813 4.266) 16.402 12.255 ( 2.931 -2.950 -4.726) 6.295 12.255 ( 2.931 -2.950 4.726) 6.295 12.862 ( 8.264 5.832 -18.494) 21.079 12.862 ( 8.264 5.832 18.494) 21.079 13.036 ( -8.815 0.364 -12.335) 15.165 13.036 ( -8.815 0.364 12.335) 15.165 14.398 ( 14.366 4.436 -11.203) 18.750 14.398 ( 14.366 4.436 11.203) 18.750 14.659 ( -11.916 0.946 -11.733) 16.750 14.659 ( -11.916 0.946 11.733) 16.750 15.286 ( -0.452 -5.784 -0.088) 5.803 15.286 ( -0.452 -5.784 0.088) 5.803 15.364 ( -0.214 -9.539 -0.505) 9.555 15.364 ( -0.214 -9.539 0.505) 9.555 16.357 ( -0.472 5.209 -1.463) 5.431 16.357 ( -0.472 5.209 1.463) 5.431 16.426 ( 0.256 0.920 -0.427) 1.046 16.426 ( 0.256 0.920 0.427) 1.046 18.200 ( 2.250 -1.095 -14.326) 14.543 18.200 ( 2.250 -1.095 14.326) 14.543 19.091 ( -6.829 -17.461 -12.083) 22.305 19.091 ( -6.829 -17.461 12.083) 22.305 20.917 ( -0.090 15.127 -1.429) 15.195 20.917 ( -0.090 15.127 1.429) 15.195 21.129 ( -1.517 14.134 -0.802) 14.238 21.129 ( -1.517 14.134 0.802) 14.238 23.738 ( 2.647 -9.792 -3.047) 10.591 23.738 ( 2.647 -9.792 3.047) 10.591 24.328 ( 1.934 -22.793 -2.417) 23.002 24.328 ( 1.934 -22.793 2.417) 23.002 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 0.000 17.059 -3.560) 17.426 2.398 ( 0.000 17.059 3.560) 17.426 2.551 ( 0.000 9.732 -2.213) 9.981 2.551 ( 0.000 9.732 2.213) 9.981 2.907 ( 0.000 15.368 -5.790) 16.423 2.907 ( 0.000 15.368 5.790) 16.423 3.249 ( 0.000 2.086 -0.310) 2.109 3.249 ( 0.000 2.086 0.310) 2.109 3.331 ( 0.000 -0.020 -9.227) 9.227 3.331 ( 0.000 -0.020 9.227) 9.227 3.460 ( 0.000 6.091 -1.592) 6.296 3.460 ( 0.000 6.091 1.592) 6.296 3.604 ( 0.000 5.610 -0.974) 5.694 3.604 ( 0.000 5.610 0.974) 5.694 4.044 ( 0.000 10.100 -9.360) 13.770 4.044 ( 0.000 10.100 9.360) 13.770 4.314 ( 0.000 6.929 -0.456) 6.944 4.314 ( 0.000 6.929 0.456) 6.944 4.525 ( 0.000 7.418 -16.740) 18.310 4.525 ( 0.000 7.418 16.740) 18.310 4.927 ( 0.000 13.695 -4.755) 14.496 4.927 ( 0.000 13.695 4.755) 14.496 5.031 ( 0.000 4.754 -5.630) 7.369 5.031 ( 0.000 4.754 5.630) 7.369 5.596 ( 0.000 5.148 -5.013) 7.186 5.596 ( 0.000 5.148 5.013) 7.186 5.723 ( 0.000 -0.000 -3.827) 3.827 5.723 ( 0.000 -0.000 3.827) 3.827 6.756 ( 0.000 5.382 -3.527) 6.435 6.756 ( 0.000 5.382 3.527) 6.435 7.042 ( 0.000 5.568 -0.619) 5.602 7.042 ( 0.000 5.568 0.619) 5.602 7.338 ( 0.000 9.262 -7.920) 12.186 7.338 ( 0.000 9.262 7.920) 12.186 7.476 ( 0.000 12.101 -1.197) 12.160 7.476 ( 0.000 12.101 1.197) 12.160 7.761 ( 0.000 16.255 -4.891) 16.975 7.761 ( 0.000 16.255 4.891) 16.975 8.258 ( 0.000 10.104 -8.312) 13.084 8.258 ( 0.000 10.104 8.312) 13.084 8.464 ( 0.000 14.253 -5.485) 15.272 8.464 ( 0.000 14.253 5.485) 15.272 8.966 ( 0.000 9.884 -1.167) 9.952 8.966 ( 0.000 9.884 1.167) 9.952 9.296 ( 0.000 13.560 -3.004) 13.888 9.296 ( 0.000 13.560 3.004) 13.888 9.617 ( 0.000 -2.553 -1.919) 3.194 9.617 ( 0.000 -2.553 1.919) 3.194 9.671 ( 0.000 8.700 -0.820) 8.738 9.671 ( 0.000 8.700 0.820) 8.738 9.742 ( 0.000 -6.452 -5.417) 8.424 9.742 ( 0.000 -6.452 5.417) 8.424 10.165 ( 0.000 -16.830 -1.448) 16.892 10.165 ( 0.000 -16.830 1.448) 16.892 10.475 ( 0.000 0.690 -0.701) 0.984 10.475 ( 0.000 0.690 0.701) 0.984 10.609 ( 0.000 0.915 -4.299) 4.395 10.609 ( 0.000 0.915 4.299) 4.395 10.931 ( 0.000 -1.808 -12.902) 13.028 10.931 ( 0.000 -1.808 12.902) 13.028 11.420 ( 0.000 6.968 -1.023) 7.043 11.420 ( 0.000 6.968 1.023) 7.043 11.715 ( 0.000 -13.855 -17.824) 22.576 11.715 ( 0.000 -13.855 17.824) 22.576 12.046 ( 0.000 4.713 -2.142) 5.177 12.046 ( 0.000 4.713 2.142) 5.177 12.334 ( 0.000 10.175 -1.417) 10.273 12.334 ( 0.000 10.175 1.417) 10.273 12.903 ( 0.000 11.656 -31.690) 33.765 12.903 ( 0.000 11.656 31.690) 33.765 13.238 ( 0.000 -2.126 -3.819) 4.371 13.238 ( 0.000 -2.126 3.819) 4.371 14.186 ( 0.000 7.690 -0.050) 7.690 14.186 ( 0.000 7.690 0.050) 7.690 14.820 ( 0.000 -1.850 -9.456) 9.635 14.820 ( 0.000 -1.850 9.456) 9.635 15.066 ( 0.000 -12.455 -9.736) 15.809 15.066 ( 0.000 -12.455 9.736) 15.809 15.152 ( 0.000 -13.016 -2.509) 13.256 15.152 ( 0.000 -13.016 2.509) 13.256 16.540 ( 0.000 8.899 -4.086) 9.792 16.540 ( 0.000 8.899 4.086) 9.792 16.575 ( 0.000 11.003 -10.291) 15.065 16.575 ( 0.000 11.003 10.291) 15.065 18.100 ( 0.000 -0.933 -28.738) 28.753 18.100 ( 0.000 -0.933 28.738) 28.753 18.929 ( 0.000 -21.152 -23.632) 31.716 18.929 ( 0.000 -21.152 23.632) 31.716 21.061 ( 0.000 3.808 -2.098) 4.347 21.061 ( 0.000 3.808 2.098) 4.347 21.430 ( 0.000 7.140 -1.489) 7.293 21.430 ( 0.000 7.140 1.489) 7.293 23.534 ( 0.000 -2.392 -1.560) 2.856 23.534 ( 0.000 -2.392 1.560) 2.856 23.839 ( 0.000 -17.572 -3.475) 17.913 23.839 ( 0.000 -17.572 3.475) 17.913 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 3.460 15.383 -4.114) 16.295 2.432 ( 3.460 15.383 4.114) 16.295 2.543 ( -0.719 11.730 -1.981) 11.918 2.543 ( -0.719 11.730 1.981) 11.918 2.847 ( -5.465 12.109 -4.954) 14.179 2.847 ( -5.465 12.109 4.954) 14.179 3.133 ( -8.427 6.457 -5.193) 11.818 3.133 ( -8.427 6.457 5.193) 11.818 3.382 ( 2.237 1.419 -4.139) 4.914 3.382 ( 2.237 1.419 4.139) 4.914 3.439 ( -1.326 8.326 -2.570) 8.814 3.439 ( -1.326 8.326 2.570) 8.814 3.668 ( 6.380 3.583 -3.482) 8.103 3.668 ( 6.380 3.583 3.482) 8.103 4.130 ( 5.075 7.269 -4.686) 10.027 4.130 ( 5.075 7.269 4.686) 10.027 4.267 ( -2.056 5.897 -2.604) 6.766 4.267 ( -2.056 5.897 2.604) 6.766 4.541 ( 0.916 7.346 -16.356) 17.953 4.541 ( 0.916 7.346 16.356) 17.953 4.935 ( 1.068 12.845 -5.143) 13.878 4.935 ( 1.068 12.845 5.143) 13.878 5.048 ( 0.888 7.396 -4.619) 8.765 5.048 ( 0.888 7.396 4.619) 8.765 5.581 ( -1.023 3.422 -4.136) 5.464 5.581 ( -1.023 3.422 4.136) 5.464 5.706 ( -1.694 -0.332 -3.342) 3.761 5.706 ( -1.694 -0.332 3.342) 3.761 6.806 ( 4.914 5.675 -3.272) 8.189 6.806 ( 4.914 5.675 3.272) 8.189 7.070 ( 1.904 5.638 -1.928) 6.256 7.070 ( 1.904 5.638 1.928) 6.256 7.294 ( -3.198 8.774 -6.902) 11.612 7.294 ( -3.198 8.774 6.902) 11.612 7.524 ( 4.313 11.960 -5.093) 13.696 7.524 ( 4.313 11.960 5.093) 13.696 7.765 ( 0.478 16.020 -5.703) 17.011 7.765 ( 0.478 16.020 5.703) 17.011 8.186 ( -6.623 9.075 -9.289) 14.577 8.186 ( -6.623 9.075 9.289) 14.577 8.517 ( 4.411 17.742 -5.277) 19.028 8.517 ( 4.411 17.742 5.277) 19.028 8.966 ( -0.161 10.003 -0.873) 10.043 8.966 ( -0.161 10.003 0.873) 10.043 9.319 ( 2.290 12.029 -2.149) 12.432 9.319 ( 2.290 12.029 2.149) 12.432 9.479 ( -7.479 5.448 -3.352) 9.841 9.479 ( -7.479 5.448 3.352) 9.841 9.707 ( -1.603 -5.681 -8.028) 9.964 9.707 ( -1.603 -5.681 8.028) 9.964 9.842 ( 9.194 -2.786 -2.648) 9.965 9.842 ( 9.194 -2.786 2.648) 9.965 10.167 ( 0.055 -15.891 -0.723) 15.908 10.167 ( 0.055 -15.891 0.723) 15.908 10.498 ( 1.109 4.354 -2.962) 5.381 10.498 ( 1.109 4.354 2.962) 5.381 10.569 ( -2.661 -1.139 -3.926) 4.877 10.569 ( -2.661 -1.139 3.926) 4.877 10.891 ( -4.234 0.750 -11.028) 11.837 10.891 ( -4.234 0.750 11.028) 11.837 11.383 ( -2.556 2.612 -0.717) 3.724 11.383 ( -2.556 2.612 0.717) 3.724 11.635 ( -6.966 -6.434 -13.334) 16.363 11.635 ( -6.966 -6.434 13.334) 16.363 12.128 ( 6.579 1.522 -2.249) 7.118 12.128 ( 6.579 1.522 2.249) 7.118 12.332 ( -0.267 8.399 -2.407) 8.742 12.332 ( -0.267 8.399 2.407) 8.742 12.926 ( 2.335 9.954 -29.035) 30.783 12.926 ( 2.335 9.954 29.035) 30.783 13.190 ( -4.424 -0.004 -9.261) 10.264 13.190 ( -4.424 -0.004 9.261) 10.264 14.278 ( 8.876 6.404 -5.430) 12.219 14.278 ( 8.876 6.404 5.430) 12.219 14.797 ( -2.778 -0.580 -9.334) 9.756 14.797 ( -2.778 -0.580 9.334) 9.756 15.068 ( 0.207 -12.526 -9.354) 15.635 15.068 ( 0.207 -12.526 9.354) 15.635 15.128 ( -2.182 -13.322 -3.617) 13.976 15.128 ( -2.182 -13.322 3.617) 13.976 16.539 ( -0.067 8.623 -4.084) 9.541 16.539 ( -0.067 8.623 4.084) 9.541 16.570 ( -0.494 11.188 -8.784) 14.233 16.570 ( -0.494 11.188 8.784) 14.233 18.120 ( 1.951 -1.276 -25.733) 25.838 18.120 ( 1.951 -1.276 25.733) 25.838 18.860 ( -6.377 -19.106 -22.324) 30.068 18.860 ( -6.377 -19.106 22.324) 30.068 21.084 ( 2.239 4.652 -2.262) 5.636 21.084 ( 2.239 4.652 2.262) 5.636 21.401 ( -2.795 6.900 -1.728) 7.643 21.401 ( -2.795 6.900 1.728) 7.643 23.546 ( 1.106 -4.405 -2.470) 5.170 23.546 ( 1.106 -4.405 2.470) 5.170 23.868 ( 2.686 -17.220 -3.165) 17.714 23.868 ( 2.686 -17.220 3.165) 17.714 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 3.760 11.245 -5.540) 13.087 2.513 ( 3.760 11.245 5.540) 13.087 2.532 ( 0.012 15.017 -2.645) 15.248 2.532 ( 0.012 15.017 2.645) 15.248 2.739 ( -4.689 9.748 -2.831) 11.182 2.739 ( -4.689 9.748 2.831) 11.182 2.995 ( -4.660 11.331 -2.798) 12.567 2.995 ( -4.660 11.331 2.798) 12.567 3.404 ( 0.409 4.488 -1.636) 4.794 3.404 ( 0.409 4.488 1.636) 4.794 3.425 ( -0.269 8.941 -1.390) 9.052 3.425 ( -0.269 8.941 1.390) 9.052 3.818 ( 8.001 0.760 -2.193) 8.331 3.818 ( 8.001 0.760 2.193) 8.331 4.059 ( -7.533 4.058 -0.733) 8.588 4.059 ( -7.533 4.058 0.733) 8.588 4.371 ( 7.457 7.276 -1.735) 10.562 4.371 ( 7.457 7.276 1.735) 10.562 4.532 ( -2.072 5.451 -10.934) 12.392 4.532 ( -2.072 5.451 10.934) 12.392 4.971 ( 2.553 12.216 -5.232) 13.533 4.971 ( 2.553 12.216 5.232) 13.533 5.036 ( -2.171 10.599 -2.892) 11.199 5.036 ( -2.171 10.599 2.892) 11.199 5.576 ( 0.439 1.453 -2.171) 2.649 5.576 ( 0.439 1.453 2.171) 2.649 5.669 ( -1.634 -1.440 -1.607) 2.707 5.669 ( -1.634 -1.440 1.607) 2.707 6.919 ( 6.206 7.227 -3.697) 10.218 6.919 ( 6.206 7.227 3.697) 10.218 7.049 ( -4.336 4.933 -4.062) 7.722 7.049 ( -4.336 4.933 4.062) 7.722 7.282 ( 1.595 8.165 -3.136) 8.891 7.282 ( 1.595 8.165 3.136) 8.891 7.586 ( 0.999 12.281 -2.837) 12.644 7.586 ( 0.999 12.281 2.837) 12.644 7.809 ( 4.646 12.543 -7.788) 15.478 7.809 ( 4.646 12.543 7.788) 15.478 8.038 ( -7.657 10.931 -8.529) 15.839 8.038 ( -7.657 10.931 8.529) 15.839 8.593 ( 2.698 22.380 -2.579) 22.689 8.593 ( 2.698 22.380 2.579) 22.689 8.957 ( -0.574 9.975 -0.232) 9.994 8.957 ( -0.574 9.975 0.232) 9.994 9.334 ( -1.857 7.238 -2.715) 7.951 9.334 ( -1.857 7.238 2.715) 7.951 9.414 ( 1.460 7.962 -3.958) 9.011 9.414 ( 1.460 7.962 3.958) 9.011 9.664 ( -2.129 -2.045 -5.087) 5.882 9.664 ( -2.129 -2.045 5.087) 5.882 10.003 ( 6.356 -17.731 -2.251) 18.970 10.003 ( 6.356 -17.731 2.251) 18.970 10.160 ( -0.876 -10.675 -2.559) 11.013 10.160 ( -0.876 -10.675 2.559) 11.013 10.435 ( -4.261 8.372 -1.696) 9.546 10.435 ( -4.261 8.372 1.696) 9.546 10.622 ( 6.167 1.984 -1.547) 6.660 10.622 ( 6.167 1.984 1.547) 6.660 10.774 ( -7.410 2.105 -5.413) 9.415 10.774 ( -7.410 2.105 5.413) 9.415 11.377 ( 2.377 -1.923 -5.019) 5.877 11.377 ( 2.377 -1.923 5.019) 5.877 11.495 ( -6.690 -0.349 -9.337) 11.492 11.495 ( -6.690 -0.349 9.337) 11.492 12.239 ( 4.138 1.298 -3.456) 5.546 12.239 ( 4.138 1.298 3.456) 5.546 12.319 ( -1.108 4.790 -2.893) 5.704 12.319 ( -1.108 4.790 2.893) 5.704 12.983 ( 3.172 5.939 -19.704) 20.823 12.983 ( 3.172 5.939 19.704) 20.823 13.100 ( -4.261 4.546 -12.825) 14.258 13.100 ( -4.261 4.546 12.825) 14.258 14.477 ( 10.467 2.900 -7.494) 13.196 14.477 ( 10.467 2.900 7.494) 13.196 14.700 ( -7.205 3.531 -8.390) 11.609 14.700 ( -7.205 3.531 8.390) 11.609 15.073 ( 0.438 -13.260 -8.299) 15.649 15.073 ( 0.438 -13.260 8.299) 15.649 15.090 ( -1.443 -13.482 -6.211) 14.913 15.090 ( -1.443 -13.482 6.211) 14.913 16.538 ( -0.036 8.126 -2.186) 8.415 16.538 ( -0.036 8.126 2.186) 8.415 16.560 ( -0.327 11.558 -3.818) 12.176 16.560 ( -0.327 11.558 3.818) 12.176 18.160 ( 1.617 -1.971 -12.236) 12.499 18.160 ( 1.617 -1.971 12.236) 12.499 18.743 ( -4.235 -15.805 -11.329) 19.902 18.743 ( -4.235 -15.805 11.329) 19.902 21.132 ( 2.123 6.268 -1.527) 6.791 21.132 ( 2.123 6.268 1.527) 6.791 21.343 ( -2.464 6.167 -1.298) 6.767 21.343 ( -2.464 6.167 1.298) 6.767 23.565 ( 0.592 -7.037 -1.264) 7.174 23.565 ( 0.592 -7.037 1.264) 7.174 23.916 ( 1.660 -17.069 -1.305) 17.199 23.916 ( 1.660 -17.069 1.305) 17.199 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.000 4.705 -0.419) 4.723 2.600 ( 0.000 4.705 0.419) 4.723 2.796 ( 0.000 12.074 -2.200) 12.273 2.796 ( 0.000 12.074 2.200) 12.273 3.163 ( 0.000 7.902 -2.042) 8.162 3.163 ( 0.000 7.902 2.043) 8.162 3.221 ( 0.000 -3.974 -2.592) 4.744 3.221 ( 0.000 -3.974 2.592) 4.744 3.350 ( 0.000 4.232 -2.754) 5.049 3.350 ( 0.000 4.232 2.754) 5.049 3.579 ( 0.000 4.683 -0.607) 4.722 3.579 ( 0.000 4.683 0.607) 4.722 3.702 ( 0.000 3.463 -0.187) 3.468 3.702 ( 0.000 3.463 0.187) 3.468 4.125 ( 0.000 -2.091 -8.911) 9.153 4.125 ( 0.000 -2.091 8.911) 9.153 4.435 ( 0.000 6.358 -1.876) 6.629 4.435 ( 0.000 6.358 1.876) 6.629 4.628 ( 0.000 3.272 -10.317) 10.824 4.628 ( 0.000 3.272 10.317) 10.824 5.109 ( 0.000 3.184 -2.036) 3.780 5.109 ( 0.000 3.184 2.036) 3.780 5.203 ( 0.000 10.865 -6.561) 12.692 5.203 ( 0.000 10.865 6.561) 12.692 5.684 ( 0.000 4.301 -6.632) 7.904 5.684 ( 0.000 4.301 6.632) 7.904 5.801 ( 0.000 5.616 -1.323) 5.770 5.801 ( 0.000 5.616 1.323) 5.770 6.926 ( 0.000 10.971 -4.261) 11.769 6.926 ( 0.000 10.971 4.261) 11.769 7.152 ( 0.000 5.373 -0.007) 5.373 7.152 ( 0.000 5.373 0.007) 5.373 7.464 ( 0.000 3.223 -9.996) 10.503 7.464 ( 0.000 3.223 9.996) 10.503 7.687 ( 0.000 7.710 -3.735) 8.567 7.687 ( 0.000 7.710 3.735) 8.567 7.995 ( 0.000 8.570 -14.463) 16.811 7.995 ( 0.000 8.570 14.463) 16.811 8.388 ( 0.000 2.083 -12.114) 12.292 8.388 ( 0.000 2.083 12.114) 12.292 8.753 ( 0.000 13.560 -6.124) 14.879 8.753 ( 0.000 13.560 6.124) 14.879 9.153 ( 0.000 5.462 -2.157) 5.873 9.153 ( 0.000 5.462 2.157) 5.873 9.333 ( 0.000 -8.253 -10.402) 13.278 9.333 ( 0.000 -8.253 10.402) 13.278 9.486 ( 0.000 -17.989 -1.023) 18.018 9.486 ( 0.000 -17.989 1.023) 18.018 9.596 ( 0.000 4.556 -6.308) 7.781 9.596 ( 0.000 4.556 6.308) 7.781 9.707 ( 0.000 -0.625 -8.885) 8.907 9.707 ( 0.000 -0.625 8.885) 8.907 10.192 ( 0.000 13.095 -3.235) 13.488 10.192 ( 0.000 13.095 3.235) 13.488 10.490 ( 0.000 -1.813 -0.380) 1.852 10.490 ( 0.000 -1.813 0.380) 1.852 10.686 ( 0.000 6.108 -7.802) 9.909 10.686 ( 0.000 6.108 7.802) 9.909 10.920 ( 0.000 1.577 -14.296) 14.383 10.920 ( 0.000 1.577 14.296) 14.383 11.410 ( 0.000 -14.460 -12.093) 18.850 11.410 ( 0.000 -14.460 12.093) 18.850 11.701 ( 0.000 16.633 -0.392) 16.638 11.701 ( 0.000 16.633 0.392) 16.638 12.118 ( 0.000 2.643 -1.462) 3.020 12.118 ( 0.000 2.643 1.462) 3.020 12.458 ( 0.000 2.742 -3.489) 4.437 12.458 ( 0.000 2.742 3.489) 4.437 13.080 ( 0.000 4.706 -18.623) 19.208 13.080 ( 0.000 4.706 18.623) 19.208 13.190 ( 0.000 -2.400 -1.163) 2.667 13.190 ( 0.000 -2.400 1.163) 2.667 14.320 ( 0.000 4.054 -10.854) 11.587 14.320 ( 0.000 4.054 10.854) 11.587 14.744 ( 0.000 -5.837 -9.614) 11.247 14.744 ( 0.000 -5.837 9.614) 11.247 14.855 ( 0.000 -7.566 -11.310) 13.608 14.855 ( 0.000 -7.566 11.310) 13.608 15.001 ( 0.000 -0.004 -0.560) 0.560 15.001 ( 0.000 -0.004 0.560) 0.560 16.714 ( 0.000 7.330 -0.197) 7.333 16.714 ( 0.000 7.330 0.197) 7.333 16.770 ( 0.000 7.404 -11.026) 13.281 16.770 ( 0.000 7.404 11.026) 13.281 18.102 ( 0.000 1.225 -18.390) 18.431 18.102 ( 0.000 1.225 18.390) 18.431 18.559 ( 0.000 -14.494 -19.217) 24.070 18.559 ( 0.000 -14.494 19.217) 24.070 21.112 ( 0.000 1.469 -1.481) 2.086 21.112 ( 0.000 1.469 1.481) 2.086 21.484 ( 0.000 -1.097 -2.056) 2.330 21.484 ( 0.000 -1.097 2.056) 2.330 23.475 ( 0.000 -4.262 -0.321) 4.274 23.475 ( 0.000 -4.262 0.321) 4.274 23.559 ( 0.000 -8.511 -0.572) 8.530 23.559 ( 0.000 -8.511 0.572) 8.530 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 2.156 5.425 -3.213) 6.664 2.619 ( 2.156 5.425 3.213) 6.664 2.822 ( 2.462 12.857 -2.488) 13.325 2.822 ( 2.462 12.857 2.488) 13.325 3.018 ( -8.869 4.107 -4.315) 10.684 3.018 ( -8.869 4.107 4.315) 10.684 3.274 ( -3.313 7.787 -2.503) 8.825 3.274 ( -3.313 7.787 2.503) 8.825 3.366 ( 5.093 -2.325 -2.731) 6.229 3.366 ( 5.093 -2.325 2.731) 6.229 3.574 ( -0.844 4.366 -2.019) 4.884 3.574 ( -0.844 4.366 2.019) 4.884 3.735 ( 3.584 2.756 -0.625) 4.564 3.735 ( 3.584 2.756 0.625) 4.564 4.135 ( -0.877 -4.683 -5.231) 7.075 4.135 ( -0.877 -4.683 5.231) 7.075 4.413 ( 0.040 7.430 -4.293) 8.582 4.413 ( 0.040 7.430 4.293) 8.582 4.633 ( -0.049 2.788 -10.605) 10.966 4.633 ( -0.049 2.788 10.605) 10.966 5.163 ( 4.222 4.546 -5.778) 8.478 5.163 ( 4.222 4.546 5.778) 8.478 5.199 ( 0.147 10.267 -4.403) 11.172 5.199 ( 0.147 10.267 4.403) 11.172 5.662 ( -2.025 4.622 -5.268) 7.295 5.662 ( -2.025 4.622 5.268) 7.295 5.763 ( -3.481 4.556 -0.856) 5.797 5.763 ( -3.481 4.556 0.856) 5.797 6.970 ( 4.195 9.779 -3.893) 11.331 6.970 ( 4.195 9.779 3.893) 11.331 7.193 ( 3.257 6.915 -2.359) 8.000 7.193 ( 3.257 6.915 2.359) 8.000 7.412 ( -3.589 3.022 -8.094) 9.356 7.412 ( -3.589 3.022 8.094) 9.356 7.719 ( 2.160 6.282 -5.351) 8.530 7.719 ( 2.160 6.282 5.351) 8.530 8.003 ( 1.015 9.043 -14.363) 17.003 8.003 ( 1.015 9.043 14.363) 17.003 8.334 ( -5.039 4.219 -13.137) 14.689 8.334 ( -5.039 4.219 13.137) 14.689 8.820 ( 5.933 11.919 -5.646) 14.462 8.820 ( 5.933 11.919 5.646) 14.462 9.140 ( -1.260 4.730 -4.027) 6.338 9.140 ( -1.260 4.730 4.027) 6.338 9.336 ( 0.578 -9.272 -7.677) 12.052 9.336 ( 0.578 -9.272 7.677) 12.052 9.476 ( -1.838 -12.381 -6.347) 14.034 9.476 ( -1.838 -12.381 6.347) 14.034 9.607 ( 2.155 2.524 -2.386) 4.088 9.607 ( 2.155 2.524 2.386) 4.088 9.717 ( 0.736 -0.528 -8.587) 8.635 9.717 ( 0.736 -0.528 8.587) 8.635 10.146 ( -4.136 9.425 -3.836) 10.984 10.146 ( -4.136 9.425 3.836) 10.984 10.489 ( -1.375 -4.350 -4.227) 6.219 10.489 ( -1.375 -4.350 4.227) 6.219 10.697 ( 2.184 8.520 -8.411) 12.170 10.697 ( 2.184 8.520 8.411) 12.170 10.942 ( 1.635 3.736 -14.203) 14.777 10.942 ( 1.635 3.736 14.203) 14.777 11.354 ( -4.229 -8.958 -9.738) 13.891 11.354 ( -4.229 -8.958 9.738) 13.891 11.664 ( -4.069 12.189 -3.184) 13.239 11.664 ( -4.069 12.189 3.184) 13.239 12.173 ( 5.121 2.563 -0.278) 5.733 12.173 ( 5.121 2.563 0.278) 5.733 12.433 ( -2.441 2.500 -3.408) 4.881 12.433 ( -2.441 2.500 3.408) 4.881 13.076 ( -0.280 3.873 -15.781) 16.252 13.076 ( -0.280 3.873 15.781) 16.252 13.181 ( -0.853 -1.068 -3.137) 3.422 13.181 ( -0.853 -1.068 3.137) 3.422 14.378 ( 5.502 2.007 -10.084) 11.661 14.378 ( 5.502 2.007 10.084) 11.661 14.739 ( -0.650 -7.116 -6.493) 9.655 14.739 ( -0.650 -7.116 6.493) 9.655 14.855 ( -0.088 -5.515 -11.430) 12.692 14.855 ( -0.088 -5.515 11.430) 12.692 14.981 ( -1.869 0.319 -1.614) 2.490 14.981 ( -1.869 0.319 1.614) 2.490 16.710 ( -0.412 7.286 -1.185) 7.393 16.710 ( -0.412 7.286 1.185) 7.393 16.767 ( -0.298 7.340 -8.648) 11.347 16.767 ( -0.298 7.340 8.648) 11.347 18.116 ( 1.360 1.024 -16.607) 16.694 18.116 ( 1.360 1.024 16.607) 16.694 18.525 ( -3.141 -13.140 -17.480) 22.093 18.525 ( -3.141 -13.140 17.480) 22.093 21.140 ( 2.833 1.417 -1.714) 3.602 21.140 ( 2.833 1.417 1.714) 3.602 21.453 ( -3.058 -1.083 -2.096) 3.862 21.453 ( -3.058 -1.083 2.096) 3.862 23.462 ( -0.806 -4.061 -0.178) 4.144 23.462 ( -0.806 -4.061 0.178) 4.144 23.592 ( 2.635 -9.349 -0.353) 9.719 23.592 ( 2.635 -9.349 0.353) 9.719 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 4.180 6.856 -4.067) 9.001 2.683 ( 4.180 6.856 4.067) 9.001 2.830 ( -4.562 10.427 -3.267) 11.841 2.830 ( -4.562 10.427 3.267) 11.841 2.910 ( 0.351 8.681 -0.700) 8.716 2.910 ( 0.351 8.681 0.700) 8.716 3.185 ( -3.874 7.424 -1.931) 8.594 3.185 ( -3.874 7.424 1.931) 8.594 3.462 ( 3.860 0.539 -3.510) 5.245 3.462 ( 3.860 0.539 3.510) 5.245 3.545 ( -1.990 2.405 -3.063) 4.373 3.545 ( -1.990 2.405 3.063) 4.373 3.828 ( 5.172 0.854 -0.440) 5.261 3.828 ( 5.172 0.854 0.440) 5.261 4.054 ( -5.692 -3.984 -0.972) 7.016 4.054 ( -5.692 -3.984 0.972) 7.016 4.488 ( 6.407 4.652 -0.935) 7.973 4.488 ( 6.407 4.652 0.935) 7.973 4.600 ( -3.842 2.365 -6.956) 8.291 4.600 ( -3.842 2.365 6.956) 8.291 5.205 ( 1.462 9.388 -4.146) 10.366 5.205 ( 1.462 9.388 4.146) 10.366 5.230 ( 0.835 7.850 -0.963) 7.953 5.230 ( 0.835 7.850 0.963) 7.953 5.636 ( 0.175 4.173 -2.934) 5.104 5.636 ( 0.175 4.173 2.934) 5.104 5.692 ( -3.438 2.818 -1.709) 4.762 5.692 ( -3.438 2.818 1.709) 4.762 7.063 ( 4.718 6.549 -3.451) 8.778 7.063 ( 4.718 6.549 3.451) 8.778 7.199 ( -2.947 9.371 -4.434) 10.778 7.199 ( -2.947 9.371 4.434) 10.778 7.401 ( 1.970 4.258 -3.317) 5.746 7.401 ( 1.970 4.258 3.317) 5.746 7.735 ( -0.324 3.362 -2.819) 4.400 7.735 ( -0.324 3.362 2.819) 4.400 8.044 ( 2.975 10.106 -11.425) 15.541 8.044 ( 2.975 10.106 11.425) 15.541 8.227 ( -5.059 6.202 -10.711) 13.371 8.227 ( -5.059 6.202 10.711) 13.371 8.933 ( 4.718 10.656 -2.865) 12.001 8.933 ( 4.718 10.656 2.865) 12.001 9.104 ( -2.291 3.261 -3.333) 5.196 9.104 ( -2.291 3.261 3.333) 5.196 9.361 ( 1.814 -6.706 -3.516) 7.787 9.361 ( 1.814 -6.706 3.516) 7.787 9.426 ( -2.481 -10.038 -6.524) 12.227 9.426 ( -2.481 -10.038 6.524) 12.227 9.666 ( 2.676 2.344 -2.157) 4.160 9.666 ( 2.676 2.344 2.157) 4.160 9.728 ( 0.425 0.556 -5.180) 5.227 9.728 ( 0.425 0.556 5.180) 5.227 10.067 ( -3.120 3.255 -2.856) 5.337 10.067 ( -3.120 3.255 2.856) 5.337 10.437 ( -2.544 -4.892 -3.008) 6.281 10.437 ( -2.544 -4.892 3.008) 6.281 10.779 ( 5.116 6.768 -7.552) 11.359 10.779 ( 5.116 6.768 7.552) 11.359 10.934 ( -2.873 7.049 -9.491) 12.167 10.934 ( -2.873 7.049 9.491) 12.167 11.320 ( 0.981 -0.634 -3.817) 3.991 11.320 ( 0.981 -0.634 3.817) 3.991 11.566 ( -4.691 7.312 -3.114) 9.228 11.566 ( -4.691 7.312 3.114) 9.228 12.280 ( 5.462 2.180 -2.003) 6.213 12.280 ( 5.462 2.180 2.003) 6.213 12.371 ( -4.033 1.944 -2.927) 5.350 12.371 ( -4.033 1.944 2.927) 5.350 13.075 ( 0.074 2.554 -7.011) 7.462 13.075 ( 0.074 2.554 7.011) 7.462 13.164 ( -0.660 0.926 -2.567) 2.808 13.164 ( -0.660 0.926 2.567) 2.808 14.488 ( 4.494 -2.252 -5.774) 7.656 14.488 ( 4.494 -2.252 5.774) 7.656 14.718 ( -1.235 -9.562 -0.792) 9.674 14.718 ( -1.235 -9.562 0.792) 9.674 14.849 ( -0.425 1.267 -7.904) 8.017 14.849 ( -0.425 1.267 7.904) 8.017 14.947 ( -1.160 -1.136 -3.107) 3.506 14.947 ( -1.160 -1.136 3.107) 3.506 16.703 ( -0.255 7.196 -0.747) 7.239 16.703 ( -0.255 7.196 0.747) 7.239 16.761 ( -0.188 7.271 -3.148) 7.925 16.761 ( -0.188 7.271 3.148) 7.925 18.144 ( 1.120 0.622 -8.062) 8.163 18.144 ( 1.120 0.622 8.062) 8.163 18.466 ( -2.192 -10.931 -8.514) 14.028 18.466 ( -2.192 -10.931 8.514) 14.028 21.203 ( 2.961 1.576 -1.371) 3.623 21.203 ( 2.961 1.576 1.371) 3.623 21.386 ( -3.103 -1.288 -1.482) 3.672 21.386 ( -3.103 -1.288 1.482) 3.672 23.453 ( -0.208 -3.828 -0.058) 3.834 23.453 ( -0.208 -3.828 0.058) 3.834 23.634 ( 1.321 -10.588 -0.112) 10.670 23.634 ( 1.321 -10.588 0.112) 10.670 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 1.418 -0.114) 1.423 2.660 ( 0.000 1.418 0.114) 1.423 2.969 ( 0.000 4.425 -1.349) 4.626 2.969 ( 0.000 4.425 1.349) 4.626 3.137 ( 0.000 -2.700 -1.612) 3.145 3.137 ( 0.000 -2.700 1.612) 3.145 3.232 ( 0.000 0.470 -0.520) 0.701 3.232 ( 0.000 0.470 0.520) 0.701 3.500 ( 0.000 7.490 -0.026) 7.490 3.500 ( 0.000 7.490 0.026) 7.490 3.633 ( 0.000 0.108 -0.115) 0.158 3.633 ( 0.000 0.108 0.115) 0.158 3.740 ( 0.000 0.558 -0.091) 0.566 3.740 ( 0.000 0.558 0.091) 0.566 4.036 ( 0.000 -4.112 -3.661) 5.506 4.036 ( 0.000 -4.112 3.661) 5.506 4.543 ( 0.000 3.124 -2.073) 3.750 4.543 ( 0.000 3.124 2.073) 3.750 4.674 ( 0.000 1.215 -4.601) 4.759 4.674 ( 0.000 1.215 4.601) 4.759 5.160 ( 0.000 1.528 -0.958) 1.803 5.160 ( 0.000 1.528 0.958) 1.803 5.338 ( 0.000 2.811 -2.431) 3.716 5.338 ( 0.000 2.811 2.431) 3.716 5.775 ( 0.000 3.350 -1.990) 3.896 5.775 ( 0.000 3.350 1.990) 3.896 5.884 ( 0.000 1.940 -0.610) 2.034 5.884 ( 0.000 1.940 0.610) 2.034 7.140 ( 0.000 7.161 -2.177) 7.484 7.140 ( 0.000 7.161 2.177) 7.484 7.251 ( 0.000 3.692 -0.790) 3.776 7.251 ( 0.000 3.692 0.790) 3.776 7.489 ( 0.000 -0.125 -4.854) 4.855 7.489 ( 0.000 -0.125 4.854) 4.855 7.767 ( 0.000 0.792 -2.432) 2.558 7.767 ( 0.000 0.792 2.432) 2.558 8.146 ( 0.000 5.256 -10.889) 12.092 8.146 ( 0.000 5.256 10.889) 12.092 8.373 ( 0.000 -1.851 -5.348) 5.659 8.373 ( 0.000 -1.851 5.348) 5.659 8.993 ( 0.000 7.783 -6.265) 9.991 8.993 ( 0.000 7.783 6.265) 9.991 9.044 ( 0.000 -7.136 -5.023) 8.727 9.044 ( 0.000 -7.136 5.023) 8.727 9.208 ( 0.000 -7.326 -3.024) 7.926 9.208 ( 0.000 -7.326 3.024) 7.926 9.322 ( 0.000 1.578 -5.400) 5.626 9.322 ( 0.000 1.578 5.400) 5.626 9.675 ( 0.000 2.859 -1.119) 3.070 9.675 ( 0.000 2.859 1.119) 3.070 9.708 ( 0.000 -0.333 -2.522) 2.544 9.708 ( 0.000 -0.333 2.522) 2.543 10.409 ( 0.000 5.564 -3.366) 6.503 10.409 ( 0.000 5.564 3.366) 6.503 10.438 ( 0.000 -1.014 -5.760) 5.848 10.438 ( 0.000 -1.014 5.760) 5.848 10.723 ( 0.000 -1.048 -6.737) 6.818 10.723 ( 0.000 -1.048 6.737) 6.818 11.015 ( 0.000 3.137 -9.432) 9.940 11.015 ( 0.000 3.137 9.432) 9.940 11.188 ( 0.000 -4.854 -0.408) 4.871 11.188 ( 0.000 -4.854 0.408) 4.871 11.955 ( 0.000 5.787 -0.993) 5.871 11.955 ( 0.000 5.787 0.993) 5.871 12.174 ( 0.000 2.927 -1.323) 3.212 12.174 ( 0.000 2.927 1.323) 3.212 12.487 ( 0.000 0.612 -1.413) 1.540 12.487 ( 0.000 0.612 1.413) 1.540 13.106 ( 0.000 -0.488 -2.849) 2.890 13.106 ( 0.000 -0.488 2.849) 2.890 13.157 ( 0.000 -0.884 -2.776) 2.913 13.157 ( 0.000 -0.884 2.776) 2.913 14.332 ( 0.000 -1.219 -6.299) 6.416 14.332 ( 0.000 -1.219 6.299) 6.416 14.626 ( 0.000 -3.919 -1.750) 4.292 14.626 ( 0.000 -3.919 1.750) 4.292 14.816 ( 0.000 1.323 -7.449) 7.566 14.816 ( 0.000 1.323 7.449) 7.566 15.041 ( 0.000 1.790 -0.157) 1.797 15.041 ( 0.000 1.790 0.157) 1.797 16.817 ( 0.000 2.507 -1.587) 2.967 16.817 ( 0.000 2.507 1.587) 2.967 16.872 ( 0.000 2.556 -5.762) 6.304 16.872 ( 0.000 2.556 5.762) 6.303 18.136 ( 0.000 1.381 -5.970) 6.128 18.136 ( 0.000 1.381 5.970) 6.128 18.353 ( 0.000 -5.290 -7.739) 9.374 18.353 ( 0.000 -5.290 7.739) 9.374 21.131 ( 0.000 0.542 -0.624) 0.827 21.131 ( 0.000 0.542 0.624) 0.827 21.437 ( 0.000 -2.098 -1.059) 2.350 21.437 ( 0.000 -2.098 1.059) 2.350 23.373 ( 0.000 -3.253 -0.627) 3.313 23.373 ( 0.000 -3.253 0.627) 3.313 23.484 ( 0.000 -1.146 -0.430) 1.224 23.484 ( 0.000 -1.146 0.430) 1.224 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 3.651 2.021 -1.423) 4.409 2.696 ( 3.651 2.021 1.423) 4.409 3.009 ( 3.875 4.970 -1.653) 6.515 3.009 ( 3.875 4.970 1.653) 6.515 3.048 ( -6.220 -0.079 -2.128) 6.575 3.048 ( -6.220 -0.079 2.128) 6.575 3.303 ( 4.331 -2.001 -2.006) 5.176 3.303 ( 4.331 -2.001 2.006) 5.176 3.454 ( -4.023 7.572 -0.377) 8.582 3.454 ( -4.023 7.572 0.377) 8.582 3.603 ( -2.874 -1.594 -1.181) 3.492 3.603 ( -2.874 -1.594 1.181) 3.492 3.775 ( 3.218 1.101 -0.627) 3.458 3.775 ( 3.218 1.101 0.627) 3.458 4.026 ( -1.684 -4.104 -2.589) 5.136 4.026 ( -1.684 -4.104 2.589) 5.136 4.525 ( -0.579 2.933 -1.918) 3.552 4.525 ( -0.579 2.933 1.918) 3.552 4.674 ( -0.437 1.187 -4.160) 4.348 4.674 ( -0.437 1.187 4.160) 4.348 5.226 ( 5.757 1.697 -1.475) 6.180 5.226 ( 5.757 1.697 1.475) 6.180 5.338 ( 0.233 3.160 -1.370) 3.452 5.338 ( 0.233 3.160 1.370) 3.452 5.752 ( -2.236 3.058 -1.906) 4.240 5.752 ( -2.236 3.058 1.906) 4.240 5.836 ( -4.430 1.927 -0.476) 4.854 5.836 ( -4.430 1.927 0.476) 4.854 7.145 ( 1.152 5.478 -1.471) 5.788 7.145 ( 1.152 5.478 1.471) 5.788 7.342 ( 7.370 6.205 -1.807) 9.802 7.342 ( 7.370 6.205 1.807) 9.802 7.430 ( -4.291 -0.806 -4.818) 6.502 7.430 ( -4.291 -0.806 4.818) 6.502 7.776 ( -0.005 0.205 -2.422) 2.431 7.776 ( -0.005 0.205 2.422) 2.431 8.155 ( 1.063 4.791 -10.629) 11.707 8.155 ( 1.063 4.791 10.629) 11.707 8.352 ( -2.491 -1.008 -6.564) 7.093 8.352 ( -2.491 -1.008 6.564) 7.093 9.015 ( 1.885 3.498 -7.357) 8.361 9.015 ( 1.885 3.498 7.357) 8.361 9.065 ( 2.633 -2.335 -4.175) 5.460 9.065 ( 2.633 -2.335 4.175) 5.460 9.214 ( 0.196 -6.799 -2.768) 7.344 9.214 ( 0.196 -6.799 2.768) 7.344 9.289 ( -2.692 -0.761 -5.476) 6.149 9.289 ( -2.692 -0.761 5.476) 6.149 9.703 ( 2.227 3.174 -3.288) 5.084 9.703 ( 2.227 3.174 3.288) 5.084 9.731 ( 2.590 0.873 -3.536) 4.470 9.731 ( 2.590 0.873 3.536) 4.470 10.328 ( -6.785 6.143 -4.762) 10.317 10.328 ( -6.785 6.143 4.762) 10.317 10.407 ( -3.570 -2.894 -5.562) 7.215 10.407 ( -3.570 -2.894 5.562) 7.215 10.749 ( 2.582 -0.758 -6.630) 7.155 10.749 ( 2.582 -0.758 6.630) 7.155 11.001 ( -2.408 -1.185 -8.988) 9.380 11.001 ( -2.408 -1.185 8.988) 9.380 11.254 ( 7.338 1.061 -1.127) 7.500 11.254 ( 7.338 1.061 1.127) 7.500 11.873 ( -7.583 5.301 -1.539) 9.379 11.873 ( -7.583 5.301 1.539) 9.379 12.232 ( 4.807 2.651 -1.317) 5.645 12.232 ( 4.807 2.651 1.317) 5.645 12.467 ( -2.076 0.934 -1.469) 2.709 12.467 ( -2.076 0.934 1.469) 2.709 13.103 ( -0.205 0.016 -1.632) 1.645 13.103 ( -0.205 0.016 1.632) 1.645 13.153 ( -0.433 -1.302 -2.410) 2.773 13.153 ( -0.433 -1.302 2.410) 2.773 14.359 ( 2.732 -1.889 -5.294) 6.249 14.359 ( 2.732 -1.889 5.293) 6.249 14.592 ( -3.083 -4.471 -1.197) 5.562 14.592 ( -3.083 -4.471 1.197) 5.562 14.852 ( 3.246 1.867 -6.175) 7.222 14.852 ( 3.246 1.867 6.176) 7.222 15.026 ( -1.479 1.960 -0.529) 2.512 15.026 ( -1.479 1.960 0.529) 2.511 16.816 ( -0.095 2.778 -1.607) 3.210 16.816 ( -0.095 2.778 1.607) 3.210 16.863 ( -0.846 2.180 -4.923) 5.450 16.863 ( -0.846 2.180 4.923) 5.450 18.151 ( 1.484 1.686 -5.877) 6.292 18.151 ( 1.484 1.686 5.877) 6.292 18.334 ( -1.765 -5.158 -7.305) 9.115 18.334 ( -1.765 -5.158 7.305) 9.115 21.158 ( 2.709 0.488 -0.744) 2.851 21.158 ( 2.709 0.488 0.744) 2.851 21.407 ( -3.007 -2.063 -1.066) 3.799 21.407 ( -3.007 -2.062 1.066) 3.799 23.386 ( 1.289 -2.456 -0.787) 2.883 23.386 ( 1.289 -2.456 0.787) 2.883 23.483 ( -0.181 -2.125 -0.640) 2.227 23.483 ( -0.181 -2.125 0.640) 2.227 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 5.615 2.934 -1.760) 6.576 2.788 ( 5.615 2.934 1.760) 6.576 2.919 ( -6.504 1.096 -1.764) 6.827 2.919 ( -6.504 1.096 1.764) 6.827 3.117 ( 6.085 7.959 -1.993) 10.215 3.117 ( 6.085 7.959 1.993) 10.215 3.296 ( -5.211 2.492 -1.889) 6.078 3.296 ( -5.211 2.492 1.889) 6.078 3.443 ( 3.864 -0.379 -1.565) 4.186 3.443 ( 3.864 -0.379 1.565) 4.186 3.532 ( -4.327 -2.830 -1.810) 5.478 3.532 ( -4.327 -2.830 1.810) 5.478 3.850 ( 4.352 0.884 -0.461) 4.465 3.850 ( 4.352 0.884 0.461) 4.465 3.962 ( -4.495 -3.310 -1.035) 5.677 3.962 ( -4.495 -3.310 1.035) 5.677 4.558 ( 3.873 1.857 -0.232) 4.302 4.558 ( 3.873 1.857 0.232) 4.302 4.638 ( -3.543 1.113 -2.410) 4.427 4.638 ( -3.543 1.113 2.410) 4.427 5.328 ( 3.708 2.930 -2.384) 5.293 5.328 ( 3.708 2.930 2.384) 5.293 5.353 ( 0.917 3.387 -1.487) 3.811 5.353 ( 0.917 3.387 1.487) 3.811 5.713 ( -0.922 2.359 -1.484) 2.935 5.713 ( -0.922 2.359 1.484) 2.935 5.746 ( -4.135 1.716 -1.026) 4.593 5.746 ( -4.135 1.716 1.026) 4.593 7.186 ( 2.719 4.897 -1.155) 5.719 7.186 ( 2.719 4.897 1.155) 5.719 7.311 ( -4.523 0.089 -2.150) 5.008 7.311 ( -4.523 0.089 2.150) 5.008 7.529 ( 7.588 7.850 -1.660) 11.043 7.529 ( 7.588 7.850 1.660) 11.043 7.745 ( -2.921 -1.957 -0.962) 3.645 7.745 ( -2.921 -1.957 0.962) 3.645 8.191 ( 2.722 3.594 -9.268) 10.306 8.191 ( 2.722 3.594 9.268) 10.306 8.280 ( -4.394 -0.049 -7.793) 8.946 8.280 ( -4.394 -0.049 7.793) 8.946 9.056 ( 2.294 1.459 -6.575) 7.115 9.056 ( 2.294 1.459 6.575) 7.115 9.115 ( 0.614 0.717 -5.730) 5.808 9.115 ( 0.614 0.717 5.730) 5.808 9.208 ( 0.554 -3.978 -1.661) 4.346 9.208 ( 0.554 -3.978 1.661) 4.347 9.251 ( -1.573 -5.446 -4.747) 7.394 9.251 ( -1.573 -5.446 4.747) 7.394 9.753 ( 2.563 2.837 -2.259) 4.441 9.753 ( 2.563 2.837 2.259) 4.441 9.782 ( 1.710 2.394 -2.797) 4.059 9.782 ( 1.710 2.394 2.797) 4.059 10.202 ( -4.903 7.500 -2.432) 9.285 10.202 ( -4.903 7.500 2.432) 9.285 10.335 ( -2.723 -5.195 -2.387) 6.333 10.335 ( -2.723 -5.195 2.387) 6.333 10.815 ( 3.991 -0.512 -6.150) 7.349 10.815 ( 3.991 -0.512 6.150) 7.349 10.927 ( -4.437 -3.791 -6.851) 9.000 10.927 ( -4.437 -3.791 6.851) 9.000 11.439 ( 10.590 7.071 -1.570) 12.830 11.439 ( 10.590 7.071 1.570) 12.830 11.697 ( -10.014 3.291 -1.827) 10.698 11.697 ( -10.014 3.291 1.827) 10.698 12.327 ( 4.782 2.056 -1.317) 5.370 12.327 ( 4.782 2.056 1.317) 5.370 12.411 ( -3.634 1.384 -1.416) 4.138 12.411 ( -3.634 1.384 1.416) 4.138 13.103 ( 0.125 0.910 -0.938) 1.313 13.103 ( 0.125 0.910 0.938) 1.313 13.143 ( -0.453 -2.061 -1.350) 2.505 13.143 ( -0.453 -2.061 1.350) 2.505 14.425 ( 3.578 -2.314 -2.970) 5.194 14.425 ( 3.578 -2.314 2.970) 5.194 14.525 ( -3.588 -5.830 -1.339) 6.975 14.525 ( -3.588 -5.830 1.339) 6.975 14.921 ( 3.651 2.598 -4.116) 6.084 14.921 ( 3.651 2.597 4.117) 6.085 14.985 ( -2.797 2.236 -2.045) 4.124 14.985 ( -2.797 2.236 2.045) 4.124 16.815 ( -0.021 3.504 -0.988) 3.641 16.815 ( -0.022 3.504 0.988) 3.641 16.847 ( -0.552 1.294 -2.211) 2.621 16.847 ( -0.552 1.294 2.212) 2.621 18.184 ( 1.505 2.881 -3.861) 5.047 18.184 ( 1.505 2.881 3.861) 5.047 18.297 ( -1.681 -5.664 -4.406) 7.370 18.297 ( -1.681 -5.664 4.406) 7.370 21.225 ( 3.865 0.872 -0.818) 4.046 21.225 ( 3.865 0.872 0.818) 4.046 21.334 ( -4.045 -2.474 -0.928) 4.832 21.334 ( -4.045 -2.474 0.928) 4.832 23.411 ( 0.974 -0.210 -0.565) 1.145 23.411 ( 0.974 -0.210 0.565) 1.145 23.477 ( -0.297 -4.661 -0.508) 4.698 23.477 ( -0.297 -4.661 0.508) 4.698 =================== 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 3/24960 10.0 1324.458 546.233 492.938 0.000 0.000 0.000 3/24960 20.0 370.250 447.792 284.330 0.000 0.000 0.000 3/24960 30.0 152.322 232.240 139.038 0.000 0.000 0.000 3/24960 40.0 82.962 140.167 80.064 0.000 0.000 0.000 3/24960 50.0 53.223 95.405 52.425 0.000 0.000 0.000 3/24960 60.0 37.721 70.346 37.433 0.000 0.000 0.000 3/24960 70.0 28.510 54.692 28.363 0.000 0.000 0.000 3/24960 80.0 22.544 44.161 22.439 0.000 0.000 0.000 3/24960 90.0 18.441 36.702 18.352 0.000 0.000 0.000 3/24960 100.0 15.492 31.214 15.412 0.000 0.000 0.000 3/24960 110.0 13.296 27.051 13.224 0.000 0.000 0.000 3/24960 120.0 11.612 23.811 11.550 0.000 0.000 0.000 3/24960 130.0 10.290 21.236 10.238 0.000 0.000 0.000 3/24960 140.0 9.229 19.149 9.189 0.000 0.000 0.000 3/24960 150.0 8.363 17.430 8.334 0.000 0.000 0.000 3/24960 160.0 7.644 15.994 7.626 0.000 0.000 0.000 3/24960 170.0 7.039 14.778 7.031 0.000 0.000 0.000 3/24960 180.0 6.524 13.736 6.526 0.000 0.000 0.000 3/24960 190.0 6.081 12.836 6.091 0.000 0.000 0.000 3/24960 200.0 5.696 12.050 5.714 0.000 0.000 0.000 3/24960 210.0 5.357 11.358 5.383 0.000 0.000 0.000 3/24960 220.0 5.059 10.744 5.090 0.000 0.000 0.000 3/24960 230.0 4.793 10.197 4.830 0.000 0.000 0.000 3/24960 240.0 4.554 9.705 4.596 0.000 0.000 0.000 3/24960 250.0 4.340 9.260 4.386 0.000 0.000 0.000 3/24960 260.0 4.145 8.857 4.195 0.000 0.000 0.000 3/24960 270.0 3.968 8.489 4.021 0.000 0.000 0.000 3/24960 280.0 3.807 8.152 3.862 0.000 0.000 0.000 3/24960 290.0 3.658 7.842 3.715 0.000 0.000 0.000 3/24960 300.0 3.521 7.556 3.580 0.000 0.000 0.000 3/24960 310.0 3.395 7.292 3.455 0.000 0.000 0.000 3/24960 320.0 3.277 7.046 3.339 0.000 0.000 0.000 3/24960 330.0 3.168 6.817 3.231 0.000 0.000 0.000 3/24960 340.0 3.067 6.603 3.129 0.000 0.000 0.000 3/24960 350.0 2.971 6.402 3.035 0.000 0.000 0.000 3/24960 360.0 2.882 6.214 2.946 0.000 0.000 0.000 3/24960 370.0 2.798 6.037 2.862 0.000 0.000 0.000 3/24960 380.0 2.720 5.871 2.783 0.000 0.000 0.000 3/24960 390.0 2.645 5.713 2.709 0.000 0.000 0.000 3/24960 400.0 2.575 5.565 2.639 0.000 0.000 0.000 3/24960 410.0 2.508 5.424 2.572 0.000 0.000 0.000 3/24960 420.0 2.445 5.290 2.508 0.000 0.000 0.000 3/24960 430.0 2.385 5.163 2.448 0.000 0.000 0.000 3/24960 440.0 2.329 5.042 2.391 0.000 0.000 0.000 3/24960 450.0 2.274 4.927 2.336 0.000 0.000 0.000 3/24960 460.0 2.223 4.817 2.284 0.000 0.000 0.000 3/24960 470.0 2.173 4.712 2.235 0.000 0.000 0.000 3/24960 480.0 2.126 4.611 2.187 0.000 0.000 0.000 3/24960 490.0 2.081 4.515 2.141 0.000 0.000 0.000 3/24960 500.0 2.038 4.423 2.098 0.000 0.000 0.000 3/24960 510.0 1.997 4.335 2.056 0.000 0.000 0.000 3/24960 520.0 1.957 4.250 2.016 0.000 0.000 0.000 3/24960 530.0 1.919 4.168 1.977 0.000 0.000 0.000 3/24960 540.0 1.883 4.090 1.940 0.000 0.000 0.000 3/24960 550.0 1.847 4.015 1.904 0.000 0.000 0.000 3/24960 560.0 1.814 3.942 1.869 0.000 0.000 0.000 3/24960 570.0 1.781 3.872 1.836 0.000 0.000 0.000 3/24960 580.0 1.749 3.804 1.804 0.000 0.000 0.000 3/24960 590.0 1.719 3.739 1.773 0.000 0.000 0.000 3/24960 600.0 1.690 3.676 1.743 0.000 0.000 0.000 3/24960 610.0 1.662 3.615 1.715 0.000 0.000 0.000 3/24960 620.0 1.634 3.557 1.687 0.000 0.000 0.000 3/24960 630.0 1.608 3.500 1.660 0.000 0.000 0.000 3/24960 640.0 1.582 3.445 1.633 0.000 0.000 0.000 3/24960 650.0 1.557 3.391 1.608 0.000 0.000 0.000 3/24960 660.0 1.533 3.339 1.584 0.000 0.000 0.000 3/24960 670.0 1.510 3.289 1.560 0.000 0.000 0.000 3/24960 680.0 1.487 3.241 1.537 0.000 0.000 0.000 3/24960 690.0 1.466 3.193 1.514 0.000 0.000 0.000 3/24960 700.0 1.444 3.148 1.492 0.000 0.000 0.000 3/24960 710.0 1.424 3.103 1.471 0.000 0.000 0.000 3/24960 720.0 1.404 3.060 1.451 0.000 0.000 0.000 3/24960 730.0 1.384 3.018 1.431 0.000 0.000 0.000 3/24960 740.0 1.365 2.977 1.411 0.000 0.000 0.000 3/24960 750.0 1.347 2.937 1.392 0.000 0.000 0.000 3/24960 760.0 1.329 2.898 1.374 0.000 0.000 0.000 3/24960 770.0 1.311 2.860 1.356 0.000 0.000 0.000 3/24960 780.0 1.294 2.824 1.339 0.000 0.000 0.000 3/24960 790.0 1.278 2.788 1.322 0.000 0.000 0.000 3/24960 800.0 1.262 2.753 1.305 0.000 0.000 0.000 3/24960 810.0 1.246 2.719 1.289 0.000 0.000 0.000 3/24960 820.0 1.231 2.686 1.273 0.000 0.000 0.000 3/24960 830.0 1.216 2.653 1.258 0.000 0.000 0.000 3/24960 840.0 1.201 2.622 1.243 0.000 0.000 0.000 3/24960 850.0 1.187 2.591 1.228 0.000 0.000 0.000 3/24960 860.0 1.173 2.561 1.214 0.000 0.000 0.000 3/24960 870.0 1.159 2.531 1.200 0.000 0.000 0.000 3/24960 880.0 1.146 2.502 1.186 0.000 0.000 0.000 3/24960 890.0 1.133 2.474 1.173 0.000 0.000 0.000 3/24960 900.0 1.120 2.447 1.160 0.000 0.000 0.000 3/24960 910.0 1.108 2.420 1.147 0.000 0.000 0.000 3/24960 920.0 1.096 2.393 1.134 0.000 0.000 0.000 3/24960 930.0 1.084 2.368 1.122 0.000 0.000 0.000 3/24960 940.0 1.072 2.342 1.110 0.000 0.000 0.000 3/24960 950.0 1.061 2.318 1.099 0.000 0.000 0.000 3/24960 960.0 1.050 2.294 1.087 0.000 0.000 0.000 3/24960 970.0 1.039 2.270 1.076 0.000 0.000 0.000 3/24960 980.0 1.028 2.247 1.065 0.000 0.000 0.000 3/24960 990.0 1.018 2.224 1.054 0.000 0.000 0.000 3/24960 1000.0 1.008 2.202 1.044 0.000 0.000 0.000 3/24960 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:20:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|