----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:14:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.133854340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): *1 Rh 0.49926894445135 0.18001418822967 0.07548436996829 102.906 2 Rh 0.00073105554865 0.81998581177033 0.57548436996829 102.906 *3 Rh 0.50076897588044 0.75077476930356 0.67871910262278 102.906 4 Rh 0.49923102411956 0.25077476930356 0.82128089737722 102.906 5 Rh 0.99923102411956 0.24922523069644 0.17871910262278 102.906 6 Rh 0.00076897588043 0.74922523069644 0.32128089737722 102.906 7 Rh 0.50076897588044 0.74922523069644 0.17871910262278 102.906 8 Rh 0.49923102411956 0.24922523069644 0.32128089737722 102.906 9 Rh 0.99926894445134 0.31998581177033 0.92451563003171 102.906 10 Rh 0.49926894445135 0.31998581177033 0.57548436996829 102.906 11 Rh 0.99926894445134 0.18001418822967 0.42451563003171 102.906 12 Rh 0.50073105554866 0.68001418822967 0.42451563003171 102.906 13 Rh 0.99923102411956 0.25077476930356 0.67871910262278 102.906 14 Rh 0.00076897588043 0.75077476930356 0.82128089737722 102.906 15 Rh 0.00073105554865 0.68001418822967 0.07548436996829 102.906 16 Rh 0.50073105554866 0.81998581177033 0.92451563003171 102.906 *17 O 0.79987054307814 0.96605851389377 0.12446903706372 15.999 *18 O 0.15089506291059 0.34090145212062 0.05219305581730 15.999 *19 O 0.64207632114756 0.61049181809343 0.29717269615670 15.999 20 O 0.29987054307814 0.96605851389377 0.37553096293628 15.999 21 O 0.35792367885244 0.38950818190657 0.70282730384330 15.999 22 O 0.29987054307814 0.53394148610623 0.87553096293628 15.999 23 O 0.15089506291059 0.15909854787938 0.55219305581730 15.999 24 O 0.34910493708941 0.65909854787938 0.55219305581730 15.999 25 O 0.14207632114756 0.61049181809343 0.20282730384330 15.999 26 O 0.65089506291059 0.34090145212062 0.44780694418270 15.999 27 O 0.70012945692186 0.03394148610623 0.62446903706372 15.999 28 O 0.20012945692186 0.03394148610623 0.87553096293628 15.999 29 O 0.14207632114756 0.88950818190657 0.70282730384330 15.999 30 O 0.84910493708941 0.65909854787938 0.94780694418270 15.999 31 O 0.65089506291059 0.15909854787938 0.94780694418270 15.999 32 O 0.34910493708941 0.84090145212062 0.05219305581730 15.999 33 O 0.84910493708941 0.84090145212062 0.44780694418270 15.999 34 O 0.35792367885244 0.11049181809343 0.20282730384330 15.999 35 O 0.64207632114756 0.88950818190657 0.79717269615670 15.999 36 O 0.79987054307814 0.53394148610623 0.62446903706372 15.999 37 O 0.70012945692186 0.46605851389377 0.12446903706372 15.999 38 O 0.20012945692186 0.46605851389377 0.37553096293628 15.999 39 O 0.85792367885244 0.38950818190657 0.79717269615670 15.999 40 O 0.85792367885244 0.11049181809343 0.29717269615670 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.133854340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): *1 Rh 0.49926894445135 0.18001418822967 0.07548436996829 102.906 > 1 2 Rh 0.00073105554865 0.81998581177033 0.57548436996829 102.906 > 2 *3 Rh 0.50076897588044 0.75077476930356 0.67871910262278 102.906 > 3 4 Rh 0.49923102411956 0.25077476930356 0.82128089737722 102.906 > 4 5 Rh 0.99923102411956 0.24922523069644 0.17871910262278 102.906 > 5 6 Rh 0.00076897588043 0.74922523069644 0.32128089737722 102.906 > 6 7 Rh 0.50076897588044 0.74922523069644 0.17871910262278 102.906 > 7 8 Rh 0.49923102411956 0.24922523069644 0.32128089737722 102.906 > 8 9 Rh 0.99926894445134 0.31998581177033 0.92451563003171 102.906 > 9 10 Rh 0.49926894445135 0.31998581177033 0.57548436996829 102.906 > 10 11 Rh 0.99926894445134 0.18001418822967 0.42451563003171 102.906 > 11 12 Rh 0.50073105554866 0.68001418822967 0.42451563003171 102.906 > 12 13 Rh 0.99923102411956 0.25077476930356 0.67871910262278 102.906 > 13 14 Rh 0.00076897588043 0.75077476930356 0.82128089737722 102.906 > 14 15 Rh 0.00073105554865 0.68001418822967 0.07548436996829 102.906 > 15 16 Rh 0.50073105554866 0.81998581177033 0.92451563003171 102.906 > 16 *17 O 0.79987054307814 0.96605851389377 0.12446903706372 15.999 > 17 *18 O 0.15089506291059 0.34090145212062 0.05219305581730 15.999 > 18 *19 O 0.64207632114756 0.61049181809343 0.29717269615670 15.999 > 19 20 O 0.29987054307814 0.96605851389377 0.37553096293628 15.999 > 20 21 O 0.35792367885244 0.38950818190657 0.70282730384330 15.999 > 21 22 O 0.29987054307814 0.53394148610623 0.87553096293628 15.999 > 22 23 O 0.15089506291059 0.15909854787938 0.55219305581730 15.999 > 23 24 O 0.34910493708941 0.65909854787938 0.55219305581730 15.999 > 24 25 O 0.14207632114756 0.61049181809343 0.20282730384330 15.999 > 25 26 O 0.65089506291059 0.34090145212062 0.44780694418270 15.999 > 26 27 O 0.70012945692186 0.03394148610623 0.62446903706372 15.999 > 27 28 O 0.20012945692186 0.03394148610623 0.87553096293628 15.999 > 28 29 O 0.14207632114756 0.88950818190657 0.70282730384330 15.999 > 29 30 O 0.84910493708941 0.65909854787938 0.94780694418270 15.999 > 30 31 O 0.65089506291059 0.15909854787938 0.94780694418270 15.999 > 31 32 O 0.34910493708941 0.84090145212062 0.05219305581730 15.999 > 32 33 O 0.84910493708941 0.84090145212062 0.44780694418270 15.999 > 33 34 O 0.35792367885244 0.11049181809343 0.20282730384330 15.999 > 34 35 O 0.64207632114756 0.88950818190657 0.79717269615670 15.999 > 35 36 O 0.79987054307814 0.53394148610623 0.62446903706372 15.999 > 36 37 O 0.70012945692186 0.46605851389377 0.12446903706372 15.999 > 37 38 O 0.20012945692186 0.46605851389377 0.37553096293628 15.999 > 38 39 O 0.85792367885244 0.38950818190657 0.79717269615670 15.999 > 39 40 O 0.85792367885244 0.11049181809343 0.29717269615670 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.267708680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): *1 Rh 0.24963447222567 0.18001418822967 0.07548436996829 102.906 > 1 2 Rh 0.74963447222567 0.18001418822967 0.07548436996829 102.906 > 1 3 Rh 0.00036552777433 0.81998581177033 0.57548436996829 102.906 > 2 4 Rh 0.50036552777433 0.81998581177033 0.57548436996829 102.906 > 2 *5 Rh 0.25038448794022 0.75077476930356 0.67871910262278 102.906 > 3 6 Rh 0.75038448794022 0.75077476930356 0.67871910262278 102.906 > 3 7 Rh 0.24961551205978 0.25077476930356 0.82128089737722 102.906 > 4 8 Rh 0.74961551205978 0.25077476930356 0.82128089737722 102.906 > 4 9 Rh 0.49961551205978 0.24922523069644 0.17871910262278 102.906 > 5 10 Rh 0.99961551205978 0.24922523069644 0.17871910262278 102.906 > 5 11 Rh 0.00038448794022 0.74922523069644 0.32128089737722 102.906 > 6 12 Rh 0.50038448794022 0.74922523069644 0.32128089737722 102.906 > 6 13 Rh 0.25038448794022 0.74922523069644 0.17871910262278 102.906 > 7 14 Rh 0.75038448794022 0.74922523069644 0.17871910262278 102.906 > 7 15 Rh 0.24961551205978 0.24922523069644 0.32128089737722 102.906 > 8 16 Rh 0.74961551205978 0.24922523069644 0.32128089737722 102.906 > 8 17 Rh 0.49963447222567 0.31998581177033 0.92451563003171 102.906 > 9 18 Rh 0.99963447222567 0.31998581177033 0.92451563003171 102.906 > 9 19 Rh 0.24963447222567 0.31998581177033 0.57548436996829 102.906 > 10 20 Rh 0.74963447222567 0.31998581177033 0.57548436996829 102.906 > 10 21 Rh 0.49963447222567 0.18001418822967 0.42451563003171 102.906 > 11 22 Rh 0.99963447222567 0.18001418822967 0.42451563003171 102.906 > 11 23 Rh 0.25036552777433 0.68001418822967 0.42451563003171 102.906 > 12 24 Rh 0.75036552777433 0.68001418822967 0.42451563003171 102.906 > 12 25 Rh 0.49961551205978 0.25077476930356 0.67871910262278 102.906 > 13 26 Rh 0.99961551205978 0.25077476930356 0.67871910262278 102.906 > 13 27 Rh 0.00038448794022 0.75077476930356 0.82128089737722 102.906 > 14 28 Rh 0.50038448794022 0.75077476930356 0.82128089737722 102.906 > 14 29 Rh 0.00036552777433 0.68001418822967 0.07548436996829 102.906 > 15 30 Rh 0.50036552777433 0.68001418822967 0.07548436996829 102.906 > 15 31 Rh 0.25036552777433 0.81998581177033 0.92451563003171 102.906 > 16 32 Rh 0.75036552777433 0.81998581177033 0.92451563003171 102.906 > 16 *33 O 0.39993527153907 0.96605851389377 0.12446903706372 15.999 > 17 34 O 0.89993527153907 0.96605851389377 0.12446903706372 15.999 > 17 *35 O 0.07544753145530 0.34090145212062 0.05219305581730 15.999 > 18 36 O 0.57544753145530 0.34090145212062 0.05219305581730 15.999 > 18 *37 O 0.32103816057378 0.61049181809343 0.29717269615670 15.999 > 19 38 O 0.82103816057378 0.61049181809343 0.29717269615670 15.999 > 19 39 O 0.14993527153907 0.96605851389377 0.37553096293628 15.999 > 20 40 O 0.64993527153907 0.96605851389377 0.37553096293628 15.999 > 20 41 O 0.17896183942622 0.38950818190657 0.70282730384330 15.999 > 21 42 O 0.67896183942622 0.38950818190657 0.70282730384330 15.999 > 21 43 O 0.14993527153907 0.53394148610623 0.87553096293628 15.999 > 22 44 O 0.64993527153907 0.53394148610623 0.87553096293628 15.999 > 22 45 O 0.07544753145530 0.15909854787938 0.55219305581730 15.999 > 23 46 O 0.57544753145530 0.15909854787938 0.55219305581730 15.999 > 23 47 O 0.17455246854470 0.65909854787938 0.55219305581730 15.999 > 24 48 O 0.67455246854470 0.65909854787938 0.55219305581730 15.999 > 24 49 O 0.07103816057378 0.61049181809343 0.20282730384330 15.999 > 25 50 O 0.57103816057378 0.61049181809343 0.20282730384330 15.999 > 25 51 O 0.32544753145530 0.34090145212062 0.44780694418270 15.999 > 26 52 O 0.82544753145530 0.34090145212062 0.44780694418270 15.999 > 26 53 O 0.35006472846093 0.03394148610623 0.62446903706372 15.999 > 27 54 O 0.85006472846093 0.03394148610623 0.62446903706372 15.999 > 27 55 O 0.10006472846093 0.03394148610623 0.87553096293628 15.999 > 28 56 O 0.60006472846093 0.03394148610623 0.87553096293628 15.999 > 28 57 O 0.07103816057378 0.88950818190657 0.70282730384330 15.999 > 29 58 O 0.57103816057378 0.88950818190657 0.70282730384330 15.999 > 29 59 O 0.42455246854470 0.65909854787938 0.94780694418270 15.999 > 30 60 O 0.92455246854470 0.65909854787938 0.94780694418270 15.999 > 30 61 O 0.32544753145530 0.15909854787938 0.94780694418270 15.999 > 31 62 O 0.82544753145530 0.15909854787938 0.94780694418270 15.999 > 31 63 O 0.17455246854470 0.84090145212062 0.05219305581730 15.999 > 32 64 O 0.67455246854470 0.84090145212062 0.05219305581730 15.999 > 32 65 O 0.42455246854470 0.84090145212062 0.44780694418270 15.999 > 33 66 O 0.92455246854470 0.84090145212062 0.44780694418270 15.999 > 33 67 O 0.17896183942622 0.11049181809343 0.20282730384330 15.999 > 34 68 O 0.67896183942622 0.11049181809343 0.20282730384330 15.999 > 34 69 O 0.32103816057378 0.88950818190657 0.79717269615670 15.999 > 35 70 O 0.82103816057378 0.88950818190657 0.79717269615670 15.999 > 35 71 O 0.39993527153907 0.53394148610623 0.62446903706372 15.999 > 36 72 O 0.89993527153907 0.53394148610623 0.62446903706372 15.999 > 36 73 O 0.35006472846093 0.46605851389377 0.12446903706372 15.999 > 37 74 O 0.85006472846093 0.46605851389377 0.12446903706372 15.999 > 37 75 O 0.10006472846093 0.46605851389377 0.37553096293628 15.999 > 38 76 O 0.60006472846093 0.46605851389377 0.37553096293628 15.999 > 38 77 O 0.42896183942622 0.38950818190657 0.79717269615670 15.999 > 39 78 O 0.92896183942622 0.38950818190657 0.79717269615670 15.999 > 39 79 O 0.42896183942622 0.11049181809343 0.29717269615670 15.999 > 40 80 O 0.92896183942622 0.11049181809343 0.29717269615670 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.9162093 0.0000000 0.0000000 0.0000000 21.4016261 0.0000000 0.0000000 0.0000000 17.5170534 -------------------------- Born effective charges -------------------------- 1 Rh 1.2906541 0.3360202 0.5103078 -0.6671661 1.1401787 0.0740047 -0.7863374 -0.1907998 1.3169256 2 Rh 1.2906541 0.3360202 -0.5103078 -0.6671661 1.1401787 -0.0740047 0.7863374 0.1907998 1.3169256 3 Rh 1.0596641 0.9145915 -0.9164778 0.2140742 1.3931652 1.0470468 0.4855529 1.0781882 1.0098560 4 Rh 1.0596641 -0.9145915 -0.9164778 -0.2140742 1.3931652 -1.0470468 0.4855529 -1.0781882 1.0098560 5 Rh 1.0596641 0.9145915 0.9164778 0.2140742 1.3931652 -1.0470468 -0.4855529 -1.0781882 1.0098560 6 Rh 1.0596641 -0.9145915 0.9164778 -0.2140742 1.3931652 1.0470468 -0.4855529 1.0781882 1.0098560 7 Rh 1.0596641 -0.9145915 -0.9164778 -0.2140742 1.3931652 -1.0470468 0.4855529 -1.0781882 1.0098560 8 Rh 1.0596641 0.9145915 -0.9164778 0.2140742 1.3931652 1.0470468 0.4855529 1.0781882 1.0098560 9 Rh 1.2906541 -0.3360202 -0.5103078 0.6671661 1.1401787 0.0740047 0.7863374 -0.1907998 1.3169256 10 Rh 1.2906541 -0.3360202 0.5103078 0.6671661 1.1401787 -0.0740047 -0.7863374 0.1907998 1.3169256 11 Rh 1.2906541 0.3360202 -0.5103078 -0.6671661 1.1401787 -0.0740047 0.7863374 0.1907998 1.3169256 12 Rh 1.2906541 -0.3360202 0.5103078 0.6671661 1.1401787 -0.0740047 -0.7863374 0.1907998 1.3169256 13 Rh 1.0596641 -0.9145915 0.9164778 -0.2140742 1.3931652 1.0470468 -0.4855529 1.0781882 1.0098560 14 Rh 1.0596641 0.9145915 0.9164778 0.2140742 1.3931652 -1.0470468 -0.4855529 -1.0781882 1.0098560 15 Rh 1.2906541 -0.3360202 -0.5103078 0.6671661 1.1401787 0.0740047 0.7863374 -0.1907998 1.3169256 16 Rh 1.2906541 0.3360202 0.5103078 -0.6671661 1.1401787 0.0740047 -0.7863374 -0.1907998 1.3169256 17 O -1.4567572 -0.1748939 -0.1226621 -0.0106571 -1.3804433 0.0659445 -0.1007671 0.2665636 0.3266768 18 O -0.4578805 0.8607324 0.0821743 0.8594722 -0.7151628 0.0315044 0.2048963 0.1815063 -1.5847863 19 O -0.4356804 -0.5791711 0.4637301 -0.5343865 -0.4377378 0.2317954 0.2692720 0.1931808 -1.0686722 20 O -1.4567572 -0.1748939 0.1226621 -0.0106571 -1.3804433 -0.0659445 0.1007671 -0.2665636 0.3266768 21 O -0.4356804 -0.5791711 0.4637301 -0.5343865 -0.4377378 0.2317954 0.2692720 0.1931808 -1.0686722 22 O -1.4567572 0.1748939 0.1226621 0.0106571 -1.3804433 0.0659445 0.1007671 0.2665636 0.3266768 23 O -0.4578805 -0.8607324 0.0821743 -0.8594722 -0.7151628 -0.0315044 0.2048963 -0.1815063 -1.5847863 24 O -0.4578805 0.8607324 -0.0821743 0.8594722 -0.7151628 -0.0315044 -0.2048963 -0.1815063 -1.5847863 25 O -0.4356804 -0.5791711 -0.4637301 -0.5343865 -0.4377378 -0.2317954 -0.2692720 -0.1931808 -1.0686722 26 O -0.4578805 0.8607324 -0.0821743 0.8594722 -0.7151628 -0.0315044 -0.2048963 -0.1815063 -1.5847863 27 O -1.4567572 -0.1748939 0.1226621 -0.0106571 -1.3804433 -0.0659445 0.1007671 -0.2665636 0.3266768 28 O -1.4567572 -0.1748939 -0.1226621 -0.0106571 -1.3804433 0.0659445 -0.1007671 0.2665636 0.3266768 29 O -0.4356804 0.5791711 -0.4637301 0.5343865 -0.4377378 0.2317954 -0.2692720 0.1931808 -1.0686722 30 O -0.4578805 0.8607324 0.0821743 0.8594722 -0.7151628 0.0315044 0.2048963 0.1815063 -1.5847863 31 O -0.4578805 -0.8607324 -0.0821743 -0.8594722 -0.7151628 0.0315044 -0.2048963 0.1815063 -1.5847863 32 O -0.4578805 -0.8607324 -0.0821743 -0.8594722 -0.7151628 0.0315044 -0.2048963 0.1815063 -1.5847863 33 O -0.4578805 -0.8607324 0.0821743 -0.8594722 -0.7151628 -0.0315044 0.2048963 -0.1815063 -1.5847863 34 O -0.4356804 0.5791711 0.4637301 0.5343865 -0.4377378 -0.2317954 0.2692720 -0.1931808 -1.0686722 35 O -0.4356804 0.5791711 0.4637301 0.5343865 -0.4377378 -0.2317954 0.2692720 -0.1931808 -1.0686722 36 O -1.4567572 0.1748939 -0.1226621 0.0106571 -1.3804433 -0.0659445 -0.1007671 -0.2665636 0.3266768 37 O -1.4567572 0.1748939 0.1226621 0.0106571 -1.3804433 0.0659445 0.1007671 0.2665636 0.3266768 38 O -1.4567572 0.1748939 -0.1226621 0.0106571 -1.3804433 -0.0659445 -0.1007671 -0.2665636 0.3266768 39 O -0.4356804 -0.5791711 -0.4637301 -0.5343865 -0.4377378 -0.2317954 -0.2692720 -0.1931808 -1.0686722 40 O -0.4356804 0.5791711 -0.4637301 0.5343865 -0.4377378 0.2317954 -0.2692720 0.1931808 -1.0686722 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1845), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.217 Solver_block: 200 / 640 - Time: 2.190 Solver_block: 300 / 640 - Time: 2.192 Solver_block: 400 / 640 - Time: 2.197 Solver_block: 500 / 640 - Time: 2.191 Solver_block: 600 / 640 - Time: 2.195 Solver_block: 640 / 640 - Time: 0.959 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.189 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1845), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:15:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:15:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.133854340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): 1 Rh 0.49926894445135 0.18001418822967 0.07548436996829 102.906 2 Rh 0.00073105554865 0.81998581177033 0.57548436996829 102.906 3 Rh 0.50076897588044 0.75077476930356 0.67871910262278 102.906 4 Rh 0.49923102411956 0.25077476930356 0.82128089737722 102.906 5 Rh 0.99923102411956 0.24922523069644 0.17871910262278 102.906 6 Rh 0.00076897588043 0.74922523069644 0.32128089737722 102.906 7 Rh 0.50076897588044 0.74922523069644 0.17871910262278 102.906 8 Rh 0.49923102411956 0.24922523069644 0.32128089737722 102.906 9 Rh 0.99926894445134 0.31998581177033 0.92451563003171 102.906 10 Rh 0.49926894445135 0.31998581177033 0.57548436996829 102.906 11 Rh 0.99926894445134 0.18001418822967 0.42451563003171 102.906 12 Rh 0.50073105554866 0.68001418822967 0.42451563003171 102.906 13 Rh 0.99923102411956 0.25077476930356 0.67871910262278 102.906 14 Rh 0.00076897588043 0.75077476930356 0.82128089737722 102.906 15 Rh 0.00073105554865 0.68001418822967 0.07548436996829 102.906 16 Rh 0.50073105554866 0.81998581177033 0.92451563003171 102.906 17 O 0.79987054307814 0.96605851389377 0.12446903706372 15.999 18 O 0.15089506291059 0.34090145212062 0.05219305581730 15.999 19 O 0.64207632114756 0.61049181809343 0.29717269615670 15.999 20 O 0.29987054307814 0.96605851389377 0.37553096293628 15.999 21 O 0.35792367885244 0.38950818190657 0.70282730384330 15.999 22 O 0.29987054307814 0.53394148610623 0.87553096293628 15.999 23 O 0.15089506291059 0.15909854787938 0.55219305581730 15.999 24 O 0.34910493708941 0.65909854787938 0.55219305581730 15.999 25 O 0.14207632114756 0.61049181809343 0.20282730384330 15.999 26 O 0.65089506291059 0.34090145212062 0.44780694418270 15.999 27 O 0.70012945692186 0.03394148610623 0.62446903706372 15.999 28 O 0.20012945692186 0.03394148610623 0.87553096293628 15.999 29 O 0.14207632114756 0.88950818190657 0.70282730384330 15.999 30 O 0.84910493708941 0.65909854787938 0.94780694418270 15.999 31 O 0.65089506291059 0.15909854787938 0.94780694418270 15.999 32 O 0.34910493708941 0.84090145212062 0.05219305581730 15.999 33 O 0.84910493708941 0.84090145212062 0.44780694418270 15.999 34 O 0.35792367885244 0.11049181809343 0.20282730384330 15.999 35 O 0.64207632114756 0.88950818190657 0.79717269615670 15.999 36 O 0.79987054307814 0.53394148610623 0.62446903706372 15.999 37 O 0.70012945692186 0.46605851389377 0.12446903706372 15.999 38 O 0.20012945692186 0.46605851389377 0.37553096293628 15.999 39 O 0.85792367885244 0.38950818190657 0.79717269615670 15.999 40 O 0.85792367885244 0.11049181809343 0.29717269615670 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.267708680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): 1 Rh 0.24963447222567 0.18001418822967 0.07548436996829 102.906 > 1 2 Rh 0.74963447222567 0.18001418822967 0.07548436996829 102.906 > 1 3 Rh 0.00036552777433 0.81998581177033 0.57548436996829 102.906 > 3 4 Rh 0.50036552777433 0.81998581177033 0.57548436996829 102.906 > 3 5 Rh 0.25038448794022 0.75077476930356 0.67871910262278 102.906 > 5 6 Rh 0.75038448794022 0.75077476930356 0.67871910262278 102.906 > 5 7 Rh 0.24961551205978 0.25077476930356 0.82128089737722 102.906 > 7 8 Rh 0.74961551205978 0.25077476930356 0.82128089737722 102.906 > 7 9 Rh 0.49961551205978 0.24922523069644 0.17871910262278 102.906 > 9 10 Rh 0.99961551205978 0.24922523069644 0.17871910262278 102.906 > 9 11 Rh 0.00038448794022 0.74922523069644 0.32128089737722 102.906 > 11 12 Rh 0.50038448794022 0.74922523069644 0.32128089737722 102.906 > 11 13 Rh 0.25038448794022 0.74922523069644 0.17871910262278 102.906 > 13 14 Rh 0.75038448794022 0.74922523069644 0.17871910262278 102.906 > 13 15 Rh 0.24961551205978 0.24922523069644 0.32128089737722 102.906 > 15 16 Rh 0.74961551205978 0.24922523069644 0.32128089737722 102.906 > 15 17 Rh 0.49963447222567 0.31998581177033 0.92451563003171 102.906 > 17 18 Rh 0.99963447222567 0.31998581177033 0.92451563003171 102.906 > 17 19 Rh 0.24963447222567 0.31998581177033 0.57548436996829 102.906 > 19 20 Rh 0.74963447222567 0.31998581177033 0.57548436996829 102.906 > 19 21 Rh 0.49963447222567 0.18001418822967 0.42451563003171 102.906 > 21 22 Rh 0.99963447222567 0.18001418822967 0.42451563003171 102.906 > 21 23 Rh 0.25036552777433 0.68001418822967 0.42451563003171 102.906 > 23 24 Rh 0.75036552777433 0.68001418822967 0.42451563003171 102.906 > 23 25 Rh 0.49961551205978 0.25077476930356 0.67871910262278 102.906 > 25 26 Rh 0.99961551205978 0.25077476930356 0.67871910262278 102.906 > 25 27 Rh 0.00038448794022 0.75077476930356 0.82128089737722 102.906 > 27 28 Rh 0.50038448794022 0.75077476930356 0.82128089737722 102.906 > 27 29 Rh 0.00036552777433 0.68001418822967 0.07548436996829 102.906 > 29 30 Rh 0.50036552777433 0.68001418822967 0.07548436996829 102.906 > 29 31 Rh 0.25036552777433 0.81998581177033 0.92451563003171 102.906 > 31 32 Rh 0.75036552777433 0.81998581177033 0.92451563003171 102.906 > 31 33 O 0.39993527153907 0.96605851389377 0.12446903706372 15.999 > 33 34 O 0.89993527153907 0.96605851389377 0.12446903706372 15.999 > 33 35 O 0.07544753145530 0.34090145212062 0.05219305581730 15.999 > 35 36 O 0.57544753145530 0.34090145212062 0.05219305581730 15.999 > 35 37 O 0.32103816057378 0.61049181809343 0.29717269615670 15.999 > 37 38 O 0.82103816057378 0.61049181809343 0.29717269615670 15.999 > 37 39 O 0.14993527153907 0.96605851389377 0.37553096293628 15.999 > 39 40 O 0.64993527153907 0.96605851389377 0.37553096293628 15.999 > 39 41 O 0.17896183942622 0.38950818190657 0.70282730384330 15.999 > 41 42 O 0.67896183942622 0.38950818190657 0.70282730384330 15.999 > 41 43 O 0.14993527153907 0.53394148610623 0.87553096293628 15.999 > 43 44 O 0.64993527153907 0.53394148610623 0.87553096293628 15.999 > 43 45 O 0.07544753145530 0.15909854787938 0.55219305581730 15.999 > 45 46 O 0.57544753145530 0.15909854787938 0.55219305581730 15.999 > 45 47 O 0.17455246854470 0.65909854787938 0.55219305581730 15.999 > 47 48 O 0.67455246854470 0.65909854787938 0.55219305581730 15.999 > 47 49 O 0.07103816057378 0.61049181809343 0.20282730384330 15.999 > 49 50 O 0.57103816057378 0.61049181809343 0.20282730384330 15.999 > 49 51 O 0.32544753145530 0.34090145212062 0.44780694418270 15.999 > 51 52 O 0.82544753145530 0.34090145212062 0.44780694418270 15.999 > 51 53 O 0.35006472846093 0.03394148610623 0.62446903706372 15.999 > 53 54 O 0.85006472846093 0.03394148610623 0.62446903706372 15.999 > 53 55 O 0.10006472846093 0.03394148610623 0.87553096293628 15.999 > 55 56 O 0.60006472846093 0.03394148610623 0.87553096293628 15.999 > 55 57 O 0.07103816057378 0.88950818190657 0.70282730384330 15.999 > 57 58 O 0.57103816057378 0.88950818190657 0.70282730384330 15.999 > 57 59 O 0.42455246854470 0.65909854787938 0.94780694418270 15.999 > 59 60 O 0.92455246854470 0.65909854787938 0.94780694418270 15.999 > 59 61 O 0.32544753145530 0.15909854787938 0.94780694418270 15.999 > 61 62 O 0.82544753145530 0.15909854787938 0.94780694418270 15.999 > 61 63 O 0.17455246854470 0.84090145212062 0.05219305581730 15.999 > 63 64 O 0.67455246854470 0.84090145212062 0.05219305581730 15.999 > 63 65 O 0.42455246854470 0.84090145212062 0.44780694418270 15.999 > 65 66 O 0.92455246854470 0.84090145212062 0.44780694418270 15.999 > 65 67 O 0.17896183942622 0.11049181809343 0.20282730384330 15.999 > 67 68 O 0.67896183942622 0.11049181809343 0.20282730384330 15.999 > 67 69 O 0.32103816057378 0.88950818190657 0.79717269615670 15.999 > 69 70 O 0.82103816057378 0.88950818190657 0.79717269615670 15.999 > 69 71 O 0.39993527153907 0.53394148610623 0.62446903706372 15.999 > 71 72 O 0.89993527153907 0.53394148610623 0.62446903706372 15.999 > 71 73 O 0.35006472846093 0.46605851389377 0.12446903706372 15.999 > 73 74 O 0.85006472846093 0.46605851389377 0.12446903706372 15.999 > 73 75 O 0.10006472846093 0.46605851389377 0.37553096293628 15.999 > 75 76 O 0.60006472846093 0.46605851389377 0.37553096293628 15.999 > 75 77 O 0.42896183942622 0.38950818190657 0.79717269615670 15.999 > 77 78 O 0.92896183942622 0.38950818190657 0.79717269615670 15.999 > 77 79 O 0.42896183942622 0.11049181809343 0.29717269615670 15.999 > 79 80 O 0.92896183942622 0.11049181809343 0.29717269615670 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.9162093 0.0000000 0.0000000 0.0000000 21.4016261 0.0000000 0.0000000 0.0000000 17.5170534 -------------------------- Born effective charges -------------------------- 1 Rh 1.2906541 0.3360202 0.5103078 -0.6671661 1.1401787 0.0740047 -0.7863374 -0.1907998 1.3169256 2 Rh 1.2906541 0.3360202 -0.5103078 -0.6671661 1.1401787 -0.0740047 0.7863374 0.1907998 1.3169256 3 Rh 1.0596641 0.9145915 -0.9164778 0.2140742 1.3931652 1.0470468 0.4855529 1.0781882 1.0098560 4 Rh 1.0596641 -0.9145915 -0.9164778 -0.2140742 1.3931652 -1.0470468 0.4855529 -1.0781882 1.0098560 5 Rh 1.0596641 0.9145915 0.9164778 0.2140742 1.3931652 -1.0470468 -0.4855529 -1.0781882 1.0098560 6 Rh 1.0596641 -0.9145915 0.9164778 -0.2140742 1.3931652 1.0470468 -0.4855529 1.0781882 1.0098560 7 Rh 1.0596641 -0.9145915 -0.9164778 -0.2140742 1.3931652 -1.0470468 0.4855529 -1.0781882 1.0098560 8 Rh 1.0596641 0.9145915 -0.9164778 0.2140742 1.3931652 1.0470468 0.4855529 1.0781882 1.0098560 9 Rh 1.2906541 -0.3360202 -0.5103078 0.6671661 1.1401787 0.0740047 0.7863374 -0.1907998 1.3169256 10 Rh 1.2906541 -0.3360202 0.5103078 0.6671661 1.1401787 -0.0740047 -0.7863374 0.1907998 1.3169256 11 Rh 1.2906541 0.3360202 -0.5103078 -0.6671661 1.1401787 -0.0740047 0.7863374 0.1907998 1.3169256 12 Rh 1.2906541 -0.3360202 0.5103078 0.6671661 1.1401787 -0.0740047 -0.7863374 0.1907998 1.3169256 13 Rh 1.0596641 -0.9145915 0.9164778 -0.2140742 1.3931652 1.0470468 -0.4855529 1.0781882 1.0098560 14 Rh 1.0596641 0.9145915 0.9164778 0.2140742 1.3931652 -1.0470468 -0.4855529 -1.0781882 1.0098560 15 Rh 1.2906541 -0.3360202 -0.5103078 0.6671661 1.1401787 0.0740047 0.7863374 -0.1907998 1.3169256 16 Rh 1.2906541 0.3360202 0.5103078 -0.6671661 1.1401787 0.0740047 -0.7863374 -0.1907998 1.3169256 17 O -1.4567572 -0.1748939 -0.1226621 -0.0106571 -1.3804433 0.0659445 -0.1007671 0.2665636 0.3266768 18 O -0.4578805 0.8607324 0.0821743 0.8594722 -0.7151628 0.0315044 0.2048963 0.1815063 -1.5847863 19 O -0.4356804 -0.5791711 0.4637301 -0.5343865 -0.4377378 0.2317954 0.2692720 0.1931808 -1.0686722 20 O -1.4567572 -0.1748939 0.1226621 -0.0106571 -1.3804433 -0.0659445 0.1007671 -0.2665636 0.3266768 21 O -0.4356804 -0.5791711 0.4637301 -0.5343865 -0.4377378 0.2317954 0.2692720 0.1931808 -1.0686722 22 O -1.4567572 0.1748939 0.1226621 0.0106571 -1.3804433 0.0659445 0.1007671 0.2665636 0.3266768 23 O -0.4578805 -0.8607324 0.0821743 -0.8594722 -0.7151628 -0.0315044 0.2048963 -0.1815063 -1.5847863 24 O -0.4578805 0.8607324 -0.0821743 0.8594722 -0.7151628 -0.0315044 -0.2048963 -0.1815063 -1.5847863 25 O -0.4356804 -0.5791711 -0.4637301 -0.5343865 -0.4377378 -0.2317954 -0.2692720 -0.1931808 -1.0686722 26 O -0.4578805 0.8607324 -0.0821743 0.8594722 -0.7151628 -0.0315044 -0.2048963 -0.1815063 -1.5847863 27 O -1.4567572 -0.1748939 0.1226621 -0.0106571 -1.3804433 -0.0659445 0.1007671 -0.2665636 0.3266768 28 O -1.4567572 -0.1748939 -0.1226621 -0.0106571 -1.3804433 0.0659445 -0.1007671 0.2665636 0.3266768 29 O -0.4356804 0.5791711 -0.4637301 0.5343865 -0.4377378 0.2317954 -0.2692720 0.1931808 -1.0686722 30 O -0.4578805 0.8607324 0.0821743 0.8594722 -0.7151628 0.0315044 0.2048963 0.1815063 -1.5847863 31 O -0.4578805 -0.8607324 -0.0821743 -0.8594722 -0.7151628 0.0315044 -0.2048963 0.1815063 -1.5847863 32 O -0.4578805 -0.8607324 -0.0821743 -0.8594722 -0.7151628 0.0315044 -0.2048963 0.1815063 -1.5847863 33 O -0.4578805 -0.8607324 0.0821743 -0.8594722 -0.7151628 -0.0315044 0.2048963 -0.1815063 -1.5847863 34 O -0.4356804 0.5791711 0.4637301 0.5343865 -0.4377378 -0.2317954 0.2692720 -0.1931808 -1.0686722 35 O -0.4356804 0.5791711 0.4637301 0.5343865 -0.4377378 -0.2317954 0.2692720 -0.1931808 -1.0686722 36 O -1.4567572 0.1748939 -0.1226621 0.0106571 -1.3804433 -0.0659445 -0.1007671 -0.2665636 0.3266768 37 O -1.4567572 0.1748939 0.1226621 0.0106571 -1.3804433 0.0659445 0.1007671 0.2665636 0.3266768 38 O -1.4567572 0.1748939 -0.1226621 0.0106571 -1.3804433 -0.0659445 -0.1007671 -0.2665636 0.3266768 39 O -0.4356804 -0.5791711 -0.4637301 -0.5343865 -0.4377378 -0.2317954 -0.2692720 -0.1931808 -1.0686722 40 O -0.4356804 0.5791711 -0.4637301 0.5343865 -0.4377378 0.2317954 -0.2692720 0.1931808 -1.0686722 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:15:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:15:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.133854340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): 1 Rh 0.49926894445135 0.18001418822967 0.07548436996829 102.906 2 Rh 0.00073105554865 0.81998581177033 0.57548436996829 102.906 3 Rh 0.50076897588044 0.75077476930356 0.67871910262278 102.906 4 Rh 0.49923102411956 0.25077476930356 0.82128089737722 102.906 5 Rh 0.99923102411956 0.24922523069644 0.17871910262278 102.906 6 Rh 0.00076897588043 0.74922523069644 0.32128089737722 102.906 7 Rh 0.50076897588044 0.74922523069644 0.17871910262278 102.906 8 Rh 0.49923102411956 0.24922523069644 0.32128089737722 102.906 9 Rh 0.99926894445134 0.31998581177033 0.92451563003171 102.906 10 Rh 0.49926894445135 0.31998581177033 0.57548436996829 102.906 11 Rh 0.99926894445134 0.18001418822967 0.42451563003171 102.906 12 Rh 0.50073105554866 0.68001418822967 0.42451563003171 102.906 13 Rh 0.99923102411956 0.25077476930356 0.67871910262278 102.906 14 Rh 0.00076897588043 0.75077476930356 0.82128089737722 102.906 15 Rh 0.00073105554865 0.68001418822967 0.07548436996829 102.906 16 Rh 0.50073105554866 0.81998581177033 0.92451563003171 102.906 17 O 0.79987054307814 0.96605851389377 0.12446903706372 15.999 18 O 0.15089506291059 0.34090145212062 0.05219305581730 15.999 19 O 0.64207632114756 0.61049181809343 0.29717269615670 15.999 20 O 0.29987054307814 0.96605851389377 0.37553096293628 15.999 21 O 0.35792367885244 0.38950818190657 0.70282730384330 15.999 22 O 0.29987054307814 0.53394148610623 0.87553096293628 15.999 23 O 0.15089506291059 0.15909854787938 0.55219305581730 15.999 24 O 0.34910493708941 0.65909854787938 0.55219305581730 15.999 25 O 0.14207632114756 0.61049181809343 0.20282730384330 15.999 26 O 0.65089506291059 0.34090145212062 0.44780694418270 15.999 27 O 0.70012945692186 0.03394148610623 0.62446903706372 15.999 28 O 0.20012945692186 0.03394148610623 0.87553096293628 15.999 29 O 0.14207632114756 0.88950818190657 0.70282730384330 15.999 30 O 0.84910493708941 0.65909854787938 0.94780694418270 15.999 31 O 0.65089506291059 0.15909854787938 0.94780694418270 15.999 32 O 0.34910493708941 0.84090145212062 0.05219305581730 15.999 33 O 0.84910493708941 0.84090145212062 0.44780694418270 15.999 34 O 0.35792367885244 0.11049181809343 0.20282730384330 15.999 35 O 0.64207632114756 0.88950818190657 0.79717269615670 15.999 36 O 0.79987054307814 0.53394148610623 0.62446903706372 15.999 37 O 0.70012945692186 0.46605851389377 0.12446903706372 15.999 38 O 0.20012945692186 0.46605851389377 0.37553096293628 15.999 39 O 0.85792367885244 0.38950818190657 0.79717269615670 15.999 40 O 0.85792367885244 0.11049181809343 0.29717269615670 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.267708680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.419127560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.662087779999998 Atomic positions (fractional): 1 Rh 0.24963447222567 0.18001418822967 0.07548436996829 102.906 > 1 2 Rh 0.74963447222567 0.18001418822967 0.07548436996829 102.906 > 1 3 Rh 0.00036552777433 0.81998581177033 0.57548436996829 102.906 > 3 4 Rh 0.50036552777433 0.81998581177033 0.57548436996829 102.906 > 3 5 Rh 0.25038448794022 0.75077476930356 0.67871910262278 102.906 > 5 6 Rh 0.75038448794022 0.75077476930356 0.67871910262278 102.906 > 5 7 Rh 0.24961551205978 0.25077476930356 0.82128089737722 102.906 > 7 8 Rh 0.74961551205978 0.25077476930356 0.82128089737722 102.906 > 7 9 Rh 0.49961551205978 0.24922523069644 0.17871910262278 102.906 > 9 10 Rh 0.99961551205978 0.24922523069644 0.17871910262278 102.906 > 9 11 Rh 0.00038448794022 0.74922523069644 0.32128089737722 102.906 > 11 12 Rh 0.50038448794022 0.74922523069644 0.32128089737722 102.906 > 11 13 Rh 0.25038448794022 0.74922523069644 0.17871910262278 102.906 > 13 14 Rh 0.75038448794022 0.74922523069644 0.17871910262278 102.906 > 13 15 Rh 0.24961551205978 0.24922523069644 0.32128089737722 102.906 > 15 16 Rh 0.74961551205978 0.24922523069644 0.32128089737722 102.906 > 15 17 Rh 0.49963447222567 0.31998581177033 0.92451563003171 102.906 > 17 18 Rh 0.99963447222567 0.31998581177033 0.92451563003171 102.906 > 17 19 Rh 0.24963447222567 0.31998581177033 0.57548436996829 102.906 > 19 20 Rh 0.74963447222567 0.31998581177033 0.57548436996829 102.906 > 19 21 Rh 0.49963447222567 0.18001418822967 0.42451563003171 102.906 > 21 22 Rh 0.99963447222567 0.18001418822967 0.42451563003171 102.906 > 21 23 Rh 0.25036552777433 0.68001418822967 0.42451563003171 102.906 > 23 24 Rh 0.75036552777433 0.68001418822967 0.42451563003171 102.906 > 23 25 Rh 0.49961551205978 0.25077476930356 0.67871910262278 102.906 > 25 26 Rh 0.99961551205978 0.25077476930356 0.67871910262278 102.906 > 25 27 Rh 0.00038448794022 0.75077476930356 0.82128089737722 102.906 > 27 28 Rh 0.50038448794022 0.75077476930356 0.82128089737722 102.906 > 27 29 Rh 0.00036552777433 0.68001418822967 0.07548436996829 102.906 > 29 30 Rh 0.50036552777433 0.68001418822967 0.07548436996829 102.906 > 29 31 Rh 0.25036552777433 0.81998581177033 0.92451563003171 102.906 > 31 32 Rh 0.75036552777433 0.81998581177033 0.92451563003171 102.906 > 31 33 O 0.39993527153907 0.96605851389377 0.12446903706372 15.999 > 33 34 O 0.89993527153907 0.96605851389377 0.12446903706372 15.999 > 33 35 O 0.07544753145530 0.34090145212062 0.05219305581730 15.999 > 35 36 O 0.57544753145530 0.34090145212062 0.05219305581730 15.999 > 35 37 O 0.32103816057378 0.61049181809343 0.29717269615670 15.999 > 37 38 O 0.82103816057378 0.61049181809343 0.29717269615670 15.999 > 37 39 O 0.14993527153907 0.96605851389377 0.37553096293628 15.999 > 39 40 O 0.64993527153907 0.96605851389377 0.37553096293628 15.999 > 39 41 O 0.17896183942622 0.38950818190657 0.70282730384330 15.999 > 41 42 O 0.67896183942622 0.38950818190657 0.70282730384330 15.999 > 41 43 O 0.14993527153907 0.53394148610623 0.87553096293628 15.999 > 43 44 O 0.64993527153907 0.53394148610623 0.87553096293628 15.999 > 43 45 O 0.07544753145530 0.15909854787938 0.55219305581730 15.999 > 45 46 O 0.57544753145530 0.15909854787938 0.55219305581730 15.999 > 45 47 O 0.17455246854470 0.65909854787938 0.55219305581730 15.999 > 47 48 O 0.67455246854470 0.65909854787938 0.55219305581730 15.999 > 47 49 O 0.07103816057378 0.61049181809343 0.20282730384330 15.999 > 49 50 O 0.57103816057378 0.61049181809343 0.20282730384330 15.999 > 49 51 O 0.32544753145530 0.34090145212062 0.44780694418270 15.999 > 51 52 O 0.82544753145530 0.34090145212062 0.44780694418270 15.999 > 51 53 O 0.35006472846093 0.03394148610623 0.62446903706372 15.999 > 53 54 O 0.85006472846093 0.03394148610623 0.62446903706372 15.999 > 53 55 O 0.10006472846093 0.03394148610623 0.87553096293628 15.999 > 55 56 O 0.60006472846093 0.03394148610623 0.87553096293628 15.999 > 55 57 O 0.07103816057378 0.88950818190657 0.70282730384330 15.999 > 57 58 O 0.57103816057378 0.88950818190657 0.70282730384330 15.999 > 57 59 O 0.42455246854470 0.65909854787938 0.94780694418270 15.999 > 59 60 O 0.92455246854470 0.65909854787938 0.94780694418270 15.999 > 59 61 O 0.32544753145530 0.15909854787938 0.94780694418270 15.999 > 61 62 O 0.82544753145530 0.15909854787938 0.94780694418270 15.999 > 61 63 O 0.17455246854470 0.84090145212062 0.05219305581730 15.999 > 63 64 O 0.67455246854470 0.84090145212062 0.05219305581730 15.999 > 63 65 O 0.42455246854470 0.84090145212062 0.44780694418270 15.999 > 65 66 O 0.92455246854470 0.84090145212062 0.44780694418270 15.999 > 65 67 O 0.17896183942622 0.11049181809343 0.20282730384330 15.999 > 67 68 O 0.67896183942622 0.11049181809343 0.20282730384330 15.999 > 67 69 O 0.32103816057378 0.88950818190657 0.79717269615670 15.999 > 69 70 O 0.82103816057378 0.88950818190657 0.79717269615670 15.999 > 69 71 O 0.39993527153907 0.53394148610623 0.62446903706372 15.999 > 71 72 O 0.89993527153907 0.53394148610623 0.62446903706372 15.999 > 71 73 O 0.35006472846093 0.46605851389377 0.12446903706372 15.999 > 73 74 O 0.85006472846093 0.46605851389377 0.12446903706372 15.999 > 73 75 O 0.10006472846093 0.46605851389377 0.37553096293628 15.999 > 75 76 O 0.60006472846093 0.46605851389377 0.37553096293628 15.999 > 75 77 O 0.42896183942622 0.38950818190657 0.79717269615670 15.999 > 77 78 O 0.92896183942622 0.38950818190657 0.79717269615670 15.999 > 77 79 O 0.42896183942622 0.11049181809343 0.29717269615670 15.999 > 79 80 O 0.92896183942622 0.11049181809343 0.29717269615670 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.9162093 0.0000000 0.0000000 0.0000000 21.4016261 0.0000000 0.0000000 0.0000000 17.5170534 -------------------------- Born effective charges -------------------------- 1 Rh 1.2906541 0.3360202 0.5103078 -0.6671661 1.1401787 0.0740047 -0.7863374 -0.1907998 1.3169256 2 Rh 1.2906541 0.3360202 -0.5103078 -0.6671661 1.1401787 -0.0740047 0.7863374 0.1907998 1.3169256 3 Rh 1.0596641 0.9145915 -0.9164778 0.2140742 1.3931652 1.0470468 0.4855529 1.0781882 1.0098560 4 Rh 1.0596641 -0.9145915 -0.9164778 -0.2140742 1.3931652 -1.0470468 0.4855529 -1.0781882 1.0098560 5 Rh 1.0596641 0.9145915 0.9164778 0.2140742 1.3931652 -1.0470468 -0.4855529 -1.0781882 1.0098560 6 Rh 1.0596641 -0.9145915 0.9164778 -0.2140742 1.3931652 1.0470468 -0.4855529 1.0781882 1.0098560 7 Rh 1.0596641 -0.9145915 -0.9164778 -0.2140742 1.3931652 -1.0470468 0.4855529 -1.0781882 1.0098560 8 Rh 1.0596641 0.9145915 -0.9164778 0.2140742 1.3931652 1.0470468 0.4855529 1.0781882 1.0098560 9 Rh 1.2906541 -0.3360202 -0.5103078 0.6671661 1.1401787 0.0740047 0.7863374 -0.1907998 1.3169256 10 Rh 1.2906541 -0.3360202 0.5103078 0.6671661 1.1401787 -0.0740047 -0.7863374 0.1907998 1.3169256 11 Rh 1.2906541 0.3360202 -0.5103078 -0.6671661 1.1401787 -0.0740047 0.7863374 0.1907998 1.3169256 12 Rh 1.2906541 -0.3360202 0.5103078 0.6671661 1.1401787 -0.0740047 -0.7863374 0.1907998 1.3169256 13 Rh 1.0596641 -0.9145915 0.9164778 -0.2140742 1.3931652 1.0470468 -0.4855529 1.0781882 1.0098560 14 Rh 1.0596641 0.9145915 0.9164778 0.2140742 1.3931652 -1.0470468 -0.4855529 -1.0781882 1.0098560 15 Rh 1.2906541 -0.3360202 -0.5103078 0.6671661 1.1401787 0.0740047 0.7863374 -0.1907998 1.3169256 16 Rh 1.2906541 0.3360202 0.5103078 -0.6671661 1.1401787 0.0740047 -0.7863374 -0.1907998 1.3169256 17 O -1.4567572 -0.1748939 -0.1226621 -0.0106571 -1.3804433 0.0659445 -0.1007671 0.2665636 0.3266768 18 O -0.4578805 0.8607324 0.0821743 0.8594722 -0.7151628 0.0315044 0.2048963 0.1815063 -1.5847863 19 O -0.4356804 -0.5791711 0.4637301 -0.5343865 -0.4377378 0.2317954 0.2692720 0.1931808 -1.0686722 20 O -1.4567572 -0.1748939 0.1226621 -0.0106571 -1.3804433 -0.0659445 0.1007671 -0.2665636 0.3266768 21 O -0.4356804 -0.5791711 0.4637301 -0.5343865 -0.4377378 0.2317954 0.2692720 0.1931808 -1.0686722 22 O -1.4567572 0.1748939 0.1226621 0.0106571 -1.3804433 0.0659445 0.1007671 0.2665636 0.3266768 23 O -0.4578805 -0.8607324 0.0821743 -0.8594722 -0.7151628 -0.0315044 0.2048963 -0.1815063 -1.5847863 24 O -0.4578805 0.8607324 -0.0821743 0.8594722 -0.7151628 -0.0315044 -0.2048963 -0.1815063 -1.5847863 25 O -0.4356804 -0.5791711 -0.4637301 -0.5343865 -0.4377378 -0.2317954 -0.2692720 -0.1931808 -1.0686722 26 O -0.4578805 0.8607324 -0.0821743 0.8594722 -0.7151628 -0.0315044 -0.2048963 -0.1815063 -1.5847863 27 O -1.4567572 -0.1748939 0.1226621 -0.0106571 -1.3804433 -0.0659445 0.1007671 -0.2665636 0.3266768 28 O -1.4567572 -0.1748939 -0.1226621 -0.0106571 -1.3804433 0.0659445 -0.1007671 0.2665636 0.3266768 29 O -0.4356804 0.5791711 -0.4637301 0.5343865 -0.4377378 0.2317954 -0.2692720 0.1931808 -1.0686722 30 O -0.4578805 0.8607324 0.0821743 0.8594722 -0.7151628 0.0315044 0.2048963 0.1815063 -1.5847863 31 O -0.4578805 -0.8607324 -0.0821743 -0.8594722 -0.7151628 0.0315044 -0.2048963 0.1815063 -1.5847863 32 O -0.4578805 -0.8607324 -0.0821743 -0.8594722 -0.7151628 0.0315044 -0.2048963 0.1815063 -1.5847863 33 O -0.4578805 -0.8607324 0.0821743 -0.8594722 -0.7151628 -0.0315044 0.2048963 -0.1815063 -1.5847863 34 O -0.4356804 0.5791711 0.4637301 0.5343865 -0.4377378 -0.2317954 0.2692720 -0.1931808 -1.0686722 35 O -0.4356804 0.5791711 0.4637301 0.5343865 -0.4377378 -0.2317954 0.2692720 -0.1931808 -1.0686722 36 O -1.4567572 0.1748939 -0.1226621 0.0106571 -1.3804433 -0.0659445 -0.1007671 -0.2665636 0.3266768 37 O -1.4567572 0.1748939 0.1226621 0.0106571 -1.3804433 0.0659445 0.1007671 0.2665636 0.3266768 38 O -1.4567572 0.1748939 -0.1226621 0.0106571 -1.3804433 -0.0659445 -0.1007671 -0.2665636 0.3266768 39 O -0.4356804 -0.5791711 -0.4637301 -0.5343865 -0.4377378 -0.2317954 -0.2692720 -0.1931808 -1.0686722 40 O -0.4356804 0.5791711 -0.4637301 0.5343865 -0.4377378 0.2317954 -0.2692720 0.1931808 -1.0686722 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 3 ] 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: 0.56, Number of G-points: 299, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -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 2.178 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.502 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.071 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.632 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.835 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.157 ( 0.000 0.000 0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.837 ( 0.000 0.000 0.000) 0.000 14.898 ( 0.000 0.000 0.000) 0.000 14.925 ( 0.000 0.000 0.000) 0.000 15.100 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 16.111 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.248 ( 0.000 0.000 0.000) 0.000 16.361 ( 0.000 0.000 0.000) 0.000 16.423 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.755 ( 0.000 0.000 0.000) 0.000 16.783 ( 0.000 0.000 0.000) 0.000 16.791 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 16.904 ( 0.000 0.000 0.000) 0.000 16.906 ( 0.000 0.000 0.000) 0.000 17.111 ( 0.000 0.000 0.000) 0.000 17.137 ( 0.000 0.000 0.000) 0.000 17.193 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.348 ( 0.000 0.000 0.000) 0.000 17.363 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 0.000 0.000) 0.000 17.552 ( 0.000 0.000 0.000) 0.000 17.588 ( 0.000 0.000 0.000) 0.000 17.618 ( 0.000 0.000 0.000) 0.000 17.667 ( 0.000 0.000 0.000) 0.000 17.775 ( 0.000 0.000 0.000) 0.000 17.783 ( 0.000 0.000 0.000) 0.000 17.947 ( 0.000 0.000 0.000) 0.000 17.949 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 18.124 ( 0.000 0.000 0.000) 0.000 18.125 ( 0.000 0.000 0.000) 0.000 18.162 ( 0.000 0.000 0.000) 0.000 18.250 ( 0.000 0.000 0.000) 0.000 18.581 ( 0.000 0.000 0.000) 0.000 18.615 ( 0.000 0.000 0.000) 0.000 18.774 ( 0.000 0.000 0.000) 0.000 18.806 ( 0.000 0.000 0.000) 0.000 18.817 ( 0.000 0.000 0.000) 0.000 18.821 ( 0.000 0.000 0.000) 0.000 18.867 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 0.000 0.000) 0.000 18.977 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 33.373 0.000 0.000) 33.373 0.836 ( 42.724 0.000 0.000) 42.724 1.354 ( 69.187 0.000 0.000) 69.187 2.329 ( 14.852 0.000 0.000) 14.852 2.578 ( 15.203 0.000 0.000) 15.203 2.581 ( 18.440 0.000 0.000) 18.440 2.649 ( 12.387 0.000 0.000) 12.387 4.022 ( 8.486 0.000 0.000) 8.486 4.423 ( 10.433 0.000 0.000) 10.433 4.691 ( 13.288 0.000 0.000) 13.288 4.767 ( 10.109 0.000 0.000) 10.109 5.079 ( -12.119 0.000 0.000) 12.119 5.490 ( -9.597 0.000 0.000) 9.597 5.502 ( -1.486 0.000 0.000) 1.486 5.610 ( -12.230 0.000 0.000) 12.230 5.645 ( 6.354 0.000 0.000) 6.354 5.959 ( -11.622 0.000 0.000) 11.622 6.073 ( -5.691 0.000 0.000) 5.691 6.103 ( 6.882 0.000 0.000) 6.882 6.136 ( -2.659 0.000 0.000) 2.659 6.227 ( 1.891 0.000 0.000) 1.891 6.354 ( -8.015 0.000 0.000) 8.015 6.375 ( 1.970 0.000 0.000) 1.970 6.698 ( -5.204 0.000 0.000) 5.204 6.736 ( -5.255 0.000 0.000) 5.255 6.770 ( 16.937 0.000 0.000) 16.937 6.856 ( -1.499 0.000 0.000) 1.499 7.070 ( -6.232 0.000 0.000) 6.232 7.224 ( 4.655 0.000 0.000) 4.655 7.377 ( 0.822 0.000 0.000) 0.822 7.450 ( -7.555 0.000 0.000) 7.555 7.504 ( -2.891 0.000 0.000) 2.891 7.760 ( 2.341 0.000 0.000) 2.341 7.767 ( 4.955 0.000 0.000) 4.955 8.025 ( -3.521 0.000 0.000) 3.521 8.035 ( -0.190 0.000 0.000) 0.190 8.062 ( -9.492 0.000 0.000) 9.492 8.143 ( 5.699 0.000 0.000) 5.699 8.283 ( 4.999 0.000 0.000) 4.999 8.471 ( -2.963 0.000 0.000) 2.963 8.557 ( 0.244 0.000 0.000) 0.244 8.877 ( -6.456 0.000 0.000) 6.456 8.933 ( 0.209 0.000 0.000) 0.209 8.985 ( -5.381 0.000 0.000) 5.381 9.004 ( -3.818 0.000 0.000) 3.818 9.022 ( -4.980 0.000 0.000) 4.980 9.188 ( -13.082 0.000 0.000) 13.082 9.393 ( -3.645 0.000 0.000) 3.645 12.564 ( 1.801 0.000 0.000) 1.801 12.692 ( 4.552 0.000 0.000) 4.552 12.695 ( 6.310 0.000 0.000) 6.310 12.763 ( 0.974 0.000 0.000) 0.974 12.805 ( 4.637 0.000 0.000) 4.637 12.866 ( 4.006 0.000 0.000) 4.006 12.941 ( 4.704 0.000 0.000) 4.704 13.139 ( 3.950 0.000 0.000) 3.950 13.200 ( 4.412 0.000 0.000) 4.412 13.308 ( 7.340 0.000 0.000) 7.340 13.423 ( 1.487 0.000 0.000) 1.487 13.459 ( 5.564 0.000 0.000) 5.564 13.591 ( 7.199 0.000 0.000) 7.199 13.945 ( 0.451 0.000 0.000) 0.451 14.144 ( 6.684 0.000 0.000) 6.684 14.180 ( -0.207 0.000 0.000) 0.207 14.241 ( 1.424 0.000 0.000) 1.424 14.423 ( 4.044 0.000 0.000) 4.044 14.467 ( 4.942 0.000 0.000) 4.942 14.529 ( 2.688 0.000 0.000) 2.688 14.887 ( -1.937 0.000 0.000) 1.937 14.904 ( 0.646 0.000 0.000) 0.646 14.909 ( -1.525 0.000 0.000) 1.525 15.098 ( -0.290 0.000 0.000) 0.290 15.580 ( 1.299 0.000 0.000) 1.299 15.925 ( -11.643 0.000 0.000) 11.643 15.975 ( -6.380 0.000 0.000) 6.380 16.053 ( -1.237 0.000 0.000) 1.237 16.056 ( -1.748 0.000 0.000) 1.748 16.073 ( -2.364 0.000 0.000) 2.364 16.078 ( -1.501 0.000 0.000) 1.501 16.202 ( -1.045 0.000 0.000) 1.045 16.331 ( 3.930 0.000 0.000) 3.930 16.399 ( -2.507 0.000 0.000) 2.507 16.404 ( 4.176 0.000 0.000) 4.176 16.451 ( -3.438 0.000 0.000) 3.438 16.672 ( -5.081 0.000 0.000) 5.081 16.717 ( -5.409 0.000 0.000) 5.409 16.834 ( 1.865 0.000 0.000) 1.865 16.863 ( -1.618 0.000 0.000) 1.618 16.864 ( -3.230 0.000 0.000) 3.230 16.930 ( -0.276 0.000 0.000) 0.276 17.084 ( -1.325 0.000 0.000) 1.325 17.138 ( -0.162 0.000 0.000) 0.162 17.195 ( -1.983 0.000 0.000) 1.983 17.223 ( 1.201 0.000 0.000) 1.201 17.362 ( -0.298 0.000 0.000) 0.298 17.379 ( 0.194 0.000 0.000) 0.194 17.386 ( -1.691 0.000 0.000) 1.691 17.399 ( -0.526 0.000 0.000) 0.526 17.492 ( -4.985 0.000 0.000) 4.985 17.514 ( -4.839 0.000 0.000) 4.839 17.650 ( 1.174 0.000 0.000) 1.174 17.677 ( 0.926 0.000 0.000) 0.926 17.783 ( 0.627 0.000 0.000) 0.627 17.820 ( 2.726 0.000 0.000) 2.726 17.961 ( 1.395 0.000 0.000) 1.395 17.982 ( 3.251 0.000 0.000) 3.251 18.090 ( -1.962 0.000 0.000) 1.962 18.143 ( 1.906 0.000 0.000) 1.906 18.154 ( 2.869 0.000 0.000) 2.869 18.210 ( 3.101 0.000 0.000) 3.101 18.262 ( 1.206 0.000 0.000) 1.206 18.575 ( -3.483 0.000 0.000) 3.483 18.615 ( 0.143 0.000 0.000) 0.143 18.761 ( -4.382 0.000 0.000) 4.382 18.781 ( 0.340 0.000 0.000) 0.340 18.794 ( -2.928 0.000 0.000) 2.928 18.799 ( -6.769 0.000 0.000) 6.769 18.837 ( -4.232 0.000 0.000) 4.232 18.920 ( -1.712 0.000 0.000) 1.712 18.954 ( -2.229 0.000 0.000) 2.229 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.303 ( 34.058 0.000 0.000) 34.058 1.659 ( 41.627 0.000 0.000) 41.627 2.670 ( 53.995 0.000 0.000) 53.995 2.737 ( 37.760 0.000 0.000) 37.760 2.980 ( 20.673 0.000 0.000) 20.673 2.981 ( 25.062 0.000 0.000) 25.062 3.045 ( 27.450 0.000 0.000) 27.450 4.248 ( 14.106 0.000 0.000) 14.106 4.707 ( 18.083 0.000 0.000) 18.083 4.780 ( -18.211 0.000 0.000) 18.211 5.018 ( 11.916 0.000 0.000) 11.916 5.047 ( 21.824 0.000 0.000) 21.824 5.249 ( -14.554 0.000 0.000) 14.554 5.393 ( -6.551 0.000 0.000) 6.551 5.424 ( -7.289 0.000 0.000) 7.289 5.672 ( -4.728 0.000 0.000) 4.728 5.901 ( 6.555 0.000 0.000) 6.555 5.965 ( -5.591 0.000 0.000) 5.591 6.084 ( -2.390 0.000 0.000) 2.390 6.106 ( -16.196 0.000 0.000) 16.196 6.181 ( 0.847 0.000 0.000) 0.847 6.263 ( -12.142 0.000 0.000) 12.142 6.285 ( 3.803 0.000 0.000) 3.803 6.550 ( -9.538 0.000 0.000) 9.538 6.618 ( -5.626 0.000 0.000) 5.626 6.884 ( 2.769 0.000 0.000) 2.769 6.906 ( -10.323 0.000 0.000) 10.323 7.104 ( 15.907 0.000 0.000) 15.907 7.320 ( -3.669 0.000 0.000) 3.669 7.330 ( -3.285 0.000 0.000) 3.285 7.351 ( 8.082 0.000 0.000) 8.082 7.563 ( 7.205 0.000 0.000) 7.205 7.720 ( -11.415 0.000 0.000) 11.415 7.876 ( -3.419 0.000 0.000) 3.419 7.895 ( -2.345 0.000 0.000) 2.345 7.935 ( 3.971 0.000 0.000) 3.971 8.030 ( -0.248 0.000 0.000) 0.248 8.247 ( 4.167 0.000 0.000) 4.167 8.370 ( 2.616 0.000 0.000) 2.616 8.397 ( -4.550 0.000 0.000) 4.550 8.564 ( 0.016 0.000 0.000) 0.016 8.718 ( -10.137 0.000 0.000) 10.137 8.819 ( -24.117 0.000 0.000) 24.117 8.823 ( -11.171 0.000 0.000) 11.171 8.874 ( -8.739 0.000 0.000) 8.739 8.886 ( -8.503 0.000 0.000) 8.503 8.934 ( -0.370 0.000 0.000) 0.370 9.291 ( -6.671 0.000 0.000) 6.671 12.624 ( 4.550 0.000 0.000) 4.550 12.803 ( 3.381 0.000 0.000) 3.381 12.816 ( 7.947 0.000 0.000) 7.947 12.824 ( 6.684 0.000 0.000) 6.684 12.930 ( 7.731 0.000 0.000) 7.731 13.016 ( 10.767 0.000 0.000) 10.767 13.075 ( 8.994 0.000 0.000) 8.994 13.233 ( 4.965 0.000 0.000) 4.965 13.323 ( 7.872 0.000 0.000) 7.872 13.456 ( 1.746 0.000 0.000) 1.746 13.490 ( 10.740 0.000 0.000) 10.740 13.609 ( 9.456 0.000 0.000) 9.456 13.766 ( 10.111 0.000 0.000) 10.111 13.976 ( 2.485 0.000 0.000) 2.485 14.178 ( 0.019 0.000 0.000) 0.019 14.280 ( 2.081 0.000 0.000) 2.081 14.282 ( 6.246 0.000 0.000) 6.246 14.522 ( 5.495 0.000 0.000) 5.495 14.592 ( 7.244 0.000 0.000) 7.244 14.602 ( 4.876 0.000 0.000) 4.876 14.828 ( -4.167 0.000 0.000) 4.167 14.876 ( -1.478 0.000 0.000) 1.478 14.922 ( 1.166 0.000 0.000) 1.166 15.077 ( -2.298 0.000 0.000) 2.298 15.628 ( 3.852 0.000 0.000) 3.852 15.704 ( -9.915 0.000 0.000) 9.915 15.818 ( -9.038 0.000 0.000) 9.038 16.019 ( -1.511 0.000 0.000) 1.511 16.025 ( -2.246 0.000 0.000) 2.246 16.030 ( -0.547 0.000 0.000) 0.547 16.039 ( -2.341 0.000 0.000) 2.341 16.180 ( -1.080 0.000 0.000) 1.080 16.329 ( -4.397 0.000 0.000) 4.397 16.353 ( -6.363 0.000 0.000) 6.363 16.389 ( 2.385 0.000 0.000) 2.385 16.487 ( 3.853 0.000 0.000) 3.853 16.580 ( -4.195 0.000 0.000) 4.195 16.608 ( -5.680 0.000 0.000) 5.680 16.787 ( -4.501 0.000 0.000) 4.501 16.797 ( -4.446 0.000 0.000) 4.446 16.844 ( -0.643 0.000 0.000) 0.643 16.907 ( -1.993 0.000 0.000) 1.993 17.063 ( -1.412 0.000 0.000) 1.412 17.115 ( -2.607 0.000 0.000) 2.607 17.160 ( -1.528 0.000 0.000) 1.528 17.204 ( -3.078 0.000 0.000) 3.078 17.329 ( -3.902 0.000 0.000) 3.902 17.361 ( -0.589 0.000 0.000) 0.589 17.372 ( -3.329 0.000 0.000) 3.329 17.374 ( -0.601 0.000 0.000) 0.601 17.407 ( -2.183 0.000 0.000) 2.183 17.437 ( -2.396 0.000 0.000) 2.396 17.662 ( 0.279 0.000 0.000) 0.279 17.695 ( 0.758 0.000 0.000) 0.758 17.788 ( -0.360 0.000 0.000) 0.360 17.858 ( 0.652 0.000 0.000) 0.652 18.001 ( 2.702 0.000 0.000) 2.702 18.053 ( -1.868 0.000 0.000) 1.868 18.065 ( 4.930 0.000 0.000) 4.930 18.198 ( 3.707 0.000 0.000) 3.707 18.227 ( 4.264 0.000 0.000) 4.264 18.257 ( 1.494 0.000 0.000) 1.494 18.293 ( 1.823 0.000 0.000) 1.823 18.505 ( -3.134 0.000 0.000) 3.134 18.614 ( -0.395 0.000 0.000) 0.395 18.621 ( -10.855 0.000 0.000) 10.855 18.647 ( -6.956 0.000 0.000) 6.956 18.664 ( -9.544 0.000 0.000) 9.544 18.773 ( -2.539 0.000 0.000) 2.539 18.777 ( -0.818 0.000 0.000) 0.818 18.871 ( -3.194 0.000 0.000) 3.194 18.896 ( -3.504 0.000 0.000) 3.504 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 34.493 0.000 0.000) 34.493 2.451 ( 39.459 0.000 0.000) 39.459 3.222 ( 27.134 0.000 0.000) 27.134 3.421 ( 23.784 0.000 0.000) 23.784 3.516 ( 29.047 0.000 0.000) 29.047 3.597 ( 28.342 0.000 0.000) 28.342 3.984 ( 64.150 0.000 0.000) 64.150 4.385 ( -21.674 0.000 0.000) 21.674 4.525 ( 11.144 0.000 0.000) 11.144 4.954 ( -13.214 0.000 0.000) 13.214 4.974 ( -12.139 0.000 0.000) 12.139 5.094 ( 18.387 0.000 0.000) 18.387 5.214 ( -11.494 0.000 0.000) 11.494 5.395 ( 4.770 0.000 0.000) 4.770 5.546 ( 13.556 0.000 0.000) 13.556 5.583 ( -4.564 0.000 0.000) 4.564 5.721 ( -19.812 0.000 0.000) 19.812 5.870 ( -0.494 0.000 0.000) 0.494 6.013 ( -5.923 0.000 0.000) 5.923 6.078 ( -0.657 0.000 0.000) 0.657 6.113 ( 12.220 0.000 0.000) 12.220 6.190 ( 3.394 0.000 0.000) 3.394 6.352 ( -6.492 0.000 0.000) 6.492 6.356 ( 0.492 0.000 0.000) 0.492 6.577 ( 2.692 0.000 0.000) 2.692 6.675 ( -13.317 0.000 0.000) 13.317 6.875 ( -3.338 0.000 0.000) 3.338 7.311 ( 1.457 0.000 0.000) 1.457 7.354 ( 6.057 0.000 0.000) 6.057 7.355 ( 8.379 0.000 0.000) 8.379 7.392 ( -16.903 0.000 0.000) 16.903 7.535 ( 7.207 0.000 0.000) 7.207 7.679 ( -10.441 0.000 0.000) 10.441 7.724 ( 8.440 0.000 0.000) 8.440 7.895 ( -0.112 0.000 0.000) 0.112 8.026 ( -0.308 0.000 0.000) 0.308 8.153 ( 13.522 0.000 0.000) 13.522 8.213 ( -33.784 0.000 0.000) 33.784 8.267 ( -4.773 0.000 0.000) 4.773 8.293 ( -6.138 0.000 0.000) 6.138 8.295 ( -13.539 0.000 0.000) 13.539 8.470 ( -12.866 0.000 0.000) 12.866 8.610 ( 1.515 0.000 0.000) 1.515 8.611 ( -7.852 0.000 0.000) 7.852 8.715 ( -7.912 0.000 0.000) 7.912 8.719 ( -6.235 0.000 0.000) 6.235 8.909 ( -2.390 0.000 0.000) 2.390 9.137 ( -9.030 0.000 0.000) 9.030 12.741 ( 7.349 0.000 0.000) 7.349 12.899 ( 6.373 0.000 0.000) 6.373 12.968 ( 8.177 0.000 0.000) 8.177 12.987 ( 9.175 0.000 0.000) 9.175 13.077 ( 6.363 0.000 0.000) 6.363 13.231 ( 10.168 0.000 0.000) 10.168 13.284 ( 12.209 0.000 0.000) 12.209 13.306 ( 1.994 0.000 0.000) 1.994 13.483 ( 0.867 0.000 0.000) 0.867 13.494 ( 9.550 0.000 0.000) 9.550 13.705 ( 10.961 0.000 0.000) 10.961 13.811 ( 10.645 0.000 0.000) 10.645 13.967 ( 10.160 0.000 0.000) 10.160 14.028 ( 2.485 0.000 0.000) 2.485 14.176 ( -0.445 0.000 0.000) 0.445 14.292 ( -1.480 0.000 0.000) 1.480 14.338 ( -1.355 0.000 0.000) 1.355 14.616 ( 3.801 0.000 0.000) 3.801 14.668 ( -4.431 0.000 0.000) 4.431 14.720 ( 6.728 0.000 0.000) 6.728 14.774 ( 2.922 0.000 0.000) 2.922 14.865 ( 0.500 0.000 0.000) 0.500 14.943 ( 0.857 0.000 0.000) 0.857 15.006 ( -4.434 0.000 0.000) 4.434 15.582 ( -1.691 0.000 0.000) 1.691 15.653 ( -7.048 0.000 0.000) 7.048 15.723 ( 4.756 0.000 0.000) 4.756 15.999 ( -0.278 0.000 0.000) 0.278 16.003 ( -0.593 0.000 0.000) 0.593 16.011 ( 0.840 0.000 0.000) 0.840 16.045 ( 1.162 0.000 0.000) 1.162 16.174 ( 1.582 0.000 0.000) 1.582 16.219 ( -6.642 0.000 0.000) 6.642 16.250 ( -2.962 0.000 0.000) 2.962 16.425 ( 1.394 0.000 0.000) 1.394 16.495 ( -5.957 0.000 0.000) 5.957 16.513 ( -2.592 0.000 0.000) 2.592 16.562 ( 4.238 0.000 0.000) 4.238 16.695 ( -4.870 0.000 0.000) 4.870 16.710 ( -4.235 0.000 0.000) 4.235 16.820 ( -1.397 0.000 0.000) 1.397 16.860 ( -2.602 0.000 0.000) 2.602 17.015 ( -3.518 0.000 0.000) 3.518 17.027 ( -6.306 0.000 0.000) 6.306 17.125 ( -2.371 0.000 0.000) 2.371 17.127 ( -4.405 0.000 0.000) 4.405 17.213 ( -7.326 0.000 0.000) 7.326 17.290 ( -4.898 0.000 0.000) 4.898 17.358 ( 0.139 0.000 0.000) 0.139 17.364 ( -0.236 0.000 0.000) 0.236 17.390 ( -0.339 0.000 0.000) 0.339 17.413 ( -0.678 0.000 0.000) 0.678 17.665 ( -0.019 0.000 0.000) 0.019 17.702 ( -0.105 0.000 0.000) 0.105 17.763 ( -2.249 0.000 0.000) 2.249 17.832 ( -3.374 0.000 0.000) 3.374 18.020 ( -1.261 0.000 0.000) 1.261 18.062 ( 3.343 0.000 0.000) 3.343 18.158 ( 4.150 0.000 0.000) 4.150 18.265 ( -0.571 0.000 0.000) 0.571 18.284 ( 4.741 0.000 0.000) 4.741 18.296 ( 1.417 0.000 0.000) 1.417 18.322 ( 0.771 0.000 0.000) 0.771 18.420 ( -8.189 0.000 0.000) 8.189 18.466 ( -0.899 0.000 0.000) 0.899 18.470 ( -8.449 0.000 0.000) 8.449 18.503 ( -7.073 0.000 0.000) 7.073 18.601 ( -1.294 0.000 0.000) 1.294 18.728 ( -2.079 0.000 0.000) 2.079 18.751 ( -1.706 0.000 0.000) 1.706 18.805 ( -3.356 0.000 0.000) 3.356 18.827 ( -3.389 0.000 0.000) 3.389 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.638 ( 33.622 0.000 0.000) 33.622 3.189 ( 36.110 0.000 0.000) 36.110 3.666 ( 5.995 0.000 0.000) 5.995 3.878 ( 22.476 0.000 0.000) 22.476 3.996 ( -5.662 0.000 0.000) 5.662 4.080 ( 27.723 0.000 0.000) 27.723 4.121 ( 24.416 0.000 0.000) 24.416 4.385 ( -22.405 0.000 0.000) 22.405 4.706 ( -14.014 0.000 0.000) 14.014 4.860 ( -19.012 0.000 0.000) 19.012 5.003 ( 13.739 0.000 0.000) 13.739 5.149 ( -20.523 0.000 0.000) 20.523 5.160 ( 30.617 0.000 0.000) 30.617 5.265 ( 1.994 0.000 0.000) 1.994 5.527 ( 19.584 0.000 0.000) 19.584 5.580 ( -9.081 0.000 0.000) 9.081 5.606 ( 2.872 0.000 0.000) 2.872 5.870 ( -6.712 0.000 0.000) 6.712 5.911 ( 2.223 0.000 0.000) 2.223 6.134 ( -8.764 0.000 0.000) 8.764 6.329 ( 16.859 0.000 0.000) 16.859 6.377 ( 7.673 0.000 0.000) 7.673 6.395 ( -8.018 0.000 0.000) 8.018 6.404 ( 3.539 0.000 0.000) 3.539 6.572 ( 27.911 0.000 0.000) 27.911 6.713 ( 9.520 0.000 0.000) 9.520 6.853 ( 5.510 0.000 0.000) 5.510 7.039 ( -18.218 0.000 0.000) 18.218 7.287 ( -13.091 0.000 0.000) 13.091 7.352 ( -38.742 0.000 0.000) 38.742 7.352 ( 0.654 0.000 0.000) 0.654 7.473 ( 3.832 0.000 0.000) 3.832 7.652 ( 6.008 0.000 0.000) 6.008 7.788 ( 2.583 0.000 0.000) 2.583 7.824 ( -4.950 0.000 0.000) 4.950 7.848 ( -25.248 0.000 0.000) 25.248 7.891 ( 0.176 0.000 0.000) 0.176 8.003 ( -10.201 0.000 0.000) 10.201 8.046 ( -1.412 0.000 0.000) 1.412 8.158 ( -7.623 0.000 0.000) 7.623 8.362 ( -1.471 0.000 0.000) 1.471 8.428 ( 14.207 0.000 0.000) 14.207 8.470 ( -7.367 0.000 0.000) 7.367 8.628 ( -1.720 0.000 0.000) 1.720 8.634 ( -2.588 0.000 0.000) 2.588 8.659 ( 3.201 0.000 0.000) 3.201 8.841 ( -4.378 0.000 0.000) 4.378 8.942 ( -10.966 0.000 0.000) 10.966 12.900 ( 8.590 0.000 0.000) 8.590 13.042 ( 7.744 0.000 0.000) 7.744 13.127 ( 7.388 0.000 0.000) 7.388 13.140 ( -0.324 0.000 0.000) 0.324 13.151 ( 6.880 0.000 0.000) 6.880 13.298 ( -2.903 0.000 0.000) 2.903 13.383 ( 5.011 0.000 0.000) 5.011 13.460 ( 0.322 0.000 0.000) 0.322 13.567 ( 13.083 0.000 0.000) 13.083 13.698 ( 11.318 0.000 0.000) 11.318 13.904 ( 9.092 0.000 0.000) 9.092 13.980 ( 4.499 0.000 0.000) 4.499 14.041 ( -3.187 0.000 0.000) 3.187 14.144 ( 7.401 0.000 0.000) 7.401 14.151 ( -2.422 0.000 0.000) 2.422 14.231 ( -3.118 0.000 0.000) 3.118 14.263 ( -2.887 0.000 0.000) 2.887 14.503 ( -10.149 0.000 0.000) 10.149 14.667 ( 1.769 0.000 0.000) 1.769 14.787 ( -1.872 0.000 0.000) 1.872 14.849 ( 2.927 0.000 0.000) 2.927 14.882 ( 0.723 0.000 0.000) 0.723 14.958 ( 0.772 0.000 0.000) 0.772 14.958 ( 0.682 0.000 0.000) 0.682 15.576 ( -0.190 0.000 0.000) 0.190 15.645 ( 7.345 0.000 0.000) 7.345 15.741 ( -3.325 0.000 0.000) 3.325 15.995 ( -6.598 0.000 0.000) 6.598 16.012 ( 1.394 0.000 0.000) 1.394 16.040 ( 3.324 0.000 0.000) 3.324 16.045 ( 2.166 0.000 0.000) 2.166 16.103 ( -4.114 0.000 0.000) 4.114 16.238 ( 1.568 0.000 0.000) 1.568 16.329 ( 12.965 0.000 0.000) 12.965 16.379 ( -5.745 0.000 0.000) 5.745 16.456 ( 2.180 0.000 0.000) 2.180 16.494 ( 1.456 0.000 0.000) 1.456 16.601 ( -4.656 0.000 0.000) 4.656 16.637 ( -3.395 0.000 0.000) 3.395 16.655 ( 5.170 0.000 0.000) 5.170 16.809 ( 0.855 0.000 0.000) 0.855 16.812 ( -2.367 0.000 0.000) 2.367 16.871 ( -10.061 0.000 0.000) 10.061 16.946 ( -2.871 0.000 0.000) 2.871 17.030 ( -5.606 0.000 0.000) 5.606 17.069 ( -6.832 0.000 0.000) 6.832 17.071 ( -2.640 0.000 0.000) 2.640 17.168 ( -7.197 0.000 0.000) 7.197 17.366 ( 0.657 0.000 0.000) 0.657 17.367 ( 0.461 0.000 0.000) 0.461 17.386 ( -0.206 0.000 0.000) 0.206 17.399 ( -0.793 0.000 0.000) 0.793 17.662 ( -0.178 0.000 0.000) 0.178 17.695 ( -0.414 0.000 0.000) 0.414 17.709 ( -2.895 0.000 0.000) 2.895 17.747 ( -4.195 0.000 0.000) 4.195 18.014 ( 0.847 0.000 0.000) 0.847 18.117 ( 1.218 0.000 0.000) 1.218 18.211 ( 1.284 0.000 0.000) 1.284 18.214 ( -5.815 0.000 0.000) 5.815 18.242 ( -1.636 0.000 0.000) 1.636 18.302 ( -3.048 0.000 0.000) 3.048 18.321 ( 0.242 0.000 0.000) 0.242 18.398 ( 4.696 0.000 0.000) 4.696 18.399 ( -3.132 0.000 0.000) 3.132 18.430 ( 1.798 0.000 0.000) 1.798 18.462 ( 0.143 0.000 0.000) 0.143 18.561 ( -2.879 0.000 0.000) 2.879 18.696 ( -1.027 0.000 0.000) 1.027 18.716 ( -1.707 0.000 0.000) 1.707 18.753 ( -1.663 0.000 0.000) 1.663 18.771 ( -2.231 0.000 0.000) 2.231 ======================= Grid point 5 (6/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -30.137 0.000 0.000) 30.137 3.265 ( 30.137 0.000 0.000) 30.137 3.846 ( -30.989 0.000 0.000) 30.989 3.846 ( 30.989 0.000 0.000) 30.989 4.271 ( -14.916 0.000 0.000) 14.916 4.271 ( 14.916 0.000 0.000) 14.916 4.308 ( -16.779 0.000 0.000) 16.779 4.308 ( 16.779 0.000 0.000) 16.779 4.707 ( -20.193 0.000 0.000) 20.193 4.707 ( 20.193 0.000 0.000) 20.193 4.748 ( -20.370 0.000 0.000) 20.370 4.748 ( 20.370 0.000 0.000) 20.370 5.321 ( -15.686 0.000 0.000) 15.686 5.321 ( 15.686 0.000 0.000) 15.686 5.652 ( -4.758 0.000 0.000) 4.758 5.652 ( 4.758 0.000 0.000) 4.758 5.961 ( -8.863 0.000 0.000) 8.863 5.961 ( 8.863 0.000 0.000) 8.863 5.987 ( -5.853 0.000 0.000) 5.853 5.987 ( 5.853 0.000 0.000) 5.853 6.401 ( -41.761 0.000 0.000) 41.761 6.401 ( 41.761 0.000 0.000) 41.761 6.454 ( -1.050 0.000 0.000) 1.050 6.454 ( 1.050 0.000 0.000) 1.050 6.696 ( -17.111 0.000 0.000) 17.111 6.696 ( 17.111 0.000 0.000) 17.111 7.016 ( -12.391 0.000 0.000) 12.391 7.016 ( 12.391 0.000 0.000) 12.391 7.170 ( -13.166 0.000 0.000) 13.166 7.170 ( 13.166 0.000 0.000) 13.166 7.190 ( -24.435 0.000 0.000) 24.435 7.190 ( 24.435 0.000 0.000) 24.435 7.618 ( -4.099 0.000 0.000) 4.099 7.618 ( 4.099 0.000 0.000) 4.099 7.767 ( -4.781 0.000 0.000) 4.781 7.767 ( 4.781 0.000 0.000) 4.781 7.999 ( -8.436 0.000 0.000) 8.436 7.999 ( 8.436 0.000 0.000) 8.436 8.018 ( -2.590 0.000 0.000) 2.590 8.018 ( 2.590 0.000 0.000) 2.590 8.367 ( -2.557 0.000 0.000) 2.557 8.367 ( 2.557 0.000 0.000) 2.557 8.612 ( -0.015 0.000 0.000) 0.015 8.612 ( 0.015 0.000 0.000) 0.015 8.680 ( -8.903 0.000 0.000) 8.903 8.680 ( 8.903 0.000 0.000) 8.903 8.764 ( -0.545 0.000 0.000) 0.545 8.764 ( 0.545 0.000 0.000) 0.545 13.055 ( -6.495 0.000 0.000) 6.495 13.055 ( 6.495 0.000 0.000) 6.495 13.200 ( -6.703 0.000 0.000) 6.703 13.200 ( 6.703 0.000 0.000) 6.703 13.218 ( -0.865 0.000 0.000) 0.865 13.218 ( 0.865 0.000 0.000) 0.865 13.438 ( -1.551 0.000 0.000) 1.551 13.438 ( 1.551 0.000 0.000) 1.551 13.844 ( -13.589 0.000 0.000) 13.589 13.844 ( 13.589 0.000 0.000) 13.589 13.912 ( -9.496 0.000 0.000) 9.496 13.912 ( 9.496 0.000 0.000) 9.496 14.069 ( -6.168 0.000 0.000) 6.168 14.069 ( 6.168 0.000 0.000) 6.168 14.222 ( -0.315 0.000 0.000) 0.315 14.222 ( 0.315 0.000 0.000) 0.315 14.320 ( -7.504 0.000 0.000) 7.504 14.320 ( 7.504 0.000 0.000) 7.504 14.713 ( -3.626 0.000 0.000) 3.626 14.713 ( 3.626 0.000 0.000) 3.626 14.883 ( -0.705 0.000 0.000) 0.705 14.883 ( 0.705 0.000 0.000) 0.705 14.971 ( -0.257 0.000 0.000) 0.257 14.971 ( 0.257 0.000 0.000) 0.257 15.640 ( -5.631 0.000 0.000) 5.631 15.640 ( 5.631 0.000 0.000) 5.631 15.824 ( -9.960 0.000 0.000) 9.960 15.824 ( 9.960 0.000 0.000) 9.960 16.046 ( -2.123 0.000 0.000) 2.123 16.046 ( 2.123 0.000 0.000) 2.123 16.074 ( -0.218 0.000 0.000) 0.218 16.074 ( 0.218 0.000 0.000) 0.218 16.285 ( -3.488 0.000 0.000) 3.488 16.285 ( 3.488 0.000 0.000) 3.488 16.516 ( -3.776 0.000 0.000) 3.776 16.516 ( 3.776 0.000 0.000) 3.776 16.564 ( -4.322 0.000 0.000) 4.322 16.564 ( 4.322 0.000 0.000) 4.322 16.620 ( -15.107 0.000 0.000) 15.107 16.620 ( 15.107 0.000 0.000) 15.107 16.752 ( -4.150 0.000 0.000) 4.150 16.752 ( 4.150 0.000 0.000) 4.150 16.873 ( -5.315 0.000 0.000) 5.315 16.873 ( 5.315 0.000 0.000) 5.315 16.975 ( -1.935 0.000 0.000) 1.935 16.975 ( 1.935 0.000 0.000) 1.935 17.061 ( -2.567 0.000 0.000) 2.567 17.061 ( 2.567 0.000 0.000) 2.567 17.378 ( -0.575 0.000 0.000) 0.575 17.378 ( 0.575 0.000 0.000) 0.575 17.382 ( -0.921 0.000 0.000) 0.921 17.382 ( 0.921 0.000 0.000) 0.921 17.668 ( -1.095 0.000 0.000) 1.095 17.668 ( 1.095 0.000 0.000) 1.095 17.697 ( -0.999 0.000 0.000) 0.999 17.697 ( 0.999 0.000 0.000) 0.999 18.060 ( -3.938 0.000 0.000) 3.938 18.060 ( 3.938 0.000 0.000) 3.938 18.205 ( -2.044 0.000 0.000) 2.044 18.205 ( 2.044 0.000 0.000) 2.044 18.240 ( -2.420 0.000 0.000) 2.420 18.240 ( 2.420 0.000 0.000) 2.420 18.353 ( -2.172 0.000 0.000) 2.172 18.353 ( 2.172 0.000 0.000) 2.172 18.459 ( -0.743 0.000 0.000) 0.743 18.459 ( 0.743 0.000 0.000) 0.743 18.490 ( -4.338 0.000 0.000) 4.338 18.490 ( 4.338 0.000 0.000) 4.338 18.692 ( -0.594 0.000 0.000) 0.594 18.692 ( 0.594 0.000 0.000) 0.594 18.743 ( -0.549 0.000 0.000) 0.549 18.743 ( 0.549 0.000 0.000) 0.549 ======================= Grid point 11 (7/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.698 ( 0.000 34.152 0.000) 34.152 0.856 ( 0.000 41.519 0.000) 41.519 1.268 ( 0.000 61.126 0.000) 61.126 2.402 ( 0.000 20.154 0.000) 20.154 2.539 ( 0.000 13.972 0.000) 13.972 2.610 ( 0.000 16.741 0.000) 16.741 2.673 ( 0.000 13.929 0.000) 13.929 4.080 ( 0.000 13.540 0.000) 13.540 4.375 ( 0.000 5.132 0.000) 5.132 4.645 ( 0.000 8.546 0.000) 8.546 4.710 ( 0.000 3.382 0.000) 3.382 5.154 ( 0.000 -5.149 0.000) 5.149 5.309 ( 0.000 -13.510 0.000) 13.510 5.437 ( 0.000 -11.609 0.000) 11.609 5.726 ( 0.000 6.079 0.000) 6.079 5.787 ( 0.000 0.463 0.000) 0.463 5.877 ( 0.000 -9.532 0.000) 9.532 5.903 ( 0.000 -17.176 0.000) 17.176 6.013 ( 0.000 -11.434 0.000) 11.434 6.066 ( 0.000 -9.142 0.000) 9.142 6.204 ( 0.000 3.401 0.000) 3.401 6.388 ( 0.000 1.881 0.000) 1.881 6.515 ( 0.000 -3.145 0.000) 3.145 6.582 ( 0.000 10.945 0.000) 10.945 6.723 ( 0.000 -6.597 0.000) 6.597 6.812 ( 0.000 4.056 0.000) 4.056 6.831 ( 0.000 -17.069 0.000) 17.069 6.921 ( 0.000 2.885 0.000) 2.885 7.155 ( 0.000 -2.060 0.000) 2.060 7.513 ( 0.000 8.112 0.000) 8.112 7.587 ( 0.000 4.678 0.000) 4.678 7.614 ( 0.000 5.243 0.000) 5.243 7.732 ( 0.000 1.954 0.000) 1.954 7.755 ( 0.000 2.521 0.000) 2.521 8.007 ( 0.000 -2.748 0.000) 2.748 8.024 ( 0.000 -2.959 0.000) 2.959 8.133 ( 0.000 2.610 0.000) 2.610 8.197 ( 0.000 3.435 0.000) 3.435 8.231 ( 0.000 0.602 0.000) 0.602 8.443 ( 0.000 -5.628 0.000) 5.628 8.555 ( 0.000 0.037 0.000) 0.037 8.871 ( 0.000 -5.188 0.000) 5.188 8.943 ( 0.000 -2.286 0.000) 2.286 8.966 ( 0.000 -6.135 0.000) 6.135 8.971 ( 0.000 -6.374 0.000) 6.374 9.028 ( 0.000 -4.132 0.000) 4.132 9.292 ( 0.000 -2.514 0.000) 2.514 9.373 ( 0.000 -5.228 0.000) 5.228 12.584 ( 0.000 3.440 0.000) 3.440 12.651 ( 0.000 2.735 0.000) 2.735 12.671 ( 0.000 3.686 0.000) 3.686 12.796 ( 0.000 3.660 0.000) 3.660 12.807 ( 0.000 4.595 0.000) 4.595 12.892 ( 0.000 5.399 0.000) 5.399 12.906 ( 0.000 1.117 0.000) 1.117 13.150 ( 0.000 -0.179 0.000) 0.179 13.166 ( 0.000 1.674 0.000) 1.674 13.310 ( 0.000 6.565 0.000) 6.565 13.363 ( 0.000 -1.196 0.000) 1.196 13.505 ( 0.000 -0.956 0.000) 0.956 13.505 ( 0.000 4.830 0.000) 4.830 13.938 ( 0.000 -1.075 0.000) 1.075 14.060 ( 0.000 -0.572 0.000) 0.572 14.144 ( 0.000 -3.004 0.000) 3.004 14.286 ( 0.000 4.772 0.000) 4.772 14.395 ( 0.000 1.309 0.000) 1.309 14.448 ( 0.000 2.838 0.000) 2.838 14.469 ( 0.000 -3.080 0.000) 3.080 14.819 ( 0.000 -5.891 0.000) 5.891 14.826 ( 0.000 -1.078 0.000) 1.078 14.935 ( 0.000 -0.620 0.000) 0.620 15.098 ( 0.000 -0.227 0.000) 0.227 15.548 ( 0.000 -1.373 0.000) 1.373 15.951 ( 0.000 -3.979 0.000) 3.979 16.057 ( 0.000 -1.598 0.000) 1.598 16.082 ( 0.000 -2.022 0.000) 2.022 16.094 ( 0.000 -0.042 0.000) 0.042 16.149 ( 0.000 5.995 0.000) 5.995 16.165 ( 0.000 0.996 0.000) 0.996 16.172 ( 0.000 5.696 0.000) 5.696 16.232 ( 0.000 -1.562 0.000) 1.562 16.345 ( 0.000 -1.466 0.000) 1.466 16.473 ( 0.000 4.215 0.000) 4.215 16.491 ( 0.000 0.739 0.000) 0.739 16.734 ( 0.000 -1.772 0.000) 1.772 16.763 ( 0.000 -1.864 0.000) 1.864 16.785 ( 0.000 -6.204 0.000) 6.204 16.854 ( 0.000 -0.587 0.000) 0.587 16.903 ( 0.000 -0.287 0.000) 0.287 16.934 ( 0.000 1.502 0.000) 1.502 17.062 ( 0.000 -2.973 0.000) 2.973 17.120 ( 0.000 -1.730 0.000) 1.730 17.160 ( 0.000 -3.020 0.000) 3.020 17.270 ( 0.000 3.587 0.000) 3.587 17.298 ( 0.000 -4.992 0.000) 4.992 17.344 ( 0.000 -0.662 0.000) 0.662 17.380 ( 0.000 -2.315 0.000) 2.315 17.438 ( 0.000 1.888 0.000) 1.888 17.583 ( 0.000 -2.269 0.000) 2.269 17.587 ( 0.000 2.684 0.000) 2.684 17.631 ( 0.000 3.310 0.000) 3.310 17.647 ( 0.000 -2.418 0.000) 2.418 17.769 ( 0.000 -0.039 0.000) 0.039 17.777 ( 0.000 -1.386 0.000) 1.386 17.848 ( 0.000 -7.194 0.000) 7.194 18.007 ( 0.000 -1.142 0.000) 1.142 18.029 ( 0.000 -5.203 0.000) 5.203 18.074 ( 0.000 -4.021 0.000) 4.021 18.170 ( 0.000 2.147 0.000) 2.147 18.218 ( 0.000 1.653 0.000) 1.653 18.272 ( 0.000 1.632 0.000) 1.632 18.617 ( 0.000 0.323 0.000) 0.323 18.650 ( 0.000 3.431 0.000) 3.431 18.705 ( 0.000 -2.652 0.000) 2.652 18.765 ( 0.000 -0.105 0.000) 0.105 18.803 ( 0.000 -0.126 0.000) 0.126 18.895 ( 0.000 2.375 0.000) 2.375 18.926 ( 0.000 4.346 0.000) 4.346 18.970 ( 0.000 1.014 0.000) 1.014 19.005 ( 0.000 2.253 0.000) 2.253 ======================= Grid point 12 (8/60) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 22.895 25.243 0.000) 34.079 1.252 ( 30.707 31.347 0.000) 43.881 1.797 ( 48.431 39.030 0.000) 62.200 2.527 ( 12.736 18.098 0.000) 22.130 2.717 ( 17.097 12.766 0.000) 21.337 2.742 ( 12.954 14.588 0.000) 19.509 2.785 ( 11.426 13.130 0.000) 17.405 4.150 ( 7.067 12.008 0.000) 13.933 4.479 ( 10.117 5.055 0.000) 11.310 4.778 ( 13.223 8.409 0.000) 15.670 4.805 ( 9.391 3.361 0.000) 9.974 5.044 ( -9.734 -3.265 0.000) 10.267 5.290 ( -2.414 -11.458 0.000) 11.709 5.482 ( 1.038 -11.259 0.000) 11.306 5.654 ( -6.639 6.484 0.000) 9.280 5.657 ( -6.238 -0.057 0.000) 6.238 5.844 ( -3.626 -17.464 0.000) 17.837 5.870 ( -4.944 -7.835 0.000) 9.265 6.045 ( 4.457 -6.503 0.000) 7.884 6.073 ( -1.536 -6.601 0.000) 6.777 6.208 ( 0.399 0.336 0.000) 0.522 6.373 ( -9.189 0.923 0.000) 9.235 6.404 ( -0.736 -0.332 0.000) 0.808 6.655 ( -4.255 -6.667 0.000) 7.909 6.677 ( -1.125 -0.060 0.000) 1.126 6.825 ( -1.063 -15.347 0.000) 15.384 6.871 ( 8.828 4.734 0.000) 10.017 6.912 ( -1.477 3.902 0.000) 4.172 7.199 ( 4.448 -2.226 0.000) 4.974 7.490 ( -8.377 3.910 0.000) 9.244 7.505 ( -3.201 7.682 0.000) 8.322 7.554 ( -2.075 4.052 0.000) 4.553 7.764 ( 0.674 0.618 0.000) 0.914 7.788 ( 5.667 2.743 0.000) 6.296 7.996 ( -3.255 -2.729 0.000) 4.248 8.006 ( -0.383 -2.552 0.000) 2.580 8.100 ( -9.024 3.569 0.000) 9.704 8.189 ( 5.057 3.422 0.000) 6.106 8.296 ( 5.384 1.139 0.000) 5.503 8.399 ( -3.849 -6.574 0.000) 7.618 8.558 ( 0.310 0.120 0.000) 0.333 8.832 ( -6.538 -5.081 0.000) 8.280 8.898 ( 0.860 -3.135 0.000) 3.250 8.918 ( -5.520 -6.445 0.000) 8.486 8.966 ( -2.775 -3.330 0.000) 4.335 8.985 ( -4.497 -3.581 0.000) 5.749 9.167 ( -12.525 -2.145 0.000) 12.707 9.344 ( -2.993 -4.660 0.000) 5.539 12.602 ( 1.871 3.514 0.000) 3.981 12.716 ( 5.728 2.291 0.000) 6.169 12.721 ( 4.768 3.188 0.000) 5.736 12.814 ( 1.533 4.504 0.000) 4.758 12.847 ( 4.484 3.944 0.000) 5.972 12.925 ( 3.875 5.440 0.000) 6.679 12.952 ( 4.668 1.121 0.000) 4.800 13.171 ( 2.947 1.390 0.000) 3.259 13.214 ( 4.781 1.767 0.000) 5.097 13.368 ( 5.881 5.169 0.000) 7.830 13.389 ( 2.335 -1.271 0.000) 2.659 13.538 ( 3.942 5.202 0.000) 6.527 13.584 ( 7.485 -0.493 0.000) 7.501 13.937 ( 0.683 -0.756 0.000) 1.019 14.136 ( 6.544 -0.814 0.000) 6.595 14.147 ( 0.178 -2.969 0.000) 2.975 14.285 ( 0.306 3.767 0.000) 3.780 14.436 ( 3.963 1.238 0.000) 4.152 14.473 ( 3.361 -0.274 0.000) 3.373 14.529 ( 4.770 0.832 0.000) 4.842 14.821 ( 0.138 -5.577 0.000) 5.578 14.845 ( 0.174 -2.455 0.000) 2.461 14.929 ( -0.476 -0.413 0.000) 0.630 15.097 ( -0.258 -0.218 0.000) 0.337 15.557 ( 0.969 -1.512 0.000) 1.796 15.917 ( -3.475 -3.161 0.000) 4.697 15.957 ( -11.037 1.396 0.000) 11.124 16.037 ( -1.906 -1.646 0.000) 2.518 16.054 ( -3.511 0.073 0.000) 3.512 16.092 ( -1.130 0.367 0.000) 1.188 16.125 ( -4.245 4.676 0.000) 6.316 16.177 ( 0.450 -0.432 0.000) 0.624 16.326 ( 3.206 -0.227 0.000) 3.214 16.389 ( 4.265 -0.885 0.000) 4.356 16.453 ( -3.754 0.386 0.000) 3.774 16.455 ( -1.661 4.342 0.000) 4.648 16.656 ( -4.829 -1.378 0.000) 5.022 16.726 ( -4.857 -1.072 0.000) 4.974 16.808 ( 1.667 -2.341 0.000) 2.874 16.835 ( -1.597 -2.645 0.000) 3.090 16.870 ( -4.041 -0.697 0.000) 4.101 16.914 ( -1.175 0.227 0.000) 1.196 17.052 ( -0.374 -2.029 0.000) 2.063 17.116 ( -0.630 -2.115 0.000) 2.207 17.197 ( 1.991 -2.429 0.000) 3.140 17.244 ( -2.139 2.949 0.000) 3.644 17.293 ( -0.573 -5.102 0.000) 5.134 17.320 ( -2.330 -1.920 0.000) 3.019 17.371 ( -1.046 -2.601 0.000) 2.804 17.439 ( -0.005 2.207 0.000) 2.207 17.514 ( -4.671 1.071 0.000) 4.793 17.550 ( -3.695 2.521 0.000) 4.473 17.650 ( 0.958 0.653 0.000) 1.159 17.666 ( 1.473 -1.479 0.000) 2.088 17.766 ( -0.295 -1.214 0.000) 1.250 17.799 ( 1.524 -2.780 0.000) 3.170 17.881 ( 2.904 -5.917 0.000) 6.591 17.987 ( -0.560 0.659 0.000) 0.865 18.039 ( 1.096 -5.885 0.000) 5.986 18.089 ( 1.514 -4.893 0.000) 5.122 18.141 ( -1.017 1.821 0.000) 2.086 18.277 ( 3.774 2.266 0.000) 4.402 18.277 ( 1.145 1.297 0.000) 1.730 18.608 ( -3.693 3.364 0.000) 4.995 18.650 ( 1.398 -0.601 0.000) 1.522 18.692 ( -1.704 -2.380 0.000) 2.927 18.768 ( -0.463 -0.129 0.000) 0.481 18.771 ( -3.195 -0.370 0.000) 3.216 18.836 ( -5.453 2.927 0.000) 6.189 18.884 ( -4.954 3.860 0.000) 6.280 18.946 ( -1.290 1.886 0.000) 2.285 18.986 ( -1.942 2.451 0.000) 3.128 ======================= Grid point 13 (9/60) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 30.495 16.948 0.000) 34.888 1.911 ( 35.822 22.194 0.000) 42.140 2.844 ( 35.587 15.690 0.000) 38.892 2.910 ( 43.973 16.514 0.000) 46.972 3.061 ( 18.906 8.387 0.000) 20.683 3.123 ( 22.724 12.711 0.000) 26.037 3.157 ( 28.052 10.888 0.000) 30.091 4.346 ( 12.537 9.175 0.000) 15.535 4.733 ( 14.403 1.821 0.000) 14.517 4.764 ( -15.715 -1.524 0.000) 15.789 5.074 ( 11.239 5.208 0.000) 12.387 5.125 ( 20.188 6.877 0.000) 21.328 5.197 ( -5.880 -2.921 0.000) 6.566 5.386 ( -4.232 -1.245 0.000) 4.411 5.493 ( -9.887 5.075 0.000) 11.114 5.630 ( -1.443 -4.079 0.000) 4.327 5.806 ( -0.140 -15.337 0.000) 15.338 5.835 ( 4.583 -6.550 0.000) 7.995 6.001 ( -4.591 -4.956 0.000) 6.756 6.039 ( -10.842 -4.739 0.000) 11.833 6.180 ( -1.357 -3.277 0.000) 3.547 6.247 ( -13.848 -2.285 0.000) 14.035 6.258 ( 0.227 0.482 0.000) 0.532 6.555 ( -9.398 -0.041 0.000) 9.398 6.633 ( -0.581 -1.637 0.000) 1.737 6.761 ( -5.543 -12.042 0.000) 13.257 6.882 ( -0.619 0.977 0.000) 1.157 7.071 ( 8.589 -2.036 0.000) 8.827 7.318 ( 5.297 -2.155 0.000) 5.718 7.337 ( -3.567 0.849 0.000) 3.667 7.416 ( -2.472 5.740 0.000) 6.249 7.591 ( 4.117 2.083 0.000) 4.614 7.723 ( -8.992 -0.055 0.000) 8.993 7.864 ( -7.221 -1.638 0.000) 7.404 7.885 ( -6.711 -0.526 0.000) 6.732 7.964 ( 9.304 3.816 0.000) 10.056 8.025 ( 0.430 -0.352 0.000) 0.555 8.286 ( 3.945 3.298 0.000) 5.142 8.314 ( -4.652 -7.384 0.000) 8.727 8.390 ( 2.980 1.816 0.000) 3.490 8.563 ( -0.305 -0.006 0.000) 0.305 8.681 ( -8.714 -4.327 0.000) 9.729 8.731 ( -16.596 -6.045 0.000) 17.663 8.830 ( -15.189 -1.918 0.000) 15.310 8.851 ( -8.353 -1.948 0.000) 8.578 8.871 ( -9.612 -1.262 0.000) 9.694 8.922 ( 0.787 -1.023 0.000) 1.291 9.260 ( -5.503 -2.953 0.000) 6.245 12.662 ( 4.446 3.517 0.000) 5.669 12.822 ( 4.634 2.294 0.000) 5.171 12.846 ( 7.899 2.942 0.000) 8.429 12.881 ( 5.657 4.846 0.000) 7.449 12.969 ( 7.533 3.637 0.000) 8.365 13.061 ( 9.747 4.251 0.000) 10.634 13.083 ( 8.500 0.752 0.000) 8.533 13.258 ( 5.328 2.049 0.000) 5.708 13.341 ( 7.833 1.717 0.000) 8.019 13.437 ( 2.305 -1.242 0.000) 2.619 13.524 ( 9.564 2.937 0.000) 10.005 13.661 ( 8.345 4.370 0.000) 9.420 13.765 ( 10.412 0.130 0.000) 10.413 13.973 ( 2.752 -0.325 0.000) 2.771 14.153 ( 0.461 -2.362 0.000) 2.406 14.273 ( 6.375 -0.848 0.000) 6.431 14.299 ( 0.793 1.455 0.000) 1.657 14.532 ( 5.363 1.011 0.000) 5.457 14.572 ( 6.367 -0.503 0.000) 6.387 14.637 ( 5.991 2.069 0.000) 6.338 14.814 ( -3.105 -1.150 0.000) 3.311 14.823 ( 0.153 -4.299 0.000) 4.301 14.925 ( 0.279 -0.436 0.000) 0.518 15.077 ( -2.100 -0.021 0.000) 2.101 15.581 ( 0.761 -2.375 0.000) 2.494 15.764 ( -6.667 3.437 0.000) 7.501 15.814 ( -6.970 -0.130 0.000) 6.972 15.990 ( -2.790 -1.667 0.000) 3.250 15.996 ( -1.743 -1.789 0.000) 2.498 16.047 ( -2.718 1.328 0.000) 3.025 16.057 ( -2.159 0.509 0.000) 2.218 16.175 ( -0.492 -0.194 0.000) 0.529 16.346 ( -2.085 0.888 0.000) 2.266 16.354 ( -6.067 0.235 0.000) 6.072 16.410 ( -0.246 2.078 0.000) 2.093 16.480 ( 3.218 -0.445 0.000) 3.249 16.573 ( -3.286 -0.459 0.000) 3.318 16.621 ( -5.792 0.773 0.000) 5.843 16.764 ( -5.798 -2.138 0.000) 6.179 16.800 ( -2.476 -0.283 0.000) 2.492 16.817 ( -0.607 -2.565 0.000) 2.636 16.881 ( -2.204 -1.610 0.000) 2.729 17.040 ( -1.182 -1.547 0.000) 1.947 17.083 ( -3.106 -2.995 0.000) 4.315 17.197 ( -1.698 2.345 0.000) 2.896 17.199 ( -3.287 -0.440 0.000) 3.316 17.269 ( -2.212 -4.662 0.000) 5.161 17.278 ( -1.050 -4.544 0.000) 4.664 17.330 ( -3.349 -3.347 0.000) 4.735 17.422 ( -4.373 1.293 0.000) 4.560 17.431 ( -0.767 2.297 0.000) 2.422 17.490 ( -2.070 3.088 0.000) 3.717 17.657 ( -0.190 -0.295 0.000) 0.351 17.685 ( 0.217 -0.883 0.000) 0.909 17.760 ( -0.449 -2.651 0.000) 2.689 17.821 ( 0.470 -3.627 0.000) 3.657 17.935 ( 2.071 -5.088 0.000) 5.493 17.998 ( 1.411 -0.736 0.000) 1.592 18.075 ( 2.507 -6.246 0.000) 6.730 18.130 ( 2.476 -6.329 0.000) 6.796 18.144 ( 1.163 0.984 0.000) 1.524 18.314 ( 2.303 0.471 0.000) 2.351 18.336 ( 1.993 2.036 0.000) 2.849 18.527 ( -4.266 3.370 0.000) 5.437 18.612 ( -5.348 -3.358 0.000) 6.315 18.645 ( -5.824 -0.296 0.000) 5.832 18.666 ( -8.599 3.347 0.000) 9.228 18.697 ( -1.945 4.213 0.000) 4.640 18.778 ( -0.997 1.213 0.000) 1.570 18.782 ( -4.057 3.089 0.000) 5.099 18.910 ( -2.512 2.681 0.000) 3.674 18.936 ( -2.981 2.967 0.000) 4.206 ======================= Grid point 14 (10/60) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 32.863 12.971 0.000) 35.330 2.616 ( 36.056 15.330 0.000) 39.179 3.328 ( 24.646 9.807 0.000) 26.525 3.464 ( 21.875 4.555 0.000) 22.345 3.623 ( 27.615 9.860 0.000) 29.323 3.645 ( 28.037 5.158 0.000) 28.508 4.107 ( 59.127 11.298 0.000) 60.197 4.410 ( -19.565 2.250 0.000) 19.694 4.591 ( 8.599 6.103 0.000) 10.545 4.857 ( -3.443 -5.847 0.000) 6.785 5.019 ( -11.551 4.204 0.000) 12.292 5.216 ( 7.363 7.531 0.000) 10.532 5.244 ( -7.694 2.918 0.000) 8.228 5.458 ( 2.385 5.734 0.000) 6.210 5.564 ( 1.174 0.512 0.000) 1.281 5.577 ( 6.117 0.314 0.000) 6.125 5.728 ( -15.335 0.526 0.000) 15.344 5.799 ( -0.300 -8.932 0.000) 8.937 5.978 ( -6.592 -3.153 0.000) 7.307 6.013 ( 6.464 -2.687 0.000) 7.000 6.015 ( 11.570 -9.157 0.000) 14.755 6.176 ( 2.542 -2.699 0.000) 3.707 6.309 ( 4.421 -2.744 0.000) 5.204 6.351 ( -10.408 -0.227 0.000) 10.410 6.604 ( -0.470 0.861 0.000) 0.981 6.612 ( -9.589 -6.203 0.000) 11.420 6.859 ( -2.645 -1.282 0.000) 2.939 7.173 ( 2.730 -7.733 0.000) 8.201 7.303 ( 1.359 -3.655 0.000) 3.899 7.400 ( -12.514 -0.170 0.000) 12.516 7.433 ( 1.528 1.788 0.000) 2.352 7.510 ( 4.199 -2.022 0.000) 4.660 7.632 ( -4.484 -3.082 0.000) 5.441 7.737 ( 1.121 -0.043 0.000) 1.122 7.825 ( -2.666 -5.591 0.000) 6.194 8.041 ( 0.993 0.486 0.000) 1.105 8.176 ( 3.921 -1.873 0.000) 4.346 8.185 ( -33.430 -2.492 0.000) 33.523 8.236 ( 3.118 0.855 0.000) 3.233 8.299 ( -4.942 1.716 0.000) 5.231 8.318 ( -13.469 2.007 0.000) 13.617 8.498 ( -7.905 1.242 0.000) 8.002 8.554 ( -3.112 -2.838 0.000) 4.212 8.660 ( -0.970 2.032 0.000) 2.252 8.691 ( -6.599 -2.177 0.000) 6.949 8.715 ( -6.808 -0.154 0.000) 6.810 8.918 ( -1.436 0.795 0.000) 1.642 9.132 ( -7.693 -0.619 0.000) 7.717 12.776 ( 7.098 3.211 0.000) 7.790 12.924 ( 6.174 2.406 0.000) 6.626 13.015 ( 8.464 3.383 0.000) 9.115 13.015 ( 8.301 3.586 0.000) 9.042 13.110 ( 5.891 3.022 0.000) 6.621 13.254 ( 6.950 -1.298 0.000) 7.070 13.260 ( 9.483 2.690 0.000) 9.857 13.369 ( 7.193 4.291 0.000) 8.375 13.472 ( 1.231 -0.943 0.000) 1.551 13.510 ( 9.627 1.631 0.000) 9.764 13.721 ( 10.164 1.281 0.000) 10.244 13.845 ( 9.909 3.139 0.000) 10.394 13.970 ( 10.062 0.466 0.000) 10.073 14.032 ( 3.143 0.353 0.000) 3.163 14.159 ( -0.099 -1.603 0.000) 1.606 14.296 ( -1.480 0.349 0.000) 1.521 14.337 ( -0.596 -0.044 0.000) 0.597 14.625 ( 3.836 0.891 0.000) 3.938 14.662 ( -3.167 -0.413 0.000) 3.194 14.729 ( 4.952 0.646 0.000) 4.994 14.785 ( 3.404 0.957 0.000) 3.536 14.834 ( 1.083 -2.843 0.000) 3.042 14.938 ( 0.830 -0.646 0.000) 1.051 15.011 ( -4.255 0.445 0.000) 4.278 15.557 ( -1.003 -1.762 0.000) 2.028 15.672 ( -6.684 1.759 0.000) 6.912 15.758 ( 3.372 2.550 0.000) 4.228 15.964 ( 0.926 -1.731 0.000) 1.963 15.980 ( -0.125 -2.348 0.000) 2.352 16.020 ( -1.398 0.386 0.000) 1.450 16.039 ( 1.140 -0.788 0.000) 1.386 16.171 ( 1.115 -0.459 0.000) 1.206 16.236 ( -5.424 1.586 0.000) 5.651 16.277 ( -3.267 2.266 0.000) 3.976 16.422 ( 0.877 -0.272 0.000) 0.918 16.500 ( -1.501 -1.171 0.000) 1.904 16.503 ( -6.175 0.634 0.000) 6.207 16.568 ( 3.317 0.600 0.000) 3.371 16.651 ( -5.608 -2.598 0.000) 6.181 16.746 ( -2.989 1.559 0.000) 3.371 16.798 ( -0.877 -2.198 0.000) 2.366 16.835 ( -2.310 -1.985 0.000) 3.046 16.990 ( -6.315 -3.380 0.000) 7.163 16.997 ( -3.349 -1.579 0.000) 3.703 17.112 ( -4.905 -0.773 0.000) 4.965 17.148 ( -3.529 1.266 0.000) 3.749 17.185 ( -6.711 -2.470 0.000) 7.151 17.249 ( -4.631 -4.079 0.000) 6.172 17.277 ( 0.547 -4.708 0.000) 4.740 17.362 ( -1.799 -0.833 0.000) 1.983 17.416 ( -0.556 1.941 0.000) 2.019 17.464 ( -0.882 2.844 0.000) 2.977 17.648 ( -0.620 -1.504 0.000) 1.627 17.675 ( -1.092 -2.257 0.000) 2.508 17.740 ( -1.744 -2.273 0.000) 2.865 17.799 ( -3.135 -2.763 0.000) 4.179 17.964 ( 1.430 -3.859 0.000) 4.116 18.035 ( 2.177 -2.719 0.000) 3.483 18.125 ( 2.146 -5.352 0.000) 5.766 18.174 ( 1.663 -6.774 0.000) 6.975 18.178 ( 2.035 -1.868 0.000) 2.762 18.334 ( -2.802 -1.358 0.000) 3.113 18.354 ( 1.385 -1.421 0.000) 1.984 18.456 ( -2.111 5.563 0.000) 5.950 18.469 ( -9.249 1.849 0.000) 9.432 18.491 ( -6.939 -1.514 0.000) 7.103 18.537 ( -3.392 5.027 0.000) 6.064 18.675 ( -1.699 4.145 0.000) 4.480 18.742 ( -0.265 3.774 0.000) 3.783 18.758 ( -0.935 1.677 0.000) 1.920 18.855 ( -2.983 3.433 0.000) 4.548 18.877 ( -2.841 3.686 0.000) 4.653 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 32.435 10.566 0.000) 34.112 3.298 ( 33.613 10.289 0.000) 35.152 3.727 ( 5.785 5.696 0.000) 8.118 3.886 ( 20.545 1.440 0.000) 20.595 4.041 ( -7.551 4.191 0.000) 8.636 4.166 ( 27.133 7.709 0.000) 28.207 4.171 ( 25.458 5.110 0.000) 25.965 4.411 ( -21.040 2.286 0.000) 21.163 4.760 ( -12.829 5.073 0.000) 13.795 4.887 ( -13.743 2.515 0.000) 13.971 5.036 ( 9.659 3.159 0.000) 10.162 5.194 ( -19.554 4.250 0.000) 20.010 5.210 ( 14.537 4.173 0.000) 15.124 5.278 ( 13.274 1.347 0.000) 13.343 5.571 ( 16.575 3.888 0.000) 17.025 5.572 ( 0.685 0.608 0.000) 0.916 5.665 ( -4.262 4.221 0.000) 5.998 5.774 ( -2.091 -7.410 0.000) 7.699 5.914 ( 1.184 -1.403 0.000) 1.836 6.110 ( -7.699 -3.188 0.000) 8.333 6.245 ( 1.332 -9.450 0.000) 9.543 6.326 ( 14.262 -0.713 0.000) 14.280 6.332 ( 6.347 -3.629 0.000) 7.311 6.425 ( -0.411 -2.049 0.000) 2.090 6.579 ( 23.596 0.147 0.000) 23.596 6.659 ( 5.292 -4.963 0.000) 7.255 6.855 ( 6.566 0.471 0.000) 6.583 7.033 ( -18.121 -0.505 0.000) 18.128 7.164 ( -5.552 -9.023 0.000) 10.595 7.320 ( -25.856 -3.313 0.000) 26.068 7.368 ( -4.474 -0.467 0.000) 4.499 7.465 ( -6.383 -0.932 0.000) 6.451 7.628 ( 3.951 -2.677 0.000) 4.772 7.692 ( -11.634 -8.547 0.000) 14.436 7.721 ( -0.963 -6.608 0.000) 6.678 7.747 ( -6.377 -6.422 0.000) 9.050 7.984 ( -13.852 4.092 0.000) 14.444 8.021 ( -9.701 1.836 0.000) 9.873 8.061 ( 0.863 1.252 0.000) 1.520 8.143 ( -6.027 -1.816 0.000) 6.294 8.395 ( 1.363 3.317 0.000) 3.586 8.473 ( -4.840 0.083 0.000) 4.840 8.509 ( 10.916 6.483 0.000) 12.695 8.610 ( -1.906 -2.030 0.000) 2.784 8.631 ( -2.201 0.592 0.000) 2.279 8.696 ( 3.352 2.975 0.000) 4.482 8.865 ( -3.861 2.145 0.000) 4.417 8.961 ( -9.791 1.779 0.000) 9.952 12.929 ( 8.285 2.681 0.000) 8.708 13.060 ( 7.475 1.740 0.000) 7.674 13.158 ( 2.160 2.237 0.000) 3.109 13.167 ( 3.778 3.190 0.000) 4.944 13.177 ( 6.809 2.428 0.000) 7.229 13.292 ( -2.032 -0.517 0.000) 2.097 13.400 ( 4.535 1.645 0.000) 4.824 13.465 ( -0.419 0.373 0.000) 0.561 13.594 ( 13.114 2.599 0.000) 13.369 13.718 ( 11.461 1.956 0.000) 11.627 13.905 ( 8.296 0.090 0.000) 8.296 14.002 ( 4.108 2.111 0.000) 4.619 14.047 ( -2.452 0.667 0.000) 2.541 14.138 ( -2.399 -1.097 0.000) 2.638 14.156 ( 7.454 1.018 0.000) 7.524 14.248 ( -2.184 1.372 0.000) 2.579 14.281 ( -2.070 1.709 0.000) 2.684 14.512 ( -9.522 0.841 0.000) 9.559 14.679 ( 1.904 1.086 0.000) 2.192 14.794 ( -1.016 0.341 0.000) 1.072 14.846 ( 1.429 -0.145 0.000) 1.436 14.858 ( 0.972 -2.227 0.000) 2.430 14.954 ( 0.879 -0.426 0.000) 0.977 14.960 ( 0.375 0.232 0.000) 0.441 15.591 ( -0.844 1.446 0.000) 1.674 15.599 ( 4.427 -2.972 0.000) 5.333 15.783 ( -0.585 2.411 0.000) 2.481 15.964 ( -3.788 -3.807 0.000) 5.370 15.994 ( 0.000 -0.867 0.000) 0.867 16.013 ( -2.071 0.105 0.000) 2.074 16.053 ( 5.439 0.803 0.000) 5.498 16.165 ( -1.845 3.709 0.000) 4.143 16.251 ( 0.552 1.073 0.000) 1.207 16.293 ( 9.346 -2.701 0.000) 9.729 16.395 ( -3.050 0.814 0.000) 3.157 16.444 ( 1.223 -0.922 0.000) 1.531 16.492 ( 2.238 -0.579 0.000) 2.312 16.552 ( -4.360 -2.907 0.000) 5.241 16.653 ( 4.999 -0.162 0.000) 5.002 16.683 ( -3.713 2.325 0.000) 4.380 16.797 ( 0.111 -1.697 0.000) 1.701 16.798 ( -1.637 -1.206 0.000) 2.034 16.840 ( -8.336 -2.436 0.000) 8.685 16.925 ( -3.223 -1.981 0.000) 3.783 17.016 ( -5.329 -1.255 0.000) 5.475 17.040 ( -7.190 -2.548 0.000) 7.628 17.066 ( -4.037 -0.597 0.000) 4.081 17.140 ( -6.426 -2.707 0.000) 6.973 17.293 ( 1.060 -4.084 0.000) 4.220 17.336 ( -1.116 -2.660 0.000) 2.885 17.415 ( 0.433 1.817 0.000) 1.868 17.449 ( -0.804 2.572 0.000) 2.695 17.638 ( -0.191 -2.228 0.000) 2.236 17.650 ( -1.163 -3.359 0.000) 3.554 17.697 ( -2.302 -1.783 0.000) 2.912 17.714 ( -4.394 -2.809 0.000) 5.215 18.000 ( 2.262 -1.235 0.000) 2.577 18.074 ( 1.480 -3.813 0.000) 4.090 18.146 ( 0.022 -4.283 0.000) 4.283 18.168 ( -2.805 -3.300 0.000) 4.331 18.217 ( 1.893 -3.432 0.000) 3.919 18.278 ( -1.301 -3.603 0.000) 3.830 18.304 ( -3.951 -4.833 0.000) 6.243 18.365 ( -5.330 -2.215 0.000) 5.772 18.402 ( 0.714 3.622 0.000) 3.692 18.439 ( -0.635 4.308 0.000) 4.354 18.525 ( 1.559 4.923 0.000) 5.164 18.630 ( -2.707 3.609 0.000) 4.511 18.748 ( -0.043 3.053 0.000) 3.053 18.753 ( 0.980 5.509 0.000) 5.595 18.803 ( -2.106 3.727 0.000) 4.281 18.828 ( -2.188 4.394 0.000) 4.908 ======================= Grid point 16 (12/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -28.827 8.304 0.000) 29.999 3.353 ( 28.827 8.304 0.000) 29.999 3.911 ( -28.826 6.083 0.000) 29.461 3.911 ( 28.826 6.083 0.000) 29.461 4.179 ( -2.106 -2.697 0.000) 3.422 4.179 ( 2.106 -2.697 0.000) 3.422 4.489 ( -2.943 11.005 0.000) 11.392 4.489 ( 2.943 11.005 0.000) 11.392 4.725 ( -10.773 2.486 0.000) 11.057 4.725 ( 10.773 2.486 0.000) 11.057 4.809 ( -9.920 5.091 0.000) 11.150 4.809 ( 9.920 5.091 0.000) 11.150 5.331 ( -14.004 1.013 0.000) 14.041 5.331 ( 14.004 1.013 0.000) 14.041 5.653 ( -2.637 -0.322 0.000) 2.656 5.653 ( 2.637 -0.322 0.000) 2.656 5.927 ( -9.612 -2.241 0.000) 9.870 5.927 ( 9.612 -2.241 0.000) 9.870 6.002 ( -7.206 0.223 0.000) 7.210 6.002 ( 7.206 0.223 0.000) 7.210 6.357 ( -26.713 -4.008 0.000) 27.012 6.357 ( 26.713 -4.008 0.000) 27.012 6.435 ( -17.153 -2.187 0.000) 17.292 6.435 ( 17.153 -2.187 0.000) 17.292 6.672 ( -17.421 -2.014 0.000) 17.537 6.672 ( 17.421 -2.014 0.000) 17.537 6.902 ( -2.501 -7.758 0.000) 8.151 6.902 ( 2.501 -7.758 0.000) 8.151 7.176 ( -12.184 -0.766 0.000) 12.209 7.176 ( 12.184 -0.766 0.000) 12.209 7.234 ( -18.231 1.420 0.000) 18.286 7.234 ( 18.231 1.420 0.000) 18.286 7.549 ( -6.130 -5.858 0.000) 8.479 7.549 ( 6.130 -5.858 0.000) 8.479 7.712 ( -3.862 -4.357 0.000) 5.822 7.712 ( 3.862 -4.357 0.000) 5.822 7.925 ( -3.373 -2.486 0.000) 4.190 7.925 ( 3.373 -2.486 0.000) 4.190 8.076 ( -1.178 1.566 0.000) 1.960 8.076 ( 1.178 1.566 0.000) 1.960 8.406 ( -1.601 2.909 0.000) 3.321 8.406 ( 1.601 2.909 0.000) 3.321 8.603 ( -0.817 -0.475 0.000) 0.946 8.603 ( 0.817 -0.475 0.000) 0.946 8.740 ( -8.949 5.107 0.000) 10.303 8.740 ( 8.949 5.107 0.000) 10.303 8.785 ( -1.691 2.057 0.000) 2.663 8.785 ( 1.691 2.057 0.000) 2.663 13.079 ( -6.438 2.233 0.000) 6.814 13.079 ( 6.438 2.233 0.000) 6.814 13.204 ( -6.245 0.518 0.000) 6.266 13.204 ( 6.245 0.518 0.000) 6.266 13.246 ( -0.646 2.540 0.000) 2.621 13.246 ( 0.646 2.540 0.000) 2.621 13.446 ( -1.136 0.843 0.000) 1.415 13.446 ( 1.136 0.843 0.000) 1.415 13.855 ( -12.057 1.097 0.000) 12.107 13.855 ( 12.057 1.097 0.000) 12.107 13.934 ( -8.900 2.115 0.000) 9.148 13.934 ( 8.900 2.115 0.000) 9.148 14.066 ( -5.249 -0.104 0.000) 5.250 14.066 ( 5.249 -0.104 0.000) 5.250 14.241 ( -0.818 1.565 0.000) 1.766 14.241 ( 0.818 1.565 0.000) 1.766 14.338 ( -7.102 1.805 0.000) 7.328 14.338 ( 7.102 1.805 0.000) 7.328 14.725 ( -3.573 1.163 0.000) 3.758 14.725 ( 3.573 1.163 0.000) 3.758 14.864 ( -0.338 -1.750 0.000) 1.783 14.864 ( 0.338 -1.750 0.000) 1.783 14.970 ( -0.372 -0.196 0.000) 0.420 14.970 ( 0.372 -0.196 0.000) 0.420 15.625 ( -2.561 -1.169 0.000) 2.815 15.625 ( 2.561 -1.169 0.000) 2.815 15.835 ( -6.858 0.285 0.000) 6.864 15.835 ( 6.858 0.285 0.000) 6.864 15.998 ( -0.404 -1.506 0.000) 1.559 15.998 ( 0.404 -1.506 0.000) 1.559 16.136 ( -2.327 3.294 0.000) 4.033 16.136 ( 2.327 3.294 0.000) 4.033 16.281 ( -2.823 -0.494 0.000) 2.866 16.281 ( 2.823 -0.494 0.000) 2.866 16.477 ( -2.391 -2.580 0.000) 3.517 16.477 ( 2.391 -2.580 0.000) 3.517 16.583 ( -0.737 -0.625 0.000) 0.966 16.583 ( 0.737 -0.625 0.000) 0.966 16.601 ( -7.224 -0.891 0.000) 7.279 16.601 ( 7.224 -0.891 0.000) 7.279 16.747 ( -4.084 -0.342 0.000) 4.098 16.747 ( 4.084 -0.342 0.000) 4.098 16.870 ( -4.326 -0.106 0.000) 4.327 16.870 ( 4.326 -0.106 0.000) 4.327 16.943 ( -1.328 -2.968 0.000) 3.251 16.943 ( 1.328 -2.968 0.000) 3.251 17.042 ( -2.300 -1.708 0.000) 2.865 17.042 ( 2.300 -1.708 0.000) 2.865 17.315 ( -1.114 -3.543 0.000) 3.714 17.315 ( 1.114 -3.543 0.000) 3.714 17.430 ( -1.008 2.173 0.000) 2.395 17.430 ( 1.008 2.173 0.000) 2.395 17.639 ( -0.050 -2.759 0.000) 2.759 17.639 ( 0.050 -2.759 0.000) 2.759 17.667 ( -0.058 -2.554 0.000) 2.554 17.667 ( 0.058 -2.554 0.000) 2.554 18.055 ( -3.227 -0.652 0.000) 3.292 18.055 ( 3.227 -0.652 0.000) 3.292 18.135 ( -0.542 -3.756 0.000) 3.795 18.135 ( 0.542 -3.756 0.000) 3.795 18.258 ( -2.191 -3.704 0.000) 4.304 18.258 ( 2.191 -3.704 0.000) 4.304 18.287 ( -2.096 -4.421 0.000) 4.893 18.287 ( 2.096 -4.421 0.000) 4.893 18.422 ( -1.060 2.601 0.000) 2.809 18.422 ( 1.060 2.601 0.000) 2.809 18.573 ( -2.964 4.368 0.000) 5.279 18.573 ( 2.964 4.368 0.000) 5.279 18.757 ( -0.789 4.625 0.000) 4.692 18.757 ( 0.789 4.625 0.000) 4.692 18.793 ( -1.279 4.463 0.000) 4.643 18.793 ( 1.279 4.463 0.000) 4.643 ======================= Grid point 22 (13/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.403 ( 0.000 34.626 0.000) 34.626 1.698 ( 0.000 40.519 0.000) 40.519 2.491 ( 0.000 57.789 0.000) 57.789 2.910 ( 0.000 27.203 0.000) 27.203 2.931 ( 0.000 23.421 0.000) 23.421 3.036 ( 0.000 23.158 0.000) 23.158 3.059 ( 0.000 22.680 0.000) 22.680 4.458 ( 0.000 22.209 0.000) 22.209 4.479 ( 0.000 1.549 0.000) 1.549 4.816 ( 0.000 5.898 0.000) 5.898 4.909 ( 0.000 16.959 0.000) 16.959 4.996 ( 0.000 -10.169 0.000) 10.169 5.007 ( 0.000 -13.227 0.000) 13.227 5.116 ( 0.000 -18.133 0.000) 18.133 5.497 ( 0.000 -18.871 0.000) 18.871 5.656 ( 0.000 -12.251 0.000) 12.251 5.767 ( 0.000 -11.259 0.000) 11.259 5.767 ( 0.000 -3.282 0.000) 3.282 5.800 ( 0.000 -16.379 0.000) 16.379 5.856 ( 0.000 3.869 0.000) 3.869 6.214 ( 0.000 -5.929 0.000) 5.929 6.364 ( 0.000 -3.422 0.000) 3.422 6.494 ( 0.000 0.919 0.000) 0.919 6.519 ( 0.000 -9.573 0.000) 9.573 6.525 ( 0.000 -12.518 0.000) 12.518 6.727 ( 0.000 2.723 0.000) 2.723 6.897 ( 0.000 4.389 0.000) 4.389 6.975 ( 0.000 1.791 0.000) 1.791 7.103 ( 0.000 -2.768 0.000) 2.768 7.605 ( 0.000 1.340 0.000) 1.340 7.724 ( 0.000 8.419 0.000) 8.419 7.777 ( 0.000 9.934 0.000) 9.934 7.826 ( 0.000 7.485 0.000) 7.485 7.833 ( 0.000 5.002 0.000) 5.002 7.934 ( 0.000 -3.962 0.000) 3.962 7.935 ( 0.000 -5.563 0.000) 5.563 8.190 ( 0.000 1.947 0.000) 1.947 8.240 ( 0.000 -0.027 0.000) 0.027 8.283 ( 0.000 -9.021 0.000) 9.021 8.297 ( 0.000 6.219 0.000) 6.219 8.561 ( 0.000 0.684 0.000) 0.684 8.736 ( 0.000 -7.484 0.000) 7.484 8.778 ( 0.000 -12.247 0.000) 12.247 8.797 ( 0.000 -9.718 0.000) 9.718 8.866 ( 0.000 -5.296 0.000) 5.296 8.904 ( 0.000 -7.814 0.000) 7.814 9.215 ( 0.000 -4.957 0.000) 4.957 9.227 ( 0.000 -8.530 0.000) 8.530 12.679 ( 0.000 5.506 0.000) 5.506 12.736 ( 0.000 5.355 0.000) 5.355 12.773 ( 0.000 5.903 0.000) 5.903 12.894 ( 0.000 5.392 0.000) 5.392 12.930 ( 0.000 7.016 0.000) 7.016 12.936 ( 0.000 1.555 0.000) 1.555 13.038 ( 0.000 8.174 0.000) 8.174 13.145 ( 0.000 -0.356 0.000) 0.356 13.231 ( 0.000 4.428 0.000) 4.428 13.372 ( 0.000 2.181 0.000) 2.181 13.472 ( 0.000 8.786 0.000) 8.786 13.476 ( 0.000 -1.770 0.000) 1.770 13.613 ( 0.000 5.779 0.000) 5.779 13.906 ( 0.000 -1.995 0.000) 1.995 14.044 ( 0.000 -0.902 0.000) 0.902 14.055 ( 0.000 -5.622 0.000) 5.622 14.377 ( 0.000 -5.776 0.000) 5.776 14.415 ( 0.000 7.098 0.000) 7.098 14.435 ( 0.000 2.564 0.000) 2.564 14.523 ( 0.000 4.587 0.000) 4.587 14.671 ( 0.000 -8.330 0.000) 8.330 14.793 ( 0.000 -2.150 0.000) 2.150 14.894 ( 0.000 -3.226 0.000) 3.226 15.087 ( 0.000 -0.908 0.000) 0.908 15.540 ( 0.000 1.057 0.000) 1.057 15.895 ( 0.000 -1.489 0.000) 1.489 16.013 ( 0.000 -2.529 0.000) 2.529 16.040 ( 0.000 -1.680 0.000) 1.680 16.076 ( 0.000 -2.312 0.000) 2.312 16.187 ( 0.000 -2.570 0.000) 2.570 16.192 ( 0.000 1.638 0.000) 1.638 16.290 ( 0.000 5.986 0.000) 5.986 16.291 ( 0.000 6.858 0.000) 6.858 16.313 ( 0.000 -1.394 0.000) 1.394 16.519 ( 0.000 1.909 0.000) 1.909 16.557 ( 0.000 2.855 0.000) 2.855 16.639 ( 0.000 -7.267 0.000) 7.267 16.711 ( 0.000 0.691 0.000) 0.691 16.717 ( 0.000 -2.250 0.000) 2.250 16.837 ( 0.000 -1.105 0.000) 1.105 16.893 ( 0.000 -0.733 0.000) 0.733 16.960 ( 0.000 1.076 0.000) 1.076 17.018 ( 0.000 -1.267 0.000) 1.267 17.067 ( 0.000 -3.118 0.000) 3.118 17.082 ( 0.000 -4.217 0.000) 4.217 17.184 ( 0.000 -5.892 0.000) 5.892 17.309 ( 0.000 -3.014 0.000) 3.014 17.324 ( 0.000 -3.030 0.000) 3.030 17.346 ( 0.000 3.365 0.000) 3.365 17.469 ( 0.000 1.336 0.000) 1.336 17.559 ( 0.000 0.092 0.000) 0.092 17.563 ( 0.000 -5.175 0.000) 5.175 17.605 ( 0.000 -3.090 0.000) 3.090 17.696 ( 0.000 2.569 0.000) 2.569 17.704 ( 0.000 -5.509 0.000) 5.509 17.740 ( 0.000 -0.673 0.000) 0.673 17.782 ( 0.000 0.985 0.000) 0.985 17.951 ( 0.000 -2.311 0.000) 2.311 17.993 ( 0.000 -3.404 0.000) 3.404 17.993 ( 0.000 -0.254 0.000) 0.254 18.170 ( 0.000 -2.049 0.000) 2.049 18.215 ( 0.000 -1.666 0.000) 1.666 18.298 ( 0.000 0.662 0.000) 0.662 18.511 ( 0.000 -6.913 0.000) 6.913 18.746 ( 0.000 5.536 0.000) 5.536 18.769 ( 0.000 5.000 0.000) 5.000 18.791 ( 0.000 2.665 0.000) 2.665 18.808 ( 0.000 0.761 0.000) 0.761 18.947 ( 0.000 2.287 0.000) 2.287 18.994 ( 0.000 1.273 0.000) 1.273 18.995 ( 0.000 2.318 0.000) 2.318 19.048 ( 0.000 1.579 0.000) 1.579 ======================= Grid point 23 (14/60) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 14.746 31.784 0.000) 35.038 1.948 ( 22.612 35.542 0.000) 42.126 2.742 ( 25.014 49.350 0.000) 55.327 2.998 ( 9.482 26.112 0.000) 27.781 3.073 ( 13.660 21.163 0.000) 25.189 3.095 ( 6.809 19.184 0.000) 20.357 3.179 ( 11.147 23.493 0.000) 26.003 4.463 ( 3.412 14.003 0.000) 14.413 4.591 ( 7.798 5.633 0.000) 9.620 4.857 ( -1.420 -2.671 0.000) 3.025 4.982 ( 4.967 -0.173 0.000) 4.970 5.003 ( 7.531 4.310 0.000) 8.677 5.074 ( 8.472 1.822 0.000) 8.665 5.178 ( 5.251 -16.507 0.000) 17.322 5.448 ( -3.583 -19.051 0.000) 19.385 5.608 ( -5.741 -6.460 0.000) 8.642 5.698 ( -1.032 -7.325 0.000) 7.397 5.743 ( -5.273 -1.098 0.000) 5.386 5.845 ( 2.961 -11.184 0.000) 11.570 5.891 ( 1.648 -8.472 0.000) 8.631 6.196 ( -2.097 -4.727 0.000) 5.171 6.335 ( -4.346 -5.856 0.000) 7.292 6.417 ( -6.824 2.204 0.000) 7.171 6.483 ( -1.918 -9.823 0.000) 10.009 6.504 ( -1.273 -9.597 0.000) 9.681 6.690 ( -3.901 -0.996 0.000) 4.026 6.955 ( 4.497 2.594 0.000) 5.192 6.974 ( -0.764 1.700 0.000) 1.864 7.144 ( 4.107 -2.850 0.000) 4.999 7.604 ( -10.815 6.926 0.000) 12.842 7.605 ( -0.229 1.495 0.000) 1.512 7.675 ( -7.669 7.900 0.000) 11.011 7.797 ( -2.833 2.669 0.000) 3.893 7.891 ( 2.004 2.612 0.000) 3.293 7.929 ( 2.734 0.947 0.000) 2.894 7.939 ( 0.114 -3.675 0.000) 3.677 8.203 ( -9.013 6.292 0.000) 10.992 8.207 ( -4.308 -10.366 0.000) 11.225 8.273 ( 4.545 3.178 0.000) 5.546 8.323 ( 6.462 1.318 0.000) 6.595 8.566 ( 0.404 0.752 0.000) 0.854 8.674 ( -6.900 -9.755 0.000) 11.948 8.727 ( -4.954 -11.939 0.000) 12.926 8.802 ( 2.936 -5.882 0.000) 6.574 8.878 ( -3.057 -6.667 0.000) 7.335 8.886 ( -0.186 -4.511 0.000) 4.515 9.097 ( -11.724 -4.665 0.000) 12.618 9.212 ( -1.424 -7.764 0.000) 7.894 12.697 ( 1.932 5.491 0.000) 5.821 12.792 ( 5.076 4.950 0.000) 7.090 12.815 ( 4.249 5.625 0.000) 7.049 12.927 ( 2.811 6.003 0.000) 6.629 12.958 ( 3.504 6.548 0.000) 7.426 12.981 ( 4.520 1.478 0.000) 4.756 13.070 ( 3.449 8.077 0.000) 8.782 13.185 ( 4.096 0.119 0.000) 4.097 13.275 ( 4.352 3.961 0.000) 5.884 13.392 ( 1.849 1.895 0.000) 2.647 13.474 ( 3.183 3.259 0.000) 4.555 13.594 ( 8.506 2.892 0.000) 8.985 13.653 ( 4.054 5.951 0.000) 7.200 13.913 ( 1.229 -1.584 0.000) 2.005 14.061 ( 0.694 -5.323 0.000) 5.368 14.114 ( 6.271 -1.166 0.000) 6.378 14.336 ( -2.012 -1.342 0.000) 2.419 14.473 ( 3.700 2.384 0.000) 4.401 14.478 ( 4.658 3.104 0.000) 5.597 14.578 ( 4.853 3.681 0.000) 6.091 14.683 ( 1.139 -7.740 0.000) 7.823 14.798 ( 0.159 -2.346 0.000) 2.351 14.893 ( -0.049 -2.941 0.000) 2.942 15.087 ( -0.144 -0.830 0.000) 0.843 15.548 ( 0.733 1.012 0.000) 1.250 15.874 ( -2.071 -1.081 0.000) 2.336 15.945 ( -7.466 -1.630 0.000) 7.642 15.997 ( -1.613 -2.124 0.000) 2.667 16.079 ( -5.374 0.753 0.000) 5.427 16.087 ( -1.886 -1.117 0.000) 2.192 16.185 ( -0.706 0.840 0.000) 1.097 16.226 ( -6.066 5.226 0.000) 8.006 16.324 ( 1.916 -0.226 0.000) 1.929 16.384 ( 4.372 0.903 0.000) 4.464 16.472 ( -4.364 1.556 0.000) 4.634 16.544 ( -1.348 3.320 0.000) 3.583 16.638 ( -4.430 0.416 0.000) 4.449 16.644 ( 0.038 -6.115 0.000) 6.115 16.751 ( 0.765 -2.650 0.000) 2.758 16.793 ( -3.888 -1.017 0.000) 4.019 16.856 ( -3.523 -0.849 0.000) 3.624 16.930 ( -2.704 0.959 0.000) 2.869 17.016 ( 0.118 -1.529 0.000) 1.533 17.055 ( -1.460 -3.540 0.000) 3.829 17.121 ( 2.579 -4.268 0.000) 4.987 17.178 ( -0.672 -5.950 0.000) 5.988 17.272 ( -3.586 -1.852 0.000) 4.036 17.307 ( -1.820 -3.575 0.000) 4.012 17.319 ( -2.410 2.276 0.000) 3.315 17.472 ( 0.022 1.108 0.000) 1.109 17.521 ( -3.639 -0.724 0.000) 3.710 17.583 ( -2.051 0.384 0.000) 2.087 17.600 ( 3.130 -4.520 0.000) 5.498 17.674 ( -0.530 0.254 0.000) 0.588 17.723 ( 0.629 -2.526 0.000) 2.603 17.757 ( -2.424 0.279 0.000) 2.440 17.782 ( 3.371 -3.518 0.000) 4.873 17.952 ( 0.334 -2.472 0.000) 2.494 17.977 ( -1.148 -2.148 0.000) 2.435 18.005 ( 0.920 -1.963 0.000) 2.168 18.139 ( -1.303 -1.678 0.000) 2.125 18.272 ( 3.449 -2.414 0.000) 4.210 18.297 ( 0.182 0.339 0.000) 0.384 18.519 ( 0.180 -7.146 0.000) 7.148 18.704 ( -3.342 5.469 0.000) 6.409 18.753 ( -2.547 2.567 0.000) 3.616 18.797 ( -0.249 3.471 0.000) 3.480 18.799 ( -0.333 3.002 0.000) 3.020 18.900 ( -4.271 2.877 0.000) 5.149 18.951 ( -3.981 2.518 0.000) 4.710 18.988 ( -0.830 1.954 0.000) 2.123 19.032 ( -1.561 1.787 0.000) 2.373 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 24.567 26.454 0.000) 36.101 2.462 ( 28.462 29.673 0.000) 41.117 3.246 ( 16.913 22.193 0.000) 27.903 3.298 ( 13.718 14.137 0.000) 19.699 3.343 ( 26.552 22.230 0.000) 34.629 3.477 ( 19.016 20.819 0.000) 28.197 3.519 ( 37.706 26.013 0.000) 45.808 4.592 ( 9.368 11.687 0.000) 14.978 4.710 ( -10.983 -4.179 0.000) 11.751 4.719 ( 3.584 -3.267 0.000) 4.850 5.153 ( 8.979 0.448 0.000) 8.990 5.216 ( 9.206 7.716 0.000) 12.012 5.278 ( 8.212 -11.215 0.000) 13.900 5.310 ( 7.902 2.606 0.000) 8.321 5.444 ( 8.047 -9.446 0.000) 12.409 5.532 ( 1.445 -4.772 0.000) 4.986 5.611 ( -7.203 4.231 0.000) 8.354 5.673 ( -2.193 -6.876 0.000) 7.217 5.875 ( -0.794 -11.511 0.000) 11.539 5.885 ( -1.325 -6.665 0.000) 6.795 6.120 ( -5.162 -1.503 0.000) 5.376 6.163 ( -12.108 -5.860 0.000) 13.451 6.287 ( -5.167 -1.311 0.000) 5.331 6.471 ( -2.388 -7.470 0.000) 7.842 6.510 ( 3.306 -8.872 0.000) 9.468 6.574 ( -7.754 -3.030 0.000) 8.325 6.927 ( -3.864 2.377 0.000) 4.536 7.023 ( 1.790 -2.587 0.000) 3.146 7.254 ( 6.774 -3.403 0.000) 7.581 7.380 ( -10.627 2.915 0.000) 11.020 7.516 ( -5.927 4.059 0.000) 7.184 7.620 ( -0.582 0.317 0.000) 0.663 7.715 ( -6.873 -0.362 0.000) 6.883 7.808 ( -6.747 -3.579 0.000) 7.638 7.875 ( -9.483 -0.921 0.000) 9.527 8.039 ( -3.244 2.496 0.000) 4.093 8.072 ( 2.725 -1.593 0.000) 3.157 8.150 ( 5.399 -0.187 0.000) 5.402 8.360 ( 2.199 2.775 0.000) 3.541 8.434 ( 3.843 2.204 0.000) 4.430 8.537 ( -5.746 -8.497 0.000) 10.257 8.552 ( -4.113 -3.995 0.000) 5.734 8.587 ( -11.018 -5.336 0.000) 12.242 8.753 ( -10.505 -4.813 0.000) 11.555 8.800 ( -5.236 -2.983 0.000) 6.026 8.831 ( -9.948 -2.680 0.000) 10.302 8.895 ( 2.691 -1.685 0.000) 3.175 9.174 ( -2.591 -5.347 0.000) 5.942 12.757 ( 4.257 5.412 0.000) 6.886 12.896 ( 4.987 4.692 0.000) 6.847 12.931 ( 7.401 5.011 0.000) 8.938 13.004 ( 5.450 6.694 0.000) 8.632 13.067 ( 6.919 5.568 0.000) 8.881 13.100 ( 7.257 0.755 0.000) 7.297 13.178 ( 7.507 6.657 0.000) 10.033 13.296 ( 6.925 1.035 0.000) 7.002 13.392 ( 7.365 3.153 0.000) 8.012 13.434 ( 2.181 1.671 0.000) 2.748 13.583 ( 7.512 2.107 0.000) 7.802 13.767 ( 7.479 5.772 0.000) 9.447 13.785 ( 10.670 2.241 0.000) 10.903 13.960 ( 3.443 -0.935 0.000) 3.567 14.083 ( 1.446 -4.477 0.000) 4.704 14.252 ( 6.867 -1.000 0.000) 6.940 14.312 ( -0.667 -0.869 0.000) 1.096 14.563 ( 4.987 1.930 0.000) 5.348 14.587 ( 6.226 2.055 0.000) 6.556 14.682 ( 5.121 2.511 0.000) 5.703 14.714 ( 2.012 -6.163 0.000) 6.483 14.787 ( -1.193 -1.400 0.000) 1.839 14.896 ( 0.467 -2.353 0.000) 2.399 15.073 ( -1.533 -0.417 0.000) 1.589 15.560 ( -0.140 0.481 0.000) 0.501 15.809 ( -4.533 0.940 0.000) 4.629 15.819 ( -3.745 0.568 0.000) 3.788 15.962 ( -1.280 -1.264 0.000) 1.799 15.972 ( -4.203 -0.293 0.000) 4.213 16.056 ( -2.020 -0.605 0.000) 2.108 16.082 ( -7.106 2.236 0.000) 7.449 16.174 ( -0.731 0.158 0.000) 0.748 16.353 ( 0.526 -0.015 0.000) 0.527 16.370 ( -5.538 1.395 0.000) 5.712 16.430 ( -0.231 -1.051 0.000) 1.076 16.503 ( -2.259 3.023 0.000) 3.774 16.575 ( -1.131 0.935 0.000) 1.468 16.612 ( -3.793 -2.743 0.000) 4.681 16.703 ( -5.418 -2.482 0.000) 5.960 16.747 ( -0.938 -3.812 0.000) 3.926 16.787 ( -2.653 -0.982 0.000) 2.829 16.869 ( -3.347 0.327 0.000) 3.363 17.004 ( -3.912 -4.345 0.000) 5.847 17.009 ( -1.200 -1.498 0.000) 1.919 17.158 ( -1.354 -6.062 0.000) 6.211 17.158 ( 0.947 -5.098 0.000) 5.185 17.186 ( -4.629 -1.298 0.000) 4.807 17.250 ( -4.196 -4.354 0.000) 6.047 17.259 ( -3.719 1.884 0.000) 4.169 17.432 ( -4.977 -0.547 0.000) 5.007 17.461 ( -1.062 0.680 0.000) 1.261 17.542 ( -1.909 2.080 0.000) 2.824 17.653 ( 1.454 -3.012 0.000) 3.345 17.653 ( -1.799 -0.573 0.000) 1.888 17.701 ( -2.830 -1.961 0.000) 3.443 17.752 ( 2.011 -1.715 0.000) 2.643 17.840 ( 2.306 -4.480 0.000) 5.039 17.956 ( -0.701 -3.064 0.000) 3.143 17.971 ( 1.638 -3.458 0.000) 3.827 18.031 ( 1.673 -2.856 0.000) 3.310 18.126 ( -0.051 -2.077 0.000) 2.077 18.306 ( 0.401 -1.222 0.000) 1.286 18.314 ( 0.352 -3.381 0.000) 3.399 18.499 ( -2.536 -6.300 0.000) 6.791 18.637 ( -3.229 6.257 0.000) 7.041 18.667 ( -5.677 2.575 0.000) 6.234 18.741 ( -5.463 4.052 0.000) 6.801 18.796 ( -0.801 4.372 0.000) 4.445 18.834 ( -1.574 3.546 0.000) 3.880 18.869 ( -3.164 4.541 0.000) 5.535 18.962 ( -1.871 2.173 0.000) 2.868 18.992 ( -2.377 2.209 0.000) 3.245 ======================= Grid point 25 (16/60) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 29.096 21.855 0.000) 36.390 3.027 ( 29.121 23.313 0.000) 37.303 3.592 ( 18.144 15.080 0.000) 23.593 3.610 ( 17.638 9.465 0.000) 20.017 3.833 ( 25.608 13.605 0.000) 28.998 3.898 ( 23.678 16.394 0.000) 28.800 4.389 ( 31.233 11.827 0.000) 33.397 4.477 ( 2.856 6.995 0.000) 7.555 4.687 ( -6.960 -3.920 0.000) 7.988 4.809 ( 12.220 7.167 0.000) 14.167 5.129 ( -9.125 5.768 0.000) 10.795 5.263 ( -8.743 -3.380 0.000) 9.374 5.369 ( 10.718 6.223 0.000) 12.393 5.520 ( -3.385 -3.642 0.000) 4.972 5.532 ( 1.256 -9.319 0.000) 9.404 5.606 ( -1.605 3.890 0.000) 4.208 5.630 ( 3.209 1.946 0.000) 3.753 5.668 ( 9.710 -10.347 0.000) 14.190 5.821 ( -0.376 -4.432 0.000) 4.448 5.904 ( -8.587 -3.463 0.000) 9.259 6.012 ( 13.884 1.524 0.000) 13.968 6.075 ( 1.929 -5.048 0.000) 5.404 6.259 ( 3.589 -5.088 0.000) 6.226 6.344 ( -10.407 -0.561 0.000) 10.422 6.458 ( -3.516 -6.028 0.000) 6.978 6.546 ( -0.272 -6.796 0.000) 6.802 6.853 ( -2.908 1.344 0.000) 3.204 7.022 ( -1.555 -6.754 0.000) 6.931 7.231 ( -3.878 -3.020 0.000) 4.915 7.375 ( -0.910 -2.133 0.000) 2.319 7.429 ( -4.508 -1.093 0.000) 4.638 7.476 ( -9.976 -0.902 0.000) 10.017 7.557 ( -4.606 -4.730 0.000) 6.602 7.695 ( -8.484 -6.608 0.000) 10.754 7.711 ( -2.624 -2.043 0.000) 3.325 8.038 ( 0.878 -0.418 0.000) 0.972 8.058 ( -0.338 -6.795 0.000) 6.803 8.127 ( -30.802 -2.825 0.000) 30.932 8.283 ( -9.177 -4.892 0.000) 10.399 8.353 ( -12.651 0.294 0.000) 12.655 8.362 ( 11.187 8.133 0.000) 13.831 8.498 ( -0.658 -2.119 0.000) 2.219 8.513 ( 2.139 1.280 0.000) 2.493 8.667 ( -6.566 0.420 0.000) 6.579 8.692 ( -0.507 -0.393 0.000) 0.641 8.711 ( -1.760 1.376 0.000) 2.234 8.935 ( 0.745 0.619 0.000) 0.968 9.108 ( -4.239 -1.774 0.000) 4.595 12.863 ( 6.491 4.974 0.000) 8.178 12.994 ( 5.399 4.243 0.000) 6.867 13.090 ( 8.526 4.322 0.000) 9.559 13.126 ( 6.635 6.015 0.000) 8.955 13.190 ( 4.599 4.353 0.000) 6.333 13.233 ( 5.283 -0.869 0.000) 5.354 13.335 ( 7.631 4.259 0.000) 8.739 13.438 ( 5.674 -0.558 0.000) 5.701 13.483 ( 4.944 5.102 0.000) 7.104 13.561 ( 10.080 3.326 0.000) 10.614 13.747 ( 8.819 1.055 0.000) 8.881 13.929 ( 8.514 4.759 0.000) 9.753 13.991 ( 9.775 1.583 0.000) 9.902 14.037 ( 4.317 -0.000 0.000) 4.317 14.111 ( 1.114 -3.121 0.000) 3.314 14.299 ( -0.967 -0.339 0.000) 1.025 14.340 ( 1.501 0.549 0.000) 1.599 14.651 ( 3.861 1.634 0.000) 4.193 14.657 ( -2.524 -0.012 0.000) 2.524 14.741 ( 2.728 0.266 0.000) 2.741 14.757 ( 2.327 -4.443 0.000) 5.016 14.812 ( 4.360 1.876 0.000) 4.746 14.913 ( 1.151 -1.833 0.000) 2.165 15.021 ( -3.659 0.429 0.000) 3.684 15.533 ( -1.330 -0.294 0.000) 1.362 15.720 ( -5.924 2.569 0.000) 6.457 15.800 ( 1.558 1.144 0.000) 1.933 15.938 ( 1.753 -0.678 0.000) 1.879 15.946 ( -2.338 -0.244 0.000) 2.350 16.009 ( 1.346 -2.179 0.000) 2.561 16.023 ( -0.902 0.110 0.000) 0.909 16.160 ( -0.194 -0.333 0.000) 0.385 16.279 ( -3.419 2.440 0.000) 4.200 16.320 ( -3.444 1.384 0.000) 3.712 16.411 ( -0.176 -1.089 0.000) 1.103 16.475 ( -1.352 -0.876 0.000) 1.611 16.509 ( -6.168 -0.651 0.000) 6.203 16.588 ( -5.933 -3.451 0.000) 6.864 16.590 ( 2.305 1.579 0.000) 2.794 16.729 ( -0.478 -4.471 0.000) 4.496 16.747 ( -2.141 -1.853 0.000) 2.832 16.811 ( -2.229 0.324 0.000) 2.252 16.905 ( -6.011 -4.334 0.000) 7.410 16.960 ( -3.763 -1.760 0.000) 4.155 17.087 ( -5.043 -2.020 0.000) 5.433 17.124 ( -2.888 -4.134 0.000) 5.043 17.139 ( -6.418 -5.242 0.000) 8.287 17.151 ( -4.192 -3.134 0.000) 5.234 17.197 ( -0.478 -0.530 0.000) 0.714 17.345 ( -3.840 -1.095 0.000) 3.993 17.440 ( -0.735 0.410 0.000) 0.841 17.511 ( -1.280 1.387 0.000) 1.888 17.612 ( -2.145 -1.628 0.000) 2.693 17.627 ( -2.867 -2.146 0.000) 3.581 17.673 ( -1.122 -4.082 0.000) 4.233 17.752 ( -3.164 -1.223 0.000) 3.392 17.887 ( 3.373 -3.693 0.000) 5.001 17.956 ( 0.686 -4.176 0.000) 4.232 18.012 ( 2.317 -4.908 0.000) 5.428 18.065 ( 1.733 -3.777 0.000) 4.156 18.133 ( 0.527 -2.409 0.000) 2.466 18.276 ( -3.781 -3.679 0.000) 5.276 18.298 ( -1.663 -3.155 0.000) 3.567 18.408 ( -6.677 -4.759 0.000) 8.199 18.566 ( -3.818 5.577 0.000) 6.759 18.586 ( -2.126 6.445 0.000) 6.787 18.651 ( -2.713 5.835 0.000) 6.435 18.753 ( -2.626 3.872 0.000) 4.679 18.817 ( -0.363 3.411 0.000) 3.430 18.854 ( 0.634 5.458 0.000) 5.494 18.919 ( -2.362 2.646 0.000) 3.547 18.948 ( -2.050 2.782 0.000) 3.456 ======================= Grid point 26 (17/60) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 29.214 17.968 0.000) 34.298 3.580 ( 27.259 16.118 0.000) 31.668 3.884 ( 5.091 9.363 0.000) 10.657 3.956 ( 16.843 5.483 0.000) 17.713 4.157 ( -9.357 6.837 0.000) 11.589 4.340 ( 25.765 11.424 0.000) 28.184 4.371 ( 23.600 11.666 0.000) 26.326 4.460 ( -15.630 1.931 0.000) 15.748 4.895 ( -10.522 7.481 0.000) 12.910 4.954 ( -6.572 3.559 0.000) 7.473 5.123 ( 4.119 4.914 0.000) 6.412 5.270 ( -17.608 1.198 0.000) 17.649 5.311 ( -15.913 6.544 0.000) 17.206 5.345 ( 31.845 4.450 0.000) 32.154 5.572 ( 1.841 -9.004 0.000) 9.190 5.615 ( 9.103 3.448 0.000) 9.734 5.681 ( 11.906 3.418 0.000) 12.387 5.753 ( -5.384 2.962 0.000) 6.145 5.843 ( 3.274 -5.197 0.000) 6.142 5.945 ( 9.198 -11.026 0.000) 14.358 6.074 ( -6.918 -7.576 0.000) 10.259 6.263 ( -0.064 -3.606 0.000) 3.607 6.289 ( 7.017 -2.755 0.000) 7.538 6.337 ( 6.786 -4.942 0.000) 8.395 6.526 ( -1.359 -7.666 0.000) 7.786 6.561 ( 17.265 -1.951 0.000) 17.375 6.880 ( 8.495 1.542 0.000) 8.634 6.970 ( -2.792 -9.012 0.000) 9.435 7.022 ( -19.880 -0.264 0.000) 19.882 7.217 ( -8.231 -6.113 0.000) 10.253 7.326 ( -4.912 -3.596 0.000) 6.087 7.414 ( -18.522 -5.459 0.000) 19.310 7.493 ( -3.867 -9.717 0.000) 10.458 7.523 ( -17.758 -6.188 0.000) 18.805 7.589 ( 1.859 -5.532 0.000) 5.836 7.672 ( -1.160 0.302 0.000) 1.199 8.052 ( -3.098 1.874 0.000) 3.621 8.056 ( -7.174 -6.876 0.000) 9.937 8.074 ( -3.791 2.543 0.000) 4.565 8.094 ( -9.048 2.905 0.000) 9.503 8.465 ( -1.907 -1.018 0.000) 2.162 8.467 ( -0.562 2.631 0.000) 2.691 8.566 ( 1.293 -0.843 0.000) 1.543 8.645 ( -2.168 0.293 0.000) 2.188 8.669 ( 8.777 7.966 0.000) 11.853 8.765 ( 4.084 3.780 0.000) 5.565 8.918 ( -2.360 2.806 0.000) 3.666 9.005 ( -6.445 2.137 0.000) 6.790 13.001 ( 7.422 4.087 0.000) 8.473 13.108 ( 6.164 2.800 0.000) 6.770 13.212 ( -0.967 2.856 0.000) 3.016 13.243 ( 6.508 3.667 0.000) 7.470 13.255 ( 4.716 4.846 0.000) 6.762 13.279 ( -0.621 -0.633 0.000) 0.887 13.446 ( 3.298 2.547 0.000) 4.167 13.471 ( 0.175 0.171 0.000) 0.244 13.671 ( 11.639 4.820 0.000) 12.598 13.778 ( 11.636 3.819 0.000) 12.247 13.909 ( 7.047 0.388 0.000) 7.057 14.061 ( 3.353 3.344 0.000) 4.736 14.068 ( -0.957 1.286 0.000) 1.603 14.111 ( -1.520 -1.407 0.000) 2.071 14.178 ( 7.601 0.936 0.000) 7.658 14.276 ( -0.583 1.136 0.000) 1.277 14.332 ( -0.148 3.263 0.000) 3.267 14.539 ( -7.828 1.770 0.000) 8.025 14.709 ( 2.200 1.790 0.000) 2.836 14.783 ( 0.738 -1.470 0.000) 1.645 14.798 ( 1.590 -3.448 0.000) 3.797 14.859 ( -1.657 1.509 0.000) 2.241 14.937 ( 1.303 -1.277 0.000) 1.824 14.966 ( -0.520 0.312 0.000) 0.606 15.551 ( 3.000 -1.450 0.000) 3.332 15.629 ( -2.614 2.040 0.000) 3.315 15.801 ( -0.938 -0.896 0.000) 1.297 15.885 ( -3.847 -3.475 0.000) 5.184 15.998 ( 1.394 1.272 0.000) 1.887 16.030 ( -0.581 1.344 0.000) 1.465 16.071 ( 6.673 1.008 0.000) 6.749 16.221 ( 2.802 -0.857 0.000) 2.930 16.249 ( 3.042 1.368 0.000) 3.335 16.267 ( -1.501 0.117 0.000) 1.505 16.398 ( -3.790 -0.780 0.000) 3.870 16.426 ( 0.308 -0.853 0.000) 0.906 16.457 ( 1.838 -3.052 0.000) 3.563 16.489 ( -3.691 -3.328 0.000) 4.970 16.652 ( 3.242 -0.069 0.000) 3.243 16.685 ( -4.586 -2.858 0.000) 5.404 16.718 ( -3.349 -5.047 0.000) 6.057 16.786 ( -0.612 0.677 0.000) 0.913 16.799 ( -1.541 -1.817 0.000) 2.383 16.881 ( -3.344 -1.769 0.000) 3.783 16.986 ( -5.396 -1.482 0.000) 5.595 16.988 ( -7.262 -1.951 0.000) 7.520 17.041 ( -5.496 -1.954 0.000) 5.833 17.067 ( -4.058 -3.923 0.000) 5.644 17.212 ( 1.276 -3.267 0.000) 3.508 17.281 ( -2.618 -2.627 0.000) 3.709 17.441 ( 0.875 0.730 0.000) 1.140 17.492 ( -0.811 1.288 0.000) 1.522 17.577 ( -1.182 -3.273 0.000) 3.480 17.579 ( -1.730 -3.268 0.000) 3.697 17.636 ( -2.324 -3.943 0.000) 4.577 17.657 ( -5.074 -2.257 0.000) 5.553 17.968 ( 4.395 -1.885 0.000) 4.782 17.980 ( 1.639 -4.736 0.000) 5.012 18.046 ( 0.815 -5.516 0.000) 5.576 18.095 ( 1.247 -3.619 0.000) 3.827 18.140 ( 0.041 -3.057 0.000) 3.057 18.207 ( -2.151 -3.154 0.000) 3.817 18.217 ( -6.501 -3.114 0.000) 7.208 18.290 ( -4.470 -4.035 0.000) 6.022 18.524 ( -0.756 6.713 0.000) 6.755 18.549 ( -1.605 5.962 0.000) 6.174 18.639 ( 0.906 5.888 0.000) 5.958 18.708 ( -2.061 4.195 0.000) 4.674 18.820 ( 0.662 3.413 0.000) 3.476 18.871 ( 0.791 5.072 0.000) 5.134 18.876 ( -1.838 2.999 0.000) 3.518 18.914 ( -1.387 3.497 0.000) 3.762 ======================= Grid point 27 (18/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -24.978 13.643 0.000) 28.462 3.585 ( 24.978 13.643 0.000) 28.462 4.072 ( -22.632 8.319 0.000) 24.112 4.072 ( 22.632 8.319 0.000) 24.112 4.183 ( -2.279 3.758 0.000) 4.396 4.183 ( 2.279 3.758 0.000) 4.396 4.717 ( -2.489 10.245 0.000) 10.543 4.717 ( 2.489 10.245 0.000) 10.543 4.820 ( -10.359 6.787 0.000) 12.384 4.820 ( 10.359 6.787 0.000) 12.384 4.940 ( -4.099 7.556 0.000) 8.596 4.940 ( 4.099 7.556 0.000) 8.596 5.364 ( -10.070 2.093 0.000) 10.285 5.364 ( 10.070 2.093 0.000) 10.285 5.616 ( -3.847 -3.646 0.000) 5.301 5.616 ( 3.847 -3.646 0.000) 5.301 5.886 ( -7.846 -1.714 0.000) 8.031 5.886 ( 7.846 -1.714 0.000) 8.031 5.972 ( -8.067 -3.511 0.000) 8.798 5.972 ( 8.067 -3.511 0.000) 8.798 6.252 ( -12.096 -5.862 0.000) 13.442 6.252 ( 12.096 -5.862 0.000) 13.442 6.342 ( -23.709 -7.057 0.000) 24.737 6.342 ( 23.709 -7.057 0.000) 24.737 6.631 ( -18.924 -1.640 0.000) 18.994 6.631 ( 18.924 -1.640 0.000) 18.994 6.783 ( -9.813 -2.546 0.000) 10.138 6.783 ( 9.813 -2.546 0.000) 10.138 7.110 ( -8.004 -5.772 0.000) 9.868 7.110 ( 8.004 -5.772 0.000) 9.868 7.191 ( -1.833 -5.372 0.000) 5.676 7.191 ( 1.833 -5.372 0.000) 5.676 7.388 ( -5.018 -9.057 0.000) 10.354 7.388 ( 5.018 -9.057 0.000) 10.354 7.667 ( -1.360 0.107 0.000) 1.364 7.667 ( 1.360 0.107 0.000) 1.364 7.923 ( -0.319 1.683 0.000) 1.713 7.923 ( 0.319 1.683 0.000) 1.713 8.077 ( -0.014 -0.436 0.000) 0.436 8.077 ( 0.014 -0.436 0.000) 0.436 8.448 ( -0.327 0.629 0.000) 0.709 8.448 ( 0.327 0.629 0.000) 0.709 8.602 ( -2.263 0.303 0.000) 2.283 8.602 ( 2.263 0.303 0.000) 2.283 8.841 ( -1.102 3.560 0.000) 3.727 8.841 ( 1.102 3.560 0.000) 3.727 8.863 ( -3.559 6.004 0.000) 6.980 8.863 ( 3.559 6.004 0.000) 6.980 13.136 ( -5.939 3.040 0.000) 6.672 13.136 ( 5.939 3.040 0.000) 6.672 13.220 ( -4.873 0.981 0.000) 4.971 13.220 ( 4.873 0.981 0.000) 4.971 13.313 ( -0.021 3.710 0.000) 3.710 13.313 ( 0.021 3.710 0.000) 3.710 13.470 ( -0.085 1.395 0.000) 1.397 13.470 ( 0.085 1.395 0.000) 1.397 13.889 ( -8.867 2.216 0.000) 9.140 13.889 ( 8.867 2.216 0.000) 9.140 13.992 ( -8.264 3.321 0.000) 8.906 13.992 ( 8.264 3.321 0.000) 8.906 14.071 ( -2.965 0.701 0.000) 3.047 14.071 ( 2.965 0.701 0.000) 3.047 14.274 ( -1.648 1.367 0.000) 2.141 14.274 ( 1.648 1.367 0.000) 2.141 14.393 ( -6.086 3.426 0.000) 6.984 14.393 ( 6.086 3.426 0.000) 6.984 14.755 ( -2.890 1.286 0.000) 3.163 14.755 ( 2.890 1.286 0.000) 3.163 14.819 ( -0.983 -2.141 0.000) 2.355 14.819 ( 0.983 -2.141 0.000) 2.355 14.961 ( -0.916 -0.662 0.000) 1.130 14.961 ( 0.916 -0.662 0.000) 1.130 15.604 ( -1.370 -0.665 0.000) 1.523 15.604 ( 1.370 -0.665 0.000) 1.523 15.809 ( -2.736 -2.569 0.000) 3.753 15.809 ( 2.736 -2.569 0.000) 3.753 16.015 ( -0.696 2.735 0.000) 2.823 16.015 ( 0.696 2.735 0.000) 2.823 16.195 ( -4.529 2.455 0.000) 5.152 16.195 ( 4.529 2.455 0.000) 5.152 16.260 ( -1.096 -1.726 0.000) 2.045 16.260 ( 1.096 -1.726 0.000) 2.045 16.420 ( -0.050 -3.236 0.000) 3.237 16.420 ( 0.050 -3.236 0.000) 3.237 16.527 ( -8.018 -3.409 0.000) 8.712 16.527 ( 8.018 -3.409 0.000) 8.712 16.570 ( -4.857 -3.543 0.000) 6.012 16.570 ( 4.857 -3.543 0.000) 6.012 16.746 ( -3.902 0.417 0.000) 3.925 16.746 ( 3.902 0.417 0.000) 3.925 16.868 ( -5.198 -2.703 0.000) 5.859 16.868 ( 5.198 -2.703 0.000) 5.859 16.880 ( -2.517 0.019 0.000) 2.518 16.880 ( 2.517 0.019 0.000) 2.518 16.999 ( -1.618 -2.217 0.000) 2.744 16.999 ( 1.618 -2.217 0.000) 2.744 17.241 ( -1.702 -3.377 0.000) 3.781 17.241 ( 1.702 -3.377 0.000) 3.781 17.468 ( -1.604 1.415 0.000) 2.139 17.468 ( 1.604 1.415 0.000) 2.139 17.567 ( -0.325 -3.914 0.000) 3.928 17.567 ( 0.325 -3.914 0.000) 3.928 17.602 ( -0.238 -3.482 0.000) 3.490 17.602 ( 0.238 -3.482 0.000) 3.490 18.011 ( -0.970 -3.883 0.000) 4.002 18.011 ( 0.970 -3.883 0.000) 4.002 18.084 ( -4.258 -1.337 0.000) 4.463 18.084 ( 4.258 -1.337 0.000) 4.463 18.128 ( -0.347 -5.628 0.000) 5.639 18.128 ( 0.347 -5.628 0.000) 5.639 18.219 ( -2.742 -3.268 0.000) 4.266 18.219 ( 2.742 -3.268 0.000) 4.266 18.526 ( -0.736 6.282 0.000) 6.325 18.526 ( 0.736 6.282 0.000) 6.325 18.669 ( -1.952 4.984 0.000) 5.353 18.669 ( 1.952 4.984 0.000) 5.353 18.841 ( -1.437 3.349 0.000) 3.644 18.841 ( 1.437 3.349 0.000) 3.644 18.891 ( -1.063 4.258 0.000) 4.389 18.891 ( 1.063 4.258 0.000) 4.389 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.119 ( 0.000 35.174 0.000) 35.174 2.512 ( 0.000 38.688 0.000) 38.688 3.450 ( 0.000 24.621 0.000) 24.621 3.463 ( 0.000 27.506 0.000) 27.506 3.511 ( 0.000 22.548 0.000) 22.548 3.548 ( 0.000 22.504 0.000) 22.504 3.615 ( 0.000 50.867 0.000) 50.867 4.238 ( 0.000 -22.143 0.000) 22.143 4.597 ( 0.000 -24.800 0.000) 24.800 4.740 ( 0.000 -14.586 0.000) 14.586 4.885 ( 0.000 -6.613 0.000) 6.613 4.940 ( 0.000 23.109 0.000) 23.109 5.004 ( 0.000 0.315 0.000) 0.315 5.219 ( 0.000 -1.242 0.000) 1.242 5.274 ( 0.000 8.908 0.000) 8.908 5.361 ( 0.000 -12.132 0.000) 12.132 5.453 ( 0.000 -7.902 0.000) 7.902 5.623 ( 0.000 -10.532 0.000) 10.532 5.666 ( 0.000 2.782 0.000) 2.782 5.883 ( 0.000 -1.828 0.000) 1.828 5.962 ( 0.000 -16.534 0.000) 16.534 6.222 ( 0.000 -16.596 0.000) 16.596 6.266 ( 0.000 -6.146 0.000) 6.146 6.432 ( 0.000 -4.494 0.000) 4.494 6.480 ( 0.000 -1.381 0.000) 1.381 6.708 ( 0.000 -3.695 0.000) 3.695 6.993 ( 0.000 0.318 0.000) 0.318 7.051 ( 0.000 11.426 0.000) 11.426 7.052 ( 0.000 -2.066 0.000) 2.066 7.600 ( 0.000 -0.835 0.000) 0.835 7.801 ( 0.000 -7.328 0.000) 7.328 7.866 ( 0.000 -2.074 0.000) 2.074 7.896 ( 0.000 6.545 0.000) 6.545 7.973 ( 0.000 9.661 0.000) 9.661 8.000 ( 0.000 -1.670 0.000) 1.670 8.004 ( 0.000 11.916 0.000) 11.916 8.045 ( 0.000 -1.027 0.000) 1.027 8.225 ( 0.000 -1.415 0.000) 1.415 8.265 ( 0.000 2.745 0.000) 2.745 8.427 ( 0.000 1.666 0.000) 1.666 8.504 ( 0.000 -9.227 0.000) 9.227 8.566 ( 0.000 -8.871 0.000) 8.871 8.585 ( 0.000 1.551 0.000) 1.551 8.612 ( 0.000 -7.712 0.000) 7.712 8.713 ( 0.000 -10.548 0.000) 10.548 8.724 ( 0.000 -8.455 0.000) 8.455 9.047 ( 0.000 -8.358 0.000) 8.358 9.093 ( 0.000 -6.735 0.000) 6.735 12.796 ( 0.000 5.590 0.000) 5.590 12.860 ( 0.000 6.395 0.000) 6.395 12.899 ( 0.000 6.137 0.000) 6.137 12.961 ( 0.000 0.647 0.000) 0.647 12.997 ( 0.000 4.115 0.000) 4.115 13.080 ( 0.000 7.184 0.000) 7.184 13.131 ( 0.000 -1.144 0.000) 1.144 13.195 ( 0.000 6.267 0.000) 6.267 13.328 ( 0.000 4.462 0.000) 4.462 13.438 ( 0.000 -1.688 0.000) 1.688 13.452 ( 0.000 5.458 0.000) 5.458 13.650 ( 0.000 7.956 0.000) 7.956 13.744 ( 0.000 6.976 0.000) 6.976 13.859 ( 0.000 -2.450 0.000) 2.450 13.919 ( 0.000 -7.507 0.000) 7.507 14.036 ( 0.000 0.753 0.000) 0.753 14.238 ( 0.000 -7.677 0.000) 7.677 14.485 ( 0.000 -9.660 0.000) 9.660 14.501 ( 0.000 3.905 0.000) 3.905 14.533 ( 0.000 4.093 0.000) 4.093 14.657 ( 0.000 8.414 0.000) 8.414 14.739 ( 0.000 -3.039 0.000) 3.039 14.810 ( 0.000 -4.845 0.000) 4.845 15.054 ( 0.000 -2.550 0.000) 2.550 15.596 ( 0.000 4.268 0.000) 4.268 15.882 ( 0.000 -0.099 0.000) 0.099 15.958 ( 0.000 -2.651 0.000) 2.651 15.986 ( 0.000 -6.102 0.000) 6.102 16.022 ( 0.000 -0.044 0.000) 0.044 16.138 ( 0.000 -2.304 0.000) 2.304 16.232 ( 0.000 2.263 0.000) 2.263 16.294 ( 0.000 -0.361 0.000) 0.361 16.375 ( 0.000 0.325 0.000) 0.325 16.422 ( 0.000 6.441 0.000) 6.441 16.483 ( 0.000 -5.323 0.000) 5.323 16.598 ( 0.000 3.834 0.000) 3.834 16.617 ( 0.000 4.990 0.000) 4.990 16.687 ( 0.000 -0.419 0.000) 0.419 16.760 ( 0.000 2.386 0.000) 2.386 16.800 ( 0.000 -2.891 0.000) 2.891 16.869 ( 0.000 -1.758 0.000) 1.758 16.974 ( 0.000 0.220 0.000) 0.220 17.006 ( 0.000 -2.772 0.000) 2.772 17.009 ( 0.000 0.388 0.000) 0.388 17.018 ( 0.000 -0.809 0.000) 0.809 17.059 ( 0.000 -6.317 0.000) 6.317 17.214 ( 0.000 -5.995 0.000) 5.995 17.253 ( 0.000 -4.012 0.000) 4.012 17.384 ( 0.000 0.306 0.000) 0.306 17.465 ( 0.000 -3.920 0.000) 3.920 17.502 ( 0.000 -4.818 0.000) 4.818 17.521 ( 0.000 4.132 0.000) 4.132 17.555 ( 0.000 -3.610 0.000) 3.610 17.610 ( 0.000 -0.031 0.000) 0.031 17.732 ( 0.000 0.749 0.000) 0.749 17.783 ( 0.000 2.941 0.000) 2.941 17.787 ( 0.000 -1.138 0.000) 1.138 17.918 ( 0.000 -1.356 0.000) 1.356 17.946 ( 0.000 -0.934 0.000) 0.934 17.989 ( 0.000 -0.332 0.000) 0.332 18.113 ( 0.000 -2.681 0.000) 2.681 18.166 ( 0.000 -2.794 0.000) 2.794 18.298 ( 0.000 -0.505 0.000) 0.505 18.382 ( 0.000 -5.305 0.000) 5.305 18.838 ( 0.000 2.062 0.000) 2.062 18.860 ( 0.000 3.498 0.000) 3.498 18.860 ( 0.000 5.179 0.000) 5.179 18.860 ( 0.000 3.575 0.000) 3.575 18.981 ( 0.000 1.008 0.000) 1.008 19.017 ( 0.000 0.824 0.000) 0.824 19.023 ( 0.000 0.564 0.000) 0.564 19.063 ( 0.000 -0.186 0.000) 0.186 ======================= Grid point 34 (20/60) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 11.125 33.926 0.000) 35.704 2.685 ( 16.509 35.815 0.000) 39.437 3.508 ( 2.522 20.441 0.000) 20.596 3.510 ( 6.566 22.588 0.000) 23.523 3.563 ( 9.547 27.922 0.000) 29.509 3.675 ( 10.173 22.544 0.000) 24.732 3.751 ( 13.856 45.713 0.000) 47.767 4.288 ( 4.869 -21.386 0.000) 21.933 4.643 ( 0.201 -19.324 0.000) 19.325 4.722 ( 3.921 -17.263 0.000) 17.703 4.853 ( -1.120 -1.945 0.000) 2.244 5.001 ( 3.384 12.168 0.000) 12.630 5.109 ( 9.100 -2.109 0.000) 9.341 5.209 ( 1.429 1.445 0.000) 2.032 5.358 ( 7.197 6.032 0.000) 9.391 5.374 ( 0.696 -10.679 0.000) 10.701 5.545 ( 8.223 -3.903 0.000) 9.103 5.617 ( -0.020 -7.616 0.000) 7.616 5.669 ( 0.444 1.638 0.000) 1.697 5.838 ( -4.493 -1.875 0.000) 4.868 5.961 ( -0.293 -15.952 0.000) 15.954 6.156 ( -5.684 -12.280 0.000) 13.532 6.285 ( 1.251 -8.548 0.000) 8.639 6.401 ( -4.377 -0.187 0.000) 4.381 6.443 ( -2.367 -4.386 0.000) 4.984 6.662 ( -4.607 -1.978 0.000) 5.014 6.991 ( -0.339 0.515 0.000) 0.616 7.037 ( -1.301 7.503 0.000) 7.615 7.092 ( 3.797 -2.192 0.000) 4.384 7.601 ( -0.409 -1.114 0.000) 1.186 7.761 ( -14.055 7.947 0.000) 16.146 7.780 ( -2.395 -5.981 0.000) 6.442 7.858 ( -9.990 7.804 0.000) 12.677 7.860 ( -4.356 2.092 0.000) 4.832 7.881 ( -0.937 -0.316 0.000) 0.989 7.945 ( -6.066 -12.743 0.000) 14.113 8.130 ( 8.505 10.976 0.000) 13.886 8.332 ( -0.433 3.710 0.000) 3.735 8.349 ( 4.471 2.800 0.000) 5.275 8.362 ( -0.524 3.296 0.000) 3.338 8.441 ( -4.410 -13.104 0.000) 13.826 8.465 ( -6.510 -9.060 0.000) 11.157 8.596 ( 0.901 1.442 0.000) 1.700 8.674 ( 5.212 -6.433 0.000) 8.280 8.720 ( -0.505 -8.368 0.000) 8.383 8.774 ( 2.886 -6.421 0.000) 7.040 8.981 ( -10.481 -6.356 0.000) 12.258 9.045 ( -0.338 -8.067 0.000) 8.074 12.814 ( 1.913 5.610 0.000) 5.927 12.908 ( 4.483 6.083 0.000) 7.556 12.934 ( 3.549 5.456 0.000) 6.509 13.005 ( 4.289 0.850 0.000) 4.372 13.040 ( 4.102 4.418 0.000) 6.029 13.098 ( 2.166 6.788 0.000) 7.125 13.175 ( 4.384 -1.173 0.000) 4.539 13.223 ( 2.774 5.846 0.000) 6.470 13.362 ( 3.558 4.188 0.000) 5.496 13.469 ( 1.693 5.452 0.000) 5.709 13.484 ( 4.520 -0.737 0.000) 4.579 13.708 ( 5.612 6.328 0.000) 8.458 13.783 ( 3.978 6.778 0.000) 7.859 13.874 ( 1.835 -2.059 0.000) 2.758 13.932 ( 1.376 -7.128 0.000) 7.260 14.102 ( 6.127 0.565 0.000) 6.153 14.242 ( 0.481 -6.494 0.000) 6.512 14.509 ( 2.481 -8.617 0.000) 8.967 14.535 ( 3.212 3.266 0.000) 4.581 14.562 ( 2.826 3.494 0.000) 4.494 14.689 ( 2.940 6.977 0.000) 7.571 14.746 ( 0.686 -2.441 0.000) 2.535 14.815 ( 0.604 -4.462 0.000) 4.503 15.056 ( 0.176 -2.343 0.000) 2.350 15.602 ( 0.530 4.190 0.000) 4.224 15.866 ( -1.383 0.163 0.000) 1.393 15.911 ( -5.675 -1.913 0.000) 5.989 15.953 ( -0.642 -2.183 0.000) 2.275 16.032 ( -0.441 -3.429 0.000) 3.458 16.073 ( -5.132 -1.362 0.000) 5.310 16.209 ( -2.014 1.726 0.000) 2.653 16.318 ( 2.019 -0.087 0.000) 2.020 16.345 ( -7.256 6.289 0.000) 9.602 16.397 ( 1.102 -0.831 0.000) 1.380 16.477 ( -1.769 -3.834 0.000) 4.222 16.557 ( -2.748 0.855 0.000) 2.877 16.612 ( -0.472 4.732 0.000) 4.755 16.649 ( -3.650 -0.007 0.000) 3.650 16.737 ( -2.169 0.769 0.000) 2.302 16.770 ( -3.056 -1.701 0.000) 3.497 16.829 ( -3.632 -1.885 0.000) 4.092 16.949 ( -2.520 0.919 0.000) 2.682 16.987 ( -0.161 -1.242 0.000) 1.252 16.996 ( -2.181 -1.231 0.000) 2.505 17.048 ( 1.699 -2.313 0.000) 2.870 17.051 ( -0.941 -6.442 0.000) 6.510 17.200 ( -1.824 -4.850 0.000) 5.181 17.225 ( -2.733 -4.488 0.000) 5.255 17.352 ( -2.723 0.776 0.000) 2.832 17.472 ( 0.141 -2.700 0.000) 2.704 17.475 ( -2.274 -2.666 0.000) 3.504 17.544 ( 2.189 1.589 0.000) 2.705 17.585 ( 1.515 -3.353 0.000) 3.680 17.615 ( 0.532 -0.412 0.000) 0.673 17.714 ( -1.032 0.163 0.000) 1.045 17.755 ( -3.130 -1.023 0.000) 3.293 17.786 ( 0.318 2.421 0.000) 2.442 17.917 ( 0.036 -1.408 0.000) 1.409 17.935 ( -1.043 -0.945 0.000) 1.408 17.987 ( -0.156 -0.767 0.000) 0.783 18.097 ( -0.863 -1.763 0.000) 1.963 18.201 ( 2.335 -3.920 0.000) 4.563 18.290 ( -0.659 -0.760 0.000) 1.006 18.388 ( 0.286 -5.391 0.000) 5.398 18.802 ( -2.851 2.726 0.000) 3.944 18.812 ( -2.857 4.764 0.000) 5.555 18.871 ( 0.376 2.775 0.000) 2.800 18.874 ( -0.699 3.742 0.000) 3.807 18.947 ( -2.899 1.718 0.000) 3.370 18.990 ( -2.225 1.444 0.000) 2.653 19.019 ( -0.696 0.929 0.000) 1.161 19.052 ( -1.199 0.038 0.000) 1.200 ======================= Grid point 35 (21/60) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 19.862 30.715 0.000) 36.578 3.083 ( 22.563 30.305 0.000) 37.782 3.622 ( 8.999 17.038 0.000) 19.269 3.692 ( 11.517 20.629 0.000) 23.626 3.821 ( 16.594 25.348 0.000) 30.297 3.923 ( 15.063 20.076 0.000) 25.098 4.145 ( 25.797 30.663 0.000) 40.071 4.407 ( 6.508 -18.846 0.000) 19.938 4.577 ( -4.134 -8.397 0.000) 9.360 4.864 ( 2.395 -6.020 0.000) 6.479 4.940 ( 15.442 -19.806 0.000) 25.115 5.046 ( 2.197 6.926 0.000) 7.266 5.300 ( 8.766 -6.999 0.000) 11.217 5.302 ( 6.872 4.032 0.000) 7.967 5.354 ( -3.027 -7.683 0.000) 8.258 5.487 ( 4.224 -2.038 0.000) 4.690 5.648 ( 1.930 -9.060 0.000) 9.263 5.700 ( 4.258 9.699 0.000) 10.593 5.720 ( -5.615 0.656 0.000) 5.653 5.764 ( 13.082 2.730 0.000) 13.364 5.956 ( 0.650 -15.144 0.000) 15.158 6.019 ( -8.156 -7.666 0.000) 11.193 6.252 ( -9.839 2.990 0.000) 10.283 6.322 ( 2.669 -8.972 0.000) 9.361 6.403 ( -2.576 -5.278 0.000) 5.873 6.542 ( -7.287 -0.229 0.000) 7.291 6.970 ( -2.007 2.325 0.000) 3.071 6.999 ( -2.801 1.840 0.000) 3.351 7.189 ( 5.990 -2.888 0.000) 6.650 7.457 ( -15.736 4.692 0.000) 16.421 7.541 ( -6.647 -3.754 0.000) 7.634 7.644 ( -9.657 3.371 0.000) 10.229 7.710 ( -10.578 -0.530 0.000) 10.591 7.731 ( -4.057 -3.377 0.000) 5.279 7.855 ( -5.031 -0.100 0.000) 5.032 7.872 ( 0.289 -9.793 0.000) 9.797 8.130 ( -10.640 5.852 0.000) 12.143 8.255 ( -8.612 -11.130 0.000) 14.073 8.335 ( 11.253 10.200 0.000) 15.187 8.352 ( -3.320 -11.759 0.000) 12.218 8.467 ( 0.435 0.120 0.000) 0.451 8.494 ( 4.513 3.517 0.000) 5.721 8.536 ( -11.441 -2.877 0.000) 11.798 8.677 ( -1.314 -2.225 0.000) 2.584 8.733 ( -0.614 -3.403 0.000) 3.458 8.776 ( -5.678 -1.736 0.000) 5.938 8.843 ( 5.001 -3.569 0.000) 6.144 9.049 ( 0.513 -6.607 0.000) 6.627 12.872 ( 4.023 5.551 0.000) 6.856 13.005 ( 4.744 5.670 0.000) 7.393 13.033 ( 6.341 4.030 0.000) 7.513 13.112 ( 6.202 0.813 0.000) 6.255 13.136 ( 5.420 5.487 0.000) 7.712 13.176 ( 5.504 4.782 0.000) 7.292 13.289 ( 6.822 -1.431 0.000) 6.970 13.301 ( 5.094 4.220 0.000) 6.615 13.469 ( 7.432 4.458 0.000) 8.666 13.517 ( 3.348 6.025 0.000) 6.893 13.603 ( 7.483 0.247 0.000) 7.487 13.851 ( 8.507 3.336 0.000) 9.138 13.890 ( 6.682 5.914 0.000) 8.923 13.935 ( 4.277 -1.421 0.000) 4.507 13.973 ( 2.759 -5.971 0.000) 6.577 14.245 ( 7.780 0.890 0.000) 7.830 14.257 ( 1.041 -4.159 0.000) 4.288 14.576 ( 4.146 -6.970 0.000) 8.110 14.612 ( 4.308 2.722 0.000) 5.096 14.631 ( 3.633 1.685 0.000) 4.004 14.731 ( 0.279 -0.215 0.000) 0.353 14.785 ( 3.932 3.787 0.000) 5.459 14.834 ( 1.287 -3.586 0.000) 3.810 15.054 ( -0.641 -1.619 0.000) 1.741 15.600 ( -1.444 3.321 0.000) 3.621 15.816 ( -2.816 -0.160 0.000) 2.821 15.832 ( -2.321 0.765 0.000) 2.444 15.939 ( -0.158 -1.366 0.000) 1.375 15.957 ( -4.246 -1.290 0.000) 4.438 16.033 ( -0.721 -1.600 0.000) 1.755 16.136 ( -7.679 2.644 0.000) 8.121 16.205 ( -3.898 3.619 0.000) 5.319 16.349 ( 0.633 -0.374 0.000) 0.735 16.395 ( -1.147 -1.896 0.000) 2.216 16.399 ( -4.884 0.494 0.000) 4.909 16.511 ( -3.026 -5.357 0.000) 6.153 16.558 ( -5.225 0.560 0.000) 5.254 16.605 ( -0.053 3.043 0.000) 3.044 16.684 ( -5.776 -0.261 0.000) 5.782 16.688 ( -2.607 -1.771 0.000) 3.151 16.756 ( -3.268 -2.031 0.000) 3.848 16.889 ( -3.347 1.537 0.000) 3.683 16.934 ( -4.049 -1.395 0.000) 4.283 16.980 ( -1.031 -1.236 0.000) 1.610 17.024 ( -1.693 -6.904 0.000) 7.109 17.056 ( -1.167 -4.227 0.000) 4.385 17.142 ( -3.564 -3.212 0.000) 4.798 17.157 ( -4.057 -4.667 0.000) 6.183 17.295 ( -3.183 1.653 0.000) 3.587 17.415 ( -3.878 -0.456 0.000) 3.905 17.459 ( -1.375 -1.363 0.000) 1.936 17.565 ( -3.063 -1.306 0.000) 3.330 17.585 ( 1.394 -1.939 0.000) 2.388 17.625 ( -0.138 -0.451 0.000) 0.471 17.676 ( -4.618 -1.199 0.000) 4.771 17.736 ( 3.361 -1.650 0.000) 3.745 17.792 ( -0.229 1.027 0.000) 1.052 17.911 ( -1.126 -0.832 0.000) 1.400 17.920 ( 0.158 -1.983 0.000) 1.989 17.988 ( 0.403 -1.780 0.000) 1.825 18.087 ( -0.110 -1.319 0.000) 1.323 18.227 ( -0.095 -4.626 0.000) 4.627 18.274 ( -1.135 -1.487 0.000) 1.870 18.378 ( -1.686 -5.257 0.000) 5.521 18.738 ( -3.404 4.020 0.000) 5.267 18.757 ( -2.624 5.189 0.000) 5.815 18.822 ( -3.875 3.463 0.000) 5.196 18.861 ( -1.572 1.810 0.000) 2.398 18.902 ( -1.541 2.945 0.000) 3.324 18.951 ( -1.246 3.275 0.000) 3.504 18.996 ( -1.563 1.182 0.000) 1.960 19.019 ( -1.987 0.331 0.000) 2.014 ======================= Grid point 36 (22/60) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 24.504 26.466 0.000) 36.069 3.515 ( 21.245 23.053 0.000) 31.349 3.843 ( 13.169 13.017 0.000) 18.517 3.935 ( 12.764 18.851 0.000) 22.766 4.192 ( 20.842 20.400 0.000) 29.164 4.250 ( 18.088 15.178 0.000) 23.612 4.425 ( -4.778 -3.464 0.000) 5.902 4.500 ( 2.032 -12.462 0.000) 12.626 4.788 ( 31.595 16.464 0.000) 35.628 4.939 ( 4.638 -6.130 0.000) 7.687 5.120 ( 5.484 4.058 0.000) 6.823 5.217 ( -0.232 1.570 0.000) 1.587 5.310 ( 11.207 -19.264 0.000) 22.287 5.399 ( 0.371 -9.299 0.000) 9.306 5.402 ( 0.888 -3.777 0.000) 3.880 5.507 ( -1.084 4.610 0.000) 4.735 5.641 ( 0.764 -1.835 0.000) 1.988 5.656 ( 0.001 -1.303 0.000) 1.303 5.822 ( 4.876 2.899 0.000) 5.672 5.844 ( -9.231 -3.001 0.000) 9.707 6.020 ( 1.484 -5.009 0.000) 5.224 6.060 ( 14.433 3.141 0.000) 14.770 6.080 ( -1.777 -4.017 0.000) 4.392 6.320 ( -5.300 -1.775 0.000) 5.590 6.373 ( 1.740 -8.737 0.000) 8.909 6.414 ( -4.125 -0.999 0.000) 4.244 6.913 ( -3.474 4.367 0.000) 5.580 6.922 ( -4.956 -1.847 0.000) 5.289 7.191 ( -9.737 -0.672 0.000) 9.760 7.321 ( 6.322 -3.395 0.000) 7.176 7.367 ( -9.988 -7.573 0.000) 12.534 7.449 ( -15.863 -3.366 0.000) 16.216 7.479 ( -7.076 0.371 0.000) 7.086 7.602 ( -18.096 0.003 0.000) 18.096 7.686 ( 0.081 0.090 0.000) 0.121 7.910 ( 1.175 -7.714 0.000) 7.803 8.031 ( -11.141 -1.518 0.000) 11.244 8.075 ( -17.076 -1.279 0.000) 17.123 8.111 ( -4.849 -10.470 0.000) 11.538 8.294 ( -3.730 -5.303 0.000) 6.483 8.494 ( -2.700 1.473 0.000) 3.076 8.518 ( 4.942 6.118 0.000) 7.865 8.557 ( 1.573 2.462 0.000) 2.922 8.651 ( -1.414 -2.691 0.000) 3.040 8.708 ( 1.385 3.531 0.000) 3.793 8.773 ( 3.299 3.958 0.000) 5.152 8.933 ( 3.491 -0.956 0.000) 3.619 9.055 ( -0.152 -3.449 0.000) 3.453 12.968 ( 5.728 5.105 0.000) 7.673 13.089 ( 4.165 4.910 0.000) 6.438 13.166 ( 6.748 1.462 0.000) 6.904 13.227 ( 5.315 1.606 0.000) 5.553 13.238 ( 4.066 3.701 0.000) 5.498 13.273 ( 4.165 4.110 0.000) 5.852 13.410 ( 4.795 -1.707 0.000) 5.090 13.411 ( 5.618 2.555 0.000) 6.172 13.614 ( 7.079 7.085 0.000) 10.016 13.649 ( 10.778 5.112 0.000) 11.929 13.765 ( 8.863 0.925 0.000) 8.911 14.015 ( 4.511 -0.969 0.000) 4.614 14.023 ( 8.728 1.002 0.000) 8.785 14.030 ( 5.011 -0.656 0.000) 5.053 14.046 ( 5.609 1.286 0.000) 5.754 14.277 ( 0.749 -1.885 0.000) 2.028 14.369 ( 4.151 2.447 0.000) 4.819 14.657 ( 3.710 -5.178 0.000) 6.370 14.661 ( -1.747 0.403 0.000) 1.793 14.692 ( 3.804 2.242 0.000) 4.416 14.731 ( 0.721 -1.092 0.000) 1.309 14.865 ( 1.864 -2.735 0.000) 3.310 14.869 ( 3.965 3.532 0.000) 5.310 15.023 ( -2.607 -0.383 0.000) 2.635 15.551 ( -2.291 2.178 0.000) 3.162 15.762 ( -4.811 1.588 0.000) 5.067 15.790 ( -1.404 -2.329 0.000) 2.719 15.939 ( -4.630 -3.153 0.000) 5.602 15.944 ( 3.422 1.359 0.000) 3.682 16.000 ( 0.321 4.051 0.000) 4.064 16.027 ( 0.760 0.266 0.000) 0.806 16.170 ( -0.600 1.661 0.000) 1.766 16.321 ( -3.275 -1.220 0.000) 3.495 16.324 ( -2.415 1.533 0.000) 2.861 16.374 ( -0.807 -2.358 0.000) 2.492 16.430 ( -4.799 -6.599 0.000) 8.160 16.463 ( -4.130 -0.656 0.000) 4.181 16.553 ( -7.281 0.142 0.000) 7.282 16.616 ( 0.622 -2.358 0.000) 2.439 16.645 ( -0.879 0.259 0.000) 0.916 16.694 ( -3.672 -2.954 0.000) 4.712 16.835 ( -1.885 1.795 0.000) 2.603 16.849 ( -4.423 -0.380 0.000) 4.439 16.931 ( -4.001 -0.959 0.000) 4.114 16.991 ( -1.779 -6.819 0.000) 7.047 17.012 ( -2.622 -4.783 0.000) 5.454 17.073 ( -4.269 -3.125 0.000) 5.291 17.074 ( -3.949 -3.561 0.000) 5.317 17.228 ( -3.251 2.670 0.000) 4.207 17.329 ( -4.749 0.037 0.000) 4.749 17.435 ( -0.604 -1.011 0.000) 1.177 17.499 ( -3.150 -2.665 0.000) 4.125 17.583 ( -2.876 -3.495 0.000) 4.527 17.590 ( -2.694 -2.145 0.000) 3.444 17.605 ( -1.924 1.134 0.000) 2.233 17.743 ( -4.961 -0.590 0.000) 4.996 17.820 ( 4.874 -2.027 0.000) 5.278 17.898 ( -0.115 -1.104 0.000) 1.110 17.931 ( 1.030 -3.147 0.000) 3.311 18.002 ( 0.965 -2.695 0.000) 2.862 18.093 ( 0.521 -1.227 0.000) 1.333 18.197 ( -2.575 -3.791 0.000) 4.583 18.241 ( -2.330 -2.107 0.000) 3.141 18.312 ( -4.980 -4.277 0.000) 6.564 18.684 ( -1.989 5.615 0.000) 5.957 18.709 ( -2.389 5.378 0.000) 5.885 18.764 ( -1.544 4.901 0.000) 5.139 18.822 ( -1.916 2.496 0.000) 3.147 18.878 ( -0.872 2.361 0.000) 2.516 18.942 ( -0.100 2.973 0.000) 2.974 18.961 ( -1.930 1.491 0.000) 2.439 18.983 ( -1.555 0.568 0.000) 1.655 ======================= Grid point 37 (23/60) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 24.070 21.232 0.000) 32.096 3.898 ( 17.640 13.356 0.000) 22.125 4.103 ( 12.249 8.299 0.000) 14.796 4.113 ( -0.181 12.016 0.000) 12.017 4.312 ( -0.734 9.020 0.000) 9.050 4.460 ( -5.184 -2.022 0.000) 5.564 4.611 ( 17.367 9.363 0.000) 19.730 4.623 ( 22.000 15.523 0.000) 26.925 4.998 ( 0.033 0.461 0.000) 0.462 5.028 ( -9.004 3.998 0.000) 9.851 5.221 ( 3.565 4.449 0.000) 5.702 5.283 ( -8.508 0.126 0.000) 8.509 5.395 ( 0.508 -4.209 0.000) 4.240 5.396 ( 13.514 -0.286 0.000) 13.517 5.433 ( -6.135 1.895 0.000) 6.421 5.585 ( 4.053 -12.113 0.000) 12.773 5.718 ( 18.055 2.766 0.000) 18.266 5.727 ( 0.714 -3.048 0.000) 3.130 5.743 ( 6.783 0.010 0.000) 6.783 5.891 ( 4.092 2.384 0.000) 4.736 5.919 ( -5.986 -6.415 0.000) 8.774 6.108 ( -4.378 -9.918 0.000) 10.841 6.230 ( 0.744 -2.583 0.000) 2.688 6.317 ( 8.636 1.895 0.000) 8.842 6.364 ( -2.961 -7.527 0.000) 8.088 6.509 ( 13.621 -2.737 0.000) 13.893 6.833 ( -2.348 -3.571 0.000) 4.274 6.887 ( 2.435 -0.948 0.000) 2.613 7.016 ( -16.368 -2.093 0.000) 16.502 7.130 ( -10.467 -0.318 0.000) 10.472 7.186 ( -8.448 -10.275 0.000) 13.302 7.253 ( -13.949 -7.597 0.000) 15.884 7.357 ( -5.675 -1.683 0.000) 5.919 7.445 ( -14.400 -3.058 0.000) 14.721 7.502 ( -7.001 -3.227 0.000) 7.709 7.730 ( 2.276 4.473 0.000) 5.019 7.862 ( -3.062 -10.893 0.000) 11.315 8.074 ( 1.130 1.462 0.000) 1.848 8.098 ( 1.687 -1.231 0.000) 2.089 8.174 ( -8.638 3.469 0.000) 9.309 8.440 ( -1.489 -0.749 0.000) 1.667 8.491 ( -3.863 1.053 0.000) 4.004 8.579 ( 0.857 1.092 0.000) 1.388 8.627 ( -1.400 -2.175 0.000) 2.587 8.825 ( 7.556 6.811 0.000) 10.172 8.852 ( 4.323 4.615 0.000) 6.324 8.968 ( 0.085 1.808 0.000) 1.810 9.034 ( -2.213 0.381 0.000) 2.245 13.087 ( 6.122 4.030 0.000) 7.330 13.170 ( 3.953 3.110 0.000) 5.030 13.253 ( 1.501 -1.339 0.000) 2.012 13.260 ( -1.356 1.540 0.000) 2.052 13.329 ( 5.064 3.909 0.000) 6.397 13.353 ( 3.532 4.534 0.000) 5.747 13.470 ( 1.763 -0.387 0.000) 1.805 13.489 ( 2.017 1.285 0.000) 2.391 13.784 ( 9.502 5.912 0.000) 11.191 13.869 ( 10.997 4.773 0.000) 11.988 13.928 ( 6.943 1.600 0.000) 7.125 14.069 ( 1.432 -2.296 0.000) 2.706 14.092 ( 0.851 0.934 0.000) 1.264 14.140 ( 1.902 3.755 0.000) 4.209 14.186 ( 7.450 -0.405 0.000) 7.461 14.287 ( 0.701 -0.193 0.000) 0.727 14.413 ( 1.580 4.541 0.000) 4.808 14.582 ( -5.491 2.415 0.000) 5.998 14.709 ( 1.625 -3.828 0.000) 4.159 14.742 ( -0.052 -2.412 0.000) 2.413 14.761 ( 3.200 1.829 0.000) 3.685 14.898 ( -2.312 2.096 0.000) 3.120 14.903 ( 2.000 -1.985 0.000) 2.818 14.971 ( -1.626 0.060 0.000) 1.627 15.547 ( 1.925 1.171 0.000) 2.253 15.669 ( -4.044 1.853 0.000) 4.449 15.757 ( -1.548 -3.077 0.000) 3.445 15.824 ( -5.186 -2.632 0.000) 5.816 16.029 ( 3.742 1.483 0.000) 4.025 16.062 ( 2.410 1.530 0.000) 2.855 16.096 ( 6.341 1.347 0.000) 6.482 16.193 ( 2.833 0.193 0.000) 2.839 16.255 ( -2.791 -1.040 0.000) 2.979 16.304 ( 0.274 1.572 0.000) 1.595 16.343 ( -4.218 -4.208 0.000) 5.958 16.362 ( -0.679 -5.968 0.000) 6.007 16.410 ( -0.597 -0.624 0.000) 0.864 16.427 ( -4.111 -2.057 0.000) 4.597 16.576 ( -4.145 -6.104 0.000) 7.378 16.599 ( -6.195 -4.599 0.000) 7.716 16.694 ( 4.247 1.987 0.000) 4.689 16.783 ( -1.407 0.914 0.000) 1.678 16.808 ( -1.400 1.194 0.000) 1.840 16.860 ( -2.358 -0.420 0.000) 2.395 16.941 ( -3.325 -3.404 0.000) 4.759 16.953 ( -4.109 -1.935 0.000) 4.542 16.983 ( -4.017 -3.479 0.000) 5.314 17.003 ( -2.905 -2.184 0.000) 3.634 17.189 ( -0.622 1.449 0.000) 1.576 17.243 ( -3.625 -0.578 0.000) 3.671 17.444 ( 1.432 -0.620 0.000) 1.561 17.459 ( -0.719 -4.282 0.000) 4.342 17.515 ( -2.832 -3.477 0.000) 4.485 17.551 ( -1.856 -3.531 0.000) 3.989 17.551 ( -3.396 0.729 0.000) 3.473 17.629 ( -5.687 -0.691 0.000) 5.729 17.907 ( 0.895 -1.962 0.000) 2.157 17.918 ( 4.956 -3.088 0.000) 5.840 17.945 ( 0.139 -3.563 0.000) 3.566 18.022 ( 0.909 -3.512 0.000) 3.628 18.098 ( -0.167 -1.140 0.000) 1.153 18.151 ( -1.427 -2.300 0.000) 2.706 18.171 ( -5.194 -1.456 0.000) 5.394 18.215 ( -3.863 -3.067 0.000) 4.933 18.660 ( -0.584 6.321 0.000) 6.348 18.672 ( -1.302 5.804 0.000) 5.948 18.756 ( 0.366 5.241 0.000) 5.254 18.793 ( -1.211 3.603 0.000) 3.801 18.872 ( 0.304 1.571 0.000) 1.600 18.918 ( -1.840 1.253 0.000) 2.226 18.947 ( 0.136 2.266 0.000) 2.270 18.961 ( -0.753 0.910 0.000) 1.181 ======================= Grid point 38 (24/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -18.223 14.068 0.000) 23.022 3.879 ( 18.223 14.068 0.000) 23.022 4.185 ( -8.417 3.344 0.000) 9.057 4.185 ( 8.417 3.344 0.000) 9.057 4.366 ( -1.617 12.357 0.000) 12.462 4.366 ( 1.617 12.357 0.000) 12.462 4.868 ( -7.331 3.961 0.000) 8.333 4.868 ( 7.331 3.961 0.000) 8.333 4.989 ( -6.472 8.842 0.000) 10.958 4.989 ( 6.472 8.842 0.000) 10.958 5.111 ( -2.783 8.616 0.000) 9.054 5.111 ( 2.783 8.616 0.000) 9.054 5.407 ( -4.865 1.763 0.000) 5.174 5.407 ( 4.865 1.763 0.000) 5.174 5.510 ( -7.759 -5.967 0.000) 9.788 5.510 ( 7.759 -5.967 0.000) 9.788 5.834 ( -5.179 -4.203 0.000) 6.670 5.834 ( 5.179 -4.203 0.000) 6.670 5.863 ( -6.611 -6.644 0.000) 9.373 5.863 ( 6.611 -6.644 0.000) 9.373 6.123 ( -8.651 -5.672 0.000) 10.345 6.123 ( 8.651 -5.672 0.000) 10.345 6.200 ( -17.203 -5.444 0.000) 18.044 6.200 ( 17.203 -5.444 0.000) 18.044 6.617 ( -19.691 0.571 0.000) 19.699 6.617 ( 19.691 0.571 0.000) 19.699 6.786 ( -16.820 1.402 0.000) 16.878 6.786 ( 16.820 1.402 0.000) 16.878 6.973 ( -16.901 -6.996 0.000) 18.292 6.973 ( 16.901 -6.996 0.000) 18.292 7.024 ( -7.784 -9.808 0.000) 12.521 7.024 ( 7.784 -9.808 0.000) 12.521 7.256 ( -4.314 -2.334 0.000) 4.905 7.256 ( 4.314 -2.334 0.000) 4.905 7.641 ( -8.190 -4.454 0.000) 9.323 7.641 ( 8.190 -4.454 0.000) 9.323 7.960 ( -9.883 2.611 0.000) 10.222 7.960 ( 9.883 2.611 0.000) 10.222 8.113 ( -0.398 3.310 0.000) 3.334 8.113 ( 0.398 3.310 0.000) 3.334 8.440 ( -1.255 -0.582 0.000) 1.383 8.440 ( 1.255 -0.582 0.000) 1.383 8.598 ( -1.317 -1.111 0.000) 1.723 8.598 ( 1.317 -1.111 0.000) 1.723 8.920 ( -1.138 3.945 0.000) 4.106 8.920 ( 1.138 3.945 0.000) 4.106 8.970 ( -3.284 3.929 0.000) 5.121 8.970 ( 3.284 3.929 0.000) 5.121 13.193 ( -4.294 2.401 0.000) 4.919 13.193 ( 4.294 2.401 0.000) 4.919 13.241 ( -2.075 0.873 0.000) 2.251 13.241 ( 2.075 0.873 0.000) 2.251 13.389 ( -0.449 3.515 0.000) 3.544 13.389 ( 0.449 3.515 0.000) 3.544 13.495 ( -0.905 0.710 0.000) 1.150 13.495 ( 0.905 0.710 0.000) 1.150 13.945 ( -5.362 3.172 0.000) 6.230 13.945 ( 5.362 3.172 0.000) 6.230 14.050 ( -4.917 1.518 0.000) 5.146 14.050 ( 4.917 1.518 0.000) 5.146 14.106 ( -2.823 3.173 0.000) 4.248 14.106 ( 2.823 3.173 0.000) 4.248 14.287 ( -2.228 -0.298 0.000) 2.247 14.287 ( 2.228 -0.298 0.000) 2.247 14.474 ( -4.866 4.344 0.000) 6.523 14.474 ( 4.866 4.344 0.000) 6.523 14.731 ( -0.890 -3.243 0.000) 3.363 14.731 ( 0.890 -3.243 0.000) 3.363 14.823 ( -3.725 2.107 0.000) 4.280 14.823 ( 3.725 2.107 0.000) 4.280 14.942 ( -1.882 -1.174 0.000) 2.218 14.942 ( 1.882 -1.174 0.000) 2.218 15.605 ( -3.178 0.791 0.000) 3.275 15.605 ( 3.178 0.791 0.000) 3.275 15.752 ( -1.694 -2.756 0.000) 3.235 15.752 ( 1.694 -2.756 0.000) 3.235 16.076 ( -0.805 2.402 0.000) 2.533 16.076 ( 0.805 2.402 0.000) 2.533 16.213 ( -2.119 -1.750 0.000) 2.748 16.213 ( 2.119 -1.750 0.000) 2.748 16.241 ( -4.045 1.575 0.000) 4.341 16.241 ( 4.045 1.575 0.000) 4.341 16.335 ( -1.723 -4.801 0.000) 5.101 16.335 ( 1.723 -4.801 0.000) 5.101 16.461 ( -5.681 -3.227 0.000) 6.534 16.461 ( 5.681 -3.227 0.000) 6.534 16.470 ( -5.359 -4.965 0.000) 7.305 16.470 ( 5.359 -4.965 0.000) 7.305 16.767 ( -2.800 1.628 0.000) 3.239 16.767 ( 2.800 1.628 0.000) 3.239 16.818 ( -3.783 -1.321 0.000) 4.007 16.818 ( 3.783 -1.321 0.000) 4.007 16.890 ( -0.601 -0.126 0.000) 0.614 16.890 ( 0.601 -0.126 0.000) 0.614 16.959 ( -1.116 -1.757 0.000) 2.081 16.959 ( 1.116 -1.757 0.000) 2.081 17.197 ( -1.253 -0.299 0.000) 1.289 17.197 ( 1.253 -0.299 0.000) 1.289 17.468 ( -1.004 -4.370 0.000) 4.484 17.468 ( 1.004 -4.370 0.000) 4.484 17.489 ( -2.168 -0.826 0.000) 2.320 17.489 ( 2.168 -0.826 0.000) 2.320 17.549 ( -2.174 -1.546 0.000) 2.668 17.549 ( 2.174 -1.546 0.000) 2.668 17.929 ( -1.187 -3.248 0.000) 3.458 17.929 ( 1.187 -3.248 0.000) 3.458 18.011 ( -3.362 -4.255 0.000) 5.423 18.011 ( 3.362 -4.255 0.000) 5.423 18.093 ( -0.984 0.106 0.000) 0.989 18.093 ( 0.984 0.106 0.000) 0.989 18.159 ( -1.952 -2.448 0.000) 3.131 18.159 ( 1.952 -2.448 0.000) 3.131 18.657 ( -0.277 6.253 0.000) 6.260 18.657 ( 0.277 6.253 0.000) 6.260 18.771 ( -1.036 4.628 0.000) 4.743 18.771 ( 1.036 4.628 0.000) 4.743 18.888 ( -1.231 1.215 0.000) 1.729 18.888 ( 1.231 1.215 0.000) 1.729 18.951 ( -0.295 1.470 0.000) 1.499 18.951 ( 0.295 1.470 0.000) 1.499 ======================= Grid point 44 (25/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.839 ( 0.000 34.793 0.000) 34.793 3.276 ( 0.000 35.634 0.000) 35.634 3.515 ( 0.000 -28.829 0.000) 28.829 3.867 ( 0.000 3.925 0.000) 3.925 3.943 ( 0.000 18.608 0.000) 18.608 4.004 ( 0.000 21.427 0.000) 21.427 4.018 ( 0.000 -14.531 0.000) 14.531 4.106 ( 0.000 8.293 0.000) 8.293 4.432 ( 0.000 -12.156 0.000) 12.156 4.504 ( 0.000 13.076 0.000) 13.076 4.659 ( 0.000 -5.509 0.000) 5.509 4.824 ( 0.000 5.115 0.000) 5.115 4.900 ( 0.000 -21.136 0.000) 21.136 5.333 ( 0.000 5.293 0.000) 5.293 5.346 ( 0.000 -19.701 0.000) 19.701 5.425 ( 0.000 18.617 0.000) 18.617 5.437 ( 0.000 15.906 0.000) 15.906 5.555 ( 0.000 -19.281 0.000) 19.281 5.719 ( 0.000 6.979 0.000) 6.979 5.760 ( 0.000 -10.217 0.000) 10.217 5.885 ( 0.000 16.295 0.000) 16.295 5.902 ( 0.000 -6.864 0.000) 6.864 6.096 ( 0.000 -10.916 0.000) 10.916 6.221 ( 0.000 -14.545 0.000) 14.545 6.513 ( 0.000 3.616 0.000) 3.616 6.609 ( 0.000 -5.307 0.000) 5.307 7.001 ( 0.000 0.654 0.000) 0.654 7.020 ( 0.000 -1.141 0.000) 1.141 7.339 ( 0.000 15.508 0.000) 15.508 7.613 ( 0.000 2.796 0.000) 2.796 7.628 ( 0.000 -10.807 0.000) 10.807 7.746 ( 0.000 -11.280 0.000) 11.280 7.877 ( 0.000 3.537 0.000) 3.537 7.961 ( 0.000 -1.268 0.000) 1.268 8.189 ( 0.000 -1.675 0.000) 1.675 8.211 ( 0.000 12.512 0.000) 12.512 8.218 ( 0.000 -7.296 0.000) 7.296 8.231 ( 0.000 8.614 0.000) 8.614 8.244 ( 0.000 10.226 0.000) 10.226 8.329 ( 0.000 3.895 0.000) 3.895 8.414 ( 0.000 -5.009 0.000) 5.009 8.462 ( 0.000 -6.845 0.000) 6.845 8.471 ( 0.000 -12.323 0.000) 12.323 8.527 ( 0.000 -10.298 0.000) 10.298 8.593 ( 0.000 5.060 0.000) 5.060 8.625 ( 0.000 1.220 0.000) 1.220 8.918 ( 0.000 -3.046 0.000) 3.046 8.956 ( 0.000 -5.740 0.000) 5.740 12.896 ( 0.000 3.976 0.000) 3.976 12.953 ( 0.000 -1.523 0.000) 1.523 12.981 ( 0.000 4.879 0.000) 4.879 13.013 ( 0.000 4.805 0.000) 4.805 13.039 ( 0.000 -0.407 0.000) 0.407 13.092 ( 0.000 -2.801 0.000) 2.801 13.208 ( 0.000 4.831 0.000) 4.831 13.262 ( 0.000 -0.058 0.000) 0.058 13.398 ( 0.000 2.145 0.000) 2.145 13.419 ( 0.000 -0.338 0.000) 0.338 13.589 ( 0.000 7.640 0.000) 7.640 13.755 ( 0.000 -8.297 0.000) 8.297 13.768 ( 0.000 3.259 0.000) 3.259 13.813 ( 0.000 -1.948 0.000) 1.948 13.899 ( 0.000 8.091 0.000) 8.091 14.070 ( 0.000 -8.459 0.000) 8.459 14.108 ( 0.000 6.608 0.000) 6.608 14.284 ( 0.000 -9.701 0.000) 9.701 14.594 ( 0.000 5.054 0.000) 5.054 14.604 ( 0.000 3.237 0.000) 3.237 14.672 ( 0.000 -3.370 0.000) 3.370 14.703 ( 0.000 -5.423 0.000) 5.423 14.834 ( 0.000 8.141 0.000) 8.141 14.974 ( 0.000 -5.367 0.000) 5.367 15.707 ( 0.000 6.340 0.000) 6.340 15.847 ( 0.000 -7.096 0.000) 7.096 15.887 ( 0.000 0.652 0.000) 0.652 15.911 ( 0.000 -1.792 0.000) 1.792 16.040 ( 0.000 1.741 0.000) 1.741 16.087 ( 0.000 -2.626 0.000) 2.626 16.287 ( 0.000 3.183 0.000) 3.183 16.301 ( 0.000 1.146 0.000) 1.146 16.340 ( 0.000 -2.437 0.000) 2.437 16.366 ( 0.000 -4.612 0.000) 4.612 16.579 ( 0.000 7.228 0.000) 7.228 16.700 ( 0.000 5.702 0.000) 5.702 16.704 ( 0.000 1.886 0.000) 1.886 16.712 ( 0.000 -5.564 0.000) 5.564 16.734 ( 0.000 2.011 0.000) 2.011 16.785 ( 0.000 3.723 0.000) 3.723 16.809 ( 0.000 -4.335 0.000) 4.335 16.922 ( 0.000 -7.091 0.000) 7.091 16.974 ( 0.000 -0.060 0.000) 0.060 16.976 ( 0.000 -0.415 0.000) 0.415 17.030 ( 0.000 1.719 0.000) 1.719 17.057 ( 0.000 4.198 0.000) 4.198 17.094 ( 0.000 -4.825 0.000) 4.825 17.158 ( 0.000 -5.103 0.000) 5.103 17.384 ( 0.000 0.248 0.000) 0.248 17.406 ( 0.000 -1.933 0.000) 1.933 17.442 ( 0.000 -0.829 0.000) 0.829 17.468 ( 0.000 -3.182 0.000) 3.182 17.623 ( 0.000 5.356 0.000) 5.356 17.658 ( 0.000 3.141 0.000) 3.141 17.717 ( 0.000 -2.174 0.000) 2.174 17.727 ( 0.000 -4.421 0.000) 4.421 17.841 ( 0.000 2.549 0.000) 2.549 17.886 ( 0.000 -1.841 0.000) 1.841 17.952 ( 0.000 1.097 0.000) 1.097 17.975 ( 0.000 -1.001 0.000) 1.001 18.085 ( 0.000 0.109 0.000) 0.109 18.112 ( 0.000 -2.246 0.000) 2.246 18.288 ( 0.000 -0.194 0.000) 0.194 18.305 ( 0.000 -2.153 0.000) 2.153 18.883 ( 0.000 1.990 0.000) 1.990 18.902 ( 0.000 0.483 0.000) 0.483 18.924 ( 0.000 2.416 0.000) 2.416 18.940 ( 0.000 1.760 0.000) 1.760 18.997 ( 0.000 1.309 0.000) 1.309 19.026 ( 0.000 0.043 0.000) 0.043 19.026 ( 0.000 0.081 0.000) 0.081 19.040 ( 0.000 -1.985 0.000) 1.985 ======================= Grid point 45 (26/60) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 9.130 34.018 0.000) 35.222 3.402 ( 12.050 33.778 0.000) 35.863 3.593 ( 7.763 -28.227 0.000) 29.275 3.934 ( 6.004 14.567 0.000) 15.756 3.936 ( 0.418 17.962 0.000) 17.967 4.046 ( 6.427 -9.390 0.000) 11.379 4.132 ( 9.416 5.613 0.000) 10.962 4.164 ( 4.861 3.522 0.000) 6.003 4.411 ( 0.419 -8.214 0.000) 8.225 4.591 ( 7.148 10.465 0.000) 12.673 4.665 ( 1.667 0.102 0.000) 1.670 4.868 ( 4.317 1.384 0.000) 4.533 4.976 ( 6.579 -21.087 0.000) 22.090 5.305 ( -1.560 -9.535 0.000) 9.661 5.394 ( -1.739 18.389 0.000) 18.471 5.406 ( 4.646 -4.564 0.000) 6.513 5.484 ( 3.221 13.069 0.000) 13.460 5.573 ( 2.010 -16.887 0.000) 17.006 5.717 ( -3.144 -6.430 0.000) 7.158 5.755 ( 2.023 -2.674 0.000) 3.353 5.910 ( 2.322 15.452 0.000) 15.625 5.917 ( 1.793 -0.621 0.000) 1.898 6.107 ( 1.269 -9.781 0.000) 9.863 6.223 ( 0.199 -13.483 0.000) 13.485 6.476 ( -3.974 4.443 0.000) 5.961 6.582 ( -2.974 -5.327 0.000) 6.101 7.013 ( 1.175 1.688 0.000) 2.056 7.051 ( 2.963 -1.889 0.000) 3.514 7.274 ( -5.879 14.334 0.000) 15.493 7.554 ( -6.376 -8.546 0.000) 10.663 7.638 ( 1.170 -3.272 0.000) 3.475 7.701 ( -3.235 -7.410 0.000) 8.085 7.887 ( -0.864 2.854 0.000) 2.982 7.908 ( -10.919 4.428 0.000) 11.783 7.925 ( -10.228 3.649 0.000) 10.860 8.049 ( -11.672 9.129 0.000) 14.818 8.123 ( -4.871 -13.373 0.000) 14.232 8.233 ( -9.857 -8.698 0.000) 13.146 8.354 ( 7.180 9.355 0.000) 11.793 8.393 ( 6.178 4.121 0.000) 7.427 8.468 ( 6.815 3.569 0.000) 7.693 8.490 ( -2.978 -0.430 0.000) 3.009 8.543 ( 7.037 -5.083 0.000) 8.681 8.569 ( -0.796 -0.347 0.000) 0.868 8.626 ( -0.477 -0.804 0.000) 0.935 8.628 ( 5.873 -7.459 0.000) 9.494 8.869 ( -6.744 -3.045 0.000) 7.399 8.901 ( -1.322 -5.380 0.000) 5.540 12.917 ( 2.067 4.147 0.000) 4.633 12.977 ( 2.439 -1.457 0.000) 2.841 13.025 ( 4.141 4.793 0.000) 6.334 13.059 ( 4.419 4.306 0.000) 6.170 13.084 ( 4.275 -0.478 0.000) 4.301 13.135 ( 4.246 -2.822 0.000) 5.099 13.221 ( 1.522 4.739 0.000) 4.978 13.277 ( 1.699 -0.459 0.000) 1.760 13.438 ( 4.236 2.877 0.000) 5.121 13.472 ( 5.018 -0.642 0.000) 5.058 13.606 ( 1.839 7.657 0.000) 7.875 13.771 ( 1.714 -8.074 0.000) 8.254 13.802 ( 3.453 2.555 0.000) 4.296 13.837 ( 2.489 -1.508 0.000) 2.910 13.934 ( 3.508 7.572 0.000) 8.345 14.093 ( 2.279 -7.718 0.000) 8.047 14.166 ( 5.584 5.941 0.000) 8.153 14.325 ( 4.073 -8.869 0.000) 9.760 14.618 ( 2.396 4.573 0.000) 5.163 14.622 ( 1.728 2.752 0.000) 3.249 14.681 ( 0.832 -2.970 0.000) 3.085 14.717 ( 1.451 -4.944 0.000) 5.152 14.853 ( 1.875 7.483 0.000) 7.714 14.983 ( 0.813 -4.968 0.000) 5.034 15.710 ( 0.062 6.049 0.000) 6.049 15.835 ( -1.578 -5.591 0.000) 5.809 15.878 ( -0.796 1.039 0.000) 1.308 15.909 ( -0.272 -1.932 0.000) 1.951 15.998 ( -3.108 0.571 0.000) 3.160 16.033 ( -4.185 -2.248 0.000) 4.751 16.263 ( -2.272 3.566 0.000) 4.228 16.326 ( 1.787 0.976 0.000) 2.036 16.353 ( -1.729 -4.990 0.000) 5.281 16.359 ( 1.100 -2.124 0.000) 2.392 16.501 ( -6.975 6.462 0.000) 9.508 16.591 ( -7.303 -0.606 0.000) 7.328 16.658 ( -4.114 1.853 0.000) 4.512 16.705 ( -3.418 -1.380 0.000) 3.686 16.732 ( -0.987 -0.385 0.000) 1.060 16.762 ( -1.682 6.255 0.000) 6.477 16.776 ( -2.997 -3.145 0.000) 4.344 16.911 ( -1.318 -7.281 0.000) 7.400 16.966 ( -1.054 0.559 0.000) 1.193 16.973 ( -0.381 -0.195 0.000) 0.427 17.029 ( -2.629 3.912 0.000) 4.713 17.034 ( -0.014 1.088 0.000) 1.088 17.095 ( -0.517 -4.585 0.000) 4.614 17.126 ( -2.962 -5.029 0.000) 5.837 17.368 ( -1.417 1.148 0.000) 1.824 17.407 ( 0.052 -2.741 0.000) 2.741 17.448 ( 0.243 0.383 0.000) 0.454 17.491 ( 1.670 -3.710 0.000) 4.068 17.619 ( -0.561 4.455 0.000) 4.490 17.656 ( -0.238 2.483 0.000) 2.495 17.700 ( -1.246 -1.576 0.000) 2.009 17.706 ( -2.245 -3.640 0.000) 4.277 17.839 ( -0.076 2.501 0.000) 2.502 17.884 ( -0.077 -1.883 0.000) 1.885 17.940 ( -1.051 1.085 0.000) 1.511 17.966 ( -0.826 -1.237 0.000) 1.488 18.085 ( 0.054 0.789 0.000) 0.791 18.127 ( 1.089 -3.076 0.000) 3.263 18.280 ( -0.738 0.078 0.000) 0.742 18.305 ( -0.123 -2.590 0.000) 2.593 18.860 ( -1.979 2.597 0.000) 3.265 18.891 ( -2.573 2.809 0.000) 3.809 18.895 ( -0.960 -0.493 0.000) 1.079 18.921 ( -2.335 0.228 0.000) 2.346 18.985 ( -0.956 2.484 0.000) 2.662 19.015 ( -0.744 0.956 0.000) 1.212 19.027 ( -0.397 -0.128 0.000) 0.417 19.033 ( -0.875 -1.798 0.000) 1.999 ======================= Grid point 46 (27/60) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 16.220 31.674 0.000) 35.585 3.685 ( 15.030 27.908 0.000) 31.699 3.804 ( 13.362 -27.131 0.000) 30.243 3.986 ( 4.909 16.860 0.000) 17.560 4.105 ( 12.136 19.402 0.000) 22.885 4.191 ( 5.803 -18.058 0.000) 18.968 4.270 ( 5.933 -5.127 0.000) 7.842 4.353 ( 12.618 20.248 0.000) 23.858 4.535 ( 14.001 -16.229 0.000) 21.434 4.747 ( 6.768 9.497 0.000) 11.662 4.764 ( 10.532 6.714 0.000) 12.490 4.984 ( 7.505 -3.109 0.000) 8.124 5.113 ( 6.799 -19.060 0.000) 20.236 5.270 ( -2.084 -9.307 0.000) 9.538 5.359 ( -1.838 15.591 0.000) 15.699 5.520 ( 6.881 -1.622 0.000) 7.070 5.557 ( 3.586 5.197 0.000) 6.314 5.627 ( -4.882 -3.661 0.000) 6.102 5.641 ( 4.877 -12.854 0.000) 13.748 5.787 ( 0.337 -9.317 0.000) 9.323 5.964 ( 3.141 13.789 0.000) 14.142 5.992 ( 6.133 7.636 0.000) 9.794 6.151 ( 3.217 -7.725 0.000) 8.368 6.223 ( -0.927 -11.015 0.000) 11.054 6.359 ( -7.320 6.254 0.000) 9.628 6.487 ( -6.663 -5.334 0.000) 8.535 7.038 ( 1.090 4.225 0.000) 4.363 7.125 ( 4.224 -3.732 0.000) 5.636 7.137 ( -7.792 10.833 0.000) 13.345 7.380 ( -10.620 -11.225 0.000) 15.453 7.568 ( -18.319 5.797 0.000) 19.215 7.654 ( -1.206 -1.160 0.000) 1.673 7.671 ( -16.312 -3.648 0.000) 16.715 7.671 ( 0.866 -3.035 0.000) 3.156 7.838 ( -8.113 6.571 0.000) 10.440 7.910 ( -0.903 6.106 0.000) 6.172 8.021 ( -10.497 -10.640 0.000) 14.947 8.100 ( 0.315 -11.568 0.000) 11.573 8.263 ( -13.740 6.309 0.000) 15.120 8.389 ( -14.993 -5.881 0.000) 16.105 8.522 ( 7.755 6.860 0.000) 10.354 8.543 ( 1.191 2.612 0.000) 2.871 8.573 ( 3.682 2.901 0.000) 4.688 8.614 ( -0.516 -3.905 0.000) 3.939 8.673 ( 5.324 -1.174 0.000) 5.452 8.747 ( 7.331 -5.592 0.000) 9.221 8.803 ( 1.322 4.036 0.000) 4.247 8.913 ( 2.259 -6.308 0.000) 6.700 12.976 ( 3.961 4.407 0.000) 5.925 13.046 ( 4.459 -2.140 0.000) 4.946 13.116 ( 4.447 4.772 0.000) 6.523 13.170 ( 6.545 4.041 0.000) 7.691 13.182 ( 4.916 -1.086 0.000) 5.035 13.244 ( 6.497 -2.946 0.000) 7.133 13.275 ( 4.097 4.404 0.000) 6.015 13.333 ( 4.061 -0.888 0.000) 4.157 13.560 ( 8.145 3.638 0.000) 8.920 13.602 ( 8.126 -0.641 0.000) 8.151 13.662 ( 3.985 7.778 0.000) 8.739 13.823 ( 3.630 -7.622 0.000) 8.442 13.895 ( 5.864 0.981 0.000) 5.945 13.910 ( 4.944 -0.865 0.000) 5.019 14.026 ( 5.573 6.351 0.000) 8.450 14.153 ( 3.569 -5.831 0.000) 6.837 14.304 ( 7.944 4.881 0.000) 9.323 14.431 ( 6.327 -6.970 0.000) 9.413 14.661 ( 1.849 1.532 0.000) 2.401 14.678 ( 3.408 3.576 0.000) 4.940 14.698 ( 0.637 -1.966 0.000) 2.067 14.755 ( 2.335 -3.919 0.000) 4.562 14.900 ( 2.647 5.800 0.000) 6.376 15.000 ( 0.712 -3.786 0.000) 3.853 15.687 ( -2.949 4.827 0.000) 5.656 15.781 ( -3.531 -3.671 0.000) 5.094 15.856 ( -1.669 1.696 0.000) 2.379 15.900 ( -0.752 -2.312 0.000) 2.431 15.949 ( -0.800 1.226 0.000) 1.464 15.992 ( 0.418 -2.321 0.000) 2.358 16.201 ( -4.303 4.082 0.000) 5.931 16.279 ( -5.404 -0.537 0.000) 5.430 16.342 ( -0.785 -0.001 0.000) 0.785 16.359 ( -1.235 -1.538 0.000) 1.972 16.372 ( -4.956 1.097 0.000) 5.076 16.443 ( -7.342 -2.801 0.000) 7.859 16.561 ( -5.366 1.405 0.000) 5.547 16.616 ( -4.979 -3.188 0.000) 5.912 16.681 ( -4.151 0.390 0.000) 4.169 16.710 ( -3.513 -2.169 0.000) 4.129 16.730 ( -1.354 6.340 0.000) 6.482 16.873 ( -2.261 -7.144 0.000) 7.494 16.926 ( -2.702 1.847 0.000) 3.273 16.959 ( -1.163 -1.195 0.000) 1.667 16.969 ( -3.243 3.571 0.000) 4.824 17.008 ( -2.995 0.320 0.000) 3.012 17.059 ( -3.516 -4.773 0.000) 5.928 17.063 ( -2.639 -3.974 0.000) 4.770 17.337 ( -1.724 2.614 0.000) 3.131 17.401 ( -0.743 -3.495 0.000) 3.573 17.430 ( -2.476 2.025 0.000) 3.199 17.494 ( -2.057 -3.982 0.000) 4.482 17.594 ( -2.063 2.031 0.000) 2.894 17.641 ( -4.161 -2.188 0.000) 4.702 17.653 ( 0.150 2.078 0.000) 2.083 17.696 ( 1.014 -2.018 0.000) 2.258 17.835 ( -0.576 2.377 0.000) 2.446 17.880 ( -0.475 -1.999 0.000) 2.055 17.919 ( -0.955 1.249 0.000) 1.573 17.952 ( -0.466 -1.779 0.000) 1.839 18.086 ( 0.081 1.351 0.000) 1.354 18.139 ( 0.006 -3.679 0.000) 3.679 18.259 ( -1.492 0.282 0.000) 1.519 18.292 ( -1.475 -2.984 0.000) 3.328 18.817 ( -2.125 3.395 0.000) 4.005 18.840 ( -2.432 2.756 0.000) 3.676 18.865 ( -2.801 0.443 0.000) 2.836 18.867 ( -1.681 -1.217 0.000) 2.075 18.959 ( -1.743 2.673 0.000) 3.191 18.999 ( -0.852 1.395 0.000) 1.634 19.005 ( -1.850 -1.614 0.000) 2.455 19.011 ( -1.228 0.174 0.000) 1.240 ======================= Grid point 47 (28/60) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( 19.195 27.402 0.000) 33.456 3.939 ( 10.993 18.055 0.000) 21.138 4.052 ( 9.521 -16.012 0.000) 18.629 4.156 ( 13.732 7.136 0.000) 15.475 4.241 ( 1.072 -8.815 0.000) 8.880 4.395 ( 14.503 20.081 0.000) 24.770 4.405 ( 8.413 -8.580 0.000) 12.016 4.630 ( 15.656 20.628 0.000) 25.897 4.867 ( 15.268 -21.683 0.000) 26.519 4.914 ( 9.831 12.260 0.000) 15.715 4.994 ( 12.682 -6.355 0.000) 14.185 5.170 ( 12.146 -0.751 0.000) 12.169 5.226 ( 4.554 -13.543 0.000) 14.288 5.245 ( 1.141 -2.999 0.000) 3.209 5.327 ( -1.048 10.035 0.000) 10.089 5.491 ( -6.079 -5.829 0.000) 8.422 5.657 ( 6.265 1.908 0.000) 6.549 5.666 ( 4.796 4.869 0.000) 6.834 5.749 ( 6.289 -7.227 0.000) 9.581 5.767 ( -2.188 -4.456 0.000) 4.964 6.017 ( 0.038 5.801 0.000) 5.801 6.099 ( -10.810 -0.344 0.000) 10.815 6.128 ( 6.641 3.402 0.000) 7.461 6.219 ( 3.168 -5.951 0.000) 6.742 6.290 ( 0.884 0.277 0.000) 0.926 6.354 ( -4.441 -4.434 0.000) 6.276 6.978 ( -8.259 6.978 0.000) 10.812 7.030 ( -3.527 6.909 0.000) 7.758 7.167 ( -10.773 -10.422 0.000) 14.989 7.168 ( -5.693 -4.697 0.000) 7.381 7.263 ( -6.699 1.002 0.000) 6.773 7.345 ( -14.826 -5.416 0.000) 15.784 7.555 ( -8.149 6.041 0.000) 10.144 7.687 ( 0.657 -3.887 0.000) 3.942 7.713 ( -19.665 9.121 0.000) 21.677 7.786 ( -1.244 -0.053 0.000) 1.246 7.902 ( 1.968 -8.926 0.000) 9.141 7.913 ( -23.353 -8.937 0.000) 25.005 8.109 ( -1.066 3.198 0.000) 3.371 8.187 ( 0.512 -4.485 0.000) 4.514 8.536 ( -2.739 2.442 0.000) 3.670 8.592 ( -1.446 -2.918 0.000) 3.256 8.595 ( -0.111 1.579 0.000) 1.583 8.597 ( -0.928 1.138 0.000) 1.469 8.802 ( 7.821 5.012 0.000) 9.289 8.866 ( 4.180 4.991 0.000) 6.510 8.890 ( 6.446 -3.292 0.000) 7.238 8.969 ( 2.965 -4.807 0.000) 5.648 13.065 ( 5.021 4.249 0.000) 6.577 13.139 ( 4.777 -2.837 0.000) 5.556 13.186 ( 2.859 4.241 0.000) 5.114 13.251 ( 2.103 -1.740 0.000) 2.730 13.298 ( 6.191 3.836 0.000) 7.283 13.366 ( 4.597 4.134 0.000) 6.182 13.366 ( 5.529 -2.710 0.000) 6.157 13.424 ( 4.599 -1.283 0.000) 4.774 13.747 ( 10.738 3.725 0.000) 11.366 13.765 ( 6.532 7.401 0.000) 9.871 13.782 ( 10.070 0.199 0.000) 10.072 13.909 ( 5.022 -6.458 0.000) 8.180 14.016 ( 5.984 -0.222 0.000) 5.989 14.025 ( 6.754 -0.686 0.000) 6.789 14.137 ( 5.416 4.609 0.000) 7.111 14.221 ( 3.166 -3.472 0.000) 4.698 14.443 ( 5.535 4.614 0.000) 7.206 14.548 ( 5.068 -5.375 0.000) 7.387 14.676 ( -0.764 1.052 0.000) 1.300 14.703 ( -0.077 -1.512 0.000) 1.514 14.744 ( 3.342 2.808 0.000) 4.365 14.805 ( 2.673 -3.044 0.000) 4.052 14.944 ( 1.524 3.452 0.000) 3.773 15.001 ( -0.899 -1.929 0.000) 2.128 15.619 ( -2.909 4.250 0.000) 5.150 15.714 ( -2.866 -4.617 0.000) 5.434 15.800 ( -4.147 2.440 0.000) 4.812 15.864 ( -3.697 -3.669 0.000) 5.209 15.988 ( 4.010 2.552 0.000) 4.753 16.026 ( 2.822 -0.777 0.000) 2.927 16.112 ( -2.815 6.145 0.000) 6.759 16.213 ( -1.070 -0.139 0.000) 1.079 16.291 ( -3.590 -0.804 0.000) 3.679 16.295 ( -3.868 -3.050 0.000) 4.926 16.314 ( -3.422 -2.893 0.000) 4.482 16.327 ( -3.571 -2.141 0.000) 4.164 16.468 ( -3.839 1.706 0.000) 4.201 16.530 ( -3.736 -4.066 0.000) 5.522 16.575 ( -6.579 2.023 0.000) 6.883 16.631 ( -5.030 -3.109 0.000) 5.913 16.721 ( 0.579 5.177 0.000) 5.209 16.836 ( -1.425 -5.084 0.000) 5.280 16.878 ( -1.895 2.086 0.000) 2.818 16.912 ( -2.395 2.614 0.000) 3.545 16.922 ( -3.930 -1.860 0.000) 4.348 16.937 ( -2.072 0.326 0.000) 2.097 16.996 ( -2.962 -4.342 0.000) 5.255 16.996 ( -4.213 -3.864 0.000) 5.717 17.299 ( -2.065 4.121 0.000) 4.609 17.357 ( -4.598 2.624 0.000) 5.294 17.386 ( -0.588 -3.822 0.000) 3.867 17.426 ( -4.064 -3.853 0.000) 5.600 17.539 ( -3.538 -0.251 0.000) 3.547 17.556 ( -4.077 -1.453 0.000) 4.328 17.644 ( -1.825 2.435 0.000) 3.043 17.700 ( -2.362 -2.929 0.000) 3.763 17.826 ( 0.966 1.867 0.000) 2.102 17.874 ( 0.173 -2.558 0.000) 2.564 17.906 ( -0.340 1.540 0.000) 1.577 17.949 ( 0.164 -2.455 0.000) 2.461 18.090 ( 0.239 0.951 0.000) 0.980 18.129 ( -0.889 -2.736 0.000) 2.877 18.218 ( -2.695 -0.041 0.000) 2.695 18.242 ( -3.576 -2.374 0.000) 4.292 18.785 ( -1.078 4.057 0.000) 4.198 18.799 ( -1.738 3.204 0.000) 3.645 18.829 ( -0.881 0.760 0.000) 1.163 18.840 ( -0.951 -0.998 0.000) 1.379 18.923 ( -1.684 2.440 0.000) 2.965 18.970 ( -1.505 -1.703 0.000) 2.272 18.978 ( -1.653 0.932 0.000) 1.898 18.984 ( -1.154 0.495 0.000) 1.255 ======================= Grid point 48 (29/60) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 15.768 19.567 0.000) 25.130 4.118 ( 7.245 8.446 0.000) 11.128 4.187 ( 4.624 -6.123 0.000) 7.673 4.228 ( -2.525 -1.278 0.000) 2.829 4.437 ( 13.139 4.906 0.000) 14.025 4.612 ( 6.887 18.753 0.000) 19.978 4.615 ( 12.895 -8.326 0.000) 15.349 4.933 ( 10.594 5.905 0.000) 12.128 4.975 ( 2.119 -2.955 0.000) 3.636 5.096 ( 7.450 9.986 0.000) 12.459 5.210 ( 6.251 -9.582 0.000) 11.440 5.274 ( 0.650 -3.410 0.000) 3.471 5.341 ( 2.169 1.172 0.000) 2.465 5.357 ( 7.381 0.731 0.000) 7.417 5.409 ( -1.210 -3.792 0.000) 3.980 5.415 ( 8.013 -4.079 0.000) 8.992 5.708 ( -2.842 1.515 0.000) 3.221 5.740 ( 1.765 -1.065 0.000) 2.061 5.768 ( 5.294 2.678 0.000) 5.933 5.849 ( -6.197 -2.592 0.000) 6.717 5.907 ( 7.640 -0.770 0.000) 7.679 5.935 ( -7.564 -4.487 0.000) 8.795 6.198 ( -0.762 0.003 0.000) 0.762 6.241 ( -1.892 -4.142 0.000) 4.554 6.379 ( 9.848 3.734 0.000) 10.532 6.452 ( 13.339 -3.084 0.000) 13.691 6.837 ( -5.404 3.843 0.000) 6.631 6.875 ( -7.857 0.841 0.000) 7.902 6.935 ( -13.751 -4.482 0.000) 14.463 6.975 ( -8.514 -9.179 0.000) 12.520 7.156 ( -6.429 0.735 0.000) 6.470 7.171 ( -17.456 -0.561 0.000) 17.465 7.401 ( -8.999 -0.263 0.000) 9.003 7.409 ( -6.446 6.511 0.000) 9.162 7.438 ( -13.989 -3.039 0.000) 14.315 7.604 ( -6.358 -11.596 0.000) 13.224 7.872 ( 8.445 7.156 0.000) 11.069 8.016 ( 7.100 -6.201 0.000) 9.426 8.126 ( 0.375 3.414 0.000) 3.434 8.191 ( -1.627 -1.971 0.000) 2.555 8.469 ( -2.729 3.663 0.000) 4.568 8.534 ( -4.032 2.693 0.000) 4.848 8.558 ( -1.700 -4.317 0.000) 4.640 8.579 ( -1.736 -1.265 0.000) 2.148 8.936 ( 5.378 3.892 0.000) 6.639 8.945 ( 3.581 4.215 0.000) 5.531 8.982 ( 2.883 -0.642 0.000) 2.954 9.014 ( 1.388 -2.276 0.000) 2.666 13.161 ( 4.560 3.208 0.000) 5.575 13.217 ( 2.927 -2.219 0.000) 3.673 13.230 ( 1.612 2.575 0.000) 3.038 13.267 ( -0.351 -0.870 0.000) 0.938 13.401 ( 4.205 3.053 0.000) 5.196 13.436 ( 2.383 3.445 0.000) 4.189 13.450 ( 3.127 -1.667 0.000) 3.544 13.488 ( 1.696 -1.426 0.000) 2.216 13.904 ( 7.191 5.634 0.000) 9.135 13.951 ( 8.659 2.611 0.000) 9.044 13.965 ( 7.790 1.223 0.000) 7.885 14.005 ( 4.348 -4.043 0.000) 5.938 14.113 ( 3.781 1.560 0.000) 4.090 14.158 ( 6.533 -2.198 0.000) 6.893 14.213 ( 1.602 3.201 0.000) 3.579 14.266 ( 1.319 -1.849 0.000) 2.271 14.513 ( 2.311 5.108 0.000) 5.607 14.617 ( 2.235 -4.860 0.000) 5.349 14.635 ( -3.165 2.640 0.000) 4.121 14.689 ( -1.382 -2.652 0.000) 2.991 14.808 ( 3.172 2.453 0.000) 4.010 14.858 ( 2.737 -2.373 0.000) 3.622 14.939 ( -2.527 1.728 0.000) 3.062 14.965 ( -2.371 -0.754 0.000) 2.488 15.597 ( 0.765 3.586 0.000) 3.667 15.681 ( -0.505 -4.179 0.000) 4.209 15.711 ( -4.423 2.421 0.000) 5.042 15.768 ( -5.027 -2.907 0.000) 5.807 16.065 ( 3.274 2.268 0.000) 3.983 16.103 ( 0.504 3.181 0.000) 3.221 16.108 ( 5.059 -0.886 0.000) 5.136 16.204 ( -2.366 -6.341 0.000) 6.768 16.235 ( -1.413 -0.652 0.000) 1.556 16.242 ( 1.210 3.873 0.000) 4.057 16.252 ( -1.563 -3.343 0.000) 3.690 16.318 ( 2.013 -2.708 0.000) 3.375 16.411 ( -2.157 1.139 0.000) 2.439 16.434 ( -7.582 2.889 0.000) 8.114 16.466 ( -3.216 -4.223 0.000) 5.309 16.510 ( -7.056 -4.124 0.000) 8.173 16.753 ( 2.544 3.507 0.000) 4.333 16.813 ( -0.931 -0.486 0.000) 1.051 16.838 ( -2.684 1.719 0.000) 3.187 16.859 ( -1.713 0.083 0.000) 1.715 16.882 ( -0.627 0.136 0.000) 0.642 16.911 ( -2.735 -1.730 0.000) 3.236 16.917 ( -1.443 -2.374 0.000) 2.778 16.945 ( -2.219 -3.708 0.000) 4.321 17.262 ( -1.672 5.121 0.000) 5.387 17.273 ( -3.379 3.327 0.000) 4.742 17.361 ( -2.167 -4.883 0.000) 5.343 17.378 ( -0.705 -5.633 0.000) 5.677 17.476 ( -1.735 0.379 0.000) 1.775 17.501 ( -1.273 -1.810 0.000) 2.213 17.577 ( -4.583 1.626 0.000) 4.863 17.611 ( -5.414 -1.384 0.000) 5.588 17.873 ( 2.581 -0.580 0.000) 2.646 17.891 ( 1.708 -1.954 0.000) 2.596 17.903 ( -0.061 1.419 0.000) 1.420 17.953 ( -0.041 -3.111 0.000) 3.111 18.091 ( -0.020 0.437 0.000) 0.437 18.112 ( -0.561 -1.500 0.000) 1.601 18.155 ( -3.677 -0.110 0.000) 3.679 18.168 ( -3.349 -1.430 0.000) 3.641 18.773 ( -0.283 4.482 0.000) 4.491 18.776 ( -0.634 4.104 0.000) 4.153 18.824 ( 0.152 0.237 0.000) 0.282 18.830 ( -0.170 -0.587 0.000) 0.611 18.902 ( -0.354 2.272 0.000) 2.299 18.941 ( -1.881 1.354 0.000) 2.317 18.951 ( -0.451 -1.747 0.000) 1.804 18.965 ( -0.874 -0.439 0.000) 0.978 ======================= Grid point 49 (30/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( -8.146 8.642 0.000) 11.876 4.121 ( 8.146 8.642 0.000) 11.876 4.217 ( -1.705 -0.908 0.000) 1.932 4.217 ( 1.705 -0.908 0.000) 1.932 4.632 ( -5.425 12.750 0.000) 13.856 4.632 ( 5.425 12.750 0.000) 13.856 4.845 ( -9.031 -6.640 0.000) 11.210 4.845 ( 9.031 -6.640 0.000) 11.210 5.164 ( -1.874 7.783 0.000) 8.006 5.164 ( 1.874 7.783 0.000) 8.006 5.244 ( -3.256 2.213 0.000) 3.937 5.244 ( 3.256 2.213 0.000) 3.937 5.408 ( -3.213 -1.484 0.000) 3.539 5.408 ( 3.213 -1.484 0.000) 3.539 5.427 ( -2.293 -1.402 0.000) 2.688 5.427 ( 2.293 -1.402 0.000) 2.688 5.723 ( -5.746 -3.959 0.000) 6.978 5.723 ( 5.746 -3.959 0.000) 6.978 5.740 ( -0.194 -4.382 0.000) 4.386 5.740 ( 0.194 -4.382 0.000) 4.386 6.075 ( -11.461 0.543 0.000) 11.474 6.075 ( 11.461 0.543 0.000) 11.474 6.115 ( -10.590 -3.045 0.000) 11.019 6.115 ( 10.590 -3.045 0.000) 11.019 6.664 ( -16.316 4.232 0.000) 16.856 6.664 ( 16.316 4.232 0.000) 16.856 6.790 ( -16.226 -5.792 0.000) 17.228 6.790 ( 16.226 -5.792 0.000) 17.228 6.823 ( -5.164 -1.184 0.000) 5.298 6.823 ( 5.164 -1.184 0.000) 5.298 6.878 ( -5.521 -4.554 0.000) 7.157 6.878 ( 5.521 -4.554 0.000) 7.157 7.309 ( -3.397 6.810 0.000) 7.611 7.309 ( 3.397 6.810 0.000) 7.611 7.487 ( -5.453 -9.337 0.000) 10.813 7.487 ( 5.453 -9.337 0.000) 10.813 8.047 ( -8.213 5.177 0.000) 9.709 8.047 ( 8.213 5.177 0.000) 9.709 8.134 ( -4.254 -2.203 0.000) 4.791 8.134 ( 4.254 -2.203 0.000) 4.791 8.466 ( -2.286 3.429 0.000) 4.121 8.466 ( 2.286 3.429 0.000) 4.121 8.548 ( -0.867 -3.695 0.000) 3.796 8.548 ( 0.867 -3.695 0.000) 3.796 8.990 ( -0.476 2.621 0.000) 2.663 8.990 ( 0.476 2.621 0.000) 2.663 9.015 ( -1.222 0.419 0.000) 1.292 9.015 ( 1.222 0.419 0.000) 1.292 13.233 ( -2.359 1.399 0.000) 2.743 13.233 ( 2.359 1.399 0.000) 2.743 13.249 ( -0.626 -0.177 0.000) 0.651 13.249 ( 0.626 -0.177 0.000) 0.651 13.452 ( -0.858 2.620 0.000) 2.757 13.452 ( 0.858 2.620 0.000) 2.757 13.491 ( -1.139 -1.084 0.000) 1.573 13.491 ( 1.139 -1.084 0.000) 1.573 14.010 ( -2.395 2.912 0.000) 3.770 14.010 ( 2.395 2.912 0.000) 3.770 14.053 ( -0.304 -1.052 0.000) 1.095 14.053 ( 0.304 -1.052 0.000) 1.095 14.186 ( -3.765 4.029 0.000) 5.514 14.186 ( 3.765 4.029 0.000) 5.514 14.257 ( -2.894 -2.598 0.000) 3.889 14.257 ( 2.894 -2.598 0.000) 3.889 14.566 ( -3.418 4.489 0.000) 5.642 14.566 ( 3.418 4.489 0.000) 5.642 14.654 ( -1.955 -4.086 0.000) 4.529 14.654 ( 1.955 -4.086 0.000) 4.529 14.871 ( -3.534 2.278 0.000) 4.205 14.871 ( 3.534 2.278 0.000) 4.205 14.912 ( -2.892 -1.747 0.000) 3.379 14.912 ( 2.892 -1.747 0.000) 3.379 15.639 ( -3.063 2.436 0.000) 3.913 15.639 ( 3.063 2.436 0.000) 3.913 15.695 ( -2.157 -2.841 0.000) 3.567 15.695 ( 2.157 -2.841 0.000) 3.567 16.103 ( -0.685 1.348 0.000) 1.512 16.103 ( 0.685 1.348 0.000) 1.512 16.165 ( -1.162 -4.098 0.000) 4.259 16.165 ( 1.162 -4.098 0.000) 4.259 16.261 ( -1.764 1.877 0.000) 2.576 16.261 ( 1.764 1.877 0.000) 2.576 16.294 ( -5.522 0.017 0.000) 5.522 16.294 ( 5.522 0.017 0.000) 5.522 16.386 ( -2.431 -2.002 0.000) 3.149 16.386 ( 2.431 -2.002 0.000) 3.149 16.404 ( -0.490 -2.659 0.000) 2.704 16.404 ( 0.490 -2.659 0.000) 2.704 16.805 ( -1.107 1.495 0.000) 1.861 16.805 ( 1.107 1.495 0.000) 1.861 16.811 ( -2.436 0.296 0.000) 2.454 16.811 ( 2.436 0.296 0.000) 2.454 16.880 ( -0.365 0.075 0.000) 0.372 16.880 ( 0.365 0.075 0.000) 0.372 16.915 ( -0.723 -2.551 0.000) 2.651 16.915 ( 0.723 -2.551 0.000) 2.651 17.241 ( -0.087 4.333 0.000) 4.334 17.241 ( 0.087 4.333 0.000) 4.334 17.352 ( -1.102 -5.951 0.000) 6.053 17.352 ( 1.102 -5.951 0.000) 6.053 17.495 ( -3.137 0.879 0.000) 3.258 17.495 ( 3.137 0.879 0.000) 3.258 17.521 ( -3.288 -1.443 0.000) 3.591 17.521 ( 3.288 -1.443 0.000) 3.591 17.899 ( -0.545 0.398 0.000) 0.674 17.899 ( 0.545 0.398 0.000) 0.674 17.936 ( -1.891 -2.954 0.000) 3.508 17.936 ( 1.891 -2.954 0.000) 3.508 18.100 ( -1.454 0.620 0.000) 1.581 18.100 ( 1.454 0.620 0.000) 1.581 18.120 ( -1.513 -1.398 0.000) 2.060 18.120 ( 1.513 -1.398 0.000) 2.060 18.771 ( -0.018 4.560 0.000) 4.560 18.771 ( 0.018 4.560 0.000) 4.560 18.828 ( -0.153 -0.232 0.000) 0.278 18.828 ( 0.153 -0.232 0.000) 0.278 18.910 ( -1.134 1.892 0.000) 2.206 18.910 ( 1.134 1.892 0.000) 2.206 18.951 ( -0.410 -1.333 0.000) 1.395 18.951 ( 0.410 -1.333 0.000) 1.395 ======================= Grid point 99 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.752 ( 0.000 0.000 33.248) 33.248 0.793 ( 0.000 0.000 35.298) 35.298 1.484 ( 0.000 0.000 -16.601) 16.601 1.610 ( 0.000 0.000 -36.590) 36.590 1.690 ( 0.000 0.000 54.453) 54.453 3.068 ( 0.000 0.000 30.645) 30.645 3.224 ( 0.000 0.000 -64.970) 64.970 3.292 ( 0.000 0.000 35.002) 35.002 3.684 ( 0.000 0.000 -22.015) 22.015 4.001 ( 0.000 0.000 -25.391) 25.391 5.312 ( 0.000 0.000 8.218) 8.218 5.514 ( 0.000 0.000 -7.458) 7.458 5.567 ( 0.000 0.000 6.151) 6.151 5.617 ( 0.000 0.000 4.827) 4.827 5.623 ( 0.000 0.000 26.579) 26.579 5.714 ( 0.000 0.000 -4.665) 4.665 5.851 ( 0.000 0.000 0.183) 0.183 6.059 ( 0.000 0.000 -2.532) 2.532 6.123 ( 0.000 0.000 -9.053) 9.053 6.235 ( 0.000 0.000 -12.970) 12.970 6.309 ( 0.000 0.000 13.855) 13.855 6.482 ( 0.000 0.000 15.961) 15.961 6.508 ( 0.000 0.000 19.964) 19.964 6.658 ( 0.000 0.000 -12.963) 12.963 6.664 ( 0.000 0.000 7.537) 7.537 6.747 ( 0.000 0.000 -3.456) 3.456 6.893 ( 0.000 0.000 -19.508) 19.508 6.951 ( 0.000 0.000 2.539) 2.539 7.064 ( 0.000 0.000 -2.154) 2.154 7.079 ( 0.000 0.000 -18.872) 18.872 7.484 ( 0.000 0.000 7.784) 7.784 7.657 ( 0.000 0.000 -6.100) 6.100 7.874 ( 0.000 0.000 8.216) 8.216 7.893 ( 0.000 0.000 12.098) 12.098 7.986 ( 0.000 0.000 -2.392) 2.392 8.058 ( 0.000 0.000 0.480) 0.480 8.093 ( 0.000 0.000 -1.609) 1.609 8.096 ( 0.000 0.000 -5.792) 5.792 8.299 ( 0.000 0.000 6.991) 6.991 8.473 ( 0.000 0.000 -6.750) 6.750 8.591 ( 0.000 0.000 7.212) 7.212 8.792 ( 0.000 0.000 -9.377) 9.377 8.908 ( 0.000 0.000 -1.099) 1.099 8.917 ( 0.000 0.000 -2.636) 2.636 9.182 ( 0.000 0.000 5.553) 5.553 9.214 ( 0.000 0.000 7.949) 7.949 9.283 ( 0.000 0.000 -3.157) 3.157 9.368 ( 0.000 0.000 -5.101) 5.101 12.571 ( 0.000 0.000 1.876) 1.876 12.614 ( 0.000 0.000 -1.505) 1.505 12.657 ( 0.000 0.000 1.409) 1.409 12.712 ( 0.000 0.000 -3.019) 3.019 12.768 ( 0.000 0.000 1.049) 1.049 12.806 ( 0.000 0.000 -2.027) 2.027 12.950 ( 0.000 0.000 4.346) 4.346 13.057 ( 0.000 0.000 -4.173) 4.173 13.213 ( 0.000 0.000 5.103) 5.103 13.306 ( 0.000 0.000 2.837) 2.837 13.341 ( 0.000 0.000 -4.907) 4.907 13.378 ( 0.000 0.000 -2.396) 2.396 13.600 ( 0.000 0.000 7.089) 7.089 13.802 ( 0.000 0.000 -9.611) 9.611 14.130 ( 0.000 0.000 3.902) 3.902 14.207 ( 0.000 0.000 -2.148) 2.148 14.272 ( 0.000 0.000 6.240) 6.240 14.370 ( 0.000 0.000 -0.225) 0.225 14.392 ( 0.000 0.000 -1.702) 1.702 14.418 ( 0.000 0.000 -6.027) 6.027 14.905 ( 0.000 0.000 4.701) 4.701 14.931 ( 0.000 0.000 1.618) 1.618 14.949 ( 0.000 0.000 1.677) 1.677 15.041 ( 0.000 0.000 -4.691) 4.691 15.650 ( 0.000 0.000 6.679) 6.679 15.846 ( 0.000 0.000 -10.073) 10.073 16.081 ( 0.000 0.000 3.097) 3.097 16.095 ( 0.000 0.000 0.468) 0.468 16.119 ( 0.000 0.000 -1.778) 1.778 16.131 ( 0.000 0.000 4.206) 4.206 16.155 ( 0.000 0.000 -2.575) 2.575 16.225 ( 0.000 0.000 -2.997) 2.997 16.363 ( 0.000 0.000 7.331) 7.331 16.429 ( 0.000 0.000 0.089) 0.089 16.442 ( 0.000 0.000 6.855) 6.855 16.495 ( 0.000 0.000 1.674) 1.674 16.617 ( 0.000 0.000 -7.316) 7.316 16.635 ( 0.000 0.000 -9.047) 9.047 16.878 ( 0.000 0.000 2.942) 2.942 16.908 ( 0.000 0.000 -0.044) 0.044 16.913 ( 0.000 0.000 1.451) 1.451 16.917 ( 0.000 0.000 0.656) 0.656 17.116 ( 0.000 0.000 0.725) 0.725 17.158 ( 0.000 0.000 -2.934) 2.934 17.224 ( 0.000 0.000 2.581) 2.581 17.297 ( 0.000 0.000 -3.409) 3.409 17.329 ( 0.000 0.000 2.977) 2.977 17.377 ( 0.000 0.000 1.161) 1.161 17.383 ( 0.000 0.000 -1.764) 1.764 17.403 ( 0.000 0.000 -0.728) 0.728 17.575 ( 0.000 0.000 1.321) 1.321 17.581 ( 0.000 0.000 -0.305) 0.305 17.625 ( 0.000 0.000 -1.245) 1.245 17.676 ( 0.000 0.000 4.383) 4.383 17.682 ( 0.000 0.000 -4.916) 4.916 17.781 ( 0.000 0.000 -4.115) 4.115 17.995 ( 0.000 0.000 3.722) 3.722 18.016 ( 0.000 0.000 4.260) 4.260 18.084 ( 0.000 0.000 -3.403) 3.403 18.096 ( 0.000 0.000 -2.383) 2.383 18.180 ( 0.000 0.000 1.566) 1.566 18.225 ( 0.000 0.000 -1.962) 1.962 18.306 ( 0.000 0.000 11.579) 11.579 18.523 ( 0.000 0.000 -5.969) 5.969 18.656 ( 0.000 0.000 3.326) 3.326 18.742 ( 0.000 0.000 -0.734) 0.734 18.746 ( 0.000 0.000 -4.088) 4.088 18.767 ( 0.000 0.000 -2.994) 2.994 18.884 ( 0.000 0.000 3.724) 3.724 18.891 ( 0.000 0.000 0.426) 0.426 18.895 ( 0.000 0.000 0.245) 0.245 18.955 ( 0.000 0.000 -2.116) 2.116 ======================= Grid point 100 (32/60) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 25.421 0.000 28.004) 37.821 1.123 ( 31.755 0.000 21.858) 38.550 1.741 ( 21.676 0.000 -28.409) 35.734 1.834 ( 20.574 0.000 -32.830) 38.744 2.087 ( 40.360 0.000 54.013) 67.427 3.173 ( 10.737 0.000 29.056) 30.977 3.357 ( 12.592 0.000 -0.451) 12.600 3.473 ( 19.135 0.000 -27.802) 33.751 3.787 ( 10.347 0.000 -18.837) 21.492 4.111 ( 10.921 0.000 -24.513) 26.836 5.171 ( -12.329 0.000 7.371) 14.365 5.367 ( -12.559 0.000 -8.246) 15.024 5.533 ( -2.964 0.000 3.985) 4.966 5.606 ( -8.475 0.000 1.431) 8.595 5.665 ( 3.613 0.000 20.773) 21.085 5.712 ( 5.786 0.000 5.056) 7.684 5.967 ( 5.039 0.000 -0.761) 5.096 6.007 ( -4.982 0.000 -0.551) 5.012 6.098 ( -7.621 0.000 -1.385) 7.746 6.098 ( 0.375 0.000 -7.849) 7.858 6.305 ( -1.224 0.000 9.902) 9.977 6.464 ( -2.434 0.000 13.048) 13.273 6.479 ( -7.872 0.000 3.930) 8.798 6.660 ( -0.409 0.000 -3.589) 3.612 6.755 ( 1.489 0.000 -1.169) 1.893 6.792 ( 13.517 0.000 2.232) 13.700 6.902 ( -5.206 0.000 5.202) 7.359 6.944 ( 5.249 0.000 -17.118) 17.905 7.021 ( -5.172 0.000 -3.389) 6.183 7.096 ( 2.309 0.000 -15.975) 16.141 7.513 ( 2.102 0.000 7.685) 7.967 7.685 ( 1.937 0.000 -6.191) 6.487 7.733 ( -11.172 0.000 9.246) 14.502 7.901 ( -4.376 0.000 1.688) 4.690 7.919 ( -2.816 0.000 -0.943) 2.970 8.011 ( 1.448 0.000 -1.940) 2.421 8.125 ( -0.542 0.000 2.669) 2.724 8.170 ( 4.524 0.000 -0.407) 4.542 8.327 ( 2.782 0.000 5.248) 5.939 8.479 ( 0.687 0.000 -6.271) 6.309 8.547 ( -3.880 0.000 6.407) 7.491 8.727 ( -5.608 0.000 -8.578) 10.249 8.911 ( -1.644 0.000 -1.807) 2.443 8.912 ( -0.085 0.000 -1.303) 1.306 9.094 ( -8.950 0.000 3.912) 9.768 9.164 ( -11.982 0.000 -2.120) 12.168 9.174 ( -4.038 0.000 8.200) 9.140 9.332 ( -3.689 0.000 -5.170) 6.351 12.588 ( 1.898 0.000 2.015) 2.768 12.642 ( 3.179 0.000 -2.423) 3.997 12.719 ( 5.460 0.000 0.744) 5.510 12.745 ( 3.169 0.000 -1.385) 3.459 12.812 ( 4.503 0.000 0.854) 4.583 12.843 ( 4.275 0.000 -1.629) 4.575 13.002 ( 5.330 0.000 4.583) 7.030 13.106 ( 4.998 0.000 -3.630) 6.177 13.244 ( 3.036 0.000 4.288) 5.255 13.356 ( 5.638 0.000 3.076) 6.422 13.359 ( 1.727 0.000 -4.821) 5.121 13.423 ( 4.867 0.000 -2.525) 5.483 13.671 ( 6.497 0.000 6.192) 8.975 13.843 ( 3.354 0.000 -7.897) 8.580 14.150 ( 1.931 0.000 2.775) 3.381 14.216 ( 1.014 0.000 -2.207) 2.428 14.294 ( 2.756 0.000 6.442) 7.007 14.409 ( 4.028 0.000 -1.265) 4.222 14.444 ( 4.903 0.000 -1.532) 5.137 14.455 ( 3.502 0.000 -4.715) 5.873 14.916 ( 0.270 0.000 3.596) 3.606 14.930 ( -0.177 0.000 1.253) 1.265 14.935 ( -1.697 0.000 1.749) 2.437 15.038 ( -0.498 0.000 -4.830) 4.856 15.656 ( 0.753 0.000 6.194) 6.239 15.834 ( -1.374 0.000 -8.799) 8.905 15.983 ( -10.363 0.000 1.040) 10.415 15.988 ( -7.803 0.000 0.564) 7.823 16.095 ( -1.063 0.000 2.079) 2.335 16.113 ( -1.614 0.000 3.932) 4.250 16.157 ( -0.667 0.000 -2.981) 3.055 16.184 ( -2.768 0.000 -0.127) 2.771 16.368 ( 0.876 0.000 3.807) 3.906 16.406 ( -2.382 0.000 0.351) 2.407 16.439 ( -2.306 0.000 1.069) 2.542 16.513 ( 1.961 0.000 6.503) 6.792 16.541 ( -3.837 0.000 -6.954) 7.942 16.687 ( 1.442 0.000 -7.898) 8.029 16.800 ( -5.226 0.000 3.138) 6.095 16.848 ( -3.793 0.000 -1.211) 3.981 16.943 ( 0.276 0.000 2.207) 2.224 16.947 ( 0.450 0.000 1.130) 1.217 17.086 ( -1.950 0.000 0.605) 2.041 17.124 ( -2.358 0.000 -2.070) 3.137 17.228 ( -3.343 0.000 1.488) 3.660 17.232 ( -0.226 0.000 0.557) 0.601 17.357 ( 0.618 0.000 -0.669) 0.911 17.361 ( -1.113 0.000 -0.570) 1.251 17.384 ( 0.110 0.000 0.689) 0.698 17.403 ( -0.137 0.000 -0.477) 0.496 17.512 ( -5.528 0.000 1.390) 5.700 17.530 ( -5.672 0.000 0.393) 5.685 17.628 ( 0.277 0.000 -1.471) 1.497 17.634 ( 1.270 0.000 -2.137) 2.485 17.751 ( 2.647 0.000 0.351) 2.670 17.798 ( 1.982 0.000 -2.337) 3.065 18.009 ( 1.466 0.000 3.744) 4.021 18.038 ( 2.162 0.000 3.623) 4.219 18.102 ( 1.842 0.000 -3.321) 3.797 18.115 ( 1.926 0.000 -2.539) 3.187 18.187 ( 0.545 0.000 3.347) 3.391 18.240 ( 1.545 0.000 -1.751) 2.335 18.324 ( 1.215 0.000 10.357) 10.428 18.550 ( 0.744 0.000 -6.954) 6.993 18.610 ( -3.708 0.000 2.677) 4.574 18.679 ( -4.828 0.000 -3.716) 6.093 18.755 ( 0.514 0.000 0.118) 0.527 18.811 ( 0.683 0.000 -4.108) 4.164 18.828 ( -5.641 0.000 0.764) 5.693 18.835 ( -5.495 0.000 -0.366) 5.507 18.873 ( -1.660 0.000 3.019) 3.445 18.936 ( -1.957 0.000 -1.978) 2.783 ======================= Grid point 101 (33/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 29.486 0.000 25.199) 38.786 1.822 ( 38.058 0.000 13.404) 40.349 2.261 ( 30.609 0.000 -21.976) 37.681 2.312 ( 26.883 0.000 -29.590) 39.978 3.075 ( 56.834 0.000 31.993) 65.220 3.470 ( 19.073 0.000 24.665) 31.179 3.676 ( 19.323 0.000 21.036) 28.564 4.023 ( 35.696 0.000 -42.547) 55.538 4.068 ( 18.004 0.000 -12.636) 21.996 4.404 ( 18.409 0.000 -22.664) 29.198 4.876 ( -17.422 0.000 7.829) 19.100 5.087 ( -15.447 0.000 -9.399) 18.082 5.384 ( -14.241 0.000 3.877) 14.760 5.420 ( -9.395 0.000 0.223) 9.397 5.719 ( 0.585 0.000 6.753) 6.778 5.752 ( -2.297 0.000 0.278) 2.313 5.894 ( -5.413 0.000 4.121) 6.803 5.972 ( -1.830 0.000 1.496) 2.364 6.047 ( 1.054 0.000 3.525) 3.679 6.151 ( -4.938 0.000 -5.972) 7.749 6.213 ( -2.095 0.000 1.513) 2.584 6.262 ( -12.215 0.000 1.668) 12.328 6.471 ( 5.521 0.000 19.631) 20.393 6.656 ( 0.797 0.000 4.287) 4.360 6.710 ( -9.518 0.000 8.842) 12.991 6.863 ( 4.577 0.000 -2.244) 5.098 6.864 ( -9.991 0.000 -3.590) 10.617 7.066 ( 11.162 0.000 -19.367) 22.353 7.100 ( 11.996 0.000 -0.786) 12.022 7.171 ( 5.057 0.000 -6.573) 8.293 7.424 ( -10.250 0.000 5.237) 11.510 7.584 ( -13.675 0.000 -8.142) 15.915 7.663 ( 4.183 0.000 6.496) 7.727 7.797 ( 1.367 0.000 -4.692) 4.887 7.994 ( 1.653 0.000 3.105) 3.517 8.032 ( 0.517 0.000 -0.283) 0.589 8.076 ( -1.603 0.000 8.836) 8.980 8.222 ( 0.678 0.000 -3.422) 3.489 8.393 ( 3.101 0.000 3.070) 4.363 8.454 ( -5.532 0.000 4.802) 7.325 8.499 ( 0.923 0.000 -4.910) 4.996 8.599 ( -7.273 0.000 -7.364) 10.350 8.796 ( -14.107 0.000 0.805) 14.130 8.816 ( -20.827 0.000 -0.451) 20.832 8.878 ( -8.776 0.000 0.448) 8.788 8.906 ( -2.955 0.000 -1.884) 3.504 9.060 ( -7.384 0.000 8.840) 11.518 9.228 ( -6.840 0.000 -5.391) 8.709 12.652 ( 4.754 0.000 2.490) 5.367 12.733 ( 5.988 0.000 -4.287) 7.365 12.827 ( 5.237 0.000 1.506) 5.449 12.845 ( 7.336 0.000 0.019) 7.336 12.937 ( 7.959 0.000 0.911) 8.010 12.978 ( 9.066 0.000 -2.347) 9.365 13.156 ( 10.137 0.000 5.088) 11.342 13.241 ( 7.859 0.000 -0.998) 7.922 13.322 ( 5.066 0.000 1.219) 5.210 13.399 ( 2.107 0.000 -4.131) 4.637 13.514 ( 9.911 0.000 1.788) 10.071 13.564 ( 9.179 0.000 -2.585) 9.536 13.822 ( 8.524 0.000 3.911) 9.378 13.922 ( 4.616 0.000 -4.319) 6.322 14.178 ( 0.687 0.000 1.832) 1.956 14.242 ( 1.252 0.000 -2.900) 3.159 14.387 ( 5.850 0.000 6.629) 8.841 14.514 ( 5.929 0.000 -1.792) 6.194 14.547 ( 5.908 0.000 -2.859) 6.564 14.564 ( 6.798 0.000 -1.966) 7.077 14.873 ( -4.497 0.000 2.996) 5.404 14.913 ( -0.529 0.000 3.368) 3.409 14.916 ( -1.665 0.000 -0.818) 1.855 15.018 ( -1.488 0.000 -4.603) 4.838 15.688 ( 2.773 0.000 4.718) 5.472 15.743 ( -8.254 0.000 2.206) 8.543 15.810 ( -9.497 0.000 -0.888) 9.539 15.852 ( -1.385 0.000 -6.946) 7.083 16.061 ( -1.934 0.000 3.007) 3.576 16.084 ( -1.076 0.000 3.623) 3.779 16.128 ( -1.943 0.000 -1.144) 2.255 16.148 ( -0.595 0.000 -1.324) 1.451 16.333 ( -4.909 0.000 0.255) 4.916 16.336 ( -5.274 0.000 -0.289) 5.282 16.407 ( 0.286 0.000 1.750) 1.773 16.483 ( -2.261 0.000 -4.502) 5.038 16.548 ( 1.620 0.000 4.895) 5.156 16.683 ( -2.668 0.000 -4.672) 5.380 16.696 ( -4.172 0.000 1.998) 4.626 16.763 ( -4.823 0.000 -2.144) 5.279 16.915 ( -2.691 0.000 3.041) 4.061 16.932 ( -1.813 0.000 1.445) 2.318 17.053 ( -1.910 0.000 -0.583) 1.997 17.076 ( -3.080 0.000 -2.576) 4.015 17.176 ( -2.261 0.000 1.138) 2.531 17.200 ( -2.853 0.000 -0.642) 2.924 17.333 ( -2.889 0.000 0.476) 2.927 17.349 ( -1.898 0.000 -0.838) 2.075 17.380 ( -0.751 0.000 1.204) 1.419 17.395 ( -1.103 0.000 0.178) 1.118 17.412 ( -3.246 0.000 0.499) 3.284 17.427 ( -3.210 0.000 -0.756) 3.298 17.647 ( 1.211 0.000 -0.503) 1.311 17.664 ( 1.474 0.000 -1.804) 2.330 17.781 ( 0.349 0.000 0.926) 0.990 17.828 ( 0.508 0.000 -2.383) 2.436 18.051 ( 2.796 0.000 3.820) 4.734 18.094 ( 3.276 0.000 1.826) 3.751 18.151 ( 0.108 0.000 0.342) 0.359 18.155 ( 3.565 0.000 -3.206) 4.794 18.198 ( 1.452 0.000 4.073) 4.324 18.278 ( 2.019 0.000 -1.593) 2.572 18.339 ( 0.523 0.000 5.678) 5.702 18.506 ( -5.943 0.000 -7.265) 9.386 18.539 ( -3.149 0.000 2.654) 4.119 18.598 ( -2.235 0.000 -1.906) 2.937 18.672 ( -9.608 0.000 0.563) 9.624 18.677 ( -9.288 0.000 0.495) 9.301 18.752 ( -1.030 0.000 0.360) 1.091 18.804 ( -1.754 0.000 -3.913) 4.288 18.831 ( -2.500 0.000 2.665) 3.654 18.883 ( -3.196 0.000 -1.614) 3.580 ======================= Grid point 102 (34/60) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 31.366 0.000 21.739) 38.163 2.565 ( 37.639 0.000 9.320) 38.776 2.851 ( 28.139 0.000 -27.668) 39.464 2.891 ( 33.237 0.000 -16.886) 37.281 3.877 ( 22.044 0.000 19.134) 29.190 4.081 ( 21.496 0.000 14.654) 26.016 4.215 ( 57.848 0.000 19.647) 61.093 4.415 ( 14.374 0.000 -2.880) 14.660 4.497 ( -19.241 0.000 8.223) 20.924 4.756 ( 6.958 0.000 -16.186) 17.618 4.805 ( 20.695 0.000 -19.203) 28.232 4.850 ( 23.317 0.000 -25.153) 34.298 5.059 ( -18.638 0.000 4.075) 19.078 5.158 ( -17.076 0.000 -3.700) 17.472 5.625 ( -12.096 0.000 -1.167) 12.152 5.640 ( -10.122 0.000 -1.013) 10.172 5.807 ( -2.974 0.000 9.366) 9.827 5.873 ( -8.577 0.000 3.780) 9.373 5.966 ( -8.019 0.000 -2.835) 8.505 5.988 ( -2.896 0.000 -5.752) 6.440 6.180 ( 3.570 0.000 3.045) 4.692 6.257 ( 1.205 0.000 -3.145) 3.368 6.461 ( -10.266 0.000 7.997) 13.013 6.605 ( -11.667 0.000 -3.622) 12.216 6.685 ( 9.705 0.000 22.967) 24.934 6.763 ( 6.022 0.000 10.920) 12.471 6.920 ( 0.122 0.000 1.680) 1.685 7.125 ( -9.203 0.000 -14.258) 16.971 7.274 ( 5.887 0.000 -3.941) 7.084 7.337 ( 3.536 0.000 2.098) 4.112 7.376 ( 14.313 0.000 -6.611) 15.766 7.400 ( 1.020 0.000 -6.132) 6.217 7.754 ( 3.989 0.000 2.563) 4.741 7.815 ( -2.692 0.000 0.596) 2.758 7.870 ( -7.768 0.000 5.501) 9.519 8.013 ( -3.517 0.000 -2.747) 4.463 8.166 ( 1.106 0.000 0.760) 1.342 8.202 ( -3.910 0.000 -3.315) 5.126 8.244 ( -24.462 0.000 1.662) 24.519 8.274 ( -20.125 0.000 -1.190) 20.161 8.335 ( -6.874 0.000 3.587) 7.754 8.445 ( -8.321 0.000 -5.394) 9.917 8.564 ( -1.741 0.000 1.457) 2.270 8.592 ( 2.344 0.000 -1.148) 2.610 8.726 ( -7.899 0.000 3.776) 8.755 8.845 ( -4.495 0.000 -5.118) 6.812 8.908 ( -7.472 0.000 8.972) 11.676 9.076 ( -8.405 0.000 -5.300) 9.936 12.773 ( 7.566 0.000 2.968) 8.127 12.872 ( 8.167 0.000 -5.274) 9.722 12.948 ( 7.056 0.000 3.365) 7.817 13.000 ( 8.268 0.000 -0.777) 8.305 13.095 ( 7.272 0.000 1.765) 7.483 13.165 ( 9.287 0.000 -3.923) 10.082 13.341 ( 2.066 0.000 2.975) 3.622 13.378 ( 12.201 0.000 5.159) 13.247 13.429 ( 0.787 0.000 -3.672) 3.756 13.473 ( 10.068 0.000 -2.223) 10.310 13.718 ( 10.585 0.000 1.083) 10.641 13.763 ( 10.814 0.000 -2.886) 11.192 13.988 ( 8.121 0.000 1.185) 8.207 14.014 ( 4.603 0.000 -1.218) 4.762 14.174 ( -1.454 0.000 1.868) 2.367 14.245 ( -1.482 0.000 -3.448) 3.753 14.466 ( 1.015 0.000 8.164) 8.227 14.606 ( 2.886 0.000 -2.030) 3.528 14.665 ( 0.549 0.000 -0.695) 0.886 14.673 ( 5.904 0.000 -2.893) 6.574 14.785 ( -1.668 0.000 1.755) 2.422 14.862 ( -3.093 0.000 -4.699) 5.626 14.904 ( -0.191 0.000 3.279) 3.284 14.986 ( -1.688 0.000 -2.811) 3.279 15.627 ( -2.367 0.000 2.830) 3.689 15.654 ( -5.537 0.000 0.430) 5.554 15.765 ( 4.323 0.000 2.569) 5.029 15.864 ( 2.030 0.000 -6.282) 6.602 16.040 ( 0.256 0.000 3.255) 3.265 16.074 ( -0.086 0.000 4.260) 4.261 16.103 ( -0.880 0.000 -0.799) 1.189 16.156 ( 0.437 0.000 -2.050) 2.096 16.226 ( -3.273 0.000 1.253) 3.504 16.244 ( -2.906 0.000 -0.337) 2.926 16.408 ( -0.463 0.000 -0.280) 0.541 16.443 ( -1.947 0.000 -2.629) 3.272 16.572 ( -6.149 0.000 3.074) 6.875 16.584 ( 1.959 0.000 1.670) 2.574 16.668 ( -4.376 0.000 -2.102) 4.855 16.672 ( -0.247 0.000 -2.763) 2.774 16.848 ( -4.050 0.000 2.581) 4.803 16.883 ( -3.055 0.000 0.868) 3.176 16.992 ( -5.454 0.000 -1.775) 5.736 17.001 ( -3.334 0.000 -1.360) 3.601 17.127 ( -3.013 0.000 0.162) 3.018 17.129 ( -4.379 0.000 0.076) 4.380 17.235 ( -6.192 0.000 1.634) 6.404 17.273 ( -5.202 0.000 -1.403) 5.388 17.368 ( -0.299 0.000 0.547) 0.624 17.370 ( -0.586 0.000 0.282) 0.650 17.395 ( -0.253 0.000 0.342) 0.425 17.404 ( -0.434 0.000 -0.546) 0.698 17.666 ( 0.592 0.000 0.329) 0.678 17.685 ( 0.609 0.000 -1.161) 1.311 17.764 ( -2.051 0.000 0.933) 2.253 17.805 ( -2.920 0.000 -2.069) 3.579 18.105 ( -3.082 0.000 4.761) 5.672 18.114 ( 3.281 0.000 4.205) 5.333 18.150 ( 2.003 0.000 -0.632) 2.100 18.229 ( 3.269 0.000 -4.421) 5.498 18.246 ( 2.011 0.000 0.647) 2.112 18.301 ( -0.203 0.000 -2.362) 2.371 18.349 ( -0.132 0.000 2.606) 2.609 18.393 ( -3.295 0.000 -1.593) 3.660 18.465 ( -6.974 0.000 0.739) 7.013 18.494 ( -8.051 0.000 -1.127) 8.130 18.507 ( -3.268 0.000 2.432) 4.073 18.568 ( -1.940 0.000 -2.558) 3.210 18.726 ( -1.473 0.000 0.546) 1.571 18.762 ( -2.157 0.000 -2.452) 3.266 18.781 ( -2.583 0.000 1.874) 3.191 18.819 ( -3.263 0.000 -1.157) 3.462 ======================= Grid point 103 (35/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 31.279 0.000 18.201) 36.190 3.267 ( 33.610 0.000 3.555) 33.798 3.405 ( 28.885 0.000 -21.425) 35.964 3.522 ( 29.682 0.000 -11.242) 31.740 4.005 ( -19.513 0.000 9.761) 21.818 4.299 ( -19.287 0.000 -11.398) 22.404 4.352 ( 14.224 0.000 11.562) 18.330 4.437 ( 2.911 0.000 6.038) 6.703 4.644 ( -6.203 0.000 6.439) 8.941 4.773 ( -17.739 0.000 -5.121) 18.464 4.961 ( 16.404 0.000 -0.140) 16.405 5.187 ( 13.844 0.000 -12.924) 18.939 5.284 ( -13.128 0.000 5.271) 14.147 5.285 ( 7.843 0.000 1.601) 8.005 5.349 ( 26.550 0.000 7.782) 27.667 5.521 ( 2.414 0.000 -4.560) 5.159 5.771 ( -1.501 0.000 2.554) 2.963 5.873 ( 15.416 0.000 -7.231) 17.028 5.875 ( 1.671 0.000 3.481) 3.862 5.999 ( 6.815 0.000 -8.700) 11.051 6.193 ( -2.682 0.000 1.984) 3.336 6.284 ( 1.378 0.000 -5.221) 5.400 6.370 ( -5.316 0.000 -0.633) 5.353 6.381 ( 2.009 0.000 -1.515) 2.517 6.675 ( -7.313 0.000 5.330) 9.049 6.845 ( -15.028 0.000 -9.523) 17.791 6.951 ( 9.840 0.000 14.122) 17.213 7.100 ( 16.113 0.000 8.603) 18.266 7.353 ( -4.863 0.000 -0.636) 4.905 7.373 ( -23.753 0.000 0.772) 23.766 7.479 ( -14.925 0.000 8.353) 17.104 7.483 ( 7.893 0.000 3.582) 8.668 7.655 ( 6.026 0.000 -1.678) 6.255 7.694 ( -22.871 0.000 -7.824) 24.172 7.771 ( -0.697 0.000 1.495) 1.650 7.804 ( -0.130 0.000 -1.068) 1.076 7.835 ( -1.151 0.000 -3.260) 3.458 7.922 ( -6.815 0.000 -6.868) 9.676 8.160 ( -7.123 0.000 4.149) 8.243 8.178 ( -8.653 0.000 1.323) 8.753 8.310 ( -2.611 0.000 -3.094) 4.048 8.343 ( 8.206 0.000 -5.161) 9.694 8.483 ( -7.904 0.000 6.594) 10.294 8.656 ( 0.953 0.000 -3.130) 3.272 8.665 ( 1.811 0.000 2.580) 3.152 8.732 ( -4.528 0.000 -5.945) 7.473 8.789 ( -4.744 0.000 7.882) 9.199 8.920 ( -7.239 0.000 -3.171) 7.903 12.936 ( 8.675 0.000 3.192) 9.244 13.038 ( 8.344 0.000 -5.285) 9.877 13.089 ( 6.482 0.000 3.141) 7.203 13.145 ( 5.605 0.000 -1.528) 5.810 13.182 ( 1.553 0.000 3.980) 4.272 13.306 ( 4.642 0.000 -5.683) 7.338 13.337 ( -2.330 0.000 3.243) 3.993 13.422 ( -1.486 0.000 -3.473) 3.778 13.627 ( 13.321 0.000 3.941) 13.891 13.687 ( 11.668 0.000 -1.214) 11.731 13.913 ( 8.914 0.000 1.063) 8.978 13.956 ( 7.213 0.000 -2.037) 7.495 14.089 ( 1.466 0.000 2.665) 3.042 14.102 ( -5.282 0.000 0.257) 5.288 14.117 ( 3.799 0.000 -1.837) 4.220 14.184 ( -3.062 0.000 -3.612) 4.735 14.429 ( -3.000 0.000 9.973) 10.415 14.556 ( -7.951 0.000 4.496) 9.135 14.620 ( -0.885 0.000 -5.202) 5.277 14.691 ( -3.722 0.000 -6.541) 7.526 14.839 ( 3.690 0.000 -0.347) 3.706 14.872 ( 3.565 0.000 -3.822) 5.226 14.903 ( -0.178 0.000 1.870) 1.879 14.955 ( -1.406 0.000 -1.981) 2.429 15.619 ( 2.117 0.000 3.307) 3.926 15.662 ( 5.480 0.000 0.343) 5.491 15.799 ( -1.848 0.000 3.690) 4.126 15.892 ( -0.758 0.000 -4.840) 4.899 16.064 ( 1.011 0.000 1.611) 1.902 16.070 ( 0.343 0.000 1.289) 1.334 16.073 ( -2.532 0.000 1.367) 2.878 16.093 ( -2.682 0.000 -0.806) 2.800 16.271 ( 4.563 0.000 3.311) 5.638 16.341 ( 11.616 0.000 -0.053) 11.616 16.405 ( 0.872 0.000 -2.574) 2.718 16.414 ( -1.574 0.000 0.640) 1.699 16.470 ( -1.933 0.000 0.471) 1.990 16.547 ( -4.818 0.000 -3.899) 6.198 16.675 ( -1.000 0.000 2.073) 2.302 16.676 ( 4.230 0.000 1.181) 4.392 16.776 ( -1.775 0.000 -1.186) 2.135 16.804 ( -6.131 0.000 -2.011) 6.452 16.878 ( -5.556 0.000 1.876) 5.864 16.931 ( -3.879 0.000 -1.962) 4.346 17.036 ( -4.362 0.000 1.201) 4.524 17.062 ( -3.049 0.000 -0.801) 3.152 17.108 ( -6.509 0.000 2.259) 6.889 17.152 ( -6.919 0.000 -1.409) 7.061 17.368 ( 0.295 0.000 0.086) 0.308 17.369 ( 0.344 0.000 0.114) 0.362 17.389 ( -0.405 0.000 0.190) 0.448 17.394 ( -0.639 0.000 -0.292) 0.703 17.671 ( 0.006 0.000 0.764) 0.764 17.688 ( -0.104 0.000 -0.598) 0.607 17.711 ( -2.754 0.000 0.511) 2.801 17.733 ( -3.531 0.000 -1.093) 3.696 18.065 ( -0.443 0.000 3.905) 3.930 18.160 ( -0.228 0.000 -3.852) 3.858 18.162 ( -0.581 0.000 3.103) 3.157 18.233 ( -1.773 0.000 2.369) 2.959 18.235 ( -2.791 0.000 -3.452) 4.440 18.300 ( -2.023 0.000 4.138) 4.606 18.311 ( 1.796 0.000 -3.231) 3.696 18.376 ( -0.708 0.000 -1.242) 1.430 18.411 ( 0.816 0.000 0.276) 0.862 18.424 ( 1.529 0.000 -0.505) 1.611 18.477 ( -0.938 0.000 1.302) 1.605 18.522 ( -2.773 0.000 -2.591) 3.795 18.703 ( -0.659 0.000 0.780) 1.021 18.731 ( -0.877 0.000 -1.438) 1.684 18.734 ( -2.074 0.000 1.311) 2.453 18.763 ( -2.359 0.000 -0.912) 2.529 ======================= Grid point 104 (36/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -27.908 0.000 14.854) 31.615 3.446 ( 27.908 0.000 14.854) 31.615 3.829 ( -20.156 0.000 -11.139) 23.029 3.829 ( 20.156 0.000 -11.139) 23.029 4.013 ( -24.328 0.000 -3.580) 24.590 4.013 ( 24.328 0.000 -3.580) 24.590 4.156 ( -26.388 0.000 -9.511) 28.050 4.156 ( 26.388 0.000 -9.511) 28.050 4.885 ( -20.256 0.000 7.766) 21.694 4.885 ( 20.256 0.000 7.766) 21.694 4.925 ( -18.506 0.000 7.579) 19.997 4.925 ( 18.506 0.000 7.579) 19.997 5.322 ( -16.135 0.000 2.848) 16.385 5.322 ( 16.135 0.000 2.848) 16.385 5.510 ( -11.791 0.000 -10.244) 15.619 5.510 ( 11.791 0.000 -10.244) 15.619 6.002 ( -7.174 0.000 1.789) 7.393 6.002 ( 7.174 0.000 1.789) 7.393 6.007 ( -4.485 0.000 1.064) 4.609 6.007 ( 4.485 0.000 1.064) 4.609 6.446 ( -1.693 0.000 -0.049) 1.693 6.446 ( 1.693 0.000 -0.049) 1.693 6.452 ( -24.929 0.000 1.937) 25.004 6.452 ( 24.929 0.000 1.937) 25.004 6.603 ( -5.984 0.000 0.240) 5.989 6.603 ( 5.984 0.000 0.240) 5.989 6.814 ( -34.758 0.000 -14.717) 37.745 6.814 ( 34.758 0.000 -14.717) 37.745 7.245 ( -12.706 0.000 12.931) 18.129 7.245 ( 12.706 0.000 12.931) 18.129 7.398 ( -11.078 0.000 1.701) 11.207 7.398 ( 11.078 0.000 1.701) 11.207 7.715 ( -7.064 0.000 4.741) 8.507 7.715 ( 7.064 0.000 4.741) 8.507 7.749 ( -4.267 0.000 -1.061) 4.397 7.749 ( 4.267 0.000 -1.061) 4.397 7.957 ( -9.667 0.000 -2.498) 9.984 7.957 ( 9.667 0.000 -2.498) 9.984 7.982 ( -11.323 0.000 -1.747) 11.457 7.982 ( 11.323 0.000 -1.747) 11.457 8.350 ( -5.000 0.000 2.647) 5.658 8.350 ( 5.000 0.000 2.647) 5.658 8.516 ( -9.472 0.000 -9.894) 13.697 8.516 ( 9.472 0.000 -9.894) 13.697 8.716 ( -3.056 0.000 5.644) 6.418 8.716 ( 3.056 0.000 5.644) 6.418 8.794 ( -5.825 0.000 -0.717) 5.869 8.794 ( 5.825 0.000 -0.717) 5.869 13.087 ( -5.971 0.000 2.766) 6.581 13.087 ( 5.971 0.000 2.766) 6.581 13.167 ( -3.753 0.000 -3.687) 5.261 13.167 ( 3.753 0.000 -3.687) 5.261 13.256 ( -5.610 0.000 4.559) 7.229 13.256 ( 5.610 0.000 4.559) 7.229 13.374 ( -3.212 0.000 -4.912) 5.869 13.374 ( 3.212 0.000 -4.912) 5.869 13.884 ( -12.165 0.000 2.168) 12.356 13.884 ( 12.165 0.000 2.168) 12.356 13.909 ( -10.023 0.000 -0.338) 10.028 13.909 ( 10.023 0.000 -0.338) 10.028 14.079 ( -4.357 0.000 2.223) 4.892 14.079 ( 4.357 0.000 2.223) 4.892 14.168 ( -2.510 0.000 -4.230) 4.919 14.168 ( 2.510 0.000 -4.230) 4.919 14.428 ( -3.833 0.000 8.043) 8.910 14.428 ( 3.833 0.000 8.043) 8.910 14.621 ( -2.057 0.000 -7.484) 7.762 14.621 ( 2.057 0.000 -7.484) 7.762 14.889 ( -1.484 0.000 0.723) 1.651 14.889 ( 1.484 0.000 0.723) 1.651 14.927 ( -1.849 0.000 -2.589) 3.181 14.927 ( 1.849 0.000 -2.589) 3.181 15.711 ( -5.980 0.000 4.818) 7.680 15.711 ( 5.980 0.000 4.818) 7.680 15.801 ( -7.480 0.000 -2.453) 7.872 15.801 ( 7.480 0.000 -2.453) 7.872 16.059 ( -1.078 0.000 1.062) 1.513 16.059 ( 1.078 0.000 1.062) 1.513 16.076 ( -0.491 0.000 -0.148) 0.513 16.076 ( 0.491 0.000 -0.148) 0.513 16.343 ( -3.608 0.000 4.328) 5.634 16.343 ( 3.608 0.000 4.328) 5.634 16.451 ( -3.845 0.000 -4.663) 6.044 16.451 ( 3.845 0.000 -4.663) 6.044 16.573 ( -8.028 0.000 1.010) 8.092 16.573 ( 8.028 0.000 1.010) 8.092 16.606 ( -12.907 0.000 -1.351) 12.977 16.606 ( 12.907 0.000 -1.351) 12.977 16.778 ( -5.170 0.000 1.965) 5.531 16.778 ( 5.170 0.000 1.965) 5.531 16.831 ( -5.755 0.000 -2.571) 6.303 16.831 ( 5.755 0.000 -2.571) 6.303 17.012 ( -2.390 0.000 2.093) 3.177 17.012 ( 2.390 0.000 2.093) 3.177 17.048 ( -2.484 0.000 -1.079) 2.708 17.048 ( 2.484 0.000 -1.079) 2.708 17.378 ( -0.653 0.000 0.023) 0.653 17.378 ( 0.653 0.000 0.023) 0.653 17.380 ( -0.743 0.000 -0.118) 0.752 17.380 ( 0.743 0.000 -0.118) 0.752 17.676 ( -0.827 0.000 0.676) 1.069 17.676 ( 0.827 0.000 0.676) 1.069 17.691 ( -0.793 0.000 -0.527) 0.952 17.691 ( 0.793 0.000 -0.527) 0.952 18.093 ( -3.253 0.000 2.758) 4.265 18.093 ( 3.253 0.000 2.758) 4.265 18.176 ( -2.171 0.000 -4.162) 4.694 18.176 ( 2.171 0.000 -4.162) 4.694 18.261 ( -2.340 0.000 4.367) 4.954 18.261 ( 2.340 0.000 4.367) 4.954 18.351 ( -1.850 0.000 -1.994) 2.720 18.351 ( 1.850 0.000 -1.994) 2.720 18.456 ( -1.397 0.000 -0.137) 1.403 18.456 ( 1.397 0.000 -0.137) 1.403 18.463 ( -3.213 0.000 -1.187) 3.425 18.463 ( 3.213 0.000 -1.187) 3.425 18.705 ( -0.850 0.000 1.040) 1.343 18.705 ( 0.850 0.000 1.040) 1.343 18.731 ( -0.855 0.000 -1.005) 1.320 18.731 ( 0.855 0.000 -1.005) 1.320 ======================= Grid point 110 (37/60) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 30.585 24.107) 38.943 1.181 ( 0.000 29.655 25.260) 38.955 1.790 ( 0.000 25.557 -24.943) 35.712 1.827 ( 0.000 19.766 -32.324) 37.888 2.002 ( 0.000 30.773 51.875) 60.315 3.207 ( 0.000 13.377 21.524) 25.342 3.385 ( 0.000 15.612 -52.241) 54.524 3.403 ( 0.000 10.557 33.676) 35.292 3.828 ( 0.000 13.444 -21.764) 25.582 4.083 ( 0.000 7.800 -23.992) 25.228 5.215 ( 0.000 -9.192 4.187) 10.101 5.277 ( 0.000 -15.386 -1.195) 15.433 5.500 ( 0.000 -11.008 5.244) 12.193 5.569 ( 0.000 -5.682 15.282) 16.304 5.696 ( 0.000 4.013 -1.719) 4.366 5.728 ( 0.000 0.351 -4.018) 4.033 5.784 ( 0.000 -5.721 5.990) 8.283 5.942 ( 0.000 -7.121 5.604) 9.062 6.011 ( 0.000 -11.773 0.452) 11.782 6.147 ( 0.000 -0.777 -10.486) 10.515 6.327 ( 0.000 -6.874 11.768) 13.628 6.524 ( 0.000 -0.517 12.988) 12.999 6.589 ( 0.000 -5.920 -10.168) 11.766 6.605 ( 0.000 9.512 5.162) 10.822 6.620 ( 0.000 -1.834 9.852) 10.022 6.726 ( 0.000 -2.298 -3.672) 4.332 6.914 ( 0.000 2.156 -16.923) 17.060 6.926 ( 0.000 -7.228 3.246) 7.923 6.963 ( 0.000 0.351 0.574) 0.673 7.157 ( 0.000 5.903 -18.739) 19.647 7.580 ( 0.000 6.303 5.010) 8.052 7.699 ( 0.000 3.669 -4.470) 5.782 7.838 ( 0.000 -1.786 6.224) 6.475 7.940 ( 0.000 4.443 11.719) 12.532 7.950 ( 0.000 -3.253 -3.665) 4.900 8.060 ( 0.000 -0.553 2.259) 2.326 8.114 ( 0.000 1.143 -1.929) 2.242 8.135 ( 0.000 3.721 -5.534) 6.669 8.312 ( 0.000 1.124 6.676) 6.770 8.476 ( 0.000 0.354 -6.333) 6.342 8.541 ( 0.000 -4.830 7.870) 9.234 8.758 ( 0.000 -3.552 -10.184) 10.786 8.848 ( 0.000 -5.607 -1.215) 5.737 8.859 ( 0.000 -5.415 -2.360) 5.906 9.150 ( 0.000 -6.074 8.171) 10.181 9.154 ( 0.000 -2.815 5.718) 6.374 9.256 ( 0.000 -2.589 -3.109) 4.046 9.310 ( 0.000 -5.496 -5.314) 7.645 12.610 ( 0.000 3.585 1.976) 4.093 12.654 ( 0.000 3.697 -1.510) 3.994 12.679 ( 0.000 2.613 2.180) 3.402 12.749 ( 0.000 3.581 -3.714) 5.160 12.810 ( 0.000 3.946 1.329) 4.164 12.857 ( 0.000 4.809 -2.473) 5.408 12.958 ( 0.000 0.801 4.096) 4.174 13.067 ( 0.000 0.772 -4.825) 4.886 13.243 ( 0.000 2.111 4.915) 5.349 13.337 ( 0.000 2.136 -0.447) 2.182 13.368 ( 0.000 4.312 0.965) 4.418 13.435 ( 0.000 4.402 -4.082) 6.003 13.588 ( 0.000 -1.095 6.981) 7.066 13.789 ( 0.000 -1.279 -9.594) 9.679 14.132 ( 0.000 0.367 5.039) 5.052 14.242 ( 0.000 3.012 -3.797) 4.847 14.244 ( 0.000 -2.688 6.293) 6.843 14.389 ( 0.000 -2.820 -5.858) 6.501 14.389 ( 0.000 1.971 0.301) 1.994 14.421 ( 0.000 2.621 -1.950) 3.267 14.869 ( 0.000 -4.266 3.564) 5.558 14.901 ( 0.000 -1.466 4.446) 4.682 14.934 ( 0.000 -1.959 -0.006) 1.959 15.036 ( 0.000 -0.530 -4.928) 4.956 15.632 ( 0.000 -1.431 6.534) 6.689 15.811 ( 0.000 -2.489 -8.506) 8.863 16.095 ( 0.000 -0.173 0.240) 0.296 16.102 ( 0.000 -1.518 1.469) 2.112 16.110 ( 0.000 2.440 2.335) 3.378 16.139 ( 0.000 0.539 1.218) 1.332 16.156 ( 0.000 2.526 -0.831) 2.660 16.219 ( 0.000 -0.390 -2.807) 2.834 16.329 ( 0.000 -1.260 7.780) 7.881 16.423 ( 0.000 -1.725 6.850) 7.064 16.446 ( 0.000 0.483 -2.563) 2.608 16.526 ( 0.000 3.045 2.888) 4.197 16.616 ( 0.000 -1.728 -9.050) 9.213 16.627 ( 0.000 -0.195 -5.671) 5.674 16.858 ( 0.000 -3.064 3.017) 4.300 16.903 ( 0.000 0.171 -1.374) 1.384 16.906 ( 0.000 -0.631 1.542) 1.666 16.913 ( 0.000 -0.388 0.572) 0.691 17.074 ( 0.000 -2.909 1.591) 3.316 17.127 ( 0.000 -3.265 -2.103) 3.884 17.193 ( 0.000 -2.895 2.714) 3.968 17.266 ( 0.000 -3.302 -3.033) 4.484 17.306 ( 0.000 1.506 3.593) 3.896 17.340 ( 0.000 -2.583 0.795) 2.702 17.370 ( 0.000 -2.817 -1.206) 3.064 17.389 ( 0.000 0.779 -3.250) 3.342 17.603 ( 0.000 1.122 0.142) 1.131 17.610 ( 0.000 -1.178 -1.662) 2.037 17.620 ( 0.000 2.729 0.531) 2.780 17.653 ( 0.000 -1.845 4.458) 4.824 17.675 ( 0.000 0.123 -3.751) 3.753 17.745 ( 0.000 -1.974 -3.000) 3.591 17.959 ( 0.000 -4.326 5.217) 6.777 18.016 ( 0.000 -0.995 0.879) 1.328 18.030 ( 0.000 -3.869 -0.113) 3.870 18.047 ( 0.000 -3.931 -2.466) 4.640 18.219 ( 0.000 2.029 0.357) 2.060 18.246 ( 0.000 2.258 -1.763) 2.865 18.318 ( 0.000 0.008 10.347) 10.347 18.533 ( 0.000 -1.057 -7.159) 7.237 18.680 ( 0.000 2.453 2.583) 3.562 18.713 ( 0.000 -0.353 1.068) 1.125 18.751 ( 0.000 0.047 -1.725) 1.726 18.754 ( 0.000 0.840 -3.433) 3.534 18.913 ( 0.000 2.194 1.170) 2.486 18.939 ( 0.000 3.558 1.719) 3.951 18.943 ( 0.000 2.461 -1.433) 2.847 18.986 ( 0.000 2.428 -1.743) 2.988 ======================= Grid point 111 (38/60) ======================= q-point: ( 0.10 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 17.652 20.328 25.059) 36.780 1.465 ( 24.759 27.508 16.855) 40.667 1.983 ( 17.235 20.425 -26.472) 37.617 2.014 ( 18.103 17.668 -28.384) 38.020 2.373 ( 36.070 26.788 44.748) 63.412 3.309 ( 9.994 12.891 25.603) 30.357 3.474 ( 10.613 10.920 13.652) 20.452 3.612 ( 19.584 13.535 -36.032) 43.186 3.915 ( 8.901 12.006 -18.889) 24.087 4.190 ( 10.551 7.538 -23.247) 26.619 5.100 ( -10.228 -6.998 4.748) 13.271 5.209 ( -6.653 -12.650 -4.391) 14.952 5.543 ( -2.889 -6.427 3.525) 7.879 5.581 ( -3.159 -1.129 0.922) 3.479 5.629 ( 4.767 -3.965 13.892) 15.213 5.668 ( -3.201 -1.892 -0.449) 3.745 5.874 ( -0.491 -7.152 5.836) 9.244 5.945 ( 4.506 -5.400 1.989) 7.309 5.973 ( -3.548 -6.832 2.850) 8.209 6.130 ( -1.476 -1.088 -9.763) 9.934 6.277 ( -4.185 -4.933 9.571) 11.553 6.453 ( -8.021 -2.417 2.395) 8.713 6.493 ( -4.484 1.023 11.006) 11.928 6.574 ( -1.388 -4.250 -0.298) 4.481 6.662 ( -0.807 -6.960 -3.475) 7.821 6.838 ( 7.644 1.109 3.722) 8.574 6.907 ( 0.122 -2.332 -3.106) 3.886 6.955 ( 0.895 -0.265 -7.287) 7.346 6.976 ( 2.857 2.102 -2.370) 4.266 7.160 ( 0.971 5.107 -15.042) 15.915 7.587 ( 0.438 5.165 4.885) 7.123 7.706 ( 0.294 2.052 -4.629) 5.072 7.768 ( -10.784 3.401 8.077) 13.897 7.887 ( 1.738 -0.686 5.696) 5.994 7.919 ( -6.326 -0.097 -4.809) 7.947 7.991 ( -0.983 -1.301 -2.180) 2.723 8.143 ( -0.702 1.546 2.782) 3.259 8.194 ( 4.506 1.857 -1.033) 4.982 8.344 ( 3.128 1.522 5.013) 6.102 8.484 ( 0.437 0.091 -4.626) 4.647 8.486 ( -4.443 -5.447 5.685) 9.040 8.672 ( -6.642 -5.502 -8.728) 12.270 8.871 ( 1.140 -3.781 -1.261) 4.146 8.873 ( -0.162 -3.546 -2.058) 4.103 9.065 ( -8.942 -3.140 4.542) 10.509 9.112 ( -5.279 -4.948 6.047) 9.430 9.148 ( -9.683 -2.440 -0.225) 9.989 9.281 ( -3.011 -4.871 -5.318) 7.815 12.628 ( 1.986 3.691 2.100) 4.688 12.681 ( 3.199 3.637 -2.144) 5.297 12.743 ( 5.500 2.618 1.253) 6.219 12.783 ( 3.313 3.656 -2.120) 5.370 12.854 ( 4.412 3.887 1.065) 5.976 12.894 ( 4.096 4.729 -2.155) 6.617 13.009 ( 5.149 0.666 4.244) 6.705 13.115 ( 4.862 0.680 -4.362) 6.567 13.272 ( 2.881 2.256 4.578) 5.861 13.369 ( 2.416 1.396 -2.387) 3.672 13.405 ( 4.663 4.396 2.415) 6.848 13.472 ( 4.132 4.060 -3.795) 6.925 13.662 ( 6.760 -0.692 5.944) 9.028 13.829 ( 3.616 -1.227 -7.799) 8.684 14.152 ( 1.511 0.068 3.683) 3.981 14.237 ( 0.410 1.032 -1.765) 2.085 14.279 ( 3.213 -0.771 4.950) 5.952 14.406 ( 3.458 -1.010 -3.701) 5.165 14.446 ( 4.301 0.857 -0.849) 4.467 14.475 ( 4.784 2.051 -2.856) 5.937 14.869 ( -0.078 -4.207 3.403) 5.412 14.908 ( -0.187 -1.398 4.813) 5.015 14.924 ( -0.681 -1.849 -0.923) 2.176 15.033 ( -0.466 -0.501 -5.055) 5.101 15.634 ( 0.355 -1.530 6.055) 6.256 15.796 ( -1.476 -2.502 -7.449) 7.995 16.002 ( -9.440 1.781 1.779) 9.770 16.031 ( -6.658 2.549 -1.100) 7.214 16.087 ( -1.699 -0.527 1.923) 2.619 16.094 ( -1.801 -1.147 2.919) 3.617 16.158 ( -0.496 0.731 -0.880) 1.247 16.188 ( -2.788 0.728 -0.183) 2.888 16.345 ( 1.106 -1.200 2.793) 3.235 16.413 ( -2.228 -0.625 -1.101) 2.563 16.463 ( 0.448 1.489 2.168) 2.668 16.511 ( -0.485 0.830 5.279) 5.366 16.547 ( -3.484 0.332 -5.366) 6.406 16.670 ( 1.121 -1.835 -7.435) 7.740 16.799 ( -4.737 -0.605 3.081) 5.683 16.848 ( -3.706 0.040 -1.391) 3.959 16.916 ( -0.329 -2.729 2.421) 3.663 16.936 ( 0.147 -0.783 1.006) 1.283 17.046 ( -1.630 -2.558 0.634) 3.098 17.093 ( -2.498 -2.489 -2.426) 4.280 17.221 ( 1.398 -1.934 1.649) 2.901 17.259 ( -1.412 0.980 -0.762) 1.880 17.294 ( -0.501 -2.720 2.352) 3.630 17.331 ( -1.178 -2.389 0.667) 2.746 17.360 ( -1.121 -3.309 -0.902) 3.608 17.385 ( -0.188 0.088 -3.377) 3.383 17.539 ( -5.369 1.526 1.310) 5.733 17.561 ( -5.180 1.382 -0.224) 5.366 17.624 ( 1.110 0.320 -1.193) 1.660 17.629 ( 1.325 -0.293 -1.731) 2.200 17.738 ( 2.660 -1.249 0.951) 3.089 17.787 ( 2.609 -1.057 -2.268) 3.615 17.964 ( 0.589 -5.203 4.515) 6.914 18.008 ( -0.233 -1.618 1.265) 2.067 18.033 ( 0.817 -4.006 -0.436) 4.112 18.065 ( 1.630 -4.828 -2.065) 5.498 18.211 ( -0.193 1.038 2.847) 3.036 18.257 ( 1.314 1.694 -1.616) 2.685 18.353 ( 2.462 0.987 7.976) 8.405 18.555 ( 0.687 -1.783 -7.514) 7.753 18.637 ( -3.531 2.644 2.073) 4.874 18.683 ( -2.981 1.351 -1.139) 3.466 18.743 ( -0.687 0.136 -0.607) 0.927 18.766 ( 0.050 -0.972 -1.443) 1.740 18.856 ( -5.477 2.533 1.170) 6.146 18.877 ( -5.392 3.305 -0.561) 6.349 18.935 ( -1.257 3.214 0.541) 3.493 18.969 ( -1.741 2.550 -1.531) 3.446 ======================= Grid point 112 (39/60) ======================= q-point: ( 0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 26.837 12.933 22.289) 37.206 2.048 ( 33.308 19.763 10.753) 40.195 2.399 ( 24.436 11.871 -24.824) 36.800 2.474 ( 27.724 16.374 -22.257) 39.142 3.262 ( 51.895 17.537 29.605) 62.266 3.580 ( 17.400 10.430 23.568) 31.096 3.761 ( 17.812 8.074 21.618) 29.151 4.148 ( 31.599 11.563 -34.291) 48.043 4.164 ( 18.658 9.347 -18.789) 28.081 4.465 ( 16.645 5.551 -21.268) 27.572 4.853 ( -14.552 -2.492 6.363) 16.077 5.029 ( -11.210 -5.836 -8.563) 15.266 5.367 ( -11.851 0.083 3.743) 12.428 5.454 ( -11.040 1.232 -3.130) 11.541 5.680 ( -0.003 -6.160 1.257) 6.287 5.708 ( 3.047 -2.971 4.764) 6.388 5.854 ( -2.250 -3.885 7.253) 8.530 5.921 ( 0.066 -4.893 3.772) 6.178 5.985 ( -1.797 -4.748 3.250) 6.028 6.121 ( -1.006 -3.686 -7.714) 8.608 6.154 ( -7.832 -4.878 4.948) 10.470 6.243 ( -11.575 -1.764 0.890) 11.743 6.461 ( 2.318 -4.682 12.030) 13.116 6.518 ( -3.701 -3.007 4.940) 6.866 6.669 ( 0.243 -8.795 0.748) 8.830 6.819 ( -4.537 0.193 5.250) 6.941 6.905 ( -1.825 -0.771 0.123) 1.985 7.035 ( 7.170 -1.280 -16.164) 17.729 7.102 ( 7.239 -0.071 -0.207) 7.243 7.207 ( 2.697 2.050 -7.188) 7.946 7.502 ( -7.782 6.054 3.420) 10.436 7.611 ( -12.007 2.456 -6.202) 13.735 7.670 ( 1.918 0.664 5.365) 5.736 7.786 ( -0.943 -0.734 -4.299) 4.462 7.977 ( 2.183 -2.355 1.705) 3.636 7.985 ( -0.826 -0.965 1.586) 2.032 8.115 ( 0.010 1.921 6.781) 7.047 8.247 ( 0.816 1.975 -3.858) 4.410 8.379 ( -5.805 -6.841 5.167) 10.353 8.417 ( 3.322 2.171 2.866) 4.895 8.500 ( -0.770 -1.203 -4.786) 4.995 8.538 ( -6.158 -4.456 -7.202) 10.471 8.778 ( -15.397 -2.185 1.342) 15.609 8.793 ( -16.083 -2.070 -0.341) 16.219 8.868 ( -8.808 -1.048 0.213) 8.873 8.893 ( -1.552 -1.198 -1.806) 2.666 9.025 ( -6.304 -3.330 8.825) 11.345 9.195 ( -5.657 -3.132 -5.540) 8.515 12.692 ( 4.667 3.715 2.606) 6.509 12.772 ( 5.999 3.694 -4.000) 8.102 12.857 ( 5.606 2.862 1.534) 6.478 12.880 ( 6.882 3.348 -0.363) 7.662 12.976 ( 7.718 3.614 0.974) 8.577 13.021 ( 8.509 4.004 -2.571) 9.749 13.152 ( 9.004 -0.185 4.442) 10.041 13.248 ( 8.262 0.318 -2.988) 8.791 13.347 ( 4.535 2.490 2.780) 5.873 13.420 ( 3.023 1.976 -2.030) 4.143 13.544 ( 8.933 2.625 1.519) 9.434 13.598 ( 8.452 3.061 -3.473) 9.637 13.820 ( 8.864 -0.082 3.758) 9.628 13.916 ( 5.121 -0.479 -4.302) 6.705 14.173 ( 0.599 -0.588 2.697) 2.825 14.251 ( 0.718 0.621 -3.336) 3.468 14.378 ( 6.035 -0.761 6.582) 8.962 14.509 ( 6.260 -0.468 -3.306) 7.095 14.550 ( 6.142 0.912 -0.484) 6.228 14.585 ( 5.987 1.446 -3.172) 6.928 14.855 ( -2.583 -2.443 2.500) 4.346 14.873 ( -1.764 -1.844 3.479) 4.314 14.918 ( -0.629 -1.017 0.087) 1.198 15.013 ( -1.581 -0.456 -5.007) 5.270 15.645 ( 0.173 -2.074 4.817) 5.247 15.753 ( -2.736 -1.093 -3.308) 4.430 15.819 ( -7.975 2.653 2.245) 8.699 15.896 ( -5.404 2.636 -4.371) 7.433 16.045 ( -2.180 -1.238 2.875) 3.815 16.059 ( -1.393 -1.640 2.406) 3.228 16.133 ( -2.254 0.141 0.661) 2.353 16.147 ( -0.524 0.213 -1.675) 1.768 16.340 ( -3.633 0.551 -0.292) 3.686 16.344 ( -3.595 0.306 -0.225) 3.615 16.431 ( -1.776 2.415 1.509) 3.357 16.485 ( -2.238 -0.174 -3.089) 3.819 16.538 ( 1.647 -0.673 3.897) 4.284 16.665 ( -2.024 -1.695 -5.299) 5.920 16.699 ( -4.774 0.083 2.609) 5.441 16.761 ( -4.932 -0.232 -1.978) 5.319 16.888 ( -2.430 -2.886 3.148) 4.914 16.917 ( -1.889 -1.099 1.599) 2.708 17.019 ( -1.642 -2.590 -1.226) 3.302 17.040 ( -3.130 -2.507 -2.507) 4.729 17.208 ( -2.915 0.733 0.656) 3.077 17.215 ( -2.966 1.715 0.390) 3.448 17.281 ( -1.694 -4.045 1.435) 4.614 17.307 ( -1.083 -3.214 0.777) 3.480 17.322 ( -2.468 -4.105 0.372) 4.804 17.377 ( -0.771 -0.903 -2.964) 3.193 17.444 ( -3.715 2.055 1.093) 4.384 17.477 ( -3.094 2.298 -1.408) 4.103 17.644 ( 0.806 -0.113 -0.418) 0.915 17.656 ( 1.064 -0.680 -1.466) 1.935 17.766 ( 0.237 -1.414 1.573) 2.128 17.815 ( 0.029 -1.252 -1.820) 2.209 17.984 ( 1.324 -6.496 3.021) 7.286 18.015 ( 0.886 -4.048 0.690) 4.201 18.071 ( 2.872 -4.589 0.319) 5.423 18.108 ( 2.778 -6.114 -1.849) 6.966 18.211 ( -0.142 0.473 4.422) 4.449 18.288 ( 1.301 0.953 -2.172) 2.705 18.388 ( 1.062 1.717 4.634) 5.054 18.523 ( -3.740 -0.523 -5.611) 6.764 18.558 ( -4.536 2.524 2.069) 5.588 18.618 ( -4.505 0.788 -2.374) 5.153 18.696 ( -5.480 1.551 0.967) 5.776 18.704 ( -6.297 3.045 0.455) 7.009 18.762 ( -2.387 2.614 -0.125) 3.542 18.782 ( -2.294 1.588 -1.139) 3.013 18.898 ( -2.416 3.488 0.294) 4.253 18.924 ( -2.746 2.951 -1.204) 4.207 ======================= Grid point 113 (40/60) ======================= q-point: ( 0.30 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 30.266 9.769 19.046) 37.070 2.714 ( 34.185 13.112 5.966) 37.096 2.907 ( 27.379 7.711 -21.548) 35.684 3.055 ( 31.069 13.841 -17.355) 38.184 3.947 ( 19.538 6.517 18.470) 27.665 4.130 ( 20.305 4.980 15.675) 26.130 4.324 ( 52.828 10.051 16.947) 56.383 4.444 ( 1.983 2.270 0.496) 3.055 4.538 ( -6.296 4.092 3.150) 8.143 4.752 ( 5.566 -0.262 -10.196) 11.619 4.858 ( 4.567 3.964 -16.461) 17.537 4.925 ( 36.190 7.509 -25.512) 44.911 5.103 ( -12.265 4.142 0.023) 12.946 5.189 ( -15.642 3.030 -4.682) 16.606 5.612 ( -8.811 -1.031 0.188) 8.873 5.656 ( -10.534 1.068 -1.942) 10.765 5.802 ( -2.184 -2.574 7.055) 7.821 5.864 ( -6.386 0.200 6.198) 8.902 5.910 ( -5.139 -5.418 -2.019) 7.736 5.972 ( -4.142 -2.477 -1.421) 5.031 6.105 ( 1.332 -6.743 1.521) 7.040 6.174 ( 0.665 -5.307 -5.028) 7.341 6.396 ( -6.565 -6.200 6.295) 11.008 6.515 ( -5.275 -6.888 -0.699) 8.704 6.686 ( 5.110 -0.572 17.850) 18.576 6.779 ( 2.549 -0.315 10.463) 10.774 6.890 ( -0.382 -2.832 0.969) 3.018 7.098 ( -9.168 -2.352 -13.140) 16.194 7.195 ( 5.874 -6.680 -2.841) 9.338 7.230 ( 4.283 -3.652 -5.540) 7.898 7.440 ( -0.787 2.780 0.057) 2.890 7.495 ( 5.007 4.174 -2.616) 7.024 7.709 ( 0.216 -3.871 2.928) 4.858 7.777 ( -1.411 -4.308 -2.683) 5.268 7.861 ( -7.420 -0.072 8.394) 11.204 8.012 ( -0.967 1.017 -3.561) 3.828 8.164 ( -4.057 -1.055 0.813) 4.270 8.209 ( -25.550 -1.753 0.451) 25.614 8.244 ( -4.758 -0.291 -0.946) 4.860 8.250 ( -6.591 -0.316 -1.003) 6.675 8.319 ( -12.087 -0.177 0.447) 12.097 8.397 ( -6.516 -4.158 -5.686) 9.595 8.589 ( -0.085 2.054 1.955) 2.837 8.616 ( 2.152 1.709 -0.957) 2.909 8.734 ( -6.903 0.901 4.101) 8.079 8.847 ( -4.203 0.025 -3.101) 5.223 8.901 ( -5.634 -0.528 7.355) 9.280 9.068 ( -7.120 -0.820 -5.458) 9.009 12.810 ( 7.277 3.380 3.082) 8.595 12.909 ( 7.875 3.437 -5.013) 9.948 12.977 ( 6.831 2.783 3.067) 7.988 13.030 ( 8.041 2.811 -0.919) 8.568 13.126 ( 6.720 2.899 1.719) 7.518 13.197 ( 8.632 2.936 -3.937) 9.931 13.308 ( 5.044 -1.657 3.580) 6.403 13.401 ( 5.070 -1.201 -3.912) 6.515 13.443 ( 7.147 4.086 4.189) 9.237 13.514 ( 7.844 2.982 -1.091) 8.463 13.731 ( 9.860 1.089 1.006) 9.971 13.784 ( 10.229 1.931 -3.659) 11.034 13.991 ( 8.259 0.459 1.340) 8.379 14.020 ( 5.266 0.543 -1.185) 5.425 14.172 ( -0.993 -0.166 2.440) 2.640 14.249 ( -1.334 0.364 -3.535) 3.796 14.462 ( 1.389 -0.382 8.193) 8.319 14.609 ( 3.189 0.232 -2.601) 4.121 14.663 ( 1.203 0.020 -0.220) 1.223 14.684 ( 5.008 0.860 -3.195) 6.002 14.785 ( -1.560 -0.065 1.500) 2.165 14.846 ( -1.672 -1.598 -1.940) 3.018 14.899 ( -0.738 -0.517 1.191) 1.493 14.978 ( -1.837 -0.747 -3.328) 3.874 15.614 ( -1.524 -0.844 3.867) 4.242 15.668 ( -5.091 1.165 -0.429) 5.240 15.779 ( 2.559 1.162 1.592) 3.230 15.861 ( 0.914 -0.232 -5.541) 5.620 16.025 ( 0.544 -1.498 3.361) 3.720 16.052 ( 0.601 -0.816 2.528) 2.723 16.105 ( -0.982 -0.680 1.175) 1.675 16.150 ( 1.234 -0.340 -2.015) 2.387 16.244 ( -3.851 1.715 1.407) 4.445 16.276 ( -2.675 2.424 -0.605) 3.660 16.407 ( -1.208 -0.086 -0.029) 1.212 16.444 ( -2.090 0.008 -2.522) 3.276 16.570 ( -5.889 -0.221 2.693) 6.479 16.578 ( 2.342 -0.482 1.363) 2.752 16.642 ( -3.382 -1.532 -0.903) 3.821 16.684 ( -1.447 -0.124 -3.781) 4.050 16.826 ( -3.712 -2.129 2.499) 4.955 16.869 ( -2.964 -1.247 0.655) 3.281 16.955 ( -4.855 -3.131 -1.149) 5.890 16.980 ( -3.060 -1.736 -1.614) 3.870 17.127 ( -4.992 -0.185 0.815) 5.062 17.141 ( -4.638 0.457 -0.434) 4.681 17.210 ( -5.411 -2.027 1.652) 6.010 17.241 ( -4.789 -3.122 -0.819) 5.775 17.311 ( 0.278 -3.727 2.439) 4.463 17.360 ( -0.655 -1.260 -1.095) 1.793 17.401 ( -1.149 0.638 0.143) 1.322 17.438 ( -1.279 1.656 -2.049) 2.928 17.651 ( -0.028 -1.243 0.369) 1.297 17.665 ( -0.091 -1.644 -0.711) 1.794 17.747 ( -2.146 -1.769 1.091) 2.987 17.783 ( -3.292 -1.967 -1.539) 4.132 18.009 ( 1.274 -5.894 2.800) 6.649 18.044 ( 1.965 -4.973 -0.056) 5.348 18.132 ( 2.961 -5.188 0.935) 6.046 18.164 ( 2.553 -7.024 -1.200) 7.569 18.199 ( -0.944 -0.016 2.473) 2.647 18.279 ( -2.499 -0.196 -3.600) 4.386 18.399 ( -0.556 -1.402 2.525) 2.941 18.448 ( -5.253 -0.427 -1.113) 5.387 18.466 ( -5.426 2.505 -0.305) 5.984 18.475 ( -4.736 4.280 -0.247) 6.388 18.574 ( -4.383 4.331 2.458) 6.634 18.639 ( -2.291 4.656 -2.808) 5.900 18.740 ( -0.231 3.065 0.277) 3.087 18.757 ( -0.743 1.825 -0.718) 2.097 18.848 ( -2.615 3.833 0.343) 4.653 18.869 ( -2.751 3.595 -0.936) 4.622 ======================= Grid point 114 (41/60) ======================= q-point: ( 0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 30.403 7.919 15.879) 35.203 3.343 ( 29.418 5.907 -6.199) 30.639 3.464 ( 29.842 8.019 -7.891) 31.892 3.648 ( 27.823 11.048 -12.158) 32.310 4.039 ( -17.436 3.190 7.796) 19.364 4.251 ( -9.332 -1.422 -4.373) 10.404 4.446 ( -2.508 5.788 7.079) 9.482 4.515 ( 12.309 6.945 8.026) 16.253 4.689 ( -8.690 4.619 2.888) 10.256 4.796 ( -11.872 2.162 -5.576) 13.293 5.002 ( 12.546 3.876 0.213) 13.133 5.217 ( 11.083 2.779 -12.510) 16.943 5.312 ( -7.879 2.851 4.128) 9.341 5.322 ( -11.437 2.563 1.708) 11.844 5.386 ( 34.109 3.779 8.539) 35.364 5.558 ( 3.662 3.078 -4.555) 6.605 5.761 ( -1.200 -1.320 2.864) 3.374 5.867 ( 10.187 -0.899 -0.697) 10.250 5.871 ( 4.715 -0.653 1.443) 4.974 6.006 ( 10.185 0.677 -10.410) 14.579 6.141 ( 0.530 -4.658 -0.849) 4.764 6.181 ( 2.610 -7.810 -4.156) 9.224 6.329 ( 0.866 -3.519 0.471) 3.654 6.370 ( -3.316 -2.739 -2.579) 5.015 6.651 ( -7.229 -2.102 4.742) 8.898 6.809 ( -13.390 -3.368 -7.967) 15.941 6.900 ( 5.792 -4.469 12.636) 14.601 7.063 ( 14.408 -3.530 5.440) 15.800 7.280 ( -1.053 -5.961 0.211) 6.057 7.320 ( -9.425 -5.326 -0.680) 10.847 7.409 ( -8.387 -4.393 6.341) 11.395 7.502 ( -14.598 -0.877 2.896) 14.908 7.603 ( -2.439 -5.304 -2.840) 6.492 7.654 ( -14.229 -4.383 -3.932) 15.399 7.724 ( -4.482 -5.859 0.077) 7.377 7.766 ( -10.953 -1.997 -2.077) 11.326 7.832 ( 1.485 3.702 3.167) 5.093 8.008 ( -0.492 5.122 -5.972) 7.883 8.146 ( -6.690 -1.679 1.607) 7.083 8.171 ( -6.142 -0.374 2.000) 6.471 8.312 ( -0.150 -0.071 -3.539) 3.543 8.375 ( 7.420 3.233 -5.495) 9.783 8.514 ( -7.951 2.607 6.085) 10.346 8.664 ( 1.419 1.340 0.772) 2.099 8.713 ( 3.426 3.718 -0.006) 5.056 8.741 ( -5.011 1.047 -3.303) 6.093 8.805 ( -4.232 1.503 5.420) 7.039 8.934 ( -6.307 1.258 -3.439) 7.293 12.965 ( 8.306 2.744 3.249) 9.332 13.068 ( 7.937 2.746 -4.912) 9.729 13.114 ( 6.461 2.314 2.878) 7.441 13.171 ( 5.429 2.419 -1.613) 6.159 13.200 ( 0.769 1.678 3.734) 4.165 13.321 ( 3.530 1.294 -5.187) 6.406 13.336 ( -1.207 0.037 2.853) 3.098 13.423 ( -0.891 0.093 -3.583) 3.693 13.655 ( 12.509 2.658 3.808) 13.343 13.710 ( 11.369 2.180 -1.000) 11.620 13.915 ( 8.445 0.242 1.240) 8.539 13.967 ( 6.801 1.056 -2.578) 7.349 14.095 ( -2.482 0.209 1.937) 3.155 14.102 ( 2.338 0.932 0.518) 2.570 14.141 ( 1.235 1.827 -0.683) 2.308 14.199 ( -2.232 1.322 -3.509) 4.364 14.436 ( -2.365 0.630 9.719) 10.022 14.564 ( -7.399 0.826 4.348) 8.622 14.628 ( -0.713 0.808 -5.206) 5.316 14.702 ( -3.566 1.024 -6.471) 7.459 14.829 ( 3.270 -0.939 -0.205) 3.408 14.864 ( 3.063 -0.962 -2.496) 4.067 14.895 ( 0.143 -0.617 0.601) 0.873 14.946 ( -1.336 -0.839 -2.282) 2.774 15.628 ( 1.459 0.760 2.691) 3.154 15.643 ( 4.249 -1.500 2.061) 4.955 15.796 ( -1.493 -0.347 1.304) 2.013 15.871 ( -1.541 -1.970 -4.871) 5.475 16.049 ( 0.274 -0.148 2.785) 2.802 16.072 ( -0.262 0.704 3.468) 3.549 16.078 ( 0.880 0.515 0.725) 1.251 16.148 ( -1.476 3.113 -2.117) 4.043 16.274 ( 4.409 0.239 2.926) 5.297 16.322 ( 8.143 -1.498 1.580) 8.430 16.394 ( 0.506 -0.762 -3.001) 3.137 16.415 ( -0.075 -0.419 -1.633) 1.687 16.470 ( -2.748 -0.057 1.802) 3.286 16.541 ( -4.374 -0.606 -2.395) 5.024 16.653 ( 2.526 -1.357 1.448) 3.212 16.695 ( 1.370 0.654 -0.554) 1.616 16.755 ( -2.560 -2.154 -0.823) 3.445 16.785 ( -5.950 -1.680 -1.945) 6.481 16.863 ( -3.970 -1.075 2.327) 4.726 16.916 ( -3.445 -1.302 -1.682) 4.048 17.022 ( -5.197 -1.409 1.322) 5.544 17.049 ( -3.935 -1.275 -0.711) 4.197 17.087 ( -6.675 -1.866 2.053) 7.228 17.126 ( -6.583 -2.384 -1.196) 7.102 17.322 ( 0.796 -3.051 2.111) 3.794 17.353 ( -0.319 -1.784 0.936) 2.040 17.387 ( -0.218 0.017 -1.461) 1.478 17.417 ( -1.059 0.890 -2.319) 2.700 17.648 ( -0.110 -2.158 0.666) 2.261 17.657 ( -0.569 -2.468 0.139) 2.536 17.696 ( -2.536 -1.846 0.112) 3.139 17.706 ( -3.715 -2.371 -0.603) 4.449 18.038 ( 1.817 -2.490 2.824) 4.180 18.083 ( 1.790 -4.650 -0.267) 4.990 18.163 ( -1.195 -3.936 0.488) 4.142 18.170 ( -1.869 -1.244 0.886) 2.414 18.195 ( 1.156 -4.911 -0.892) 5.123 18.243 ( 0.168 -4.340 -2.574) 5.049 18.299 ( -5.115 -2.825 0.384) 5.856 18.329 ( -5.154 -2.123 -1.894) 5.887 18.439 ( 1.247 3.171 2.492) 4.221 18.479 ( 1.087 5.053 0.625) 5.206 18.520 ( -1.356 3.909 1.249) 4.322 18.592 ( -2.610 4.209 -3.183) 5.888 18.745 ( 0.625 4.019 0.205) 4.072 18.755 ( 0.687 3.738 -0.281) 3.811 18.801 ( -2.087 4.177 0.407) 4.687 18.820 ( -2.215 4.268 -0.811) 4.877 ======================= Grid point 115 (42/60) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -26.888 6.099 12.902) 30.441 3.510 ( 26.888 6.099 12.902) 30.441 3.852 ( -19.989 2.207 -12.652) 23.759 3.852 ( 19.989 2.207 -12.652) 23.759 4.069 ( -24.136 5.992 2.284) 24.974 4.069 ( 24.136 5.992 2.284) 24.974 4.256 ( -24.909 8.740 -11.402) 28.755 4.256 ( 24.909 8.740 -11.402) 28.755 4.923 ( -19.259 3.627 7.258) 20.899 4.923 ( 19.259 3.627 7.258) 20.899 4.959 ( -17.906 3.150 7.271) 19.581 4.959 ( 17.906 3.150 7.271) 19.581 5.334 ( -14.239 1.236 2.989) 14.602 5.334 ( 14.239 1.236 2.989) 14.602 5.519 ( -9.913 0.767 -9.831) 13.982 5.519 ( 9.913 0.767 -9.831) 13.982 5.966 ( -4.177 -2.742 2.513) 5.593 5.966 ( 4.177 -2.742 2.513) 5.593 6.006 ( -4.374 -1.123 -0.498) 4.543 6.006 ( 4.374 -1.123 -0.498) 4.543 6.386 ( -9.297 -4.699 1.462) 10.519 6.386 ( 9.297 -4.699 1.462) 10.519 6.427 ( -9.052 -3.682 -1.516) 9.889 6.427 ( 9.052 -3.682 -1.516) 9.889 6.606 ( -14.819 0.758 2.753) 15.092 6.606 ( 14.819 0.758 2.753) 15.092 6.822 ( -31.788 0.724 -12.916) 34.320 6.822 ( 31.788 0.724 -12.916) 34.320 7.188 ( -9.424 -4.807 11.544) 15.658 7.188 ( 9.424 -4.807 11.544) 15.658 7.350 ( -11.084 -4.803 -0.311) 12.084 7.350 ( 11.084 -4.803 -0.311) 12.084 7.603 ( -6.344 -8.373 2.833) 10.881 7.603 ( 6.344 -8.373 2.833) 10.881 7.681 ( -3.479 -6.666 -3.398) 8.251 7.681 ( 3.479 -6.666 -3.398) 8.251 7.971 ( -9.933 2.715 4.090) 11.080 7.971 ( 9.933 2.715 4.090) 11.080 8.056 ( -4.751 3.824 -2.504) 6.593 8.056 ( 4.751 3.824 -2.504) 6.593 8.366 ( -5.116 1.320 2.846) 6.001 8.366 ( 5.116 1.320 2.846) 6.001 8.553 ( -8.936 3.298 -10.268) 14.006 8.553 ( 8.936 3.298 -10.268) 14.006 8.735 ( -2.649 1.833 5.979) 6.791 8.735 ( 2.649 1.833 5.979) 6.791 8.821 ( -5.437 2.521 -0.954) 6.068 8.821 ( 5.437 2.521 -0.954) 6.068 13.112 ( -5.893 2.220 2.770) 6.880 13.112 ( 5.893 2.220 2.770) 6.880 13.192 ( -3.580 2.305 -3.719) 5.653 13.192 ( 3.580 2.305 -3.719) 5.653 13.263 ( -5.230 0.680 4.563) 6.974 13.263 ( 5.230 0.680 4.563) 6.974 13.383 ( -2.984 0.784 -4.964) 5.845 13.383 ( 2.984 0.784 -4.964) 5.845 13.893 ( -9.907 1.008 2.251) 10.209 13.893 ( 9.907 1.008 2.251) 10.209 13.928 ( -8.632 1.713 -0.778) 8.835 13.928 ( 8.632 1.713 -0.778) 8.835 14.089 ( -4.298 0.983 2.924) 5.291 14.089 ( 4.298 0.983 2.924) 5.291 14.185 ( -2.583 1.553 -4.282) 5.236 14.185 ( 2.583 1.553 -4.282) 5.236 14.443 ( -3.860 1.407 7.810) 8.825 14.443 ( 3.860 1.407 7.810) 8.825 14.632 ( -2.154 1.081 -7.460) 7.839 14.632 ( 2.154 1.081 -7.460) 7.839 14.874 ( -1.342 -1.338 1.056) 2.170 14.874 ( 1.342 -1.338 1.056) 2.170 14.921 ( -1.562 -0.593 -2.951) 3.391 14.921 ( 1.562 -0.593 -2.951) 3.391 15.693 ( -3.153 -1.460 4.744) 5.880 15.693 ( 3.153 -1.460 4.744) 5.880 15.792 ( -4.739 -1.041 -3.433) 5.943 15.792 ( 4.739 -1.041 -3.433) 5.943 16.052 ( -0.478 0.654 3.728) 3.815 16.052 ( 0.478 0.654 3.728) 3.815 16.120 ( -1.657 2.802 -1.717) 3.681 16.120 ( 1.657 2.802 -1.717) 3.681 16.337 ( -2.981 -0.633 4.064) 5.079 16.337 ( 2.981 -0.633 4.064) 5.079 16.431 ( -3.055 -1.736 -3.699) 5.102 16.431 ( 3.055 -1.736 -3.699) 5.102 16.572 ( -4.979 -0.850 -0.029) 5.051 16.572 ( 4.979 -0.850 -0.029) 5.051 16.589 ( -9.000 -1.411 -1.035) 9.169 16.589 ( 9.000 -1.411 -1.035) 9.169 16.773 ( -4.714 -0.357 1.943) 5.111 16.773 ( 4.714 -0.357 1.943) 5.111 16.826 ( -5.206 -0.433 -2.565) 5.820 16.826 ( 5.206 -0.433 -2.565) 5.820 16.986 ( -2.301 -2.271 2.372) 4.010 16.986 ( 2.301 -2.271 2.372) 4.010 17.028 ( -2.277 -1.856 -1.220) 3.181 17.028 ( 2.277 -1.856 -1.220) 3.181 17.340 ( -0.956 -2.417 2.044) 3.307 17.340 ( 0.956 -2.417 2.044) 3.307 17.396 ( -0.944 0.291 -2.509) 2.697 17.396 ( 0.944 0.291 -2.509) 2.697 17.652 ( -0.179 -2.250 0.771) 2.385 17.652 ( 0.179 -2.250 0.771) 2.385 17.665 ( -0.024 -2.421 -0.299) 2.439 17.665 ( 0.024 -2.421 -0.299) 2.439 18.083 ( -2.471 -1.107 2.337) 3.577 18.083 ( 2.471 -1.107 2.337) 3.577 18.137 ( -1.125 -2.942 -1.222) 3.378 18.137 ( 1.125 -2.942 -1.222) 3.378 18.232 ( -2.251 -3.494 -0.037) 4.156 18.232 ( 2.251 -3.494 -0.037) 4.156 18.266 ( -1.452 -5.692 -1.813) 6.148 18.266 ( 1.452 -5.692 -1.813) 6.148 18.467 ( -1.536 3.411 3.209) 4.929 18.467 ( 1.536 3.411 3.209) 4.929 18.541 ( -2.500 4.365 -2.730) 5.723 18.541 ( 2.500 4.365 -2.730) 5.723 18.763 ( -1.102 4.467 0.680) 4.650 18.763 ( 1.102 4.467 0.680) 4.650 18.783 ( -1.358 4.431 -0.823) 4.707 18.783 ( 1.358 4.431 -0.823) 4.707 ======================= Grid point 121 (43/60) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 28.710 25.122) 38.150 1.878 ( 0.000 36.753 15.201) 39.772 2.348 ( 0.000 29.480 -25.229) 38.801 2.357 ( 0.000 27.881 -25.946) 38.086 2.855 ( 0.000 47.915 31.642) 57.420 3.588 ( 0.000 22.433 19.415) 29.668 3.707 ( 0.000 18.482 30.533) 35.691 3.836 ( 0.000 27.358 -39.328) 47.908 4.190 ( 0.000 20.350 -21.361) 29.503 4.304 ( 0.000 12.799 -18.573) 22.556 4.902 ( 0.000 -20.675 -2.265) 20.799 4.946 ( 0.000 -16.797 -3.613) 17.181 5.190 ( 0.000 -18.531 6.607) 19.674 5.368 ( 0.000 -14.404 -6.215) 15.688 5.584 ( 0.000 -12.673 6.365) 14.181 5.675 ( 0.000 -3.661 15.693) 16.114 5.716 ( 0.000 -4.018 -4.460) 6.003 5.813 ( 0.000 -6.614 3.453) 7.461 5.892 ( 0.000 1.244 4.264) 4.442 6.070 ( 0.000 -5.647 -10.084) 11.558 6.102 ( 0.000 -14.154 14.420) 20.206 6.390 ( 0.000 -12.825 -10.590) 16.632 6.493 ( 0.000 -0.984 6.478) 6.552 6.569 ( 0.000 -4.643 0.726) 4.699 6.637 ( 0.000 -6.025 11.921) 13.357 6.758 ( 0.000 4.041 4.448) 6.010 6.866 ( 0.000 -1.667 -5.489) 5.737 6.960 ( 0.000 1.374 -10.712) 10.799 6.993 ( 0.000 5.671 7.020) 9.024 7.331 ( 0.000 10.786 -19.128) 21.960 7.675 ( 0.000 2.646 4.992) 5.650 7.783 ( 0.000 3.982 -3.659) 5.408 7.843 ( 0.000 2.612 1.362) 2.946 7.884 ( 0.000 -2.503 -2.074) 3.250 8.022 ( 0.000 -2.859 4.668) 5.474 8.069 ( 0.000 7.933 10.622) 13.258 8.121 ( 0.000 -0.559 -3.841) 3.882 8.243 ( 0.000 6.691 -4.864) 8.272 8.341 ( 0.000 1.614 6.362) 6.564 8.397 ( 0.000 -8.970 8.969) 12.685 8.490 ( 0.000 1.090 -5.559) 5.665 8.643 ( 0.000 -7.620 -11.341) 13.664 8.692 ( 0.000 -9.171 -0.706) 9.199 8.718 ( 0.000 -7.656 -2.134) 7.948 8.974 ( 0.000 -10.706 9.011) 13.993 9.067 ( 0.000 -5.684 6.394) 8.555 9.155 ( 0.000 -9.197 -6.098) 11.035 9.177 ( 0.000 -5.112 -3.281) 6.074 12.709 ( 0.000 5.753 2.235) 6.172 12.756 ( 0.000 5.926 -1.511) 6.116 12.765 ( 0.000 5.488 2.571) 6.061 12.850 ( 0.000 5.969 -4.638) 7.559 12.915 ( 0.000 5.757 2.017) 6.100 12.981 ( 0.000 1.339 3.556) 3.800 12.985 ( 0.000 7.120 -3.704) 8.026 13.088 ( 0.000 1.206 -5.203) 5.341 13.290 ( 0.000 2.554 5.862) 6.394 13.399 ( 0.000 3.761 -1.338) 3.992 13.500 ( 0.000 7.648 1.781) 7.852 13.543 ( 0.000 6.331 -3.313) 7.145 13.556 ( 0.000 -2.030 6.679) 6.981 13.751 ( 0.000 -2.443 -9.490) 9.799 14.146 ( 0.000 1.020 7.242) 7.314 14.166 ( 0.000 -4.861 6.424) 8.056 14.305 ( 0.000 -5.235 -5.383) 7.509 14.315 ( 0.000 3.825 -6.721) 7.733 14.456 ( 0.000 4.504 0.807) 4.576 14.490 ( 0.000 4.035 -2.135) 4.565 14.748 ( 0.000 -7.144 5.337) 8.917 14.851 ( 0.000 -4.132 -1.398) 4.362 14.880 ( 0.000 -2.648 4.060) 4.847 15.017 ( 0.000 -1.451 -5.567) 5.753 15.620 ( 0.000 0.741 6.096) 6.140 15.776 ( 0.000 -0.509 -7.084) 7.102 16.055 ( 0.000 -2.931 1.974) 3.534 16.072 ( 0.000 -2.611 -0.290) 2.627 16.150 ( 0.000 0.482 1.337) 1.421 16.154 ( 0.000 1.186 6.165) 6.278 16.219 ( 0.000 0.591 -2.310) 2.384 16.256 ( 0.000 6.247 -2.575) 6.757 16.337 ( 0.000 2.295 3.159) 3.904 16.382 ( 0.000 -1.972 6.874) 7.151 16.435 ( 0.000 -1.364 -5.076) 5.256 16.575 ( 0.000 -1.918 -8.992) 9.194 16.584 ( 0.000 0.433 1.938) 1.986 16.627 ( 0.000 1.879 -1.397) 2.341 16.788 ( 0.000 -2.497 5.090) 5.669 16.886 ( 0.000 -1.460 1.668) 2.217 16.899 ( 0.000 -1.080 0.223) 1.102 16.900 ( 0.000 -0.294 -4.361) 4.371 17.032 ( 0.000 -1.044 1.374) 1.726 17.065 ( 0.000 -2.411 -0.965) 2.597 17.117 ( 0.000 -4.110 2.718) 4.928 17.173 ( 0.000 -5.242 -1.366) 5.417 17.282 ( 0.000 -3.351 -1.031) 3.506 17.299 ( 0.000 -4.082 -1.844) 4.479 17.365 ( 0.000 3.074 1.728) 3.526 17.420 ( 0.000 2.101 -2.875) 3.561 17.554 ( 0.000 -3.738 -0.249) 3.747 17.573 ( 0.000 -3.556 -1.931) 4.047 17.617 ( 0.000 -1.561 3.454) 3.791 17.682 ( 0.000 -4.113 -1.978) 4.564 17.687 ( 0.000 3.131 0.617) 3.191 17.713 ( 0.000 2.750 -1.264) 3.027 17.883 ( 0.000 -2.503 5.052) 5.638 17.960 ( 0.000 -2.348 0.948) 2.532 17.968 ( 0.000 -3.242 -2.311) 3.982 17.986 ( 0.000 -1.417 -0.856) 1.656 18.235 ( 0.000 -0.444 1.775) 1.829 18.277 ( 0.000 -3.722 7.885) 8.719 18.280 ( 0.000 0.636 -1.617) 1.738 18.446 ( 0.000 -6.048 -5.693) 8.306 18.753 ( 0.000 4.449 0.774) 4.516 18.769 ( 0.000 4.345 0.521) 4.377 18.784 ( 0.000 2.088 -1.668) 2.672 18.790 ( 0.000 3.486 -0.765) 3.569 18.959 ( 0.000 1.977 0.960) 2.197 18.983 ( 0.000 1.553 -0.934) 1.812 18.999 ( 0.000 2.090 0.889) 2.271 19.031 ( 0.000 1.641 -1.406) 2.161 ======================= Grid point 122 (44/60) ======================= q-point: ( 0.10 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 9.815 27.429 21.068) 35.952 2.098 ( 18.376 32.679 11.006) 39.073 2.437 ( 10.948 24.581 -24.479) 36.377 2.538 ( 15.591 29.433 -20.942) 39.343 3.102 ( 24.538 41.604 29.832) 56.771 3.667 ( 7.580 20.749 22.842) 31.776 3.775 ( 7.507 17.657 26.048) 32.352 4.015 ( 17.539 24.896 -38.821) 49.341 4.242 ( 5.764 18.676 -18.259) 26.747 4.397 ( 8.543 11.183 -18.130) 22.951 4.876 ( -4.751 -15.997 -2.476) 16.870 4.892 ( -2.181 -16.186 -4.996) 17.079 5.263 ( 6.539 -17.920 7.141) 20.369 5.435 ( 4.538 -14.201 -5.985) 16.065 5.537 ( -4.246 -10.666 3.993) 12.155 5.602 ( -3.480 -0.496 5.483) 6.513 5.764 ( 0.277 -4.106 6.386) 7.598 5.817 ( 0.434 -6.950 3.320) 7.715 5.878 ( 0.086 -0.532 6.378) 6.401 6.057 ( -1.039 -7.257 -9.100) 11.686 6.085 ( -2.303 -11.210 10.483) 15.520 6.325 ( -6.000 -11.041 -8.236) 15.025 6.441 ( -5.310 -0.904 4.992) 7.344 6.532 ( -3.737 -5.667 -1.266) 6.906 6.603 ( -1.407 0.109 14.145) 14.215 6.764 ( -0.666 -2.754 6.324) 6.929 6.879 ( 0.852 -2.814 -6.090) 6.763 6.985 ( 2.217 1.005 -12.074) 12.317 7.031 ( 3.142 3.970 5.921) 7.790 7.294 ( -2.994 7.952 -15.349) 17.544 7.666 ( -0.903 2.174 4.392) 4.984 7.760 ( -2.292 2.892 -3.203) 4.887 7.864 ( -6.479 4.444 3.254) 8.503 7.898 ( -3.875 1.216 2.926) 5.006 7.913 ( 2.363 1.587 0.196) 2.853 7.973 ( -3.534 -0.532 0.377) 3.593 8.201 ( -3.447 4.258 0.584) 5.509 8.229 ( 3.792 0.988 -1.148) 4.083 8.320 ( -5.642 -8.930 6.448) 12.376 8.385 ( 4.038 2.387 4.693) 6.635 8.488 ( -4.577 -5.058 -6.478) 9.407 8.520 ( -2.570 -3.866 -6.681) 8.136 8.764 ( 2.764 -6.411 -0.935) 7.043 8.778 ( 3.667 -5.573 -2.469) 7.113 8.936 ( -5.117 -9.240 8.504) 13.561 9.001 ( -5.407 -5.590 4.493) 8.981 9.071 ( -10.149 -5.087 -2.042) 11.535 9.144 ( -1.352 -8.013 -5.585) 9.860 12.729 ( 2.122 5.819 2.441) 6.657 12.782 ( 3.209 5.917 -1.585) 6.916 12.826 ( 5.142 5.176 1.632) 7.476 12.886 ( 3.371 6.001 -3.265) 7.618 12.957 ( 4.280 5.728 1.531) 7.312 13.019 ( 3.711 6.175 -2.808) 7.732 13.029 ( 4.642 1.883 2.948) 5.813 13.131 ( 4.378 0.876 -4.871) 6.607 13.325 ( 3.498 2.892 5.325) 6.997 13.421 ( 2.011 3.412 -0.650) 4.013 13.504 ( 2.384 3.987 2.176) 5.130 13.573 ( 3.360 5.712 -4.177) 7.834 13.656 ( 7.845 0.832 4.644) 9.155 13.797 ( 4.423 -1.722 -7.279) 8.690 14.140 ( 0.034 -1.885 5.613) 5.922 14.213 ( 3.557 -1.809 4.904) 6.323 14.285 ( 0.555 -1.036 -2.726) 2.969 14.385 ( 5.222 0.632 -5.787) 7.820 14.495 ( 3.697 3.681 0.495) 5.241 14.531 ( 3.782 3.324 -2.707) 5.717 14.756 ( 0.707 -6.612 5.099) 8.379 14.858 ( 0.486 -4.277 -2.756) 5.111 14.874 ( -0.537 -2.144 5.362) 5.799 15.015 ( -0.315 -1.348 -5.667) 5.834 15.623 ( 0.310 0.789 5.655) 5.719 15.764 ( -1.138 -0.350 -6.281) 6.392 16.006 ( -6.040 -1.772 2.218) 6.674 16.031 ( -3.572 -2.246 0.345) 4.234 16.093 ( -3.607 0.997 2.034) 4.259 16.105 ( -3.948 1.378 1.847) 4.572 16.196 ( -2.187 2.530 0.636) 3.404 16.229 ( -4.313 3.302 -0.794) 5.490 16.326 ( 1.294 -0.471 1.154) 1.797 16.398 ( -1.244 -0.264 -2.894) 3.162 16.448 ( 2.101 -1.745 2.641) 3.800 16.552 ( -1.856 0.077 -1.669) 2.497 16.565 ( -2.738 1.961 -0.913) 3.489 16.625 ( 0.136 -1.324 -4.285) 4.487 16.765 ( -2.543 -2.195 4.541) 5.649 16.844 ( -4.017 -0.766 -1.771) 4.456 16.863 ( -2.000 -1.743 2.587) 3.705 16.912 ( -0.297 -1.310 -1.762) 2.215 17.008 ( -1.890 -1.039 0.935) 2.351 17.044 ( -1.805 -2.013 -1.369) 3.030 17.148 ( 2.111 -4.529 1.813) 5.316 17.175 ( 0.070 -5.395 -0.330) 5.405 17.270 ( -1.770 -3.789 -0.376) 4.199 17.282 ( -1.314 -4.009 -1.494) 4.476 17.336 ( -2.620 2.753 2.038) 4.312 17.408 ( -1.202 1.883 -3.761) 4.375 17.532 ( -2.878 -2.212 0.090) 3.631 17.550 ( -1.756 -2.259 -1.814) 3.387 17.623 ( 0.812 -0.143 1.675) 1.867 17.655 ( -0.396 1.077 -0.909) 1.464 17.714 ( 1.146 -0.680 1.064) 1.705 17.753 ( 2.746 -1.456 -1.728) 3.556 17.868 ( -1.321 -3.472 5.129) 6.333 17.953 ( -1.033 -2.735 -1.428) 3.254 17.963 ( -0.085 -3.335 -0.019) 3.336 17.987 ( 0.420 -1.918 -1.249) 2.327 18.208 ( -1.171 -1.385 4.225) 4.598 18.278 ( 0.132 -0.004 -1.792) 1.797 18.328 ( 2.985 -3.102 5.057) 6.641 18.461 ( 0.809 -6.009 -4.972) 7.841 18.713 ( -3.213 4.601 0.757) 5.663 18.737 ( -3.089 2.936 -1.168) 4.419 18.786 ( -0.017 3.794 0.059) 3.795 18.801 ( 0.272 3.631 -0.654) 3.699 18.913 ( -4.289 2.583 1.039) 5.113 18.938 ( -4.100 2.500 -1.006) 4.906 18.990 ( -1.107 2.011 0.635) 2.382 19.017 ( -1.464 1.814 -1.285) 2.662 ======================= Grid point 123 (45/60) ======================= q-point: ( 0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 21.459 22.420 16.948) 35.361 2.521 ( 24.057 24.034 -1.520) 34.039 2.752 ( 20.776 22.994 -14.037) 34.021 2.928 ( 23.544 26.248 -16.684) 39.008 3.747 ( 38.861 28.272 24.878) 54.115 3.871 ( 13.654 16.914 21.365) 30.479 3.990 ( 14.280 13.982 21.880) 29.633 4.412 ( 10.806 14.531 -12.516) 22.013 4.483 ( 28.655 19.078 -33.797) 48.243 4.581 ( 7.663 2.523 -12.117) 14.558 4.760 ( -4.802 -7.236 -0.350) 8.692 4.869 ( 0.327 -6.640 -13.030) 14.628 5.361 ( -2.115 -5.163 5.059) 7.531 5.414 ( -6.576 -5.998 1.024) 8.959 5.479 ( 3.007 -11.680 0.513) 12.071 5.587 ( 0.337 -6.921 -3.423) 7.728 5.772 ( 2.464 -4.749 7.411) 9.141 5.811 ( -2.101 -4.018 5.571) 7.182 5.887 ( -0.418 -3.613 5.467) 6.567 6.011 ( -4.422 -9.434 5.515) 11.789 6.017 ( -4.169 -5.723 -6.570) 9.659 6.186 ( -7.531 -5.009 -3.934) 9.863 6.332 ( -4.149 -4.700 3.658) 7.259 6.437 ( -5.600 -5.734 -2.555) 8.412 6.606 ( 1.750 0.976 15.581) 15.709 6.731 ( -2.122 -5.922 7.665) 9.916 6.874 ( -1.669 -2.801 -4.159) 5.285 7.027 ( 2.137 -0.074 -14.271) 14.431 7.086 ( 1.507 -1.284 2.728) 3.371 7.236 ( -3.338 1.223 -8.141) 8.883 7.604 ( -6.814 2.718 3.112) 7.968 7.665 ( -8.788 2.023 -2.250) 9.295 7.690 ( -4.660 1.469 4.654) 6.747 7.782 ( -6.728 0.327 -2.876) 7.325 7.932 ( -0.908 -1.060 3.976) 4.214 8.024 ( 3.542 4.455 -2.889) 6.383 8.145 ( -1.798 -1.413 5.945) 6.370 8.193 ( -2.569 -6.786 3.815) 8.198 8.299 ( 0.413 1.645 -4.211) 4.540 8.345 ( -6.241 -10.191 -7.711) 14.222 8.473 ( 3.314 3.058 2.469) 5.141 8.537 ( -1.070 1.171 -2.782) 3.203 8.700 ( -13.289 -4.927 3.186) 14.527 8.732 ( -11.378 -3.943 -0.593) 12.057 8.830 ( -5.861 -2.940 0.391) 6.569 8.853 ( 0.769 -2.929 -0.847) 3.144 8.937 ( -3.349 -4.597 7.172) 9.154 9.104 ( -2.727 -5.582 -5.862) 8.541 12.793 ( 4.488 5.812 3.004) 7.933 12.873 ( 5.894 5.824 -3.160) 8.868 12.939 ( 5.932 4.867 1.578) 7.834 12.975 ( 5.888 5.627 -1.441) 8.271 13.072 ( 7.069 5.338 1.069) 8.923 13.128 ( 7.191 5.602 -3.312) 9.699 13.152 ( 7.446 0.549 3.588) 8.283 13.249 ( 7.231 -0.101 -4.387) 8.458 13.416 ( 5.604 3.924 4.070) 7.960 13.475 ( 3.709 3.185 0.636) 4.930 13.599 ( 6.837 2.111 1.114) 7.241 13.675 ( 6.888 3.963 -5.470) 9.648 13.829 ( 9.501 1.273 3.147) 10.090 13.907 ( 6.519 -0.159 -3.478) 7.390 14.150 ( 0.895 -1.724 4.583) 4.978 14.250 ( 0.678 -1.125 -3.303) 3.555 14.364 ( 6.100 -0.405 6.403) 8.852 14.507 ( 6.802 0.646 -4.597) 8.236 14.586 ( 5.335 2.455 -0.138) 5.874 14.618 ( 4.630 1.889 -3.495) 6.101 14.772 ( 0.769 -5.026 4.040) 6.494 14.842 ( -2.151 -1.913 1.745) 3.366 14.875 ( 0.409 -2.847 0.800) 2.986 14.999 ( -1.427 -0.988 -5.782) 6.036 15.629 ( -0.137 0.565 4.951) 4.985 15.740 ( -1.128 0.202 -4.315) 4.464 15.867 ( -6.476 1.352 2.764) 7.170 15.934 ( -5.738 0.689 -2.725) 6.390 16.031 ( -3.139 0.228 2.595) 4.079 16.034 ( -2.085 -0.479 1.758) 2.769 16.137 ( -3.965 0.319 1.247) 4.169 16.158 ( -1.482 0.740 -1.282) 2.095 16.345 ( -0.742 0.093 -0.264) 0.793 16.356 ( -2.358 1.129 -1.185) 2.871 16.459 ( -1.680 -2.084 1.466) 3.052 16.491 ( -3.765 2.494 -0.774) 4.582 16.535 ( 0.562 0.053 0.834) 1.007 16.621 ( -0.921 -2.190 -4.955) 5.496 16.689 ( -4.914 -1.249 3.475) 6.147 16.747 ( -5.499 -1.326 -1.294) 5.803 16.823 ( -2.286 -2.530 2.984) 4.531 16.888 ( -2.111 -1.705 -0.855) 2.845 16.961 ( -3.123 -2.384 -0.116) 3.931 17.000 ( -2.672 -1.517 -1.700) 3.512 17.166 ( -0.851 -5.619 0.865) 5.749 17.175 ( -0.411 -3.567 0.147) 3.593 17.215 ( -3.132 -4.629 1.503) 5.787 17.238 ( -3.698 -3.839 -0.590) 5.363 17.280 ( -2.772 1.781 2.524) 4.150 17.376 ( -2.023 0.593 -4.405) 4.883 17.464 ( -3.583 -0.376 0.777) 3.685 17.505 ( -2.567 0.457 -2.677) 3.737 17.639 ( 0.266 -0.949 0.068) 0.988 17.650 ( -0.577 0.441 -0.451) 0.855 17.726 ( -0.496 -2.175 2.567) 3.401 17.784 ( -0.248 -1.409 -1.332) 1.955 17.856 ( 0.976 -5.195 3.286) 6.224 17.930 ( -0.596 -3.963 -2.287) 4.614 17.980 ( 1.735 -3.732 0.811) 4.195 18.009 ( 1.757 -3.220 -1.537) 3.977 18.192 ( -0.716 -1.965 4.492) 4.955 18.279 ( -0.403 -1.576 -2.525) 3.003 18.363 ( 0.135 -3.651 3.835) 5.297 18.456 ( -1.722 -5.208 -3.514) 6.515 18.644 ( -3.655 5.376 0.446) 6.516 18.656 ( -4.739 3.707 -0.664) 6.053 18.758 ( -3.923 3.910 1.290) 5.687 18.788 ( -1.923 4.324 -0.908) 4.819 18.836 ( -1.992 3.964 0.345) 4.450 18.856 ( -3.034 4.295 -1.042) 5.361 18.958 ( -2.038 2.228 0.308) 3.035 18.979 ( -2.244 2.151 -1.092) 3.294 ======================= Grid point 124 (46/60) ======================= q-point: ( 0.30 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 26.974 18.028 13.566) 35.166 3.005 ( 25.125 14.392 -12.131) 31.394 3.219 ( 26.339 22.144 -1.611) 34.449 3.426 ( 26.970 21.666 -13.852) 37.265 4.119 ( 11.798 9.356 16.978) 22.693 4.288 ( 15.950 10.276 13.206) 23.116 4.469 ( -7.389 -0.437 3.742) 8.294 4.597 ( 38.513 15.248 11.778) 43.064 4.638 ( 0.523 2.498 -2.690) 3.708 4.755 ( 12.841 2.804 0.104) 13.144 4.954 ( 6.891 5.211 -16.017) 18.198 5.119 ( 24.374 9.978 -19.251) 32.623 5.204 ( -8.091 4.983 -0.757) 9.532 5.293 ( -0.374 6.750 -8.368) 10.758 5.542 ( 1.908 -9.008 1.925) 9.407 5.628 ( -3.473 -5.067 -2.112) 6.496 5.714 ( -2.593 -10.428 2.531) 11.040 5.737 ( -7.645 -0.617 3.888) 8.599 5.864 ( -1.373 -2.354 5.456) 6.099 5.921 ( -2.485 -4.913 -0.728) 5.553 5.942 ( -2.930 -4.191 1.353) 5.290 6.115 ( 1.954 -2.277 -4.634) 5.520 6.246 ( -6.596 -7.397 1.767) 10.067 6.344 ( -3.842 -8.490 -2.230) 9.582 6.672 ( 3.483 -1.106 17.599) 17.974 6.704 ( -0.110 -5.994 8.676) 10.546 6.833 ( -0.884 -2.145 -2.115) 3.139 7.031 ( -8.556 -4.246 -4.651) 10.624 7.086 ( 3.768 -3.672 -9.689) 11.026 7.153 ( -2.644 -3.528 -5.879) 7.349 7.476 ( -7.377 0.440 2.177) 7.704 7.521 ( -2.471 -0.958 0.076) 2.651 7.603 ( -5.699 -6.539 2.196) 8.948 7.657 ( -7.583 -6.702 -2.450) 10.413 7.884 ( -2.239 2.603 10.842) 11.373 8.058 ( 0.130 2.487 -1.686) 3.007 8.086 ( -4.378 -6.138 3.448) 8.290 8.161 ( -20.724 -2.479 1.279) 20.911 8.201 ( -6.773 -4.181 -3.447) 8.674 8.249 ( -13.339 -2.391 -2.955) 13.870 8.313 ( -1.472 -0.453 -5.940) 6.136 8.359 ( -1.685 3.354 -4.878) 6.155 8.640 ( 3.472 2.937 2.815) 5.349 8.656 ( 1.879 2.438 0.869) 3.199 8.759 ( -3.085 1.040 4.058) 5.202 8.827 ( -3.019 -2.007 4.766) 5.988 8.898 ( -1.349 0.203 0.021) 1.364 9.039 ( -3.919 -2.130 -5.898) 7.394 12.902 ( 6.560 5.323 3.433) 9.119 13.002 ( 7.088 5.267 -3.754) 9.595 13.055 ( 6.191 4.590 1.878) 7.932 13.107 ( 7.222 4.453 -1.333) 8.589 13.201 ( 5.122 3.915 1.495) 6.618 13.268 ( 5.937 2.019 -2.519) 6.758 13.288 ( 5.915 1.274 1.885) 6.337 13.378 ( 4.885 -0.911 -4.244) 6.535 13.543 ( 7.844 5.344 3.885) 10.256 13.583 ( 7.881 3.692 0.559) 8.721 13.754 ( 8.729 0.937 0.942) 8.829 13.832 ( 8.934 2.379 -5.679) 10.850 14.009 ( 8.474 1.207 1.650) 8.717 14.038 ( 6.401 1.303 -0.444) 6.548 14.167 ( 0.549 -0.352 3.659) 3.717 14.253 ( -0.548 -0.142 -3.473) 3.518 14.456 ( 2.324 0.032 8.134) 8.460 14.617 ( 3.658 0.672 -3.876) 5.371 14.666 ( 0.580 0.218 0.512) 0.804 14.709 ( 4.879 1.492 -3.425) 6.146 14.776 ( -0.040 -1.095 0.723) 1.313 14.801 ( -0.813 -2.159 1.658) 2.841 14.878 ( -0.088 -1.704 -0.681) 1.837 14.960 ( -2.324 -0.862 -4.815) 5.416 15.604 ( -1.500 0.045 4.971) 5.193 15.696 ( -3.910 1.382 -2.344) 4.764 15.804 ( -0.330 1.116 0.811) 1.418 15.859 ( -1.708 0.023 -3.895) 4.253 16.003 ( 1.251 -0.168 3.572) 3.789 16.038 ( 2.548 -0.733 1.412) 3.004 16.087 ( -1.165 -0.720 2.675) 3.006 16.143 ( 0.276 -0.260 -1.787) 1.827 16.288 ( -2.707 2.397 1.192) 3.807 16.322 ( -2.258 1.817 -0.863) 3.024 16.400 ( -2.930 -0.919 0.502) 3.112 16.438 ( -2.626 -0.655 -2.069) 3.407 16.563 ( -1.403 -1.131 2.654) 3.208 16.565 ( -1.693 -0.679 0.384) 1.864 16.605 ( -3.726 -1.819 -0.493) 4.175 16.658 ( -2.118 -2.284 -3.693) 4.831 16.772 ( -2.875 -2.618 2.227) 4.481 16.834 ( -3.625 -2.181 -1.872) 4.626 16.891 ( -3.436 -2.272 1.738) 4.471 16.943 ( -3.030 -1.609 -1.703) 3.830 17.108 ( -5.271 -1.805 1.017) 5.663 17.123 ( -4.819 -2.281 -0.377) 5.345 17.145 ( -4.031 -5.477 0.943) 6.866 17.160 ( -4.899 -4.088 0.077) 6.381 17.245 ( -0.208 -1.430 3.999) 4.252 17.336 ( -1.776 -1.023 -2.227) 3.026 17.407 ( -2.068 -0.133 -0.437) 2.117 17.459 ( -2.052 0.453 -3.618) 4.184 17.619 ( -1.916 -1.911 0.895) 2.850 17.635 ( -1.062 -1.046 -0.310) 1.523 17.689 ( -2.825 -3.634 1.948) 4.998 17.740 ( -4.104 -2.056 -1.737) 4.908 17.902 ( 3.355 -4.139 1.707) 5.595 17.944 ( 1.857 -4.180 -1.360) 4.772 18.023 ( 2.454 -4.805 0.876) 5.466 18.048 ( 2.111 -4.151 -1.217) 4.813 18.174 ( -1.255 -2.111 3.167) 4.008 18.247 ( -2.975 -2.309 -2.656) 4.608 18.325 ( -3.783 -4.443 2.246) 6.252 18.379 ( -6.075 -4.517 -2.156) 7.871 18.571 ( -2.722 6.201 1.058) 6.854 18.598 ( -1.241 6.425 -0.602) 6.571 18.672 ( -3.766 5.083 2.406) 6.768 18.731 ( -2.952 4.420 -1.973) 5.670 18.822 ( -0.079 3.889 0.359) 3.907 18.839 ( 0.434 5.051 -1.038) 5.175 18.916 ( -2.107 2.612 0.350) 3.374 18.936 ( -2.017 2.655 -0.987) 3.477 ======================= Grid point 125 (47/60) ======================= q-point: ( 0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 27.530 14.292 10.672) 32.803 3.487 ( 23.998 8.711 -13.979) 29.107 3.745 ( 26.713 17.911 4.361) 32.456 3.938 ( 21.203 16.380 -8.622) 28.147 4.126 ( -10.897 5.079 2.715) 12.325 4.253 ( -8.916 1.191 -4.347) 9.990 4.570 ( -4.852 5.989 10.511) 13.034 4.680 ( 18.592 8.837 10.711) 23.205 4.833 ( -9.555 8.714 -2.622) 13.194 4.861 ( -3.672 4.130 -5.497) 7.795 5.110 ( 7.404 6.416 0.684) 9.821 5.293 ( 6.206 4.414 -10.665) 13.105 5.360 ( -11.202 1.415 4.198) 12.046 5.392 ( -9.966 3.757 2.478) 10.935 5.486 ( 19.327 4.581 4.777) 20.429 5.577 ( 2.527 -3.826 -0.773) 4.649 5.742 ( 7.436 1.011 2.665) 7.964 5.781 ( 11.045 -7.113 -2.342) 13.345 5.857 ( 3.141 -1.800 3.656) 5.145 5.990 ( 4.335 -5.849 2.189) 7.603 6.021 ( 4.792 -1.326 -6.940) 8.537 6.084 ( 8.884 -2.487 -7.974) 12.194 6.230 ( 3.439 -5.244 -1.407) 6.427 6.261 ( -1.561 -7.627 -2.881) 8.301 6.608 ( -5.991 -1.568 3.887) 7.312 6.720 ( -3.638 -4.829 1.634) 6.263 6.808 ( -4.915 -3.370 3.689) 7.009 6.970 ( 11.060 -4.838 1.391) 12.152 7.148 ( 1.470 -6.076 -0.486) 6.270 7.188 ( 0.222 -6.655 -2.267) 7.034 7.293 ( -12.188 -6.663 4.021) 14.460 7.404 ( -15.824 -8.739 -2.276) 18.219 7.464 ( -10.350 -8.565 0.064) 13.434 7.516 ( -3.190 -7.857 -3.177) 9.055 7.609 ( -19.575 -3.159 5.610) 20.606 7.776 ( -18.437 1.539 -5.514) 19.305 7.932 ( 2.265 4.955 6.493) 8.476 8.066 ( -1.336 -3.326 2.099) 4.154 8.090 ( -0.508 -0.069 -2.380) 2.435 8.151 ( -2.252 -2.059 -2.105) 3.707 8.319 ( 2.112 1.276 -1.555) 2.917 8.473 ( 7.172 6.109 -7.706) 12.171 8.576 ( -7.282 3.493 6.130) 10.139 8.711 ( 1.956 3.043 2.273) 4.272 8.759 ( -0.789 0.650 4.379) 4.497 8.804 ( 3.080 4.265 -0.170) 5.264 8.847 ( -3.814 2.526 -0.670) 4.624 8.961 ( -3.798 1.070 -4.310) 5.844 13.040 ( 7.276 4.274 3.441) 9.113 13.141 ( 6.858 4.029 -2.891) 8.463 13.176 ( 5.856 3.567 1.273) 6.974 13.235 ( 4.990 3.521 -1.885) 6.391 13.244 ( -0.745 2.283 2.966) 3.816 13.328 ( 0.168 -0.086 3.078) 3.084 13.363 ( 1.791 1.857 -5.201) 5.805 13.428 ( 0.533 0.374 -3.782) 3.838 13.731 ( 10.877 4.600 3.387) 12.286 13.773 ( 10.917 3.923 -0.598) 11.616 13.924 ( 7.835 0.646 1.696) 8.042 13.997 ( 6.371 1.668 -3.921) 7.665 14.101 ( -0.838 0.485 2.207) 2.410 14.137 ( 2.987 2.146 1.865) 4.124 14.182 ( 1.321 1.988 -0.154) 2.392 14.229 ( -0.622 1.421 -3.235) 3.587 14.458 ( -0.741 1.592 8.845) 9.018 14.589 ( -5.792 1.526 3.706) 7.043 14.652 ( -0.360 1.480 -4.993) 5.220 14.728 ( -2.949 1.278 -5.578) 6.438 14.803 ( 2.181 -1.585 0.190) 2.702 14.830 ( 2.122 -1.997 -0.109) 2.916 14.882 ( 0.762 -0.833 -2.219) 2.490 14.923 ( -1.365 -1.370 -3.199) 3.738 15.613 ( 2.637 -1.113 3.868) 4.812 15.646 ( -0.290 0.938 0.957) 1.371 15.783 ( -2.133 -0.928 -0.576) 2.396 15.823 ( -2.885 -2.364 -3.653) 5.221 16.062 ( 1.998 1.266 2.678) 3.574 16.086 ( 1.783 0.553 4.031) 4.443 16.101 ( 3.212 1.757 1.638) 4.011 16.189 ( 2.240 0.242 -3.005) 3.756 16.280 ( 3.307 0.778 3.048) 4.564 16.297 ( 0.107 -0.783 2.543) 2.663 16.380 ( 0.979 -0.529 -3.300) 3.482 16.387 ( -1.260 -2.420 -3.420) 4.375 16.467 ( -3.588 -0.354 3.447) 4.988 16.513 ( -3.860 -2.694 0.481) 4.732 16.615 ( 0.964 -2.243 -1.318) 2.775 16.654 ( -1.354 -5.068 -3.594) 6.359 16.718 ( -1.330 -0.690 1.595) 2.188 16.755 ( -2.349 -0.728 -1.593) 2.930 16.844 ( -1.954 -0.797 2.451) 3.234 16.892 ( -1.987 -0.836 -1.005) 2.378 16.980 ( -7.183 -2.514 1.453) 7.748 17.013 ( -4.963 -2.107 -0.304) 5.400 17.040 ( -6.584 -2.808 0.655) 7.188 17.061 ( -5.015 -3.654 -0.658) 6.240 17.258 ( 1.240 -2.611 3.723) 4.713 17.310 ( -1.001 -2.151 1.769) 2.959 17.384 ( -0.324 -0.263 -3.352) 3.378 17.424 ( -1.692 -0.086 -4.406) 4.720 17.586 ( -0.974 -3.563 1.373) 3.941 17.610 ( -1.241 -1.995 -0.066) 2.351 17.631 ( -2.870 -4.025 0.673) 4.989 17.653 ( -3.892 -2.784 -0.755) 4.844 17.976 ( 3.843 -3.396 0.930) 5.213 17.991 ( 2.838 -3.864 0.067) 4.795 18.064 ( 1.260 -5.428 1.168) 5.694 18.086 ( 1.785 -4.484 -0.716) 4.879 18.143 ( -1.982 -1.663 0.751) 2.694 18.179 ( -2.883 -2.187 -1.858) 4.067 18.228 ( -5.975 -3.399 0.804) 6.921 18.260 ( -4.909 -3.835 -1.913) 6.516 18.549 ( 0.218 6.446 2.298) 6.846 18.592 ( -0.295 5.750 1.340) 5.912 18.622 ( -1.006 5.713 0.018) 5.801 18.681 ( -2.306 4.656 -2.461) 5.749 18.829 ( 0.799 3.778 0.792) 3.942 18.854 ( 0.960 4.622 -1.193) 4.870 18.879 ( -1.613 3.107 0.642) 3.559 18.902 ( -1.484 3.317 -1.014) 3.773 ======================= Grid point 126 (48/60) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -23.639 10.232 8.248) 27.047 3.682 ( 23.639 10.232 8.248) 27.047 3.924 ( -19.152 4.876 -11.405) 22.818 3.924 ( 19.152 4.876 -11.405) 22.818 4.254 ( -21.955 11.442 7.393) 25.838 4.254 ( 21.955 11.442 7.393) 25.838 4.479 ( -22.039 12.285 -11.536) 27.744 4.479 ( 22.039 12.285 -11.536) 27.744 5.020 ( -15.727 5.272 6.352) 17.761 5.020 ( 15.727 5.272 6.352) 17.761 5.048 ( -16.720 5.333 5.819) 18.490 5.048 ( 16.720 5.333 5.819) 18.490 5.372 ( -9.731 2.340 3.015) 10.453 5.372 ( 9.731 2.340 3.015) 10.453 5.531 ( -4.742 -0.002 -7.504) 8.877 5.531 ( 4.742 -0.002 -7.504) 8.877 5.889 ( -5.277 -4.693 1.438) 7.207 5.889 ( 5.277 -4.693 1.438) 7.207 5.945 ( -6.080 -5.038 -2.485) 8.278 5.945 ( 6.080 -5.038 -2.485) 8.278 6.268 ( -5.894 -6.410 1.143) 8.782 6.268 ( 5.894 -6.410 1.143) 8.782 6.308 ( -5.786 -7.174 -2.251) 9.487 6.308 ( 5.786 -7.174 -2.251) 9.487 6.642 ( -18.125 2.467 5.539) 19.112 6.642 ( 18.125 2.467 5.539) 19.112 6.838 ( -21.935 0.644 -7.495) 23.189 6.838 ( 21.935 0.644 -7.495) 23.189 7.077 ( -2.789 -5.586 7.618) 9.849 7.077 ( 2.789 -5.586 7.618) 9.849 7.220 ( -10.243 -6.874 -1.689) 12.451 7.220 ( 10.243 -6.874 -1.689) 12.451 7.404 ( -6.652 -10.545 2.705) 12.758 7.404 ( 6.652 -10.545 2.705) 12.758 7.540 ( -6.276 -6.104 -7.915) 11.803 7.540 ( 6.276 -6.104 -7.915) 11.803 8.013 ( -3.960 0.170 4.508) 6.003 8.013 ( 3.960 0.170 4.508) 6.003 8.109 ( -1.864 1.380 -1.938) 3.023 8.109 ( 1.864 1.380 -1.938) 3.023 8.407 ( -6.864 3.114 6.104) 9.699 8.407 ( 6.864 3.114 6.104) 9.699 8.641 ( -7.287 4.962 -9.295) 12.811 8.641 ( 7.287 4.962 -9.295) 12.811 8.782 ( -2.494 2.370 5.824) 6.765 8.782 ( 2.494 2.370 5.824) 6.765 8.886 ( -4.139 3.434 -1.933) 5.715 8.886 ( 4.139 3.434 -1.933) 5.715 13.169 ( -5.430 3.125 2.859) 6.887 13.169 ( 5.430 3.125 2.859) 6.887 13.252 ( -2.690 3.228 -3.268) 5.323 13.252 ( 2.690 3.228 -3.268) 5.323 13.283 ( -3.633 1.261 3.961) 5.521 13.283 ( 3.633 1.261 3.961) 5.521 13.404 ( -2.518 1.200 -5.145) 5.853 13.404 ( 2.518 1.200 -5.145) 5.853 13.928 ( -7.032 2.348 2.509) 7.827 13.928 ( 7.032 2.348 2.509) 7.827 13.975 ( -7.105 2.824 -1.517) 7.794 13.975 ( 7.105 2.824 -1.517) 7.794 14.118 ( -4.108 1.774 4.084) 6.058 14.118 ( 4.108 1.774 4.084) 6.058 14.223 ( -2.541 1.834 -4.083) 5.147 14.223 ( 2.541 1.834 -4.083) 5.147 14.485 ( -3.888 2.615 7.098) 8.505 14.485 ( 3.888 2.615 7.098) 8.505 14.662 ( -2.316 1.753 -7.190) 7.754 14.662 ( 2.316 1.753 -7.190) 7.754 14.838 ( -0.996 -2.129 1.632) 2.861 14.838 ( 0.996 -2.129 1.632) 2.861 14.902 ( -0.984 -1.264 -3.787) 4.112 14.902 ( 0.984 -1.264 -3.787) 4.112 15.663 ( -0.426 -1.217 4.264) 4.455 15.663 ( 0.426 -1.217 4.264) 4.455 15.759 ( -1.852 -1.947 -3.661) 4.542 15.759 ( 1.852 -1.947 -3.661) 4.542 16.087 ( -0.979 2.340 4.884) 5.504 16.087 ( 0.979 2.340 4.884) 5.504 16.176 ( -2.685 2.439 -2.187) 4.236 16.176 ( 2.685 2.439 -2.187) 4.236 16.314 ( -1.398 -1.560 3.550) 4.122 16.314 ( 1.398 -1.560 3.550) 4.122 16.385 ( -2.169 -2.859 -2.604) 4.434 16.385 ( 2.169 -2.859 -2.604) 4.434 16.521 ( -5.354 -3.520 0.317) 6.415 16.521 ( 5.354 -3.520 0.317) 6.415 16.551 ( -3.437 -2.748 -1.573) 4.674 16.551 ( 3.437 -2.748 -1.573) 4.674 16.769 ( -4.106 0.016 1.758) 4.467 16.769 ( 4.106 0.016 1.758) 4.467 16.818 ( -5.107 -0.375 -2.355) 5.637 16.818 ( 5.107 -0.375 -2.355) 5.637 16.933 ( -3.074 -2.453 2.530) 4.676 16.933 ( 3.074 -2.453 2.530) 4.676 16.981 ( -1.959 -2.472 -1.534) 3.507 16.981 ( 1.959 -2.472 -1.534) 3.507 17.287 ( -1.489 -2.430 3.797) 4.747 17.287 ( 1.489 -2.430 3.797) 4.747 17.394 ( -1.234 -0.369 -4.980) 5.143 17.394 ( 1.234 -0.369 -4.980) 5.143 17.589 ( -1.181 -3.812 1.060) 4.129 17.589 ( 1.181 -3.812 1.060) 4.129 17.604 ( -1.029 -3.074 -0.147) 3.245 17.604 ( 1.029 -3.074 -0.147) 3.245 18.033 ( -1.484 -3.767 1.803) 4.432 18.033 ( 1.484 -3.767 1.803) 4.432 18.078 ( -3.166 -3.449 -1.507) 4.919 18.078 ( 3.166 -3.449 -1.507) 4.919 18.134 ( -3.019 -3.443 1.488) 4.815 18.134 ( 3.019 -3.443 1.488) 4.815 18.186 ( -2.721 -2.889 -2.426) 4.652 18.186 ( 2.721 -2.889 -2.426) 4.652 18.568 ( -1.435 5.817 3.161) 6.774 18.568 ( 1.435 5.817 3.161) 6.774 18.640 ( -1.912 5.264 -2.571) 6.162 18.640 ( 1.912 5.264 -2.571) 6.162 18.850 ( -1.260 3.540 0.895) 3.863 18.850 ( 1.260 3.540 0.895) 3.863 18.877 ( -1.177 3.983 -1.151) 4.310 18.877 ( 1.177 3.983 -1.151) 4.310 ======================= Grid point 132 (49/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 30.595 20.259) 36.694 2.636 ( 0.000 36.685 10.769) 38.233 2.910 ( 0.000 26.256 -24.687) 36.039 2.985 ( 0.000 31.587 -19.465) 37.103 3.838 ( 0.000 45.384 19.337) 49.332 4.049 ( 0.000 20.720 23.614) 31.416 4.124 ( 0.000 19.468 27.803) 33.941 4.321 ( 0.000 -20.630 6.906) 21.755 4.423 ( 0.000 20.476 -25.334) 32.574 4.534 ( 0.000 -20.542 -10.849) 23.231 4.550 ( 0.000 10.102 -18.454) 21.038 4.719 ( 0.000 11.677 -21.354) 24.339 4.833 ( 0.000 -6.204 0.592) 6.233 5.013 ( 0.000 -17.335 -12.681) 21.478 5.293 ( 0.000 -14.314 10.651) 17.842 5.533 ( 0.000 -12.432 -8.226) 14.907 5.605 ( 0.000 -7.064 14.696) 16.305 5.770 ( 0.000 -0.563 3.161) 3.211 5.820 ( 0.000 -5.678 13.042) 14.224 5.890 ( 0.000 -3.351 1.558) 3.696 5.948 ( 0.000 -7.526 -2.660) 7.983 6.084 ( 0.000 -15.891 -10.446) 19.017 6.399 ( 0.000 -11.055 8.068) 13.686 6.476 ( 0.000 -7.588 -0.375) 7.598 6.517 ( 0.000 -0.518 7.561) 7.579 6.769 ( 0.000 -2.614 5.886) 6.440 6.802 ( 0.000 -2.776 -13.601) 13.881 6.948 ( 0.000 -2.489 -7.988) 8.367 7.207 ( 0.000 13.538 13.245) 18.940 7.585 ( 0.000 13.681 -18.065) 22.661 7.703 ( 0.000 0.978 6.828) 6.898 7.850 ( 0.000 -0.667 3.474) 3.537 7.850 ( 0.000 2.628 -5.471) 6.069 7.902 ( 0.000 -1.029 0.960) 1.407 8.005 ( 0.000 4.693 1.083) 4.816 8.091 ( 0.000 -2.682 -2.937) 3.977 8.181 ( 0.000 -10.617 7.433) 12.960 8.252 ( 0.000 9.489 8.959) 13.050 8.379 ( 0.000 0.948 4.654) 4.750 8.396 ( 0.000 7.490 -3.659) 8.336 8.452 ( 0.000 -9.779 -11.130) 14.816 8.494 ( 0.000 -9.687 1.819) 9.857 8.523 ( 0.000 1.754 -5.018) 5.315 8.562 ( 0.000 -7.519 -2.996) 8.094 8.743 ( 0.000 -10.588 10.403) 14.844 8.924 ( 0.000 -8.081 7.313) 10.899 8.960 ( 0.000 -8.987 -7.404) 11.644 9.050 ( 0.000 -7.112 -3.722) 8.028 12.831 ( 0.000 5.872 2.594) 6.419 12.883 ( 0.000 6.095 -1.522) 6.282 12.890 ( 0.000 6.266 2.625) 6.794 12.974 ( 0.000 5.197 -3.877) 6.483 13.008 ( 0.000 1.365 2.636) 2.968 13.024 ( 0.000 4.284 2.639) 5.031 13.114 ( 0.000 1.336 -4.877) 5.057 13.121 ( 0.000 5.387 -5.223) 7.503 13.350 ( 0.000 3.199 5.255) 6.152 13.476 ( 0.000 3.541 -3.198) 4.771 13.509 ( 0.000 -2.414 6.104) 6.563 13.655 ( 0.000 7.247 1.652) 7.433 13.691 ( 0.000 -3.330 -9.054) 9.647 13.699 ( 0.000 8.407 -1.654) 8.568 14.052 ( 0.000 -6.044 6.439) 8.832 14.180 ( 0.000 -6.859 -4.504) 8.206 14.181 ( 0.000 2.624 9.756) 10.103 14.396 ( 0.000 4.225 -7.906) 8.965 14.552 ( 0.000 4.458 0.991) 4.566 14.586 ( 0.000 -8.474 7.242) 11.147 14.601 ( 0.000 6.889 -3.374) 7.671 14.742 ( 0.000 -6.063 -5.211) 7.995 14.820 ( 0.000 -3.373 5.817) 6.725 14.972 ( 0.000 -3.087 -6.322) 7.035 15.666 ( 0.000 3.545 5.142) 6.245 15.790 ( 0.000 1.647 -5.401) 5.647 15.983 ( 0.000 -4.084 0.919) 4.186 15.988 ( 0.000 -5.115 0.168) 5.118 16.156 ( 0.000 0.011 2.976) 2.976 16.156 ( 0.000 -0.533 8.563) 8.580 16.240 ( 0.000 1.245 -2.763) 3.030 16.340 ( 0.000 -1.017 -5.691) 5.781 16.356 ( 0.000 -0.310 7.200) 7.206 16.415 ( 0.000 6.189 0.379) 6.201 16.449 ( 0.000 3.537 -2.975) 4.622 16.549 ( 0.000 -1.783 4.065) 4.439 16.551 ( 0.000 -0.201 -8.846) 8.848 16.669 ( 0.000 0.535 -4.970) 4.998 16.792 ( 0.000 2.993 6.260) 6.939 16.837 ( 0.000 -3.601 1.483) 3.894 16.862 ( 0.000 -2.905 -0.734) 2.996 16.919 ( 0.000 2.699 -4.321) 5.095 17.021 ( 0.000 -0.460 0.991) 1.093 17.033 ( 0.000 -0.625 0.160) 0.646 17.042 ( 0.000 -2.734 2.447) 3.669 17.068 ( 0.000 -4.623 0.488) 4.649 17.190 ( 0.000 -5.602 -1.269) 5.744 17.210 ( 0.000 -4.400 -2.757) 5.193 17.401 ( 0.000 0.244 1.593) 1.612 17.457 ( 0.000 0.545 -3.186) 3.232 17.474 ( 0.000 -3.747 0.498) 3.780 17.488 ( 0.000 -3.905 -0.822) 3.990 17.603 ( 0.000 0.111 1.716) 1.720 17.616 ( 0.000 -0.245 0.283) 0.375 17.734 ( 0.000 1.049 0.626) 1.222 17.758 ( 0.000 0.966 -1.171) 1.518 17.855 ( 0.000 -0.448 3.702) 3.729 17.923 ( 0.000 -1.066 -2.023) 2.287 17.927 ( 0.000 -1.236 1.010) 1.596 17.964 ( 0.000 -0.894 -1.856) 2.060 18.194 ( 0.000 -3.569 6.053) 7.027 18.208 ( 0.000 -1.972 3.082) 3.659 18.274 ( 0.000 -0.967 -2.197) 2.400 18.328 ( 0.000 -4.909 -4.633) 6.750 18.838 ( 0.000 3.061 0.192) 3.067 18.850 ( 0.000 4.633 -0.697) 4.685 18.856 ( 0.000 3.874 0.451) 3.900 18.869 ( 0.000 3.690 -0.215) 3.696 18.989 ( 0.000 0.849 0.654) 1.072 19.007 ( 0.000 0.759 -0.782) 1.089 19.023 ( 0.000 0.244 0.458) 0.519 19.047 ( 0.000 -0.156 -1.254) 1.264 ======================= Grid point 133 (50/60) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 7.063 30.334 16.415) 35.206 2.771 ( 10.621 32.219 2.032) 33.985 2.974 ( 10.472 27.611 -15.210) 33.217 3.160 ( 14.486 30.463 -17.197) 37.863 3.972 ( 13.495 39.437 19.194) 45.889 4.090 ( 4.163 19.451 23.085) 30.473 4.174 ( 5.238 18.871 24.882) 31.665 4.336 ( 2.059 -19.017 3.934) 19.529 4.470 ( 0.903 -9.023 -12.785) 15.675 4.574 ( 6.960 3.861 -15.647) 17.555 4.637 ( 9.105 20.301 -22.350) 31.537 4.773 ( 5.680 8.336 -19.446) 21.906 4.892 ( 5.845 -10.111 2.142) 11.873 5.080 ( 5.766 -17.893 -10.746) 21.654 5.275 ( -1.095 -13.003 9.967) 16.420 5.511 ( -1.699 -10.111 -7.066) 12.452 5.645 ( 2.852 -8.955 11.944) 15.198 5.765 ( -0.797 -1.831 4.580) 4.996 5.821 ( -0.731 -4.917 6.508) 8.190 5.875 ( -0.352 -0.675 2.654) 2.761 5.941 ( -0.753 -7.327 -1.431) 7.504 6.056 ( -2.458 -14.001 -8.558) 16.592 6.377 ( -2.395 -9.871 5.947) 11.770 6.439 ( -4.422 -2.577 0.017) 5.118 6.508 ( -0.028 -4.693 9.250) 10.372 6.750 ( -1.964 -1.924 7.780) 8.252 6.806 ( 0.302 -2.890 -13.436) 13.746 6.965 ( 1.538 -2.965 -9.264) 9.848 7.167 ( -3.468 9.990 10.975) 15.241 7.486 ( -8.520 10.549 -15.205) 20.373 7.689 ( -1.756 0.704 5.828) 6.128 7.813 ( -3.988 2.110 -4.340) 6.260 7.873 ( -0.561 -2.103 5.045) 5.494 7.903 ( -1.229 -1.089 1.935) 2.538 7.976 ( -7.659 4.108 3.575) 9.398 8.036 ( -3.497 -6.236 4.072) 8.228 8.090 ( 0.689 2.357 -0.442) 2.495 8.257 ( -10.569 -11.160 -8.665) 17.645 8.312 ( 2.551 4.074 0.306) 4.817 8.335 ( -5.001 6.388 -0.950) 8.168 8.445 ( 4.720 3.132 4.468) 7.214 8.545 ( 2.060 1.954 -3.932) 4.850 8.600 ( 3.367 -9.827 1.876) 10.556 8.649 ( 6.192 -6.903 -2.729) 9.667 8.742 ( -0.487 -8.220 8.284) 11.681 8.868 ( -4.698 -7.345 3.640) 9.449 8.939 ( -6.412 -7.414 -3.940) 10.564 8.979 ( -2.385 -7.599 -4.382) 9.090 12.853 ( 2.223 5.959 2.925) 7.001 12.910 ( 3.186 6.225 -1.301) 7.113 12.943 ( 4.572 5.899 1.921) 7.707 13.011 ( 3.509 5.406 -2.947) 7.087 13.045 ( 3.785 1.155 1.996) 4.432 13.068 ( 4.288 4.081 2.251) 6.333 13.140 ( 3.021 1.969 -4.742) 5.958 13.159 ( 3.593 3.809 -4.542) 6.932 13.389 ( 3.945 3.260 4.840) 7.044 13.490 ( 1.504 2.632 0.219) 3.040 13.534 ( 2.991 0.040 1.891) 3.539 13.671 ( 1.024 1.661 -7.475) 7.725 13.725 ( 6.287 5.124 2.475) 8.480 13.790 ( 6.290 3.021 -2.913) 7.562 14.063 ( 1.234 -5.007 6.247) 8.101 14.171 ( 0.775 -4.168 -1.363) 4.453 14.249 ( 5.163 0.382 6.318) 8.169 14.437 ( 4.006 3.596 -7.218) 9.005 14.576 ( 2.262 3.117 1.026) 3.986 14.599 ( 1.608 -4.374 4.470) 6.458 14.633 ( 2.878 3.436 -1.652) 4.777 14.754 ( 1.185 -5.563 -5.013) 7.582 14.821 ( 0.006 -3.114 5.819) 6.600 14.973 ( 0.035 -2.872 -6.411) 7.025 15.668 ( 0.222 3.476 4.777) 5.912 15.780 ( -0.904 1.722 -4.755) 5.137 15.948 ( -3.589 -3.641 1.389) 5.298 15.968 ( -1.821 -3.655 -0.110) 4.085 16.108 ( -3.090 0.225 4.651) 5.589 16.118 ( -3.851 0.109 4.253) 5.739 16.232 ( -3.015 0.895 0.232) 3.153 16.272 ( -3.994 -0.237 -2.642) 4.794 16.364 ( -0.955 4.572 0.887) 4.754 16.406 ( -0.503 -0.176 -1.244) 1.354 16.449 ( 0.271 3.886 -1.023) 4.027 16.530 ( -1.563 -2.995 4.262) 5.439 16.545 ( -0.975 -0.722 -6.548) 6.660 16.642 ( -2.537 0.327 -4.590) 5.254 16.742 ( -3.932 -0.298 4.431) 5.931 16.808 ( -4.390 -2.629 -1.317) 5.284 16.838 ( -1.126 -0.849 2.739) 3.081 16.910 ( -1.314 1.751 -2.999) 3.713 17.000 ( -2.420 -0.005 1.164) 2.685 17.014 ( -1.109 -0.904 0.207) 1.445 17.057 ( 0.189 -4.175 1.453) 4.424 17.074 ( 0.747 -3.964 0.806) 4.114 17.175 ( -1.796 -5.201 -1.138) 5.619 17.196 ( -1.347 -4.535 -2.221) 5.226 17.372 ( -2.610 0.676 1.954) 3.330 17.436 ( -1.850 -0.032 -2.831) 3.382 17.475 ( -1.175 -2.895 -0.138) 3.127 17.489 ( 0.706 -2.885 -1.977) 3.568 17.624 ( 1.251 0.521 1.510) 2.029 17.633 ( 1.478 -1.050 0.832) 1.995 17.719 ( -1.137 0.443 1.047) 1.608 17.752 ( -0.550 -0.047 -1.320) 1.430 17.832 ( -1.857 -0.023 3.680) 4.122 17.906 ( -1.618 -1.203 -2.305) 3.062 17.924 ( -0.215 -1.289 0.701) 1.483 17.958 ( -0.402 -1.166 -1.935) 2.295 18.168 ( -1.037 -1.905 4.886) 5.346 18.250 ( 2.112 -3.675 3.410) 5.440 18.262 ( -0.742 -1.487 -2.291) 2.830 18.344 ( 1.016 -4.926 -3.605) 6.188 18.804 ( -2.719 3.554 0.233) 4.481 18.811 ( -2.674 4.659 -0.225) 5.377 18.868 ( -0.010 3.614 0.227) 3.621 18.878 ( -0.001 3.295 -0.223) 3.302 18.955 ( -2.893 1.502 0.757) 3.346 18.978 ( -2.538 1.348 -1.007) 3.045 19.016 ( -0.900 0.541 0.286) 1.088 19.037 ( -1.141 0.085 -1.167) 1.635 ======================= Grid point 134 (51/60) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 16.850 27.470 11.674) 34.276 3.006 ( 14.360 23.778 -13.272) 30.785 3.305 ( 20.982 29.217 0.188) 35.971 3.500 ( 19.737 28.528 -13.176) 37.108 4.184 ( 5.788 10.506 17.793) 21.459 4.305 ( 12.140 14.562 18.597) 26.557 4.367 ( 12.214 8.929 12.696) 19.751 4.405 ( 12.398 6.032 4.657) 14.553 4.484 ( 3.032 -12.338 -0.839) 12.733 4.731 ( 7.989 12.258 -10.330) 17.911 4.911 ( 11.998 14.692 -21.966) 29.022 4.936 ( 15.295 10.154 -20.217) 27.308 5.063 ( 11.888 -16.476 4.118) 20.730 5.171 ( 2.727 -13.297 3.138) 13.932 5.296 ( 3.570 -9.854 -1.352) 10.567 5.476 ( -1.570 -5.671 -7.841) 9.804 5.660 ( -2.377 -8.338 8.764) 12.328 5.751 ( -0.547 -2.451 3.994) 4.718 5.788 ( -1.176 -8.943 1.866) 9.211 5.865 ( -2.203 -1.220 2.067) 3.258 5.925 ( -1.170 -2.247 -2.379) 3.476 6.027 ( 0.420 -7.513 -4.739) 8.892 6.295 ( -6.932 -2.832 2.975) 8.058 6.321 ( -5.839 -4.368 1.451) 7.435 6.524 ( 1.477 -6.122 10.455) 12.206 6.696 ( -3.053 -1.067 11.930) 12.361 6.810 ( 0.057 -2.176 -11.878) 12.076 6.995 ( 1.324 -3.436 -12.069) 12.618 7.089 ( -4.676 3.194 6.119) 8.337 7.298 ( -10.313 5.451 -10.292) 15.556 7.605 ( -7.421 -2.751 3.929) 8.836 7.674 ( -10.357 -0.680 -1.312) 10.462 7.729 ( -11.653 1.498 3.256) 12.192 7.779 ( -8.773 -0.983 -0.131) 8.829 7.929 ( -2.549 -7.860 4.980) 9.648 7.963 ( 0.895 0.361 8.502) 8.557 8.087 ( -5.397 -10.204 -6.568) 13.282 8.149 ( -2.544 6.025 -2.169) 6.890 8.284 ( 4.284 6.463 -1.925) 7.989 8.338 ( -0.432 1.474 -4.218) 4.489 8.500 ( -6.352 -3.158 2.548) 7.538 8.531 ( -8.840 -2.231 -0.575) 9.135 8.613 ( 1.980 -1.798 6.112) 6.672 8.676 ( -0.473 0.152 -0.328) 0.595 8.735 ( -3.090 -5.433 0.900) 6.315 8.779 ( 2.537 -4.320 -1.520) 5.236 8.854 ( 0.721 -3.805 3.178) 5.010 8.979 ( 0.544 -6.285 -5.659) 8.475 12.917 ( 4.277 5.963 3.597) 8.173 12.999 ( 5.601 6.134 -2.317) 8.624 13.045 ( 5.544 5.217 1.894) 7.845 13.096 ( 4.891 5.399 -1.709) 7.483 13.146 ( 6.061 0.378 1.405) 6.233 13.174 ( 6.039 3.418 1.127) 7.030 13.232 ( 5.962 1.197 -3.937) 7.245 13.254 ( 5.922 2.224 -3.578) 7.267 13.497 ( 6.923 3.733 3.714) 8.698 13.545 ( 4.351 3.417 1.630) 5.767 13.624 ( 6.123 0.719 0.281) 6.171 13.733 ( 5.258 1.120 -8.150) 9.763 13.874 ( 8.433 2.810 2.825) 9.327 13.929 ( 7.669 2.659 -0.955) 8.173 14.100 ( 2.507 -3.038 5.627) 6.868 14.201 ( 2.028 -3.452 -2.932) 4.963 14.369 ( 6.514 1.166 7.532) 10.026 14.538 ( 5.868 2.255 -5.633) 8.441 14.633 ( 3.410 0.488 0.997) 3.586 14.641 ( 2.318 -2.360 2.597) 4.206 14.701 ( 3.889 2.713 -2.202) 5.228 14.780 ( 0.987 -3.926 -3.870) 5.600 14.819 ( -0.097 -2.566 4.937) 5.565 14.968 ( -0.706 -2.176 -6.578) 6.965 15.664 ( -1.169 2.720 4.477) 5.367 15.761 ( -1.025 1.677 -3.632) 4.129 15.865 ( -4.086 -1.465 2.239) 4.885 15.920 ( -3.083 -1.915 -2.033) 4.160 16.036 ( -3.310 0.618 4.364) 5.512 16.056 ( -2.444 1.329 2.523) 3.755 16.145 ( -5.672 0.521 0.157) 5.698 16.178 ( -3.201 1.343 -2.529) 4.295 16.364 ( -0.054 2.129 1.054) 2.376 16.389 ( -1.554 0.965 -0.928) 2.051 16.421 ( -2.969 -0.011 1.809) 3.477 16.499 ( -3.703 -1.479 -4.171) 5.770 16.511 ( -0.593 -2.815 2.213) 3.629 16.591 ( -2.196 -1.179 -3.859) 4.594 16.654 ( -4.958 -1.892 2.523) 5.876 16.708 ( -5.419 -2.390 -1.839) 6.202 16.797 ( -2.785 -0.027 3.485) 4.461 16.869 ( -2.726 0.768 -2.497) 3.776 16.938 ( -3.684 0.006 1.710) 4.061 16.978 ( -2.613 -0.551 -1.145) 2.905 17.045 ( -1.094 -5.750 2.036) 6.197 17.084 ( -0.142 -4.498 0.250) 4.508 17.123 ( -3.243 -4.445 0.104) 5.503 17.153 ( -3.267 -4.317 -0.908) 5.490 17.313 ( -3.273 1.378 2.009) 4.080 17.386 ( -3.114 0.293 -3.294) 4.542 17.439 ( -2.279 -1.690 0.276) 2.851 17.489 ( -1.011 -2.117 -3.916) 4.565 17.622 ( -1.337 -0.363 2.052) 2.476 17.643 ( -1.090 -0.838 0.990) 1.694 17.694 ( -2.411 -0.986 1.468) 2.990 17.745 ( -0.118 -2.626 -1.939) 3.267 17.810 ( 0.267 0.837 2.869) 3.000 17.875 ( -0.790 -1.060 -2.380) 2.722 17.927 ( 0.585 -1.824 0.585) 2.002 17.959 ( 0.626 -1.924 -1.917) 2.787 18.151 ( -0.852 -1.556 4.396) 4.741 18.241 ( -1.406 -1.686 -2.850) 3.598 18.272 ( -0.376 -4.647 3.265) 5.692 18.346 ( -1.262 -5.020 -2.654) 5.817 18.744 ( -3.061 4.679 0.647) 5.628 18.760 ( -2.388 5.230 -0.288) 5.756 18.835 ( -3.260 3.233 1.160) 4.736 18.860 ( -1.994 2.416 -0.469) 3.168 18.908 ( -1.488 2.893 0.627) 3.313 18.933 ( -1.338 3.083 -1.323) 3.612 18.988 ( -1.808 0.772 -0.030) 1.966 19.005 ( -1.930 0.341 -1.076) 2.236 ======================= Grid point 135 (52/60) ======================= q-point: ( 0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 22.365 23.115 8.023) 33.150 3.332 ( 18.587 17.692 -14.136) 29.297 3.731 ( 22.096 26.331 3.882) 34.593 3.910 ( 21.902 24.549 -10.444) 34.517 4.271 ( 1.732 2.248 8.458) 8.921 4.353 ( -3.268 -8.663 -2.752) 9.659 4.563 ( 13.076 6.992 13.943) 20.354 4.586 ( 7.704 3.047 6.408) 10.474 4.881 ( 7.376 6.821 -2.714) 10.406 4.913 ( 23.202 11.803 8.251) 27.308 5.066 ( 8.173 5.950 -10.076) 14.273 5.234 ( 6.461 -7.615 7.352) 12.401 5.260 ( 10.348 -1.647 -8.339) 13.392 5.299 ( 7.472 -11.848 -0.393) 14.012 5.353 ( 3.527 4.460 -4.761) 7.416 5.539 ( 11.197 3.568 -12.044) 16.828 5.581 ( -4.500 -5.753 5.609) 9.209 5.720 ( -6.276 -6.461 -3.493) 9.661 5.769 ( 3.166 -5.767 5.021) 8.276 5.821 ( -0.860 0.424 4.924) 5.017 5.915 ( 0.306 -0.053 -3.330) 3.344 6.032 ( 0.149 -4.949 -8.681) 9.994 6.136 ( -8.397 -2.233 4.520) 9.794 6.222 ( -4.929 -4.526 -2.435) 7.121 6.561 ( 2.402 -5.216 11.484) 12.840 6.659 ( -0.694 -2.212 14.992) 15.170 6.810 ( 0.305 0.263 -8.491) 8.501 6.963 ( -8.536 -0.887 1.598) 8.730 7.026 ( 2.198 -2.992 -13.736) 14.228 7.107 ( -7.800 -0.091 -6.581) 10.206 7.421 ( -11.203 -8.899 1.810) 14.421 7.445 ( -12.796 -5.680 -0.073) 14.000 7.515 ( -8.992 0.044 1.464) 9.110 7.549 ( -14.063 -1.609 -1.871) 14.278 7.921 ( -0.733 -8.042 1.763) 8.265 7.951 ( -0.330 -0.908 9.583) 9.632 8.019 ( -6.976 -7.776 -0.662) 10.467 8.088 ( -8.770 0.018 3.666) 9.506 8.141 ( -12.362 0.205 2.935) 12.707 8.219 ( -12.671 -1.118 -5.171) 13.731 8.350 ( -0.827 3.083 -4.416) 5.449 8.469 ( 6.659 6.991 -8.756) 13.034 8.697 ( 3.866 0.437 7.014) 8.021 8.715 ( 0.477 1.114 4.191) 4.362 8.727 ( 1.830 -0.544 3.497) 3.984 8.818 ( 1.977 1.176 1.386) 2.686 8.891 ( 2.070 -1.412 -2.172) 3.316 8.983 ( -0.383 -3.066 -5.853) 6.618 13.016 ( 5.707 5.505 3.971) 8.868 13.114 ( 5.832 5.444 -1.459) 8.110 13.154 ( 5.583 4.631 0.107) 7.254 13.197 ( 5.343 3.480 -0.587) 6.403 13.253 ( 4.178 0.848 0.321) 4.275 13.279 ( 4.205 1.399 1.775) 4.773 13.338 ( 4.232 0.285 -3.786) 5.686 13.370 ( 5.214 0.678 -3.472) 6.301 13.654 ( 8.985 5.151 2.450) 10.642 13.667 ( 8.505 4.617 1.299) 9.764 13.770 ( 8.739 0.808 0.674) 8.802 13.868 ( 8.228 0.814 -7.100) 10.899 14.032 ( 7.095 1.047 3.200) 7.854 14.076 ( 6.972 2.112 0.698) 7.318 14.157 ( 3.214 -0.587 3.908) 5.094 14.237 ( 1.265 -1.536 -2.963) 3.569 14.472 ( 3.415 1.730 7.658) 8.561 14.638 ( 3.222 1.301 -4.986) 6.077 14.672 ( 0.920 -0.010 1.964) 2.169 14.702 ( 3.424 -2.510 1.696) 4.571 14.758 ( -0.516 -0.246 0.771) 0.960 14.788 ( 2.168 1.307 -3.844) 4.603 14.831 ( 1.089 -2.642 -0.485) 2.899 14.940 ( -2.124 -1.210 -6.262) 6.722 15.621 ( -2.376 1.651 4.902) 5.692 15.722 ( -3.284 1.305 -3.331) 4.856 15.806 ( -2.421 -1.507 1.306) 3.136 15.854 ( -3.541 -0.821 -3.142) 4.805 16.027 ( 2.166 0.380 2.894) 3.634 16.030 ( 1.326 2.573 2.201) 3.636 16.082 ( 0.013 0.127 2.919) 2.922 16.150 ( -0.111 1.085 -2.214) 2.468 16.334 ( -2.694 0.806 1.257) 3.080 16.346 ( -3.099 0.493 1.434) 3.450 16.365 ( -2.176 -1.314 -0.407) 2.575 16.413 ( -4.232 -1.668 -3.119) 5.515 16.486 ( -2.810 -5.110 3.395) 6.748 16.555 ( -3.860 -0.994 1.208) 4.165 16.566 ( -1.814 -2.815 -3.211) 4.640 16.617 ( -3.114 -1.269 -2.743) 4.339 16.740 ( -2.698 -0.047 3.142) 4.142 16.808 ( -3.351 0.571 -2.583) 4.270 16.873 ( -2.583 0.257 2.385) 3.525 16.920 ( -2.953 -0.636 -1.273) 3.278 17.015 ( -2.310 -6.201 1.885) 6.881 17.049 ( -4.330 -4.640 1.717) 6.575 17.057 ( -3.154 -4.229 -1.153) 5.400 17.072 ( -4.699 -3.174 -0.325) 5.680 17.252 ( -2.424 1.557 2.537) 3.839 17.324 ( -2.963 0.177 -1.690) 3.416 17.398 ( -1.619 -0.768 -0.888) 2.000 17.455 ( -2.032 -1.063 -4.174) 4.763 17.580 ( -3.414 -1.804 1.915) 4.311 17.594 ( -3.175 -3.127 1.589) 4.731 17.635 ( -3.132 -1.095 0.365) 3.338 17.696 ( -4.727 -2.286 -3.723) 6.436 17.851 ( 3.355 -0.827 2.072) 4.029 17.888 ( 1.616 -1.126 -0.947) 2.185 17.945 ( 1.270 -2.879 1.135) 3.345 17.980 ( 1.416 -2.689 -1.616) 3.442 18.134 ( -0.996 -1.419 3.075) 3.530 18.202 ( -2.682 -1.862 -1.976) 3.816 18.235 ( -3.017 -4.023 1.677) 5.301 18.287 ( -4.650 -4.207 -2.035) 6.593 18.697 ( -1.595 5.897 1.327) 6.251 18.725 ( -1.135 5.664 -0.200) 5.780 18.773 ( -2.635 4.437 1.511) 5.377 18.814 ( -2.227 3.330 -1.137) 4.165 18.888 ( -0.615 2.380 1.025) 2.663 18.923 ( -0.110 2.915 -1.628) 3.340 18.951 ( -1.854 0.820 0.059) 2.028 18.970 ( -1.573 0.519 -1.084) 1.980 ======================= Grid point 136 (53/60) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 22.359 17.719 5.095) 28.980 3.703 ( 18.760 12.044 -11.364) 25.023 4.143 ( 15.467 17.246 6.714) 24.119 4.188 ( -5.151 5.334 1.950) 7.668 4.255 ( -5.199 2.236 -3.631) 6.724 4.348 ( 19.496 15.950 -10.214) 27.181 4.684 ( 0.917 5.387 12.504) 13.646 4.857 ( 14.747 6.813 6.983) 17.682 4.963 ( 0.006 6.200 -2.466) 6.672 4.998 ( -3.979 6.128 -2.636) 7.767 5.236 ( 4.468 3.053 1.986) 5.764 5.317 ( -3.205 -4.682 2.761) 6.310 5.391 ( 0.614 -6.063 -2.458) 6.571 5.394 ( 5.988 3.236 -4.479) 8.148 5.471 ( -1.012 -2.795 2.773) 4.065 5.533 ( -4.680 1.002 0.004) 4.786 5.660 ( 12.285 -1.708 -0.039) 12.403 5.727 ( 4.053 -3.184 -0.381) 5.168 5.847 ( 10.465 -0.611 5.838) 11.999 5.894 ( 1.368 -4.529 1.165) 4.873 5.945 ( -5.353 -2.897 0.735) 6.131 6.064 ( 13.653 -1.208 -10.297) 17.143 6.082 ( -1.143 -8.398 -1.141) 8.552 6.144 ( 1.834 -3.502 -5.919) 7.117 6.599 ( -0.342 0.688 6.360) 6.406 6.641 ( 2.119 -1.939 11.130) 11.494 6.781 ( -6.287 0.401 -2.291) 6.703 6.893 ( 8.084 -2.406 -0.716) 8.465 7.036 ( -0.610 -4.976 -2.777) 5.731 7.101 ( 3.003 -1.758 -6.873) 7.704 7.145 ( -15.068 -7.145 2.560) 16.872 7.203 ( -13.013 -9.209 -3.056) 16.232 7.287 ( -10.479 -7.147 0.997) 12.723 7.380 ( -4.970 -4.108 -4.600) 7.921 7.560 ( -26.016 -3.037 7.545) 27.257 7.756 ( -17.443 -5.809 -7.144) 19.724 7.960 ( 0.737 -1.943 7.854) 8.124 8.002 ( -0.170 -0.009 -1.134) 1.147 8.067 ( -0.272 -3.027 -4.817) 5.696 8.133 ( -0.817 0.478 -2.631) 2.796 8.379 ( 4.320 4.941 4.888) 8.183 8.610 ( 5.092 6.699 -5.305) 9.947 8.658 ( -3.856 4.330 4.903) 7.594 8.740 ( 1.212 -2.569 8.114) 8.597 8.777 ( 2.455 2.950 4.696) 6.065 8.881 ( 2.551 3.166 -0.829) 4.149 8.902 ( -0.614 2.328 -4.586) 5.179 8.967 ( -0.806 -0.616 -5.545) 5.637 13.131 ( 5.825 4.380 3.819) 8.228 13.219 ( 4.886 3.385 1.854) 6.227 13.255 ( 4.300 3.920 -2.607) 6.377 13.276 ( 1.045 0.768 2.072) 2.444 13.304 ( 2.152 2.552 -0.667) 3.404 13.332 ( 1.261 0.743 2.024) 2.498 13.389 ( 1.462 0.552 -5.540) 5.756 13.435 ( 1.241 0.042 -4.430) 4.600 13.835 ( 9.422 5.313 2.759) 11.163 13.863 ( 10.419 4.578 -0.354) 11.385 13.944 ( 8.084 1.313 1.741) 8.373 14.026 ( 6.548 0.807 -4.652) 8.072 14.116 ( 1.457 1.098 4.371) 4.737 14.179 ( 2.757 1.651 2.098) 3.838 14.216 ( 1.613 1.209 0.310) 2.039 14.248 ( 0.816 0.247 -2.764) 2.892 14.505 ( 0.923 3.032 7.210) 7.876 14.624 ( -3.475 1.847 2.514) 4.670 14.685 ( -0.220 1.510 -3.802) 4.097 14.733 ( -1.257 -1.359 -0.397) 1.893 14.762 ( 2.523 -1.952 1.280) 3.437 14.811 ( -0.609 0.567 -4.296) 4.376 14.854 ( 1.118 -1.874 -3.034) 3.737 14.897 ( -1.883 -1.097 -4.933) 5.393 15.607 ( 1.298 0.690 4.028) 4.288 15.666 ( -1.602 1.088 -0.648) 2.042 15.755 ( -2.751 -1.917 -0.019) 3.353 15.781 ( -3.922 -1.816 -2.441) 4.964 16.089 ( 3.412 -0.084 3.166) 4.655 16.094 ( 3.394 1.260 2.471) 4.384 16.137 ( 4.334 1.116 1.795) 4.822 16.177 ( 3.328 0.255 -1.883) 3.832 16.262 ( -3.227 -2.273 1.486) 4.217 16.313 ( -2.064 -3.893 -2.402) 5.018 16.325 ( -0.248 1.747 1.576) 2.366 16.377 ( 0.561 0.458 -2.192) 2.309 16.416 ( -3.088 -5.326 3.612) 7.138 16.454 ( -4.663 -1.667 1.701) 5.236 16.541 ( -2.770 -4.635 -1.752) 5.677 16.574 ( -2.969 -2.466 -2.366) 4.527 16.720 ( 1.381 1.209 1.710) 2.509 16.760 ( -0.583 1.368 -1.665) 2.232 16.836 ( -1.637 0.212 2.252) 2.792 16.877 ( -1.059 -0.915 0.258) 1.424 16.927 ( -6.239 -2.466 -0.201) 6.711 16.960 ( -4.303 -3.268 -0.820) 5.465 16.971 ( -4.799 -3.663 0.197) 6.040 16.993 ( -3.575 -2.870 -0.902) 4.672 17.236 ( 0.593 0.702 3.899) 4.005 17.280 ( -1.466 -0.353 2.436) 2.865 17.382 ( -0.101 0.165 -3.919) 3.924 17.422 ( -1.570 -0.049 -5.072) 5.310 17.509 ( -2.602 -3.835 2.678) 5.353 17.535 ( -2.815 -4.826 0.786) 5.642 17.575 ( -2.862 -2.098 -0.520) 3.586 17.598 ( -4.529 -2.385 -2.618) 5.749 17.917 ( 2.501 -1.774 0.828) 3.176 17.929 ( 3.237 -2.304 0.144) 3.976 17.967 ( 0.540 -3.713 1.761) 4.145 18.006 ( 0.958 -3.444 -1.354) 3.822 18.113 ( -1.029 -1.081 1.342) 2.007 18.144 ( -2.633 -1.298 -0.846) 3.055 18.168 ( -3.966 -2.370 0.142) 4.622 18.191 ( -4.090 -2.770 -1.605) 5.194 18.682 ( -0.060 6.222 1.964) 6.525 18.709 ( -0.806 5.498 1.935) 5.884 18.741 ( -0.495 5.571 -0.830) 5.654 18.778 ( -1.601 4.432 -1.678) 5.002 18.885 ( 0.312 1.531 1.245) 1.998 18.917 ( -1.016 1.043 -0.139) 1.463 18.926 ( -0.095 1.786 -1.023) 2.061 18.946 ( -0.918 0.807 -1.216) 1.724 ======================= Grid point 137 (54/60) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( -17.333 10.625 3.078) 20.562 3.904 ( 17.333 10.625 3.078) 20.562 4.039 ( -14.483 5.687 -8.227) 17.600 4.039 ( 14.483 5.687 -8.227) 17.600 4.513 ( -14.847 13.246 9.538) 22.065 4.513 ( 14.847 13.246 9.538) 22.065 4.735 ( -16.427 12.092 -9.155) 22.358 4.735 ( 16.427 12.092 -9.155) 22.358 5.107 ( -8.368 2.303 6.581) 10.891 5.107 ( 8.368 2.303 6.581) 10.891 5.165 ( -10.847 5.321 1.789) 12.213 5.165 ( 10.847 5.321 1.789) 12.213 5.421 ( -5.401 2.038 2.440) 6.267 5.421 ( 5.401 2.038 2.440) 6.267 5.507 ( -1.326 -2.086 -2.104) 3.246 5.507 ( 1.326 -2.086 -2.104) 3.246 5.780 ( -3.227 -6.070 -2.026) 7.167 5.780 ( 3.227 -6.070 -2.026) 7.167 5.813 ( -8.538 -6.686 -3.418) 11.370 5.813 ( 8.538 -6.686 -3.418) 11.370 6.136 ( -4.601 -5.665 1.224) 7.400 6.136 ( 4.601 -5.665 1.224) 7.400 6.174 ( -4.919 -5.384 -1.759) 7.502 6.174 ( 4.919 -5.384 -1.759) 7.502 6.684 ( -7.440 1.147 5.847) 9.531 6.684 ( 7.440 1.147 5.847) 9.531 6.826 ( -13.739 -2.741 -4.140) 14.609 6.826 ( 13.739 -2.741 -4.140) 14.609 6.980 ( -7.607 -3.280 7.110) 10.917 6.980 ( 7.607 -3.280 7.110) 10.917 7.109 ( -11.709 -3.581 1.205) 12.304 7.109 ( 11.709 -3.581 1.205) 12.304 7.209 ( -8.572 -6.678 1.281) 10.942 7.209 ( 8.572 -6.678 1.281) 10.942 7.440 ( -12.290 -4.012 -13.065) 18.380 7.440 ( 12.290 -4.012 -13.065) 18.380 7.982 ( -1.368 -2.091 3.263) 4.110 7.982 ( 1.368 -2.091 3.263) 4.110 8.100 ( -2.227 -2.396 -5.771) 6.633 8.100 ( 2.227 -2.396 -5.771) 6.633 8.505 ( -7.728 6.142 10.902) 14.707 8.505 ( 7.728 6.142 10.902) 14.707 8.731 ( -2.975 2.687 -1.277) 4.207 8.731 ( 2.975 2.687 -1.277) 4.207 8.830 ( -3.612 2.874 0.478) 4.641 8.830 ( 3.612 2.874 0.478) 4.641 8.945 ( -1.915 1.921 -3.683) 4.574 8.945 ( 1.915 1.921 -3.683) 4.574 13.230 ( -4.062 2.723 3.207) 5.848 13.230 ( 4.062 2.723 3.207) 5.848 13.297 ( -2.513 0.928 4.076) 4.877 13.297 ( 2.513 0.928 4.076) 4.877 13.328 ( -1.839 3.029 -3.844) 5.228 13.328 ( 1.839 3.029 -3.844) 5.228 13.424 ( -1.885 0.558 -5.334) 5.685 13.424 ( 1.885 0.558 -5.334) 5.685 13.987 ( -4.145 3.265 2.738) 5.945 13.987 ( 4.145 3.265 2.738) 5.945 14.037 ( -4.984 2.926 -1.435) 5.956 14.037 ( 4.984 2.926 -1.435) 5.956 14.157 ( -3.560 1.920 4.103) 5.761 14.157 ( 3.560 1.920 4.103) 5.761 14.250 ( -2.087 0.593 -3.212) 3.876 14.250 ( 2.087 0.593 -3.212) 3.876 14.547 ( -3.579 3.373 5.958) 7.725 14.547 ( 3.579 3.373 5.958) 7.725 14.695 ( -1.822 1.022 -5.100) 5.511 14.695 ( 1.822 1.022 -5.100) 5.511 14.795 ( -0.987 -1.574 0.662) 1.973 14.795 ( 0.987 -1.574 0.662) 1.973 14.870 ( -0.927 -1.755 -4.773) 5.169 14.870 ( 0.927 -1.755 -4.773) 5.169 15.650 ( -1.600 0.014 3.309) 3.675 15.650 ( 1.600 0.014 3.309) 3.675 15.722 ( -0.715 -1.562 -2.515) 3.046 15.722 ( 0.715 -1.562 -2.515) 3.046 16.125 ( -0.152 0.564 3.720) 3.765 16.125 ( 0.152 0.564 3.720) 3.765 16.202 ( -1.488 -0.704 -1.871) 2.492 16.202 ( 1.488 -0.704 -1.871) 2.492 16.290 ( -4.438 0.049 1.976) 4.858 16.290 ( 4.438 0.049 1.976) 4.858 16.315 ( -3.435 -3.043 -0.473) 4.613 16.315 ( 3.435 -3.043 -0.473) 4.613 16.448 ( -5.251 -3.324 0.962) 6.289 16.448 ( 5.251 -3.324 0.962) 6.289 16.485 ( -5.154 -3.268 -0.762) 6.150 16.485 ( 5.154 -3.268 -0.762) 6.150 16.778 ( -3.497 0.947 1.133) 3.796 16.778 ( 3.497 0.947 1.133) 3.796 16.811 ( -4.822 -0.112 -1.129) 4.953 16.811 ( 4.822 -0.112 -1.129) 4.953 16.893 ( -2.762 -1.673 0.956) 3.368 16.893 ( 2.762 -1.673 0.956) 3.368 16.933 ( -1.766 -2.256 -1.926) 3.452 16.933 ( 1.766 -2.256 -1.926) 3.452 17.258 ( -1.198 0.063 4.896) 5.040 17.258 ( 1.198 0.063 4.896) 5.040 17.391 ( -1.140 0.394 -6.028) 6.147 17.391 ( 1.140 0.394 -6.028) 6.147 17.498 ( -0.964 -4.929 1.884) 5.364 17.498 ( 0.964 -4.929 1.884) 5.364 17.543 ( -0.458 -3.004 -1.424) 3.356 17.543 ( 0.458 -3.004 -1.424) 3.356 17.955 ( -1.576 -3.117 1.897) 3.975 17.955 ( 1.576 -3.117 1.897) 3.975 17.995 ( -2.583 -3.711 -1.363) 4.722 17.995 ( 2.583 -3.711 -1.363) 4.722 18.104 ( -1.063 -0.536 1.076) 1.605 18.104 ( 1.063 -0.536 1.076) 1.605 18.138 ( -1.467 -1.821 -1.593) 2.829 18.138 ( 1.467 -1.821 -1.593) 2.829 18.691 ( -0.855 5.929 2.602) 6.531 18.691 ( 0.855 5.929 2.602) 6.531 18.750 ( -1.159 5.253 -2.009) 5.742 18.750 ( 1.159 5.253 -2.009) 5.742 18.898 ( -0.877 1.024 1.090) 1.733 18.898 ( 0.877 1.024 1.090) 1.733 18.932 ( -0.519 1.268 -1.508) 2.038 18.932 ( 0.519 1.268 -1.508) 2.038 ======================= Grid point 143 (55/60) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 0.000 31.222 14.738) 34.526 3.359 ( 0.000 32.540 6.795) 33.242 3.438 ( 0.000 24.406 -20.583) 31.927 3.518 ( 0.000 3.392 -3.702) 5.021 3.839 ( 0.000 -4.043 -0.164) 4.047 4.024 ( 0.000 -23.313 -11.803) 26.131 4.069 ( 0.000 -26.884 6.298) 27.612 4.201 ( 0.000 -12.651 -0.554) 12.664 4.607 ( 0.000 9.561 11.270) 14.779 4.619 ( 0.000 18.522 18.425) 26.126 4.783 ( 0.000 28.759 7.325) 29.678 4.902 ( 0.000 -3.958 9.121) 9.943 4.990 ( 0.000 5.855 -11.488) 12.894 5.118 ( 0.000 10.939 -10.068) 14.867 5.146 ( 0.000 6.116 -13.462) 14.786 5.264 ( 0.000 -13.132 -8.656) 15.729 5.390 ( 0.000 3.240 5.899) 6.731 5.643 ( 0.000 -18.167 4.197) 18.645 5.652 ( 0.000 -13.364 -9.300) 16.282 5.740 ( 0.000 -14.418 -2.778) 14.683 5.901 ( 0.000 9.054 5.113) 10.398 5.983 ( 0.000 9.262 0.866) 9.302 6.148 ( 0.000 -12.731 4.425) 13.478 6.228 ( 0.000 -13.709 -1.222) 13.763 6.572 ( 0.000 4.331 5.979) 7.383 6.678 ( 0.000 -5.467 6.262) 8.313 6.798 ( 0.000 2.336 -12.746) 12.959 6.873 ( 0.000 -4.288 -9.743) 10.645 7.509 ( 0.000 15.125 13.470) 20.253 7.742 ( 0.000 3.429 6.964) 7.762 7.770 ( 0.000 -8.011 9.740) 12.612 7.861 ( 0.000 -7.156 4.665) 8.542 7.879 ( 0.000 13.512 -15.877) 20.849 7.900 ( 0.000 3.142 -5.176) 6.055 7.935 ( 0.000 -3.302 5.689) 6.578 8.107 ( 0.000 2.960 -2.352) 3.781 8.146 ( 0.000 -3.546 -8.892) 9.573 8.227 ( 0.000 -0.447 -9.174) 9.185 8.266 ( 0.000 -10.334 4.872) 11.424 8.383 ( 0.000 -7.237 -2.303) 7.595 8.434 ( 0.000 2.116 6.102) 6.459 8.441 ( 0.000 3.445 3.719) 5.070 8.541 ( 0.000 3.687 -2.035) 4.211 8.562 ( 0.000 1.511 -4.387) 4.640 8.616 ( 0.000 0.771 9.851) 9.881 8.745 ( 0.000 -8.995 8.589) 12.437 8.832 ( 0.000 -2.012 -7.310) 7.582 8.900 ( 0.000 -6.880 -4.828) 8.405 12.936 ( 0.000 4.042 2.877) 4.961 12.983 ( 0.000 0.448 2.099) 2.147 12.992 ( 0.000 4.274 -1.762) 4.623 13.024 ( 0.000 2.887 3.726) 4.714 13.044 ( 0.000 -0.138 -2.453) 2.457 13.069 ( 0.000 -0.144 3.048) 3.051 13.155 ( 0.000 2.663 -5.743) 6.331 13.184 ( 0.000 0.583 -6.061) 6.089 13.413 ( 0.000 2.766 4.251) 5.071 13.462 ( 0.000 -2.173 4.930) 5.387 13.545 ( 0.000 3.386 -5.551) 6.502 13.618 ( 0.000 -3.662 -7.785) 8.603 13.797 ( 0.000 6.525 3.531) 7.419 13.869 ( 0.000 8.061 -2.199) 8.355 13.925 ( 0.000 -6.177 5.636) 8.362 14.030 ( 0.000 -7.628 -3.318) 8.318 14.265 ( 0.000 5.775 10.666) 12.129 14.412 ( 0.000 -8.182 9.226) 12.332 14.494 ( 0.000 5.341 -7.921) 9.553 14.614 ( 0.000 -6.247 -7.033) 9.407 14.645 ( 0.000 4.672 3.143) 5.631 14.740 ( 0.000 -4.401 5.139) 6.766 14.752 ( 0.000 7.324 -5.643) 9.246 14.885 ( 0.000 -5.445 -6.598) 8.555 15.756 ( 0.000 5.103 3.533) 6.207 15.837 ( 0.000 2.820 -3.260) 4.311 15.870 ( 0.000 -5.841 1.657) 6.072 15.904 ( 0.000 -3.716 -1.024) 3.854 16.147 ( 0.000 -0.122 7.383) 7.384 16.151 ( 0.000 -0.356 5.203) 5.216 16.264 ( 0.000 1.182 -3.556) 3.748 16.297 ( 0.000 -2.061 -4.376) 4.837 16.375 ( 0.000 2.164 7.058) 7.382 16.434 ( 0.000 -3.197 5.308) 6.197 16.551 ( 0.000 4.926 -3.349) 5.956 16.566 ( 0.000 1.311 -8.576) 8.675 16.617 ( 0.000 6.328 -1.552) 6.516 16.662 ( 0.000 0.869 -5.168) 5.240 16.737 ( 0.000 -5.809 0.713) 5.852 16.768 ( 0.000 -6.171 -2.123) 6.526 16.887 ( 0.000 5.475 6.084) 8.185 16.987 ( 0.000 -3.810 4.084) 5.586 17.002 ( 0.000 3.974 -2.298) 4.590 17.010 ( 0.000 -0.573 1.984) 2.065 17.012 ( 0.000 0.663 0.455) 0.804 17.035 ( 0.000 0.771 -0.783) 1.099 17.078 ( 0.000 -4.351 -1.135) 4.496 17.113 ( 0.000 -5.101 -3.567) 6.224 17.395 ( 0.000 -0.110 1.104) 1.109 17.413 ( 0.000 -1.957 0.679) 2.071 17.432 ( 0.000 -1.414 -0.821) 1.635 17.434 ( 0.000 -1.459 -2.126) 2.579 17.648 ( 0.000 3.887 1.274) 4.091 17.660 ( 0.000 3.236 0.069) 3.237 17.719 ( 0.000 -2.375 0.510) 2.430 17.731 ( 0.000 -3.222 -0.157) 3.226 17.868 ( 0.000 1.512 2.242) 2.704 17.900 ( 0.000 -1.443 1.360) 1.983 17.923 ( 0.000 0.806 -2.132) 2.279 17.944 ( 0.000 -1.051 -2.135) 2.380 18.151 ( 0.000 -0.490 4.868) 4.892 18.167 ( 0.000 -1.684 3.950) 4.294 18.253 ( 0.000 -0.704 -2.982) 3.064 18.260 ( 0.000 -1.671 -3.828) 4.177 18.898 ( 0.000 2.353 1.231) 2.655 18.914 ( 0.000 1.209 0.895) 1.504 18.928 ( 0.000 1.933 -0.023) 1.933 18.929 ( 0.000 2.443 -1.115) 2.686 18.998 ( 0.000 0.458 0.332) 0.566 19.014 ( 0.000 0.029 -0.887) 0.888 19.016 ( 0.000 -0.527 -0.349) 0.632 19.027 ( 0.000 -1.649 -0.938) 1.897 ======================= Grid point 144 (56/60) ======================= q-point: ( 0.10 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 5.831 31.017 11.755) 33.679 3.390 ( 2.763 27.478 -10.476) 29.537 3.555 ( 13.201 25.733 -0.936) 28.937 3.627 ( 8.860 -6.638 -1.316) 11.149 3.913 ( 7.650 7.057 -5.415) 11.733 3.992 ( -0.268 -21.633 -8.531) 23.256 4.200 ( 11.210 -25.441 5.606) 28.361 4.303 ( 8.597 -8.339 4.230) 12.702 4.626 ( 2.261 7.139 11.265) 13.527 4.666 ( 4.708 9.555 13.919) 17.527 4.811 ( 2.534 22.556 6.987) 23.749 4.916 ( 2.417 3.732 9.099) 10.127 5.016 ( 2.270 4.182 -11.109) 12.085 5.156 ( 3.740 8.650 -15.152) 17.844 5.189 ( 4.244 6.719 -8.244) 11.451 5.274 ( 1.392 -9.630 -7.567) 12.326 5.408 ( 1.808 0.969 5.559) 5.925 5.630 ( -0.902 -13.823 1.069) 13.894 5.661 ( 0.073 -14.127 -6.266) 15.454 5.725 ( -1.023 -13.027 -2.903) 13.386 5.924 ( 2.005 8.238 4.936) 9.810 6.006 ( 2.278 8.806 0.780) 9.129 6.150 ( 0.164 -11.609 4.256) 12.366 6.234 ( 0.493 -12.614 -1.349) 12.695 6.547 ( -2.488 4.809 7.122) 8.946 6.662 ( -1.688 -5.805 7.143) 9.358 6.800 ( 0.258 2.387 -13.692) 13.901 6.881 ( 0.686 -4.727 -10.933) 11.931 7.421 ( -7.855 13.878 11.520) 19.673 7.670 ( -7.752 -2.862 5.223) 9.776 7.722 ( -12.035 5.683 -7.568) 15.311 7.761 ( -0.716 -2.893 6.872) 7.491 7.831 ( -3.851 -4.204 3.980) 6.953 7.860 ( -5.537 1.441 -3.931) 6.942 7.906 ( -3.135 -0.717 -0.397) 3.240 8.001 ( -9.465 -10.880 -8.617) 16.799 8.104 ( -0.972 7.736 5.510) 9.547 8.271 ( 6.078 8.939 -5.821) 12.277 8.312 ( 0.260 -9.490 5.696) 11.071 8.438 ( 0.220 1.059 -1.016) 1.484 8.475 ( 4.742 -2.173 -0.116) 5.217 8.513 ( -3.108 3.854 -1.053) 5.061 8.516 ( 6.236 0.624 1.263) 6.393 8.574 ( 1.219 -1.850 -0.836) 2.368 8.642 ( 2.764 -0.167 5.634) 6.278 8.715 ( -2.407 -6.784 4.790) 8.646 8.811 ( -3.024 -3.750 -5.169) 7.066 8.837 ( -3.020 -5.621 -4.473) 7.793 12.961 ( 2.455 4.281 3.342) 5.960 13.011 ( 2.968 1.293 1.543) 3.586 13.039 ( 4.172 2.108 -0.907) 4.761 13.057 ( 3.335 3.948 3.349) 6.158 13.085 ( 4.078 -0.314 -2.773) 4.942 13.111 ( 4.065 -0.434 2.445) 4.764 13.174 ( 1.942 2.823 -5.314) 6.323 13.211 ( 2.663 0.152 -5.404) 6.026 13.451 ( 3.887 2.563 3.846) 6.039 13.491 ( 3.097 -1.407 4.102) 5.329 13.575 ( 2.994 3.177 -4.977) 6.620 13.641 ( 2.441 -2.979 -7.735) 8.641 13.837 ( 3.955 5.525 3.856) 7.812 13.905 ( 3.402 5.372 -0.225) 6.363 13.958 ( 3.314 -4.006 3.946) 6.527 14.053 ( 2.342 -6.555 -3.069) 7.607 14.310 ( 4.406 5.035 9.905) 11.953 14.441 ( 2.960 -7.266 8.521) 11.583 14.526 ( 3.115 4.629 -7.287) 9.178 14.631 ( 1.694 -4.842 -6.104) 7.973 14.663 ( 1.722 3.377 2.457) 4.517 14.745 ( 0.509 -3.395 4.583) 5.726 14.769 ( 1.676 6.093 -5.333) 8.269 14.892 ( 0.649 -5.073 -6.707) 8.434 15.755 ( -0.246 4.803 3.215) 5.785 15.827 ( -0.902 2.715 -2.827) 4.022 15.858 ( -1.344 -4.886 1.433) 5.266 15.893 ( -1.018 -3.507 -1.272) 3.867 16.107 ( -3.052 0.115 7.020) 7.655 16.115 ( -3.296 -0.445 6.243) 7.074 16.246 ( -3.135 0.659 -3.475) 4.726 16.259 ( -2.202 -0.640 -4.478) 5.031 16.393 ( 0.696 0.949 4.244) 4.404 16.438 ( 0.149 -2.723 5.259) 5.924 16.508 ( -3.879 4.858 -0.946) 6.288 16.543 ( -1.999 1.945 -4.308) 5.132 16.583 ( -3.460 5.096 -2.827) 6.777 16.618 ( -3.939 -1.012 -5.567) 6.894 16.688 ( -4.218 -4.498 0.070) 6.166 16.725 ( -3.762 -5.444 -2.860) 7.209 16.878 ( -1.391 4.333 5.517) 7.152 16.972 ( -1.831 -4.215 3.740) 5.925 16.976 ( -2.174 3.429 -1.818) 4.449 17.004 ( -0.594 -0.345 1.396) 1.556 17.008 ( -1.417 1.294 0.207) 1.930 17.033 ( 0.147 0.225 -0.191) 0.330 17.074 ( -1.063 -4.076 -1.495) 4.470 17.097 ( -1.202 -4.875 -2.310) 5.527 17.381 ( -1.339 0.697 1.342) 2.020 17.408 ( -0.581 -1.758 0.049) 1.853 17.430 ( -0.445 -1.023 -1.080) 1.553 17.440 ( 0.264 -1.863 -2.896) 3.453 17.653 ( 0.148 2.822 1.547) 3.221 17.661 ( -0.122 2.332 0.438) 2.376 17.706 ( -1.213 -1.688 0.729) 2.203 17.719 ( -1.175 -2.785 0.098) 3.024 17.857 ( -0.880 1.851 1.710) 2.669 17.893 ( -0.719 -1.406 0.830) 1.784 17.909 ( -1.155 0.761 -2.099) 2.514 17.933 ( -0.901 -1.293 -2.161) 2.674 18.149 ( -0.133 0.307 4.494) 4.507 18.181 ( 0.913 -2.661 3.899) 4.808 18.244 ( -0.643 -0.077 -3.142) 3.208 18.268 ( 0.317 -2.463 -3.122) 3.989 18.873 ( -2.033 2.894 1.037) 3.685 18.892 ( -2.307 2.945 -0.238) 3.749 18.908 ( -1.058 -0.089 0.863) 1.368 18.921 ( -1.714 0.479 -0.137) 1.785 18.983 ( -1.117 1.697 0.136) 2.036 18.998 ( -1.022 0.863 -1.061) 1.708 19.015 ( -0.579 -0.496 -0.533) 0.930 19.021 ( -0.805 -1.484 -0.839) 1.885 ======================= Grid point 145 (57/60) ======================= q-point: ( 0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 13.152 28.935 7.136) 32.575 3.502 ( 8.822 24.164 -13.059) 28.849 3.820 ( 10.984 -21.013 1.760) 23.776 3.878 ( 16.968 17.130 -0.627) 24.119 4.029 ( 5.763 -9.230 -3.745) 11.508 4.139 ( 13.746 19.976 -8.735) 25.774 4.450 ( 12.222 -12.896 10.451) 20.613 4.496 ( 11.175 -5.387 9.937) 15.895 4.703 ( 6.328 -2.416 7.541) 10.136 4.803 ( 8.954 -8.542 7.121) 14.278 4.873 ( 4.119 11.240 5.141) 13.028 5.022 ( 7.896 15.907 5.557) 18.608 5.067 ( 3.066 1.337 -6.923) 7.689 5.258 ( 6.446 2.158 -14.929) 16.403 5.274 ( 3.837 5.565 -4.170) 7.943 5.355 ( 7.039 -3.718 -1.134) 8.040 5.462 ( 4.136 -0.377 0.380) 4.171 5.606 ( -1.851 -8.643 0.956) 8.891 5.639 ( -1.218 -8.439 -3.610) 9.259 5.734 ( 2.013 -10.913 -5.810) 12.526 5.962 ( 1.546 8.140 4.531) 9.443 6.058 ( 1.978 6.750 -1.587) 7.210 6.145 ( -0.667 -8.527 3.445) 9.220 6.226 ( -2.578 -8.227 -2.291) 8.921 6.494 ( -1.716 3.834 11.077) 11.847 6.612 ( -3.155 -6.184 10.136) 12.286 6.813 ( 1.258 2.500 -15.263) 15.518 6.899 ( 1.292 -5.213 -14.067) 15.058 7.241 ( -10.199 10.573 8.146) 16.798 7.449 ( -14.467 8.039 -8.144) 18.446 7.470 ( -12.796 -9.631 6.079) 17.130 7.615 ( -15.345 -6.066 -4.816) 17.189 7.740 ( -5.979 -0.173 3.979) 7.184 7.749 ( -4.055 -1.321 3.416) 5.464 7.813 ( -4.763 -0.496 -0.554) 4.821 7.872 ( -5.540 -6.329 -5.739) 10.183 8.105 ( 0.711 8.031 11.861) 14.342 8.273 ( -9.499 5.683 -0.535) 11.082 8.284 ( -3.091 -7.559 7.497) 11.086 8.387 ( -9.354 -3.351 -2.318) 10.203 8.453 ( -0.696 4.303 -0.959) 4.463 8.499 ( 1.428 3.745 -2.987) 4.999 8.571 ( -0.345 -4.575 -0.063) 4.588 8.652 ( 5.622 -6.936 -3.828) 9.715 8.686 ( 4.137 2.655 3.706) 6.156 8.734 ( 4.171 0.686 0.937) 4.330 8.789 ( 3.164 -0.653 -0.236) 3.239 8.860 ( 3.147 -5.149 -4.108) 7.300 13.027 ( 4.200 4.543 4.085) 7.414 13.090 ( 4.858 -0.367 2.911) 5.675 13.129 ( 4.782 3.470 -1.184) 6.026 13.149 ( 5.428 3.514 1.174) 6.572 13.189 ( 6.033 -0.456 -2.371) 6.498 13.210 ( 5.347 -1.776 1.176) 5.756 13.229 ( 3.680 3.327 -4.523) 6.714 13.282 ( 4.439 -0.799 -4.022) 6.044 13.562 ( 7.492 2.452 2.640) 8.314 13.587 ( 6.890 0.203 2.643) 7.382 13.659 ( 5.596 2.959 -3.678) 7.322 13.718 ( 5.548 -2.237 -7.002) 9.210 13.939 ( 6.192 3.460 4.418) 8.357 13.990 ( 5.154 0.899 3.465) 6.275 14.047 ( 5.427 -0.106 0.810) 5.488 14.117 ( 4.024 -4.483 -2.797) 6.642 14.420 ( 6.279 3.880 8.293) 11.102 14.520 ( 4.805 -5.481 6.838) 9.995 14.603 ( 4.366 3.281 -5.925) 8.058 14.670 ( 1.925 -1.193 -2.865) 3.651 14.708 ( 2.700 -0.182 -0.060) 2.707 14.755 ( 0.351 -2.445 4.609) 5.229 14.810 ( 2.243 4.762 -5.925) 7.926 14.905 ( 0.532 -3.986 -6.978) 8.054 15.733 ( -2.455 3.775 3.287) 5.575 15.804 ( -1.755 1.154 -1.184) 2.411 15.814 ( -2.905 -2.037 0.446) 3.576 15.866 ( -1.856 -3.008 -2.329) 4.233 16.051 ( -2.074 0.840 6.288) 6.674 16.066 ( -0.963 -0.390 5.409) 5.507 16.170 ( -4.296 1.915 -3.165) 5.669 16.198 ( -3.260 -0.141 -5.066) 6.026 16.380 ( -2.279 0.164 3.074) 3.831 16.415 ( -3.810 -2.269 4.105) 6.043 16.442 ( -2.023 3.916 4.634) 6.395 16.483 ( -4.125 1.023 -2.167) 4.770 16.492 ( -5.526 1.396 -1.252) 5.836 16.542 ( -2.987 -3.315 -4.409) 6.273 16.604 ( -3.747 -1.823 -2.994) 5.132 16.645 ( -4.025 -3.775 -4.138) 6.898 16.834 ( -2.899 3.481 4.911) 6.681 16.917 ( -3.509 -0.910 0.863) 3.727 16.924 ( -2.860 0.241 -0.021) 2.870 16.968 ( -2.549 0.674 0.581) 2.700 16.980 ( -1.948 -0.055 0.533) 2.021 17.017 ( -2.106 -1.165 0.256) 2.420 17.035 ( -2.500 -3.740 -0.346) 4.512 17.064 ( -2.486 -4.029 -0.713) 4.787 17.346 ( -2.198 2.015 1.194) 3.211 17.388 ( -1.317 -0.967 -1.351) 2.120 17.404 ( -2.302 -0.521 -1.128) 2.616 17.434 ( -0.938 -2.604 -3.464) 4.434 17.626 ( -3.046 0.689 2.369) 3.920 17.638 ( -2.823 -0.039 1.755) 3.324 17.678 ( -1.828 -0.185 -0.243) 1.854 17.699 ( -0.898 -1.812 -1.248) 2.376 17.845 ( -0.192 1.984 1.353) 2.409 17.875 ( -0.491 -0.068 -0.211) 0.539 17.898 ( 0.076 -0.343 -0.978) 1.039 17.923 ( 0.048 -1.696 -1.997) 2.621 18.142 ( -0.660 0.855 3.934) 4.079 18.187 ( -0.580 -3.355 3.422) 4.828 18.225 ( -1.348 0.365 -2.838) 3.163 18.261 ( -1.229 -3.069 -2.593) 4.201 18.831 ( -2.001 3.513 1.065) 4.181 18.848 ( -2.011 3.067 0.061) 3.668 18.875 ( -2.393 0.186 0.709) 2.503 18.878 ( -1.837 -0.552 0.585) 2.006 18.957 ( -1.629 2.037 0.223) 2.618 18.979 ( -1.005 1.317 -1.410) 2.175 18.992 ( -1.782 -0.709 -0.772) 2.068 18.995 ( -1.623 -0.726 -0.908) 1.996 ======================= Grid point 146 (58/60) ======================= q-point: ( 0.30 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 16.805 24.411 3.191) 29.808 3.717 ( 12.526 19.193 -10.589) 25.247 4.026 ( 9.360 -19.206 -0.851) 21.382 4.084 ( 5.824 -14.674 -6.230) 16.972 4.275 ( 16.225 22.396 6.093) 28.319 4.425 ( 14.900 22.349 -5.576) 27.433 4.655 ( 9.111 -1.591 13.514) 16.376 4.691 ( 9.281 0.396 9.904) 13.579 4.895 ( 11.591 -14.266 -2.044) 18.494 4.968 ( 6.577 -7.359 5.937) 11.518 4.996 ( 8.728 -0.762 -1.979) 8.982 5.097 ( 1.347 2.257 -7.727) 8.161 5.222 ( 9.872 7.282 6.255) 13.769 5.357 ( 4.599 -0.183 2.160) 5.084 5.412 ( 8.415 3.008 -7.003) 11.353 5.456 ( 3.089 -3.878 6.726) 8.356 5.564 ( 3.603 -4.596 -4.857) 7.595 5.590 ( 3.071 -3.364 4.548) 6.437 5.691 ( 7.779 2.605 -6.861) 10.694 5.797 ( 4.409 -5.520 -4.415) 8.331 5.971 ( -1.206 5.803 0.523) 5.950 6.026 ( -4.253 2.209 -3.728) 6.072 6.096 ( -9.633 -2.098 -0.201) 9.861 6.128 ( -2.864 -4.247 -2.480) 5.692 6.515 ( 3.661 0.786 13.604) 14.110 6.580 ( 1.176 -4.670 14.370) 15.155 6.852 ( 2.477 3.618 -14.007) 14.677 6.939 ( 2.230 -4.296 -16.035) 16.750 7.037 ( -9.675 6.696 4.490) 12.594 7.162 ( -13.583 5.099 -5.528) 15.526 7.217 ( -12.897 -9.971 3.333) 16.640 7.297 ( -16.363 -7.545 -3.167) 18.295 7.568 ( -10.121 5.315 0.857) 11.464 7.595 ( -12.563 5.322 -1.928) 13.779 7.727 ( -6.367 -9.307 0.373) 11.283 7.761 ( -7.670 -10.371 -3.262) 13.305 8.034 ( -7.433 2.076 10.518) 13.046 8.069 ( -12.594 -1.466 6.308) 14.162 8.171 ( -3.020 1.844 0.841) 3.637 8.199 ( -6.365 -0.957 -3.296) 7.231 8.438 ( 0.986 5.781 1.530) 6.061 8.575 ( 3.283 -6.170 6.303) 9.412 8.627 ( 6.294 6.257 -7.508) 11.625 8.733 ( 2.267 -1.875 1.423) 3.268 8.777 ( 3.608 2.212 3.864) 5.731 8.821 ( 4.551 -2.266 -2.220) 5.547 8.869 ( 4.338 1.852 -1.167) 4.859 8.924 ( 2.735 -2.766 -3.855) 5.477 13.118 ( 4.991 4.331 4.389) 7.933 13.187 ( 4.725 -2.115 3.942) 6.507 13.219 ( 4.126 4.605 0.664) 6.219 13.247 ( 4.642 3.120 -2.185) 6.005 13.285 ( 3.068 -1.189 2.343) 4.039 13.302 ( 4.234 -1.078 -4.686) 6.407 13.316 ( 4.757 2.061 -3.319) 6.156 13.369 ( 3.930 -1.484 -3.981) 5.787 13.739 ( 10.340 2.811 0.992) 10.761 13.752 ( 9.449 2.169 1.879) 9.875 13.796 ( 8.475 2.324 -1.831) 8.977 13.854 ( 8.164 -2.208 -4.951) 9.800 14.062 ( 5.886 1.956 4.977) 7.953 14.098 ( 5.656 -0.738 4.280) 7.131 14.155 ( 5.316 1.137 -0.335) 5.447 14.195 ( 3.581 -2.274 -2.463) 4.905 14.528 ( 4.134 3.534 6.545) 8.510 14.609 ( 3.725 -4.113 4.774) 7.320 14.674 ( 1.998 1.867 -4.458) 5.230 14.700 ( 1.566 0.249 -0.092) 1.588 14.741 ( -0.178 -0.347 1.412) 1.465 14.771 ( 1.983 -2.488 1.059) 3.353 14.847 ( 1.266 3.115 -6.701) 7.497 14.905 ( -0.770 -2.319 -7.036) 7.448 15.672 ( -2.924 3.296 3.875) 5.867 15.747 ( -2.995 -3.688 2.531) 5.383 15.758 ( -3.367 2.329 -3.179) 5.183 15.815 ( -3.515 -2.785 -3.133) 5.470 16.051 ( 1.778 1.832 3.699) 4.494 16.078 ( 2.178 -0.340 4.039) 4.602 16.109 ( -1.093 3.757 -1.024) 4.044 16.165 ( -0.136 -0.857 -3.171) 3.288 16.308 ( -4.510 -0.210 1.910) 4.903 16.334 ( -4.184 -1.393 1.508) 4.660 16.352 ( -5.112 -1.285 1.415) 5.458 16.381 ( -5.358 -2.568 0.909) 6.011 16.440 ( -1.311 2.204 1.248) 2.852 16.502 ( -1.543 -3.034 0.005) 3.404 16.540 ( -3.596 0.464 -3.412) 4.979 16.580 ( -2.677 -2.459 -3.740) 5.215 16.778 ( -2.276 3.455 3.879) 5.671 16.850 ( -3.117 0.667 -0.129) 3.190 16.871 ( -2.336 -0.668 0.036) 2.430 16.913 ( -3.031 0.634 -0.162) 3.101 16.937 ( -2.223 -0.852 0.252) 2.394 16.956 ( -3.659 -2.401 0.714) 4.435 16.981 ( -3.209 -3.255 0.391) 4.588 17.001 ( -3.814 -3.472 -0.273) 5.165 17.301 ( -2.026 3.054 1.041) 3.810 17.347 ( -3.029 1.286 -0.713) 3.367 17.370 ( -0.441 -1.581 -1.467) 2.201 17.409 ( -1.330 -3.027 -2.779) 4.319 17.549 ( -4.715 -0.650 2.450) 5.353 17.555 ( -5.139 -0.937 2.649) 5.857 17.626 ( -3.770 0.386 -2.570) 4.579 17.651 ( -4.192 -1.885 -4.042) 6.121 17.858 ( 1.590 1.166 2.178) 2.938 17.885 ( 1.208 -0.581 0.923) 1.628 17.904 ( 0.461 -0.187 -0.303) 0.582 17.933 ( 0.798 -1.991 -1.484) 2.608 18.125 ( -1.091 0.636 2.699) 2.980 18.159 ( -2.050 -2.545 2.305) 3.999 18.189 ( -2.355 0.017 -2.321) 3.306 18.216 ( -3.251 -2.502 -2.118) 4.617 18.802 ( -0.932 4.053 1.325) 4.365 18.819 ( -0.958 3.148 0.706) 3.365 18.839 ( -1.073 1.492 0.795) 2.003 18.851 ( -0.928 -0.239 0.435) 1.052 18.923 ( -1.690 1.460 0.562) 2.303 18.954 ( -1.849 -0.566 -1.128) 2.238 18.959 ( -1.093 0.429 -1.517) 1.919 18.961 ( -1.760 -0.538 -1.182) 2.187 ======================= Grid point 147 (59/60) ======================= q-point: ( 0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 14.160 16.684 0.275) 21.885 3.956 ( 11.183 11.832 -7.327) 17.853 4.143 ( 1.479 -7.391 -2.743) 8.021 4.155 ( 1.503 -8.020 -3.302) 8.802 4.570 ( 13.669 17.043 7.720) 23.171 4.699 ( 12.741 15.079 -0.132) 19.742 4.793 ( 4.727 1.864 11.390) 12.472 4.900 ( 11.116 1.234 2.040) 11.369 5.040 ( -0.411 -5.825 3.806) 6.971 5.077 ( 5.184 -1.538 -4.711) 7.171 5.134 ( 5.575 -3.455 -6.475) 9.216 5.160 ( 6.302 -5.206 -2.633) 8.588 5.362 ( 4.621 2.225 3.503) 6.211 5.408 ( 2.900 -1.325 5.333) 6.213 5.495 ( 0.293 1.436 -0.110) 1.470 5.525 ( 0.777 -2.043 -1.155) 2.472 5.653 ( 0.985 1.165 0.284) 1.552 5.689 ( 4.016 -0.956 4.386) 6.023 5.778 ( -3.710 0.275 -2.621) 4.551 5.867 ( -7.482 -5.744 -5.313) 10.826 5.899 ( 4.608 1.513 3.453) 5.954 5.945 ( 3.194 -3.518 4.232) 6.363 6.051 ( 5.503 -0.031 -8.435) 10.072 6.079 ( 1.565 -2.605 -7.437) 8.034 6.624 ( 6.742 1.823 13.402) 15.112 6.645 ( 3.538 0.612 12.184) 12.702 6.816 ( -7.986 3.115 -1.584) 8.717 6.865 ( -2.058 -0.487 -1.242) 2.452 6.941 ( -7.223 -4.763 -0.928) 8.701 6.968 ( -11.993 -6.795 0.791) 13.807 7.054 ( -0.182 -0.722 -8.853) 8.884 7.109 ( 4.321 -4.303 -12.544) 13.948 7.282 ( -15.955 7.512 3.362) 17.952 7.387 ( -8.994 4.981 -3.725) 10.935 7.454 ( -20.245 -7.384 4.071) 21.931 7.562 ( -10.430 -10.782 -3.792) 15.473 7.952 ( -1.134 0.234 5.430) 5.552 7.971 ( 0.760 -1.862 -0.077) 2.013 8.061 ( -6.033 2.153 -6.683) 9.257 8.114 ( -4.297 -2.246 -6.775) 8.331 8.513 ( 5.847 7.334 10.015) 13.722 8.652 ( 4.337 -5.790 10.206) 12.510 8.718 ( -0.932 3.338 5.649) 6.628 8.736 ( 0.907 2.080 1.694) 2.832 8.834 ( 3.142 3.157 -0.144) 4.456 8.904 ( 3.566 -2.626 -5.853) 7.340 8.934 ( 1.498 1.819 -3.665) 4.357 8.953 ( 0.525 -0.262 -4.877) 4.913 13.212 ( 4.361 3.378 4.242) 6.959 13.262 ( 2.787 -1.147 3.683) 4.758 13.280 ( 2.044 1.863 3.935) 4.810 13.311 ( 0.383 -0.687 3.235) 3.330 13.336 ( 3.621 2.898 -4.703) 6.605 13.367 ( 2.348 1.063 -4.560) 5.238 13.390 ( 2.620 0.205 -4.575) 5.276 13.420 ( 1.161 -1.488 -4.930) 5.279 13.932 ( 8.551 3.386 1.852) 9.382 13.944 ( 9.780 2.722 0.350) 10.157 13.970 ( 8.299 1.200 0.335) 8.392 14.015 ( 7.395 -1.895 -2.158) 7.933 14.152 ( 3.169 2.268 4.158) 5.699 14.191 ( 3.098 -0.865 2.872) 4.312 14.232 ( 1.627 0.515 0.080) 1.708 14.242 ( 1.320 -0.505 -2.320) 2.716 14.578 ( 1.662 3.986 5.260) 6.805 14.654 ( 0.671 -1.637 3.138) 3.602 14.671 ( -1.022 0.001 1.438) 1.764 14.704 ( -1.422 -1.492 0.799) 2.211 14.758 ( 1.970 1.748 -2.022) 3.321 14.803 ( 1.127 -2.294 -2.704) 3.721 14.844 ( -1.779 1.509 -6.700) 7.094 14.874 ( -2.204 -1.276 -6.313) 6.807 15.643 ( 0.073 2.613 3.107) 4.061 15.696 ( -2.325 1.521 -0.987) 2.948 15.704 ( -1.551 -2.526 1.250) 3.217 15.742 ( -3.496 -2.132 -1.773) 4.462 16.093 ( 1.878 1.213 1.740) 2.833 16.111 ( 0.553 1.117 0.193) 1.262 16.138 ( 2.118 -1.678 1.431) 3.058 16.164 ( -0.854 -3.190 -1.488) 3.622 16.252 ( -1.659 0.791 0.350) 1.871 16.255 ( 0.606 2.187 0.618) 2.352 16.313 ( -0.076 -3.943 2.674) 4.765 16.328 ( 1.329 -2.705 0.478) 3.051 16.407 ( -2.057 2.280 1.215) 3.302 16.447 ( -5.540 1.511 0.704) 5.786 16.468 ( -2.785 -2.329 0.423) 3.655 16.514 ( -4.515 -3.252 -1.053) 5.663 16.766 ( 1.208 2.988 1.498) 3.554 16.806 ( -1.097 1.873 -0.626) 2.259 16.843 ( -0.450 -1.378 -0.504) 1.535 16.855 ( -2.708 1.461 1.239) 3.317 16.889 ( -2.640 -3.194 -1.898) 4.558 16.899 ( -2.043 -1.123 0.201) 2.340 16.903 ( -4.131 -1.667 -0.068) 4.456 16.933 ( -3.115 -2.810 -1.047) 4.324 17.282 ( 0.231 3.285 2.389) 4.068 17.303 ( -1.086 1.996 2.439) 3.334 17.380 ( 1.454 -1.241 -2.385) 3.057 17.396 ( 0.210 -2.914 -0.869) 3.047 17.450 ( -4.731 -1.351 1.453) 5.130 17.458 ( -4.428 -1.379 0.793) 4.705 17.537 ( -4.931 -0.760 -3.431) 6.055 17.554 ( -5.097 -1.887 -4.285) 6.921 17.898 ( 2.223 -0.308 1.300) 2.593 17.909 ( 0.953 -0.168 0.932) 1.343 17.915 ( 0.599 -0.746 0.930) 1.334 17.945 ( 0.296 -2.401 -0.868) 2.570 18.104 ( -0.881 0.218 1.137) 1.455 18.120 ( -1.632 -1.197 0.726) 2.150 18.138 ( -2.704 -0.347 -1.308) 3.024 18.149 ( -3.090 -1.304 -1.389) 3.630 18.794 ( 0.008 4.375 1.713) 4.699 18.807 ( -0.395 3.694 1.862) 4.156 18.831 ( 0.066 2.295 -0.016) 2.296 18.841 ( -0.198 0.750 0.280) 0.824 18.898 ( -0.680 0.606 0.500) 1.039 18.921 ( -1.526 0.155 -1.034) 1.850 18.933 ( -0.839 -1.416 -1.314) 2.106 18.940 ( -0.843 -0.796 -1.771) 2.117 ======================= Grid point 148 (60/60) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( -7.001 5.836 -1.282) 9.204 4.082 ( 7.001 5.836 -1.282) 9.204 4.123 ( -5.178 1.674 -4.821) 7.270 4.123 ( 5.178 1.674 -4.821) 7.270 4.776 ( -5.988 11.761 9.251) 16.117 4.776 ( 5.988 11.761 9.251) 16.117 4.919 ( -7.638 2.042 0.404) 7.916 4.919 ( 7.638 2.042 0.404) 7.916 5.110 ( -3.565 1.152 0.277) 3.756 5.110 ( 3.565 1.152 0.277) 3.756 5.203 ( -1.987 -3.160 -4.091) 5.538 5.203 ( 1.987 -3.160 -4.091) 5.538 5.452 ( -3.344 2.238 3.783) 5.523 5.452 ( 3.344 2.238 3.783) 5.523 5.491 ( -4.038 -0.027 2.744) 4.882 5.491 ( 4.038 -0.027 2.744) 4.882 5.664 ( -2.718 -2.946 -2.741) 4.856 5.664 ( 2.718 -2.946 -2.741) 4.856 5.699 ( -2.960 -4.671 -3.623) 6.612 5.699 ( 2.960 -4.671 -3.623) 6.612 6.070 ( -5.853 -0.705 0.141) 5.897 6.070 ( 5.853 -0.705 0.141) 5.897 6.092 ( -3.492 -2.563 -1.489) 4.580 6.092 ( 3.492 -2.563 -1.489) 4.580 6.694 ( -1.513 0.662 2.025) 2.614 6.694 ( 1.513 0.662 2.025) 2.614 6.742 ( -6.731 -4.040 -2.228) 8.160 6.742 ( 6.731 -4.040 -2.228) 8.160 6.951 ( -11.350 0.759 8.817) 14.392 6.951 ( 11.350 0.759 8.817) 14.392 7.013 ( -11.276 -4.923 8.767) 15.108 7.013 ( 11.276 -4.923 8.767) 15.108 7.220 ( -3.279 5.589 -5.943) 8.793 7.220 ( 3.279 5.589 -5.943) 8.793 7.346 ( -10.162 -5.665 -11.101) 16.081 7.346 ( 10.162 -5.665 -11.101) 16.081 7.969 ( -2.711 1.321 -1.439) 3.341 7.969 ( 2.711 1.321 -1.439) 3.341 8.029 ( -3.872 -3.885 -6.015) 8.140 8.029 ( 3.872 -3.885 -6.015) 8.140 8.633 ( -5.887 5.808 11.328) 14.026 8.633 ( 5.887 5.808 11.328) 14.026 8.725 ( -2.676 -2.794 8.648) 9.474 8.725 ( 2.676 -2.794 8.648) 9.474 8.904 ( -3.218 3.601 -5.937) 7.653 8.904 ( 3.218 3.601 -5.937) 7.653 8.955 ( -1.034 -1.054 -5.421) 5.619 8.955 ( 1.034 -1.054 -5.421) 5.619 13.278 ( -1.928 1.804 3.780) 4.611 13.278 ( 1.928 1.804 3.780) 4.611 13.302 ( -0.687 -0.502 4.316) 4.399 13.302 ( 0.687 -0.502 4.316) 4.399 13.385 ( -0.869 2.383 -4.887) 5.506 13.385 ( 0.869 2.383 -4.887) 5.506 13.420 ( -0.785 -0.991 -5.251) 5.401 13.420 ( 0.785 -0.991 -5.251) 5.401 14.050 ( -1.915 2.544 2.417) 3.998 14.050 ( 1.915 2.544 2.417) 3.998 14.076 ( -2.200 0.368 0.644) 2.321 14.076 ( 2.200 0.368 0.644) 2.321 14.199 ( -1.977 2.270 1.489) 3.359 14.199 ( 1.977 2.270 1.489) 3.359 14.241 ( -1.363 -1.442 -1.473) 2.471 14.241 ( 1.363 -1.442 -1.473) 2.471 14.618 ( -2.570 3.441 4.432) 6.172 14.618 ( 2.570 3.441 4.432) 6.172 14.681 ( -0.938 -2.357 1.624) 3.012 14.681 ( 0.938 -2.357 1.624) 3.012 14.795 ( -2.078 1.380 -4.620) 5.251 14.795 ( 2.078 1.380 -4.620) 5.251 14.832 ( -1.735 -1.953 -5.507) 6.095 14.832 ( 1.735 -1.953 -5.507) 6.095 15.665 ( -1.531 1.310 1.794) 2.698 15.665 ( 1.531 1.310 1.794) 2.698 15.694 ( -0.882 -1.351 -0.487) 1.685 15.694 ( 0.882 -1.351 -0.487) 1.685 16.110 ( -0.332 -0.479 0.794) 0.985 16.110 ( 0.332 -0.479 0.794) 0.985 16.144 ( -0.561 -3.544 -1.818) 4.023 16.144 ( 0.561 -3.544 -1.818) 4.023 16.302 ( -3.968 2.054 2.579) 5.159 16.302 ( 3.968 2.054 2.579) 5.159 16.326 ( -5.375 1.252 1.707) 5.777 16.326 ( 5.375 1.252 1.707) 5.777 16.391 ( -4.315 -1.535 1.064) 4.702 16.391 ( 4.315 -1.535 1.064) 4.702 16.420 ( -4.238 -3.018 -0.004) 5.202 16.420 ( 4.238 -3.018 -0.004) 5.202 16.807 ( -1.588 1.614 0.650) 2.356 16.807 ( 1.588 1.614 0.650) 2.356 16.821 ( -2.480 0.840 0.380) 2.646 16.821 ( 2.480 0.840 0.380) 2.646 16.860 ( -1.098 -1.085 -0.974) 1.825 16.860 ( 1.098 -1.085 -0.974) 1.825 16.884 ( -1.271 -2.438 -2.172) 3.504 16.884 ( 1.271 -2.438 -2.172) 3.504 17.297 ( -0.419 3.596 4.524) 5.794 17.297 ( 0.419 3.596 4.524) 5.794 17.390 ( -0.447 -4.831 3.008) 5.708 17.390 ( 0.447 -4.831 3.008) 5.708 17.420 ( -1.349 1.901 -5.114) 5.620 17.420 ( 1.349 1.901 -5.114) 5.620 17.478 ( -1.228 -3.255 -3.587) 4.997 17.478 ( 1.228 -3.255 -3.587) 4.997 17.919 ( -0.091 -0.359 1.258) 1.312 17.919 ( 0.091 -0.359 1.258) 1.312 17.937 ( -1.291 -1.947 -0.199) 2.344 17.937 ( 1.291 -1.947 -0.199) 2.344 18.100 ( -0.788 0.108 0.119) 0.805 18.100 ( 0.788 0.108 0.119) 0.805 18.110 ( -0.831 -0.907 -0.683) 1.407 18.110 ( 0.831 -0.907 -0.683) 1.407 18.799 ( -0.422 4.289 2.137) 4.811 18.799 ( 0.422 4.289 2.137) 4.811 18.836 ( -0.336 2.041 -0.196) 2.078 18.836 ( 0.336 2.041 -0.196) 2.078 18.899 ( -0.682 0.004 -0.056) 0.685 18.899 ( 0.682 0.004 -0.056) 0.685 18.928 ( -0.271 -1.465 -1.761) 2.307 18.928 ( 0.271 -1.465 -1.761) 2.307 =================== 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 3/32400 10.0 28806.397 27677.583 18594.561 0.000 0.000 0.000 3/32400 20.0 6665.172 6991.253 3900.629 0.000 0.000 0.000 3/32400 30.0 2924.175 2671.537 1742.936 0.000 0.000 0.000 3/32400 40.0 1574.066 1349.518 942.676 0.000 0.000 0.000 3/32400 50.0 984.472 814.411 589.019 0.000 0.000 0.000 3/32400 60.0 682.783 551.307 407.755 0.000 0.000 0.000 3/32400 70.0 506.502 401.560 302.097 0.000 0.000 0.000 3/32400 80.0 392.154 306.471 233.756 0.000 0.000 0.000 3/32400 90.0 312.402 241.340 186.168 0.000 0.000 0.000 3/32400 100.0 254.130 194.451 151.405 0.000 0.000 0.000 3/32400 110.0 210.271 159.577 125.223 0.000 0.000 0.000 3/32400 120.0 176.591 133.055 105.100 0.000 0.000 0.000 3/32400 130.0 150.333 112.543 89.399 0.000 0.000 0.000 3/32400 140.0 129.595 96.457 76.995 0.000 0.000 0.000 3/32400 150.0 113.024 83.683 67.083 0.000 0.000 0.000 3/32400 160.0 99.630 73.417 59.073 0.000 0.000 0.000 3/32400 170.0 88.685 65.071 52.532 0.000 0.000 0.000 3/32400 180.0 79.645 58.212 47.134 0.000 0.000 0.000 3/32400 190.0 72.104 52.515 42.633 0.000 0.000 0.000 3/32400 200.0 65.750 47.735 38.845 0.000 0.000 0.000 3/32400 210.0 60.348 43.687 35.627 0.000 0.000 0.000 3/32400 220.0 55.716 40.228 32.870 0.000 0.000 0.000 3/32400 230.0 51.710 37.248 30.488 0.000 0.000 0.000 3/32400 240.0 48.222 34.660 28.415 0.000 0.000 0.000 3/32400 250.0 45.161 32.396 26.598 0.000 0.000 0.000 3/32400 260.0 42.458 30.403 24.995 0.000 0.000 0.000 3/32400 270.0 40.057 28.637 23.572 0.000 0.000 0.000 3/32400 280.0 37.912 27.063 22.301 0.000 0.000 0.000 3/32400 290.0 35.986 25.652 21.161 0.000 0.000 0.000 3/32400 300.0 34.247 24.382 20.132 0.000 0.000 0.000 3/32400 310.0 32.671 23.233 19.200 0.000 0.000 0.000 3/32400 320.0 31.236 22.189 18.352 0.000 0.000 0.000 3/32400 330.0 29.925 21.237 17.577 0.000 0.000 0.000 3/32400 340.0 28.722 20.365 16.867 0.000 0.000 0.000 3/32400 350.0 27.614 19.563 16.213 0.000 0.000 0.000 3/32400 360.0 26.592 18.824 15.610 0.000 0.000 0.000 3/32400 370.0 25.645 18.140 15.051 0.000 0.000 0.000 3/32400 380.0 24.765 17.507 14.533 0.000 0.000 0.000 3/32400 390.0 23.946 16.917 14.050 0.000 0.000 0.000 3/32400 400.0 23.181 16.367 13.600 0.000 0.000 0.000 3/32400 410.0 22.466 15.854 13.178 0.000 0.000 0.000 3/32400 420.0 21.795 15.372 12.783 0.000 0.000 0.000 3/32400 430.0 21.165 14.921 12.412 0.000 0.000 0.000 3/32400 440.0 20.571 14.496 12.063 0.000 0.000 0.000 3/32400 450.0 20.012 14.096 11.734 0.000 0.000 0.000 3/32400 460.0 19.483 13.718 11.423 0.000 0.000 0.000 3/32400 470.0 18.983 13.361 11.128 0.000 0.000 0.000 3/32400 480.0 18.508 13.022 10.850 0.000 0.000 0.000 3/32400 490.0 18.058 12.702 10.585 0.000 0.000 0.000 3/32400 500.0 17.630 12.397 10.334 0.000 0.000 0.000 3/32400 510.0 17.223 12.107 10.094 0.000 0.000 0.000 3/32400 520.0 16.835 11.831 9.866 0.000 0.000 0.000 3/32400 530.0 16.465 11.568 9.649 0.000 0.000 0.000 3/32400 540.0 16.111 11.317 9.441 0.000 0.000 0.000 3/32400 550.0 15.773 11.076 9.242 0.000 0.000 0.000 3/32400 560.0 15.449 10.847 9.052 0.000 0.000 0.000 3/32400 570.0 15.139 10.627 8.870 0.000 0.000 0.000 3/32400 580.0 14.842 10.416 8.695 0.000 0.000 0.000 3/32400 590.0 14.556 10.214 8.528 0.000 0.000 0.000 3/32400 600.0 14.282 10.019 8.367 0.000 0.000 0.000 3/32400 610.0 14.018 9.833 8.212 0.000 0.000 0.000 3/32400 620.0 13.764 9.653 8.063 0.000 0.000 0.000 3/32400 630.0 13.520 9.480 7.919 0.000 0.000 0.000 3/32400 640.0 13.284 9.313 7.781 0.000 0.000 0.000 3/32400 650.0 13.057 9.153 7.648 0.000 0.000 0.000 3/32400 660.0 12.838 8.998 7.519 0.000 0.000 0.000 3/32400 670.0 12.626 8.848 7.395 0.000 0.000 0.000 3/32400 680.0 12.421 8.703 7.275 0.000 0.000 0.000 3/32400 690.0 12.223 8.564 7.159 0.000 0.000 0.000 3/32400 700.0 12.031 8.428 7.046 0.000 0.000 0.000 3/32400 710.0 11.846 8.298 6.937 0.000 0.000 0.000 3/32400 720.0 11.666 8.171 6.832 0.000 0.000 0.000 3/32400 730.0 11.492 8.048 6.730 0.000 0.000 0.000 3/32400 740.0 11.323 7.929 6.631 0.000 0.000 0.000 3/32400 750.0 11.159 7.814 6.535 0.000 0.000 0.000 3/32400 760.0 11.000 7.702 6.442 0.000 0.000 0.000 3/32400 770.0 10.846 7.593 6.351 0.000 0.000 0.000 3/32400 780.0 10.696 7.487 6.263 0.000 0.000 0.000 3/32400 790.0 10.550 7.385 6.178 0.000 0.000 0.000 3/32400 800.0 10.409 7.285 6.095 0.000 0.000 0.000 3/32400 810.0 10.271 7.188 6.014 0.000 0.000 0.000 3/32400 820.0 10.136 7.093 5.935 0.000 0.000 0.000 3/32400 830.0 10.006 7.002 5.859 0.000 0.000 0.000 3/32400 840.0 9.879 6.912 5.784 0.000 0.000 0.000 3/32400 850.0 9.755 6.825 5.711 0.000 0.000 0.000 3/32400 860.0 9.634 6.740 5.641 0.000 0.000 0.000 3/32400 870.0 9.516 6.657 5.572 0.000 0.000 0.000 3/32400 880.0 9.401 6.576 5.504 0.000 0.000 0.000 3/32400 890.0 9.289 6.498 5.439 0.000 0.000 0.000 3/32400 900.0 9.180 6.421 5.375 0.000 0.000 0.000 3/32400 910.0 9.073 6.346 5.312 0.000 0.000 0.000 3/32400 920.0 8.969 6.273 5.251 0.000 0.000 0.000 3/32400 930.0 8.867 6.201 5.191 0.000 0.000 0.000 3/32400 940.0 8.768 6.131 5.133 0.000 0.000 0.000 3/32400 950.0 8.670 6.063 5.076 0.000 0.000 0.000 3/32400 960.0 8.575 5.996 5.020 0.000 0.000 0.000 3/32400 970.0 8.482 5.931 4.966 0.000 0.000 0.000 3/32400 980.0 8.392 5.867 4.913 0.000 0.000 0.000 3/32400 990.0 8.303 5.805 4.860 0.000 0.000 0.000 3/32400 1000.0 8.216 5.744 4.810 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1093.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:29:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|