----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:31:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): *1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 *5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 *9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 *13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 *17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 *21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 *25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 *29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 *33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 *37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 *41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 *45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 *49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 *53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 *57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 *61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 *65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 *69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 *73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 *77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): *1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 > 1 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 > 2 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 > 3 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 > 4 *5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 > 5 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 > 6 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 > 7 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 > 8 *9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 > 9 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 > 10 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 > 11 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 > 12 *13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 > 13 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 > 14 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 > 15 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 > 16 *17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 > 17 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 > 18 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 > 19 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 > 20 *21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 > 21 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 > 22 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 > 23 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 > 24 *25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 > 25 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 > 26 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 > 27 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 > 28 *29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 > 29 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 > 30 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 > 31 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 > 32 *33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 > 33 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 > 34 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 > 35 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 > 36 *37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 > 37 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 > 38 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 > 39 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 > 40 *41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 > 41 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 > 42 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 > 43 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 > 44 *45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 > 45 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 > 46 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 > 47 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 > 48 *49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 > 49 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 > 50 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 > 51 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 > 52 *53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 > 53 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 > 54 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 > 55 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 > 56 *57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 > 57 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 > 58 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 > 59 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 > 60 *61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 > 61 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 > 62 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 > 63 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 > 64 *65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 > 65 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 > 66 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 > 67 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 > 68 *69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 > 69 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 > 70 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 > 71 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 > 72 *73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 > 73 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 > 74 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 > 75 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 > 76 *77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 > 77 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 > 78 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 > 79 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): *1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 > 1 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 > 2 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 > 3 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 > 4 *5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 > 5 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 > 6 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 > 7 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 > 8 *9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 > 9 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 > 10 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 > 11 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 > 12 *13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 > 13 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 > 14 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 > 15 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 > 16 *17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 > 17 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 > 18 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 > 19 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 > 20 *21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 > 21 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 > 22 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 > 23 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 > 24 *25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 > 25 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 > 26 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 > 27 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 > 28 *29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 > 29 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 > 30 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 > 31 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 > 32 *33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 > 33 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 > 34 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 > 35 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 > 36 *37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 > 37 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 > 38 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 > 39 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 > 40 *41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 > 41 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 > 42 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 > 43 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 > 44 *45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 > 45 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 > 46 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 > 47 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 > 48 *49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 > 49 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 > 50 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 > 51 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 > 52 *53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 > 53 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 > 54 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 > 55 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 > 56 *57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 > 57 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 > 58 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 > 59 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 > 60 *61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 > 61 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 > 62 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 > 63 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 > 64 *65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 > 65 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 > 66 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 > 67 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 > 68 *69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 > 69 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 > 70 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 > 71 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 > 72 *73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 > 73 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 > 74 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 > 75 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 > 76 *77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 > 77 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 > 78 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 > 79 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0953509 0.0000000 0.0292896 0.0000000 7.8517281 0.0000000 0.0293127 0.0000000 7.6155231 -------------------------- Born effective charges -------------------------- 1 B 2.7903903 0.1091274 -0.1822024 -0.0469999 0.3615363 -0.9861071 0.0324275 -1.2166852 2.0641987 2 B 2.7903903 -0.1091274 -0.1822024 0.0469999 0.3615363 0.9861071 0.0324275 1.2166852 2.0641987 3 B 2.7903903 0.1091274 -0.1822024 -0.0469999 0.3615363 -0.9861071 0.0324275 -1.2166852 2.0641987 4 B 2.7903903 -0.1091274 -0.1822024 0.0469999 0.3615363 0.9861071 0.0324275 1.2166852 2.0641987 5 B 1.7997128 -0.9699297 0.0006145 -0.8541223 2.0909740 -0.0280263 -0.0169172 -0.0468824 2.3838257 6 B 1.7997128 0.9699297 0.0006145 0.8541223 2.0909740 0.0280263 -0.0169172 0.0468824 2.3838257 7 B 1.7997128 -0.9699297 0.0006145 -0.8541223 2.0909740 -0.0280263 -0.0169172 -0.0468824 2.3838257 8 B 1.7997128 0.9699297 0.0006145 0.8541223 2.0909740 0.0280263 -0.0169172 0.0468824 2.3838257 9 B 2.8500246 -0.1001320 0.2337468 0.0583493 0.3612779 -0.8318206 -0.0016051 -1.1085182 2.1491267 10 B 2.8500246 0.1001320 0.2337468 -0.0583493 0.3612779 0.8318206 -0.0016051 1.1085182 2.1491267 11 B 2.8500246 -0.1001320 0.2337468 0.0583493 0.3612779 -0.8318206 -0.0016051 -1.1085182 2.1491267 12 B 2.8500246 0.1001320 0.2337468 -0.0583493 0.3612779 0.8318206 -0.0016051 1.1085182 2.1491267 13 B 2.6222851 0.0279313 -0.0355311 0.2886452 2.3215439 -0.0044388 -0.0574902 -0.0226648 -0.5149460 14 B 2.6222851 -0.0279313 -0.0355311 -0.2886452 2.3215439 0.0044388 -0.0574902 0.0226648 -0.5149460 15 B 2.6222851 0.0279313 -0.0355311 0.2886452 2.3215439 -0.0044388 -0.0574902 -0.0226648 -0.5149460 16 B 2.6222851 -0.0279313 -0.0355311 -0.2886452 2.3215439 0.0044388 -0.0574902 0.0226648 -0.5149460 17 N -3.4587196 -0.2469020 0.5817317 0.0563328 -2.6118255 0.3726390 0.6619093 0.8007819 -3.2387422 18 N -3.4587196 0.2469020 0.5817317 -0.0563328 -2.6118255 -0.3726390 0.6619093 -0.8007819 -3.2387422 19 N -3.4587196 -0.2469020 0.5817317 0.0563328 -2.6118255 0.3726390 0.6619093 0.8007819 -3.2387422 20 N -3.4587196 0.2469020 0.5817317 -0.0563328 -2.6118255 -0.3726390 0.6619093 -0.8007819 -3.2387422 21 N -3.4277218 0.2538979 -0.4594956 0.2309850 -2.4855144 0.0770773 -0.3354170 -0.0803434 -2.8748080 22 N -3.4277218 -0.2538979 -0.4594956 -0.2309850 -2.4855144 -0.0770773 -0.3354170 0.0803434 -2.8748080 23 N -3.4277218 0.2538979 -0.4594956 0.2309850 -2.4855144 0.0770773 -0.3354170 -0.0803434 -2.8748080 24 N -3.4277218 -0.2538979 -0.4594956 -0.2309850 -2.4855144 -0.0770773 -0.3354170 0.0803434 -2.8748080 25 N -3.4498582 0.2982962 0.4607698 0.1703643 -2.4759598 -0.0580623 0.3175561 0.0945516 -2.8590556 26 N -3.4498582 -0.2982962 0.4607698 -0.1703643 -2.4759598 0.0580623 0.3175561 -0.0945516 -2.8590556 27 N -3.4498582 0.2982962 0.4607698 0.1703643 -2.4759598 -0.0580623 0.3175561 0.0945516 -2.8590556 28 N -3.4498582 -0.2982962 0.4607698 -0.1703643 -2.4759598 0.0580623 0.3175561 -0.0945516 -2.8590556 29 N -4.3050782 -0.2999417 -0.0404004 -0.5430606 -3.1835981 -0.0246695 -0.0023313 -0.0490911 -2.2546438 30 N -4.3050782 0.2999417 -0.0404004 0.5430606 -3.1835981 0.0246695 -0.0023313 0.0490911 -2.2546438 31 N -4.3050782 -0.2999417 -0.0404004 -0.5430606 -3.1835981 -0.0246695 -0.0023313 -0.0490911 -2.2546438 32 N -4.3050782 0.2999417 -0.0404004 0.5430606 -3.1835981 0.0246695 -0.0023313 0.0490911 -2.2546438 33 N -3.4527122 -0.2870411 -0.5398189 -0.0463959 -2.5919215 -0.2524398 -0.6465374 -0.7025258 -3.2260712 34 N -3.4527122 0.2870411 -0.5398189 0.0463959 -2.5919215 0.2524398 -0.6465374 0.7025258 -3.2260712 35 N -3.4527122 -0.2870411 -0.5398189 -0.0463959 -2.5919215 -0.2524398 -0.6465374 -0.7025258 -3.2260712 36 N -3.4527122 0.2870411 -0.5398189 0.0463959 -2.5919215 0.2524398 -0.6465374 0.7025258 -3.2260712 37 N -3.3138995 0.5786313 -0.0418294 0.7261706 -3.6900466 -0.0975651 0.0357175 -0.1783669 -2.5256143 38 N -3.3138995 -0.5786313 -0.0418294 -0.7261706 -3.6900466 0.0975651 0.0357175 0.1783669 -2.5256143 39 N -3.3138995 0.5786313 -0.0418294 0.7261706 -3.6900466 -0.0975651 0.0357175 -0.1783669 -2.5256143 40 N -3.3138995 -0.5786313 -0.0418294 -0.7261706 -3.6900466 0.0975651 0.0357175 0.1783669 -2.5256143 41 N -3.9072552 -0.1333820 -0.1192005 -0.2152722 -3.8422290 -0.0352424 -0.2562055 -0.0494444 -3.8967771 42 N -3.9072552 0.1333820 -0.1192005 0.2152722 -3.8422290 0.0352424 -0.2562055 0.0494444 -3.8967771 43 N -3.9072552 -0.1333820 -0.1192005 -0.2152722 -3.8422290 -0.0352424 -0.2562055 -0.0494444 -3.8967771 44 N -3.9072552 0.1333820 -0.1192005 0.2152722 -3.8422290 0.0352424 -0.2562055 0.0494444 -3.8967771 45 N -3.1906239 0.6655177 0.0594489 0.2131522 -3.5221816 0.0466289 0.0335128 0.0925515 -2.5525740 46 N -3.1906239 -0.6655177 0.0594489 -0.2131522 -3.5221816 -0.0466289 0.0335128 -0.0925515 -2.5525740 47 N -3.1906239 0.6655177 0.0594489 0.2131522 -3.5221816 0.0466289 0.0335128 0.0925515 -2.5525740 48 N -3.1906239 -0.6655177 0.0594489 -0.2131522 -3.5221816 -0.0466289 0.0335128 -0.0925515 -2.5525740 49 N -3.1864986 0.6573471 0.0689564 0.4268920 -3.5245340 -0.0042006 0.1482449 -0.0202837 -2.9461324 50 N -3.1864986 -0.6573471 0.0689564 -0.4268920 -3.5245340 0.0042006 0.1482449 0.0202837 -2.9461324 51 N -3.1864986 0.6573471 0.0689564 0.4268920 -3.5245340 -0.0042006 0.1482449 -0.0202837 -2.9461324 52 N -3.1864986 -0.6573471 0.0689564 -0.4268920 -3.5245340 0.0042006 0.1482449 0.0202837 -2.9461324 53 N -2.8304637 -0.2844764 -0.0253607 0.2051006 -2.1761075 0.0162064 0.0300560 -0.0443390 -3.6083008 54 N -2.8304637 0.2844764 -0.0253607 -0.2051006 -2.1761075 -0.0162064 0.0300560 0.0443390 -3.6083008 55 N -2.8304637 -0.2844764 -0.0253607 0.2051006 -2.1761075 0.0162064 0.0300560 -0.0443390 -3.6083008 56 N -2.8304637 0.2844764 -0.0253607 -0.2051006 -2.1761075 -0.0162064 0.0300560 0.0443390 -3.6083008 57 La 4.8632440 0.0358916 -0.0151081 -0.1717225 4.3728523 -0.0355491 -0.0374614 0.0216394 3.8240700 58 La 4.8632440 -0.0358916 -0.0151081 0.1717225 4.3728523 0.0355491 -0.0374614 -0.0216394 3.8240700 59 La 4.8632440 0.0358916 -0.0151081 -0.1717225 4.3728523 -0.0355491 -0.0374614 0.0216394 3.8240700 60 La 4.8632440 -0.0358916 -0.0151081 0.1717225 4.3728523 0.0355491 -0.0374614 -0.0216394 3.8240700 61 La 3.8701572 0.0133486 -0.0598324 0.2610831 4.0734563 -0.1634507 -0.0742018 0.0744666 4.4034011 62 La 3.8701572 -0.0133486 -0.0598324 -0.2610831 4.0734563 0.1634507 -0.0742018 -0.0744666 4.4034011 63 La 3.8701572 0.0133486 -0.0598324 0.2610831 4.0734563 -0.1634507 -0.0742018 0.0744666 4.4034011 64 La 3.8701572 -0.0133486 -0.0598324 -0.2610831 4.0734563 0.1634507 -0.0742018 -0.0744666 4.4034011 65 La 4.0650956 -0.1430131 0.3956397 -0.1422243 4.6914803 -0.0490565 0.3776313 0.2160537 3.1915871 66 La 4.0650956 0.1430131 0.3956397 0.1422243 4.6914803 0.0490565 0.3776313 -0.2160537 3.1915871 67 La 4.0650956 -0.1430131 0.3956397 -0.1422243 4.6914803 -0.0490565 0.3776313 0.2160537 3.1915871 68 La 4.0650956 0.1430131 0.3956397 0.1422243 4.6914803 0.0490565 0.3776313 -0.2160537 3.1915871 69 La 3.7376885 -0.0878278 0.0493981 0.2868331 3.6450641 0.1192942 0.1490001 -0.0998599 4.2314232 70 La 3.7376885 0.0878278 0.0493981 -0.2868331 3.6450641 -0.1192942 0.1490001 0.0998599 4.2314232 71 La 3.7376885 -0.0878278 0.0493981 0.2868331 3.6450641 0.1192942 0.1490001 -0.0998599 4.2314232 72 La 3.7376885 0.0878278 0.0493981 -0.2868331 3.6450641 -0.1192942 0.1490001 0.0998599 4.2314232 73 La 3.7078845 0.0110232 -0.0346697 -0.0400954 3.6315073 0.4739971 -0.0596590 0.2821707 4.0300884 74 La 3.7078845 -0.0110232 -0.0346697 0.0400954 3.6315073 -0.4739971 -0.0596590 -0.2821707 4.0300884 75 La 3.7078845 0.0110232 -0.0346697 -0.0400954 3.6315073 0.4739971 -0.0596590 0.2821707 4.0300884 76 La 3.7078845 -0.0110232 -0.0346697 0.0400954 3.6315073 -0.4739971 -0.0596590 -0.2821707 4.0300884 77 La 4.2163484 0.1507032 -0.2968569 0.1676157 4.5542258 0.1570205 -0.2982296 0.0511796 4.2199446 78 La 4.2163484 -0.1507032 -0.2968569 -0.1676157 4.5542258 -0.1570205 -0.2982296 -0.0511796 4.2199446 79 La 4.2163484 0.1507032 -0.2968569 0.1676157 4.5542258 0.1570205 -0.2982296 0.0511796 4.2199446 80 La 4.2163484 -0.1507032 -0.2968569 -0.1676157 4.5542258 -0.1570205 -0.2982296 -0.0511796 4.2199446 ---------------------------------------------------------------------------- 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: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7320 Number of blocks in projector: 7320 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: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1600 / 1600 (1) 60 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 100 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 211 eigenvectors found. (2) Block: 500 / 500 (2) 213 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 37 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1600 / 1600 (1) 91 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1600 / 1600 (1) 60 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 100 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. Tree of FC basis block matrices: - (7320, 7141), data: False |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (1600, 1560), data: False |-- (1600, 100), data: (1600, 140) @ (140, 100) |-- (100, 60), data: True |-- (500, 474), data: False |-- (500, 20), data: (500, 46) @ (46, 20) |-- (250, 230), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 460), data: False |-- (500, 38), data: (500, 78) @ (78, 38) |-- (250, 212), data: True |-- (250, 210), data: True |-- (1600, 1561), data: False |-- (1600, 67), data: (1600, 106) @ (106, 67) |-- (100, 91), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 231), data: True |-- (250, 225), data: True |-- (500, 467), data: False |-- (500, 29), data: (500, 62) @ (62, 29) |-- (250, 221), data: True |-- (250, 217), data: True |-- (500, 461), data: False |-- (500, 37), data: (500, 76) @ (76, 37) |-- (250, 213), data: True |-- (250, 211), data: True |-- (1600, 1560), data: False |-- (1600, 100), data: (1600, 140) @ (140, 100) |-- (100, 60), data: True |-- (500, 474), data: False |-- (500, 20), data: (500, 46) @ (46, 20) |-- (250, 230), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 460), data: False |-- (500, 38), data: (500, 78) @ (78, 38) |-- (250, 212), data: True |-- (250, 210), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 2400 - Time: 1.598 Solver_block: 200 / 2400 - Time: 1.458 Solver_block: 300 / 2400 - Time: 1.458 Solver_block: 400 / 2400 - Time: 1.459 Solver_block: 500 / 2400 - Time: 1.457 Solver_block: 600 / 2400 - Time: 1.459 Solver_block: 700 / 2400 - Time: 1.458 Solver_block: 800 / 2400 - Time: 1.458 Solver_block: 900 / 2400 - Time: 1.457 Solver_block: 1000 / 2400 - Time: 1.455 Solver_block: 1100 / 2400 - Time: 1.460 Solver_block: 1200 / 2400 - Time: 1.456 Solver_block: 1300 / 2400 - Time: 1.461 Solver_block: 1400 / 2400 - Time: 1.459 Solver_block: 1500 / 2400 - Time: 1.453 Solver_block: 1600 / 2400 - Time: 1.459 Solver_block: 1700 / 2400 - Time: 1.459 Solver_block: 1800 / 2400 - Time: 1.455 Solver_block: 1900 / 2400 - Time: 1.457 Solver_block: 2000 / 2400 - Time: 1.458 Solver_block: 2100 / 2400 - Time: 1.458 Solver_block: 2200 / 2400 - Time: 1.454 Solver_block: 2300 / 2400 - Time: 1.459 Solver_block: 2400 / 2400 - Time: 1.456 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 36.220 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7320 Number of blocks in projector: 7320 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: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1600 / 1600 (1) 60 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 100 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 211 eigenvectors found. (2) Block: 500 / 500 (2) 213 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 37 eigenvectors found. (1) 461 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1600 / 1600 (1) 91 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 78 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1600 / 1600 (1) 60 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 100 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 320 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. Tree of FC basis block matrices: - (7320, 7141), data: False |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 20), data: (840, 40) @ (40, 20) |-- (340, 320), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (1600, 1560), data: False |-- (1600, 100), data: (1600, 140) @ (140, 100) |-- (100, 60), data: True |-- (500, 474), data: False |-- (500, 20), data: (500, 46) @ (46, 20) |-- (250, 230), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 460), data: False |-- (500, 38), data: (500, 78) @ (78, 38) |-- (250, 212), data: True |-- (250, 210), data: True |-- (1600, 1561), data: False |-- (1600, 67), data: (1600, 106) @ (106, 67) |-- (100, 91), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 231), data: True |-- (250, 225), data: True |-- (500, 467), data: False |-- (500, 29), data: (500, 62) @ (62, 29) |-- (250, 221), data: True |-- (250, 217), data: True |-- (500, 461), data: False |-- (500, 37), data: (500, 76) @ (76, 37) |-- (250, 213), data: True |-- (250, 211), data: True |-- (1600, 1560), data: False |-- (1600, 100), data: (1600, 140) @ (140, 100) |-- (100, 60), data: True |-- (500, 474), data: False |-- (500, 20), data: (500, 46) @ (46, 20) |-- (250, 230), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 220), data: True |-- (250, 216), data: True |-- (500, 460), data: False |-- (500, 38), data: (500, 78) @ (78, 38) |-- (250, 212), data: True |-- (250, 210), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:33:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:33:16]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): 1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): 1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 > 1 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 > 2 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 > 3 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 > 4 5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 > 5 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 > 6 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 > 7 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 > 8 9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 > 9 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 > 10 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 > 11 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 > 12 13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 > 13 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 > 14 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 > 15 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 > 16 17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 > 17 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 > 18 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 > 19 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 > 20 21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 > 21 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 > 22 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 > 23 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 > 24 25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 > 25 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 > 26 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 > 27 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 > 28 29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 > 29 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 > 30 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 > 31 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 > 32 33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 > 33 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 > 34 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 > 35 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 > 36 37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 > 37 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 > 38 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 > 39 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 > 40 41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 > 41 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 > 42 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 > 43 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 > 44 45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 > 45 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 > 46 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 > 47 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 > 48 49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 > 49 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 > 50 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 > 51 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 > 52 53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 > 53 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 > 54 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 > 55 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 > 56 57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 > 57 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 > 58 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 > 59 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 > 60 61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 > 61 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 > 62 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 > 63 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 > 64 65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 > 65 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 > 66 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 > 67 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 > 68 69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 > 69 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 > 70 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 > 71 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 > 72 73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 > 73 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 > 74 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 > 75 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 > 76 77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 > 77 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 > 78 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 > 79 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0953509 0.0000000 0.0292896 0.0000000 7.8517281 0.0000000 0.0293127 0.0000000 7.6155231 -------------------------- Born effective charges -------------------------- 1 B 2.7903903 0.1091274 -0.1822024 -0.0469999 0.3615363 -0.9861071 0.0324275 -1.2166852 2.0641987 2 B 2.7903903 -0.1091274 -0.1822024 0.0469999 0.3615363 0.9861071 0.0324275 1.2166852 2.0641987 3 B 2.7903903 0.1091274 -0.1822024 -0.0469999 0.3615363 -0.9861071 0.0324275 -1.2166852 2.0641987 4 B 2.7903903 -0.1091274 -0.1822024 0.0469999 0.3615363 0.9861071 0.0324275 1.2166852 2.0641987 5 B 1.7997128 -0.9699297 0.0006145 -0.8541223 2.0909740 -0.0280263 -0.0169172 -0.0468824 2.3838257 6 B 1.7997128 0.9699297 0.0006145 0.8541223 2.0909740 0.0280263 -0.0169172 0.0468824 2.3838257 7 B 1.7997128 -0.9699297 0.0006145 -0.8541223 2.0909740 -0.0280263 -0.0169172 -0.0468824 2.3838257 8 B 1.7997128 0.9699297 0.0006145 0.8541223 2.0909740 0.0280263 -0.0169172 0.0468824 2.3838257 9 B 2.8500246 -0.1001320 0.2337468 0.0583493 0.3612779 -0.8318206 -0.0016051 -1.1085182 2.1491267 10 B 2.8500246 0.1001320 0.2337468 -0.0583493 0.3612779 0.8318206 -0.0016051 1.1085182 2.1491267 11 B 2.8500246 -0.1001320 0.2337468 0.0583493 0.3612779 -0.8318206 -0.0016051 -1.1085182 2.1491267 12 B 2.8500246 0.1001320 0.2337468 -0.0583493 0.3612779 0.8318206 -0.0016051 1.1085182 2.1491267 13 B 2.6222851 0.0279313 -0.0355311 0.2886452 2.3215439 -0.0044388 -0.0574902 -0.0226648 -0.5149460 14 B 2.6222851 -0.0279313 -0.0355311 -0.2886452 2.3215439 0.0044388 -0.0574902 0.0226648 -0.5149460 15 B 2.6222851 0.0279313 -0.0355311 0.2886452 2.3215439 -0.0044388 -0.0574902 -0.0226648 -0.5149460 16 B 2.6222851 -0.0279313 -0.0355311 -0.2886452 2.3215439 0.0044388 -0.0574902 0.0226648 -0.5149460 17 N -3.4587196 -0.2469020 0.5817317 0.0563328 -2.6118255 0.3726390 0.6619093 0.8007819 -3.2387422 18 N -3.4587196 0.2469020 0.5817317 -0.0563328 -2.6118255 -0.3726390 0.6619093 -0.8007819 -3.2387422 19 N -3.4587196 -0.2469020 0.5817317 0.0563328 -2.6118255 0.3726390 0.6619093 0.8007819 -3.2387422 20 N -3.4587196 0.2469020 0.5817317 -0.0563328 -2.6118255 -0.3726390 0.6619093 -0.8007819 -3.2387422 21 N -3.4277218 0.2538979 -0.4594956 0.2309850 -2.4855144 0.0770773 -0.3354170 -0.0803434 -2.8748080 22 N -3.4277218 -0.2538979 -0.4594956 -0.2309850 -2.4855144 -0.0770773 -0.3354170 0.0803434 -2.8748080 23 N -3.4277218 0.2538979 -0.4594956 0.2309850 -2.4855144 0.0770773 -0.3354170 -0.0803434 -2.8748080 24 N -3.4277218 -0.2538979 -0.4594956 -0.2309850 -2.4855144 -0.0770773 -0.3354170 0.0803434 -2.8748080 25 N -3.4498582 0.2982962 0.4607698 0.1703643 -2.4759598 -0.0580623 0.3175561 0.0945516 -2.8590556 26 N -3.4498582 -0.2982962 0.4607698 -0.1703643 -2.4759598 0.0580623 0.3175561 -0.0945516 -2.8590556 27 N -3.4498582 0.2982962 0.4607698 0.1703643 -2.4759598 -0.0580623 0.3175561 0.0945516 -2.8590556 28 N -3.4498582 -0.2982962 0.4607698 -0.1703643 -2.4759598 0.0580623 0.3175561 -0.0945516 -2.8590556 29 N -4.3050782 -0.2999417 -0.0404004 -0.5430606 -3.1835981 -0.0246695 -0.0023313 -0.0490911 -2.2546438 30 N -4.3050782 0.2999417 -0.0404004 0.5430606 -3.1835981 0.0246695 -0.0023313 0.0490911 -2.2546438 31 N -4.3050782 -0.2999417 -0.0404004 -0.5430606 -3.1835981 -0.0246695 -0.0023313 -0.0490911 -2.2546438 32 N -4.3050782 0.2999417 -0.0404004 0.5430606 -3.1835981 0.0246695 -0.0023313 0.0490911 -2.2546438 33 N -3.4527122 -0.2870411 -0.5398189 -0.0463959 -2.5919215 -0.2524398 -0.6465374 -0.7025258 -3.2260712 34 N -3.4527122 0.2870411 -0.5398189 0.0463959 -2.5919215 0.2524398 -0.6465374 0.7025258 -3.2260712 35 N -3.4527122 -0.2870411 -0.5398189 -0.0463959 -2.5919215 -0.2524398 -0.6465374 -0.7025258 -3.2260712 36 N -3.4527122 0.2870411 -0.5398189 0.0463959 -2.5919215 0.2524398 -0.6465374 0.7025258 -3.2260712 37 N -3.3138995 0.5786313 -0.0418294 0.7261706 -3.6900466 -0.0975651 0.0357175 -0.1783669 -2.5256143 38 N -3.3138995 -0.5786313 -0.0418294 -0.7261706 -3.6900466 0.0975651 0.0357175 0.1783669 -2.5256143 39 N -3.3138995 0.5786313 -0.0418294 0.7261706 -3.6900466 -0.0975651 0.0357175 -0.1783669 -2.5256143 40 N -3.3138995 -0.5786313 -0.0418294 -0.7261706 -3.6900466 0.0975651 0.0357175 0.1783669 -2.5256143 41 N -3.9072552 -0.1333820 -0.1192005 -0.2152722 -3.8422290 -0.0352424 -0.2562055 -0.0494444 -3.8967771 42 N -3.9072552 0.1333820 -0.1192005 0.2152722 -3.8422290 0.0352424 -0.2562055 0.0494444 -3.8967771 43 N -3.9072552 -0.1333820 -0.1192005 -0.2152722 -3.8422290 -0.0352424 -0.2562055 -0.0494444 -3.8967771 44 N -3.9072552 0.1333820 -0.1192005 0.2152722 -3.8422290 0.0352424 -0.2562055 0.0494444 -3.8967771 45 N -3.1906239 0.6655177 0.0594489 0.2131522 -3.5221816 0.0466289 0.0335128 0.0925515 -2.5525740 46 N -3.1906239 -0.6655177 0.0594489 -0.2131522 -3.5221816 -0.0466289 0.0335128 -0.0925515 -2.5525740 47 N -3.1906239 0.6655177 0.0594489 0.2131522 -3.5221816 0.0466289 0.0335128 0.0925515 -2.5525740 48 N -3.1906239 -0.6655177 0.0594489 -0.2131522 -3.5221816 -0.0466289 0.0335128 -0.0925515 -2.5525740 49 N -3.1864986 0.6573471 0.0689564 0.4268920 -3.5245340 -0.0042006 0.1482449 -0.0202837 -2.9461324 50 N -3.1864986 -0.6573471 0.0689564 -0.4268920 -3.5245340 0.0042006 0.1482449 0.0202837 -2.9461324 51 N -3.1864986 0.6573471 0.0689564 0.4268920 -3.5245340 -0.0042006 0.1482449 -0.0202837 -2.9461324 52 N -3.1864986 -0.6573471 0.0689564 -0.4268920 -3.5245340 0.0042006 0.1482449 0.0202837 -2.9461324 53 N -2.8304637 -0.2844764 -0.0253607 0.2051006 -2.1761075 0.0162064 0.0300560 -0.0443390 -3.6083008 54 N -2.8304637 0.2844764 -0.0253607 -0.2051006 -2.1761075 -0.0162064 0.0300560 0.0443390 -3.6083008 55 N -2.8304637 -0.2844764 -0.0253607 0.2051006 -2.1761075 0.0162064 0.0300560 -0.0443390 -3.6083008 56 N -2.8304637 0.2844764 -0.0253607 -0.2051006 -2.1761075 -0.0162064 0.0300560 0.0443390 -3.6083008 57 La 4.8632440 0.0358916 -0.0151081 -0.1717225 4.3728523 -0.0355491 -0.0374614 0.0216394 3.8240700 58 La 4.8632440 -0.0358916 -0.0151081 0.1717225 4.3728523 0.0355491 -0.0374614 -0.0216394 3.8240700 59 La 4.8632440 0.0358916 -0.0151081 -0.1717225 4.3728523 -0.0355491 -0.0374614 0.0216394 3.8240700 60 La 4.8632440 -0.0358916 -0.0151081 0.1717225 4.3728523 0.0355491 -0.0374614 -0.0216394 3.8240700 61 La 3.8701572 0.0133486 -0.0598324 0.2610831 4.0734563 -0.1634507 -0.0742018 0.0744666 4.4034011 62 La 3.8701572 -0.0133486 -0.0598324 -0.2610831 4.0734563 0.1634507 -0.0742018 -0.0744666 4.4034011 63 La 3.8701572 0.0133486 -0.0598324 0.2610831 4.0734563 -0.1634507 -0.0742018 0.0744666 4.4034011 64 La 3.8701572 -0.0133486 -0.0598324 -0.2610831 4.0734563 0.1634507 -0.0742018 -0.0744666 4.4034011 65 La 4.0650956 -0.1430131 0.3956397 -0.1422243 4.6914803 -0.0490565 0.3776313 0.2160537 3.1915871 66 La 4.0650956 0.1430131 0.3956397 0.1422243 4.6914803 0.0490565 0.3776313 -0.2160537 3.1915871 67 La 4.0650956 -0.1430131 0.3956397 -0.1422243 4.6914803 -0.0490565 0.3776313 0.2160537 3.1915871 68 La 4.0650956 0.1430131 0.3956397 0.1422243 4.6914803 0.0490565 0.3776313 -0.2160537 3.1915871 69 La 3.7376885 -0.0878278 0.0493981 0.2868331 3.6450641 0.1192942 0.1490001 -0.0998599 4.2314232 70 La 3.7376885 0.0878278 0.0493981 -0.2868331 3.6450641 -0.1192942 0.1490001 0.0998599 4.2314232 71 La 3.7376885 -0.0878278 0.0493981 0.2868331 3.6450641 0.1192942 0.1490001 -0.0998599 4.2314232 72 La 3.7376885 0.0878278 0.0493981 -0.2868331 3.6450641 -0.1192942 0.1490001 0.0998599 4.2314232 73 La 3.7078845 0.0110232 -0.0346697 -0.0400954 3.6315073 0.4739971 -0.0596590 0.2821707 4.0300884 74 La 3.7078845 -0.0110232 -0.0346697 0.0400954 3.6315073 -0.4739971 -0.0596590 -0.2821707 4.0300884 75 La 3.7078845 0.0110232 -0.0346697 -0.0400954 3.6315073 0.4739971 -0.0596590 0.2821707 4.0300884 76 La 3.7078845 -0.0110232 -0.0346697 0.0400954 3.6315073 -0.4739971 -0.0596590 -0.2821707 4.0300884 77 La 4.2163484 0.1507032 -0.2968569 0.1676157 4.5542258 0.1570205 -0.2982296 0.0511796 4.2199446 78 La 4.2163484 -0.1507032 -0.2968569 -0.1676157 4.5542258 -0.1570205 -0.2982296 -0.0511796 4.2199446 79 La 4.2163484 0.1507032 -0.2968569 0.1676157 4.5542258 0.1570205 -0.2982296 0.0511796 4.2199446 80 La 4.2163484 -0.1507032 -0.2968569 -0.1676157 4.5542258 -0.1570205 -0.2982296 -0.0511796 4.2199446 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:34:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:34:16]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): 1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.598493600004016 0.000000000000000 0.000000000000000 b 0.000000000000000 14.643682620000000 0.000000000000000 c -0.005216103174790 0.000000000000000 7.572561214774478 Atomic positions (fractional): 1 B 0.93990310051045 0.85698823527031 0.96500633070847 10.811 > 1 2 B 0.06009689948955 0.35698823527031 0.53499366929153 10.811 > 2 3 B 0.06009689948955 0.14301176472969 0.03499366929153 10.811 > 3 4 B 0.93990310051045 0.64301176472969 0.46500633070847 10.811 > 4 5 B 0.27165472794205 0.10694475872597 0.87613545730367 10.811 > 5 6 B 0.72834527205795 0.60694475872597 0.62386454269633 10.811 > 6 7 B 0.72834527205795 0.89305524127403 0.12386454269633 10.811 > 7 8 B 0.27165472794205 0.39305524127403 0.37613545730367 10.811 > 8 9 B 0.94028995810823 0.64683350280830 0.77992420194822 10.811 > 9 10 B 0.05971004189177 0.14683350280830 0.72007579805178 10.811 > 10 11 B 0.05971004189177 0.35316649719170 0.22007579805178 10.811 > 11 12 B 0.94028995810823 0.85316649719170 0.27992420194822 10.811 > 12 13 B 0.59401256836669 0.24860315460768 0.37638235717315 10.811 > 13 14 B 0.40598743163331 0.74860315460768 0.12361764282685 10.811 > 14 15 B 0.40598743163331 0.75139684539232 0.62361764282685 10.811 > 15 16 B 0.59401256836669 0.25139684539232 0.87638235717315 10.811 > 16 17 N 0.02562470853951 0.89891301174215 0.83530620912304 14.007 > 17 18 N 0.97437529146049 0.39891301174215 0.66469379087696 14.007 > 18 19 N 0.97437529146049 0.10108698825785 0.16469379087696 14.007 > 19 20 N 0.02562470853951 0.60108698825785 0.33530620912304 14.007 > 20 21 N 0.21372175985066 0.14222363591913 0.70748342938620 14.007 > 21 22 N 0.78627824014934 0.64222363591913 0.79251657061380 14.007 > 22 23 N 0.78627824014934 0.85777636408087 0.29251657061380 14.007 > 23 24 N 0.21372175985066 0.35777636408087 0.20748342938621 14.007 > 24 25 N 0.21409844951046 0.13953013753972 0.04731977517402 14.007 > 25 26 N 0.78590155048954 0.63953013753972 0.45268022482598 14.007 > 26 27 N 0.78590155048954 0.86046986246028 0.95268022482598 14.007 > 27 28 N 0.21409844951046 0.36046986246028 0.54731977517402 14.007 > 28 29 N 0.44310470162772 0.23699418570471 0.37853508519412 14.007 > 29 30 N 0.55689529837228 0.73699418570471 0.12146491480588 14.007 > 30 31 N 0.55689529837228 0.76300581429529 0.62146491480588 14.007 > 31 32 N 0.44310470162772 0.26300581429529 0.87853508519412 14.007 > 32 33 N 0.02685010673707 0.89126336820127 0.41298919796533 14.007 > 33 34 N 0.97314989326293 0.39126336820127 0.08701080203467 14.007 > 34 35 N 0.97314989326293 0.10873663179873 0.58701080203467 14.007 > 35 36 N 0.02685010673707 0.60873663179873 0.91298919796533 14.007 > 36 37 N 0.33766439118206 0.83900229670192 0.12151387885788 14.007 > 37 38 N 0.66233560881794 0.33900229670192 0.37848612114212 14.007 > 38 39 N 0.66233560881794 0.16099770329808 0.87848612114212 14.007 > 39 40 N 0.33766439118206 0.66099770329808 0.62151387885788 14.007 > 40 41 N 0.65726551781299 0.97860687196634 0.63129494511334 14.007 > 41 42 N 0.34273448218702 0.47860687196634 0.86870505488666 14.007 > 42 43 N 0.34273448218702 0.02139312803365 0.36870505488666 14.007 > 43 44 N 0.65726551781299 0.52139312803366 0.13129494511334 14.007 > 44 45 N 0.31554695408358 0.83320551256160 0.62710818877871 14.007 > 45 46 N 0.68445304591642 0.33320551256160 0.87289181122129 14.007 > 46 47 N 0.68445304591642 0.16679448743840 0.37289181122129 14.007 > 47 48 N 0.31554695408358 0.66679448743840 0.12710818877871 14.007 > 48 49 N 0.63682793338703 0.97137233910105 0.12416534358734 14.007 > 49 50 N 0.36317206661297 0.47137233910105 0.37583465641266 14.007 > 50 51 N 0.36317206661297 0.02862766089895 0.87583465641266 14.007 > 51 52 N 0.63682793338703 0.52862766089895 0.62416534358734 14.007 > 52 53 N 0.00782517428121 0.81329734574171 0.12109814756659 14.007 > 53 54 N 0.99217482571879 0.31329734574171 0.37890185243341 14.007 > 54 55 N 0.99217482571879 0.18670265425829 0.87890185243341 14.007 > 55 56 N 0.00782517428121 0.68670265425829 0.62109814756659 14.007 > 56 57 La 0.19907030654617 0.19249892196571 0.37805711538695 138.905 > 57 58 La 0.80092969345383 0.69249892196571 0.12194288461305 138.905 > 58 59 La 0.80092969345383 0.80750107803429 0.62194288461305 138.905 > 59 60 La 0.19907030654617 0.30750107803429 0.87805711538695 138.905 > 60 61 La 0.48865956796591 0.11251318297197 0.12984438821821 138.905 > 61 62 La 0.51134043203409 0.61251318297197 0.37015561178179 138.905 > 62 63 La 0.51134043203409 0.88748681702803 0.87015561178179 138.905 > 63 64 La 0.48865956796591 0.38748681702803 0.62984438821821 138.905 > 64 65 La 0.18108765683389 0.96627345706630 0.13711727294024 138.905 > 65 66 La 0.81891234316611 0.46627345706630 0.36288272705976 138.905 > 66 67 La 0.81891234316611 0.03372654293370 0.86288272705976 138.905 > 67 68 La 0.18108765683389 0.53372654293370 0.63711727294024 138.905 > 68 69 La 0.49511271060579 0.11059708568485 0.62339621217436 138.905 > 69 70 La 0.50488728939421 0.61059708568485 0.87660378782564 138.905 > 70 71 La 0.50488728939421 0.88940291431515 0.37660378782564 138.905 > 71 72 La 0.49511271060579 0.38940291431515 0.12339621217436 138.905 > 72 73 La 0.17393271649969 0.75279873547135 0.87584356689988 138.905 > 73 74 La 0.82606728350031 0.25279873547135 0.62415643310012 138.905 > 74 75 La 0.82606728350031 0.24720126452866 0.12415643310011 138.905 > 75 76 La 0.17393271649969 0.74720126452865 0.37584356689989 138.905 > 76 77 La 0.17536009563947 0.97086206894478 0.61738897203200 138.905 > 77 78 La 0.82463990436053 0.47086206894478 0.88261102796800 138.905 > 78 79 La 0.82463990436053 0.02913793105523 0.38261102796800 138.905 > 79 80 La 0.17536009563947 0.52913793105522 0.11738897203200 138.905 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0953509 0.0000000 0.0292896 0.0000000 7.8517281 0.0000000 0.0293127 0.0000000 7.6155231 -------------------------- Born effective charges -------------------------- 1 B 2.7903903 0.1091274 -0.1822024 -0.0469999 0.3615363 -0.9861071 0.0324275 -1.2166852 2.0641987 2 B 2.7903903 -0.1091274 -0.1822024 0.0469999 0.3615363 0.9861071 0.0324275 1.2166852 2.0641987 3 B 2.7903903 0.1091274 -0.1822024 -0.0469999 0.3615363 -0.9861071 0.0324275 -1.2166852 2.0641987 4 B 2.7903903 -0.1091274 -0.1822024 0.0469999 0.3615363 0.9861071 0.0324275 1.2166852 2.0641987 5 B 1.7997128 -0.9699297 0.0006145 -0.8541223 2.0909740 -0.0280263 -0.0169172 -0.0468824 2.3838257 6 B 1.7997128 0.9699297 0.0006145 0.8541223 2.0909740 0.0280263 -0.0169172 0.0468824 2.3838257 7 B 1.7997128 -0.9699297 0.0006145 -0.8541223 2.0909740 -0.0280263 -0.0169172 -0.0468824 2.3838257 8 B 1.7997128 0.9699297 0.0006145 0.8541223 2.0909740 0.0280263 -0.0169172 0.0468824 2.3838257 9 B 2.8500246 -0.1001320 0.2337468 0.0583493 0.3612779 -0.8318206 -0.0016051 -1.1085182 2.1491267 10 B 2.8500246 0.1001320 0.2337468 -0.0583493 0.3612779 0.8318206 -0.0016051 1.1085182 2.1491267 11 B 2.8500246 -0.1001320 0.2337468 0.0583493 0.3612779 -0.8318206 -0.0016051 -1.1085182 2.1491267 12 B 2.8500246 0.1001320 0.2337468 -0.0583493 0.3612779 0.8318206 -0.0016051 1.1085182 2.1491267 13 B 2.6222851 0.0279313 -0.0355311 0.2886452 2.3215439 -0.0044388 -0.0574902 -0.0226648 -0.5149460 14 B 2.6222851 -0.0279313 -0.0355311 -0.2886452 2.3215439 0.0044388 -0.0574902 0.0226648 -0.5149460 15 B 2.6222851 0.0279313 -0.0355311 0.2886452 2.3215439 -0.0044388 -0.0574902 -0.0226648 -0.5149460 16 B 2.6222851 -0.0279313 -0.0355311 -0.2886452 2.3215439 0.0044388 -0.0574902 0.0226648 -0.5149460 17 N -3.4587196 -0.2469020 0.5817317 0.0563328 -2.6118255 0.3726390 0.6619093 0.8007819 -3.2387422 18 N -3.4587196 0.2469020 0.5817317 -0.0563328 -2.6118255 -0.3726390 0.6619093 -0.8007819 -3.2387422 19 N -3.4587196 -0.2469020 0.5817317 0.0563328 -2.6118255 0.3726390 0.6619093 0.8007819 -3.2387422 20 N -3.4587196 0.2469020 0.5817317 -0.0563328 -2.6118255 -0.3726390 0.6619093 -0.8007819 -3.2387422 21 N -3.4277218 0.2538979 -0.4594956 0.2309850 -2.4855144 0.0770773 -0.3354170 -0.0803434 -2.8748080 22 N -3.4277218 -0.2538979 -0.4594956 -0.2309850 -2.4855144 -0.0770773 -0.3354170 0.0803434 -2.8748080 23 N -3.4277218 0.2538979 -0.4594956 0.2309850 -2.4855144 0.0770773 -0.3354170 -0.0803434 -2.8748080 24 N -3.4277218 -0.2538979 -0.4594956 -0.2309850 -2.4855144 -0.0770773 -0.3354170 0.0803434 -2.8748080 25 N -3.4498582 0.2982962 0.4607698 0.1703643 -2.4759598 -0.0580623 0.3175561 0.0945516 -2.8590556 26 N -3.4498582 -0.2982962 0.4607698 -0.1703643 -2.4759598 0.0580623 0.3175561 -0.0945516 -2.8590556 27 N -3.4498582 0.2982962 0.4607698 0.1703643 -2.4759598 -0.0580623 0.3175561 0.0945516 -2.8590556 28 N -3.4498582 -0.2982962 0.4607698 -0.1703643 -2.4759598 0.0580623 0.3175561 -0.0945516 -2.8590556 29 N -4.3050782 -0.2999417 -0.0404004 -0.5430606 -3.1835981 -0.0246695 -0.0023313 -0.0490911 -2.2546438 30 N -4.3050782 0.2999417 -0.0404004 0.5430606 -3.1835981 0.0246695 -0.0023313 0.0490911 -2.2546438 31 N -4.3050782 -0.2999417 -0.0404004 -0.5430606 -3.1835981 -0.0246695 -0.0023313 -0.0490911 -2.2546438 32 N -4.3050782 0.2999417 -0.0404004 0.5430606 -3.1835981 0.0246695 -0.0023313 0.0490911 -2.2546438 33 N -3.4527122 -0.2870411 -0.5398189 -0.0463959 -2.5919215 -0.2524398 -0.6465374 -0.7025258 -3.2260712 34 N -3.4527122 0.2870411 -0.5398189 0.0463959 -2.5919215 0.2524398 -0.6465374 0.7025258 -3.2260712 35 N -3.4527122 -0.2870411 -0.5398189 -0.0463959 -2.5919215 -0.2524398 -0.6465374 -0.7025258 -3.2260712 36 N -3.4527122 0.2870411 -0.5398189 0.0463959 -2.5919215 0.2524398 -0.6465374 0.7025258 -3.2260712 37 N -3.3138995 0.5786313 -0.0418294 0.7261706 -3.6900466 -0.0975651 0.0357175 -0.1783669 -2.5256143 38 N -3.3138995 -0.5786313 -0.0418294 -0.7261706 -3.6900466 0.0975651 0.0357175 0.1783669 -2.5256143 39 N -3.3138995 0.5786313 -0.0418294 0.7261706 -3.6900466 -0.0975651 0.0357175 -0.1783669 -2.5256143 40 N -3.3138995 -0.5786313 -0.0418294 -0.7261706 -3.6900466 0.0975651 0.0357175 0.1783669 -2.5256143 41 N -3.9072552 -0.1333820 -0.1192005 -0.2152722 -3.8422290 -0.0352424 -0.2562055 -0.0494444 -3.8967771 42 N -3.9072552 0.1333820 -0.1192005 0.2152722 -3.8422290 0.0352424 -0.2562055 0.0494444 -3.8967771 43 N -3.9072552 -0.1333820 -0.1192005 -0.2152722 -3.8422290 -0.0352424 -0.2562055 -0.0494444 -3.8967771 44 N -3.9072552 0.1333820 -0.1192005 0.2152722 -3.8422290 0.0352424 -0.2562055 0.0494444 -3.8967771 45 N -3.1906239 0.6655177 0.0594489 0.2131522 -3.5221816 0.0466289 0.0335128 0.0925515 -2.5525740 46 N -3.1906239 -0.6655177 0.0594489 -0.2131522 -3.5221816 -0.0466289 0.0335128 -0.0925515 -2.5525740 47 N -3.1906239 0.6655177 0.0594489 0.2131522 -3.5221816 0.0466289 0.0335128 0.0925515 -2.5525740 48 N -3.1906239 -0.6655177 0.0594489 -0.2131522 -3.5221816 -0.0466289 0.0335128 -0.0925515 -2.5525740 49 N -3.1864986 0.6573471 0.0689564 0.4268920 -3.5245340 -0.0042006 0.1482449 -0.0202837 -2.9461324 50 N -3.1864986 -0.6573471 0.0689564 -0.4268920 -3.5245340 0.0042006 0.1482449 0.0202837 -2.9461324 51 N -3.1864986 0.6573471 0.0689564 0.4268920 -3.5245340 -0.0042006 0.1482449 -0.0202837 -2.9461324 52 N -3.1864986 -0.6573471 0.0689564 -0.4268920 -3.5245340 0.0042006 0.1482449 0.0202837 -2.9461324 53 N -2.8304637 -0.2844764 -0.0253607 0.2051006 -2.1761075 0.0162064 0.0300560 -0.0443390 -3.6083008 54 N -2.8304637 0.2844764 -0.0253607 -0.2051006 -2.1761075 -0.0162064 0.0300560 0.0443390 -3.6083008 55 N -2.8304637 -0.2844764 -0.0253607 0.2051006 -2.1761075 0.0162064 0.0300560 -0.0443390 -3.6083008 56 N -2.8304637 0.2844764 -0.0253607 -0.2051006 -2.1761075 -0.0162064 0.0300560 0.0443390 -3.6083008 57 La 4.8632440 0.0358916 -0.0151081 -0.1717225 4.3728523 -0.0355491 -0.0374614 0.0216394 3.8240700 58 La 4.8632440 -0.0358916 -0.0151081 0.1717225 4.3728523 0.0355491 -0.0374614 -0.0216394 3.8240700 59 La 4.8632440 0.0358916 -0.0151081 -0.1717225 4.3728523 -0.0355491 -0.0374614 0.0216394 3.8240700 60 La 4.8632440 -0.0358916 -0.0151081 0.1717225 4.3728523 0.0355491 -0.0374614 -0.0216394 3.8240700 61 La 3.8701572 0.0133486 -0.0598324 0.2610831 4.0734563 -0.1634507 -0.0742018 0.0744666 4.4034011 62 La 3.8701572 -0.0133486 -0.0598324 -0.2610831 4.0734563 0.1634507 -0.0742018 -0.0744666 4.4034011 63 La 3.8701572 0.0133486 -0.0598324 0.2610831 4.0734563 -0.1634507 -0.0742018 0.0744666 4.4034011 64 La 3.8701572 -0.0133486 -0.0598324 -0.2610831 4.0734563 0.1634507 -0.0742018 -0.0744666 4.4034011 65 La 4.0650956 -0.1430131 0.3956397 -0.1422243 4.6914803 -0.0490565 0.3776313 0.2160537 3.1915871 66 La 4.0650956 0.1430131 0.3956397 0.1422243 4.6914803 0.0490565 0.3776313 -0.2160537 3.1915871 67 La 4.0650956 -0.1430131 0.3956397 -0.1422243 4.6914803 -0.0490565 0.3776313 0.2160537 3.1915871 68 La 4.0650956 0.1430131 0.3956397 0.1422243 4.6914803 0.0490565 0.3776313 -0.2160537 3.1915871 69 La 3.7376885 -0.0878278 0.0493981 0.2868331 3.6450641 0.1192942 0.1490001 -0.0998599 4.2314232 70 La 3.7376885 0.0878278 0.0493981 -0.2868331 3.6450641 -0.1192942 0.1490001 0.0998599 4.2314232 71 La 3.7376885 -0.0878278 0.0493981 0.2868331 3.6450641 0.1192942 0.1490001 -0.0998599 4.2314232 72 La 3.7376885 0.0878278 0.0493981 -0.2868331 3.6450641 -0.1192942 0.1490001 0.0998599 4.2314232 73 La 3.7078845 0.0110232 -0.0346697 -0.0400954 3.6315073 0.4739971 -0.0596590 0.2821707 4.0300884 74 La 3.7078845 -0.0110232 -0.0346697 0.0400954 3.6315073 -0.4739971 -0.0596590 -0.2821707 4.0300884 75 La 3.7078845 0.0110232 -0.0346697 -0.0400954 3.6315073 0.4739971 -0.0596590 0.2821707 4.0300884 76 La 3.7078845 -0.0110232 -0.0346697 0.0400954 3.6315073 -0.4739971 -0.0596590 -0.2821707 4.0300884 77 La 4.2163484 0.1507032 -0.2968569 0.1676157 4.5542258 0.1570205 -0.2982296 0.0511796 4.2199446 78 La 4.2163484 -0.1507032 -0.2968569 -0.1676157 4.5542258 -0.1570205 -0.2982296 -0.0511796 4.2199446 79 La 4.2163484 0.1507032 -0.2968569 0.1676157 4.5542258 0.1570205 -0.2982296 0.0511796 4.2199446 80 La 4.2163484 -0.1507032 -0.2968569 -0.1676157 4.5542258 -0.1570205 -0.2982296 -0.0511796 4.2199446 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 3 7 ] 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: 0.41, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 6.895 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.382 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.854 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.546 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.600 ( 0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.211 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 15.733 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.775 ( 0.000 0.000 0.000) 0.000 17.002 ( 0.000 0.000 0.000) 0.000 17.019 ( 0.000 0.000 0.000) 0.000 17.143 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.369 ( 0.000 0.000 0.000) 0.000 17.383 ( 0.000 0.000 0.000) 0.000 17.503 ( 0.000 0.000 0.000) 0.000 17.511 ( 0.000 0.000 0.000) 0.000 17.697 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 17.793 ( 0.000 0.000 0.000) 0.000 17.817 ( 0.000 0.000 0.000) 0.000 19.408 ( 0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 19.413 ( 0.000 0.000 0.000) 0.000 19.541 ( 0.000 0.000 0.000) 0.000 19.968 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 20.043 ( 0.000 0.000 0.000) 0.000 20.048 ( 0.000 0.000 0.000) 0.000 20.256 ( 0.000 0.000 0.000) 0.000 20.295 ( 0.000 0.000 0.000) 0.000 20.322 ( 0.000 0.000 0.000) 0.000 20.343 ( 0.000 0.000 0.000) 0.000 21.176 ( 0.000 0.000 0.000) 0.000 21.257 ( 0.000 0.000 0.000) 0.000 21.298 ( 0.000 0.000 0.000) 0.000 21.309 ( 0.000 0.000 0.000) 0.000 22.003 ( 0.000 0.000 0.000) 0.000 22.008 ( 0.000 0.000 0.000) 0.000 22.048 ( 0.000 0.000 0.000) 0.000 22.051 ( 0.000 0.000 0.000) 0.000 23.670 ( 0.000 0.000 0.000) 0.000 23.671 ( 0.000 0.000 0.000) 0.000 23.703 ( 0.000 0.000 0.000) 0.000 23.768 ( 0.000 0.000 0.000) 0.000 26.683 ( 0.000 0.000 0.000) 0.000 26.684 ( 0.000 0.000 0.000) 0.000 26.687 ( 0.000 0.000 0.000) 0.000 26.755 ( 0.000 0.000 0.000) 0.000 26.767 ( 0.000 0.000 0.000) 0.000 26.822 ( 0.000 0.000 0.000) 0.000 26.894 ( 0.000 0.000 0.000) 0.000 26.924 ( 0.000 0.000 0.000) 0.000 27.002 ( 0.000 0.000 0.000) 0.000 27.038 ( 0.000 0.000 0.000) 0.000 27.072 ( 0.000 0.000 0.000) 0.000 27.123 ( 0.000 0.000 0.000) 0.000 30.539 ( 0.000 0.000 0.000) 0.000 30.540 ( 0.000 0.000 0.000) 0.000 30.602 ( 0.000 0.000 0.000) 0.000 30.603 ( 0.000 0.000 0.000) 0.000 31.751 ( 0.000 0.000 0.000) 0.000 31.755 ( 0.000 0.000 0.000) 0.000 31.992 ( 0.000 0.000 0.000) 0.000 32.230 ( 0.000 0.000 0.000) 0.000 32.609 ( 0.000 0.000 0.000) 0.000 32.656 ( 0.000 0.000 0.000) 0.000 32.889 ( 0.000 0.000 0.000) 0.000 32.890 ( 0.000 0.000 0.000) 0.000 33.022 ( 0.000 0.000 0.000) 0.000 33.037 ( 0.000 0.000 0.000) 0.000 33.085 ( 0.000 0.000 0.000) 0.000 33.156 ( 0.000 0.000 0.000) 0.000 33.484 ( 0.000 0.000 0.000) 0.000 33.502 ( 0.000 0.000 0.000) 0.000 33.900 ( 0.000 0.000 0.000) 0.000 34.054 ( 0.000 0.000 0.000) 0.000 34.150 ( 0.000 0.000 0.000) 0.000 34.465 ( 0.000 0.000 0.000) 0.000 34.579 ( 0.000 0.000 0.000) 0.000 34.709 ( 0.000 0.000 0.000) 0.000 35.962 ( 0.000 0.000 0.000) 0.000 35.976 ( 0.000 0.000 0.000) 0.000 36.095 ( 0.000 0.000 0.000) 0.000 36.114 ( 0.000 0.000 0.000) 0.000 37.875 ( 0.000 0.000 0.000) 0.000 37.915 ( 0.000 0.000 0.000) 0.000 38.008 ( 0.000 0.000 0.000) 0.000 38.069 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 31.094 0.000 -0.779) 31.103 0.697 ( 32.238 0.000 -1.202) 32.261 1.218 ( 56.364 0.000 -2.203) 56.407 1.870 ( 7.312 0.000 -0.640) 7.340 2.052 ( 4.257 0.000 -0.782) 4.328 2.060 ( -2.532 0.000 -0.844) 2.669 2.097 ( -3.863 0.000 0.422) 3.886 2.297 ( -7.458 0.000 1.227) 7.558 2.340 ( -4.779 0.000 1.709) 5.075 2.445 ( -2.661 0.000 -0.312) 2.679 2.555 ( -3.047 0.000 -0.462) 3.081 2.601 ( 4.284 0.000 -0.460) 4.309 2.615 ( -0.076 0.000 0.534) 0.540 2.663 ( -1.596 0.000 0.516) 1.677 2.731 ( 0.593 0.000 -4.493) 4.532 2.747 ( -0.669 0.000 4.312) 4.364 2.853 ( 0.293 0.000 1.240) 1.274 2.872 ( -0.489 0.000 3.302) 3.338 2.924 ( -0.663 0.000 -7.524) 7.553 2.989 ( -1.185 0.000 1.777) 2.136 3.005 ( -2.461 0.000 1.018) 2.663 3.072 ( -0.263 0.000 -1.894) 1.912 3.092 ( -5.482 0.000 -1.395) 5.657 3.125 ( -2.139 0.000 0.901) 2.321 3.197 ( -5.819 0.000 -1.830) 6.100 3.215 ( 1.133 0.000 -3.247) 3.439 3.267 ( -0.851 0.000 -3.958) 4.049 3.317 ( -6.063 0.000 0.869) 6.125 3.320 ( -5.372 0.000 4.675) 7.121 3.403 ( -0.037 0.000 0.925) 0.925 3.440 ( -0.436 0.000 1.273) 1.346 3.460 ( 0.823 0.000 3.221) 3.324 3.487 ( 2.793 0.000 -2.625) 3.833 3.520 ( -2.587 0.000 -0.886) 2.734 3.563 ( -0.644 0.000 2.351) 2.437 3.565 ( -1.278 0.000 -0.781) 1.498 3.657 ( 1.994 0.000 4.556) 4.974 3.712 ( -0.398 0.000 1.619) 1.667 3.727 ( -1.275 0.000 4.326) 4.510 3.764 ( -1.818 0.000 -3.419) 3.872 3.786 ( 2.056 0.000 1.959) 2.840 3.845 ( -0.727 0.000 1.285) 1.476 3.901 ( 4.021 0.000 -2.400) 4.683 3.919 ( 3.617 0.000 -0.784) 3.701 3.945 ( 2.695 0.000 0.669) 2.777 4.001 ( 2.662 0.000 -1.123) 2.889 4.012 ( 5.953 0.000 -4.416) 7.412 4.055 ( 0.630 0.000 2.336) 2.420 4.091 ( 0.391 0.000 4.077) 4.096 4.102 ( 1.874 0.000 -2.684) 3.274 4.149 ( 2.218 0.000 0.656) 2.313 4.211 ( 2.733 0.000 0.830) 2.856 4.248 ( 4.578 0.000 -0.038) 4.578 4.272 ( 0.960 0.000 0.322) 1.012 4.327 ( 1.461 0.000 -2.291) 2.717 4.363 ( 1.666 0.000 -3.451) 3.832 4.422 ( 0.473 0.000 2.602) 2.645 4.424 ( -5.779 0.000 -0.899) 5.849 4.511 ( -0.104 0.000 0.558) 0.568 4.532 ( -7.015 0.000 1.094) 7.100 4.597 ( -4.677 0.000 -2.501) 5.304 4.624 ( -14.683 0.000 -3.405) 15.072 4.673 ( -4.982 0.000 -0.405) 4.999 4.772 ( -4.216 0.000 3.674) 5.592 4.793 ( -2.840 0.000 -2.116) 3.541 4.818 ( -3.113 0.000 -2.903) 4.256 4.983 ( -3.389 0.000 2.182) 4.031 5.055 ( -8.701 0.000 -1.407) 8.814 5.202 ( 1.366 0.000 -0.814) 1.590 5.260 ( -3.214 0.000 1.391) 3.502 5.298 ( 0.661 0.000 -3.584) 3.645 5.370 ( -0.964 0.000 -0.182) 0.981 5.436 ( 4.195 0.000 2.106) 4.694 5.530 ( 1.870 0.000 4.554) 4.923 5.578 ( 0.710 0.000 0.816) 1.082 5.641 ( 5.598 0.000 -0.757) 5.649 5.675 ( 3.582 0.000 5.564) 6.617 5.801 ( 1.251 0.000 2.210) 2.540 6.439 ( -1.353 0.000 -1.375) 1.929 6.470 ( -2.321 0.000 -6.445) 6.850 6.530 ( 1.354 0.000 -0.838) 1.592 6.641 ( 0.348 0.000 -2.726) 2.748 6.653 ( 6.286 0.000 -3.137) 7.025 6.751 ( -4.036 0.000 -5.133) 6.530 6.844 ( 5.694 0.000 3.774) 6.831 6.867 ( 1.067 0.000 -0.330) 1.117 6.892 ( 0.852 0.000 -2.573) 2.711 6.934 ( -6.951 0.000 4.139) 8.089 7.024 ( 8.364 0.000 3.104) 8.922 7.062 ( -2.150 0.000 -9.461) 9.702 7.065 ( -0.177 0.000 6.122) 6.124 7.112 ( 3.974 0.000 -4.446) 5.963 7.198 ( 3.884 0.000 1.826) 4.292 7.235 ( 5.060 0.000 5.339) 7.355 7.345 ( -0.624 0.000 0.789) 1.006 7.405 ( 0.669 0.000 1.481) 1.625 7.498 ( -1.459 0.000 -1.990) 2.468 7.556 ( -2.976 0.000 -1.852) 3.505 7.600 ( 1.164 0.000 4.138) 4.299 7.679 ( -0.302 0.000 -2.867) 2.883 7.734 ( -0.832 0.000 -0.816) 1.166 7.764 ( 4.492 0.000 2.916) 5.355 7.802 ( 4.712 0.000 -0.830) 4.784 7.838 ( -0.224 0.000 6.392) 6.396 7.849 ( -2.606 0.000 -0.220) 2.615 7.907 ( 6.050 0.000 3.622) 7.051 8.028 ( 2.732 0.000 -6.478) 7.031 8.069 ( 7.930 0.000 2.525) 8.322 8.137 ( 5.322 0.000 -4.270) 6.823 8.182 ( 8.126 0.000 -2.878) 8.620 8.271 ( 0.295 0.000 4.730) 4.739 8.427 ( 2.825 0.000 -1.342) 3.128 8.427 ( -3.164 0.000 -1.934) 3.708 8.562 ( -3.678 0.000 6.472) 7.444 8.600 ( 1.991 0.000 9.946) 10.144 8.637 ( -2.945 0.000 -1.980) 3.548 8.656 ( -0.722 0.000 0.833) 1.103 8.918 ( 3.929 0.000 -8.256) 9.143 8.933 ( 1.778 0.000 -5.621) 5.896 9.086 ( -0.244 0.000 5.016) 5.022 9.135 ( -1.431 0.000 5.246) 5.437 9.203 ( -1.352 0.000 1.385) 1.935 9.292 ( -4.309 0.000 0.662) 4.360 9.326 ( -0.978 0.000 -3.616) 3.746 9.409 ( -3.008 0.000 -4.295) 5.244 9.527 ( 1.283 0.000 -1.414) 1.910 9.681 ( -13.539 0.000 -1.734) 13.650 9.859 ( 3.559 0.000 -4.834) 6.003 9.910 ( -13.202 0.000 0.090) 13.202 10.083 ( 3.849 0.000 -3.828) 5.428 10.192 ( -2.655 0.000 -0.254) 2.667 10.198 ( -4.860 0.000 3.219) 5.830 10.261 ( -1.396 0.000 2.700) 3.039 10.455 ( -10.455 0.000 -6.500) 12.311 10.568 ( 8.046 0.000 -1.705) 8.225 10.837 ( -3.688 0.000 13.953) 14.433 10.874 ( -6.412 0.000 15.191) 16.489 11.339 ( 3.851 0.000 0.521) 3.886 11.391 ( 0.416 0.000 -8.820) 8.830 11.609 ( 0.772 0.000 -0.753) 1.078 11.802 ( 1.958 0.000 0.438) 2.007 12.026 ( 10.827 0.000 -0.876) 10.863 12.339 ( -6.365 0.000 -1.817) 6.620 12.619 ( -6.589 0.000 -1.454) 6.747 13.456 ( -0.216 0.000 -0.767) 0.797 13.508 ( 0.166 0.000 -0.775) 0.792 13.566 ( 0.118 0.000 1.191) 1.197 13.567 ( 1.526 0.000 1.682) 2.271 13.590 ( -0.849 0.000 0.120) 0.857 13.688 ( 0.758 0.000 1.082) 1.321 13.799 ( -2.677 0.000 -0.055) 2.677 13.926 ( -6.483 0.000 0.085) 6.483 15.131 ( 1.895 0.000 -0.179) 1.903 15.180 ( 3.652 0.000 -0.369) 3.670 15.192 ( 1.100 0.000 -2.099) 2.369 15.252 ( 3.734 0.000 -1.650) 4.083 15.640 ( -0.245 0.000 3.050) 3.060 15.744 ( 0.735 0.000 1.102) 1.324 15.753 ( -2.266 0.000 -1.380) 2.653 15.775 ( 1.144 0.000 0.079) 1.147 17.004 ( 0.236 0.000 -0.578) 0.624 17.024 ( 0.374 0.000 -0.357) 0.517 17.123 ( -1.763 0.000 -1.199) 2.132 17.161 ( -1.396 0.000 0.623) 1.529 17.368 ( -0.142 0.000 0.275) 0.310 17.387 ( 0.339 0.000 -0.283) 0.441 17.485 ( -1.511 0.000 -0.609) 1.629 17.495 ( -1.387 0.000 0.619) 1.519 17.706 ( 1.276 0.000 0.287) 1.308 17.718 ( -5.849 0.000 0.849) 5.910 17.748 ( 1.873 0.000 -0.016) 1.874 17.803 ( -1.923 0.000 0.196) 1.933 19.412 ( 0.272 0.000 -0.111) 0.294 19.414 ( 0.207 0.000 -0.040) 0.211 19.425 ( 1.130 0.000 0.199) 1.148 19.609 ( -2.063 0.000 -0.775) 2.204 20.008 ( 2.557 0.000 0.452) 2.597 20.014 ( 1.637 0.000 -0.235) 1.653 20.025 ( -0.253 0.000 2.021) 2.037 20.097 ( 2.895 0.000 -1.642) 3.328 20.257 ( 0.091 0.000 0.057) 0.107 20.292 ( -0.257 0.000 0.085) 0.270 20.323 ( 0.099 0.000 0.147) 0.177 20.345 ( 0.001 0.000 -0.578) 0.578 21.191 ( 1.323 0.000 -0.053) 1.324 21.287 ( -0.687 0.000 0.144) 0.702 21.288 ( -0.797 0.000 0.047) 0.798 21.303 ( -0.532 0.000 -0.153) 0.554 22.002 ( -0.115 0.000 0.026) 0.118 22.008 ( -0.015 0.000 0.009) 0.017 22.048 ( 0.004 0.000 -0.016) 0.017 22.051 ( 0.004 0.000 -0.006) 0.007 23.666 ( -1.151 0.000 0.230) 1.174 23.672 ( 0.136 0.000 0.134) 0.191 23.724 ( 1.269 0.000 -0.400) 1.330 23.773 ( 0.467 0.000 -0.041) 0.469 26.638 ( -3.162 0.000 0.913) 3.291 26.678 ( -0.680 0.000 0.263) 0.729 26.684 ( -0.016 0.000 0.280) 0.280 26.697 ( -4.982 0.000 -0.269) 4.990 26.761 ( 0.539 0.000 -0.759) 0.931 26.835 ( 0.961 0.000 -0.043) 0.962 26.926 ( 1.240 0.000 -1.732) 2.130 26.949 ( 0.941 0.000 -2.117) 2.317 27.067 ( 2.693 0.000 1.558) 3.111 27.075 ( 2.887 0.000 1.582) 3.292 27.082 ( 0.860 0.000 0.199) 0.883 27.124 ( 0.014 0.000 -0.099) 0.100 30.539 ( 0.006 0.000 0.383) 0.383 30.540 ( 0.005 0.000 0.071) 0.071 30.602 ( -0.015 0.000 0.033) 0.036 30.603 ( -0.040 0.000 -0.046) 0.061 31.760 ( 0.368 0.000 0.188) 0.413 31.777 ( 0.097 0.000 -0.964) 0.969 31.993 ( 0.147 0.000 0.131) 0.197 32.182 ( -3.936 0.000 -0.174) 3.940 32.615 ( 0.411 0.000 0.736) 0.843 32.663 ( -0.230 0.000 3.601) 3.608 32.867 ( -0.542 0.000 0.018) 0.543 32.920 ( 1.207 0.000 -0.830) 1.465 33.087 ( 0.438 0.000 1.507) 1.569 33.170 ( 11.342 0.000 -1.226) 11.408 33.173 ( 1.456 0.000 -0.145) 1.463 33.460 ( -1.832 0.000 -0.924) 2.052 33.490 ( -1.415 0.000 0.356) 1.459 33.688 ( 1.541 0.000 -3.658) 3.969 33.864 ( -3.355 0.000 0.301) 3.368 33.997 ( -4.506 0.000 0.411) 4.525 34.161 ( 0.758 0.000 -0.200) 0.784 34.610 ( 2.546 0.000 0.235) 2.557 34.822 ( 9.748 0.000 -1.136) 9.814 35.521 ( -7.039 0.000 -0.014) 7.039 35.963 ( 0.109 0.000 -0.605) 0.614 35.976 ( 0.005 0.000 -0.416) 0.416 36.098 ( 0.216 0.000 0.053) 0.222 36.116 ( 0.180 0.000 -0.003) 0.180 37.884 ( 0.758 0.000 0.070) 0.761 37.937 ( 1.784 0.000 0.072) 1.786 37.993 ( -1.284 0.000 -0.112) 1.289 38.368 ( -0.857 0.000 1.135) 1.422 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 24.362 0.000 -0.269) 24.364 1.315 ( 25.822 0.000 -1.096) 25.845 1.844 ( -17.150 0.000 0.652) 17.163 1.898 ( -16.963 0.000 0.279) 16.965 2.020 ( 10.711 0.000 -1.555) 10.823 2.043 ( 7.214 0.000 -1.526) 7.373 2.252 ( 8.928 0.000 1.511) 9.055 2.324 ( 3.068 0.000 0.286) 3.081 2.356 ( -4.783 0.000 0.583) 4.818 2.432 ( 16.458 0.000 8.114) 18.350 2.486 ( 13.885 0.000 -7.077) 15.584 2.532 ( -11.033 0.000 -0.488) 11.044 2.688 ( 1.346 0.000 -0.400) 1.405 2.701 ( 5.479 0.000 -2.392) 5.979 2.736 ( -0.677 0.000 -2.821) 2.901 2.756 ( 1.603 0.000 4.049) 4.355 2.769 ( -5.154 0.000 2.334) 5.658 2.878 ( -2.115 0.000 -5.308) 5.714 2.905 ( -1.787 0.000 1.159) 2.130 2.923 ( 8.323 0.000 -1.301) 8.424 2.948 ( -3.294 0.000 1.210) 3.509 3.050 ( -0.363 0.000 -0.529) 0.641 3.080 ( -0.243 0.000 0.012) 0.244 3.092 ( -0.904 0.000 -0.169) 0.920 3.104 ( -2.058 0.000 0.705) 2.175 3.118 ( -7.343 0.000 1.964) 7.601 3.218 ( -0.501 0.000 -1.819) 1.887 3.221 ( -0.688 0.000 -2.060) 2.172 3.307 ( -0.014 0.000 0.342) 0.342 3.394 ( -0.433 0.000 -0.512) 0.671 3.433 ( 0.891 0.000 1.469) 1.718 3.448 ( -2.224 0.000 1.403) 2.630 3.493 ( -2.015 0.000 -2.944) 3.567 3.515 ( 2.292 0.000 -3.732) 4.379 3.528 ( -12.353 0.000 2.317) 12.569 3.560 ( 0.087 0.000 2.774) 2.775 3.615 ( -10.995 0.000 1.133) 11.053 3.675 ( -0.579 0.000 0.920) 1.087 3.734 ( 3.250 0.000 4.079) 5.215 3.774 ( 1.748 0.000 0.628) 1.858 3.813 ( 0.001 0.000 -0.149) 0.149 3.835 ( 0.471 0.000 0.002) 0.471 3.908 ( 0.061 0.000 -1.424) 1.426 3.928 ( -3.689 0.000 -1.030) 3.830 3.985 ( -8.798 0.000 -0.117) 8.799 4.035 ( 2.670 0.000 -1.096) 2.886 4.087 ( 1.225 0.000 1.594) 2.011 4.116 ( -0.362 0.000 -1.454) 1.499 4.117 ( 5.347 0.000 -1.765) 5.631 4.141 ( 2.733 0.000 -2.043) 3.412 4.196 ( -1.106 0.000 3.442) 3.616 4.207 ( 4.694 0.000 -4.448) 6.467 4.264 ( 1.029 0.000 1.645) 1.941 4.296 ( -1.806 0.000 2.551) 3.125 4.319 ( 2.134 0.000 -1.212) 2.454 4.349 ( 2.463 0.000 -3.723) 4.464 4.364 ( -3.486 0.000 1.589) 3.832 4.401 ( 0.321 0.000 -1.146) 1.191 4.419 ( -2.381 0.000 4.219) 4.845 4.452 ( -1.040 0.000 -2.062) 2.310 4.522 ( 0.809 0.000 1.349) 1.573 4.523 ( -2.566 0.000 -1.834) 3.154 4.555 ( -4.272 0.000 0.301) 4.283 4.656 ( -5.141 0.000 1.970) 5.505 4.738 ( -1.949 0.000 -0.681) 2.064 4.746 ( -2.326 0.000 -1.121) 2.582 4.960 ( 0.579 0.000 0.306) 0.655 5.001 ( 0.207 0.000 -1.065) 1.085 5.131 ( -5.224 0.000 0.534) 5.251 5.268 ( 2.479 0.000 -2.524) 3.538 5.308 ( 0.235 0.000 -1.900) 1.914 5.337 ( -1.833 0.000 1.653) 2.468 5.487 ( 0.827 0.000 0.047) 0.828 5.586 ( 2.187 0.000 3.048) 3.752 5.600 ( 0.931 0.000 1.565) 1.821 5.729 ( 2.187 0.000 -0.794) 2.327 5.745 ( 2.098 0.000 2.250) 3.076 5.839 ( 1.834 0.000 0.957) 2.069 6.436 ( -0.777 0.000 -2.451) 2.572 6.461 ( 3.476 0.000 3.232) 4.746 6.540 ( -0.122 0.000 -0.879) 0.888 6.584 ( -5.402 0.000 -5.692) 7.848 6.701 ( -0.168 0.000 -2.107) 2.114 6.766 ( 3.041 0.000 -1.146) 3.249 6.794 ( -4.724 0.000 2.687) 5.435 6.895 ( 0.907 0.000 -0.811) 1.216 6.914 ( 1.580 0.000 1.316) 2.057 6.977 ( 4.993 0.000 -6.479) 8.180 7.019 ( -1.359 0.000 -4.028) 4.252 7.049 ( -1.715 0.000 7.214) 7.415 7.139 ( 1.998 0.000 -0.944) 2.210 7.220 ( 7.311 0.000 -0.521) 7.329 7.308 ( 0.529 0.000 1.585) 1.671 7.355 ( 5.729 0.000 5.691) 8.075 7.367 ( 4.710 0.000 2.343) 5.261 7.410 ( -0.016 0.000 1.657) 1.657 7.452 ( -2.888 0.000 -2.315) 3.701 7.483 ( -4.119 0.000 -5.251) 6.674 7.592 ( -1.160 0.000 3.540) 3.726 7.654 ( -1.541 0.000 -2.188) 2.676 7.692 ( -1.642 0.000 1.988) 2.578 7.734 ( -3.613 0.000 -0.532) 3.652 7.863 ( 1.597 0.000 0.968) 1.868 7.916 ( 6.062 0.000 3.158) 6.835 7.954 ( -0.398 0.000 1.222) 1.285 7.973 ( 8.626 0.000 -1.676) 8.787 8.101 ( 3.631 0.000 -6.056) 7.061 8.182 ( -0.933 0.000 1.262) 1.569 8.188 ( -3.400 0.000 5.509) 6.474 8.317 ( 2.894 0.000 -1.487) 3.253 8.323 ( 5.520 0.000 1.575) 5.741 8.384 ( -1.079 0.000 -2.976) 3.166 8.452 ( -0.785 0.000 -0.074) 0.788 8.568 ( 5.924 0.000 1.087) 6.023 8.570 ( -0.826 0.000 0.603) 1.023 8.677 ( 1.952 0.000 2.886) 3.484 8.685 ( 2.705 0.000 1.858) 3.282 8.978 ( 1.328 0.000 -6.504) 6.638 9.003 ( 3.597 0.000 -7.897) 8.678 9.038 ( -4.100 0.000 7.649) 8.679 9.084 ( 0.191 0.000 5.150) 5.153 9.178 ( -0.722 0.000 1.678) 1.826 9.226 ( -1.925 0.000 -0.447) 1.976 9.280 ( -5.979 0.000 -2.329) 6.416 9.357 ( -10.598 0.000 -3.376) 11.123 9.436 ( 4.489 0.000 -0.392) 4.506 9.558 ( 1.261 0.000 -0.620) 1.406 9.691 ( -4.867 0.000 3.408) 5.942 9.880 ( -18.588 0.000 -1.846) 18.680 9.932 ( 4.069 0.000 -11.450) 12.151 10.085 ( -5.743 0.000 10.355) 11.841 10.165 ( 2.074 0.000 -3.120) 3.746 10.205 ( -1.630 0.000 0.583) 1.731 10.367 ( -0.521 0.000 1.802) 1.876 10.723 ( 4.856 0.000 0.988) 4.955 10.777 ( -1.685 0.000 1.357) 2.164 10.833 ( 0.087 0.000 2.421) 2.423 11.394 ( -0.030 0.000 -2.080) 2.080 11.451 ( 5.230 0.000 0.413) 5.246 11.629 ( 0.691 0.000 -0.436) 0.817 11.868 ( 4.346 0.000 1.055) 4.472 12.160 ( -9.318 0.000 -0.218) 9.321 12.190 ( 4.193 0.000 -0.591) 4.234 12.456 ( -6.069 0.000 -0.588) 6.097 13.453 ( -0.065 0.000 -0.419) 0.424 13.513 ( 0.260 0.000 -0.260) 0.368 13.563 ( -0.234 0.000 0.172) 0.291 13.578 ( -0.153 0.000 0.408) 0.436 13.590 ( 0.481 0.000 0.954) 1.069 13.704 ( 0.569 0.000 1.053) 1.197 13.748 ( -1.593 0.000 -0.622) 1.710 13.833 ( -2.022 0.000 -0.303) 2.045 15.166 ( 1.063 0.000 0.184) 1.078 15.215 ( 0.728 0.000 -1.347) 1.532 15.258 ( 2.685 0.000 0.051) 2.685 15.341 ( 3.586 0.000 -1.789) 4.008 15.636 ( 0.289 0.000 6.070) 6.077 15.683 ( -3.726 0.000 -4.507) 5.848 15.763 ( 1.013 0.000 1.266) 1.622 15.787 ( -0.205 0.000 -0.435) 0.481 17.011 ( 0.352 0.000 -0.715) 0.797 17.029 ( 0.049 0.000 0.131) 0.140 17.084 ( -1.425 0.000 -0.872) 1.670 17.134 ( -0.873 0.000 0.406) 0.963 17.367 ( -0.017 0.000 -0.209) 0.209 17.394 ( 0.210 0.000 0.089) 0.228 17.456 ( -0.864 0.000 -0.820) 1.191 17.467 ( -0.940 0.000 0.870) 1.281 17.612 ( -3.135 0.000 0.758) 3.225 17.743 ( 1.848 0.000 0.331) 1.878 17.766 ( -1.172 0.000 0.056) 1.173 17.770 ( -0.015 0.000 -0.199) 0.200 19.416 ( 0.143 0.000 -0.029) 0.146 19.419 ( 0.144 0.000 -0.064) 0.158 19.454 ( 1.306 0.000 0.192) 1.320 19.562 ( -1.864 0.000 -0.303) 1.889 20.026 ( 0.149 0.000 0.775) 0.790 20.046 ( 1.000 0.000 0.090) 1.004 20.055 ( 1.419 0.000 -0.079) 1.421 20.148 ( 1.549 0.000 -0.575) 1.653 20.261 ( 0.251 0.000 0.057) 0.257 20.284 ( -0.431 0.000 0.065) 0.436 20.325 ( 0.077 0.000 0.103) 0.129 20.345 ( -0.013 0.000 -0.179) 0.180 21.222 ( 1.316 0.000 -0.069) 1.317 21.269 ( -0.926 0.000 0.108) 0.932 21.273 ( -0.474 0.000 0.000) 0.474 21.292 ( -0.354 0.000 -0.066) 0.360 22.000 ( -0.063 0.000 0.013) 0.064 22.007 ( -0.019 0.000 0.008) 0.020 22.048 ( 0.002 0.000 -0.009) 0.009 22.051 ( 0.003 0.000 -0.001) 0.003 23.648 ( -0.443 0.000 0.093) 0.453 23.675 ( 0.081 0.000 0.079) 0.113 23.746 ( 0.607 0.000 -0.144) 0.624 23.782 ( 0.277 0.000 -0.022) 0.277 26.588 ( -1.305 0.000 0.569) 1.424 26.613 ( -2.416 0.000 -0.364) 2.443 26.666 ( -0.332 0.000 0.125) 0.355 26.684 ( -0.002 0.000 0.129) 0.129 26.772 ( 0.383 0.000 -0.386) 0.544 26.851 ( 0.444 0.000 -0.027) 0.445 26.938 ( 0.198 0.000 -0.307) 0.365 26.962 ( 0.260 0.000 -0.929) 0.965 27.102 ( 0.791 0.000 0.202) 0.816 27.121 ( -0.254 0.000 -0.142) 0.291 27.122 ( 1.803 0.000 0.210) 1.815 27.126 ( 1.440 0.000 0.756) 1.627 30.539 ( 0.003 0.000 0.078) 0.078 30.540 ( 0.002 0.000 0.043) 0.043 30.601 ( -0.009 0.000 0.032) 0.033 30.602 ( -0.027 0.000 -0.041) 0.049 31.767 ( 0.182 0.000 0.104) 0.209 31.779 ( 0.058 0.000 -0.233) 0.240 32.001 ( 0.597 0.000 0.147) 0.615 32.102 ( -2.788 0.000 -0.169) 2.793 32.622 ( 0.189 0.000 0.348) 0.396 32.658 ( -0.168 0.000 0.791) 0.809 32.863 ( 0.034 0.000 -0.042) 0.054 32.936 ( 0.326 0.000 -0.444) 0.551 33.103 ( 0.800 0.000 0.737) 1.087 33.204 ( 1.110 0.000 0.209) 1.130 33.429 ( 11.482 0.000 -0.990) 11.525 33.429 ( -0.587 0.000 -0.688) 0.905 33.449 ( -1.935 0.000 0.213) 1.947 33.667 ( -5.605 0.000 -0.015) 5.605 33.820 ( 1.693 0.000 -1.449) 2.228 33.899 ( -4.575 0.000 1.232) 4.738 34.172 ( 0.222 0.000 -0.119) 0.252 34.659 ( 1.496 0.000 0.147) 1.503 35.065 ( 12.675 0.000 -1.953) 12.824 35.323 ( -11.410 0.000 1.987) 11.582 35.965 ( 0.059 0.000 -0.297) 0.303 35.976 ( 0.007 0.000 -0.256) 0.256 36.102 ( 0.136 0.000 0.025) 0.139 36.120 ( 0.110 0.000 -0.001) 0.110 37.901 ( 0.697 0.000 0.072) 0.701 37.965 ( -0.980 0.000 -0.097) 0.985 37.972 ( 1.127 0.000 0.039) 1.127 38.351 ( -0.593 0.000 0.286) 0.658 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 31.069 0.000) 31.069 0.762 ( 0.000 32.795 0.000) 32.795 1.301 ( 0.000 50.441 0.000) 50.441 1.387 ( 0.000 -25.844 0.000) 25.844 1.487 ( 0.000 -24.668 0.000) 24.668 2.227 ( 0.000 6.737 0.000) 6.737 2.300 ( 0.000 -15.153 0.000) 15.153 2.351 ( 0.000 -6.801 0.000) 6.801 2.485 ( 0.000 4.879 0.000) 4.879 2.503 ( 0.000 -0.639 0.000) 0.639 2.511 ( 0.000 3.692 0.000) 3.692 2.564 ( 0.000 -0.565 0.000) 0.565 2.640 ( 0.000 4.780 0.000) 4.780 2.708 ( 0.000 1.661 0.000) 1.661 2.712 ( 0.000 -14.139 0.000) 14.139 2.795 ( 0.000 1.490 0.000) 1.490 2.853 ( 0.000 0.157 0.000) 0.157 2.859 ( 0.000 -7.516 0.000) 7.516 2.890 ( 0.000 8.007 0.000) 8.007 2.941 ( 0.000 -6.538 0.000) 6.538 2.941 ( 0.000 -0.934 0.000) 0.934 3.047 ( 0.000 4.398 0.000) 4.398 3.091 ( 0.000 -1.737 0.000) 1.737 3.124 ( 0.000 0.569 0.000) 0.569 3.137 ( 0.000 -10.484 0.000) 10.484 3.192 ( 0.000 -1.572 0.000) 1.572 3.224 ( 0.000 1.887 0.000) 1.887 3.278 ( 0.000 -3.372 0.000) 3.372 3.325 ( 0.000 -0.025 0.000) 0.025 3.361 ( 0.000 -2.820 0.000) 2.820 3.434 ( 0.000 0.550 0.000) 0.550 3.449 ( 0.000 -1.188 0.000) 1.188 3.514 ( 0.000 1.667 0.000) 1.667 3.542 ( 0.000 -0.546 0.000) 0.546 3.587 ( 0.000 2.698 0.000) 2.698 3.649 ( 0.000 0.640 0.000) 0.640 3.653 ( 0.000 0.514 0.000) 0.514 3.663 ( 0.000 -1.932 0.000) 1.932 3.722 ( 0.000 0.147 0.000) 0.147 3.748 ( 0.000 -0.379 0.000) 0.379 3.796 ( 0.000 -0.126 0.000) 0.126 3.811 ( 0.000 -0.501 0.000) 0.501 3.830 ( 0.000 1.712 0.000) 1.712 3.840 ( 0.000 0.182 0.000) 0.182 3.871 ( 0.000 -1.044 0.000) 1.044 3.894 ( 0.000 -2.901 0.000) 2.901 3.987 ( 0.000 0.932 0.000) 0.932 4.018 ( 0.000 -1.446 0.000) 1.446 4.042 ( 0.000 -0.635 0.000) 0.635 4.089 ( 0.000 -1.714 0.000) 1.714 4.104 ( 0.000 3.138 0.000) 3.138 4.168 ( 0.000 -4.641 0.000) 4.641 4.293 ( 0.000 2.735 0.000) 2.735 4.334 ( 0.000 -0.767 0.000) 0.767 4.335 ( 0.000 4.138 0.000) 4.138 4.401 ( 0.000 1.790 0.000) 1.790 4.417 ( 0.000 -1.895 0.000) 1.895 4.458 ( 0.000 -4.589 0.000) 4.589 4.567 ( 0.000 0.951 0.000) 0.951 4.586 ( 0.000 -1.537 0.000) 1.537 4.680 ( 0.000 10.551 0.000) 10.551 4.708 ( 0.000 1.468 0.000) 1.468 4.873 ( 0.000 10.573 0.000) 10.573 4.891 ( 0.000 5.946 0.000) 5.946 4.965 ( 0.000 4.717 0.000) 4.717 4.975 ( 0.000 5.749 0.000) 5.749 5.023 ( 0.000 -2.066 0.000) 2.066 5.170 ( 0.000 -1.040 0.000) 1.040 5.200 ( 0.000 -2.850 0.000) 2.850 5.218 ( 0.000 -10.747 0.000) 10.747 5.269 ( 0.000 -0.691 0.000) 0.691 5.301 ( 0.000 -2.865 0.000) 2.865 5.401 ( 0.000 3.280 0.000) 3.280 5.506 ( 0.000 -4.947 0.000) 4.947 5.529 ( 0.000 1.943 0.000) 1.943 5.581 ( 0.000 -2.238 0.000) 2.238 5.647 ( 0.000 3.509 0.000) 3.509 5.738 ( 0.000 -3.831 0.000) 3.831 6.367 ( 0.000 1.721 0.000) 1.721 6.422 ( 0.000 -3.748 0.000) 3.748 6.521 ( 0.000 0.552 0.000) 0.552 6.550 ( 0.000 -1.413 0.000) 1.413 6.755 ( 0.000 1.812 0.000) 1.812 6.775 ( 0.000 4.618 0.000) 4.618 6.817 ( 0.000 -2.826 0.000) 2.826 6.864 ( 0.000 -4.200 0.000) 4.200 6.893 ( 0.000 5.875 0.000) 5.875 6.971 ( 0.000 0.566 0.000) 0.566 6.982 ( 0.000 -2.646 0.000) 2.646 7.016 ( 0.000 -1.413 0.000) 1.413 7.103 ( 0.000 1.727 0.000) 1.727 7.109 ( 0.000 0.688 0.000) 0.688 7.172 ( 0.000 3.302 0.000) 3.302 7.309 ( 0.000 -3.935 0.000) 3.935 7.353 ( 0.000 6.424 0.000) 6.424 7.385 ( 0.000 3.521 0.000) 3.521 7.420 ( 0.000 -1.247 0.000) 1.247 7.509 ( 0.000 -5.876 0.000) 5.876 7.634 ( 0.000 6.071 0.000) 6.071 7.694 ( 0.000 3.339 0.000) 3.339 7.701 ( 0.000 2.060 0.000) 2.060 7.751 ( 0.000 -1.791 0.000) 1.791 7.759 ( 0.000 -1.841 0.000) 1.841 7.799 ( 0.000 2.687 0.000) 2.687 7.835 ( 0.000 -4.468 0.000) 4.468 7.907 ( 0.000 -2.967 0.000) 2.967 8.001 ( 0.000 6.074 0.000) 6.074 8.119 ( 0.000 3.098 0.000) 3.098 8.126 ( 0.000 0.563 0.000) 0.563 8.192 ( 0.000 0.517 0.000) 0.517 8.198 ( 0.000 -3.017 0.000) 3.017 8.248 ( 0.000 -8.177 0.000) 8.177 8.531 ( 0.000 -3.230 0.000) 3.230 8.587 ( 0.000 -4.867 0.000) 4.867 8.591 ( 0.000 3.494 0.000) 3.494 8.616 ( 0.000 2.303 0.000) 2.303 8.745 ( 0.000 1.237 0.000) 1.237 8.799 ( 0.000 -4.194 0.000) 4.194 8.949 ( 0.000 2.031 0.000) 2.031 9.030 ( 0.000 -4.016 0.000) 4.016 9.107 ( 0.000 -2.619 0.000) 2.619 9.124 ( 0.000 -1.062 0.000) 1.062 9.350 ( 0.000 0.428 0.000) 0.428 9.417 ( 0.000 -2.600 0.000) 2.600 9.515 ( 0.000 9.271 0.000) 9.271 9.623 ( 0.000 5.006 0.000) 5.006 9.727 ( 0.000 -4.215 0.000) 4.215 9.797 ( 0.000 -3.978 0.000) 3.978 10.101 ( 0.000 4.038 0.000) 4.038 10.131 ( 0.000 -0.294 0.000) 0.294 10.134 ( 0.000 0.257 0.000) 0.257 10.195 ( 0.000 -3.133 0.000) 3.133 10.462 ( 0.000 -0.802 0.000) 0.802 10.466 ( 0.000 -2.515 0.000) 2.515 10.856 ( 0.000 8.132 0.000) 8.132 10.964 ( 0.000 -3.634 0.000) 3.634 11.131 ( 0.000 7.930 0.000) 7.930 11.324 ( 0.000 -2.921 0.000) 2.921 11.425 ( 0.000 3.410 0.000) 3.410 11.502 ( 0.000 -1.310 0.000) 1.310 11.598 ( 0.000 -1.011 0.000) 1.011 11.629 ( 0.000 -7.724 0.000) 7.724 12.558 ( 0.000 5.591 0.000) 5.591 12.656 ( 0.000 -2.679 0.000) 2.679 13.462 ( 0.000 0.496 0.000) 0.496 13.492 ( 0.000 -2.227 0.000) 2.227 13.529 ( 0.000 1.622 0.000) 1.622 13.568 ( 0.000 -1.502 0.000) 1.502 13.628 ( 0.000 2.159 0.000) 2.159 13.666 ( 0.000 -1.125 0.000) 1.125 13.925 ( 0.000 0.627 0.000) 0.627 13.935 ( 0.000 -0.212 0.000) 0.212 15.091 ( 0.000 -0.598 0.000) 0.598 15.099 ( 0.000 -1.395 0.000) 1.395 15.231 ( 0.000 2.165 0.000) 2.165 15.244 ( 0.000 0.982 0.000) 0.982 15.664 ( 0.000 0.776 0.000) 0.776 15.705 ( 0.000 -2.415 0.000) 2.415 15.738 ( 0.000 0.477 0.000) 0.477 15.758 ( 0.000 -1.158 0.000) 1.158 17.005 ( 0.000 0.289 0.000) 0.289 17.014 ( 0.000 -0.439 0.000) 0.439 17.147 ( 0.000 0.397 0.000) 0.397 17.159 ( 0.000 -0.503 0.000) 0.503 17.372 ( 0.000 0.228 0.000) 0.228 17.379 ( 0.000 -0.312 0.000) 0.312 17.507 ( 0.000 0.217 0.000) 0.217 17.511 ( 0.000 -0.096 0.000) 0.096 17.705 ( 0.000 0.497 0.000) 0.497 17.715 ( 0.000 -0.300 0.000) 0.300 17.809 ( 0.000 0.975 0.000) 0.975 17.821 ( 0.000 0.039 0.000) 0.039 19.411 ( 0.000 -0.035 0.000) 0.035 19.412 ( 0.000 -0.070 0.000) 0.070 19.501 ( 0.000 1.151 0.000) 1.151 19.528 ( 0.000 -1.045 0.000) 1.045 19.976 ( 0.000 0.413 0.000) 0.413 19.978 ( 0.000 0.149 0.000) 0.149 20.052 ( 0.000 0.555 0.000) 0.555 20.074 ( 0.000 -1.143 0.000) 1.143 20.264 ( 0.000 0.709 0.000) 0.709 20.286 ( 0.000 -1.142 0.000) 1.142 20.333 ( 0.000 0.475 0.000) 0.475 20.341 ( 0.000 -0.201 0.000) 0.201 21.190 ( 0.000 1.136 0.000) 1.136 21.224 ( 0.000 -1.801 0.000) 1.801 21.334 ( 0.000 2.034 0.000) 2.034 21.374 ( 0.000 -1.299 0.000) 1.299 22.004 ( 0.000 0.068 0.000) 0.068 22.006 ( 0.000 -0.089 0.000) 0.089 22.049 ( 0.000 0.057 0.000) 0.057 22.050 ( 0.000 -0.054 0.000) 0.054 23.676 ( 0.000 0.484 0.000) 0.484 23.691 ( 0.000 -0.735 0.000) 0.735 23.746 ( 0.000 0.758 0.000) 0.758 23.762 ( 0.000 -0.519 0.000) 0.519 26.680 ( 0.000 -0.014 0.000) 0.014 26.683 ( 0.000 -0.244 0.000) 0.244 26.702 ( 0.000 0.834 0.000) 0.834 26.726 ( 0.000 -1.273 0.000) 1.273 26.800 ( 0.000 1.587 0.000) 1.587 26.833 ( 0.000 -1.282 0.000) 1.282 26.907 ( 0.000 0.806 0.000) 0.806 26.921 ( 0.000 -0.348 0.000) 0.348 27.005 ( 0.000 0.354 0.000) 0.354 27.021 ( 0.000 -0.952 0.000) 0.952 27.093 ( 0.000 1.139 0.000) 1.139 27.115 ( 0.000 -0.709 0.000) 0.709 30.540 ( 0.000 0.065 0.000) 0.065 30.540 ( 0.000 0.012 0.000) 0.012 30.602 ( 0.000 -0.017 0.000) 0.017 30.602 ( 0.000 -0.058 0.000) 0.058 31.754 ( 0.000 0.182 0.000) 0.182 31.756 ( 0.000 0.022 0.000) 0.022 32.283 ( 0.000 4.286 0.000) 4.286 32.391 ( 0.000 -4.304 0.000) 4.304 32.613 ( 0.000 0.466 0.000) 0.466 32.635 ( 0.000 -1.340 0.000) 1.340 32.910 ( 0.000 1.417 0.000) 1.417 32.938 ( 0.000 -0.835 0.000) 0.835 33.025 ( 0.000 0.270 0.000) 0.270 33.033 ( 0.000 -0.355 0.000) 0.355 33.156 ( 0.000 -0.009 0.000) 0.009 33.156 ( 0.000 -0.009 0.000) 0.009 33.497 ( 0.000 1.112 0.000) 1.112 33.532 ( 0.000 -1.736 0.000) 1.736 33.948 ( 0.000 3.488 0.000) 3.488 34.023 ( 0.000 -2.595 0.000) 2.595 34.405 ( 0.000 0.850 0.000) 0.850 34.436 ( 0.000 -1.726 0.000) 1.726 34.623 ( 0.000 2.919 0.000) 2.919 34.684 ( 0.000 -2.079 0.000) 2.079 35.965 ( 0.000 0.266 0.000) 0.266 35.972 ( 0.000 -0.293 0.000) 0.293 36.101 ( 0.000 0.445 0.000) 0.445 36.112 ( 0.000 -0.417 0.000) 0.417 37.935 ( 0.000 1.659 0.000) 1.659 37.980 ( 0.000 -1.976 0.000) 1.976 38.079 ( 0.000 0.536 0.000) 0.536 38.088 ( 0.000 -0.284 0.000) 0.284 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 19.916 22.127 -1.512) 29.808 0.994 ( 21.250 21.497 -0.266) 30.228 1.489 ( 7.472 -22.211 -1.053) 23.458 1.517 ( 11.373 -22.394 -0.089) 25.117 1.807 ( 33.214 32.231 -1.601) 46.310 2.181 ( -6.175 5.102 -0.664) 8.037 2.270 ( -5.739 -1.595 1.815) 6.227 2.327 ( -5.738 -0.222 -1.675) 5.982 2.493 ( -1.144 4.834 0.054) 4.968 2.516 ( 5.030 -1.062 0.672) 5.184 2.542 ( 0.325 1.474 2.186) 2.656 2.566 ( 1.202 3.616 -3.138) 4.936 2.593 ( -2.202 -4.178 1.373) 4.918 2.698 ( -2.329 4.805 -1.028) 5.438 2.747 ( -1.381 2.351 -3.096) 4.126 2.787 ( 0.584 -2.979 1.037) 3.208 2.834 ( -0.085 -0.116 2.592) 2.596 2.863 ( -1.331 2.213 1.375) 2.925 2.892 ( -3.744 -6.486 1.438) 7.626 2.913 ( 3.320 -8.099 -0.292) 8.758 2.978 ( 2.863 -6.954 0.506) 7.537 3.037 ( -0.019 -3.816 -0.059) 3.816 3.059 ( -1.162 -0.895 -5.494) 5.686 3.112 ( -0.254 -2.580 0.046) 2.593 3.145 ( 0.139 -1.167 -2.070) 2.380 3.165 ( -2.106 -4.604 -2.043) 5.459 3.237 ( -0.907 1.177 0.395) 1.538 3.268 ( -0.118 2.259 -3.874) 4.486 3.301 ( -1.079 -1.711 4.439) 4.879 3.358 ( -0.630 -2.999 0.668) 3.137 3.428 ( -1.931 0.245 -2.031) 2.813 3.456 ( -0.915 -0.762 -0.099) 1.195 3.480 ( 1.916 0.029 4.028) 4.460 3.487 ( -2.683 -1.026 -5.377) 6.096 3.527 ( -5.053 2.730 2.643) 6.322 3.605 ( -1.914 -3.260 4.546) 5.912 3.618 ( -3.296 1.212 1.895) 3.991 3.673 ( -4.463 -2.522 1.538) 5.352 3.691 ( 3.751 1.242 2.898) 4.900 3.729 ( 1.115 -0.820 2.527) 2.881 3.796 ( -1.133 1.405 0.661) 1.923 3.836 ( 0.951 3.034 -0.877) 3.298 3.854 ( -1.447 -2.419 3.119) 4.204 3.901 ( 4.394 -0.906 1.372) 4.692 3.929 ( 3.567 0.748 -3.164) 4.826 3.954 ( 4.908 -1.661 -3.892) 6.481 4.035 ( 3.140 0.192 -0.767) 3.238 4.059 ( 2.210 -1.794 -3.305) 4.362 4.082 ( 3.261 -2.257 -0.073) 3.967 4.101 ( 1.895 -2.933 2.183) 4.118 4.123 ( 2.081 1.804 -4.890) 5.612 4.161 ( 2.635 -1.098 -0.101) 2.856 4.277 ( -1.716 -0.139 -1.511) 2.291 4.312 ( -0.288 -0.559 -1.383) 1.519 4.350 ( -2.709 1.644 -1.750) 3.620 4.353 ( -4.831 0.461 0.197) 4.857 4.411 ( -0.310 -0.160 -1.740) 1.775 4.458 ( -1.363 -4.756 0.191) 4.952 4.516 ( -5.091 2.325 2.021) 5.950 4.567 ( -2.622 -1.405 -1.311) 3.251 4.647 ( -2.438 6.150 1.609) 6.808 4.679 ( -2.478 2.313 0.299) 3.403 4.766 ( -11.104 8.535 -0.665) 14.021 4.835 ( -5.739 2.746 -0.635) 6.393 4.883 ( -5.253 8.617 1.122) 10.154 4.981 ( -4.760 4.814 1.036) 6.848 5.008 ( 0.576 4.431 -1.107) 4.604 5.042 ( -6.912 -1.288 0.031) 7.031 5.146 ( -2.042 -4.644 -1.215) 5.217 5.213 ( -0.547 -4.086 0.607) 4.167 5.270 ( 1.102 -2.911 -1.737) 3.565 5.315 ( 0.028 -4.308 -1.269) 4.491 5.448 ( 3.655 3.381 0.919) 5.063 5.543 ( 2.540 -2.133 1.897) 3.821 5.574 ( 2.595 0.674 2.954) 3.989 5.603 ( 3.881 -1.842 0.785) 4.367 5.700 ( 3.954 2.186 3.153) 5.510 5.763 ( 2.329 -2.811 2.384) 4.360 6.389 ( 0.921 -0.471 -1.252) 1.624 6.424 ( 1.494 -3.329 -2.761) 4.576 6.533 ( -0.232 3.181 -4.831) 5.789 6.612 ( 3.946 -2.361 -3.913) 6.038 6.750 ( -1.736 3.932 -4.110) 5.947 6.809 ( 1.984 -1.000 2.633) 3.445 6.840 ( 1.739 -0.625 1.114) 2.157 6.850 ( 3.234 -1.068 1.963) 3.931 6.908 ( -5.232 2.912 -0.427) 6.003 6.934 ( -1.159 1.138 -1.923) 2.517 7.009 ( 5.482 -0.809 2.132) 5.937 7.026 ( 0.635 -0.147 -3.781) 3.836 7.104 ( 2.003 1.735 -0.106) 2.652 7.120 ( 1.239 1.514 -1.212) 2.301 7.224 ( 3.771 0.639 3.897) 5.460 7.276 ( -0.063 -0.856 1.128) 1.417 7.368 ( 1.824 1.005 5.037) 5.451 7.391 ( -0.485 2.534 -1.996) 3.262 7.479 ( 0.735 -6.406 2.743) 7.008 7.517 ( 0.265 -5.535 0.646) 5.579 7.664 ( 2.451 7.179 -1.059) 7.660 7.687 ( -1.126 3.807 -2.882) 4.906 7.755 ( 4.392 2.734 -1.517) 5.391 7.757 ( 0.178 0.414 -1.675) 1.735 7.826 ( 2.961 2.276 0.174) 3.739 7.839 ( 0.402 0.600 1.321) 1.505 7.869 ( 3.507 -0.596 0.080) 3.558 7.938 ( 5.613 -2.233 0.248) 6.046 7.988 ( 1.288 2.607 7.102) 7.674 8.137 ( 1.560 -4.132 2.297) 4.978 8.180 ( 1.837 2.983 -2.280) 4.180 8.201 ( 6.245 1.137 0.157) 6.350 8.270 ( 3.155 0.779 -1.140) 3.444 8.311 ( 6.026 -4.272 -1.376) 7.514 8.445 ( -5.934 -1.242 2.604) 6.598 8.513 ( -4.941 -2.733 -2.111) 6.028 8.518 ( -4.560 -0.782 5.149) 6.922 8.608 ( -2.935 -3.506 1.886) 4.946 8.769 ( 2.471 3.985 2.768) 5.445 8.844 ( 2.290 -4.245 1.103) 4.948 8.971 ( 2.163 3.230 -7.486) 8.435 9.051 ( 1.235 -2.947 0.437) 3.225 9.109 ( 0.910 0.520 2.344) 2.568 9.157 ( 2.261 -2.301 3.374) 4.668 9.316 ( -3.202 1.232 -1.451) 3.725 9.369 ( -1.952 -1.113 -5.848) 6.265 9.463 ( -3.039 7.708 1.306) 8.388 9.588 ( -3.516 1.193 -3.651) 5.207 9.688 ( -8.450 -0.479 -4.187) 9.443 9.743 ( -3.294 -5.254 -2.547) 6.704 9.981 ( -8.548 2.601 0.234) 8.938 10.034 ( -8.026 -2.597 -0.515) 8.451 10.162 ( 0.915 2.232 2.271) 3.313 10.217 ( 1.272 -2.069 -3.379) 4.161 10.444 ( -3.514 4.545 -2.802) 6.392 10.491 ( -6.135 0.744 -0.699) 6.219 10.632 ( -7.315 10.223 1.263) 12.634 10.803 ( -10.509 -2.343 18.167) 21.118 10.913 ( -1.849 3.084 9.243) 9.918 11.102 ( -1.847 -12.573 -5.178) 13.722 11.531 ( 2.028 4.830 -0.371) 5.252 11.592 ( 1.180 -1.182 0.994) 1.943 11.810 ( 10.341 1.128 -4.609) 11.378 11.893 ( 13.951 -6.515 -4.031) 15.916 12.454 ( -8.578 6.754 -0.705) 10.941 12.577 ( -7.727 -3.660 -0.727) 8.581 13.461 ( -0.006 0.667 -0.795) 1.037 13.494 ( 0.232 -2.125 -1.773) 2.778 13.532 ( 0.113 1.117 2.346) 2.600 13.566 ( -0.313 -1.488 1.074) 1.862 13.634 ( 0.647 2.405 0.763) 2.605 13.675 ( 0.760 -1.170 0.877) 1.648 13.831 ( -4.334 2.032 -0.041) 4.787 13.879 ( -4.834 -2.403 -0.024) 5.399 15.118 ( 2.130 -0.453 -0.739) 2.299 15.128 ( 2.303 -1.504 -0.651) 2.827 15.264 ( 2.859 2.595 -1.784) 4.254 15.281 ( 3.388 1.077 -1.817) 3.992 15.653 ( -0.416 1.272 3.144) 3.417 15.705 ( 0.188 -2.784 1.215) 3.043 15.762 ( 0.392 0.433 0.055) 0.586 15.773 ( 0.262 -0.365 -0.853) 0.964 17.007 ( 0.120 0.326 -0.514) 0.621 17.018 ( 0.206 -0.518 -0.411) 0.693 17.130 ( -1.476 0.576 -1.001) 1.874 17.147 ( -1.093 -0.852 -0.045) 1.386 17.372 ( -0.031 0.319 0.343) 0.470 17.381 ( 0.177 -0.422 -0.061) 0.462 17.489 ( -1.452 0.211 -0.435) 1.530 17.494 ( -1.397 -0.159 0.377) 1.456 17.670 ( -4.490 -0.177 0.827) 4.569 17.694 ( -3.309 -1.916 0.428) 3.847 17.804 ( 1.601 1.999 0.343) 2.584 17.815 ( 1.013 0.804 0.018) 1.293 19.413 ( 0.228 0.020 0.135) 0.266 19.413 ( 0.211 -0.055 0.045) 0.222 19.477 ( -0.393 3.180 -0.058) 3.204 19.550 ( -0.152 -3.391 -0.324) 3.410 20.003 ( 2.012 0.193 0.502) 2.082 20.008 ( 2.276 -0.085 1.704) 2.845 20.060 ( 0.402 1.367 -0.123) 1.430 20.089 ( 1.823 -0.972 -1.688) 2.668 20.266 ( 0.109 0.705 0.099) 0.720 20.284 ( -0.121 -0.767 0.101) 0.783 20.331 ( -0.163 0.511 0.034) 0.537 20.340 ( -0.068 -0.331 -0.263) 0.428 21.203 ( 1.155 1.029 -0.022) 1.548 21.236 ( 0.717 -1.831 0.063) 1.967 21.319 ( -1.197 1.254 -0.002) 1.734 21.334 ( -2.466 0.374 -0.048) 2.494 22.003 ( -0.097 0.113 0.028) 0.152 22.006 ( -0.039 -0.118 0.016) 0.125 22.049 ( 0.006 0.058 -0.016) 0.061 22.051 ( 0.006 -0.053 -0.010) 0.054 23.666 ( -0.773 0.185 0.159) 0.810 23.672 ( -0.990 -0.239 0.132) 1.027 23.748 ( 0.535 1.201 -0.203) 1.330 23.768 ( 0.491 -0.530 -0.085) 0.727 26.633 ( -3.641 0.272 0.611) 3.702 26.655 ( -3.478 -1.467 0.298) 3.787 26.687 ( -0.286 0.193 0.187) 0.392 26.692 ( -1.296 -0.211 0.037) 1.314 26.791 ( 0.094 1.938 -0.659) 2.049 26.829 ( 0.288 -1.059 -0.398) 1.168 26.935 ( 1.137 0.646 -1.391) 1.909 26.947 ( 0.995 -0.311 -1.844) 2.118 27.051 ( 3.227 -0.357 1.599) 3.619 27.059 ( 3.327 -0.806 0.978) 3.561 27.100 ( 0.690 0.909 0.328) 1.187 27.118 ( 0.217 -0.542 0.019) 0.584 30.540 ( 0.024 0.052 0.161) 0.171 30.540 ( 0.014 0.022 0.075) 0.079 30.601 ( -0.029 -0.016 0.021) 0.039 30.602 ( -0.038 -0.055 -0.015) 0.068 31.762 ( 0.456 0.136 0.124) 0.492 31.766 ( 0.699 -0.252 -0.167) 0.761 32.140 ( -8.650 6.313 -0.424) 10.717 32.197 ( -6.098 0.364 -0.225) 6.113 32.618 ( 0.294 0.413 1.078) 1.192 32.640 ( 0.004 -1.426 2.441) 2.827 32.886 ( -0.360 1.322 0.282) 1.399 32.912 ( 0.649 -0.802 -0.092) 1.036 33.088 ( 1.193 0.342 0.942) 1.558 33.112 ( 2.964 -1.852 0.089) 3.496 33.270 ( 10.289 5.458 -1.826) 11.789 33.413 ( 5.564 -5.822 -1.680) 8.227 33.485 ( -0.695 1.495 -0.300) 1.676 33.561 ( 4.655 -5.983 -1.800) 7.792 33.902 ( -3.990 3.048 0.470) 5.043 33.968 ( -4.529 -2.307 0.372) 5.097 34.304 ( -0.374 9.702 -1.084) 9.770 34.534 ( 2.264 -8.184 -1.541) 8.630 34.828 ( 11.118 1.884 0.302) 11.280 35.009 ( 17.526 -18.369 1.898) 25.460 35.966 ( 0.085 0.244 -0.263) 0.369 35.973 ( 0.034 -0.265 -0.224) 0.349 36.103 ( 0.180 0.408 0.104) 0.458 36.113 ( 0.115 -0.360 0.091) 0.389 37.927 ( -0.808 1.671 -0.240) 1.872 37.954 ( -0.422 -0.390 -0.094) 0.583 38.047 ( 0.265 5.328 0.280) 5.342 38.199 ( 3.770 -8.305 0.698) 9.148 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 22.865 12.684 -0.461) 26.151 1.473 ( 22.538 12.480 -0.674) 25.772 1.770 ( 15.335 -15.590 -1.737) 21.937 1.798 ( 12.452 -13.097 0.486) 18.078 1.944 ( -12.918 3.414 -0.164) 13.363 2.039 ( -15.483 9.249 2.047) 18.151 2.116 ( -11.996 -7.677 -1.606) 14.333 2.260 ( -2.382 -3.180 0.354) 3.989 2.494 ( -0.023 3.112 -0.962) 3.257 2.523 ( -1.037 1.862 1.162) 2.428 2.571 ( -2.182 3.487 -0.283) 4.123 2.613 ( 1.644 -1.199 0.428) 2.079 2.651 ( 6.003 -0.625 1.399) 6.195 2.675 ( 6.873 6.362 2.471) 9.686 2.708 ( -2.196 0.162 -2.075) 3.025 2.755 ( -2.151 -0.526 -3.741) 4.347 2.801 ( -2.302 -0.064 -0.306) 2.323 2.848 ( 0.932 -5.218 1.595) 5.536 2.887 ( 2.678 6.442 2.445) 7.393 2.945 ( 3.050 0.828 -1.671) 3.575 2.997 ( 3.476 0.379 -2.309) 4.190 3.038 ( 1.152 2.112 -3.651) 4.372 3.057 ( -0.374 -1.221 1.529) 1.992 3.096 ( -0.323 2.956 1.769) 3.460 3.144 ( 0.425 -0.250 -0.475) 0.685 3.190 ( 0.066 -2.759 1.377) 3.084 3.223 ( -0.941 2.742 -0.805) 3.008 3.286 ( -0.489 0.077 2.917) 2.959 3.295 ( 2.616 4.679 -3.755) 6.545 3.372 ( 2.256 -0.968 -0.860) 2.601 3.407 ( -1.364 0.220 -1.612) 2.123 3.422 ( -1.453 -3.096 2.442) 4.203 3.442 ( -1.217 -3.036 -3.379) 4.703 3.476 ( 3.403 -3.659 -2.235) 5.474 3.549 ( -3.450 1.250 3.799) 5.282 3.574 ( 0.808 1.348 1.372) 2.086 3.636 ( 3.257 -3.197 1.608) 4.839 3.679 ( 6.215 -6.135 0.706) 8.761 3.692 ( -4.344 -0.660 1.180) 4.550 3.754 ( -2.346 0.909 0.402) 2.548 3.786 ( -1.000 -2.193 1.461) 2.819 3.805 ( 3.271 -0.802 3.272) 4.696 3.848 ( -0.357 0.122 0.422) 0.566 3.924 ( -5.634 1.862 0.198) 5.937 3.968 ( -1.888 -5.209 -1.013) 5.633 3.982 ( 0.950 2.864 -1.292) 3.283 4.008 ( -7.870 1.557 -0.595) 8.044 4.072 ( -1.273 -3.359 -1.896) 4.061 4.096 ( -2.272 -3.106 -2.576) 4.630 4.115 ( -7.272 -4.271 -0.262) 8.438 4.193 ( 2.519 -2.231 -1.381) 3.637 4.204 ( 4.250 0.995 -2.373) 4.968 4.238 ( 2.501 -2.906 0.177) 3.838 4.250 ( 1.532 0.820 -1.989) 2.641 4.296 ( 0.628 1.594 -0.909) 1.939 4.332 ( 1.741 0.500 3.544) 3.980 4.385 ( -1.224 -0.249 -0.985) 1.591 4.412 ( -2.720 -2.207 1.533) 3.823 4.446 ( -6.420 1.896 -1.506) 6.861 4.451 ( -0.079 1.443 -1.788) 2.300 4.563 ( -4.760 3.598 0.913) 6.036 4.589 ( -4.718 -0.724 3.015) 5.645 4.639 ( -1.326 4.587 0.985) 4.876 4.726 ( -1.918 -2.456 -0.743) 3.204 4.784 ( -2.670 9.190 0.003) 9.570 4.892 ( -1.833 6.977 -0.708) 7.249 4.947 ( -1.711 -0.970 0.648) 2.071 5.061 ( 1.500 2.111 -0.437) 2.626 5.096 ( -1.963 -0.441 -0.326) 2.038 5.217 ( -0.179 -3.326 -0.567) 3.379 5.294 ( 1.491 -0.925 -0.537) 1.835 5.321 ( -0.078 -2.505 -0.606) 2.579 5.504 ( 1.384 3.634 -0.257) 3.897 5.589 ( 1.300 -1.650 0.816) 2.253 5.621 ( 1.663 2.034 2.959) 3.957 5.679 ( 2.163 -3.316 -0.136) 3.961 5.774 ( 2.244 1.943 1.720) 3.430 5.818 ( 2.122 -1.638 1.151) 2.917 6.412 ( 1.232 0.353 -0.940) 1.589 6.457 ( 0.559 -3.427 -1.502) 3.783 6.535 ( 1.856 3.764 -0.779) 4.268 6.614 ( -3.538 -1.804 -0.441) 3.996 6.733 ( 0.004 2.833 -2.798) 3.982 6.780 ( -3.754 3.570 -0.161) 5.183 6.822 ( 0.215 -3.316 -1.292) 3.566 6.881 ( 0.372 4.357 0.359) 4.388 6.916 ( 1.052 -3.950 -2.397) 4.739 6.963 ( 2.487 0.185 4.044) 4.751 7.021 ( 1.240 3.042 -4.057) 5.220 7.092 ( -0.278 1.300 -1.330) 1.880 7.167 ( 2.766 2.559 0.839) 3.861 7.223 ( 8.315 -0.356 1.085) 8.393 7.274 ( 0.260 -6.165 -0.390) 6.183 7.317 ( 2.848 -4.143 1.673) 5.299 7.354 ( -2.109 1.985 0.425) 2.927 7.434 ( 2.471 0.408 6.270) 6.752 7.452 ( -1.389 -1.618 -3.825) 4.379 7.519 ( -0.966 -2.217 5.721) 6.211 7.622 ( -3.798 4.438 -3.879) 7.012 7.677 ( -1.112 -1.466 -1.706) 2.509 7.754 ( 0.316 11.681 1.013) 11.729 7.779 ( -2.334 4.705 -0.605) 5.287 7.882 ( 5.435 1.191 -0.898) 5.636 7.915 ( 2.923 0.739 -1.226) 3.254 7.927 ( 3.425 1.041 1.014) 3.720 8.022 ( -0.418 0.426 4.564) 4.603 8.109 ( 8.585 -2.417 0.575) 8.938 8.198 ( 2.936 -1.119 1.386) 3.434 8.199 ( -0.173 2.184 -1.981) 2.954 8.278 ( -3.691 0.324 1.589) 4.032 8.309 ( -1.324 -2.486 0.310) 2.834 8.337 ( -1.819 -3.619 0.581) 4.092 8.404 ( 1.986 0.354 -0.985) 2.245 8.470 ( 3.463 -3.006 -0.534) 4.616 8.506 ( 0.302 -7.359 -1.448) 7.506 8.543 ( -0.515 -8.769 1.582) 8.925 8.830 ( 3.403 5.128 2.656) 6.703 8.877 ( 1.321 -1.654 1.559) 2.629 9.016 ( 2.015 1.826 -5.417) 6.061 9.064 ( -0.491 -1.436 0.679) 1.663 9.115 ( -3.038 4.631 0.695) 5.582 9.210 ( 3.197 -1.301 -0.201) 3.458 9.246 ( 0.731 4.425 4.607) 6.430 9.346 ( -4.133 1.449 0.826) 4.457 9.386 ( -5.831 3.714 -4.203) 8.091 9.471 ( -5.648 -2.805 -0.907) 6.371 9.574 ( 3.114 2.392 -3.364) 5.171 9.642 ( -2.571 -2.718 0.007) 3.742 9.776 ( -13.288 -2.515 -0.992) 13.561 9.861 ( -3.735 -6.173 -6.578) 9.763 10.159 ( -1.823 4.935 5.097) 7.325 10.222 ( -1.522 0.371 -0.274) 1.591 10.284 ( -1.752 6.073 0.113) 6.321 10.370 ( -3.083 -0.654 5.281) 6.150 10.694 ( 3.400 -1.267 0.271) 3.638 10.724 ( -0.158 -3.496 -0.989) 3.637 10.904 ( 0.124 6.912 2.444) 7.332 11.139 ( 2.608 -12.776 -0.675) 13.057 11.567 ( 1.347 3.206 0.027) 3.477 11.614 ( 0.662 -1.220 0.037) 1.388 11.972 ( 7.000 6.602 -0.173) 9.624 12.096 ( 4.960 -4.193 -0.358) 6.504 12.252 ( -8.422 4.411 -0.648) 9.530 12.378 ( -8.709 -5.720 -0.730) 10.445 13.462 ( 0.022 0.905 -0.382) 0.982 13.501 ( 0.315 -2.437 -1.094) 2.690 13.529 ( -0.295 0.872 1.487) 1.748 13.558 ( -0.274 -1.382 0.475) 1.487 13.648 ( 0.454 2.549 0.465) 2.631 13.691 ( 0.557 -1.176 0.636) 1.449 13.773 ( -1.304 1.792 -0.323) 2.239 13.813 ( -1.371 -1.523 -0.230) 2.062 15.159 ( 1.304 -0.145 -0.202) 1.327 15.172 ( 1.379 -1.465 -0.399) 2.051 15.325 ( 2.169 3.053 -0.765) 3.822 15.358 ( 2.879 0.290 -1.578) 3.296 15.656 ( 1.009 2.071 4.177) 4.770 15.710 ( -1.861 0.777 -2.059) 2.882 15.728 ( -0.163 -1.461 1.037) 1.799 15.768 ( -1.175 -1.726 -0.832) 2.248 17.009 ( 0.070 0.090 -0.512) 0.524 17.019 ( -0.068 -0.651 -0.089) 0.661 17.099 ( -1.055 1.090 -0.641) 1.647 17.124 ( -0.804 -0.884 -0.018) 1.196 17.371 ( -0.020 0.409 0.005) 0.410 17.384 ( 0.081 -0.625 0.073) 0.634 17.462 ( -0.735 0.271 -0.598) 0.986 17.468 ( -0.765 -0.073 0.575) 0.959 17.576 ( -2.936 -0.263 0.765) 3.046 17.631 ( -1.858 -4.767 0.132) 5.118 17.836 ( 0.896 3.020 0.173) 3.155 17.846 ( 1.063 2.045 0.034) 2.306 19.418 ( 0.213 0.038 0.018) 0.218 19.419 ( 0.202 0.012 0.007) 0.203 19.479 ( 0.378 2.036 0.048) 2.071 19.532 ( -0.963 -2.254 -0.159) 2.456 20.036 ( 0.781 0.509 0.605) 1.111 20.044 ( 0.900 -0.215 1.031) 1.385 20.078 ( 0.972 1.989 -0.810) 2.357 20.126 ( 1.237 -1.820 -0.605) 2.282 20.269 ( 0.152 0.612 0.071) 0.634 20.281 ( -0.148 -0.345 0.046) 0.378 20.328 ( -0.079 0.327 0.034) 0.338 20.338 ( -0.078 -0.473 -0.113) 0.492 21.229 ( 1.095 0.604 -0.027) 1.251 21.247 ( 0.334 -0.932 0.046) 0.991 21.292 ( -1.261 0.613 0.016) 1.402 21.296 ( -0.884 0.178 -0.056) 0.904 22.001 ( -0.053 0.150 0.015) 0.160 22.005 ( -0.029 -0.151 0.011) 0.154 22.049 ( 0.003 0.060 -0.009) 0.061 22.051 ( 0.004 -0.051 -0.004) 0.052 23.652 ( -0.370 0.297 0.076) 0.481 23.663 ( -0.099 -0.685 0.058) 0.695 23.761 ( 0.416 0.922 -0.089) 1.015 23.777 ( 0.304 -0.477 -0.039) 0.566 26.576 ( -1.382 -0.404 0.338) 1.479 26.587 ( -2.055 -1.291 -0.102) 2.429 26.678 ( -0.293 0.494 0.076) 0.579 26.684 ( -0.085 -0.055 0.100) 0.142 26.798 ( 0.281 1.853 -0.336) 1.904 26.837 ( 0.292 -1.288 -0.185) 1.334 26.946 ( 0.208 0.591 -0.300) 0.695 26.958 ( 0.200 -0.381 -0.711) 0.831 27.103 ( 1.102 0.165 0.186) 1.130 27.111 ( 0.817 -0.481 -0.110) 0.954 27.124 ( 1.320 -0.040 0.676) 1.483 27.125 ( 0.793 -0.053 0.210) 0.822 30.540 ( 0.009 0.058 0.054) 0.079 30.541 ( 0.007 0.033 0.041) 0.053 30.601 ( -0.017 -0.029 0.018) 0.038 30.601 ( -0.025 -0.050 -0.019) 0.059 31.770 ( 0.224 0.258 0.061) 0.347 31.776 ( 0.237 -0.202 -0.075) 0.320 32.049 ( -1.462 3.123 0.004) 3.449 32.099 ( -2.768 -0.861 -0.100) 2.901 32.623 ( 0.114 0.223 0.396) 0.468 32.639 ( -0.056 -1.166 0.610) 1.317 32.887 ( 0.172 1.765 -0.042) 1.774 32.924 ( 0.319 -1.144 -0.219) 1.207 33.114 ( 1.026 1.084 0.580) 1.601 33.159 ( 1.481 -2.774 0.346) 3.163 33.404 ( 0.805 0.125 -0.591) 1.007 33.422 ( -1.233 -1.226 -0.078) 1.741 33.544 ( 7.356 6.006 -1.062) 9.556 33.661 ( 1.734 -2.799 -0.979) 3.435 33.811 ( -2.557 1.097 0.006) 2.782 33.864 ( -4.985 -2.474 0.880) 5.634 34.315 ( 0.581 11.159 -0.417) 11.182 34.581 ( 1.547 -8.689 -0.521) 8.841 35.040 ( 8.101 0.098 -0.703) 8.132 35.152 ( -1.038 -9.428 1.571) 9.615 35.968 ( 0.050 0.210 -0.188) 0.286 35.973 ( 0.022 -0.225 -0.159) 0.276 36.107 ( 0.120 0.364 0.034) 0.385 36.116 ( 0.100 -0.341 0.027) 0.357 37.921 ( 0.054 1.372 -0.058) 1.375 37.950 ( -0.176 -0.999 -0.084) 1.018 38.060 ( 0.570 6.620 0.162) 6.646 38.238 ( 0.602 -8.044 0.263) 8.071 ======================= Grid point 15 (7/36) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -1.337 0.000 24.344) 24.380 0.540 ( -26.023 0.000 28.288) 38.437 0.787 ( 13.136 0.000 39.553) 41.677 1.745 ( -0.399 0.000 -3.674) 3.696 2.015 ( -2.337 0.000 -2.451) 3.387 2.052 ( 0.829 0.000 -0.204) 0.854 2.113 ( 0.246 0.000 -6.922) 6.926 2.350 ( 2.602 0.000 -3.178) 4.108 2.383 ( -0.797 0.000 -4.295) 4.368 2.403 ( -1.426 0.000 -5.448) 5.631 2.464 ( 1.996 0.000 -10.531) 10.718 2.508 ( 2.194 0.000 0.428) 2.235 2.597 ( 0.877 0.000 1.508) 1.745 2.610 ( -4.414 0.000 -8.315) 9.414 2.657 ( 3.106 0.000 -11.087) 11.514 2.788 ( -2.871 0.000 -0.943) 3.022 2.794 ( -3.262 0.000 -10.003) 10.521 2.856 ( 4.370 0.000 2.104) 4.850 2.910 ( -1.454 0.000 -2.739) 3.101 2.935 ( 0.104 0.000 0.643) 0.651 2.972 ( 0.158 0.000 -4.754) 4.756 2.975 ( -0.142 0.000 -2.531) 2.535 3.079 ( -0.173 0.000 -7.385) 7.387 3.102 ( -1.252 0.000 -5.700) 5.836 3.199 ( -1.328 0.000 2.015) 2.413 3.210 ( -2.373 0.000 -2.514) 3.457 3.293 ( -3.021 0.000 -1.808) 3.521 3.311 ( -0.476 0.000 -1.053) 1.155 3.380 ( 4.346 0.000 -1.855) 4.725 3.420 ( 0.199 0.000 -1.330) 1.345 3.435 ( -1.147 0.000 -0.416) 1.220 3.503 ( 4.618 0.000 5.521) 7.197 3.515 ( -0.292 0.000 -1.332) 1.364 3.517 ( 2.352 0.000 3.279) 4.035 3.581 ( 2.267 0.000 1.223) 2.576 3.673 ( -0.266 0.000 -5.193) 5.200 3.685 ( 1.794 0.000 -1.862) 2.586 3.693 ( 2.249 0.000 -0.513) 2.307 3.727 ( 2.748 0.000 -1.177) 2.989 3.757 ( -2.071 0.000 -3.184) 3.798 3.798 ( -6.565 0.000 1.255) 6.684 3.841 ( 0.464 0.000 3.580) 3.610 3.865 ( -2.203 0.000 2.138) 3.070 3.876 ( -1.939 0.000 -1.778) 2.630 3.879 ( 3.517 0.000 6.501) 7.392 3.905 ( 1.658 0.000 0.482) 1.726 3.986 ( -0.932 0.000 3.306) 3.434 4.026 ( -1.476 0.000 -2.458) 2.867 4.061 ( 3.956 0.000 -1.416) 4.202 4.111 ( 2.543 0.000 5.312) 5.890 4.214 ( -4.068 0.000 5.361) 6.730 4.232 ( -4.931 0.000 2.082) 5.352 4.318 ( -1.783 0.000 1.000) 2.044 4.327 ( 7.130 0.000 8.860) 11.373 4.339 ( 2.122 0.000 4.411) 4.895 4.426 ( -0.830 0.000 4.859) 4.930 4.447 ( -1.092 0.000 3.631) 3.792 4.487 ( -1.991 0.000 5.791) 6.124 4.604 ( -0.680 0.000 6.843) 6.877 4.616 ( 0.321 0.000 2.136) 2.160 4.659 ( -0.612 0.000 -1.148) 1.301 4.721 ( -1.230 0.000 1.196) 1.716 4.780 ( 1.241 0.000 1.956) 2.316 4.826 ( -4.879 0.000 -1.108) 5.004 4.863 ( -2.454 0.000 2.470) 3.482 4.869 ( 1.342 0.000 5.686) 5.842 5.021 ( 2.916 0.000 -4.163) 5.083 5.183 ( 0.720 0.000 -0.497) 0.875 5.200 ( 0.264 0.000 -3.673) 3.682 5.237 ( -8.162 0.000 -3.246) 8.784 5.262 ( 2.817 0.000 -2.985) 4.105 5.366 ( -2.013 0.000 0.954) 2.228 5.377 ( 4.764 0.000 2.166) 5.233 5.459 ( 2.344 0.000 -4.315) 4.910 5.537 ( 1.147 0.000 -3.534) 3.715 5.576 ( 1.672 0.000 -0.139) 1.678 5.641 ( 4.991 0.000 0.790) 5.053 5.863 ( 2.119 0.000 5.967) 6.332 6.279 ( -3.470 0.000 -5.840) 6.793 6.384 ( -3.040 0.000 -6.666) 7.326 6.476 ( -1.441 0.000 -5.127) 5.326 6.519 ( -5.083 0.000 -6.964) 8.622 6.596 ( -1.928 0.000 -4.519) 4.913 6.749 ( 0.922 0.000 -7.095) 7.155 6.756 ( -1.119 0.000 -4.030) 4.183 6.845 ( 0.299 0.000 0.942) 0.988 6.860 ( 0.892 0.000 -8.449) 8.496 6.959 ( 0.098 0.000 -2.955) 2.957 7.044 ( 4.719 0.000 8.362) 9.601 7.073 ( 1.238 0.000 3.582) 3.790 7.101 ( -6.683 0.000 -2.048) 6.990 7.220 ( 1.590 0.000 3.441) 3.791 7.311 ( 3.430 0.000 1.913) 3.928 7.338 ( -1.116 0.000 2.441) 2.684 7.360 ( 1.881 0.000 6.288) 6.563 7.500 ( -0.489 0.000 -0.714) 0.865 7.514 ( 8.786 0.000 -0.694) 8.813 7.560 ( -3.831 0.000 3.803) 5.399 7.602 ( -4.435 0.000 -0.295) 4.444 7.603 ( -2.455 0.000 -2.525) 3.522 7.642 ( 0.600 0.000 2.621) 2.689 7.744 ( 5.183 0.000 -2.961) 5.969 7.746 ( 3.206 0.000 3.693) 4.890 7.770 ( -0.326 0.000 1.310) 1.350 7.912 ( -0.538 0.000 -1.321) 1.427 7.948 ( 4.780 0.000 0.902) 4.864 7.993 ( -0.751 0.000 -1.644) 1.807 8.096 ( -3.017 0.000 0.706) 3.098 8.096 ( 0.611 0.000 6.935) 6.962 8.124 ( -5.664 0.000 -5.260) 7.730 8.300 ( 1.932 0.000 2.886) 3.473 8.376 ( -0.997 0.000 -1.351) 1.679 8.448 ( -1.757 0.000 -2.362) 2.944 8.509 ( 5.973 0.000 -3.466) 6.906 8.675 ( 3.783 0.000 5.214) 6.442 8.764 ( -4.318 0.000 3.981) 5.873 8.848 ( 0.821 0.000 15.391) 15.413 8.897 ( -1.761 0.000 7.992) 8.183 8.928 ( -1.161 0.000 0.383) 1.222 9.058 ( -0.621 0.000 -1.184) 1.337 9.093 ( 1.973 0.000 -4.550) 4.959 9.097 ( -2.150 0.000 -2.984) 3.678 9.361 ( -0.699 0.000 -2.048) 2.164 9.388 ( -0.217 0.000 3.723) 3.729 9.506 ( -2.396 0.000 6.211) 6.657 9.544 ( -1.354 0.000 2.741) 3.057 9.786 ( -3.534 0.000 -6.186) 7.124 9.797 ( -2.004 0.000 -0.293) 2.026 10.077 ( -0.265 0.000 -6.388) 6.394 10.089 ( 4.440 0.000 3.031) 5.376 10.128 ( 2.225 0.000 0.021) 2.225 10.281 ( 1.948 0.000 3.692) 4.175 10.300 ( -12.835 0.000 -2.944) 13.168 10.465 ( -6.473 0.000 -0.774) 6.519 10.681 ( -7.832 0.000 7.268) 10.685 10.821 ( 31.965 0.000 -3.255) 32.131 10.914 ( 18.857 0.000 -8.232) 20.576 11.286 ( 5.239 0.000 -2.978) 6.026 11.394 ( -5.608 0.000 -1.942) 5.935 11.636 ( -3.469 0.000 3.838) 5.174 11.707 ( -5.435 0.000 -6.476) 8.455 11.891 ( -1.822 0.000 3.337) 3.802 12.080 ( -6.415 0.000 1.552) 6.600 12.588 ( -2.210 0.000 -13.363) 13.545 13.462 ( 0.016 0.000 -2.954) 2.954 13.501 ( 0.353 0.000 -4.604) 4.617 13.620 ( 2.731 0.000 1.320) 3.033 13.650 ( 0.872 0.000 8.274) 8.320 13.721 ( 2.030 0.000 0.478) 2.085 13.762 ( 0.230 0.000 10.286) 10.289 13.802 ( -0.695 0.000 1.803) 1.932 13.899 ( -0.760 0.000 -0.530) 0.926 15.130 ( 0.669 0.000 2.858) 2.935 15.161 ( -1.235 0.000 0.339) 1.281 15.218 ( -0.511 0.000 2.378) 2.432 15.266 ( -2.076 0.000 6.450) 6.775 15.531 ( 1.464 0.000 -8.955) 9.074 15.671 ( -0.991 0.000 -6.653) 6.726 15.690 ( 0.581 0.000 -3.532) 3.579 15.857 ( -0.004 0.000 6.145) 6.145 17.021 ( -0.165 0.000 2.050) 2.056 17.045 ( -0.825 0.000 2.724) 2.847 17.127 ( -0.764 0.000 -0.178) 0.785 17.211 ( -0.148 0.000 3.378) 3.381 17.420 ( 0.856 0.000 4.473) 4.554 17.438 ( -0.140 0.000 5.252) 5.254 17.526 ( -0.652 0.000 1.947) 2.053 17.540 ( 0.545 0.000 2.795) 2.848 17.676 ( 0.374 0.000 -2.159) 2.191 17.698 ( -0.060 0.000 -1.877) 1.878 17.759 ( 1.090 0.000 -3.562) 3.725 17.778 ( -0.255 0.000 -3.963) 3.971 19.404 ( -0.175 0.000 -0.397) 0.434 19.409 ( -0.018 0.000 -0.331) 0.332 19.409 ( 0.169 0.000 -0.397) 0.431 19.523 ( -1.042 0.000 -1.969) 2.228 19.876 ( 0.371 0.000 -7.129) 7.139 19.953 ( 2.142 0.000 -6.955) 7.278 19.974 ( -0.040 0.000 -2.424) 2.424 20.036 ( -1.633 0.000 -3.414) 3.784 20.268 ( 0.053 0.000 1.189) 1.190 20.301 ( 0.052 0.000 0.648) 0.650 20.331 ( 0.144 0.000 0.793) 0.806 20.365 ( -0.551 0.000 -0.010) 0.551 21.136 ( -0.079 0.000 -3.809) 3.810 21.200 ( 0.151 0.000 -5.390) 5.392 21.247 ( 0.176 0.000 -4.925) 4.928 21.254 ( -0.282 0.000 -5.339) 5.347 22.006 ( 0.026 0.000 0.344) 0.345 22.011 ( 0.009 0.000 0.408) 0.408 22.048 ( -0.009 0.000 -0.029) 0.030 22.088 ( -0.033 0.000 -0.411) 0.413 23.657 ( 0.230 0.000 -1.181) 1.204 23.666 ( 0.149 0.000 -0.484) 0.506 23.707 ( -0.426 0.000 0.374) 0.567 23.764 ( -0.043 0.000 -0.383) 0.385 26.668 ( 0.018 0.000 -1.293) 1.293 26.674 ( 1.153 0.000 -0.666) 1.331 26.677 ( 0.600 0.000 -0.834) 1.027 26.740 ( -0.658 0.000 -1.044) 1.234 26.746 ( 0.062 0.000 -1.577) 1.578 26.794 ( -0.183 0.000 -2.092) 2.100 26.887 ( -2.132 0.000 -1.455) 2.581 26.925 ( -2.342 0.000 -2.597) 3.498 27.074 ( 2.188 0.000 5.552) 5.968 27.111 ( 0.958 0.000 7.142) 7.206 27.157 ( 0.286 0.000 7.614) 7.619 27.208 ( -0.239 0.000 7.388) 7.391 30.546 ( 0.080 0.000 0.575) 0.581 30.584 ( 0.551 0.000 0.183) 0.580 30.601 ( -0.000 0.000 -0.150) 0.150 30.603 ( -0.017 0.000 -0.045) 0.048 31.763 ( -0.547 0.000 1.086) 1.216 31.772 ( -0.504 0.000 1.393) 1.481 31.980 ( 0.117 0.000 -1.221) 1.226 32.183 ( -0.160 0.000 -4.577) 4.580 32.656 ( 0.457 0.000 4.377) 4.401 32.879 ( 1.332 0.000 -0.683) 1.497 32.895 ( -2.284 0.000 0.242) 2.296 32.988 ( 13.663 0.000 -1.077) 13.705 33.046 ( -2.327 0.000 0.867) 2.484 33.082 ( 1.560 0.000 0.055) 1.561 33.184 ( -0.047 0.000 2.576) 2.577 33.491 ( -1.028 0.000 1.018) 1.447 33.528 ( 0.475 0.000 2.508) 2.553 33.580 ( -14.936 0.000 -2.155) 15.090 33.866 ( 0.593 0.000 -3.418) 3.469 34.011 ( 0.176 0.000 -4.288) 4.291 34.149 ( -0.195 0.000 -0.002) 0.195 34.426 ( -0.110 0.000 -3.833) 3.835 34.573 ( 0.204 0.000 -0.548) 0.585 34.693 ( 1.660 0.000 -1.686) 2.366 36.040 ( -0.069 0.000 7.719) 7.720 36.151 ( 0.031 0.000 5.677) 5.677 36.192 ( 0.025 0.000 7.772) 7.772 36.533 ( -1.883 0.000 2.990) 3.534 37.836 ( 0.064 0.000 -3.919) 3.920 37.870 ( 0.241 0.000 -4.533) 4.539 37.946 ( -0.110 0.000 -6.187) 6.188 38.011 ( 1.961 0.000 -6.100) 6.408 ======================= Grid point 16 (8/36) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 30.579 0.000 -1.317) 30.607 0.795 ( 25.700 0.000 12.805) 28.713 1.439 ( 36.259 0.000 18.471) 40.693 1.795 ( 4.571 0.000 -6.086) 7.612 1.978 ( -1.496 0.000 -5.027) 5.245 2.065 ( -3.366 0.000 -6.077) 6.947 2.115 ( 7.844 0.000 5.427) 9.538 2.284 ( -9.165 0.000 -2.908) 9.615 2.349 ( -4.815 0.000 -4.331) 6.476 2.382 ( -0.190 0.000 -4.868) 4.871 2.489 ( -0.767 0.000 -10.802) 10.829 2.544 ( -0.369 0.000 0.559) 0.670 2.582 ( 0.957 0.000 -4.403) 4.506 2.596 ( 0.145 0.000 0.915) 0.926 2.698 ( -0.761 0.000 -1.414) 1.606 2.718 ( 0.063 0.000 -9.493) 9.493 2.738 ( 1.385 0.000 -9.011) 9.117 2.865 ( -1.400 0.000 0.809) 1.617 2.925 ( -0.676 0.000 -6.876) 6.910 2.941 ( 1.864 0.000 2.298) 2.959 2.958 ( -0.953 0.000 -4.051) 4.162 2.996 ( 0.849 0.000 -4.952) 5.024 3.027 ( -7.142 0.000 -5.382) 8.942 3.074 ( 0.233 0.000 -4.252) 4.259 3.140 ( -5.460 0.000 -3.097) 6.277 3.193 ( -2.686 0.000 -3.950) 4.776 3.198 ( -0.017 0.000 1.608) 1.608 3.306 ( -1.242 0.000 -1.100) 1.659 3.366 ( -4.142 0.000 -2.608) 4.894 3.394 ( -2.525 0.000 -1.303) 2.841 3.428 ( -1.648 0.000 -3.674) 4.027 3.441 ( -5.938 0.000 -2.561) 6.466 3.509 ( -1.325 0.000 7.127) 7.249 3.554 ( -4.642 0.000 3.062) 5.561 3.604 ( 1.535 0.000 -0.641) 1.663 3.645 ( 0.900 0.000 1.968) 2.164 3.684 ( 1.283 0.000 -2.916) 3.186 3.688 ( -1.908 0.000 -2.070) 2.815 3.707 ( -3.446 0.000 -2.233) 4.106 3.771 ( 4.569 0.000 -1.204) 4.725 3.777 ( 1.117 0.000 0.785) 1.365 3.872 ( 0.667 0.000 -0.322) 0.741 3.874 ( 6.807 0.000 -2.825) 7.370 3.925 ( 0.053 0.000 5.614) 5.615 3.945 ( 2.459 0.000 -1.240) 2.754 3.981 ( 1.936 0.000 1.177) 2.266 4.019 ( 3.740 0.000 3.306) 4.992 4.038 ( 4.367 0.000 -2.698) 5.134 4.082 ( -6.343 0.000 2.289) 6.743 4.170 ( 0.078 0.000 5.486) 5.487 4.195 ( 6.130 0.000 -4.717) 7.735 4.205 ( 4.809 0.000 0.780) 4.872 4.292 ( -0.826 0.000 1.709) 1.898 4.332 ( -0.240 0.000 2.886) 2.896 4.395 ( -3.089 0.000 4.396) 5.373 4.411 ( -1.959 0.000 9.699) 9.895 4.474 ( 3.015 0.000 2.516) 3.927 4.495 ( 1.019 0.000 7.070) 7.143 4.562 ( -5.571 0.000 2.203) 5.991 4.574 ( 0.187 0.000 10.624) 10.626 4.597 ( -3.222 0.000 3.605) 4.835 4.617 ( -9.898 0.000 2.715) 10.263 4.709 ( -5.435 0.000 7.140) 8.973 4.737 ( -3.405 0.000 -4.165) 5.380 4.817 ( -1.523 0.000 3.149) 3.498 4.841 ( -4.146 0.000 3.648) 5.523 5.000 ( -2.395 0.000 -1.244) 2.699 5.014 ( -9.299 0.000 -2.661) 9.672 5.192 ( 0.114 0.000 -7.471) 7.472 5.194 ( 0.164 0.000 -0.405) 0.437 5.271 ( -4.337 0.000 -0.171) 4.340 5.335 ( 0.309 0.000 -2.930) 2.946 5.455 ( 0.914 0.000 -0.321) 0.969 5.571 ( 6.130 0.000 -4.135) 7.394 5.576 ( 2.987 0.000 -1.017) 3.156 5.611 ( 1.605 0.000 1.950) 2.525 5.790 ( 6.967 0.000 4.963) 8.553 5.880 ( 1.265 0.000 7.164) 7.275 6.327 ( 4.664 0.000 -6.573) 8.060 6.367 ( 1.371 0.000 -4.057) 4.282 6.472 ( 0.958 0.000 -5.110) 5.199 6.517 ( -5.814 0.000 -10.687) 12.167 6.528 ( 5.436 0.000 -8.547) 10.129 6.709 ( -2.064 0.000 1.016) 2.300 6.761 ( 0.745 0.000 -9.157) 9.187 6.835 ( -3.036 0.000 -9.764) 10.225 6.881 ( 2.651 0.000 -1.170) 2.897 6.985 ( -3.191 0.000 3.661) 4.856 6.987 ( 1.668 0.000 -3.987) 4.321 7.156 ( 5.085 0.000 5.795) 7.710 7.172 ( 6.501 0.000 8.421) 10.638 7.206 ( -7.699 0.000 17.951) 19.533 7.296 ( -0.959 0.000 4.183) 4.291 7.351 ( 2.731 0.000 7.556) 8.035 7.363 ( 1.645 0.000 2.126) 2.688 7.391 ( -0.945 0.000 -2.553) 2.722 7.486 ( -1.537 0.000 -0.504) 1.618 7.518 ( -3.831 0.000 -1.066) 3.977 7.622 ( 2.393 0.000 -1.263) 2.706 7.674 ( 2.346 0.000 0.313) 2.367 7.691 ( 3.023 0.000 -2.428) 3.877 7.731 ( -2.650 0.000 0.575) 2.711 7.856 ( 6.595 0.000 4.295) 7.870 7.896 ( 3.278 0.000 -2.786) 4.302 7.922 ( 1.149 0.000 3.736) 3.909 7.996 ( 8.511 0.000 1.862) 8.712 8.023 ( -1.271 0.000 4.524) 4.699 8.048 ( 6.405 0.000 -7.069) 9.539 8.079 ( -1.286 0.000 1.424) 1.919 8.182 ( 6.663 0.000 5.258) 8.488 8.356 ( -0.026 0.000 -4.239) 4.239 8.377 ( -0.262 0.000 5.518) 5.524 8.399 ( 3.003 0.000 -1.264) 3.258 8.615 ( 1.435 0.000 -4.355) 4.585 8.726 ( 1.143 0.000 4.190) 4.343 8.788 ( -3.917 0.000 2.016) 4.406 8.800 ( -4.687 0.000 10.201) 11.226 8.804 ( 5.499 0.000 2.143) 5.902 8.863 ( -3.079 0.000 4.859) 5.753 9.052 ( -1.301 0.000 -7.669) 7.778 9.114 ( 0.062 0.000 -5.561) 5.561 9.141 ( 6.377 0.000 -2.256) 6.764 9.260 ( -6.897 0.000 0.869) 6.951 9.344 ( -2.030 0.000 6.333) 6.650 9.421 ( -6.483 0.000 3.294) 7.272 9.532 ( -0.011 0.000 0.164) 0.164 9.616 ( -10.421 0.000 -5.184) 11.639 9.824 ( -0.948 0.000 1.435) 1.720 9.911 ( -11.281 0.000 -0.097) 11.281 10.042 ( -0.682 0.000 1.859) 1.980 10.211 ( 2.452 0.000 -0.047) 2.452 10.237 ( 4.688 0.000 -4.867) 6.758 10.290 ( -1.957 0.000 5.284) 5.635 10.406 ( -17.558 0.000 3.398) 17.884 10.491 ( 4.844 0.000 -3.627) 6.051 11.157 ( -6.078 0.000 -2.995) 6.776 11.178 ( -0.851 0.000 11.603) 11.634 11.286 ( 6.209 0.000 12.685) 14.123 11.327 ( -1.814 0.000 0.587) 1.906 11.558 ( -0.118 0.000 -3.818) 3.820 11.685 ( 7.236 0.000 -15.546) 17.148 11.986 ( 6.902 0.000 -3.524) 7.749 12.097 ( 0.448 0.000 -11.843) 11.852 12.479 ( -7.346 0.000 -12.808) 14.766 13.467 ( 0.393 0.000 -2.780) 2.807 13.469 ( -1.556 0.000 -1.746) 2.338 13.621 ( -1.972 0.000 5.007) 5.381 13.676 ( 1.355 0.000 8.379) 8.488 13.704 ( -1.574 0.000 7.854) 8.010 13.735 ( -1.672 0.000 -3.879) 4.224 13.791 ( 0.516 0.000 7.501) 7.519 13.858 ( -4.357 0.000 -1.418) 4.582 15.157 ( 1.294 0.000 3.188) 3.440 15.180 ( 3.082 0.000 -2.599) 4.032 15.251 ( 3.290 0.000 4.423) 5.512 15.283 ( 2.999 0.000 7.724) 8.286 15.549 ( 0.032 0.000 -8.726) 8.726 15.685 ( 0.854 0.000 -6.809) 6.862 15.699 ( 1.024 0.000 -4.648) 4.759 15.843 ( -1.471 0.000 6.977) 7.130 17.001 ( -1.471 0.000 0.496) 1.552 17.023 ( -1.110 0.000 0.531) 1.231 17.099 ( -1.883 0.000 -0.942) 2.105 17.190 ( -1.775 0.000 2.017) 2.687 17.403 ( -2.444 0.000 2.498) 3.495 17.430 ( -0.691 0.000 4.198) 4.255 17.504 ( -1.238 0.000 1.734) 2.131 17.550 ( 0.360 0.000 4.578) 4.592 17.686 ( 1.151 0.000 -2.186) 2.471 17.724 ( -2.763 0.000 0.016) 2.763 17.730 ( 1.943 0.000 -1.511) 2.461 17.777 ( -0.343 0.000 -2.350) 2.375 19.406 ( 0.251 0.000 -0.514) 0.572 19.410 ( 0.186 0.000 -0.351) 0.398 19.424 ( 1.117 0.000 -0.363) 1.174 19.545 ( 0.333 0.000 -4.226) 4.239 19.911 ( 2.268 0.000 -7.555) 7.888 19.992 ( 0.032 0.000 -5.606) 5.606 20.006 ( 2.404 0.000 -2.829) 3.712 20.035 ( 2.613 0.000 -4.462) 5.171 20.270 ( 0.163 0.000 1.249) 1.259 20.300 ( -0.212 0.000 0.650) 0.684 20.332 ( 0.008 0.000 0.746) 0.746 20.348 ( -0.425 0.000 0.523) 0.674 21.145 ( 0.927 0.000 -4.324) 4.423 21.218 ( 0.441 0.000 -6.071) 6.087 21.236 ( -0.932 0.000 -5.107) 5.192 21.248 ( -0.322 0.000 -5.106) 5.117 22.005 ( -0.115 0.000 0.351) 0.370 22.011 ( -0.014 0.000 0.407) 0.407 22.048 ( -0.018 0.000 -0.060) 0.063 22.064 ( -0.997 0.000 0.612) 1.170 23.656 ( -0.558 0.000 -0.963) 1.113 23.670 ( 0.193 0.000 -0.367) 0.414 23.718 ( 1.216 0.000 -0.085) 1.219 23.769 ( 0.432 0.000 -0.432) 0.611 26.625 ( -3.527 0.000 -1.516) 3.840 26.672 ( 0.203 0.000 -1.162) 1.179 26.677 ( -4.870 0.000 -1.440) 5.079 26.689 ( 0.531 0.000 0.341) 0.632 26.723 ( -0.697 0.000 -1.850) 1.977 26.793 ( 0.107 0.000 -3.172) 3.174 26.895 ( 1.822 0.000 -1.321) 2.251 26.949 ( 2.318 0.000 -0.568) 2.387 27.120 ( 1.868 0.000 4.254) 4.646 27.136 ( 1.685 0.000 6.099) 6.328 27.173 ( 1.104 0.000 7.860) 7.938 27.206 ( -0.038 0.000 7.129) 7.129 30.546 ( -0.009 0.000 0.581) 0.581 30.562 ( -1.126 0.000 1.258) 1.688 30.600 ( -0.053 0.000 -0.227) 0.233 30.602 ( -0.061 0.000 -0.052) 0.080 31.770 ( 0.827 0.000 0.713) 1.092 31.775 ( 0.254 0.000 1.279) 1.304 31.983 ( 0.220 0.000 -1.132) 1.154 32.140 ( -3.452 0.000 -4.029) 5.306 32.667 ( 0.326 0.000 4.512) 4.524 32.858 ( -8.582 0.000 11.617) 14.443 32.865 ( -0.551 0.000 -0.057) 0.554 32.914 ( 1.776 0.000 -0.093) 1.778 33.122 ( 1.608 0.000 1.937) 2.517 33.145 ( 10.237 0.000 -1.505) 10.347 33.181 ( 0.478 0.000 1.436) 1.513 33.457 ( -1.937 0.000 0.662) 2.047 33.516 ( -1.637 0.000 2.471) 2.964 33.571 ( 4.594 0.000 -7.804) 9.056 33.841 ( -2.999 0.000 -2.609) 3.975 33.966 ( -3.712 0.000 -3.309) 4.973 34.156 ( 0.625 0.000 -0.228) 0.665 34.601 ( 2.079 0.000 -1.087) 2.346 34.705 ( 8.996 0.000 -12.088) 15.068 34.998 ( 16.822 0.000 -22.194) 27.848 36.046 ( 0.667 0.000 8.199) 8.226 36.157 ( 0.426 0.000 5.904) 5.920 36.194 ( 0.130 0.000 7.788) 7.789 36.318 ( -10.535 0.000 15.244) 18.530 37.844 ( 0.643 0.000 -4.057) 4.107 37.888 ( 1.404 0.000 -4.926) 5.123 37.931 ( -1.141 0.000 -6.070) 6.177 38.173 ( 5.501 0.000 -14.655) 15.653 ======================= Grid point 17 (9/36) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 28.236 0.000 -6.141) 28.896 1.340 ( 23.932 0.000 7.240) 25.003 1.753 ( -11.656 0.000 -6.339) 13.268 1.875 ( -5.085 0.000 -7.700) 9.228 1.944 ( -6.831 0.000 -1.604) 7.017 2.027 ( 7.699 0.000 1.241) 7.798 2.108 ( -0.321 0.000 -14.189) 14.193 2.276 ( -1.037 0.000 -8.502) 8.565 2.374 ( 0.944 0.000 -1.594) 1.853 2.405 ( 1.490 0.000 2.669) 3.057 2.485 ( -0.131 0.000 -11.363) 11.364 2.540 ( 4.636 0.000 -1.726) 4.947 2.572 ( -4.984 0.000 1.158) 5.117 2.662 ( 2.684 0.000 -4.058) 4.865 2.701 ( -0.068 0.000 -3.410) 3.411 2.752 ( 20.267 0.000 3.074) 20.499 2.785 ( -6.877 0.000 0.114) 6.878 2.835 ( 2.790 0.000 -0.595) 2.853 2.873 ( 1.430 0.000 -3.980) 4.229 2.895 ( -2.651 0.000 -4.074) 4.861 2.920 ( 3.763 0.000 -4.627) 5.964 3.002 ( 0.532 0.000 -2.006) 2.076 3.024 ( 0.927 0.000 -6.613) 6.678 3.066 ( -2.089 0.000 -0.515) 2.151 3.106 ( 1.529 0.000 -1.328) 2.025 3.173 ( -5.640 0.000 2.256) 6.074 3.193 ( 1.157 0.000 -1.250) 1.703 3.203 ( -0.041 0.000 1.819) 1.820 3.310 ( -1.181 0.000 -2.040) 2.357 3.355 ( -1.716 0.000 -3.582) 3.972 3.387 ( -0.375 0.000 -6.276) 6.287 3.389 ( 0.921 0.000 -6.178) 6.246 3.440 ( -3.648 0.000 -1.790) 4.063 3.448 ( -3.328 0.000 1.197) 3.537 3.563 ( -12.482 0.000 0.951) 12.518 3.593 ( -3.384 0.000 -5.757) 6.678 3.658 ( 0.123 0.000 3.649) 3.651 3.694 ( -5.896 0.000 4.332) 7.317 3.734 ( 1.402 0.000 -3.707) 3.963 3.750 ( -0.654 0.000 -4.905) 4.949 3.825 ( -1.932 0.000 4.572) 4.964 3.867 ( 0.504 0.000 1.172) 1.276 3.927 ( 3.454 0.000 -1.540) 3.782 3.942 ( -0.189 0.000 1.619) 1.630 3.973 ( 0.746 0.000 -2.632) 2.736 4.000 ( -0.134 0.000 2.137) 2.141 4.060 ( 2.943 0.000 -2.532) 3.882 4.121 ( 2.038 0.000 1.763) 2.695 4.133 ( 4.384 0.000 -4.097) 6.001 4.151 ( -6.503 0.000 2.630) 7.014 4.212 ( -1.902 0.000 5.220) 5.556 4.270 ( 0.636 0.000 1.488) 1.618 4.310 ( -3.193 0.000 2.452) 4.026 4.321 ( 4.458 0.000 4.269) 6.172 4.327 ( 4.751 0.000 -0.348) 4.764 4.344 ( -0.339 0.000 2.865) 2.885 4.434 ( -3.721 0.000 0.381) 3.741 4.482 ( 2.974 0.000 11.579) 11.955 4.496 ( -0.587 0.000 6.027) 6.056 4.525 ( -2.358 0.000 8.564) 8.883 4.572 ( -1.430 0.000 7.910) 8.038 4.573 ( -2.860 0.000 8.914) 9.361 4.626 ( -0.709 0.000 7.495) 7.529 4.686 ( -0.785 0.000 -4.301) 4.372 4.721 ( -6.000 0.000 4.087) 7.259 4.796 ( -0.159 0.000 6.010) 6.012 4.964 ( 1.676 0.000 -2.157) 2.731 4.982 ( 1.223 0.000 0.825) 1.475 5.142 ( -6.309 0.000 0.865) 6.368 5.213 ( 1.718 0.000 -2.755) 3.246 5.217 ( 2.364 0.000 -6.698) 7.103 5.329 ( -0.792 0.000 -2.177) 2.316 5.447 ( -0.577 0.000 -4.023) 4.064 5.601 ( -2.214 0.000 -4.510) 5.024 5.616 ( -0.248 0.000 -0.151) 0.290 5.686 ( 3.428 0.000 -0.272) 3.439 5.864 ( -1.094 0.000 8.780) 8.848 5.929 ( 2.569 0.000 8.070) 8.469 6.381 ( -2.795 0.000 -13.334) 13.624 6.419 ( 2.925 0.000 -1.632) 3.349 6.464 ( 5.749 0.000 -1.329) 5.900 6.509 ( 2.224 0.000 -0.848) 2.380 6.657 ( -2.832 0.000 -3.770) 4.716 6.685 ( 8.303 0.000 -10.421) 13.324 6.778 ( -1.486 0.000 -4.467) 4.708 6.782 ( 0.646 0.000 -7.788) 7.815 6.906 ( -1.000 0.000 -4.785) 4.889 6.956 ( 0.238 0.000 4.986) 4.991 6.997 ( -0.483 0.000 -5.951) 5.971 7.109 ( -0.583 0.000 13.725) 13.737 7.198 ( 1.174 0.000 2.877) 3.107 7.299 ( 2.510 0.000 9.083) 9.423 7.345 ( -1.433 0.000 -3.676) 3.946 7.354 ( 1.602 0.000 4.243) 4.536 7.393 ( -5.318 0.000 -0.491) 5.340 7.405 ( 2.738 0.000 -0.471) 2.778 7.416 ( -2.216 0.000 -0.123) 2.219 7.516 ( 5.894 0.000 4.289) 7.289 7.615 ( -2.952 0.000 -0.168) 2.956 7.686 ( -1.834 0.000 -1.856) 2.609 7.689 ( -1.700 0.000 2.895) 3.357 7.713 ( 1.683 0.000 0.193) 1.694 7.922 ( -1.152 0.000 -0.321) 1.196 7.932 ( -0.878 0.000 2.501) 2.651 7.987 ( -2.250 0.000 2.462) 3.335 8.011 ( 5.458 0.000 3.466) 6.466 8.038 ( -0.120 0.000 -0.633) 0.645 8.203 ( 6.838 0.000 -5.474) 8.760 8.226 ( 8.196 0.000 -2.576) 8.591 8.337 ( 6.030 0.000 4.638) 7.607 8.364 ( 0.684 0.000 2.118) 2.226 8.371 ( 0.028 0.000 3.789) 3.789 8.465 ( 2.942 0.000 -0.810) 3.052 8.572 ( -4.151 0.000 -0.402) 4.171 8.655 ( -7.582 0.000 10.129) 12.653 8.748 ( -0.269 0.000 5.237) 5.244 8.787 ( 2.371 0.000 -2.585) 3.508 8.861 ( -0.502 0.000 3.754) 3.788 8.882 ( 4.016 0.000 -4.004) 5.671 9.066 ( 1.872 0.000 -12.328) 12.469 9.093 ( -1.719 0.000 -3.103) 3.547 9.136 ( -2.982 0.000 -0.590) 3.040 9.155 ( -5.079 0.000 -5.056) 7.167 9.336 ( 0.913 0.000 9.024) 9.070 9.378 ( 3.573 0.000 7.234) 8.069 9.467 ( -0.881 0.000 2.650) 2.792 9.552 ( 1.022 0.000 -0.904) 1.365 9.681 ( -9.550 0.000 -2.374) 9.840 9.790 ( 2.096 0.000 1.256) 2.443 9.942 ( -16.533 0.000 5.918) 17.560 10.121 ( 4.570 0.000 -1.204) 4.726 10.203 ( -3.824 0.000 1.551) 4.127 10.224 ( -5.502 0.000 4.539) 7.132 10.388 ( 5.830 0.000 -2.115) 6.202 10.615 ( 5.655 0.000 -6.747) 8.803 10.987 ( -6.462 0.000 9.148) 11.200 10.989 ( -9.630 0.000 10.367) 14.150 11.424 ( 4.199 0.000 6.703) 7.910 11.429 ( 5.260 0.000 -2.457) 5.806 11.590 ( 1.910 0.000 -3.358) 3.863 11.833 ( 6.855 0.000 -6.446) 9.410 11.980 ( -9.548 0.000 -13.671) 16.675 12.104 ( 3.803 0.000 -7.501) 8.410 12.335 ( -4.439 0.000 -10.904) 11.773 13.461 ( 0.387 0.000 -1.237) 1.296 13.475 ( 0.233 0.000 -3.083) 3.091 13.585 ( -1.290 0.000 3.644) 3.865 13.670 ( -1.586 0.000 2.531) 2.987 13.671 ( -2.396 0.000 0.711) 2.500 13.703 ( -0.071 0.000 2.199) 2.200 13.801 ( -0.434 0.000 3.865) 3.889 13.807 ( 0.518 0.000 9.071) 9.086 15.183 ( 0.969 0.000 4.356) 4.463 15.272 ( 4.975 0.000 -4.074) 6.431 15.316 ( 1.686 0.000 4.406) 4.717 15.365 ( 4.018 0.000 10.645) 11.379 15.527 ( -2.161 0.000 -8.261) 8.539 15.689 ( -2.116 0.000 -6.644) 6.973 15.700 ( 0.702 0.000 -7.015) 7.050 15.804 ( -1.419 0.000 8.300) 8.420 16.980 ( -0.201 0.000 -2.238) 2.247 17.004 ( -0.486 0.000 -1.476) 1.554 17.070 ( -0.214 0.000 -0.661) 0.695 17.154 ( -1.328 0.000 1.215) 1.800 17.349 ( -1.906 0.000 -1.067) 2.184 17.407 ( -1.167 0.000 0.699) 1.360 17.484 ( -0.453 0.000 2.799) 2.835 17.556 ( 0.096 0.000 6.877) 6.878 17.676 ( -1.683 0.000 5.203) 5.468 17.714 ( 0.904 0.000 -3.390) 3.509 17.757 ( 0.642 0.000 -0.492) 0.809 17.770 ( -0.128 0.000 0.756) 0.767 19.411 ( 0.195 0.000 -0.508) 0.544 19.416 ( 0.255 0.000 -0.246) 0.354 19.448 ( 0.879 0.000 -0.783) 1.177 19.531 ( -0.782 0.000 -2.640) 2.753 19.950 ( 1.133 0.000 -7.699) 7.782 19.977 ( -1.027 0.000 -5.740) 5.831 20.050 ( 1.345 0.000 -2.677) 2.996 20.095 ( 2.205 0.000 -4.766) 5.252 20.274 ( 0.182 0.000 1.236) 1.249 20.293 ( -0.379 0.000 0.723) 0.817 20.331 ( -0.143 0.000 0.458) 0.479 20.347 ( 0.131 0.000 0.326) 0.351 21.166 ( 0.851 0.000 -5.240) 5.308 21.215 ( -0.448 0.000 -5.114) 5.134 21.220 ( -0.480 0.000 -5.136) 5.158 21.241 ( -0.180 0.000 -4.838) 4.841 22.003 ( -0.084 0.000 0.342) 0.352 22.011 ( -0.033 0.000 0.384) 0.386 22.048 ( 0.003 0.000 -0.085) 0.085 22.053 ( -0.186 0.000 0.154) 0.241 23.644 ( -0.422 0.000 -0.460) 0.624 23.672 ( -0.020 0.000 -0.364) 0.365 23.742 ( 0.802 0.000 -0.199) 0.827 23.777 ( 0.294 0.000 -0.467) 0.552 26.566 ( -1.993 0.000 -2.381) 3.105 26.599 ( -1.850 0.000 -0.989) 2.098 26.669 ( -0.406 0.000 -0.444) 0.602 26.696 ( 0.017 0.000 1.238) 1.238 26.721 ( 0.496 0.000 -3.180) 3.218 26.797 ( 0.198 0.000 -4.265) 4.270 26.926 ( 1.092 0.000 -0.369) 1.152 26.991 ( 1.459 0.000 0.837) 1.682 27.150 ( 0.928 0.000 3.784) 3.896 27.165 ( 0.370 0.000 4.047) 4.064 27.194 ( 0.444 0.000 7.581) 7.594 27.205 ( 0.163 0.000 7.485) 7.487 30.545 ( -0.111 0.000 0.502) 0.514 30.549 ( -0.270 0.000 0.810) 0.854 30.599 ( -0.029 0.000 -0.259) 0.260 30.601 ( -0.024 0.000 -0.119) 0.121 31.778 ( 0.011 0.000 1.113) 1.113 31.784 ( 0.458 0.000 0.841) 0.958 31.991 ( 0.385 0.000 -1.232) 1.290 32.072 ( -2.208 0.000 -2.872) 3.623 32.669 ( -0.057 0.000 4.375) 4.375 32.750 ( -2.990 0.000 7.726) 8.284 32.864 ( 0.174 0.000 0.159) 0.236 32.947 ( 1.331 0.000 1.263) 1.835 33.131 ( -0.526 0.000 2.165) 2.228 33.207 ( 0.853 0.000 0.163) 0.869 33.388 ( 11.088 0.000 -3.257) 11.557 33.431 ( 0.049 0.000 0.881) 0.882 33.473 ( -1.944 0.000 2.438) 3.118 33.622 ( -1.409 0.000 -5.084) 5.276 33.773 ( -0.893 0.000 -3.298) 3.417 33.887 ( -3.618 0.000 -1.966) 4.118 34.167 ( 0.379 0.000 -0.243) 0.450 34.638 ( 1.028 0.000 -2.023) 2.269 34.892 ( 8.620 0.000 -14.890) 17.205 35.123 ( -2.316 0.000 -15.625) 15.795 36.063 ( 0.617 0.000 9.135) 9.156 36.165 ( 0.235 0.000 6.267) 6.271 36.181 ( -2.793 0.000 15.628) 15.876 36.196 ( 0.050 0.000 7.699) 7.699 37.858 ( 0.461 0.000 -4.450) 4.474 37.909 ( -0.685 0.000 -5.644) 5.685 37.915 ( 0.824 0.000 -5.718) 5.777 38.220 ( 0.316 0.000 -12.469) 12.473 ======================= Grid point 18 (10/36) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -25.365 0.000 1.360) 25.401 1.351 ( -23.245 0.000 7.958) 24.570 1.718 ( 13.276 0.000 -9.046) 16.065 1.890 ( 10.668 0.000 -3.629) 11.268 1.946 ( 3.180 0.000 -6.146) 6.920 2.067 ( -4.276 0.000 2.070) 4.751 2.083 ( -2.854 0.000 -14.969) 15.239 2.246 ( -1.026 0.000 -9.837) 9.890 2.354 ( 0.530 0.000 -1.252) 1.360 2.362 ( -6.280 0.000 1.661) 6.496 2.514 ( -1.169 0.000 -13.095) 13.147 2.532 ( -2.156 0.000 -4.319) 4.827 2.571 ( 5.552 0.000 1.829) 5.846 2.676 ( -3.193 0.000 -3.752) 4.927 2.717 ( 1.168 0.000 -4.796) 4.936 2.752 ( 4.792 0.000 0.909) 4.878 2.787 ( -10.273 0.000 5.199) 11.514 2.851 ( -3.496 0.000 -3.670) 5.069 2.873 ( 0.523 0.000 -4.066) 4.099 2.889 ( -6.931 0.000 -3.036) 7.566 3.005 ( -0.406 0.000 -3.374) 3.399 3.018 ( 4.551 0.000 3.588) 5.795 3.034 ( 3.071 0.000 0.570) 3.123 3.082 ( -1.287 0.000 -3.113) 3.369 3.107 ( -0.999 0.000 -0.957) 1.383 3.114 ( 1.348 0.000 1.199) 1.804 3.235 ( 2.613 0.000 -0.260) 2.626 3.237 ( 0.332 0.000 -1.475) 1.512 3.307 ( 0.173 0.000 -1.086) 1.099 3.351 ( -0.355 0.000 -6.288) 6.298 3.366 ( 2.522 0.000 -3.224) 4.094 3.395 ( 1.055 0.000 -2.869) 3.057 3.440 ( 4.257 0.000 -3.286) 5.378 3.477 ( 2.563 0.000 -1.969) 3.232 3.552 ( 0.461 0.000 -4.780) 4.803 3.558 ( 10.237 0.000 -4.752) 11.287 3.600 ( 2.547 0.000 4.284) 4.984 3.622 ( -3.040 0.000 1.090) 3.230 3.750 ( 0.153 0.000 -1.616) 1.623 3.781 ( 4.141 0.000 2.436) 4.805 3.828 ( -4.724 0.000 5.783) 7.467 3.833 ( -3.285 0.000 -1.533) 3.625 3.900 ( 7.473 0.000 -2.357) 7.836 3.977 ( 0.340 0.000 2.548) 2.570 4.011 ( 0.062 0.000 1.981) 1.982 4.018 ( 0.825 0.000 -2.843) 2.960 4.087 ( -2.878 0.000 -1.182) 3.111 4.106 ( 0.097 0.000 -1.536) 1.539 4.172 ( 3.249 0.000 2.446) 4.067 4.190 ( 1.435 0.000 -4.679) 4.894 4.225 ( 0.043 0.000 5.065) 5.065 4.245 ( -2.101 0.000 -0.626) 2.193 4.249 ( 0.559 0.000 6.693) 6.717 4.282 ( -0.765 0.000 3.161) 3.252 4.381 ( -0.693 0.000 2.949) 3.029 4.423 ( -1.514 0.000 3.344) 3.671 4.428 ( -0.633 0.000 4.001) 4.051 4.485 ( 1.419 0.000 4.062) 4.303 4.510 ( 0.170 0.000 13.596) 13.597 4.511 ( -0.476 0.000 7.234) 7.249 4.537 ( 3.595 0.000 2.407) 4.326 4.562 ( 3.561 0.000 8.762) 9.458 4.613 ( -1.097 0.000 6.051) 6.149 4.670 ( 2.598 0.000 3.828) 4.626 4.719 ( 3.603 0.000 -2.968) 4.668 4.824 ( 2.484 0.000 7.197) 7.613 4.993 ( -2.063 0.000 3.630) 4.175 5.001 ( 1.516 0.000 -0.671) 1.658 5.111 ( 5.018 0.000 -1.814) 5.335 5.269 ( 3.219 0.000 -4.247) 5.329 5.284 ( 3.486 0.000 -3.498) 4.939 5.302 ( -1.646 0.000 0.609) 1.755 5.446 ( -0.158 0.000 -4.208) 4.211 5.510 ( -5.834 0.000 -5.752) 8.193 5.560 ( -4.067 0.000 -2.379) 4.711 5.706 ( -1.769 0.000 -1.608) 2.390 5.781 ( -6.129 0.000 4.217) 7.440 5.912 ( -3.939 0.000 8.174) 9.074 6.337 ( -0.552 0.000 -7.385) 7.405 6.473 ( 2.108 0.000 -1.784) 2.761 6.549 ( 0.862 0.000 1.669) 1.878 6.602 ( 3.325 0.000 -3.304) 4.687 6.663 ( 5.635 0.000 -4.595) 7.271 6.759 ( -2.958 0.000 -5.754) 6.470 6.768 ( 0.312 0.000 -1.968) 1.992 6.811 ( 1.513 0.000 -12.485) 12.576 6.863 ( -1.311 0.000 -2.225) 2.583 6.980 ( -1.215 0.000 -5.061) 5.205 7.000 ( 4.131 0.000 6.725) 7.892 7.163 ( 4.614 0.000 10.855) 11.795 7.191 ( -7.634 0.000 -1.245) 7.735 7.207 ( -5.126 0.000 -0.180) 5.129 7.258 ( -6.281 0.000 -3.495) 7.188 7.306 ( -1.085 0.000 3.790) 3.942 7.330 ( 0.191 0.000 -2.580) 2.587 7.353 ( -2.882 0.000 2.784) 4.007 7.524 ( 3.355 0.000 5.404) 6.361 7.611 ( 1.192 0.000 3.442) 3.643 7.621 ( -0.901 0.000 3.843) 3.947 7.650 ( 0.271 0.000 0.838) 0.881 7.654 ( 3.101 0.000 -1.535) 3.460 7.744 ( 1.092 0.000 1.535) 1.883 7.815 ( -7.246 0.000 -5.036) 8.824 7.885 ( -3.201 0.000 1.099) 3.384 7.936 ( -2.907 0.000 -1.356) 3.208 8.035 ( -3.343 0.000 2.957) 4.463 8.072 ( 2.880 0.000 -5.171) 5.919 8.238 ( -8.054 0.000 -1.109) 8.130 8.248 ( -3.410 0.000 7.074) 7.853 8.338 ( -1.868 0.000 4.167) 4.566 8.376 ( 0.289 0.000 6.557) 6.564 8.437 ( 0.439 0.000 2.220) 2.263 8.473 ( -2.174 0.000 -6.613) 6.961 8.474 ( -1.817 0.000 -1.339) 2.257 8.547 ( -4.847 0.000 2.058) 5.266 8.712 ( 1.422 0.000 6.598) 6.749 8.811 ( -1.620 0.000 10.792) 10.913 8.857 ( 1.367 0.000 -9.619) 9.716 8.948 ( 2.405 0.000 0.277) 2.421 9.059 ( -0.080 0.000 -7.500) 7.501 9.089 ( -2.070 0.000 -2.278) 3.078 9.109 ( 1.514 0.000 -0.073) 1.516 9.213 ( 6.833 0.000 -3.148) 7.524 9.325 ( -2.071 0.000 7.615) 7.892 9.467 ( 1.028 0.000 4.145) 4.270 9.510 ( 6.394 0.000 7.681) 9.994 9.586 ( 2.283 0.000 2.130) 3.122 9.633 ( 10.551 0.000 -0.663) 10.572 9.915 ( 12.086 0.000 -1.082) 12.134 9.922 ( 8.402 0.000 -2.362) 8.727 10.068 ( -7.767 0.000 1.637) 7.938 10.118 ( -3.847 0.000 -0.271) 3.856 10.195 ( 2.287 0.000 -0.225) 2.298 10.466 ( 1.537 0.000 6.169) 6.357 10.663 ( -1.700 0.000 -2.510) 3.032 10.848 ( -4.437 0.000 0.332) 4.449 10.893 ( -3.187 0.000 6.366) 7.119 11.397 ( -7.589 0.000 -6.001) 9.675 11.478 ( 1.571 0.000 6.604) 6.788 11.607 ( -0.499 0.000 -2.425) 2.476 11.824 ( -3.812 0.000 -3.051) 4.883 12.009 ( 9.028 0.000 -11.346) 14.499 12.131 ( -1.330 0.000 -5.657) 5.811 12.358 ( 6.772 0.000 -9.844) 11.948 13.467 ( 0.031 0.000 -0.723) 0.723 13.473 ( -0.309 0.000 -3.476) 3.489 13.570 ( -0.247 0.000 0.702) 0.745 13.642 ( -0.092 0.000 0.539) 0.547 13.653 ( 0.201 0.000 3.652) 3.657 13.689 ( -1.220 0.000 1.946) 2.297 13.812 ( -0.019 0.000 8.099) 8.099 13.826 ( 2.429 0.000 4.739) 5.325 15.189 ( -0.574 0.000 4.778) 4.812 15.296 ( -3.047 0.000 3.131) 4.369 15.339 ( -0.387 0.000 -2.133) 2.168 15.409 ( -0.522 0.000 13.778) 13.788 15.475 ( -1.093 0.000 -8.440) 8.511 15.645 ( -1.126 0.000 -9.379) 9.446 15.705 ( -0.297 0.000 -7.364) 7.370 15.813 ( 1.793 0.000 7.775) 7.979 16.990 ( 0.863 0.000 -2.940) 3.064 17.013 ( 1.397 0.000 -0.056) 1.398 17.103 ( 2.720 0.000 1.133) 2.947 17.145 ( 0.761 0.000 1.183) 1.407 17.345 ( 1.498 0.000 -2.297) 2.742 17.395 ( 0.273 0.000 -0.515) 0.583 17.490 ( 0.950 0.000 2.868) 3.021 17.551 ( -0.489 0.000 7.152) 7.169 17.658 ( 0.181 0.000 4.949) 4.952 17.704 ( -1.541 0.000 -3.698) 4.007 17.762 ( -0.420 0.000 -0.444) 0.611 17.773 ( 0.306 0.000 1.288) 1.324 19.412 ( -0.061 0.000 -0.418) 0.423 19.418 ( -0.070 0.000 -0.101) 0.123 19.442 ( -1.239 0.000 -1.006) 1.596 19.541 ( 1.504 0.000 -2.286) 2.736 19.948 ( -1.330 0.000 -7.890) 8.001 19.951 ( -1.311 0.000 -6.795) 6.921 20.051 ( -1.221 0.000 -2.567) 2.842 20.112 ( -0.631 0.000 -4.287) 4.333 20.272 ( -0.307 0.000 1.127) 1.168 20.292 ( 0.294 0.000 0.811) 0.862 20.328 ( -0.091 0.000 0.396) 0.406 20.351 ( 0.268 0.000 0.382) 0.466 21.168 ( -0.717 0.000 -5.154) 5.204 21.212 ( 0.253 0.000 -5.205) 5.211 21.220 ( 0.501 0.000 -5.076) 5.100 21.243 ( 0.358 0.000 -4.807) 4.820 22.002 ( 0.048 0.000 0.329) 0.332 22.011 ( 0.009 0.000 0.370) 0.370 22.048 ( 0.012 0.000 -0.085) 0.086 22.054 ( 0.201 0.000 0.169) 0.263 23.641 ( 0.161 0.000 -0.540) 0.563 23.669 ( -0.205 0.000 -0.477) 0.519 23.746 ( -0.398 0.000 -0.057) 0.402 23.778 ( -0.233 0.000 -0.446) 0.503 26.552 ( 0.878 0.000 -2.648) 2.790 26.607 ( 2.415 0.000 -0.804) 2.545 26.663 ( -0.128 0.000 -0.845) 0.855 26.689 ( -0.611 0.000 0.541) 0.816 26.735 ( 0.671 0.000 -2.494) 2.583 26.800 ( 0.123 0.000 -3.774) 3.776 26.944 ( 0.560 0.000 0.131) 0.575 27.009 ( 0.390 0.000 0.850) 0.936 27.138 ( -2.876 0.000 3.467) 4.505 27.148 ( -1.182 0.000 4.043) 4.212 27.184 ( -0.993 0.000 7.175) 7.243 27.215 ( 0.288 0.000 7.945) 7.950 30.543 ( -0.042 0.000 0.419) 0.421 30.548 ( 0.076 0.000 0.783) 0.786 30.599 ( 0.034 0.000 -0.216) 0.218 30.601 ( 0.050 0.000 -0.138) 0.147 31.775 ( -0.273 0.000 1.036) 1.071 31.790 ( 0.142 0.000 0.947) 0.958 31.986 ( -0.640 0.000 -1.462) 1.596 32.078 ( 2.527 0.000 -2.624) 3.643 32.664 ( -0.453 0.000 4.516) 4.538 32.714 ( -0.521 0.000 5.625) 5.649 32.866 ( -0.059 0.000 0.264) 0.270 32.967 ( 0.335 0.000 2.643) 2.665 33.102 ( -1.945 0.000 0.563) 2.025 33.196 ( -1.414 0.000 -0.643) 1.554 33.424 ( -9.505 0.000 -1.522) 9.626 33.459 ( 0.981 0.000 1.943) 2.177 33.463 ( 2.158 0.000 2.254) 3.121 33.634 ( 5.717 0.000 -3.337) 6.620 33.800 ( -0.260 0.000 -5.091) 5.097 33.858 ( 3.367 0.000 -1.225) 3.583 34.171 ( -0.075 0.000 -0.138) 0.157 34.634 ( -1.371 0.000 -2.112) 2.518 34.975 ( -7.760 0.000 -10.925) 13.400 35.039 ( 1.502 0.000 -19.885) 19.942 36.061 ( -0.622 0.000 8.921) 8.943 36.164 ( -0.288 0.000 6.260) 6.267 36.196 ( -0.100 0.000 7.648) 7.649 36.197 ( 4.035 0.000 16.306) 16.798 37.856 ( -0.594 0.000 -4.544) 4.583 37.912 ( 0.913 0.000 -5.495) 5.570 37.913 ( -0.971 0.000 -5.832) 5.912 38.211 ( -1.213 0.000 -12.832) 12.889 ======================= Grid point 19 (11/36) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -22.303 0.000 14.622) 26.669 0.819 ( -25.451 0.000 13.644) 28.877 1.426 ( -38.403 0.000 13.820) 40.814 1.813 ( -5.467 0.000 -5.767) 7.947 2.027 ( 1.516 0.000 -2.189) 2.662 2.060 ( 3.090 0.000 -5.659) 6.448 2.109 ( -8.078 0.000 2.100) 8.347 2.224 ( 9.553 0.000 -5.786) 11.168 2.330 ( 7.333 0.000 -2.684) 7.808 2.397 ( 0.042 0.000 -5.418) 5.418 2.467 ( -1.743 0.000 -9.931) 10.082 2.535 ( -0.130 0.000 -2.401) 2.404 2.603 ( -4.070 0.000 0.682) 4.127 2.623 ( -0.535 0.000 -7.632) 7.651 2.659 ( 6.905 0.000 -0.552) 6.927 2.712 ( -2.695 0.000 -5.400) 6.035 2.820 ( 0.416 0.000 -1.316) 1.380 2.840 ( 1.029 0.000 -2.527) 2.729 2.891 ( 0.598 0.000 -7.510) 7.534 2.952 ( 3.622 0.000 -1.715) 4.007 2.981 ( -3.031 0.000 -9.302) 9.784 3.003 ( -1.178 0.000 0.941) 1.507 3.081 ( 0.323 0.000 -2.170) 2.194 3.098 ( 0.264 0.000 -0.166) 0.312 3.185 ( 8.189 0.000 -3.645) 8.964 3.240 ( -0.549 0.000 -0.943) 1.091 3.273 ( 6.952 0.000 -2.035) 7.244 3.279 ( 1.857 0.000 -1.364) 2.305 3.309 ( 0.404 0.000 -0.379) 0.554 3.401 ( 0.614 0.000 -0.920) 1.106 3.408 ( 4.455 0.000 -1.531) 4.711 3.438 ( 1.401 0.000 3.116) 3.416 3.471 ( 2.540 0.000 -1.188) 2.804 3.488 ( -0.984 0.000 -1.329) 1.654 3.558 ( -1.401 0.000 -1.113) 1.789 3.611 ( 3.733 0.000 1.865) 4.173 3.612 ( 3.909 0.000 -5.107) 6.431 3.681 ( 1.426 0.000 -1.886) 2.364 3.707 ( -3.466 0.000 -5.353) 6.377 3.767 ( 1.492 0.000 10.619) 10.724 3.809 ( 1.735 0.000 0.720) 1.879 3.847 ( 1.637 0.000 0.563) 1.732 3.883 ( -6.926 0.000 -2.125) 7.244 3.940 ( -5.195 0.000 -0.526) 5.222 3.969 ( -4.437 0.000 1.371) 4.644 4.006 ( -2.234 0.000 3.949) 4.537 4.055 ( -3.773 0.000 -3.858) 5.397 4.056 ( -0.463 0.000 -2.449) 2.493 4.092 ( -7.830 0.000 1.424) 7.959 4.142 ( -4.207 0.000 8.462) 9.450 4.250 ( -0.365 0.000 9.571) 9.578 4.273 ( 1.582 0.000 4.975) 5.220 4.286 ( 0.099 0.000 -0.146) 0.177 4.335 ( -4.968 0.000 7.244) 8.784 4.362 ( -1.081 0.000 2.412) 2.644 4.435 ( 6.487 0.000 1.732) 6.715 4.444 ( 0.490 0.000 4.787) 4.812 4.504 ( 2.046 0.000 5.433) 5.806 4.525 ( 2.006 0.000 4.228) 4.680 4.540 ( 5.524 0.000 2.853) 6.217 4.623 ( 3.446 0.000 -0.075) 3.447 4.661 ( 5.600 0.000 1.769) 5.873 4.720 ( 4.431 0.000 0.687) 4.484 4.776 ( 8.363 0.000 10.350) 13.306 4.832 ( 6.614 0.000 -2.027) 6.918 4.872 ( 1.354 0.000 4.698) 4.889 4.956 ( -1.146 0.000 0.467) 1.238 5.071 ( 7.584 0.000 0.498) 7.601 5.213 ( 1.834 0.000 -3.574) 4.017 5.234 ( -3.632 0.000 2.045) 4.168 5.330 ( 0.024 0.000 -1.207) 1.207 5.342 ( 2.850 0.000 -2.111) 3.547 5.386 ( -4.737 0.000 -1.629) 5.010 5.438 ( 0.860 0.000 -4.892) 4.967 5.519 ( 0.038 0.000 -5.609) 5.609 5.620 ( -5.537 0.000 -2.166) 5.946 5.651 ( -4.806 0.000 1.149) 4.941 5.837 ( -1.564 0.000 6.162) 6.358 6.346 ( 0.113 0.000 -5.256) 5.257 6.475 ( -3.789 0.000 -5.076) 6.334 6.519 ( -2.055 0.000 -4.706) 5.136 6.628 ( -0.569 0.000 -5.052) 5.084 6.681 ( -7.133 0.000 -0.912) 7.191 6.746 ( -2.575 0.000 -8.292) 8.682 6.749 ( 1.211 0.000 -4.240) 4.410 6.807 ( 3.366 0.000 -5.830) 6.732 6.845 ( -0.414 0.000 -1.079) 1.156 6.963 ( 0.036 0.000 -2.904) 2.904 7.027 ( -4.508 0.000 2.694) 5.251 7.133 ( -4.315 0.000 -0.586) 4.355 7.149 ( 11.146 0.000 14.420) 18.226 7.165 ( -1.858 0.000 -2.731) 3.303 7.240 ( 0.720 0.000 5.640) 5.686 7.260 ( -0.508 0.000 1.271) 1.369 7.338 ( 0.569 0.000 4.282) 4.319 7.354 ( 1.970 0.000 1.493) 2.472 7.546 ( -3.688 0.000 0.317) 3.702 7.600 ( -0.695 0.000 1.024) 1.238 7.602 ( 3.323 0.000 5.513) 6.437 7.686 ( -0.137 0.000 -2.312) 2.317 7.688 ( -4.139 0.000 -2.102) 4.642 7.724 ( 0.271 0.000 -0.107) 0.291 7.754 ( 0.633 0.000 -0.826) 1.041 7.820 ( -1.650 0.000 0.965) 1.912 7.834 ( -4.799 0.000 -4.089) 6.305 7.983 ( -1.234 0.000 4.583) 4.746 8.021 ( -8.164 0.000 -2.064) 8.421 8.119 ( 0.351 0.000 -5.220) 5.232 8.190 ( -1.533 0.000 7.149) 7.312 8.206 ( -9.832 0.000 1.257) 9.912 8.297 ( -1.707 0.000 6.643) 6.859 8.392 ( 0.980 0.000 -4.149) 4.263 8.441 ( -4.818 0.000 1.542) 5.059 8.493 ( 0.097 0.000 -2.213) 2.215 8.568 ( 6.034 0.000 4.802) 7.712 8.778 ( 0.632 0.000 10.753) 10.772 8.779 ( 4.175 0.000 13.252) 13.894 8.890 ( 0.623 0.000 -7.487) 7.513 8.955 ( -1.351 0.000 -4.019) 4.240 9.074 ( 0.842 0.000 -3.682) 3.777 9.093 ( -0.325 0.000 2.420) 2.442 9.115 ( -0.855 0.000 1.642) 1.852 9.299 ( 4.010 0.000 -2.953) 4.980 9.321 ( 2.948 0.000 3.616) 4.665 9.506 ( 3.054 0.000 2.256) 3.797 9.602 ( -1.576 0.000 5.749) 5.962 9.738 ( 8.062 0.000 4.222) 9.100 9.904 ( 12.820 0.000 0.244) 12.822 9.912 ( -6.655 0.000 0.900) 6.715 10.049 ( 1.606 0.000 -1.744) 2.371 10.095 ( 2.064 0.000 -5.200) 5.595 10.217 ( 9.591 0.000 -6.591) 11.638 10.252 ( 5.352 0.000 -0.076) 5.352 10.527 ( 9.747 0.000 6.499) 11.716 10.587 ( -3.349 0.000 2.706) 4.305 10.731 ( -8.528 0.000 -5.733) 10.276 10.823 ( -4.075 0.000 6.016) 7.266 11.274 ( -2.732 0.000 -6.760) 7.291 11.481 ( -2.394 0.000 -1.161) 2.661 11.605 ( 2.034 0.000 1.108) 2.316 11.760 ( -2.471 0.000 -2.991) 3.880 12.042 ( -7.356 0.000 1.272) 7.465 12.160 ( 3.372 0.000 -10.761) 11.277 12.533 ( 7.215 0.000 -10.678) 12.887 13.466 ( -0.322 0.000 -3.467) 3.482 13.468 ( 0.648 0.000 -1.120) 1.294 13.577 ( 1.038 0.000 -1.511) 1.833 13.645 ( -0.248 0.000 7.659) 7.663 13.682 ( 1.240 0.000 -3.085) 3.325 13.686 ( 3.041 0.000 9.158) 9.650 13.809 ( -0.156 0.000 5.074) 5.076 13.889 ( 2.948 0.000 1.649) 3.377 15.158 ( -2.156 0.000 3.227) 3.881 15.218 ( -3.799 0.000 2.340) 4.462 15.270 ( -4.037 0.000 0.759) 4.108 15.352 ( -4.426 0.000 10.014) 10.949 15.496 ( 1.785 0.000 -9.519) 9.685 15.650 ( 1.583 0.000 -6.647) 6.833 15.694 ( -0.634 0.000 -6.281) 6.313 15.847 ( 1.057 0.000 6.444) 6.530 17.011 ( 0.967 0.000 0.123) 0.974 17.044 ( 1.031 0.000 2.113) 2.352 17.133 ( 0.349 0.000 0.808) 0.880 17.191 ( 2.314 0.000 2.956) 3.754 17.388 ( 2.019 0.000 1.189) 2.343 17.421 ( 1.679 0.000 2.254) 2.810 17.516 ( 1.260 0.000 2.024) 2.384 17.541 ( -0.402 0.000 4.886) 4.903 17.674 ( -0.812 0.000 -2.936) 3.047 17.696 ( 3.394 0.000 -1.058) 3.555 17.733 ( -2.170 0.000 -1.262) 2.510 17.779 ( 0.230 0.000 -1.362) 1.381 19.410 ( -0.171 0.000 -0.301) 0.347 19.412 ( -0.390 0.000 -0.200) 0.438 19.417 ( -0.900 0.000 -0.610) 1.087 19.563 ( -0.161 0.000 -3.885) 3.888 19.904 ( -2.382 0.000 -7.858) 8.211 19.933 ( -0.173 0.000 -7.308) 7.310 20.008 ( -2.469 0.000 -2.600) 3.585 20.079 ( -2.181 0.000 -3.655) 4.256 20.268 ( -0.085 0.000 1.151) 1.154 20.298 ( 0.233 0.000 0.681) 0.720 20.328 ( 0.080 0.000 0.603) 0.608 20.359 ( 0.520 0.000 0.458) 0.693 21.148 ( -0.986 0.000 -4.165) 4.280 21.214 ( -0.348 0.000 -6.188) 6.197 21.235 ( 0.806 0.000 -5.049) 5.113 21.252 ( 0.389 0.000 -5.017) 5.033 22.005 ( 0.124 0.000 0.332) 0.355 22.011 ( 0.027 0.000 0.382) 0.383 22.048 ( 0.013 0.000 -0.055) 0.056 22.065 ( 1.006 0.000 0.634) 1.189 23.650 ( 0.556 0.000 -1.118) 1.249 23.665 ( -0.115 0.000 -0.553) 0.565 23.728 ( -1.183 0.000 0.105) 1.187 23.770 ( -0.449 0.000 -0.395) 0.598 26.601 ( 3.626 0.000 -2.103) 4.191 26.665 ( 0.337 0.000 -1.220) 1.266 26.676 ( -0.563 0.000 -0.528) 0.772 26.684 ( 4.340 0.000 -1.174) 4.496 26.744 ( 0.198 0.000 -1.449) 1.462 26.799 ( -0.233 0.000 -2.512) 2.522 26.941 ( -1.392 0.000 -1.155) 1.809 27.000 ( -1.956 0.000 -2.240) 2.973 27.067 ( -2.572 0.000 6.264) 6.771 27.114 ( -1.436 0.000 6.142) 6.307 27.163 ( -0.806 0.000 7.312) 7.357 27.214 ( -0.261 0.000 7.757) 7.761 30.544 ( 0.080 0.000 0.470) 0.477 30.555 ( 0.862 0.000 1.292) 1.553 30.600 ( 0.050 0.000 -0.149) 0.157 30.602 ( 0.052 0.000 -0.091) 0.105 31.769 ( -0.278 0.000 1.086) 1.121 31.789 ( -0.283 0.000 0.695) 0.751 31.979 ( -0.037 0.000 -1.331) 1.331 32.146 ( 3.266 0.000 -3.795) 5.007 32.656 ( -0.279 0.000 4.324) 4.333 32.739 ( 4.140 0.000 7.246) 8.345 32.864 ( 0.123 0.000 -0.130) 0.178 32.948 ( -2.180 0.000 1.865) 2.869 33.071 ( -0.649 0.000 -0.045) 0.650 33.179 ( 0.077 0.000 0.443) 0.450 33.191 ( -10.771 0.000 0.953) 10.813 33.488 ( 1.330 0.000 1.886) 2.308 33.506 ( 1.537 0.000 2.241) 2.718 33.691 ( -0.005 0.000 -3.141) 3.141 33.826 ( 2.722 0.000 -3.721) 4.610 33.956 ( 4.594 0.000 -3.350) 5.685 34.162 ( -0.734 0.000 -0.054) 0.736 34.594 ( -1.935 0.000 -1.215) 2.285 34.783 ( -8.365 0.000 -4.412) 9.457 34.924 ( -17.369 0.000 -31.532) 35.999 36.048 ( -0.598 0.000 8.042) 8.064 36.156 ( -0.425 0.000 5.893) 5.908 36.193 ( -0.131 0.000 7.701) 7.702 36.349 ( 10.777 0.000 16.296) 19.537 37.842 ( -0.549 0.000 -4.148) 4.185 37.884 ( -1.417 0.000 -5.201) 5.391 37.935 ( 1.032 0.000 -5.889) 5.979 38.145 ( -6.184 0.000 -15.052) 16.273 ======================= Grid point 20 (12/36) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -1.390 26.588 5.652) 27.218 0.938 ( -3.238 24.293 16.376) 29.476 1.363 ( -0.510 -24.546 -1.357) 24.589 1.479 ( -0.349 25.041 13.567) 28.482 1.553 ( -0.391 -7.911 7.684) 11.035 2.152 ( -0.521 1.252 -7.142) 7.269 2.257 ( 0.539 -4.412 -6.289) 7.701 2.294 ( -2.701 -6.643 -6.735) 9.838 2.439 ( -0.031 4.468 -5.786) 7.310 2.465 ( 1.068 1.431 -2.857) 3.369 2.495 ( 1.162 3.296 -1.347) 3.745 2.584 ( -0.750 -1.016 0.324) 1.304 2.597 ( 3.143 4.549 -3.559) 6.575 2.658 ( -0.279 3.648 -4.803) 6.038 2.682 ( -3.620 -10.351 -2.867) 11.334 2.711 ( 1.071 1.840 -11.369) 11.567 2.751 ( -2.972 1.167 -6.743) 7.461 2.849 ( 2.071 -6.861 -1.479) 7.318 2.860 ( 4.212 -0.174 -3.234) 5.313 2.902 ( -0.813 0.879 -0.207) 1.215 2.940 ( 1.532 -6.536 0.620) 6.742 3.006 ( -2.619 -0.902 -2.311) 3.608 3.049 ( -3.759 0.026 -1.278) 3.971 3.084 ( 2.025 -1.015 -3.066) 3.811 3.122 ( -2.319 -1.435 -3.548) 4.475 3.185 ( -2.473 -2.058 -0.356) 3.237 3.216 ( -2.470 -3.671 0.477) 4.450 3.258 ( -1.784 -2.841 -0.617) 3.411 3.323 ( 0.791 0.116 -3.173) 3.272 3.373 ( 2.722 -2.565 -1.577) 4.059 3.408 ( -0.332 0.913 0.106) 0.977 3.468 ( 0.753 -3.334 2.151) 4.038 3.492 ( 1.769 2.151 -1.544) 3.184 3.536 ( 1.164 -0.059 -0.646) 1.333 3.628 ( 0.554 -0.665 -1.180) 1.463 3.635 ( 2.823 0.109 -1.329) 3.122 3.659 ( 2.860 1.105 1.454) 3.393 3.696 ( 2.112 1.676 -2.605) 3.749 3.710 ( 3.240 0.066 -1.691) 3.655 3.783 ( 1.879 -2.056 4.646) 5.417 3.789 ( -1.121 0.559 2.225) 2.553 3.820 ( 1.059 -0.204 0.261) 1.110 3.843 ( -4.862 2.147 3.308) 6.260 3.858 ( -1.117 -0.672 -2.111) 2.481 3.884 ( 1.916 -1.371 1.088) 2.595 3.916 ( -2.885 -1.770 4.295) 5.469 3.975 ( -3.586 1.810 1.780) 4.393 4.005 ( -1.637 -0.573 0.115) 1.738 4.050 ( 1.850 1.630 0.793) 2.590 4.132 ( -2.276 -2.558 3.430) 4.846 4.216 ( 1.599 -0.253 6.398) 6.600 4.244 ( -0.146 -2.977 5.430) 6.194 4.308 ( -3.000 2.108 1.661) 4.025 4.362 ( -0.491 -0.869 2.151) 2.371 4.436 ( -2.939 0.392 6.780) 7.400 4.448 ( -0.459 1.403 6.213) 6.386 4.485 ( -0.008 -1.575 5.964) 6.168 4.509 ( 0.408 -0.452 5.724) 5.756 4.570 ( -0.884 0.220 2.691) 2.841 4.616 ( 0.882 -1.863 3.097) 3.721 4.661 ( 1.530 10.789 -0.776) 10.924 4.727 ( -1.201 0.780 2.305) 2.713 4.849 ( -0.500 7.213 -1.031) 7.304 4.902 ( 2.499 4.427 -1.963) 5.450 4.955 ( -0.376 4.188 -1.179) 4.367 4.976 ( -4.314 6.258 1.306) 7.712 4.997 ( 2.961 -1.498 -1.850) 3.800 5.148 ( 1.042 -4.401 -3.491) 5.713 5.163 ( -2.323 -3.622 -2.753) 5.108 5.185 ( -0.122 -4.972 -2.968) 5.792 5.244 ( -2.202 1.065 -0.922) 2.614 5.299 ( -1.878 -3.524 -0.597) 4.038 5.418 ( 1.589 1.626 0.782) 2.405 5.475 ( 1.040 -1.349 -3.215) 3.638 5.503 ( 3.153 0.487 -1.919) 3.723 5.559 ( 3.555 -2.092 -1.498) 4.388 5.676 ( 2.678 3.212 2.916) 5.099 5.771 ( 1.597 -4.889 5.079) 7.228 6.287 ( -0.973 1.116 -6.539) 6.704 6.334 ( -2.067 -2.845 -6.400) 7.303 6.462 ( -3.209 0.105 -5.528) 6.393 6.491 ( -2.895 -1.672 -5.700) 6.608 6.689 ( -3.565 4.510 -6.964) 9.030 6.755 ( -1.562 -0.410 -7.359) 7.534 6.842 ( 1.849 4.867 -1.474) 5.411 6.888 ( 0.911 -0.173 -4.076) 4.180 6.892 ( 0.594 -1.930 -0.855) 2.193 6.898 ( -1.787 1.899 -2.455) 3.582 7.013 ( 3.526 -0.574 3.728) 5.163 7.039 ( 2.667 -1.593 0.164) 3.111 7.089 ( -1.606 -1.187 4.871) 5.264 7.184 ( -2.245 -6.387 11.710) 13.526 7.251 ( 2.577 2.390 3.557) 5.000 7.337 ( -0.154 -1.070 2.623) 2.837 7.383 ( 3.048 2.313 3.808) 5.398 7.464 ( -0.889 -1.882 3.570) 4.132 7.508 ( 0.925 2.792 7.690) 8.233 7.545 ( -3.007 -0.945 1.613) 3.540 7.623 ( -1.005 2.646 -0.944) 2.984 7.649 ( 1.541 6.286 -0.739) 6.515 7.683 ( 1.914 0.487 -3.622) 4.125 7.718 ( -0.856 -1.295 -1.502) 2.160 7.755 ( 0.817 -1.297 0.028) 1.533 7.834 ( 1.421 3.786 1.912) 4.474 7.879 ( 1.500 -6.118 4.128) 7.531 7.888 ( -1.132 -0.045 -1.194) 1.646 8.037 ( -0.663 3.117 -4.653) 5.639 8.103 ( 4.831 1.878 5.501) 7.558 8.140 ( 2.136 1.014 -1.425) 2.761 8.180 ( -2.675 1.715 -0.272) 3.189 8.223 ( -1.469 -4.747 0.207) 4.973 8.299 ( 0.565 -2.554 4.464) 5.173 8.502 ( -2.922 0.885 -1.123) 3.253 8.531 ( 0.924 0.332 -1.761) 2.017 8.616 ( 5.162 -2.674 2.543) 6.346 8.720 ( 1.991 -7.194 5.346) 9.181 8.849 ( -0.896 2.041 3.765) 4.375 8.876 ( -1.391 0.309 8.651) 8.767 9.001 ( -1.658 2.085 3.377) 4.301 9.033 ( 1.221 1.164 -0.190) 1.698 9.065 ( -3.034 -2.802 1.108) 4.276 9.093 ( 2.013 -2.974 0.267) 3.602 9.352 ( -1.981 1.694 1.137) 2.844 9.402 ( -2.619 1.327 -1.587) 3.338 9.491 ( 1.174 3.225 -0.100) 3.434 9.618 ( -2.086 -2.280 -2.636) 4.062 9.722 ( -2.368 -1.432 -0.156) 2.772 9.760 ( -3.983 -2.699 -2.679) 5.507 10.108 ( -0.595 3.813 2.125) 4.405 10.159 ( 4.526 2.267 2.561) 5.673 10.199 ( -0.859 3.214 2.746) 4.314 10.231 ( -0.651 -0.526 0.830) 1.179 10.410 ( -4.411 -2.372 -2.492) 5.594 10.431 ( -4.701 -0.766 -4.353) 6.452 10.761 ( -0.927 5.488 -3.774) 6.725 10.848 ( 11.960 -3.312 -8.177) 14.862 10.991 ( 19.963 11.442 -8.739) 24.613 11.246 ( 9.568 -7.435 -9.209) 15.219 11.459 ( -1.529 5.104 1.207) 5.463 11.577 ( 4.805 -3.730 2.442) 6.555 11.672 ( -14.400 -4.036 5.415) 15.905 11.680 ( -11.123 -2.774 6.648) 13.251 12.377 ( -1.537 10.842 -12.012) 16.254 12.539 ( -1.481 -4.229 -12.334) 13.122 13.459 ( -0.175 -0.233 -2.046) 2.067 13.467 ( -0.131 -0.949 -1.797) 2.036 13.602 ( 1.672 -0.029 4.038) 4.371 13.632 ( 1.279 -2.172 5.406) 5.965 13.714 ( 1.597 0.856 6.424) 6.675 13.735 ( 1.066 -0.498 5.808) 5.926 13.863 ( -0.705 1.949 -1.065) 2.330 13.892 ( -0.810 -0.676 -0.763) 1.302 15.132 ( -0.232 0.978 4.371) 4.485 15.173 ( -0.241 -2.281 5.836) 6.271 15.217 ( -2.005 2.891 -1.704) 3.909 15.267 ( -2.285 -0.964 1.337) 2.817 15.568 ( 2.076 2.178 -8.127) 8.666 15.627 ( 0.746 -2.876 -6.949) 7.557 15.719 ( 0.279 3.102 -0.763) 3.207 15.808 ( 0.150 -3.814 4.222) 5.691 17.025 ( -0.293 0.407 2.165) 2.223 17.038 ( -0.632 -0.579 2.481) 2.625 17.148 ( -0.855 1.669 0.857) 2.062 17.190 ( -0.457 -1.658 2.584) 3.103 17.417 ( 0.528 -0.019 4.088) 4.122 17.426 ( 0.127 -0.707 4.296) 4.355 17.533 ( -0.454 0.436 2.408) 2.489 17.541 ( 0.275 -0.125 2.820) 2.836 17.683 ( 0.766 0.530 -2.135) 2.329 17.695 ( 0.728 -0.345 -2.003) 2.159 17.774 ( 0.467 1.033 -3.408) 3.592 17.784 ( -0.357 0.210 -3.536) 3.561 19.404 ( 0.217 0.087 -0.652) 0.692 19.407 ( 0.036 -0.129 -0.439) 0.459 19.469 ( -0.089 2.470 -2.265) 3.353 19.509 ( -0.493 -1.184 -1.939) 2.325 19.891 ( 0.592 1.297 -6.936) 7.081 19.927 ( 1.347 -1.629 -6.418) 6.757 20.006 ( -0.180 1.641 -3.920) 4.254 20.035 ( -1.186 -0.715 -4.235) 4.456 20.276 ( 0.074 0.625 1.101) 1.268 20.292 ( 0.067 -0.713 0.763) 1.047 20.339 ( 0.032 0.559 0.588) 0.812 20.353 ( -0.225 -0.655 0.597) 0.914 21.147 ( -0.028 0.957 -4.018) 4.130 21.176 ( 0.087 -1.451 -4.613) 4.837 21.271 ( 0.012 1.301 -5.946) 6.086 21.284 ( -0.077 0.541 -7.305) 7.325 22.008 ( 0.024 0.094 0.352) 0.365 22.010 ( 0.014 -0.107 0.387) 0.402 22.051 ( -0.011 0.275 0.135) 0.307 22.064 ( -0.015 -0.969 0.613) 1.147 23.661 ( 0.174 0.336 -1.299) 1.352 23.670 ( 0.162 -0.247 -1.570) 1.598 23.735 ( -0.224 1.414 -0.475) 1.508 23.757 ( -0.093 -0.604 -0.414) 0.739 26.666 ( 0.666 0.063 -1.145) 1.326 26.670 ( 0.509 -0.256 -1.025) 1.173 26.695 ( 0.449 0.885 -0.539) 1.130 26.716 ( 0.108 -1.005 -0.717) 1.239 26.775 ( -0.475 1.389 -1.874) 2.380 26.799 ( -0.380 -0.414 -2.488) 2.551 26.893 ( -1.799 0.763 -1.901) 2.726 26.914 ( -1.856 -0.873 -2.304) 3.085 27.066 ( 1.446 0.210 6.649) 6.807 27.087 ( 1.016 -1.335 6.861) 7.063 27.178 ( 0.128 1.260 7.696) 7.800 27.202 ( -0.088 -0.695 7.558) 7.590 30.548 ( 0.083 0.205 0.714) 0.748 30.558 ( 0.186 -0.876 1.217) 1.511 30.601 ( 0.007 0.035 -0.085) 0.092 30.602 ( 0.005 -0.085 -0.019) 0.088 31.764 ( -0.059 0.218 1.125) 1.147 31.769 ( 0.020 -0.165 1.267) 1.277 32.134 ( -0.480 6.040 -10.854) 12.431 32.191 ( -0.197 -0.032 -7.304) 7.307 32.700 ( 1.282 4.267 6.509) 7.887 32.840 ( 1.626 -5.947 5.210) 8.072 32.900 ( 2.067 1.625 -0.668) 2.713 32.949 ( 10.079 -2.906 0.223) 10.492 33.043 ( -3.192 -0.146 1.034) 3.358 33.052 ( -3.466 -1.274 1.704) 4.067 33.188 ( -1.137 0.513 2.968) 3.220 33.244 ( -7.638 -6.854 7.677) 12.816 33.514 ( -0.272 1.158 1.682) 2.061 33.550 ( -0.658 -1.801 1.642) 2.525 33.912 ( 0.502 3.289 -3.636) 4.928 33.982 ( 0.337 -2.427 -4.098) 4.775 34.314 ( -2.495 5.319 -6.052) 8.435 34.392 ( -1.916 -2.433 -3.974) 5.038 34.614 ( 2.381 2.718 -1.045) 3.762 34.670 ( 2.074 -1.890 -1.479) 3.171 36.058 ( -0.121 1.802 8.585) 8.773 36.127 ( -0.142 -3.068 7.556) 8.156 36.193 ( 0.031 0.242 8.496) 8.500 36.241 ( -0.180 -7.109 14.773) 16.395 37.876 ( -0.292 1.640 -5.976) 6.204 37.920 ( -0.382 -1.891 -6.099) 6.396 37.980 ( 0.088 3.465 -8.420) 9.105 38.013 ( 1.365 -0.200 -6.589) 6.732 ======================= Grid point 21 (13/36) ======================= q-point: ( 0.20 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 16.062 22.327 -0.551) 27.510 1.020 ( 16.866 18.762 7.173) 26.229 1.457 ( 7.931 -21.781 -3.471) 23.438 1.536 ( 6.353 -22.616 3.715) 23.783 1.874 ( 22.625 26.210 6.032) 35.146 2.126 ( -3.372 5.004 -5.483) 8.153 2.233 ( -2.590 -4.643 -6.560) 8.444 2.278 ( -1.573 -1.857 -5.390) 5.914 2.406 ( -3.533 2.501 -7.202) 8.403 2.467 ( -2.812 -0.889 -5.570) 6.303 2.510 ( 2.974 4.150 -0.681) 5.151 2.569 ( 3.277 3.645 -0.045) 4.902 2.618 ( -3.349 -1.371 0.413) 3.642 2.650 ( 0.828 3.399 -2.151) 4.107 2.666 ( -0.135 2.923 -2.389) 3.778 2.715 ( -0.391 -1.292 -8.940) 9.041 2.748 ( 0.069 3.145 -9.656) 10.156 2.857 ( -0.745 -2.507 -0.641) 2.693 2.881 ( -1.826 -3.067 -2.484) 4.348 2.912 ( 0.334 -2.293 -2.655) 3.524 2.934 ( -1.343 -3.017 -4.542) 5.615 2.961 ( 1.598 2.032 -2.350) 3.493 3.013 ( -4.305 -6.916 -3.176) 8.744 3.109 ( -0.064 2.614 -2.213) 3.425 3.132 ( 2.182 -0.307 0.187) 2.212 3.141 ( 3.627 -5.801 -1.153) 6.938 3.181 ( 0.150 -5.959 1.036) 6.051 3.234 ( -0.537 -1.275 -0.778) 1.588 3.336 ( -0.374 0.826 -1.390) 1.660 3.353 ( -2.528 0.127 -2.188) 3.345 3.400 ( -0.894 -2.870 -3.517) 4.626 3.426 ( -3.643 -4.118 2.266) 5.947 3.487 ( -3.516 3.063 -0.561) 4.697 3.551 ( -3.849 -3.050 0.606) 4.948 3.581 ( -0.681 1.880 1.775) 2.674 3.628 ( -0.619 0.733 0.948) 1.349 3.640 ( -4.834 -1.978 -0.338) 5.234 3.661 ( -2.993 -2.642 -0.805) 4.073 3.745 ( 1.931 0.636 1.153) 2.338 3.770 ( 0.378 5.665 -2.092) 6.050 3.801 ( -0.353 -2.888 0.692) 2.990 3.818 ( 1.456 3.038 0.321) 3.384 3.859 ( 1.885 -1.550 -3.813) 4.527 3.878 ( 5.020 -1.245 -2.268) 5.647 3.922 ( 1.169 -1.486 2.952) 3.506 3.956 ( 2.713 -1.275 4.606) 5.496 4.024 ( 3.720 1.147 0.279) 3.903 4.044 ( 3.759 0.597 -0.870) 3.905 4.066 ( -0.923 -1.784 1.892) 2.759 4.103 ( 1.242 -1.851 2.538) 3.377 4.184 ( -1.868 0.080 5.442) 5.754 4.225 ( 0.882 -3.315 2.505) 4.248 4.313 ( -0.620 -0.649 1.924) 2.123 4.340 ( -2.524 -1.920 4.440) 5.456 4.379 ( -1.602 0.429 6.251) 6.467 4.428 ( -3.635 -3.952 3.588) 6.458 4.456 ( -0.583 1.668 7.940) 8.135 4.512 ( -0.060 -1.624 4.723) 4.995 4.539 ( -2.315 4.726 3.174) 6.146 4.592 ( -3.054 -0.453 6.452) 7.153 4.682 ( -0.578 3.377 0.392) 3.449 4.702 ( -0.115 3.653 2.188) 4.259 4.746 ( -9.461 6.706 -0.137) 11.598 4.838 ( -6.878 3.004 1.026) 7.576 4.896 ( -3.774 6.987 0.228) 7.945 4.960 ( -2.033 6.874 -1.379) 7.299 4.985 ( -2.008 3.712 -1.958) 4.653 5.039 ( -4.663 -2.364 -1.074) 5.337 5.108 ( -3.187 -5.651 -3.720) 7.479 5.191 ( 0.243 -6.856 -2.670) 7.362 5.222 ( -0.264 1.288 -1.518) 2.008 5.289 ( 0.066 -3.218 -1.576) 3.584 5.449 ( 0.843 0.911 -1.139) 1.685 5.519 ( 2.799 -3.914 -4.080) 6.309 5.599 ( 4.615 1.781 0.129) 4.948 5.624 ( 2.986 0.117 1.510) 3.348 5.793 ( 6.790 0.848 5.802) 8.971 5.838 ( 4.147 -2.682 6.247) 7.964 6.322 ( 3.137 -0.298 -4.556) 5.539 6.336 ( 3.148 -1.636 -4.712) 5.898 6.437 ( -0.127 1.255 -6.672) 6.790 6.495 ( 3.666 -1.999 -10.054) 10.887 6.631 ( -2.220 4.860 -6.904) 8.730 6.728 ( -0.682 -3.168 -8.778) 9.357 6.825 ( -3.923 5.583 -1.513) 6.989 6.861 ( -1.757 3.059 -5.447) 6.490 6.891 ( -0.524 -0.884 -1.900) 2.160 6.907 ( 0.772 -0.442 1.176) 1.475 7.041 ( -1.751 0.699 -1.151) 2.209 7.086 ( -2.824 -3.511 11.180) 12.054 7.133 ( 6.326 -2.549 6.034) 9.106 7.150 ( 6.062 -1.711 4.386) 7.676 7.309 ( 2.007 -2.243 1.098) 3.204 7.317 ( -0.490 -1.794 2.722) 3.296 7.410 ( -0.166 6.694 6.212) 9.133 7.460 ( 1.381 3.246 2.097) 4.104 7.500 ( -1.296 -0.977 1.816) 2.435 7.560 ( 1.754 -4.483 0.746) 4.872 7.631 ( 0.968 5.979 0.841) 6.114 7.686 ( 1.025 1.244 1.582) 2.259 7.734 ( 1.427 -0.673 0.649) 1.706 7.743 ( 1.828 3.684 0.463) 4.138 7.819 ( -1.537 -1.414 0.026) 2.089 7.872 ( 9.161 -3.041 -1.398) 9.753 7.905 ( 2.005 1.093 1.562) 2.767 7.945 ( 3.852 -3.380 4.071) 6.545 8.075 ( 4.262 4.019 -6.635) 8.851 8.133 ( -0.217 5.632 2.549) 6.185 8.182 ( 1.546 4.623 -0.075) 4.875 8.222 ( 4.725 -2.624 4.317) 6.917 8.254 ( 5.161 -3.542 -1.769) 6.505 8.339 ( 1.511 -3.909 5.904) 7.240 8.434 ( -1.958 4.882 -3.658) 6.407 8.523 ( -2.444 -3.428 0.307) 4.221 8.671 ( -0.050 -3.708 6.210) 7.233 8.716 ( -3.973 -7.488 9.365) 12.632 8.813 ( -0.843 3.173 -3.465) 4.773 8.854 ( 1.031 2.847 2.532) 3.947 8.981 ( -0.195 3.129 8.518) 9.077 9.024 ( -0.245 -1.439 -3.068) 3.398 9.080 ( 3.570 2.308 -6.719) 7.951 9.165 ( 4.632 -2.131 -1.644) 5.357 9.269 ( -4.437 1.122 1.455) 4.802 9.304 ( -5.974 -2.203 2.296) 6.768 9.449 ( -3.526 1.962 -0.972) 4.151 9.509 ( -7.654 -3.112 -6.329) 10.408 9.622 ( -6.086 1.898 -0.417) 6.389 9.704 ( -3.349 -5.457 -1.256) 6.525 10.004 ( -13.245 4.629 3.023) 14.353 10.067 ( -4.007 1.065 3.540) 5.452 10.211 ( 1.106 0.020 1.343) 1.740 10.256 ( -2.310 -1.373 5.190) 5.845 10.346 ( 2.314 4.747 -4.462) 6.913 10.449 ( 4.123 -3.523 -4.096) 6.796 10.572 ( -11.003 14.012 -1.153) 17.853 10.926 ( -3.363 -14.896 -4.752) 15.993 11.218 ( -5.378 2.177 13.088) 14.316 11.261 ( -6.224 -0.911 17.240) 18.352 11.458 ( 3.708 5.274 -5.676) 8.590 11.547 ( 2.234 -2.168 -5.834) 6.612 11.674 ( 11.852 1.776 -9.526) 15.309 11.792 ( 12.412 -8.002 -3.436) 15.162 12.293 ( -6.475 8.472 -12.536) 16.458 12.434 ( -7.999 -3.958 -13.054) 15.814 13.458 ( -0.013 -0.223 -1.577) 1.593 13.464 ( 0.185 -0.393 -2.294) 2.335 13.617 ( -0.466 0.152 5.669) 5.690 13.641 ( -0.238 -1.789 7.437) 7.653 13.726 ( -0.932 1.064 3.990) 4.234 13.743 ( -1.027 -0.249 0.610) 1.220 13.806 ( -1.820 1.517 4.078) 4.716 13.840 ( -3.092 -1.259 1.523) 3.669 15.162 ( 2.327 1.030 4.810) 5.442 15.201 ( 2.463 -1.773 2.938) 4.224 15.231 ( 3.405 2.299 1.581) 4.402 15.280 ( 3.300 -1.105 1.431) 3.763 15.592 ( 0.145 2.418 -7.967) 8.327 15.650 ( 0.921 -2.580 -7.080) 7.592 15.733 ( 0.528 2.933 -1.250) 3.232 15.808 ( -0.777 -2.946 4.461) 5.402 17.004 ( -1.502 0.343 0.469) 1.610 17.016 ( -1.316 -0.563 0.484) 1.511 17.118 ( -1.862 1.598 -0.110) 2.456 17.162 ( -1.847 -2.008 1.374) 3.055 17.407 ( -1.607 0.297 2.669) 3.130 17.418 ( -0.811 -0.688 3.481) 3.640 17.514 ( -1.251 0.968 2.062) 2.598 17.541 ( -0.155 -0.952 3.735) 3.858 17.666 ( -1.960 -0.467 -0.799) 2.167 17.677 ( -2.780 -1.405 -1.506) 3.459 17.796 ( 2.235 1.903 -1.060) 3.121 17.800 ( 1.904 1.200 -1.480) 2.694 19.409 ( 0.242 0.053 -0.480) 0.540 19.410 ( 0.253 -0.041 -0.410) 0.483 19.462 ( 0.021 2.578 -1.362) 2.916 19.516 ( 0.152 -2.075 -2.746) 3.445 19.929 ( 2.385 1.582 -6.994) 7.557 19.972 ( 2.031 -1.780 -6.136) 6.704 20.020 ( 0.865 0.920 -3.747) 3.954 20.033 ( 1.793 -0.284 -4.090) 4.475 20.278 ( 0.117 0.599 1.095) 1.253 20.292 ( -0.061 -0.589 0.764) 0.967 20.337 ( -0.178 0.337 0.580) 0.694 20.345 ( -0.323 -0.283 0.500) 0.659 21.156 ( 0.836 0.959 -4.397) 4.578 21.186 ( 0.601 -1.548 -4.798) 5.078 21.260 ( -0.876 0.778 -5.596) 5.718 21.264 ( -1.449 0.668 -6.331) 6.529 22.007 ( -0.087 0.121 0.356) 0.386 22.010 ( -0.037 -0.127 0.388) 0.410 22.050 ( -0.071 0.194 0.058) 0.215 22.057 ( -0.396 -0.410 0.405) 0.699 23.658 ( -0.485 0.171 -0.858) 1.001 23.664 ( -0.367 -0.337 -0.739) 0.891 23.741 ( 0.697 1.255 -0.415) 1.494 23.762 ( 0.482 -0.600 -0.449) 0.891 26.626 ( -4.077 0.339 -1.093) 4.235 26.644 ( -3.863 -1.206 -1.298) 4.250 26.691 ( 0.152 0.202 0.135) 0.287 26.692 ( -0.069 0.091 0.185) 0.217 26.748 ( -1.104 1.754 -2.920) 3.581 26.783 ( -0.507 -1.086 -3.293) 3.504 26.909 ( 2.047 1.157 -1.328) 2.700 26.937 ( 2.248 -1.029 -0.933) 2.642 27.112 ( 2.416 -0.137 5.139) 5.680 27.122 ( 2.036 -0.797 5.987) 6.374 27.187 ( 0.661 0.847 7.615) 7.691 27.202 ( 0.120 -0.398 7.364) 7.375 30.548 ( -0.051 0.151 0.673) 0.691 30.554 ( -0.371 -0.412 1.024) 1.164 30.600 ( -0.066 0.021 -0.147) 0.162 30.601 ( -0.092 -0.054 -0.069) 0.127 31.772 ( 0.629 0.159 0.957) 1.156 31.775 ( 0.363 -0.043 1.139) 1.196 32.067 ( -3.496 4.772 -4.995) 7.743 32.134 ( -4.090 -1.066 -5.276) 6.760 32.699 ( -0.908 2.831 6.087) 6.774 32.783 ( -4.110 -3.973 7.676) 9.570 32.906 ( -1.752 1.427 2.292) 3.218 32.924 ( -0.031 0.108 1.607) 1.611 33.115 ( 2.464 -0.330 1.736) 3.032 33.121 ( 4.165 -0.981 0.826) 4.358 33.234 ( 7.790 4.028 -1.625) 8.920 33.371 ( 8.789 -7.535 -3.090) 11.982 33.495 ( -1.123 1.028 1.277) 1.987 33.535 ( -0.042 -2.107 -0.212) 2.118 33.881 ( -3.206 2.875 -2.572) 5.016 33.942 ( -3.625 -2.064 -2.990) 5.132 34.262 ( 0.181 7.678 -2.783) 8.169 34.463 ( 3.525 -9.219 -5.647) 11.371 34.765 ( 8.479 3.805 -6.101) 11.118 34.879 ( 13.130 -6.534 -9.488) 17.467 36.062 ( 0.431 1.518 8.969) 9.107 36.124 ( -0.256 -3.425 8.912) 9.551 36.194 ( 0.006 0.093 8.393) 8.393 36.214 ( -1.777 -2.809 12.232) 12.675 37.868 ( -0.283 1.492 -5.600) 5.803 37.900 ( -0.504 -0.896 -5.469) 5.565 37.983 ( 0.561 4.730 -6.562) 8.108 38.096 ( 3.650 -5.014 -9.745) 11.551 ======================= Grid point 22 (14/36) ======================= q-point: ( 0.40 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 21.069 9.331 -7.570) 24.255 1.440 ( 19.477 7.792 -1.664) 21.044 1.680 ( 11.301 -10.043 -5.941) 16.244 1.782 ( 12.263 -13.009 -2.244) 18.018 1.880 ( -10.257 4.253 -4.887) 12.132 2.047 ( -7.740 -5.259 -3.313) 9.926 2.103 ( -13.462 10.057 2.974) 17.065 2.283 ( -2.556 -3.894 0.290) 4.667 2.342 ( -1.404 3.470 -11.787) 12.367 2.420 ( -0.724 -2.503 -10.481) 10.800 2.535 ( -4.253 3.652 -3.863) 6.808 2.611 ( -0.989 -1.270 -5.344) 5.581 2.627 ( 3.489 1.596 -0.895) 3.940 2.651 ( -2.555 4.186 -3.588) 6.077 2.655 ( 3.710 -1.961 -1.269) 4.384 2.722 ( -1.187 0.518 -5.606) 5.754 2.774 ( 0.815 -1.581 2.868) 3.374 2.815 ( -0.438 -5.751 -3.355) 6.672 2.882 ( 4.612 1.321 -3.625) 6.013 2.933 ( 3.612 3.916 -4.671) 7.085 2.960 ( 1.824 -3.634 -0.657) 4.119 2.981 ( 5.200 5.053 2.273) 7.599 3.017 ( 2.050 1.442 -6.859) 7.302 3.120 ( 2.649 3.567 -2.772) 5.237 3.129 ( -0.465 -0.181 0.710) 0.868 3.186 ( 2.287 3.735 0.177) 4.384 3.211 ( -2.265 -1.315 -2.421) 3.566 3.239 ( 1.123 1.775 0.436) 2.145 3.322 ( -1.982 1.231 -1.166) 2.608 3.332 ( -2.190 -2.664 -0.913) 3.568 3.349 ( 1.912 -1.415 -2.335) 3.334 3.373 ( -0.760 -1.092 -4.501) 4.693 3.443 ( 0.561 2.479 -2.536) 3.590 3.469 ( -1.342 -0.637 0.956) 1.766 3.567 ( -4.082 -1.423 -2.197) 4.849 3.588 ( -1.036 -1.575 -1.467) 2.389 3.651 ( 1.689 -0.886 0.203) 1.918 3.666 ( 0.738 -1.573 -1.043) 2.026 3.751 ( -0.520 -0.222 1.768) 1.856 3.779 ( -0.997 -0.291 0.421) 1.121 3.798 ( -0.785 -0.753 0.313) 1.132 3.841 ( 0.909 -2.898 3.287) 4.476 3.877 ( -0.802 -1.342 -2.963) 3.350 3.907 ( -1.371 -0.498 1.326) 1.971 3.933 ( 1.269 -0.003 3.632) 3.847 3.975 ( -1.993 -0.497 -1.439) 2.508 4.035 ( 0.856 -2.363 0.222) 2.523 4.082 ( -1.320 1.718 4.848) 5.310 4.110 ( 1.817 -1.418 -1.631) 2.824 4.118 ( 0.256 -3.115 2.104) 3.768 4.199 ( -3.635 -3.711 5.136) 7.305 4.212 ( -3.550 -2.021 2.655) 4.872 4.248 ( 0.868 1.358 2.640) 3.093 4.300 ( 1.481 -1.969 2.875) 3.786 4.359 ( 4.070 -0.093 2.817) 4.951 4.384 ( 1.204 -0.753 3.339) 3.628 4.412 ( -5.023 3.313 0.189) 6.020 4.458 ( -2.394 -1.199 3.665) 4.539 4.495 ( -0.411 0.849 10.452) 10.494 4.526 ( -2.424 -0.938 10.323) 10.645 4.605 ( -3.770 3.093 3.332) 5.906 4.649 ( -3.938 -0.199 2.847) 4.864 4.694 ( -1.424 3.185 4.759) 5.901 4.758 ( -0.702 1.506 4.439) 4.740 4.798 ( -1.757 4.894 1.991) 5.568 4.873 ( -1.409 7.893 -1.232) 8.112 4.960 ( -2.164 -3.117 0.819) 3.882 5.039 ( 1.454 3.186 -1.263) 3.723 5.068 ( -0.297 -2.013 -2.230) 3.019 5.177 ( -0.579 -1.377 -2.977) 3.331 5.245 ( 1.998 -0.418 -3.995) 4.487 5.290 ( 0.031 -2.891 -2.217) 3.643 5.458 ( 0.094 2.441 -4.150) 4.816 5.546 ( -0.538 -3.933 -5.479) 6.766 5.656 ( -0.007 1.860 0.023) 1.861 5.680 ( 1.798 -0.342 1.081) 2.126 5.884 ( 0.507 1.274 8.722) 8.829 5.913 ( 2.221 -1.197 8.237) 8.615 6.384 ( -0.062 0.098 -7.376) 7.377 6.397 ( 3.204 -1.188 -1.347) 3.673 6.476 ( 5.189 3.445 -5.485) 8.300 6.594 ( 0.911 -4.340 -3.149) 5.439 6.615 ( 3.311 4.712 -9.204) 10.857 6.718 ( -0.742 0.803 -6.436) 6.528 6.749 ( -0.373 0.473 -4.424) 4.465 6.844 ( -0.290 1.886 -5.390) 5.718 6.865 ( -0.752 -2.668 -1.756) 3.281 6.913 ( -0.909 -1.206 -0.290) 1.538 7.016 ( 0.394 0.768 -1.228) 1.501 7.068 ( 1.379 -1.400 2.520) 3.196 7.236 ( 2.224 1.171 5.480) 6.029 7.278 ( 2.416 -4.131 3.405) 5.873 7.331 ( 3.160 -0.793 4.669) 5.693 7.332 ( -0.230 -1.350 -0.204) 1.385 7.387 ( -2.605 3.767 3.362) 5.681 7.440 ( -3.715 0.691 2.567) 4.568 7.526 ( -0.002 5.469 -2.699) 6.098 7.550 ( 0.340 1.636 2.034) 2.633 7.617 ( -2.676 -2.567 4.689) 5.978 7.652 ( -0.491 -3.911 1.137) 4.102 7.739 ( 0.120 6.655 0.149) 6.657 7.799 ( -0.281 4.700 1.346) 4.897 7.845 ( 4.258 1.522 -2.763) 5.299 7.931 ( 0.186 0.386 1.668) 1.722 7.959 ( 0.061 -0.742 2.944) 3.037 8.082 ( 4.519 -7.749 -1.530) 9.100 8.133 ( 0.530 4.568 -3.080) 5.535 8.160 ( 2.896 5.842 4.508) 7.927 8.263 ( 4.583 4.880 -4.732) 8.198 8.293 ( 1.847 -4.530 -0.202) 4.897 8.314 ( 2.771 -1.865 4.582) 5.670 8.395 ( -1.782 -0.304 1.316) 2.237 8.432 ( -0.472 -3.887 3.496) 5.249 8.452 ( 1.629 -4.966 -1.854) 5.545 8.554 ( -8.536 -2.910 12.647) 15.533 8.663 ( -0.008 -7.135 8.500) 11.098 8.875 ( 4.742 2.719 -7.154) 9.004 8.893 ( 1.498 3.702 -1.092) 4.141 8.967 ( -1.373 3.294 6.996) 7.853 9.022 ( -0.898 -1.829 -2.675) 3.362 9.149 ( -4.345 1.012 -1.389) 4.673 9.161 ( 3.541 3.214 -6.000) 7.673 9.222 ( -1.691 4.134 -9.556) 10.549 9.308 ( -4.086 -0.720 0.768) 4.220 9.332 ( 6.818 -2.196 1.300) 7.280 9.431 ( -2.084 -6.821 -2.771) 7.652 9.551 ( 1.132 4.680 4.499) 6.589 9.647 ( -0.555 -2.781 1.599) 3.255 9.758 ( -6.888 -0.242 2.354) 7.284 9.855 ( -12.376 -6.834 7.457) 15.983 10.203 ( -3.197 1.696 0.358) 3.636 10.215 ( -0.591 1.187 1.172) 1.770 10.379 ( -6.082 12.267 4.848) 14.524 10.426 ( 2.993 3.734 -1.283) 4.954 10.573 ( 5.699 -1.800 -7.837) 9.856 10.796 ( -5.922 -13.936 3.309) 15.500 11.087 ( -4.915 5.986 10.546) 13.084 11.239 ( 1.500 -7.248 9.445) 11.999 11.546 ( 2.665 2.906 -1.725) 4.304 11.591 ( 1.495 -0.746 -1.426) 2.197 11.893 ( 8.914 4.478 -7.936) 12.747 11.979 ( 2.409 -1.882 -10.019) 10.475 12.136 ( -5.001 3.847 -9.413) 11.332 12.258 ( -6.464 -5.636 -10.582) 13.621 13.464 ( 0.531 0.306 -1.748) 1.853 13.472 ( 0.462 -0.265 -2.831) 2.881 13.591 ( -1.648 0.713 5.014) 5.326 13.624 ( -1.343 -2.227 6.038) 6.574 13.688 ( -1.693 1.191 -2.173) 3.001 13.712 ( -0.821 -0.538 -1.786) 2.038 13.802 ( 0.432 0.660 7.944) 7.983 13.814 ( 0.009 -0.097 7.451) 7.451 15.204 ( 1.352 1.798 5.201) 5.667 15.259 ( 2.261 -2.715 4.056) 5.379 15.321 ( 4.214 2.634 0.799) 5.033 15.366 ( 3.757 -0.727 2.945) 4.829 15.579 ( -1.473 3.288 -8.125) 8.888 15.654 ( -1.059 -3.011 -7.562) 8.208 15.723 ( -0.812 2.251 -1.350) 2.748 15.779 ( -1.111 -2.116 5.662) 6.146 16.981 ( -0.354 0.196 -1.922) 1.965 16.993 ( -0.602 -0.722 -1.602) 1.857 17.089 ( -0.299 1.540 -0.465) 1.636 17.131 ( -0.822 -1.788 0.483) 2.026 17.365 ( -1.820 1.209 -0.599) 2.265 17.393 ( -1.305 -1.085 0.336) 1.730 17.493 ( -0.430 1.079 2.369) 2.638 17.540 ( 0.068 -2.025 4.774) 5.186 17.620 ( -1.995 -1.412 3.478) 4.250 17.634 ( -0.921 -2.587 1.767) 3.265 17.834 ( 0.946 2.831 -0.148) 2.988 17.839 ( 1.222 2.265 -0.423) 2.608 19.414 ( 0.201 0.116 -0.446) 0.502 19.415 ( 0.211 -0.010 -0.315) 0.380 19.468 ( 0.322 1.611 -1.178) 2.022 19.509 ( -0.424 -1.692 -2.048) 2.690 19.965 ( 0.710 1.098 -7.308) 7.424 19.983 ( -0.585 -0.076 -6.401) 6.428 20.053 ( 1.567 0.633 -3.088) 3.520 20.079 ( 1.878 -1.263 -4.305) 4.864 20.280 ( 0.064 0.450 1.047) 1.141 20.290 ( -0.164 -0.295 0.766) 0.837 20.333 ( -0.162 0.266 0.461) 0.556 20.342 ( 0.014 -0.383 0.381) 0.540 21.175 ( 0.706 0.691 -5.162) 5.256 21.194 ( 0.195 -0.975 -5.061) 5.158 21.237 ( -0.852 0.624 -5.223) 5.329 21.243 ( -0.541 0.052 -5.023) 5.053 22.005 ( -0.072 0.157 0.347) 0.388 22.009 ( -0.046 -0.161 0.369) 0.406 22.049 ( -0.021 0.105 -0.036) 0.112 22.052 ( -0.110 -0.118 0.081) 0.180 23.647 ( -0.337 0.329 -0.417) 0.629 23.660 ( -0.105 -0.720 -0.344) 0.805 23.756 ( 0.553 0.882 -0.353) 1.099 23.772 ( 0.354 -0.480 -0.454) 0.750 26.560 ( -1.912 -0.143 -1.769) 2.609 26.573 ( -1.921 -1.255 -1.220) 2.599 26.689 ( -0.295 0.703 1.002) 1.259 26.696 ( -0.057 -0.089 1.202) 1.207 26.740 ( 0.352 1.715 -4.394) 4.730 26.780 ( 0.196 -1.404 -4.401) 4.624 26.943 ( 1.118 1.320 -0.148) 1.736 26.975 ( 1.296 -1.228 0.482) 1.850 27.150 ( 1.001 0.103 3.937) 4.064 27.157 ( 0.792 -0.465 4.240) 4.338 27.199 ( 0.191 0.332 7.519) 7.528 27.205 ( 0.116 -0.116 7.478) 7.479 30.546 ( -0.107 0.084 0.540) 0.557 30.548 ( -0.166 -0.066 0.690) 0.712 30.599 ( -0.039 0.006 -0.208) 0.212 30.600 ( -0.038 -0.062 -0.138) 0.156 31.780 ( 0.112 0.154 1.000) 1.018 31.783 ( 0.339 -0.072 0.893) 0.957 32.023 ( -0.869 2.216 -2.397) 3.378 32.063 ( -2.042 -0.993 -3.215) 3.936 32.682 ( -0.611 1.177 5.251) 5.416 32.720 ( -1.985 -1.922 6.694) 7.241 32.895 ( 0.125 2.121 0.966) 2.334 32.936 ( 0.736 -1.158 1.298) 1.889 33.136 ( -0.006 0.679 1.792) 1.916 33.170 ( 0.921 -2.230 0.898) 2.574 33.400 ( 3.241 1.229 -0.333) 3.482 33.436 ( 0.114 -1.535 1.393) 2.075 33.504 ( 4.827 4.145 -2.345) 6.781 33.597 ( 3.519 -2.974 -5.509) 7.182 33.798 ( -3.483 2.372 -1.471) 4.463 33.858 ( -3.973 -2.293 -1.398) 4.795 34.281 ( 1.054 9.299 -2.649) 9.726 34.526 ( 2.242 -9.787 -4.936) 11.188 34.915 ( 5.072 2.943 -10.592) 12.107 35.028 ( 1.055 -6.233 -11.275) 12.926 36.073 ( 0.432 1.002 9.671) 9.733 36.115 ( -0.330 -2.684 10.990) 11.318 36.189 ( -0.366 0.278 9.168) 9.180 36.194 ( -0.051 -0.165 7.980) 7.982 37.868 ( 0.168 1.041 -5.230) 5.335 37.894 ( -0.069 -0.989 -5.519) 5.607 37.994 ( 0.294 5.648 -6.735) 8.794 38.137 ( 0.557 -6.134 -9.948) 11.700 ======================= Grid point 23 (15/36) ======================= q-point: (-0.40 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -18.211 7.909 -2.591) 20.022 1.445 ( -18.561 7.455 -2.425) 20.148 1.725 ( -10.343 -9.881 -5.341) 15.269 1.758 ( -11.370 -13.788 -3.899) 18.292 1.881 ( 11.748 7.231 -4.423) 14.487 2.021 ( 8.853 3.055 -0.294) 9.370 2.139 ( 12.483 1.140 2.366) 12.756 2.253 ( 1.414 -3.113 -3.184) 4.672 2.352 ( 3.524 3.164 -10.803) 11.796 2.414 ( -0.071 -1.131 -10.380) 10.442 2.539 ( 2.892 1.088 -6.196) 6.924 2.565 ( -2.067 -0.584 -4.375) 4.874 2.593 ( -2.657 3.076 -3.690) 5.490 2.653 ( -1.808 2.356 0.432) 3.001 2.714 ( 0.746 -2.269 -7.701) 8.062 2.727 ( 3.798 -0.152 -0.342) 3.816 2.764 ( 1.144 -3.834 -1.590) 4.305 2.819 ( -2.383 -4.111 -2.704) 5.467 2.877 ( -4.967 5.911 0.747) 7.757 2.929 ( 0.077 3.409 -1.561) 3.750 3.022 ( -7.350 4.509 0.463) 8.635 3.024 ( 0.189 0.408 -1.542) 1.606 3.056 ( 2.173 -1.582 -2.425) 3.620 3.113 ( -1.493 0.153 -1.767) 2.318 3.132 ( 1.251 2.289 2.348) 3.510 3.174 ( -1.037 -3.463 -1.623) 3.963 3.198 ( 2.764 2.665 -1.756) 4.222 3.230 ( -0.603 -2.896 -1.687) 3.405 3.319 ( -0.211 -0.415 -1.610) 1.676 3.354 ( 2.345 0.084 -3.908) 4.558 3.390 ( -5.566 4.864 1.404) 7.524 3.415 ( 2.536 1.838 -0.646) 3.198 3.445 ( -0.377 3.361 -5.639) 6.576 3.472 ( 2.210 -1.354 -4.188) 4.925 3.502 ( 0.408 -1.526 2.788) 3.204 3.558 ( 1.122 -0.657 -4.733) 4.909 3.607 ( 0.526 -1.893 -0.439) 2.013 3.673 ( -3.118 -2.007 -1.142) 3.880 3.714 ( -5.999 -7.975 3.129) 10.459 3.759 ( -0.087 0.334 1.840) 1.872 3.776 ( -1.109 -1.514 0.119) 1.881 3.800 ( -2.980 -2.455 4.059) 5.602 3.858 ( -0.456 2.089 1.632) 2.690 3.928 ( 2.332 -0.058 -2.336) 3.302 3.945 ( 8.470 0.901 1.617) 8.670 3.986 ( -1.889 -5.257 0.404) 5.601 4.073 ( 0.960 3.065 1.950) 3.758 4.098 ( 4.195 -4.422 0.064) 6.096 4.130 ( 1.552 -3.229 1.550) 3.903 4.183 ( 1.589 2.237 0.500) 2.789 4.205 ( 1.901 -2.216 -0.511) 2.965 4.225 ( 3.388 -2.863 5.743) 7.256 4.252 ( 1.958 2.668 3.494) 4.813 4.319 ( 1.033 -0.353 2.082) 2.351 4.381 ( -0.401 1.387 5.593) 5.776 4.406 ( 1.531 -1.344 4.994) 5.393 4.430 ( 0.251 1.693 4.771) 5.068 4.477 ( 0.526 -2.209 7.163) 7.514 4.506 ( 3.623 1.495 6.147) 7.290 4.514 ( 0.507 0.841 3.575) 3.707 4.544 ( 1.934 1.564 2.008) 3.197 4.597 ( 2.920 -1.593 4.800) 5.840 4.688 ( 0.774 4.971 6.746) 8.415 4.780 ( 3.182 2.585 3.859) 5.630 4.800 ( 1.081 3.527 3.709) 5.231 4.881 ( 1.222 8.959 -1.755) 9.211 4.951 ( 0.830 -4.216 1.292) 4.487 5.054 ( -0.580 -0.825 -0.957) 1.391 5.080 ( 2.581 1.033 -1.612) 3.214 5.195 ( 1.839 -3.617 -2.309) 4.668 5.277 ( -0.809 -0.852 -2.042) 2.356 5.294 ( 1.667 -1.982 -2.943) 3.920 5.455 ( -0.723 2.157 -5.233) 5.706 5.507 ( -2.137 -1.461 -6.913) 7.382 5.597 ( -5.272 3.157 -0.273) 6.151 5.670 ( -2.896 -2.736 -0.622) 4.033 5.825 ( -5.401 2.965 6.091) 8.664 5.886 ( -4.431 -2.073 7.901) 9.293 6.354 ( -1.696 2.288 -6.911) 7.475 6.441 ( -0.596 -4.288 -3.483) 5.556 6.569 ( 1.168 2.051 -1.986) 3.085 6.600 ( 2.906 1.433 -1.179) 3.448 6.689 ( 4.407 2.043 -6.289) 7.946 6.747 ( -0.792 -2.211 -9.153) 9.450 6.761 ( 2.174 2.291 -1.996) 3.737 6.859 ( 1.426 -3.530 -5.799) 6.937 6.884 ( 1.636 0.492 -1.466) 2.251 6.893 ( 0.621 -1.364 1.400) 2.051 7.041 ( 0.815 2.943 -1.016) 3.218 7.106 ( 0.338 -2.178 0.175) 2.211 7.200 ( -8.193 2.675 0.636) 8.641 7.247 ( -2.989 3.095 5.295) 6.823 7.290 ( -2.781 -0.525 0.838) 2.952 7.302 ( -2.235 -0.531 -1.067) 2.533 7.335 ( -2.779 -0.171 -2.004) 3.431 7.400 ( 0.107 -6.916 4.441) 8.220 7.460 ( -0.520 4.743 5.135) 7.010 7.593 ( 0.423 -4.967 4.377) 6.634 7.658 ( 4.984 3.964 1.913) 6.649 7.683 ( 1.412 1.483 0.341) 2.076 7.733 ( 0.603 4.669 0.324) 4.719 7.771 ( -2.077 1.037 -1.732) 2.897 7.864 ( -2.225 5.240 -2.939) 6.407 7.910 ( -3.395 1.978 -0.711) 3.993 7.931 ( -2.349 1.859 1.665) 3.427 8.026 ( -3.534 1.488 2.404) 4.525 8.108 ( -4.715 -3.573 -2.284) 6.342 8.167 ( -5.977 -0.457 0.268) 6.000 8.279 ( -3.570 0.533 3.354) 4.927 8.323 ( -0.732 0.072 1.677) 1.832 8.332 ( -2.848 -4.267 0.697) 5.178 8.369 ( 1.716 -2.334 -1.387) 3.212 8.391 ( 3.045 -2.223 -0.932) 3.884 8.454 ( -0.946 -4.755 6.605) 8.193 8.546 ( 1.810 0.180 5.039) 5.357 8.651 ( -1.623 -7.115 9.897) 12.297 8.843 ( -2.488 2.907 0.218) 3.832 8.910 ( -2.530 0.719 7.560) 8.004 8.938 ( 0.279 4.899 -9.622) 10.801 9.056 ( 2.718 -3.380 -0.714) 4.396 9.131 ( 0.133 3.726 -3.710) 5.260 9.181 ( -2.531 4.914 1.676) 5.776 9.216 ( 2.625 6.298 -3.585) 7.708 9.294 ( 3.823 -6.954 -1.730) 8.122 9.416 ( 1.702 -1.597 3.220) 3.977 9.523 ( 9.773 -5.215 -1.167) 11.139 9.592 ( 1.472 4.179 2.788) 5.235 9.693 ( 6.346 3.765 3.348) 8.103 9.777 ( 8.215 -6.725 2.584) 10.926 9.845 ( 9.649 -5.501 -0.870) 11.141 10.128 ( -2.647 2.547 -3.064) 4.783 10.156 ( -3.362 2.120 -0.077) 3.975 10.311 ( 0.009 8.768 1.440) 8.886 10.459 ( -0.044 -1.695 7.282) 7.477 10.647 ( 0.431 -1.084 -2.847) 3.077 10.718 ( -2.678 -7.864 -2.038) 8.553 11.003 ( -3.479 8.271 6.264) 10.943 11.218 ( -3.758 -9.849 4.779) 11.574 11.550 ( -1.846 2.282 -1.080) 3.127 11.589 ( -1.707 -1.320 -1.598) 2.685 11.906 ( -3.485 5.488 -6.295) 9.050 12.011 ( -0.295 -2.501 -7.024) 7.462 12.163 ( 6.878 4.608 -7.896) 11.441 12.292 ( 8.425 -5.208 -8.419) 13.000 13.472 ( 0.059 0.388 -1.752) 1.795 13.478 ( -0.062 0.095 -3.189) 3.191 13.562 ( -0.782 0.226 2.647) 2.769 13.599 ( -0.780 -2.736 4.299) 5.155 13.672 ( 0.038 1.900 -0.641) 2.005 13.703 ( -0.229 -0.357 0.327) 0.535 13.817 ( 0.631 0.383 7.748) 7.783 13.824 ( 1.350 -0.183 6.303) 6.449 15.209 ( -0.954 1.780 5.496) 5.856 15.266 ( -1.610 -2.902 6.024) 6.878 15.360 ( -1.645 2.509 0.146) 3.003 15.400 ( -0.555 -0.686 2.348) 2.508 15.541 ( -1.445 3.600 -5.654) 6.857 15.613 ( -1.264 -2.672 -8.663) 9.154 15.725 ( 0.437 2.193 -2.682) 3.492 15.787 ( 1.409 -2.331 4.973) 5.670 16.991 ( 1.100 0.222 -2.098) 2.379 17.002 ( 1.482 -0.697 -0.658) 1.765 17.114 ( 2.284 0.889 0.957) 2.631 17.136 ( 1.292 -0.799 1.005) 1.821 17.355 ( 1.036 0.879 -1.867) 2.309 17.380 ( 0.394 -1.114 -0.947) 1.515 17.501 ( 1.056 1.000 2.548) 2.934 17.539 ( -0.138 -1.791 5.086) 5.394 17.597 ( -0.057 -0.806 3.209) 3.309 17.631 ( 0.655 -3.434 1.351) 3.747 17.829 ( -1.323 3.045 -0.145) 3.323 17.841 ( -1.067 2.002 -0.067) 2.269 19.414 ( -0.247 0.071 -0.419) 0.491 19.416 ( -0.236 -0.122 -0.280) 0.386 19.466 ( -0.300 1.897 -1.188) 2.258 19.514 ( 0.829 -1.988 -1.823) 2.823 19.954 ( -1.620 0.467 -7.548) 7.734 19.959 ( -1.567 0.198 -7.094) 7.268 20.063 ( -0.709 1.097 -3.079) 3.344 20.095 ( -0.472 -1.373 -3.995) 4.251 20.278 ( -0.198 0.481 0.985) 1.114 20.289 ( 0.071 -0.340 0.799) 0.872 20.332 ( 0.092 0.427 0.439) 0.619 20.345 ( 0.233 -0.514 0.416) 0.701 21.175 ( -0.653 0.583 -5.134) 5.208 21.193 ( -0.293 -0.902 -5.112) 5.200 21.238 ( 0.859 0.681 -5.171) 5.286 21.245 ( 0.678 0.011 -4.989) 5.035 22.004 ( 0.036 0.158 0.335) 0.372 22.009 ( 0.017 -0.166 0.356) 0.393 22.049 ( 0.038 0.105 -0.033) 0.117 22.052 ( 0.125 -0.116 0.091) 0.194 23.645 ( 0.124 0.363 -0.488) 0.621 23.658 ( -0.059 -0.705 -0.423) 0.824 23.759 ( -0.307 0.793 -0.260) 0.889 23.773 ( -0.246 -0.434 -0.415) 0.649 26.552 ( 1.224 0.285 -1.936) 2.308 26.575 ( 1.918 -1.687 -1.208) 2.826 26.682 ( -0.187 0.727 0.172) 0.770 26.690 ( -0.449 -0.043 0.517) 0.686 26.754 ( 0.765 1.540 -3.337) 3.754 26.788 ( 0.469 -1.134 -3.757) 3.952 26.958 ( 0.284 1.222 0.240) 1.277 26.991 ( 0.235 -1.413 0.626) 1.563 27.139 ( -2.528 0.080 3.689) 4.473 27.143 ( -1.755 -0.310 3.890) 4.279 27.194 ( -0.492 0.704 7.452) 7.501 27.209 ( 0.074 -0.507 7.815) 7.832 30.545 ( -0.024 0.114 0.476) 0.490 30.547 ( 0.027 -0.060 0.654) 0.658 30.599 ( 0.038 0.005 -0.184) 0.188 30.600 ( 0.049 -0.073 -0.144) 0.169 31.778 ( -0.279 0.260 0.948) 1.021 31.785 ( -0.150 -0.301 0.941) 0.999 32.022 ( 0.908 2.440 -2.513) 3.618 32.066 ( 2.260 -1.166 -3.087) 4.000 32.673 ( -0.333 0.730 5.025) 5.089 32.695 ( -0.391 -1.188 5.458) 5.599 32.897 ( -0.146 2.272 1.032) 2.499 32.947 ( 0.046 -1.757 2.127) 2.759 33.112 ( -1.950 1.058 0.346) 2.245 33.155 ( -1.959 -2.551 -0.138) 3.219 33.425 ( -0.695 0.427 1.307) 1.541 33.444 ( 1.403 -1.151 2.373) 2.987 33.536 ( -4.743 5.167 -1.815) 7.244 33.632 ( 0.619 -2.026 -3.843) 4.389 33.791 ( 1.677 0.709 -2.562) 3.144 33.833 ( 3.617 -1.979 -1.680) 4.452 34.294 ( 0.144 9.954 -2.224) 10.201 34.545 ( -0.420 -9.057 -4.005) 9.912 34.935 ( -5.011 -1.029 -10.929) 12.067 34.976 ( -3.967 -3.564 -12.460) 13.553 36.074 ( -0.313 1.202 9.549) 9.629 36.121 ( 0.694 -2.862 10.703) 11.101 36.192 ( 0.577 0.004 9.728) 9.745 36.194 ( 0.001 -0.144 8.148) 8.150 37.870 ( 0.043 1.173 -5.156) 5.288 37.897 ( 0.279 -0.960 -5.430) 5.521 37.989 ( -0.739 5.444 -6.935) 8.847 38.129 ( -1.330 -6.043 -10.265) 11.986 ======================= Grid point 24 (16/36) ======================= q-point: (-0.20 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -19.130 17.289 4.183) 26.122 1.044 ( -13.637 18.104 10.004) 24.775 1.484 ( -10.324 -20.253 -2.513) 22.871 1.546 ( -4.811 -22.154 3.961) 23.013 1.889 ( -22.251 27.630 4.074) 35.709 2.150 ( 2.715 3.379 -4.856) 6.509 2.208 ( 3.933 -1.576 -4.584) 6.242 2.307 ( 1.968 -2.078 -6.785) 7.364 2.439 ( 4.719 7.451 -3.824) 9.613 2.459 ( -0.216 0.378 -3.702) 3.727 2.498 ( 1.367 5.863 -4.385) 7.448 2.533 ( -4.394 -2.836 -3.952) 6.555 2.562 ( 1.507 -0.101 -3.521) 3.831 2.670 ( -0.788 2.905 -5.070) 5.896 2.702 ( -0.240 2.858 -1.845) 3.410 2.729 ( 0.992 2.381 -4.190) 4.921 2.775 ( 1.879 -3.864 -4.293) 6.074 2.819 ( 0.107 0.511 -1.084) 1.203 2.837 ( 0.609 -7.599 -4.689) 8.950 2.899 ( -1.673 1.931 -2.523) 3.591 2.985 ( -1.229 -8.169 0.401) 8.271 3.017 ( -2.655 -6.974 -0.467) 7.477 3.046 ( -0.039 2.610 -4.309) 5.038 3.119 ( -0.767 3.428 -0.074) 3.513 3.148 ( -1.353 -5.441 -1.465) 5.795 3.191 ( 3.964 0.641 -3.057) 5.047 3.241 ( 1.737 -5.667 2.616) 6.479 3.262 ( 1.033 -4.263 0.524) 4.417 3.303 ( 1.278 1.206 -0.330) 1.788 3.333 ( -1.302 0.076 -0.910) 1.590 3.396 ( 0.355 -0.762 -2.083) 2.247 3.434 ( 1.574 -0.767 -1.852) 2.549 3.451 ( 0.120 0.727 -2.882) 2.974 3.510 ( 0.605 2.201 1.320) 2.637 3.540 ( 4.154 -0.555 -1.171) 4.351 3.571 ( 5.288 -1.016 -5.156) 7.455 3.612 ( 1.873 -2.627 -0.003) 3.226 3.648 ( 0.113 1.572 0.203) 1.589 3.675 ( 1.457 -3.085 3.966) 5.231 3.717 ( -0.691 -2.918 4.767) 5.632 3.795 ( 2.054 0.623 -0.399) 2.184 3.819 ( 2.307 -1.394 -0.563) 2.753 3.844 ( -1.474 3.773 0.284) 4.061 3.888 ( -2.807 -0.369 -0.218) 2.840 3.945 ( -3.381 0.799 -0.820) 3.569 4.003 ( -0.665 -1.037 1.321) 1.806 4.036 ( -6.170 -3.026 -0.402) 6.884 4.089 ( -2.683 -3.105 0.270) 4.112 4.115 ( -5.151 2.597 3.779) 6.897 4.147 ( -1.362 -1.605 3.718) 4.272 4.231 ( -2.044 2.249 7.225) 7.839 4.273 ( -0.119 1.149 6.121) 6.229 4.329 ( 0.727 -0.702 2.382) 2.588 4.360 ( 1.348 -0.813 4.235) 4.518 4.421 ( 3.865 0.960 6.628) 7.732 4.456 ( 2.938 -1.635 8.754) 9.378 4.477 ( -0.345 1.465 4.039) 4.310 4.484 ( 2.823 1.841 -0.177) 3.375 4.519 ( 4.011 -2.066 4.077) 6.081 4.566 ( 2.385 -2.898 1.083) 3.907 4.635 ( 1.572 9.035 -0.414) 9.180 4.698 ( 3.945 1.142 2.387) 4.750 4.789 ( 6.671 5.540 2.611) 9.056 4.867 ( 1.626 2.983 2.189) 4.042 4.876 ( 7.020 3.978 2.671) 8.499 4.924 ( 2.868 3.462 -3.975) 6.001 5.023 ( 5.221 2.512 0.454) 5.812 5.039 ( 2.457 -0.160 -0.426) 2.499 5.149 ( 2.653 -5.412 -2.213) 6.421 5.193 ( -2.319 -4.107 0.005) 4.717 5.268 ( 0.506 -0.369 -1.183) 1.339 5.319 ( 0.647 -3.364 -1.099) 3.598 5.425 ( -1.602 2.917 -2.568) 4.203 5.479 ( -3.804 2.879 -2.632) 5.448 5.491 ( 0.016 -1.872 -6.040) 6.323 5.573 ( -5.318 -3.677 -1.935) 6.749 5.704 ( -4.816 3.648 3.078) 6.780 5.788 ( -3.431 -3.449 5.499) 7.342 6.324 ( -1.424 0.449 -5.919) 6.105 6.390 ( -3.133 -4.711 -5.419) 7.835 6.551 ( -3.533 2.071 -5.360) 6.745 6.585 ( -4.709 -0.596 -7.581) 8.945 6.746 ( 1.446 1.672 -2.966) 3.699 6.756 ( -0.709 2.482 -2.542) 3.623 6.808 ( 3.663 -0.376 -4.375) 5.718 6.868 ( 0.362 0.265 -2.036) 2.085 6.915 ( 1.894 2.697 -0.337) 3.313 6.934 ( -4.961 0.565 -1.871) 5.332 6.967 ( -1.230 -2.320 1.650) 3.101 7.028 ( -3.003 -4.235 -1.215) 5.332 7.104 ( -0.144 2.219 1.617) 2.750 7.198 ( -2.001 -2.717 5.730) 6.650 7.239 ( -1.296 4.578 3.115) 5.687 7.315 ( 2.640 1.975 5.863) 6.726 7.326 ( 0.998 -1.649 0.687) 2.046 7.435 ( 3.043 -5.111 3.156) 6.734 7.485 ( 1.719 3.699 5.407) 6.773 7.578 ( -1.151 -2.271 3.593) 4.403 7.661 ( -2.051 1.502 -2.042) 3.261 7.681 ( -1.814 0.650 -1.261) 2.303 7.750 ( -1.992 4.548 -1.044) 5.073 7.770 ( -3.644 4.224 -2.100) 5.961 7.799 ( -3.482 2.258 -0.654) 4.201 7.836 ( -0.364 0.384 -1.557) 1.645 7.853 ( -3.112 2.089 0.207) 3.754 7.946 ( -4.491 -2.908 -0.397) 5.365 8.001 ( 0.333 0.101 3.944) 3.960 8.093 ( -1.593 -3.983 -2.456) 4.943 8.169 ( -5.490 1.236 -1.495) 5.822 8.240 ( -3.484 -2.331 1.880) 4.595 8.299 ( -4.448 1.762 1.900) 5.148 8.332 ( -2.617 -1.809 1.291) 3.433 8.458 ( 3.452 -1.041 2.289) 4.271 8.502 ( 4.509 -2.707 5.466) 7.586 8.558 ( -0.283 2.037 0.185) 2.065 8.652 ( 3.063 -5.835 8.521) 10.772 8.853 ( 1.419 0.832 4.672) 4.953 8.876 ( -1.135 -0.611 6.670) 6.793 8.962 ( 3.300 4.256 -3.462) 6.402 9.074 ( -3.405 3.187 -0.312) 4.674 9.087 ( -0.524 -5.198 0.445) 5.244 9.128 ( -2.463 -0.004 1.909) 3.116 9.310 ( 5.445 4.844 -1.799) 7.507 9.410 ( 1.517 2.145 -1.298) 2.930 9.426 ( 3.186 -1.083 0.871) 3.475 9.608 ( 1.997 -5.582 -1.032) 6.017 9.751 ( 5.470 1.150 1.324) 5.744 9.803 ( -1.259 -3.369 4.182) 5.516 9.988 ( 11.470 2.187 0.570) 11.690 10.020 ( 7.003 -1.664 -0.034) 7.198 10.144 ( 3.563 6.531 -3.363) 8.164 10.242 ( 6.878 -0.109 -5.430) 8.764 10.358 ( 6.031 5.860 -6.323) 10.521 10.497 ( 7.492 -4.842 1.878) 9.116 10.600 ( -2.249 0.104 2.682) 3.502 10.621 ( -5.198 -2.389 -0.178) 5.723 10.945 ( -2.515 8.144 2.775) 8.964 11.161 ( -0.084 -9.179 -1.483) 9.298 11.505 ( -2.410 1.590 -2.859) 4.064 11.542 ( -1.463 -1.989 -0.913) 2.632 11.845 ( -4.026 3.558 -1.668) 5.626 11.925 ( -7.795 -4.559 1.018) 9.088 12.329 ( 6.406 8.417 -9.848) 14.452 12.478 ( 7.206 -4.539 -10.083) 13.199 13.466 ( -0.444 0.193 -1.523) 1.598 13.471 ( -0.407 0.063 -3.130) 3.157 13.566 ( 1.192 0.041 1.216) 1.703 13.602 ( 1.073 -2.865 4.134) 5.143 13.684 ( 1.043 1.613 2.889) 3.469 13.710 ( 0.985 -0.242 3.703) 3.840 13.835 ( 1.460 1.619 4.513) 5.012 13.869 ( 2.521 -1.352 3.224) 4.310 15.168 ( -2.514 1.133 4.394) 5.187 15.211 ( -2.958 -2.239 5.670) 6.776 15.287 ( -4.070 3.098 -0.389) 5.130 15.346 ( -4.074 -1.426 3.524) 5.572 15.536 ( 0.763 3.036 -7.814) 8.417 15.612 ( 0.708 -3.199 -7.636) 8.309 15.724 ( -0.486 3.087 -2.027) 3.725 15.808 ( 0.303 -3.317 3.770) 5.031 17.017 ( 1.050 0.594 0.627) 1.360 17.034 ( 1.072 -0.749 1.563) 2.038 17.148 ( 0.821 1.138 1.488) 2.045 17.176 ( 1.738 -1.137 2.570) 3.305 17.391 ( 1.857 0.417 1.365) 2.342 17.407 ( 1.590 -0.893 1.786) 2.552 17.525 ( 0.933 0.531 2.751) 2.953 17.539 ( 0.044 -0.516 4.250) 4.282 17.633 ( 3.354 -0.249 -2.582) 4.240 17.663 ( 2.184 -2.273 -2.204) 3.846 17.787 ( -2.164 2.380 -1.021) 3.375 17.805 ( -1.797 0.867 -0.744) 2.130 19.406 ( -0.394 0.069 -0.483) 0.627 19.409 ( -0.274 -0.181 -0.364) 0.490 19.464 ( 0.110 2.775 -1.242) 3.042 19.526 ( -0.127 -2.562 -2.396) 3.510 19.911 ( -2.045 0.596 -7.496) 7.793 19.927 ( -1.103 -0.612 -7.273) 7.382 20.032 ( -1.874 1.690 -3.374) 4.214 20.068 ( -1.751 -1.148 -3.844) 4.377 20.275 ( -0.054 0.600 1.051) 1.211 20.291 ( 0.078 -0.619 0.784) 1.002 20.336 ( 0.215 0.604 0.518) 0.824 20.351 ( 0.296 -0.594 0.524) 0.845 21.157 ( -0.851 0.834 -4.339) 4.500 21.184 ( -0.566 -1.434 -4.896) 5.133 21.260 ( 0.951 0.930 -5.705) 5.858 21.267 ( 1.334 0.482 -6.068) 6.231 22.006 ( 0.099 0.125 0.341) 0.376 22.009 ( 0.051 -0.137 0.367) 0.395 22.050 ( 0.065 0.197 0.064) 0.217 22.057 ( 0.393 -0.411 0.417) 0.705 23.653 ( 0.528 0.262 -1.007) 1.167 23.660 ( 0.375 -0.350 -0.837) 0.981 23.746 ( -0.721 1.047 -0.278) 1.301 23.764 ( -0.496 -0.507 -0.390) 0.810 26.608 ( 3.866 0.778 -1.584) 4.250 26.637 ( 3.190 -1.603 -1.404) 3.836 26.682 ( -0.086 0.355 -0.403) 0.544 26.687 ( 0.923 -0.067 -0.422) 1.017 26.768 ( 0.593 1.565 -2.057) 2.652 26.796 ( 0.300 -0.637 -2.590) 2.684 26.947 ( -1.731 0.830 -1.191) 2.259 26.977 ( -2.051 -1.524 -1.519) 2.973 27.075 ( -2.521 0.666 5.931) 6.479 27.096 ( -1.989 -1.113 5.905) 6.329 27.182 ( -0.493 1.210 7.558) 7.670 27.206 ( -0.270 -0.741 7.737) 7.777 30.546 ( 0.097 0.150 0.579) 0.606 30.550 ( 0.325 -0.264 0.968) 1.054 30.600 ( 0.061 0.020 -0.117) 0.134 30.601 ( 0.079 -0.074 -0.075) 0.132 31.770 ( -0.412 0.178 1.001) 1.097 31.777 ( -0.571 -0.453 1.061) 1.287 32.072 ( 3.898 4.953 -5.278) 8.221 32.139 ( 4.067 -1.075 -5.192) 6.683 32.674 ( 0.616 1.528 5.419) 5.664 32.715 ( 3.114 -1.750 6.807) 7.687 32.887 ( -0.498 1.655 0.527) 1.807 32.927 ( -1.825 -1.624 1.471) 2.851 33.079 ( -0.875 0.879 -0.022) 1.240 33.115 ( -1.920 -2.275 0.353) 2.998 33.298 ( -9.025 6.105 1.080) 10.949 33.446 ( -3.741 -5.428 1.840) 6.844 33.504 ( 0.812 1.550 1.659) 2.411 33.579 ( -3.223 -5.815 -0.111) 6.650 33.863 ( 3.699 2.995 -3.469) 5.890 33.929 ( 4.301 -2.269 -3.547) 6.019 34.294 ( 0.242 9.178 -1.938) 9.384 34.516 ( -2.333 -8.382 -3.557) 9.399 34.762 ( -9.552 -0.761 -6.253) 11.442 34.800 ( -13.721 -4.496 -12.871) 19.343 36.065 ( -0.449 1.692 8.884) 9.055 36.129 ( -0.004 -3.111 8.290) 8.854 36.193 ( -0.051 0.080 8.315) 8.315 36.219 ( 1.734 -3.877 13.694) 14.337 37.875 ( 0.441 1.572 -5.456) 5.696 37.903 ( 0.443 -0.468 -5.327) 5.366 37.974 ( -0.380 4.136 -6.902) 8.055 38.076 ( -3.810 -4.533 -10.286) 11.869 ======================= Grid point 30 (17/36) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -1.366 0.000 25.195) 25.232 1.049 ( -18.660 0.000 24.649) 30.915 1.427 ( 6.196 0.000 25.538) 26.279 1.678 ( 0.427 0.000 -3.368) 3.395 1.891 ( -0.352 0.000 -13.318) 13.322 1.951 ( 0.261 0.000 -1.609) 1.630 2.081 ( 2.649 0.000 2.442) 3.603 2.147 ( 0.894 0.000 -13.312) 13.342 2.221 ( -0.477 0.000 -13.281) 13.290 2.339 ( 2.429 0.000 -18.546) 18.705 2.354 ( 5.879 0.000 -1.682) 6.115 2.384 ( -4.027 0.000 -1.705) 4.373 2.465 ( -0.248 0.000 -4.144) 4.152 2.477 ( -1.862 0.000 -4.573) 4.938 2.647 ( -0.644 0.000 3.193) 3.257 2.714 ( -2.751 0.000 -7.075) 7.591 2.715 ( -1.932 0.000 1.520) 2.458 2.814 ( 0.069 0.000 -4.262) 4.262 2.874 ( 7.697 0.000 -3.511) 8.460 2.881 ( 3.126 0.000 -3.399) 4.618 2.919 ( -2.295 0.000 -1.512) 2.749 2.979 ( -3.180 0.000 -1.255) 3.419 2.987 ( -2.115 0.000 -4.820) 5.264 3.033 ( -4.448 0.000 6.013) 7.479 3.131 ( -2.015 0.000 -5.513) 5.870 3.220 ( -2.400 0.000 -4.159) 4.802 3.232 ( 1.506 0.000 1.467) 2.103 3.325 ( 2.690 0.000 -4.420) 5.174 3.335 ( -1.321 0.000 2.062) 2.449 3.370 ( 1.263 0.000 -3.447) 3.672 3.415 ( -3.421 0.000 -1.296) 3.658 3.481 ( -0.150 0.000 -1.941) 1.947 3.502 ( 0.597 0.000 -8.002) 8.024 3.561 ( 7.306 0.000 0.555) 7.327 3.607 ( 3.382 0.000 2.183) 4.025 3.618 ( 3.598 0.000 -1.117) 3.767 3.648 ( -0.478 0.000 0.241) 0.536 3.674 ( -6.122 0.000 -0.675) 6.159 3.677 ( 2.280 0.000 -1.892) 2.963 3.765 ( -3.680 0.000 2.694) 4.561 3.805 ( 0.993 0.000 -2.739) 2.913 3.813 ( -4.320 0.000 1.232) 4.492 3.851 ( 5.447 0.000 -0.821) 5.508 3.869 ( -4.350 0.000 -2.929) 5.244 3.902 ( 0.820 0.000 -0.931) 1.241 3.992 ( 1.172 0.000 1.478) 1.886 3.993 ( 0.369 0.000 -3.105) 3.127 4.038 ( -0.460 0.000 0.097) 0.471 4.117 ( -2.288 0.000 9.016) 9.302 4.274 ( -0.994 0.000 9.257) 9.310 4.290 ( 0.245 0.000 2.478) 2.490 4.326 ( -3.306 0.000 7.608) 8.295 4.327 ( -5.901 0.000 1.201) 6.022 4.395 ( 1.891 0.000 0.755) 2.036 4.416 ( 1.916 0.000 -1.589) 2.489 4.468 ( 2.331 0.000 4.687) 5.235 4.555 ( -1.588 0.000 6.259) 6.457 4.627 ( 0.119 0.000 4.793) 4.794 4.639 ( 1.387 0.000 0.308) 1.421 4.659 ( -0.299 0.000 1.281) 1.315 4.721 ( -1.093 0.000 5.221) 5.334 4.778 ( 2.302 0.000 4.382) 4.950 4.812 ( -5.950 0.000 0.927) 6.022 4.873 ( 4.788 0.000 5.629) 7.390 4.892 ( 2.624 0.000 -2.165) 3.402 4.956 ( -2.490 0.000 0.149) 2.494 5.070 ( -0.812 0.000 6.574) 6.624 5.126 ( 2.679 0.000 -4.656) 5.372 5.153 ( -8.310 0.000 -3.472) 9.006 5.192 ( -3.604 0.000 9.394) 10.062 5.208 ( -0.184 0.000 -3.336) 3.341 5.346 ( -1.488 0.000 -5.807) 5.994 5.420 ( 2.041 0.000 -1.813) 2.730 5.436 ( 1.039 0.000 4.791) 4.903 5.449 ( 6.419 0.000 -0.180) 6.422 5.570 ( 3.827 0.000 -0.368) 3.845 5.671 ( 6.404 0.000 2.546) 6.892 5.991 ( 2.274 0.000 8.039) 8.355 6.218 ( -5.538 0.000 -0.440) 5.556 6.282 ( -0.236 0.000 -4.403) 4.409 6.328 ( -3.972 0.000 -10.298) 11.038 6.404 ( -2.869 0.000 -3.699) 4.681 6.446 ( -4.302 0.000 -9.567) 10.490 6.578 ( -0.609 0.000 -9.322) 9.342 6.632 ( 1.185 0.000 -7.599) 7.690 6.815 ( 1.391 0.000 2.049) 2.477 6.819 ( 0.531 0.000 -7.063) 7.083 6.942 ( -1.770 0.000 0.742) 1.919 7.054 ( -3.069 0.000 -2.002) 3.664 7.107 ( 3.916 0.000 1.293) 4.124 7.195 ( 4.288 0.000 1.695) 4.611 7.272 ( 2.120 0.000 0.504) 2.179 7.338 ( 4.242 0.000 8.339) 9.356 7.385 ( -1.751 0.000 -0.232) 1.766 7.387 ( -2.759 0.000 -0.273) 2.773 7.501 ( -0.118 0.000 0.778) 0.787 7.540 ( 3.951 0.000 1.909) 4.388 7.568 ( -1.926 0.000 -0.637) 2.029 7.579 ( 5.045 0.000 -2.067) 5.452 7.640 ( -1.772 0.000 2.292) 2.897 7.644 ( -0.783 0.000 -1.995) 2.143 7.704 ( 1.994 0.000 0.134) 1.999 7.770 ( 0.391 0.000 -0.938) 1.016 7.839 ( 1.509 0.000 2.906) 3.275 7.914 ( 2.336 0.000 1.930) 3.030 7.919 ( 9.035 0.000 -6.104) 10.903 7.997 ( -1.397 0.000 6.389) 6.539 8.010 ( -4.833 0.000 -4.225) 6.419 8.103 ( -5.098 0.000 -0.752) 5.153 8.236 ( 1.388 0.000 4.474) 4.685 8.315 ( -1.842 0.000 -0.399) 1.885 8.370 ( -3.893 0.000 2.650) 4.709 8.418 ( 2.257 0.000 -3.953) 4.552 8.518 ( 0.822 0.000 5.461) 5.522 8.735 ( 1.136 0.000 0.518) 1.249 8.810 ( -2.171 0.000 -1.853) 2.855 8.910 ( -3.961 0.000 -5.781) 7.008 8.942 ( 4.916 0.000 3.245) 5.891 8.971 ( 2.732 0.000 0.534) 2.784 9.000 ( -3.353 0.000 0.058) 3.354 9.123 ( -3.508 0.000 0.906) 3.623 9.290 ( 2.377 0.000 18.864) 19.013 9.314 ( 0.132 0.000 -2.661) 2.665 9.507 ( 2.541 0.000 4.441) 5.117 9.585 ( 0.131 0.000 0.386) 0.408 9.639 ( -9.487 0.000 7.719) 12.230 9.668 ( -7.142 0.000 0.153) 7.144 9.802 ( -2.406 0.000 1.293) 2.732 10.027 ( -1.036 0.000 -2.413) 2.626 10.091 ( 6.782 0.000 -2.182) 7.124 10.137 ( 0.261 0.000 2.303) 2.318 10.236 ( -6.394 0.000 -3.457) 7.269 10.305 ( 8.889 0.000 -1.974) 9.105 10.432 ( 3.441 0.000 -3.422) 4.852 10.726 ( -5.989 0.000 0.271) 5.996 10.828 ( 12.954 0.000 4.409) 13.684 10.929 ( 4.370 0.000 9.441) 10.404 11.172 ( 7.140 0.000 -8.110) 10.805 11.324 ( 1.254 0.000 -4.332) 4.510 11.571 ( -6.744 0.000 -7.645) 10.194 11.681 ( 0.748 0.000 -0.060) 0.750 11.974 ( -6.521 0.000 5.032) 8.237 12.047 ( -4.593 0.000 -7.138) 8.488 12.312 ( -0.709 0.000 -12.934) 12.953 13.399 ( 0.330 0.000 -3.466) 3.481 13.411 ( -0.339 0.000 -4.537) 4.550 13.562 ( 3.298 0.000 -5.691) 6.578 13.612 ( 1.196 0.000 -7.015) 7.116 13.851 ( 1.313 0.000 10.989) 11.068 13.922 ( -2.270 0.000 7.707) 8.034 13.979 ( 0.630 0.000 12.941) 12.956 14.051 ( 0.955 0.000 12.883) 12.919 15.119 ( -3.086 0.000 -3.712) 4.828 15.185 ( 0.443 0.000 1.569) 1.630 15.296 ( -1.329 0.000 -5.700) 5.853 15.314 ( 1.417 0.000 5.991) 6.156 15.352 ( 1.883 0.000 -8.673) 8.875 15.549 ( -0.444 0.000 -4.534) 4.556 15.699 ( -0.121 0.000 6.677) 6.678 15.968 ( -0.257 0.000 4.763) 4.770 17.077 ( 0.487 0.000 3.694) 3.726 17.118 ( -1.711 0.000 4.914) 5.204 17.142 ( -1.844 0.000 1.509) 2.382 17.279 ( -0.755 0.000 3.360) 3.444 17.507 ( 1.780 0.000 3.817) 4.212 17.544 ( 2.762 0.000 4.839) 5.571 17.545 ( -2.192 0.000 -0.674) 2.293 17.599 ( 1.594 0.000 2.731) 3.162 17.625 ( -0.080 0.000 -2.756) 2.757 17.669 ( 1.663 0.000 -5.517) 5.762 17.669 ( 0.402 0.000 -0.554) 0.684 17.691 ( -2.662 0.000 -4.106) 4.893 19.394 ( -0.337 0.000 -0.642) 0.726 19.399 ( 0.240 0.000 -0.644) 0.688 19.401 ( -0.050 0.000 -0.480) 0.483 19.470 ( -0.713 0.000 -3.526) 3.597 19.731 ( 0.407 0.000 -7.165) 7.176 19.802 ( 2.546 0.000 -8.377) 8.756 19.895 ( -0.165 0.000 -5.293) 5.296 19.932 ( -1.590 0.000 -6.830) 7.013 20.296 ( 0.089 0.000 1.680) 1.682 20.317 ( 0.025 0.000 0.970) 0.971 20.344 ( 0.160 0.000 0.494) 0.519 20.362 ( -0.245 0.000 -0.335) 0.415 21.060 ( -0.194 0.000 -3.518) 3.524 21.092 ( 0.203 0.000 -5.025) 5.029 21.137 ( -0.059 0.000 -5.961) 5.962 21.141 ( -0.094 0.000 -5.794) 5.794 22.015 ( 0.022 0.000 0.579) 0.579 22.023 ( 0.028 0.000 0.792) 0.792 22.046 ( -0.011 0.000 -0.253) 0.253 22.077 ( -0.028 0.000 -0.783) 0.784 23.637 ( 0.214 0.000 -0.785) 0.814 23.654 ( 0.205 0.000 -0.741) 0.768 23.716 ( -0.344 0.000 0.537) 0.638 23.754 ( -0.032 0.000 -0.647) 0.648 26.652 ( -0.556 0.000 -0.173) 0.583 26.665 ( 1.431 0.000 -0.243) 1.451 26.669 ( 1.556 0.000 0.307) 1.586 26.723 ( -0.359 0.000 -0.722) 0.806 26.725 ( -0.419 0.000 -0.496) 0.649 26.761 ( -0.758 0.000 -1.350) 1.548 26.837 ( -2.087 0.000 -3.591) 4.154 26.854 ( -0.226 0.000 -4.368) 4.374 27.212 ( 0.445 0.000 7.985) 7.997 27.268 ( 0.607 0.000 8.442) 8.464 27.303 ( 0.421 0.000 6.675) 6.688 27.349 ( -0.475 0.000 6.584) 6.601 30.559 ( 0.120 0.000 0.799) 0.808 30.589 ( 0.191 0.000 0.272) 0.332 30.596 ( -0.055 0.000 -0.360) 0.364 30.601 ( 0.005 0.000 -0.105) 0.105 31.798 ( -0.143 0.000 2.607) 2.611 31.807 ( -0.152 0.000 2.199) 2.204 31.948 ( 0.177 0.000 -2.145) 2.152 32.075 ( -0.218 0.000 -6.345) 6.349 32.746 ( 0.623 0.000 4.470) 4.514 32.864 ( 1.089 0.000 -0.888) 1.405 32.901 ( -2.970 0.000 0.422) 3.000 32.963 ( 7.433 0.000 -1.454) 7.574 33.069 ( -3.332 0.000 1.459) 3.638 33.091 ( 1.917 0.000 0.795) 2.075 33.245 ( 1.093 0.000 3.814) 3.967 33.520 ( -7.297 0.000 -4.164) 8.402 33.526 ( -1.403 0.000 2.603) 2.957 33.590 ( 0.417 0.000 4.008) 4.030 33.781 ( 1.078 0.000 -5.296) 5.405 33.907 ( 0.234 0.000 -6.293) 6.297 34.155 ( -0.171 0.000 0.754) 0.773 34.337 ( -0.694 0.000 -5.123) 5.170 34.564 ( 0.078 0.000 -0.221) 0.234 34.650 ( 1.703 0.000 -2.638) 3.140 36.220 ( 0.066 0.000 10.368) 10.369 36.288 ( 0.027 0.000 7.999) 8.000 36.378 ( 0.104 0.000 11.026) 11.027 36.602 ( -1.385 0.000 3.755) 4.003 37.741 ( 0.066 0.000 -5.550) 5.550 37.760 ( 0.369 0.000 -6.531) 6.542 37.800 ( -0.181 0.000 -8.380) 8.382 37.859 ( 0.903 0.000 -9.192) 9.237 ======================= Grid point 31 (18/36) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 5.012 0.000 20.646) 21.246 1.094 ( 15.949 0.000 17.731) 23.849 1.636 ( 5.866 0.000 -0.959) 5.944 1.689 ( 0.632 0.000 -4.328) 4.374 1.848 ( -3.562 0.000 -13.792) 14.245 1.954 ( 2.322 0.000 4.556) 5.114 2.121 ( -2.411 0.000 -13.246) 13.464 2.186 ( -1.951 0.000 -10.650) 10.827 2.274 ( 15.231 0.000 9.703) 18.059 2.321 ( -3.883 0.000 2.195) 4.460 2.411 ( 3.555 0.000 -17.346) 17.707 2.437 ( -3.048 0.000 0.720) 3.132 2.499 ( 5.794 0.000 -4.222) 7.169 2.531 ( 5.810 0.000 -6.892) 9.014 2.613 ( -2.587 0.000 -1.485) 2.983 2.623 ( -1.928 0.000 -6.685) 6.958 2.673 ( -1.029 0.000 4.618) 4.731 2.814 ( -0.389 0.000 -4.051) 4.070 2.872 ( -3.529 0.000 -6.528) 7.421 2.895 ( -0.439 0.000 -1.960) 2.009 2.906 ( -3.376 0.000 0.066) 3.377 2.921 ( -0.686 0.000 1.073) 1.274 2.999 ( 2.002 0.000 -2.740) 3.393 3.003 ( -1.994 0.000 1.224) 2.339 3.088 ( -0.385 0.000 -2.807) 2.833 3.118 ( -3.971 0.000 -3.695) 5.424 3.232 ( -1.991 0.000 1.616) 2.565 3.287 ( -1.545 0.000 -1.378) 2.070 3.295 ( -3.982 0.000 -3.707) 5.440 3.341 ( -4.592 0.000 -5.059) 6.832 3.375 ( -1.648 0.000 -0.911) 1.883 3.406 ( -5.688 0.000 -0.263) 5.694 3.506 ( -1.499 0.000 -7.727) 7.871 3.549 ( -1.314 0.000 -5.531) 5.685 3.549 ( -9.159 0.000 -2.854) 9.593 3.649 ( -4.328 0.000 1.865) 4.713 3.652 ( 0.397 0.000 0.723) 0.825 3.667 ( -2.331 0.000 0.086) 2.333 3.691 ( 2.934 0.000 -1.946) 3.521 3.750 ( 1.624 0.000 -3.812) 4.144 3.753 ( 2.713 0.000 0.364) 2.737 3.850 ( 6.233 0.000 0.075) 6.234 3.871 ( 1.260 0.000 -0.224) 1.279 3.925 ( 0.520 0.000 -2.362) 2.418 3.984 ( 4.148 0.000 1.476) 4.402 3.989 ( -2.518 0.000 -3.994) 4.721 4.030 ( 3.803 0.000 2.951) 4.813 4.056 ( -0.837 0.000 4.429) 4.508 4.096 ( 5.356 0.000 -3.782) 6.556 4.175 ( -5.681 0.000 3.554) 6.701 4.266 ( -2.587 0.000 6.888) 7.358 4.320 ( 0.650 0.000 1.543) 1.674 4.321 ( 2.821 0.000 7.346) 7.869 4.380 ( -2.326 0.000 0.534) 2.387 4.421 ( -1.603 0.000 -0.990) 1.884 4.539 ( 1.781 0.000 5.026) 5.332 4.542 ( -0.714 0.000 3.950) 4.014 4.601 ( -4.292 0.000 0.514) 4.323 4.614 ( -0.094 0.000 6.104) 6.105 4.654 ( -0.164 0.000 1.397) 1.407 4.671 ( -3.652 0.000 5.618) 6.701 4.743 ( -0.810 0.000 6.698) 6.747 4.763 ( -1.161 0.000 8.965) 9.039 4.894 ( -0.654 0.000 2.589) 2.670 4.902 ( -3.109 0.000 4.450) 5.428 4.927 ( 0.545 0.000 -4.316) 4.350 4.962 ( -5.869 0.000 -1.956) 6.186 5.055 ( -0.600 0.000 -5.476) 5.509 5.103 ( -3.320 0.000 23.939) 24.168 5.168 ( -0.190 0.000 -2.621) 2.628 5.223 ( 0.643 0.000 -4.492) 4.538 5.290 ( -2.318 0.000 -3.247) 3.990 5.408 ( -2.426 0.000 -4.190) 4.842 5.480 ( 0.808 0.000 -3.235) 3.334 5.560 ( 3.813 0.000 0.531) 3.850 5.656 ( 4.078 0.000 2.118) 4.595 5.907 ( 12.991 0.000 6.627) 14.584 6.018 ( 0.749 0.000 6.708) 6.750 6.227 ( 0.918 0.000 -4.066) 4.168 6.279 ( 0.170 0.000 -11.317) 11.318 6.322 ( 4.070 0.000 -1.136) 4.226 6.325 ( -2.104 0.000 -6.988) 7.298 6.443 ( 5.371 0.000 -5.316) 7.557 6.564 ( -1.020 0.000 -8.493) 8.555 6.655 ( -0.068 0.000 -7.819) 7.819 6.755 ( -4.644 0.000 2.970) 5.513 6.840 ( 1.656 0.000 -5.059) 5.323 6.920 ( -0.415 0.000 -2.906) 2.935 7.039 ( 0.596 0.000 2.962) 3.022 7.243 ( -0.386 0.000 -0.695) 0.795 7.260 ( 10.107 0.000 2.576) 10.430 7.309 ( -1.976 0.000 -5.124) 5.492 7.387 ( 1.434 0.000 0.885) 1.685 7.408 ( 6.731 0.000 4.767) 8.248 7.414 ( 1.423 0.000 5.437) 5.620 7.485 ( -0.755 0.000 3.800) 3.874 7.514 ( -7.542 0.000 4.084) 8.576 7.560 ( -4.226 0.000 6.367) 7.642 7.619 ( 5.633 0.000 0.473) 5.653 7.650 ( 3.574 0.000 -1.778) 3.992 7.666 ( 1.797 0.000 -0.463) 1.855 7.760 ( -2.343 0.000 0.761) 2.464 7.843 ( 4.938 0.000 -3.654) 6.143 7.873 ( 4.322 0.000 -4.665) 6.360 7.970 ( 4.294 0.000 -2.072) 4.768 7.975 ( 2.863 0.000 4.281) 5.150 8.004 ( 1.909 0.000 4.422) 4.816 8.046 ( -0.494 0.000 -0.331) 0.594 8.090 ( 4.194 0.000 -5.957) 7.285 8.293 ( 1.848 0.000 7.417) 7.644 8.305 ( 2.148 0.000 -1.330) 2.526 8.361 ( 4.375 0.000 -2.723) 5.153 8.453 ( -0.168 0.000 0.415) 0.448 8.490 ( -0.736 0.000 -4.044) 4.110 8.723 ( -1.049 0.000 -0.256) 1.079 8.788 ( -5.069 0.000 -1.847) 5.395 8.800 ( 0.937 0.000 -0.002) 0.937 8.910 ( -3.816 0.000 3.883) 5.444 8.942 ( -4.621 0.000 -2.960) 5.488 9.042 ( 3.422 0.000 7.205) 7.976 9.081 ( -0.439 0.000 0.700) 0.826 9.237 ( -6.394 0.000 2.492) 6.862 9.341 ( -7.797 0.000 11.820) 14.160 9.425 ( -1.763 0.000 -3.344) 3.780 9.516 ( 1.324 0.000 7.545) 7.660 9.547 ( -1.009 0.000 2.333) 2.542 9.598 ( -1.896 0.000 6.621) 6.887 9.837 ( 3.926 0.000 0.783) 4.004 9.901 ( -9.421 0.000 -0.606) 9.441 10.079 ( -5.618 0.000 0.835) 5.680 10.176 ( 3.747 0.000 0.394) 3.768 10.193 ( 2.024 0.000 -2.563) 3.265 10.396 ( -7.101 0.000 -4.129) 8.214 10.449 ( -10.853 0.000 7.887) 13.417 10.476 ( 1.448 0.000 1.282) 1.934 11.069 ( 4.257 0.000 -0.849) 4.341 11.149 ( 10.562 0.000 -10.830) 15.127 11.325 ( -6.589 0.000 -11.054) 12.869 11.411 ( 5.736 0.000 -3.380) 6.658 11.414 ( 7.175 0.000 -0.194) 7.178 11.634 ( -2.893 0.000 11.159) 11.528 11.913 ( 0.989 0.000 -2.942) 3.104 11.932 ( -5.685 0.000 -10.599) 12.028 12.241 ( -5.372 0.000 -9.308) 10.747 13.396 ( -0.699 0.000 -4.443) 4.498 13.406 ( 0.270 0.000 -3.404) 3.415 13.591 ( -0.978 0.000 -6.832) 6.901 13.608 ( -1.500 0.000 -7.316) 7.469 13.825 ( -5.030 0.000 8.943) 10.260 13.869 ( 0.280 0.000 10.745) 10.748 14.006 ( 1.399 0.000 13.020) 13.095 14.047 ( -1.261 0.000 13.849) 13.906 15.098 ( 1.289 0.000 -5.407) 5.558 15.205 ( 2.161 0.000 0.304) 2.182 15.317 ( 2.260 0.000 -5.551) 5.993 15.374 ( 0.112 0.000 -6.324) 6.325 15.385 ( 4.566 0.000 5.997) 7.537 15.553 ( 0.144 0.000 -5.774) 5.776 15.739 ( 3.498 0.000 10.130) 10.717 15.964 ( -0.251 0.000 5.193) 5.199 17.030 ( -4.229 0.000 2.698) 5.017 17.054 ( -3.642 0.000 2.840) 4.618 17.090 ( -2.874 0.000 -0.202) 2.881 17.230 ( -3.483 0.000 1.784) 3.914 17.441 ( -5.483 0.000 1.172) 5.607 17.499 ( -4.649 0.000 2.339) 5.204 17.508 ( -0.853 0.000 -2.115) 2.280 17.597 ( -0.320 0.000 -2.507) 2.528 17.668 ( 2.806 0.000 2.663) 3.868 17.724 ( 3.343 0.000 1.571) 3.694 17.729 ( 3.470 0.000 0.442) 3.498 17.740 ( 3.698 0.000 -0.848) 3.794 19.394 ( 0.229 0.000 -0.655) 0.694 19.403 ( 0.289 0.000 -0.393) 0.487 19.413 ( 0.902 0.000 -0.713) 1.149 19.471 ( 0.475 0.000 -3.644) 3.675 19.753 ( 1.473 0.000 -8.287) 8.417 19.845 ( 0.496 0.000 -8.990) 9.004 19.921 ( 2.267 0.000 -5.416) 5.871 19.929 ( 1.966 0.000 -6.281) 6.581 20.298 ( 0.147 0.000 1.649) 1.656 20.315 ( -0.236 0.000 0.923) 0.952 20.344 ( -0.179 0.000 0.393) 0.432 20.354 ( -0.362 0.000 -0.045) 0.365 21.058 ( 0.094 0.000 -4.076) 4.077 21.104 ( 0.633 0.000 -5.149) 5.188 21.123 ( -0.854 0.000 -5.969) 6.029 21.140 ( -0.140 0.000 -5.576) 5.578 22.014 ( -0.110 0.000 0.583) 0.593 22.023 ( -0.062 0.000 0.745) 0.748 22.045 ( -0.055 0.000 -0.274) 0.279 22.066 ( -0.773 0.000 -0.357) 0.851 23.639 ( -0.039 0.000 -0.666) 0.667 23.659 ( 0.270 0.000 -0.698) 0.748 23.721 ( 0.810 0.000 0.380) 0.894 23.758 ( 0.394 0.000 -0.622) 0.736 26.601 ( -4.792 0.000 -0.918) 4.879 26.633 ( -1.161 0.000 -2.366) 2.636 26.653 ( -4.547 0.000 -0.947) 4.645 26.700 ( 1.270 0.000 0.742) 1.471 26.719 ( -0.154 0.000 0.817) 0.832 26.744 ( -0.636 0.000 -1.352) 1.495 26.859 ( 2.699 0.000 -2.642) 3.777 26.909 ( 3.208 0.000 -3.230) 4.553 27.233 ( 1.275 0.000 7.017) 7.132 27.283 ( 0.679 0.000 8.204) 8.232 27.319 ( 0.926 0.000 6.435) 6.501 27.344 ( 0.023 0.000 6.641) 6.641 30.560 ( -0.062 0.000 0.779) 0.782 30.579 ( -0.835 0.000 0.617) 1.039 30.594 ( -0.120 0.000 -0.434) 0.450 30.600 ( -0.139 0.000 -0.170) 0.220 31.801 ( 0.438 0.000 2.437) 2.476 31.807 ( 0.113 0.000 2.148) 2.151 31.952 ( 0.228 0.000 -2.128) 2.140 32.046 ( -2.230 0.000 -5.509) 5.943 32.762 ( 0.441 0.000 4.859) 4.879 32.866 ( -0.467 0.000 0.164) 0.495 32.909 ( 2.819 0.000 -0.615) 2.885 33.014 ( -4.423 0.000 5.069) 6.727 33.113 ( 8.204 0.000 -1.816) 8.403 33.153 ( 3.498 0.000 1.458) 3.790 33.235 ( -1.550 0.000 4.064) 4.349 33.424 ( 0.654 0.000 -7.222) 7.252 33.485 ( -2.123 0.000 2.306) 3.134 33.582 ( -1.330 0.000 4.392) 4.589 33.771 ( -2.014 0.000 -4.525) 4.953 33.887 ( -2.094 0.000 -4.814) 5.250 34.160 ( 0.523 0.000 0.838) 0.988 34.452 ( 7.797 0.000 -11.842) 14.179 34.579 ( 1.151 0.000 -0.911) 1.467 34.762 ( 7.334 0.000 -7.652) 10.599 36.236 ( 1.253 0.000 10.709) 10.782 36.298 ( 0.795 0.000 8.203) 8.242 36.382 ( 0.159 0.000 11.196) 11.197 36.523 ( -4.845 0.000 7.800) 9.182 37.745 ( 0.253 0.000 -5.870) 5.876 37.768 ( 0.507 0.000 -7.068) 7.086 37.787 ( -0.848 0.000 -8.277) 8.320 37.915 ( 3.004 0.000 -12.582) 12.936 ======================= Grid point 32 (19/36) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 21.180 0.000 -0.200) 21.181 1.482 ( 18.538 0.000 5.236) 19.263 1.624 ( -4.828 0.000 -7.633) 9.032 1.690 ( -0.871 0.000 -9.274) 9.314 1.805 ( -0.214 0.000 -11.081) 11.083 1.979 ( -11.741 0.000 -1.320) 11.815 2.017 ( 1.333 0.000 -5.212) 5.380 2.146 ( -2.591 0.000 -2.328) 3.484 2.236 ( -3.074 0.000 -5.772) 6.539 2.353 ( -1.300 0.000 -3.962) 4.170 2.434 ( -0.336 0.000 -7.417) 7.425 2.470 ( -3.771 0.000 -1.482) 4.052 2.549 ( 3.218 0.000 -2.076) 3.829 2.589 ( 1.050 0.000 -6.885) 6.964 2.651 ( -0.927 0.000 4.278) 4.378 2.723 ( 3.960 0.000 -6.767) 7.840 2.730 ( -2.607 0.000 -4.701) 5.376 2.752 ( 5.785 0.000 -10.377) 11.880 2.846 ( 1.408 0.000 0.750) 1.596 2.860 ( -5.539 0.000 1.803) 5.825 2.903 ( 14.026 0.000 5.330) 15.004 2.948 ( 1.795 0.000 -0.657) 1.912 2.972 ( 6.000 0.000 -2.995) 6.707 3.060 ( 3.526 0.000 0.125) 3.528 3.071 ( -1.138 0.000 -1.830) 2.155 3.148 ( -1.162 0.000 -3.615) 3.798 3.187 ( -2.542 0.000 -1.250) 2.833 3.224 ( -2.439 0.000 -5.095) 5.649 3.236 ( -2.244 0.000 -0.608) 2.325 3.279 ( 2.672 0.000 -4.523) 5.253 3.291 ( -5.498 0.000 -2.224) 5.931 3.313 ( -1.852 0.000 -0.308) 1.877 3.392 ( -4.248 0.000 -2.708) 5.038 3.458 ( -2.392 0.000 -4.023) 4.680 3.480 ( -6.406 0.000 -3.411) 7.258 3.592 ( -5.048 0.000 0.669) 5.092 3.603 ( 0.931 0.000 -6.835) 6.898 3.665 ( 1.821 0.000 -1.029) 2.092 3.746 ( 2.732 0.000 1.083) 2.938 3.747 ( -5.044 0.000 1.072) 5.156 3.826 ( -3.969 0.000 -4.598) 6.074 3.849 ( 3.692 0.000 -2.754) 4.606 3.892 ( 1.355 0.000 1.187) 1.802 3.925 ( -0.254 0.000 -3.690) 3.699 3.989 ( -3.590 0.000 4.306) 5.606 4.037 ( 5.238 0.000 -3.201) 6.139 4.040 ( -0.694 0.000 2.041) 2.156 4.104 ( -0.391 0.000 2.627) 2.656 4.156 ( 5.038 0.000 1.593) 5.284 4.184 ( -2.394 0.000 0.947) 2.574 4.243 ( 7.532 0.000 -5.036) 9.060 4.288 ( -10.409 0.000 4.400) 11.301 4.313 ( -0.894 0.000 -0.396) 0.977 4.371 ( 0.730 0.000 -0.239) 0.768 4.395 ( 0.649 0.000 5.034) 5.075 4.427 ( 2.712 0.000 5.779) 6.384 4.480 ( -5.796 0.000 2.994) 6.524 4.587 ( 0.177 0.000 2.580) 2.586 4.597 ( -1.882 0.000 3.603) 4.065 4.628 ( -2.101 0.000 0.618) 2.190 4.670 ( 0.560 0.000 8.361) 8.379 4.761 ( 2.013 0.000 10.474) 10.666 4.786 ( -1.307 0.000 6.549) 6.678 4.805 ( -2.450 0.000 10.562) 10.843 4.927 ( 2.557 0.000 5.370) 5.948 4.940 ( 1.810 0.000 -0.281) 1.832 4.951 ( 2.660 0.000 -2.732) 3.813 5.005 ( -1.920 0.000 17.672) 17.776 5.129 ( 4.083 0.000 3.768) 5.556 5.133 ( -3.539 0.000 -2.352) 4.249 5.204 ( -0.486 0.000 1.265) 1.355 5.272 ( 0.423 0.000 -3.686) 3.710 5.352 ( -2.199 0.000 -5.017) 5.478 5.445 ( -3.745 0.000 -8.507) 9.295 5.592 ( -1.166 0.000 -1.865) 2.199 5.726 ( 2.016 0.000 2.641) 3.323 5.986 ( -5.550 0.000 2.561) 6.112 6.118 ( 2.440 0.000 2.578) 3.549 6.177 ( 5.015 0.000 1.483) 5.230 6.326 ( 3.619 0.000 -11.559) 12.112 6.426 ( 4.761 0.000 -0.920) 4.849 6.462 ( 8.640 0.000 1.747) 8.815 6.520 ( 0.140 0.000 -17.475) 17.475 6.566 ( -5.746 0.000 -3.275) 6.614 6.613 ( 6.546 0.000 -0.358) 6.556 6.733 ( 0.440 0.000 -0.055) 0.444 6.844 ( -1.371 0.000 -2.724) 3.050 6.914 ( -0.241 0.000 -4.346) 4.353 7.029 ( -1.006 0.000 3.006) 3.170 7.215 ( -1.626 0.000 -1.039) 1.930 7.258 ( -2.081 0.000 -4.437) 4.901 7.350 ( -6.864 0.000 -1.836) 7.106 7.378 ( -3.373 0.000 9.141) 9.743 7.403 ( -0.267 0.000 0.319) 0.416 7.461 ( -5.662 0.000 7.434) 9.345 7.474 ( 7.135 0.000 5.313) 8.896 7.503 ( 2.745 0.000 8.549) 8.979 7.560 ( 5.645 0.000 1.250) 5.781 7.612 ( -3.572 0.000 -0.408) 3.595 7.668 ( 0.875 0.000 0.116) 0.882 7.724 ( 1.113 0.000 2.349) 2.599 7.777 ( 4.104 0.000 4.297) 5.942 7.935 ( 0.670 0.000 -0.780) 1.028 7.951 ( -6.466 0.000 3.445) 7.326 7.992 ( -3.590 0.000 -2.008) 4.113 8.014 ( 7.631 0.000 -6.658) 10.128 8.015 ( -2.853 0.000 -3.111) 4.221 8.087 ( 4.884 0.000 0.273) 4.891 8.166 ( 8.326 0.000 -3.733) 9.124 8.339 ( 4.152 0.000 -3.822) 5.643 8.402 ( -1.027 0.000 -0.611) 1.196 8.447 ( 4.160 0.000 -3.831) 5.655 8.455 ( -0.042 0.000 1.236) 1.237 8.496 ( -0.768 0.000 -0.144) 0.781 8.691 ( -3.717 0.000 -6.394) 7.396 8.735 ( 3.409 0.000 -2.155) 4.033 8.819 ( 1.452 0.000 -3.039) 3.368 8.901 ( 1.165 0.000 9.403) 9.475 8.958 ( 5.876 0.000 1.338) 6.026 8.963 ( -11.296 0.000 10.034) 15.109 9.094 ( 1.582 0.000 1.551) 2.215 9.108 ( -0.682 0.000 -2.440) 2.534 9.166 ( -2.481 0.000 7.384) 7.789 9.482 ( 1.657 0.000 4.632) 4.919 9.536 ( -1.607 0.000 10.196) 10.321 9.544 ( 1.169 0.000 0.590) 1.309 9.595 ( 0.445 0.000 5.004) 5.024 9.707 ( -6.900 0.000 9.983) 12.136 9.877 ( 1.977 0.000 3.892) 4.366 10.022 ( -14.091 0.000 1.873) 14.215 10.085 ( 3.435 0.000 -2.673) 4.352 10.173 ( -3.221 0.000 -4.735) 5.726 10.274 ( 2.093 0.000 -2.045) 2.926 10.399 ( -0.018 0.000 5.592) 5.592 10.524 ( 3.541 0.000 -2.003) 4.069 10.956 ( -16.051 0.000 -14.911) 21.908 11.063 ( -3.051 0.000 0.177) 3.056 11.362 ( 1.612 0.000 -4.858) 5.118 11.517 ( 3.386 0.000 -2.395) 4.147 11.609 ( 5.367 0.000 -10.250) 11.570 11.638 ( 1.733 0.000 11.939) 12.064 11.850 ( 1.147 0.000 -4.008) 4.168 11.958 ( 2.847 0.000 -6.838) 7.407 12.128 ( -4.363 0.000 -8.731) 9.761 13.394 ( 0.478 0.000 -4.326) 4.352 13.408 ( -0.141 0.000 -3.612) 3.615 13.553 ( -1.848 0.000 -6.469) 6.728 13.568 ( -1.709 0.000 -6.504) 6.725 13.752 ( -1.759 0.000 9.448) 9.611 13.858 ( -1.350 0.000 9.164) 9.263 14.023 ( 0.149 0.000 12.200) 12.201 14.025 ( -0.517 0.000 13.444) 13.454 15.161 ( 4.104 0.000 -6.810) 7.951 15.279 ( 4.080 0.000 2.438) 4.753 15.352 ( -2.157 0.000 -5.414) 5.827 15.354 ( 0.685 0.000 -8.565) 8.592 15.461 ( 1.439 0.000 5.497) 5.682 15.551 ( -0.108 0.000 -6.765) 6.766 15.789 ( 0.703 0.000 14.713) 14.730 15.958 ( 0.050 0.000 7.660) 7.660 16.955 ( -2.221 0.000 0.089) 2.222 16.996 ( -1.019 0.000 0.762) 1.273 17.050 ( 0.001 0.000 -1.654) 1.654 17.164 ( -2.153 0.000 -0.527) 2.217 17.340 ( -3.577 0.000 0.445) 3.605 17.413 ( -3.140 0.000 0.342) 3.159 17.503 ( 0.196 0.000 -1.720) 1.731 17.600 ( 0.272 0.000 -4.935) 4.943 17.709 ( 0.918 0.000 5.344) 5.422 17.774 ( 0.577 0.000 4.338) 4.376 17.779 ( 1.595 0.000 3.107) 3.493 17.801 ( 2.006 0.000 2.329) 3.074 19.400 ( 0.259 0.000 -0.597) 0.651 19.411 ( 0.462 0.000 -0.113) 0.475 19.428 ( 0.277 0.000 -1.326) 1.354 19.479 ( 0.385 0.000 -2.583) 2.611 19.778 ( 0.648 0.000 -9.627) 9.649 19.827 ( -1.636 0.000 -9.370) 9.512 19.965 ( 1.407 0.000 -5.563) 5.738 19.983 ( 2.191 0.000 -6.498) 6.858 20.301 ( 0.025 0.000 1.539) 1.539 20.309 ( -0.219 0.000 0.938) 0.964 20.338 ( -0.271 0.000 0.236) 0.359 20.351 ( 0.078 0.000 0.058) 0.097 21.062 ( 0.196 0.000 -4.827) 4.831 21.109 ( -0.337 0.000 -5.708) 5.718 21.112 ( 0.063 0.000 -5.008) 5.008 21.137 ( -0.105 0.000 -5.472) 5.473 22.012 ( -0.087 0.000 0.594) 0.601 22.021 ( -0.068 0.000 0.661) 0.664 22.044 ( -0.010 0.000 -0.307) 0.307 22.054 ( -0.298 0.000 -0.169) 0.342 23.637 ( -0.153 0.000 -0.205) 0.256 23.662 ( -0.030 0.000 -0.618) 0.619 23.740 ( 0.725 0.000 0.034) 0.726 23.766 ( 0.266 0.000 -0.658) 0.710 26.523 ( -2.374 0.000 -1.650) 2.891 26.584 ( -1.519 0.000 -0.329) 1.554 26.612 ( -0.611 0.000 -4.102) 4.147 26.703 ( -1.000 0.000 -2.627) 2.811 26.723 ( 0.629 0.000 1.980) 2.078 26.746 ( 0.727 0.000 1.605) 1.762 26.903 ( 1.390 0.000 -2.333) 2.715 26.961 ( 1.660 0.000 -3.246) 3.646 27.253 ( 0.444 0.000 6.509) 6.525 27.292 ( 0.029 0.000 7.953) 7.953 27.330 ( -0.046 0.000 6.069) 6.069 27.353 ( 0.699 0.000 6.952) 6.987 30.557 ( -0.188 0.000 0.711) 0.736 30.565 ( -0.376 0.000 0.820) 0.902 30.592 ( -0.023 0.000 -0.476) 0.476 30.597 ( -0.090 0.000 -0.282) 0.296 31.807 ( 0.017 0.000 1.891) 1.891 31.812 ( 0.347 0.000 2.236) 2.263 31.957 ( 0.060 0.000 -2.325) 2.325 32.004 ( -1.156 0.000 -4.016) 4.179 32.765 ( 0.035 0.000 5.131) 5.131 32.869 ( 0.390 0.000 0.292) 0.488 32.903 ( -4.931 0.000 7.637) 9.091 32.970 ( 2.952 0.000 0.838) 3.068 33.183 ( -1.972 0.000 3.311) 3.853 33.215 ( 0.015 0.000 0.855) 0.855 33.312 ( 9.222 0.000 -4.549) 10.283 33.462 ( 0.531 0.000 2.319) 2.379 33.479 ( 2.624 0.000 -9.411) 9.769 33.546 ( -1.540 0.000 5.290) 5.510 33.705 ( -3.586 0.000 -3.832) 5.248 33.842 ( -1.675 0.000 -2.687) 3.167 34.171 ( 0.397 0.000 0.867) 0.953 34.587 ( 4.771 0.000 -15.676) 16.386 34.600 ( 0.610 0.000 -1.477) 1.598 34.860 ( 0.987 0.000 -11.614) 11.656 36.261 ( 0.761 0.000 10.831) 10.858 36.314 ( 0.480 0.000 8.592) 8.605 36.383 ( -0.047 0.000 11.198) 11.198 36.449 ( -1.533 0.000 11.830) 11.929 37.749 ( 0.060 0.000 -6.417) 6.417 37.773 ( -0.285 0.000 -7.917) 7.922 37.777 ( 0.198 0.000 -8.093) 8.095 37.952 ( 0.499 0.000 -14.472) 14.481 ======================= Grid point 33 (20/36) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -9.338 0.000 3.427) 9.947 1.517 ( -17.288 0.000 7.319) 18.774 1.567 ( 6.959 0.000 -6.311) 9.394 1.713 ( -2.299 0.000 -12.826) 13.030 1.763 ( 5.186 0.000 -9.012) 10.398 1.982 ( 10.793 0.000 1.082) 10.847 2.026 ( 1.158 0.000 -10.163) 10.229 2.100 ( -1.107 0.000 -1.908) 2.206 2.173 ( -2.267 0.000 -11.021) 11.252 2.358 ( -4.904 0.000 -1.654) 5.175 2.382 ( 3.350 0.000 -3.555) 4.885 2.413 ( -2.740 0.000 -9.988) 10.357 2.555 ( -1.386 0.000 -6.244) 6.396 2.615 ( 0.709 0.000 1.589) 1.740 2.661 ( 0.363 0.000 2.075) 2.106 2.740 ( 1.443 0.000 -6.685) 6.839 2.756 ( 1.173 0.000 -1.781) 2.132 2.814 ( -2.941 0.000 -2.988) 4.192 2.825 ( 4.889 0.000 1.793) 5.208 2.878 ( -4.711 0.000 0.533) 4.741 2.912 ( -2.392 0.000 -4.342) 4.957 3.041 ( -2.310 0.000 -4.408) 4.977 3.049 ( -1.874 0.000 -2.928) 3.476 3.071 ( -6.716 0.000 -0.007) 6.716 3.077 ( 3.028 0.000 0.184) 3.034 3.129 ( 1.800 0.000 -1.639) 2.434 3.181 ( 10.132 0.000 -5.570) 11.562 3.185 ( -2.605 0.000 2.883) 3.885 3.214 ( 0.552 0.000 -4.387) 4.422 3.280 ( -2.869 0.000 -2.838) 4.036 3.316 ( 2.739 0.000 -3.485) 4.433 3.356 ( 2.190 0.000 -2.387) 3.240 3.397 ( 8.225 0.000 1.425) 8.348 3.433 ( 0.267 0.000 -2.876) 2.888 3.463 ( 4.145 0.000 -3.582) 5.478 3.503 ( 1.588 0.000 -1.149) 1.960 3.603 ( -0.703 0.000 -4.291) 4.348 3.644 ( -1.856 0.000 -1.058) 2.136 3.727 ( -4.584 0.000 -2.820) 5.382 3.779 ( 7.820 0.000 0.792) 7.860 3.787 ( 0.167 0.000 -1.295) 1.306 3.895 ( 2.873 0.000 3.124) 4.244 3.934 ( 3.065 0.000 -4.209) 5.207 3.938 ( 0.218 0.000 -5.075) 5.080 3.978 ( -4.574 0.000 3.031) 5.487 3.983 ( -0.240 0.000 -1.913) 1.928 4.102 ( -3.641 0.000 3.290) 4.907 4.113 ( 1.351 0.000 -2.007) 2.419 4.150 ( 4.304 0.000 2.754) 5.109 4.225 ( 2.060 0.000 1.722) 2.685 4.235 ( -4.525 0.000 -0.969) 4.628 4.276 ( 7.172 0.000 0.863) 7.224 4.345 ( -2.332 0.000 2.814) 3.655 4.386 ( 0.038 0.000 7.710) 7.710 4.412 ( 5.151 0.000 -4.178) 6.632 4.424 ( 0.902 0.000 0.663) 1.120 4.529 ( 0.917 0.000 4.822) 4.908 4.550 ( -1.348 0.000 6.283) 6.426 4.567 ( -0.149 0.000 -2.403) 2.408 4.584 ( -1.301 0.000 4.071) 4.274 4.667 ( 0.348 0.000 8.242) 8.249 4.710 ( -2.533 0.000 5.291) 5.866 4.790 ( 0.217 0.000 9.570) 9.572 4.804 ( 0.370 0.000 9.642) 9.649 4.950 ( 0.599 0.000 4.880) 4.916 4.976 ( 2.603 0.000 7.619) 8.051 5.030 ( 3.557 0.000 16.611) 16.987 5.041 ( -1.479 0.000 -3.024) 3.366 5.074 ( 3.928 0.000 0.998) 4.052 5.205 ( 0.601 0.000 -1.183) 1.327 5.231 ( 4.657 0.000 0.181) 4.660 5.313 ( 2.538 0.000 -0.648) 2.619 5.335 ( 0.446 0.000 -6.591) 6.606 5.353 ( -3.678 0.000 -8.374) 9.146 5.510 ( -6.253 0.000 -3.236) 7.040 5.718 ( -3.152 0.000 2.662) 4.126 5.817 ( -8.751 0.000 -0.301) 8.756 6.107 ( -4.302 0.000 9.665) 10.579 6.283 ( 4.381 0.000 1.997) 4.815 6.396 ( 2.120 0.000 -8.827) 9.078 6.436 ( -3.543 0.000 -11.654) 12.180 6.501 ( -0.430 0.000 -1.718) 1.772 6.558 ( 2.339 0.000 -10.683) 10.936 6.606 ( 4.207 0.000 -2.420) 4.854 6.677 ( -1.725 0.000 -3.601) 3.993 6.728 ( -0.549 0.000 -1.430) 1.532 6.843 ( 3.123 0.000 -0.691) 3.199 6.927 ( 1.485 0.000 -1.081) 1.837 7.025 ( 0.474 0.000 -2.729) 2.769 7.096 ( -11.741 0.000 -6.761) 13.549 7.231 ( -1.922 0.000 1.742) 2.594 7.258 ( 2.829 0.000 3.019) 4.138 7.357 ( -3.140 0.000 7.228) 7.880 7.367 ( -3.177 0.000 1.862) 3.682 7.387 ( 3.388 0.000 6.702) 7.510 7.468 ( -0.875 0.000 7.468) 7.519 7.590 ( 2.271 0.000 0.115) 2.274 7.594 ( -1.357 0.000 0.221) 1.375 7.673 ( 6.392 0.000 3.847) 7.460 7.696 ( -4.852 0.000 4.280) 6.470 7.718 ( 2.404 0.000 1.095) 2.641 7.768 ( -7.120 0.000 0.351) 7.129 7.814 ( -1.560 0.000 5.251) 5.477 7.849 ( -7.385 0.000 -4.222) 8.507 7.899 ( -4.070 0.000 -3.006) 5.060 8.010 ( 0.846 0.000 -1.104) 1.391 8.072 ( -4.867 0.000 -3.956) 6.272 8.137 ( -1.676 0.000 0.700) 1.816 8.277 ( -0.516 0.000 -6.994) 7.013 8.340 ( -3.686 0.000 -1.546) 3.997 8.341 ( -4.732 0.000 -7.458) 8.833 8.423 ( 2.579 0.000 -1.103) 2.805 8.448 ( 1.366 0.000 -1.299) 1.885 8.504 ( -0.849 0.000 7.776) 7.822 8.688 ( 2.017 0.000 -5.951) 6.284 8.776 ( -5.005 0.000 12.919) 13.854 8.813 ( 1.852 0.000 2.471) 3.088 8.877 ( 4.208 0.000 -4.829) 6.405 8.986 ( 2.554 0.000 -4.201) 4.916 9.057 ( 0.052 0.000 5.869) 5.869 9.117 ( 1.406 0.000 2.980) 3.295 9.120 ( 3.655 0.000 15.992) 16.404 9.207 ( 6.620 0.000 -0.364) 6.630 9.459 ( -3.547 0.000 6.089) 7.047 9.460 ( -6.826 0.000 0.675) 6.859 9.610 ( 8.777 0.000 -0.932) 8.826 9.633 ( 6.765 0.000 2.314) 7.150 9.740 ( 8.766 0.000 11.838) 14.730 9.947 ( 3.349 0.000 6.048) 6.913 9.965 ( 4.829 0.000 3.497) 5.963 10.029 ( -5.960 0.000 -4.185) 7.283 10.174 ( 1.382 0.000 -2.073) 2.492 10.192 ( -5.809 0.000 4.591) 7.404 10.519 ( 7.936 0.000 0.578) 7.957 10.597 ( -0.654 0.000 -5.494) 5.533 10.689 ( -5.691 0.000 -14.590) 15.660 11.002 ( -2.328 0.000 4.815) 5.348 11.223 ( -10.407 0.000 -10.834) 15.023 11.518 ( -3.536 0.000 -3.863) 5.236 11.653 ( -0.367 0.000 8.013) 8.021 11.721 ( 3.653 0.000 -6.527) 7.480 11.921 ( 3.495 0.000 0.530) 3.535 12.028 ( 3.532 0.000 -4.299) 5.564 12.135 ( 5.899 0.000 -12.580) 13.894 13.399 ( -0.524 0.000 -4.016) 4.050 13.408 ( 0.594 0.000 -4.068) 4.111 13.518 ( -1.519 0.000 -5.444) 5.652 13.555 ( 0.434 0.000 -5.692) 5.709 13.762 ( 2.898 0.000 9.699) 10.123 13.826 ( -1.250 0.000 8.553) 8.644 14.014 ( -1.005 0.000 11.674) 11.718 14.031 ( 0.849 0.000 12.278) 12.308 15.243 ( 3.378 0.000 -7.716) 8.423 15.290 ( -3.457 0.000 0.931) 3.580 15.290 ( -3.582 0.000 -3.657) 5.119 15.382 ( 1.874 0.000 -8.791) 8.989 15.427 ( -4.015 0.000 3.560) 5.366 15.547 ( -0.155 0.000 -5.316) 5.318 15.774 ( -1.926 0.000 15.354) 15.474 15.972 ( 0.784 0.000 8.467) 8.503 16.952 ( 2.007 0.000 -0.671) 2.117 17.025 ( 3.345 0.000 1.479) 3.658 17.112 ( 5.447 0.000 -1.056) 5.549 17.154 ( 1.177 0.000 -0.834) 1.442 17.307 ( 0.759 0.000 -0.730) 1.053 17.381 ( 0.282 0.000 0.033) 0.284 17.513 ( 0.784 0.000 -1.188) 1.423 17.599 ( -0.244 0.000 -5.238) 5.244 17.701 ( -1.713 0.000 6.270) 6.500 17.755 ( -2.199 0.000 4.414) 4.931 17.781 ( -1.483 0.000 2.625) 3.015 17.817 ( -0.545 0.000 2.972) 3.022 19.403 ( 0.047 0.000 -0.504) 0.506 19.417 ( -0.064 0.000 0.043) 0.077 19.420 ( -0.787 0.000 -1.203) 1.438 19.491 ( 0.616 0.000 -2.683) 2.752 19.772 ( -1.167 0.000 -9.714) 9.784 19.789 ( -1.677 0.000 -9.525) 9.672 19.968 ( -1.123 0.000 -5.524) 5.637 20.002 ( -0.424 0.000 -6.721) 6.735 20.297 ( -0.230 0.000 1.424) 1.442 20.310 ( 0.228 0.000 1.087) 1.110 20.336 ( 0.040 0.000 0.311) 0.313 20.355 ( 0.244 0.000 -0.039) 0.247 21.064 ( 0.046 0.000 -4.876) 4.876 21.108 ( -0.335 0.000 -4.947) 4.959 21.111 ( 0.518 0.000 -5.604) 5.628 21.138 ( 0.199 0.000 -5.575) 5.579 22.011 ( 0.048 0.000 0.601) 0.603 22.020 ( 0.023 0.000 0.649) 0.649 22.044 ( 0.023 0.000 -0.310) 0.311 22.054 ( 0.334 0.000 -0.155) 0.368 23.634 ( -0.090 0.000 -0.117) 0.147 23.658 ( -0.289 0.000 -0.621) 0.685 23.745 ( -0.272 0.000 -0.010) 0.272 23.767 ( -0.219 0.000 -0.701) 0.734 26.509 ( 1.223 0.000 -1.433) 1.884 26.594 ( 2.331 0.000 -0.275) 2.347 26.611 ( 0.563 0.000 -3.740) 3.782 26.682 ( -0.926 0.000 -2.161) 2.351 26.732 ( 0.178 0.000 1.694) 1.703 26.763 ( 0.727 0.000 0.915) 1.169 26.916 ( -0.201 0.000 -2.892) 2.899 26.972 ( -0.702 0.000 -3.742) 3.807 27.246 ( -1.166 0.000 7.035) 7.131 27.282 ( -0.849 0.000 8.172) 8.216 27.321 ( -0.764 0.000 6.341) 6.387 27.363 ( 0.176 0.000 6.804) 6.807 30.554 ( -0.041 0.000 0.688) 0.689 30.564 ( 0.234 0.000 0.877) 0.908 30.593 ( 0.114 0.000 -0.414) 0.430 30.597 ( 0.080 0.000 -0.304) 0.314 31.805 ( -0.189 0.000 2.123) 2.131 31.816 ( 0.035 0.000 1.914) 1.915 31.949 ( -0.481 0.000 -2.392) 2.440 32.013 ( 1.642 0.000 -3.963) 4.290 32.764 ( -0.337 0.000 5.241) 5.252 32.831 ( -1.729 0.000 5.980) 6.225 32.873 ( -0.113 0.000 0.433) 0.447 33.026 ( 1.460 0.000 3.328) 3.634 33.122 ( -2.744 0.000 1.493) 3.123 33.181 ( -2.471 0.000 -0.799) 2.597 33.374 ( -5.377 0.000 -3.577) 6.458 33.499 ( 2.126 0.000 2.700) 3.437 33.538 ( 4.294 0.000 -7.082) 8.283 33.541 ( 1.151 0.000 5.543) 5.661 33.678 ( 1.387 0.000 -6.120) 6.275 33.836 ( 1.317 0.000 -1.863) 2.281 34.174 ( -0.140 0.000 0.698) 0.712 34.598 ( -0.763 0.000 -1.143) 1.374 34.629 ( -1.435 0.000 -18.343) 18.399 34.808 ( -5.121 0.000 -9.317) 10.632 36.256 ( -1.068 0.000 10.700) 10.753 36.314 ( -0.527 0.000 8.635) 8.651 36.381 ( -0.150 0.000 11.023) 11.024 36.473 ( 3.455 0.000 11.964) 12.453 37.747 ( -0.208 0.000 -6.303) 6.307 37.773 ( -0.567 0.000 -8.235) 8.254 37.778 ( 0.652 0.000 -7.916) 7.943 37.940 ( -1.555 0.000 -14.385) 14.469 ======================= Grid point 34 (21/36) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -16.700 0.000 18.842) 25.178 1.180 ( -4.465 0.000 21.955) 22.404 1.607 ( -7.363 0.000 3.503) 8.154 1.681 ( -0.964 0.000 -8.353) 8.409 1.855 ( 3.856 0.000 -11.571) 12.197 1.986 ( -5.000 0.000 -1.556) 5.237 2.111 ( -1.089 0.000 -6.288) 6.382 2.119 ( 1.192 0.000 -13.273) 13.326 2.218 ( 6.870 0.000 0.504) 6.889 2.222 ( -5.351 0.000 -1.002) 5.444 2.346 ( -2.453 0.000 -15.860) 16.048 2.440 ( -0.245 0.000 0.770) 0.809 2.526 ( -2.935 0.000 -10.547) 10.948 2.548 ( -3.498 0.000 -1.817) 3.941 2.676 ( -3.106 0.000 4.261) 5.273 2.685 ( 6.061 0.000 0.804) 6.115 2.747 ( -1.681 0.000 -3.996) 4.335 2.747 ( -0.963 0.000 -5.576) 5.658 2.818 ( 0.587 0.000 1.460) 1.573 2.849 ( -2.693 0.000 -4.649) 5.373 2.942 ( 0.145 0.000 -2.727) 2.731 3.001 ( 0.181 0.000 -0.664) 0.688 3.033 ( -0.392 0.000 -2.075) 2.112 3.079 ( 7.965 0.000 -5.819) 9.864 3.127 ( -3.968 0.000 2.597) 4.743 3.180 ( 3.908 0.000 -3.037) 4.949 3.224 ( 0.493 0.000 -3.948) 3.978 3.246 ( 6.773 0.000 -3.043) 7.425 3.268 ( 1.091 0.000 -3.234) 3.413 3.369 ( 1.613 0.000 -3.076) 3.473 3.378 ( 5.867 0.000 -1.894) 6.165 3.440 ( 3.849 0.000 -0.303) 3.861 3.463 ( 2.985 0.000 -2.001) 3.593 3.525 ( 4.270 0.000 4.498) 6.202 3.539 ( 2.014 0.000 -1.209) 2.349 3.586 ( 5.496 0.000 2.427) 6.008 3.590 ( -3.754 0.000 -4.035) 5.511 3.627 ( 0.563 0.000 -3.757) 3.799 3.651 ( 3.633 0.000 -1.153) 3.812 3.786 ( -0.672 0.000 -2.512) 2.600 3.818 ( -1.225 0.000 -1.714) 2.107 3.873 ( -4.612 0.000 0.668) 4.660 3.875 ( -2.833 0.000 0.562) 2.889 3.956 ( -2.905 0.000 -1.066) 3.094 3.961 ( -1.756 0.000 -4.212) 4.564 3.980 ( -0.035 0.000 3.062) 3.062 4.035 ( -5.678 0.000 -2.564) 6.230 4.104 ( 2.281 0.000 5.268) 5.740 4.125 ( -5.872 0.000 2.281) 6.300 4.255 ( 3.496 0.000 -1.488) 3.799 4.312 ( 2.405 0.000 4.183) 4.825 4.339 ( 0.679 0.000 0.847) 1.086 4.384 ( -0.153 0.000 6.081) 6.083 4.426 ( -0.983 0.000 2.850) 3.015 4.427 ( 3.995 0.000 -0.113) 3.997 4.439 ( -6.092 0.000 4.869) 7.799 4.528 ( 5.899 0.000 2.397) 6.367 4.552 ( 5.241 0.000 4.706) 7.044 4.591 ( 2.489 0.000 -0.485) 2.536 4.613 ( 2.124 0.000 1.100) 2.392 4.685 ( 1.148 0.000 7.564) 7.651 4.719 ( 1.972 0.000 2.755) 3.388 4.804 ( 2.948 0.000 1.602) 3.355 4.820 ( 0.759 0.000 10.868) 10.894 4.930 ( -3.603 0.000 1.170) 3.788 4.990 ( -1.536 0.000 1.901) 2.444 5.067 ( 2.327 0.000 3.287) 4.027 5.128 ( -0.627 0.000 -4.685) 4.726 5.135 ( 7.748 0.000 19.182) 20.688 5.224 ( -1.059 0.000 -2.834) 3.025 5.274 ( -2.147 0.000 -2.399) 3.219 5.303 ( 2.843 0.000 -5.400) 6.103 5.354 ( 1.363 0.000 -6.275) 6.421 5.393 ( -1.962 0.000 -4.254) 4.685 5.410 ( 4.276 0.000 4.548) 6.242 5.601 ( -6.870 0.000 1.256) 6.984 5.668 ( -4.572 0.000 1.657) 4.863 6.000 ( -3.836 0.000 10.805) 11.466 6.333 ( -4.529 0.000 -9.901) 10.888 6.341 ( -1.332 0.000 3.057) 3.335 6.404 ( -2.122 0.000 -5.385) 5.788 6.483 ( -1.343 0.000 -7.461) 7.581 6.506 ( -5.152 0.000 -11.361) 12.474 6.631 ( -0.750 0.000 -6.682) 6.724 6.648 ( -3.888 0.000 -6.008) 7.156 6.746 ( 2.953 0.000 -0.477) 2.991 6.823 ( -3.776 0.000 -6.692) 7.684 6.955 ( 0.324 0.000 0.888) 0.946 7.005 ( 6.066 0.000 -1.125) 6.169 7.057 ( 2.544 0.000 -6.430) 6.915 7.192 ( -2.299 0.000 4.716) 5.246 7.300 ( -1.991 0.000 4.969) 5.353 7.306 ( -2.374 0.000 3.667) 4.368 7.373 ( 6.628 0.000 8.415) 10.712 7.444 ( -0.094 0.000 3.060) 3.061 7.455 ( -2.806 0.000 5.763) 6.409 7.537 ( -4.739 0.000 -0.823) 4.810 7.558 ( -1.381 0.000 -1.142) 1.792 7.615 ( -1.131 0.000 -2.158) 2.436 7.687 ( -2.903 0.000 -1.023) 3.078 7.712 ( -4.051 0.000 0.771) 4.124 7.741 ( -3.317 0.000 -4.234) 5.379 7.767 ( 2.179 0.000 3.872) 4.443 7.795 ( -0.198 0.000 -4.090) 4.095 7.802 ( 1.369 0.000 4.873) 5.061 7.901 ( -5.335 0.000 -3.535) 6.400 8.035 ( 1.046 0.000 -2.515) 2.724 8.086 ( -4.937 0.000 4.234) 6.504 8.226 ( -4.158 0.000 -4.728) 6.297 8.233 ( -2.178 0.000 1.851) 2.858 8.323 ( 2.008 0.000 1.047) 2.265 8.422 ( -3.406 0.000 -4.215) 5.419 8.475 ( -2.736 0.000 0.486) 2.779 8.479 ( 0.230 0.000 7.098) 7.102 8.686 ( 0.301 0.000 5.128) 5.137 8.799 ( 7.128 0.000 -4.035) 8.191 8.865 ( 2.912 0.000 -0.171) 2.917 8.937 ( -6.575 0.000 3.105) 7.272 8.951 ( 1.570 0.000 -1.463) 2.146 9.020 ( 1.362 0.000 1.150) 1.783 9.174 ( 0.722 0.000 0.859) 1.122 9.237 ( 4.395 0.000 12.518) 13.267 9.298 ( -0.525 0.000 8.553) 8.569 9.437 ( 1.954 0.000 6.372) 6.665 9.462 ( 8.662 0.000 -5.575) 10.301 9.740 ( 1.600 0.000 9.659) 9.791 9.774 ( 0.826 0.000 -2.152) 2.305 9.906 ( -5.049 0.000 -1.438) 5.250 9.941 ( 8.108 0.000 3.606) 8.874 10.028 ( -0.858 0.000 -3.068) 3.185 10.049 ( 7.995 0.000 1.173) 8.081 10.155 ( 2.745 0.000 1.725) 3.242 10.215 ( 4.601 0.000 -2.050) 5.037 10.464 ( -6.337 0.000 -14.241) 15.587 10.666 ( 6.058 0.000 6.001) 8.526 10.710 ( 1.837 0.000 4.306) 4.681 10.959 ( -2.363 0.000 8.317) 8.646 11.094 ( -0.518 0.000 -10.883) 10.895 11.394 ( -6.820 0.000 -5.522) 8.775 11.650 ( 0.840 0.000 2.167) 2.324 11.684 ( -4.878 0.000 -5.511) 7.360 12.043 ( 5.438 0.000 -3.400) 6.413 12.067 ( -0.957 0.000 1.077) 1.441 12.268 ( 4.788 0.000 -15.903) 16.608 13.394 ( 0.079 0.000 -3.849) 3.850 13.412 ( -0.032 0.000 -3.830) 3.830 13.508 ( 1.077 0.000 -4.602) 4.726 13.577 ( 1.601 0.000 -6.026) 6.235 13.823 ( 0.971 0.000 10.106) 10.153 13.862 ( 5.875 0.000 10.331) 11.884 13.987 ( -1.214 0.000 11.790) 11.852 14.045 ( 0.187 0.000 11.206) 11.208 15.203 ( -4.416 0.000 -2.829) 5.245 15.209 ( -3.143 0.000 -0.756) 3.233 15.304 ( 2.398 0.000 -7.023) 7.421 15.339 ( -3.301 0.000 2.359) 4.057 15.362 ( -3.471 0.000 -7.192) 7.986 15.557 ( 0.507 0.000 -3.215) 3.255 15.725 ( -2.201 0.000 10.416) 10.647 15.976 ( -0.353 0.000 6.483) 6.493 17.022 ( 3.930 0.000 1.281) 4.133 17.102 ( 3.041 0.000 3.859) 4.913 17.162 ( -0.023 0.000 1.882) 1.882 17.244 ( 4.494 0.000 1.694) 4.803 17.386 ( 6.419 0.000 -1.319) 6.553 17.437 ( 5.320 0.000 -0.331) 5.331 17.535 ( 1.373 0.000 -0.599) 1.498 17.602 ( 0.724 0.000 -3.936) 4.002 17.643 ( -3.477 0.000 4.924) 6.028 17.696 ( -2.964 0.000 1.070) 3.151 17.724 ( -3.650 0.000 0.610) 3.701 17.775 ( -3.516 0.000 0.934) 3.638 19.402 ( -0.104 0.000 -0.431) 0.444 19.404 ( -0.627 0.000 -0.734) 0.966 19.407 ( -0.727 0.000 -0.323) 0.796 19.492 ( -0.755 0.000 -3.748) 3.823 19.741 ( -1.331 0.000 -8.268) 8.374 19.771 ( 0.206 0.000 -8.961) 8.964 19.927 ( -2.367 0.000 -5.407) 5.902 19.973 ( -2.024 0.000 -6.821) 7.115 20.295 ( -0.003 0.000 1.595) 1.595 20.315 ( 0.165 0.000 1.007) 1.020 20.339 ( 0.255 0.000 0.456) 0.522 20.361 ( 0.279 0.000 -0.202) 0.345 21.063 ( -0.135 0.000 -4.035) 4.037 21.099 ( -0.539 0.000 -5.180) 5.208 21.126 ( 0.770 0.000 -5.690) 5.741 21.142 ( 0.141 0.000 -5.849) 5.851 22.014 ( 0.124 0.000 0.596) 0.609 22.022 ( 0.077 0.000 0.723) 0.727 22.045 ( 0.054 0.000 -0.275) 0.281 22.066 ( 0.765 0.000 -0.342) 0.838 23.634 ( 0.069 0.000 -0.461) 0.466 23.653 ( -0.153 0.000 -0.694) 0.710 23.731 ( -0.919 0.000 0.223) 0.945 23.759 ( -0.407 0.000 -0.697) 0.807 26.575 ( 4.791 0.000 -0.649) 4.835 26.633 ( 1.421 0.000 -1.860) 2.340 26.666 ( -0.529 0.000 -0.537) 0.753 26.666 ( 4.016 0.000 -0.520) 4.050 26.732 ( -0.175 0.000 0.211) 0.274 26.771 ( -0.086 0.000 -0.226) 0.242 26.889 ( -2.427 0.000 -3.717) 4.439 26.928 ( -3.537 0.000 -4.495) 5.720 27.219 ( -1.024 0.000 8.331) 8.394 27.266 ( -0.490 0.000 8.468) 8.483 27.305 ( -0.563 0.000 6.612) 6.636 27.360 ( -0.441 0.000 6.676) 6.690 30.556 ( 0.169 0.000 0.745) 0.764 30.575 ( 0.784 0.000 0.808) 1.126 30.595 ( 0.085 0.000 -0.343) 0.353 30.599 ( 0.145 0.000 -0.194) 0.242 31.801 ( -0.176 0.000 2.384) 2.390 31.813 ( -0.309 0.000 1.862) 1.888 31.945 ( 0.068 0.000 -2.192) 2.193 32.054 ( 1.933 0.000 -5.476) 5.807 32.750 ( -0.777 0.000 5.079) 5.138 32.842 ( 3.091 0.000 3.366) 4.570 32.863 ( -0.632 0.000 0.008) 0.633 32.982 ( -4.203 0.000 1.689) 4.529 33.085 ( -1.345 0.000 1.250) 1.836 33.191 ( 3.216 0.000 1.037) 3.380 33.204 ( -8.738 0.000 0.317) 8.744 33.532 ( 0.856 0.000 2.850) 2.976 33.572 ( 1.291 0.000 4.596) 4.774 33.589 ( 0.231 0.000 -6.965) 6.969 33.733 ( 3.111 0.000 -5.587) 6.395 33.883 ( 2.294 0.000 -4.463) 5.018 34.165 ( -0.613 0.000 0.567) 0.835 34.501 ( -10.348 0.000 -15.048) 18.263 34.576 ( -1.072 0.000 -0.371) 1.135 34.692 ( -4.855 0.000 -4.927) 6.917 36.232 ( -1.036 0.000 10.434) 10.486 36.298 ( -0.804 0.000 8.259) 8.298 36.378 ( -0.104 0.000 10.939) 10.939 36.563 ( 4.261 0.000 7.768) 8.860 37.743 ( -0.145 0.000 -5.753) 5.755 37.760 ( -0.474 0.000 -7.288) 7.304 37.794 ( 0.685 0.000 -8.211) 8.240 37.890 ( -2.808 0.000 -12.041) 12.364 ======================= Grid point 35 (22/36) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -2.303 11.714 18.294) 21.845 1.259 ( -5.013 9.246 14.303) 17.754 1.397 ( -1.368 -13.632 6.498) 15.163 1.633 ( -0.615 -13.771 3.725) 14.279 1.770 ( 0.655 18.833 9.302) 21.015 2.005 ( -0.185 -0.974 -7.074) 7.143 2.106 ( 0.432 -0.605 -6.116) 6.161 2.128 ( -2.114 -1.059 -8.730) 9.044 2.241 ( 1.263 5.111 -13.662) 14.641 2.356 ( 0.398 -2.505 -12.490) 12.745 2.415 ( 2.400 3.871 -10.305) 11.267 2.458 ( 1.592 1.760 -6.072) 6.520 2.507 ( 0.416 4.058 -0.805) 4.158 2.532 ( -1.301 3.863 -4.736) 6.248 2.632 ( -3.587 -6.741 -2.468) 8.025 2.655 ( -1.916 -5.625 -3.263) 6.779 2.714 ( -0.417 6.065 2.837) 6.708 2.791 ( 1.862 0.717 -3.323) 3.876 2.816 ( 1.704 -3.026 -0.739) 3.550 2.910 ( 2.170 3.554 -1.361) 4.381 2.928 ( -0.644 -1.756 -1.953) 2.704 2.959 ( 0.858 -3.475 -4.664) 5.880 3.021 ( -3.998 -0.734 3.669) 5.476 3.059 ( -1.529 1.325 -0.772) 2.165 3.081 ( -2.984 -4.273 0.647) 5.252 3.168 ( 0.244 -0.141 -1.093) 1.129 3.218 ( 0.889 -2.761 -3.624) 4.642 3.265 ( -2.003 -1.452 1.492) 2.889 3.282 ( 0.983 -5.068 1.644) 5.418 3.334 ( 0.949 -1.787 -3.021) 3.636 3.377 ( -1.383 -0.625 -1.729) 2.300 3.422 ( 0.924 -4.210 -3.902) 5.814 3.496 ( 1.206 1.229 -1.026) 2.004 3.547 ( 2.761 -2.318 0.684) 3.669 3.569 ( 0.216 1.477 -3.458) 3.767 3.600 ( 2.900 -0.931 -1.762) 3.518 3.656 ( 1.020 1.351 -1.592) 2.324 3.689 ( 0.906 -0.693 -0.252) 1.168 3.721 ( -0.656 3.549 2.372) 4.319 3.776 ( -0.933 1.348 -1.751) 2.398 3.802 ( -1.658 0.809 -0.908) 2.056 3.811 ( -0.773 -1.368 -0.979) 1.852 3.847 ( -1.810 0.583 1.150) 2.222 3.880 ( 0.517 0.398 -0.715) 0.968 3.908 ( 1.427 1.703 0.989) 2.432 3.966 ( -1.711 -2.843 3.023) 4.488 4.033 ( -0.041 2.322 1.561) 2.798 4.059 ( -1.763 1.434 2.788) 3.597 4.132 ( 0.063 1.307 6.753) 6.879 4.193 ( -1.872 -4.286 3.234) 5.686 4.263 ( 1.187 -0.621 0.383) 1.393 4.334 ( 1.147 -4.729 2.365) 5.410 4.346 ( -3.783 2.811 4.189) 6.305 4.415 ( -2.913 -2.513 1.147) 4.015 4.475 ( 0.566 5.301 0.428) 5.348 4.552 ( 0.500 0.040 2.349) 2.402 4.563 ( -0.138 1.975 4.056) 4.514 4.610 ( 0.795 -1.271 4.274) 4.530 4.646 ( 0.973 3.401 2.953) 4.608 4.700 ( -1.357 -1.217 3.655) 4.084 4.733 ( -0.633 7.576 2.522) 8.010 4.823 ( 1.739 1.445 3.972) 4.571 4.838 ( -1.021 1.868 -0.339) 2.156 4.871 ( 2.741 0.450 2.327) 3.624 4.904 ( 0.548 -0.174 -2.198) 2.271 4.996 ( 0.129 -2.666 2.280) 3.510 5.045 ( -3.453 2.053 3.010) 5.020 5.067 ( -1.347 -2.006 -2.445) 3.438 5.099 ( -2.054 -3.155 -3.338) 5.032 5.135 ( -2.174 -3.060 0.680) 3.815 5.259 ( -2.430 1.322 2.107) 3.477 5.285 ( -2.535 -2.368 -2.035) 4.022 5.398 ( 2.374 -0.240 -1.103) 2.629 5.419 ( 1.804 -1.362 -1.210) 2.564 5.509 ( 4.938 2.687 3.131) 6.435 5.556 ( 5.523 -1.366 1.195) 5.813 5.746 ( 3.861 5.700 4.225) 8.078 5.890 ( 1.963 -6.437 6.747) 9.529 6.203 ( -1.208 0.000 -1.774) 2.147 6.244 ( -0.879 -3.033 -2.350) 3.936 6.320 ( -4.189 0.742 -8.653) 9.642 6.361 ( -5.368 -2.008 -7.152) 9.164 6.541 ( -3.999 4.503 -8.323) 10.273 6.589 ( -1.671 0.239 -8.953) 9.110 6.739 ( 0.750 4.988 -8.380) 9.781 6.794 ( 1.863 -0.731 -4.817) 5.217 6.835 ( 1.488 -0.614 -4.786) 5.049 6.847 ( 0.905 -3.573 -2.741) 4.593 7.076 ( 3.055 1.112 4.614) 5.645 7.112 ( 2.463 -0.997 3.656) 4.520 7.190 ( -0.173 2.456 5.879) 6.374 7.276 ( 0.894 0.890 -0.961) 1.586 7.365 ( -2.181 -1.546 4.036) 4.841 7.392 ( -0.258 -1.669 2.606) 3.105 7.448 ( 1.792 3.222 3.061) 4.791 7.507 ( -0.752 0.149 0.662) 1.013 7.553 ( -1.054 0.144 -0.041) 1.064 7.580 ( -0.797 -1.192 -0.777) 1.631 7.620 ( -1.823 1.599 1.129) 2.675 7.632 ( 2.672 4.736 -0.322) 5.447 7.658 ( 1.313 -0.025 1.414) 1.930 7.749 ( 1.772 1.976 3.783) 4.621 7.769 ( 4.932 -0.728 0.877) 5.062 7.843 ( 1.495 2.582 -0.749) 3.076 7.872 ( -0.260 1.565 0.867) 1.808 7.938 ( 3.922 0.781 -1.375) 4.229 7.998 ( -3.172 -2.154 2.267) 4.454 8.072 ( 3.748 3.486 -2.722) 5.797 8.119 ( -2.712 -6.614 -2.730) 7.652 8.156 ( 1.735 -0.874 -1.939) 2.745 8.251 ( -3.123 1.911 -0.687) 3.725 8.349 ( 0.633 -2.470 3.822) 4.594 8.479 ( 0.045 5.208 -3.345) 6.190 8.550 ( -3.460 -1.240 2.673) 4.545 8.650 ( -0.223 -2.231 1.062) 2.481 8.726 ( 2.725 -9.180 -1.570) 9.704 8.928 ( -0.227 0.574 -0.183) 0.644 8.984 ( -5.740 1.657 -1.567) 6.177 9.010 ( 0.112 3.947 7.771) 8.717 9.087 ( -3.680 0.825 8.049) 8.889 9.101 ( 2.502 2.929 -0.738) 3.922 9.259 ( 1.225 -4.234 10.339) 11.240 9.344 ( 0.797 4.383 -0.921) 4.549 9.422 ( -0.589 -1.901 1.768) 2.662 9.502 ( -0.515 -1.825 -1.277) 2.286 9.607 ( -4.353 -5.939 4.354) 8.554 9.704 ( -3.994 1.852 -0.188) 4.406 9.780 ( -5.421 -2.845 5.112) 7.977 10.108 ( 2.505 3.925 -5.292) 7.049 10.152 ( -2.312 -1.520 -3.993) 4.858 10.169 ( 0.597 5.626 -1.959) 5.987 10.238 ( 6.960 5.474 2.005) 9.079 10.329 ( 5.343 -1.880 -6.633) 8.722 10.394 ( -0.441 -2.978 -1.503) 3.364 10.755 ( -2.618 2.201 2.271) 4.105 10.827 ( 6.373 -3.689 5.258) 9.049 10.902 ( 6.871 4.664 1.543) 8.447 11.071 ( 6.665 -7.707 -7.450) 12.622 11.452 ( 2.967 7.717 -1.639) 8.428 11.576 ( -0.680 -1.326 -2.145) 2.612 11.687 ( -4.918 1.595 -2.212) 5.624 11.799 ( -8.430 -7.611 1.689) 11.482 12.192 ( -3.535 5.887 -7.656) 10.285 12.286 ( -1.806 -2.445 -11.706) 12.094 13.401 ( -0.007 0.205 -3.436) 3.442 13.407 ( -0.156 -0.241 -3.779) 3.790 13.566 ( 2.723 0.669 -5.761) 6.407 13.595 ( 1.921 -1.423 -6.732) 7.144 13.862 ( 0.592 1.133 10.688) 10.765 13.897 ( -1.015 -1.648 9.466) 9.662 14.004 ( 0.268 1.610 12.298) 12.406 14.037 ( 0.490 -1.152 12.682) 12.744 15.146 ( -3.103 1.980 -4.360) 5.706 15.185 ( -1.602 -0.745 -1.023) 2.042 15.254 ( 0.497 -0.599 -3.899) 3.976 15.284 ( 1.489 -2.212 1.603) 3.111 15.421 ( 1.565 4.216 -3.717) 5.834 15.518 ( 0.601 -3.520 -1.741) 3.973 15.754 ( -0.306 5.347 4.607) 7.065 15.896 ( -0.328 -5.744 4.260) 7.158 17.084 ( -0.037 0.694 3.943) 4.004 17.105 ( -1.094 -0.937 4.504) 4.728 17.180 ( -1.731 2.775 2.112) 3.893 17.246 ( -1.158 -2.607 2.923) 4.085 17.492 ( 0.796 -0.551 2.886) 3.044 17.502 ( 1.439 -1.455 2.666) 3.361 17.574 ( -1.109 1.030 1.312) 2.003 17.596 ( -0.444 -0.809 2.039) 2.239 17.632 ( 3.510 0.857 -2.793) 4.567 17.649 ( 2.568 -0.674 -2.732) 3.810 17.706 ( -1.069 1.563 -2.526) 3.157 17.714 ( -2.151 0.884 -2.852) 3.680 19.392 ( 0.065 0.138 -0.582) 0.602 19.397 ( -0.032 -0.225 -0.565) 0.609 19.430 ( -0.178 1.691 -1.913) 2.560 19.460 ( -0.482 -0.872 -3.067) 3.225 19.745 ( 0.804 1.233 -7.517) 7.660 19.780 ( 1.826 -1.584 -8.081) 8.435 19.908 ( -0.365 0.889 -5.991) 6.067 19.926 ( -1.152 -0.558 -6.730) 6.851 20.301 ( 0.068 0.414 1.512) 1.569 20.312 ( 0.030 -0.411 1.176) 1.246 20.349 ( 0.063 0.342 0.282) 0.447 20.357 ( -0.137 -0.368 -0.082) 0.401 21.066 ( -0.082 0.547 -3.777) 3.817 21.082 ( 0.128 -0.726 -4.451) 4.512 21.147 ( -0.015 0.453 -6.484) 6.500 21.148 ( -0.112 0.344 -6.407) 6.418 22.017 ( 0.022 0.144 0.633) 0.649 22.021 ( 0.025 -0.157 0.737) 0.754 22.051 ( -0.012 0.435 -0.220) 0.487 22.065 ( -0.018 -0.773 -0.366) 0.856 23.640 ( 0.172 0.248 -0.814) 0.868 23.647 ( 0.143 -0.394 -0.797) 0.900 23.730 ( -0.199 0.932 -0.098) 0.958 23.748 ( -0.073 -0.542 -0.554) 0.779 26.651 ( 0.731 0.128 -0.216) 0.773 26.658 ( 1.063 -0.406 -0.113) 1.143 26.689 ( 0.364 1.031 0.034) 1.094 26.708 ( -0.037 -0.660 -0.060) 0.664 26.745 ( -0.623 0.952 -1.203) 1.656 26.761 ( -0.690 -0.235 -1.557) 1.720 26.837 ( -1.473 0.184 -3.658) 3.948 26.847 ( -0.726 -0.523 -4.209) 4.303 27.218 ( 0.504 0.596 8.328) 8.364 27.242 ( 0.599 -1.420 8.406) 8.546 27.326 ( 0.151 1.153 6.766) 6.865 27.345 ( -0.260 -0.477 6.581) 6.603 30.563 ( 0.107 0.349 0.820) 0.897 30.576 ( 0.118 -0.744 0.692) 1.023 30.598 ( -0.014 0.115 -0.259) 0.284 30.601 ( -0.003 -0.109 -0.172) 0.204 31.798 ( 0.017 0.094 2.440) 2.442 31.802 ( 0.004 -0.262 2.224) 2.239 31.997 ( -0.060 3.162 -5.074) 5.979 32.056 ( -0.161 -1.768 -6.654) 6.887 32.801 ( 0.872 4.310 3.839) 5.837 32.879 ( 0.018 -0.855 0.185) 0.875 32.892 ( 0.026 0.895 0.250) 0.930 32.942 ( 7.536 -2.082 -0.764) 7.856 33.067 ( -3.105 0.038 1.553) 3.472 33.079 ( 0.098 -0.842 1.279) 1.535 33.252 ( -0.824 1.241 3.546) 3.846 33.347 ( -6.058 -7.839 2.824) 10.301 33.555 ( -0.375 1.251 2.554) 2.869 33.587 ( -0.313 -1.235 2.434) 2.747 33.823 ( 0.858 2.889 -5.353) 6.143 33.883 ( 0.511 -2.026 -5.985) 6.340 34.233 ( -1.370 4.478 -2.521) 5.318 34.310 ( -1.415 -2.290 -4.257) 5.036 34.591 ( 1.250 1.927 -1.190) 2.587 34.633 ( 1.860 -1.454 -2.277) 3.280 36.241 ( 0.016 1.654 9.857) 9.995 36.277 ( 0.015 -1.097 8.365) 8.436 36.394 ( -0.026 1.693 11.453) 11.578 36.485 ( -0.655 -6.583 10.139) 12.107 37.740 ( -0.177 1.007 -7.451) 7.521 37.775 ( -0.203 -1.728 -8.309) 8.490 37.822 ( 0.421 2.759 -8.075) 8.543 37.858 ( 0.741 -0.510 -8.990) 9.034 ======================= Grid point 36 (23/36) ======================= q-point: ( 0.20 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 4.890 15.501 12.691) 20.621 1.199 ( 5.985 9.443 9.630) 14.756 1.443 ( 5.039 -14.344 3.405) 15.580 1.587 ( -0.589 -16.858 -0.550) 16.878 1.878 ( 0.770 13.381 -5.748) 14.584 2.021 ( 2.826 4.005 -4.705) 6.795 2.066 ( -1.678 -3.289 -8.449) 9.221 2.148 ( 1.187 -4.646 -7.484) 8.889 2.267 ( 1.926 2.609 -4.753) 5.754 2.375 ( 0.663 -3.686 -7.125) 8.049 2.481 ( 4.719 5.892 -6.662) 10.068 2.501 ( -0.636 2.067 -6.032) 6.408 2.534 ( 2.862 1.265 -4.297) 5.315 2.552 ( 1.681 -0.085 -5.126) 5.396 2.595 ( -0.169 -1.048 -5.318) 5.423 2.638 ( 0.775 -2.046 -2.954) 3.676 2.676 ( -4.013 7.340 1.580) 8.513 2.809 ( -2.074 3.133 -2.620) 4.580 2.843 ( -1.733 -2.128 -1.669) 3.212 2.860 ( 1.282 -1.010 -0.193) 1.643 2.913 ( -0.753 -2.989 -0.750) 3.173 2.930 ( -2.689 -2.758 2.190) 4.431 2.994 ( -0.403 1.385 -1.439) 2.038 3.036 ( 0.150 -0.627 -2.836) 2.909 3.074 ( 1.756 2.688 -0.813) 3.312 3.159 ( -0.877 6.336 0.278) 6.403 3.224 ( -1.125 -0.434 -0.272) 1.236 3.245 ( 1.694 -5.163 -1.447) 5.623 3.290 ( 0.045 -5.925 0.919) 5.996 3.308 ( -4.954 -0.584 -2.364) 5.521 3.335 ( -1.163 -0.122 -1.734) 2.091 3.427 ( -1.115 -6.774 -1.889) 7.120 3.456 ( -4.447 1.948 -2.012) 5.255 3.518 ( -4.963 -2.474 -3.340) 6.474 3.554 ( -2.221 1.470 -2.592) 3.717 3.606 ( -2.438 -0.411 -4.672) 5.286 3.648 ( -3.345 -0.052 0.698) 3.418 3.671 ( -0.779 -2.043 -0.779) 2.321 3.701 ( -0.871 3.438 -1.968) 4.056 3.756 ( 2.888 0.229 -2.897) 4.097 3.774 ( 1.470 -0.798 -0.540) 1.758 3.806 ( 1.175 -0.911 0.978) 1.780 3.833 ( 0.610 0.117 0.141) 0.637 3.870 ( 1.222 -1.266 1.013) 2.030 3.975 ( 1.349 0.682 1.073) 1.854 4.007 ( 3.251 -2.119 1.986) 4.359 4.056 ( -0.293 1.583 1.824) 2.433 4.070 ( 1.807 -0.359 1.652) 2.475 4.115 ( -0.604 3.062 3.059) 4.371 4.167 ( -0.041 -1.009 3.694) 3.830 4.255 ( -2.208 -0.048 2.092) 3.042 4.297 ( 0.145 -0.853 4.542) 4.623 4.363 ( 0.966 0.334 2.845) 3.023 4.407 ( 0.867 -4.356 3.505) 5.658 4.462 ( -1.849 4.579 0.192) 4.942 4.509 ( -3.952 0.666 5.501) 6.806 4.561 ( -1.106 0.124 3.236) 3.422 4.572 ( -4.646 -1.951 6.896) 8.541 4.661 ( -0.443 1.552 -0.214) 1.628 4.668 ( -0.995 1.211 0.576) 1.670 4.693 ( -2.454 6.754 0.315) 7.193 4.758 ( -2.953 -0.054 4.903) 5.724 4.822 ( -0.164 1.803 4.017) 4.406 4.896 ( -3.782 -2.280 0.327) 4.428 4.925 ( -1.264 0.590 -2.059) 2.487 4.947 ( -2.227 0.507 4.392) 4.950 4.989 ( -0.198 5.627 4.767) 7.377 5.021 ( -0.609 -2.191 3.257) 3.972 5.030 ( -2.113 -2.563 -2.482) 4.147 5.146 ( 0.968 -5.862 -0.732) 5.987 5.213 ( -2.231 1.407 0.892) 2.785 5.254 ( -0.847 -2.038 -2.819) 3.580 5.409 ( -1.384 0.727 -2.023) 2.557 5.448 ( 0.649 -2.230 -1.794) 2.935 5.609 ( 3.592 2.929 1.673) 4.927 5.654 ( 3.598 -0.720 1.898) 4.131 5.919 ( 10.600 1.353 6.623) 12.572 5.972 ( 4.961 -2.979 7.120) 9.175 6.239 ( 0.751 1.118 -6.333) 6.474 6.267 ( -1.871 -1.435 -8.210) 8.541 6.279 ( 4.179 -0.978 -7.228) 8.406 6.289 ( 4.454 -2.020 -2.665) 5.569 6.508 ( 0.201 3.834 -6.712) 7.733 6.566 ( -0.602 -0.598 -6.798) 6.850 6.723 ( -2.369 4.394 -7.160) 8.729 6.805 ( -1.156 -0.258 -3.159) 3.374 6.842 ( -0.547 1.118 -2.704) 2.977 6.880 ( 1.596 -1.345 -3.572) 4.137 7.055 ( -2.708 3.446 3.154) 5.400 7.207 ( -1.543 -8.264 1.798) 8.597 7.252 ( 6.895 0.155 3.031) 7.533 7.282 ( 4.108 -0.888 4.177) 5.926 7.325 ( -0.128 0.696 4.099) 4.159 7.370 ( -0.736 -1.710 3.980) 4.394 7.467 ( -1.591 3.251 -0.884) 3.726 7.508 ( -0.034 1.744 3.919) 4.289 7.561 ( 3.667 -0.184 2.984) 4.731 7.603 ( -0.724 0.012 3.861) 3.929 7.661 ( 4.241 4.303 0.368) 6.053 7.704 ( 5.344 3.124 -2.463) 6.662 7.720 ( 1.660 2.717 0.604) 3.241 7.785 ( -2.394 1.018 -0.945) 2.768 7.814 ( 0.862 -2.641 -0.292) 2.794 7.828 ( 1.278 -5.104 1.724) 5.537 7.937 ( 6.804 3.746 0.336) 7.775 7.978 ( 2.486 3.350 -1.451) 4.417 8.013 ( -0.017 -3.047 0.880) 3.172 8.120 ( 3.210 -1.500 -2.588) 4.388 8.150 ( 3.152 6.581 -0.974) 7.362 8.232 ( 4.247 -2.540 0.882) 5.027 8.284 ( 6.483 1.979 -4.495) 8.133 8.357 ( -0.483 3.273 -1.340) 3.569 8.444 ( -0.704 -3.335 4.144) 5.366 8.495 ( -2.784 -2.659 -0.543) 3.888 8.696 ( 3.436 -0.536 -1.903) 3.965 8.745 ( -2.107 -2.906 -0.922) 3.706 8.815 ( -6.209 -1.017 -4.913) 7.983 8.893 ( -3.796 -5.839 1.008) 7.037 8.990 ( -1.123 5.577 8.839) 10.512 9.054 ( 0.242 0.169 5.677) 5.685 9.107 ( -1.698 6.557 1.606) 6.961 9.228 ( -4.654 -1.289 2.006) 5.229 9.335 ( 2.082 -1.923 3.663) 4.631 9.356 ( -10.228 -1.966 -2.509) 10.713 9.415 ( -2.061 -2.605 2.579) 4.205 9.503 ( -3.964 -4.924 7.843) 10.074 9.671 ( 0.304 0.283 1.750) 1.798 9.714 ( -1.969 -0.833 5.108) 5.538 10.057 ( -7.353 2.765 2.069) 8.124 10.092 ( -1.608 2.597 -1.832) 3.562 10.169 ( 0.895 2.351 -3.967) 4.697 10.293 ( -2.582 -0.756 -0.854) 2.822 10.356 ( -0.496 0.616 1.225) 1.458 10.426 ( 0.669 -0.747 1.215) 1.576 10.591 ( -8.396 10.044 3.045) 13.441 10.889 ( 0.106 -13.031 1.383) 13.104 11.165 ( 8.131 1.413 -12.091) 14.639 11.227 ( 1.641 -4.298 -11.691) 12.564 11.493 ( 0.766 5.512 1.968) 5.902 11.561 ( 6.391 8.442 -1.837) 10.746 11.599 ( -1.868 -3.201 7.224) 8.119 11.753 ( 3.810 -7.994 -2.297) 9.149 12.077 ( -6.663 6.090 -9.362) 13.005 12.191 ( -6.483 -3.907 -9.670) 12.280 13.398 ( -0.289 0.196 -3.852) 3.868 13.404 ( 0.009 -0.225 -3.498) 3.505 13.587 ( -0.890 0.201 -6.794) 6.855 13.602 ( -1.397 -0.725 -7.387) 7.553 13.834 ( -3.649 0.723 9.556) 10.254 13.855 ( -1.048 -0.997 10.574) 10.672 14.018 ( 0.775 0.958 13.280) 13.337 14.039 ( -0.414 -0.711 13.566) 13.591 15.128 ( 1.563 2.271 -5.673) 6.307 15.181 ( 1.893 -1.996 -3.758) 4.657 15.312 ( 3.495 0.739 -1.858) 4.027 15.349 ( 3.726 -2.216 0.628) 4.381 15.446 ( 0.808 4.588 -1.175) 4.805 15.542 ( 1.178 -2.677 -1.382) 3.235 15.776 ( 2.099 4.262 6.428) 7.994 15.900 ( 0.441 -5.151 4.707) 6.992 17.033 ( -4.092 0.367 2.671) 4.900 17.046 ( -3.849 -0.638 2.711) 4.751 17.123 ( -3.260 2.645 0.452) 4.222 17.192 ( -3.514 -2.881 1.410) 4.758 17.449 ( -4.350 0.742 1.380) 4.624 17.476 ( -3.744 -1.516 2.021) 4.516 17.514 ( -2.005 0.997 -2.366) 3.258 17.558 ( -1.751 -2.502 -2.846) 4.174 17.680 ( 2.242 0.837 3.252) 4.038 17.697 ( 2.541 -0.714 3.296) 4.222 17.771 ( 4.345 1.648 -1.233) 4.808 17.776 ( 4.481 1.371 -0.692) 4.737 19.397 ( 0.333 0.159 -0.681) 0.774 19.401 ( 0.363 -0.147 -0.508) 0.642 19.432 ( 0.396 1.398 -1.595) 2.158 19.461 ( 0.319 -0.913 -2.950) 3.105 19.774 ( 1.620 1.771 -8.472) 8.805 19.821 ( 1.366 -1.948 -8.807) 9.123 19.923 ( 1.484 0.314 -5.975) 6.165 19.930 ( 1.836 -0.130 -6.188) 6.456 20.303 ( 0.065 0.328 1.452) 1.490 20.311 ( -0.123 -0.318 1.095) 1.147 20.347 ( -0.243 0.171 0.278) 0.407 20.351 ( -0.322 -0.187 0.070) 0.379 21.067 ( 0.157 0.747 -4.221) 4.289 21.088 ( 0.302 -0.991 -4.674) 4.787 21.137 ( -0.624 0.644 -6.305) 6.369 21.143 ( -0.379 0.064 -6.002) 6.015 22.016 ( -0.098 0.157 0.620) 0.647 22.020 ( -0.073 -0.172 0.700) 0.724 22.049 ( -0.141 0.326 -0.234) 0.426 22.059 ( -0.465 -0.486 -0.244) 0.716 23.642 ( 0.001 0.241 -0.641) 0.685 23.651 ( 0.154 -0.514 -0.599) 0.804 23.735 ( 0.621 0.892 -0.141) 1.096 23.752 ( 0.447 -0.527 -0.531) 0.872 26.604 ( -4.677 0.326 -0.982) 4.790 26.617 ( -3.800 -0.763 -1.420) 4.128 26.679 ( -1.476 1.413 -1.534) 2.555 26.699 ( 0.704 -0.286 0.020) 0.760 26.721 ( -0.436 0.297 0.559) 0.768 26.735 ( -0.915 -0.736 -0.874) 1.463 26.871 ( 2.942 1.003 -2.710) 4.124 26.896 ( 3.192 -0.987 -3.040) 4.517 27.239 ( 1.298 0.632 7.445) 7.583 27.262 ( 1.100 -1.237 7.882) 8.054 27.333 ( 0.469 0.700 6.631) 6.685 27.343 ( 0.114 -0.174 6.589) 6.592 30.563 ( -0.135 0.252 0.793) 0.842 30.571 ( -0.442 -0.486 0.754) 1.000 30.595 ( -0.161 0.120 -0.346) 0.400 30.598 ( -0.169 -0.111 -0.231) 0.307 31.802 ( 0.374 0.112 2.251) 2.285 31.805 ( 0.208 -0.128 2.104) 2.118 31.983 ( -0.884 2.208 -3.974) 4.631 32.029 ( -2.003 -1.508 -5.514) 6.057 32.799 ( -0.504 2.658 3.800) 4.665 32.851 ( -0.723 -1.533 1.105) 2.023 32.940 ( 0.818 2.746 1.478) 3.224 33.000 ( -3.205 -1.623 4.320) 5.619 33.122 ( 8.226 0.926 -1.210) 8.366 33.146 ( 4.757 -0.679 1.436) 5.015 33.235 ( -0.173 0.504 2.183) 2.247 33.304 ( 3.524 -6.087 -3.389) 7.808 33.528 ( -1.955 1.884 2.289) 3.551 33.566 ( -1.707 -1.337 3.200) 3.865 33.812 ( -1.902 2.686 -4.530) 5.599 33.866 ( -1.965 -1.798 -4.780) 5.472 34.219 ( 0.418 4.660 -1.401) 4.883 34.347 ( 3.330 -6.177 -5.887) 9.159 34.655 ( 3.990 4.014 -4.642) 7.320 34.731 ( 6.088 -2.534 -6.423) 9.205 36.253 ( 1.019 1.444 10.248) 10.399 36.287 ( 0.773 -1.111 8.708) 8.812 36.392 ( -0.152 1.115 11.481) 11.536 36.451 ( -2.158 -4.203 10.954) 11.929 37.739 ( 0.127 0.675 -7.247) 7.279 37.767 ( -0.397 -1.289 -7.862) 7.977 37.831 ( 0.319 3.145 -8.649) 9.208 37.891 ( 1.762 -1.979 -11.049) 11.363 ======================= Grid point 37 (24/36) ======================= q-point: ( 0.40 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 13.130 6.444 -2.104) 14.776 1.366 ( 6.086 -4.146 -4.082) 8.419 1.587 ( 6.582 -4.171 -6.643) 10.239 1.650 ( 3.749 -8.975 -8.610) 12.990 1.845 ( 0.796 11.103 0.996) 11.175 2.037 ( -2.248 4.421 -5.555) 7.447 2.054 ( 2.073 -3.047 -4.211) 5.596 2.132 ( -1.871 -2.161 -6.570) 7.165 2.252 ( -5.495 2.904 -1.263) 6.342 2.303 ( -6.165 -1.393 -2.831) 6.926 2.435 ( -8.414 -3.206 -2.479) 9.339 2.468 ( -1.306 -4.869 -10.544) 11.687 2.567 ( -1.359 4.025 -5.371) 6.848 2.583 ( 0.373 0.947 -6.068) 6.153 2.624 ( 1.623 1.196 -4.110) 4.577 2.652 ( 5.104 2.128 0.659) 5.569 2.720 ( 4.723 -2.571 -5.932) 8.007 2.784 ( -0.290 -0.350 -1.975) 2.027 2.838 ( -2.153 -1.206 -0.459) 2.510 2.863 ( 1.405 0.182 -1.638) 2.166 2.901 ( 3.894 -1.533 -1.711) 4.522 2.954 ( 3.796 -5.833 -0.334) 6.967 3.024 ( -0.229 4.524 -3.650) 5.817 3.044 ( 2.249 3.338 0.148) 4.028 3.119 ( 3.119 0.438 -2.188) 3.835 3.175 ( -5.580 0.273 -0.683) 5.628 3.192 ( 2.490 7.315 -2.090) 8.005 3.224 ( 0.282 -0.423 -1.999) 2.062 3.269 ( -1.705 -0.551 -0.887) 1.999 3.281 ( -1.333 2.217 -2.465) 3.573 3.311 ( 3.096 -1.291 -0.909) 3.475 3.347 ( -3.860 -2.891 -2.069) 5.248 3.405 ( -0.879 4.313 -1.454) 4.636 3.419 ( -0.759 0.927 -4.136) 4.306 3.519 ( -5.944 3.368 -2.553) 7.293 3.584 ( -1.196 -4.060 -1.190) 4.396 3.588 ( 0.524 -0.839 -3.160) 3.311 3.625 ( -0.658 -3.484 -2.383) 4.272 3.723 ( 1.781 -0.175 -2.159) 2.804 3.774 ( -0.673 -3.200 -3.470) 4.768 3.813 ( -1.304 2.516 -1.649) 3.279 3.848 ( 0.587 1.559 2.581) 3.072 3.876 ( 1.681 0.034 -0.726) 1.831 3.925 ( 1.663 -2.643 -2.430) 3.957 3.954 ( 1.167 1.262 3.829) 4.197 4.039 ( 3.931 -3.539 4.691) 7.070 4.069 ( 0.544 1.900 2.078) 2.867 4.116 ( -3.562 1.409 3.674) 5.308 4.139 ( 5.025 0.179 1.112) 5.150 4.167 ( 1.612 0.692 1.263) 2.161 4.244 ( -3.305 -1.785 0.496) 3.789 4.274 ( -4.743 -1.853 -0.563) 5.123 4.307 ( -4.673 0.237 3.337) 5.747 4.362 ( -0.228 -2.675 2.814) 3.890 4.403 ( -1.319 1.819 5.281) 5.739 4.431 ( -1.982 -0.359 3.009) 3.621 4.461 ( -1.228 3.709 5.022) 6.363 4.562 ( -0.086 -3.923 6.544) 7.631 4.630 ( -1.838 -0.115 1.318) 2.264 4.648 ( -0.303 -0.313 0.823) 0.931 4.697 ( 0.451 3.371 1.941) 3.916 4.722 ( -1.357 0.469 8.234) 8.358 4.822 ( -1.216 1.259 3.256) 3.697 4.865 ( 1.210 -0.518 4.158) 4.361 4.884 ( -0.909 4.626 5.494) 7.240 4.928 ( 1.056 -0.657 8.001) 8.097 4.971 ( 0.298 -2.255 2.462) 3.352 5.016 ( -0.759 -6.642 -1.321) 6.815 5.061 ( 2.528 4.299 2.276) 5.482 5.156 ( 0.182 -2.223 2.613) 3.436 5.174 ( -0.490 1.831 -2.251) 2.943 5.246 ( 0.351 -2.574 -2.458) 3.576 5.375 ( -1.779 1.638 -3.078) 3.914 5.421 ( -2.842 -2.007 -5.602) 6.594 5.645 ( -0.421 3.362 -0.467) 3.420 5.704 ( 0.762 -1.704 1.302) 2.276 6.030 ( -1.147 3.010 4.335) 5.400 6.093 ( 3.211 -2.239 6.365) 7.472 6.205 ( 1.550 3.006 -5.878) 6.781 6.290 ( 2.555 -3.396 -11.298) 12.071 6.409 ( 4.872 0.598 0.877) 4.986 6.448 ( 8.166 -1.880 -3.159) 8.955 6.522 ( 0.004 1.566 -10.099) 10.219 6.581 ( 2.561 -2.512 -2.841) 4.576 6.659 ( -2.174 5.802 -4.803) 7.840 6.783 ( -1.527 -4.451 -4.473) 6.492 6.811 ( -0.464 5.023 -0.072) 5.045 6.902 ( 0.473 -1.844 -2.775) 3.365 7.024 ( 0.068 1.819 3.068) 3.568 7.139 ( -2.438 -7.848 2.244) 8.519 7.298 ( -1.939 1.723 -1.555) 3.024 7.308 ( -2.061 2.736 -2.098) 4.017 7.392 ( -0.006 0.607 6.618) 6.646 7.412 ( 2.721 -1.442 7.830) 8.413 7.452 ( 1.132 1.200 2.926) 3.359 7.512 ( -1.784 -2.569 1.475) 3.458 7.565 ( -1.779 3.833 7.009) 8.185 7.579 ( 0.451 2.037 3.157) 3.784 7.663 ( 0.841 3.216 0.492) 3.360 7.688 ( -3.039 0.553 0.945) 3.230 7.773 ( 0.456 2.367 2.614) 3.556 7.832 ( 3.996 2.914 1.056) 5.057 7.839 ( 0.959 -1.572 1.831) 2.596 7.941 ( -0.293 -2.823 -0.959) 2.996 7.975 ( -1.532 -1.484 -1.572) 2.649 7.993 ( 4.500 -3.234 -6.138) 8.269 8.067 ( 3.130 4.592 -3.653) 6.650 8.165 ( 2.592 8.039 -3.604) 9.183 8.195 ( 0.898 0.894 0.919) 1.565 8.287 ( -1.389 -1.650 0.053) 2.158 8.365 ( 1.074 -2.002 -3.637) 4.288 8.433 ( 2.999 0.538 3.030) 4.296 8.437 ( -0.925 -3.621 -1.523) 4.036 8.489 ( 3.357 -1.140 5.146) 6.249 8.686 ( -0.980 1.019 -7.924) 8.049 8.741 ( -0.487 -4.570 -7.273) 8.603 8.779 ( 1.515 -2.529 -0.535) 2.996 8.820 ( 1.615 -4.666 2.725) 5.639 8.965 ( -3.763 6.146 8.570) 11.197 9.025 ( -2.423 3.532 -1.822) 4.654 9.078 ( 2.624 -1.926 0.585) 3.307 9.132 ( -5.597 -3.158 1.517) 6.603 9.251 ( 1.060 8.066 6.060) 10.144 9.365 ( 0.423 -3.154 5.791) 6.608 9.408 ( -1.448 -6.801 1.418) 7.097 9.491 ( 6.652 -6.377 11.234) 14.529 9.680 ( -0.708 3.574 3.319) 4.929 9.710 ( 2.904 1.950 8.444) 9.140 9.866 ( -8.388 1.421 7.031) 11.037 9.980 ( -9.231 -5.503 4.213) 11.544 10.168 ( -3.936 1.191 -4.680) 6.230 10.204 ( -1.102 0.550 -3.363) 3.582 10.397 ( -4.930 12.993 -3.925) 14.440 10.408 ( 4.833 2.829 0.975) 5.684 10.493 ( 1.610 -1.610 0.815) 2.418 10.794 ( -7.752 -15.389 -4.520) 17.814 11.114 ( -4.845 6.762 -6.174) 10.360 11.273 ( 0.472 -6.182 -6.151) 8.733 11.579 ( 2.089 3.168 1.203) 3.981 11.607 ( 1.674 0.451 2.807) 3.299 11.734 ( 6.111 5.023 -4.262) 8.985 11.827 ( 2.683 -2.677 -5.895) 7.008 11.979 ( -0.021 2.366 -5.776) 6.242 12.065 ( -3.859 -4.460 -7.508) 9.547 13.398 ( 0.398 0.358 -4.031) 4.067 13.406 ( 0.074 -0.223 -3.683) 3.691 13.554 ( -1.712 0.153 -6.613) 6.832 13.562 ( -1.749 -0.464 -6.562) 6.807 13.776 ( -1.635 1.963 9.626) 9.960 13.828 ( -1.405 -2.241 9.568) 9.927 14.026 ( -0.078 0.285 12.572) 12.576 14.029 ( -0.362 0.079 12.608) 12.614 15.194 ( 4.000 2.469 -6.564) 8.074 15.250 ( 3.821 -2.079 -3.665) 5.688 15.360 ( 0.365 1.203 -3.516) 3.734 15.394 ( 0.072 -0.836 -6.103) 6.161 15.457 ( 0.015 3.637 5.059) 6.231 15.551 ( -0.428 -2.335 -1.543) 2.832 15.815 ( 1.148 3.083 10.976) 11.459 15.908 ( 0.558 -3.974 7.717) 8.698 16.962 ( -1.908 0.650 0.328) 2.042 16.983 ( -1.304 -0.974 0.695) 1.770 17.074 ( -0.576 1.997 -1.398) 2.505 17.131 ( -1.610 -2.514 -0.794) 3.089 17.356 ( -3.536 1.324 0.071) 3.777 17.392 ( -3.283 -1.556 0.010) 3.633 17.499 ( -0.042 0.377 -1.946) 1.983 17.543 ( -0.195 -3.331 -3.195) 4.620 17.715 ( 0.797 0.648 6.194) 6.279 17.733 ( 0.606 -0.999 6.069) 6.180 17.840 ( 1.911 2.125 0.854) 2.983 17.846 ( 2.000 1.732 1.137) 2.880 19.404 ( 0.258 0.241 -0.580) 0.679 19.409 ( 0.330 -0.185 -0.328) 0.501 19.440 ( 0.234 1.040 -1.551) 1.882 19.466 ( 0.262 -1.013 -2.208) 2.444 19.797 ( 0.294 1.414 -9.604) 9.712 19.824 ( -0.911 -0.600 -9.546) 9.608 19.962 ( 1.561 0.058 -5.839) 6.045 19.973 ( 1.770 -0.727 -6.312) 6.595 20.304 ( -0.040 0.172 1.347) 1.359 20.307 ( -0.114 -0.118 1.045) 1.058 20.341 ( -0.210 0.233 0.234) 0.391 20.348 ( -0.017 -0.292 0.134) 0.322 21.071 ( 0.138 0.726 -4.878) 4.934 21.091 ( -0.029 -0.927 -5.063) 5.147 21.127 ( -0.213 0.602 -5.624) 5.660 21.136 ( -0.202 -0.158 -5.593) 5.598 22.014 ( -0.082 0.172 0.605) 0.635 22.019 ( -0.074 -0.187 0.636) 0.667 22.047 ( -0.057 0.179 -0.264) 0.324 22.051 ( -0.198 -0.197 -0.197) 0.341 23.640 ( -0.102 0.352 -0.232) 0.433 23.652 ( -0.016 -0.640 -0.391) 0.750 23.749 ( 0.539 0.631 -0.282) 0.876 23.762 ( 0.336 -0.395 -0.580) 0.778 26.528 ( -2.212 0.494 -1.296) 2.611 26.550 ( -1.764 -1.486 -0.992) 2.511 26.654 ( -0.796 2.125 -3.779) 4.408 26.692 ( -0.996 -1.078 -3.559) 3.850 26.727 ( 0.695 0.348 2.371) 2.495 26.738 ( 0.808 -0.554 2.291) 2.492 26.919 ( 1.437 1.220 -2.511) 3.140 26.948 ( 1.579 -1.095 -2.981) 3.547 27.260 ( 0.421 0.575 6.863) 6.900 27.278 ( 0.225 -0.911 7.487) 7.546 27.339 ( 0.052 0.579 6.415) 6.441 27.350 ( 0.438 -0.281 6.777) 6.797 30.559 ( -0.190 0.145 0.730) 0.768 30.563 ( -0.269 -0.175 0.787) 0.850 30.593 ( -0.055 0.084 -0.416) 0.428 30.595 ( -0.088 -0.112 -0.320) 0.350 31.808 ( 0.068 0.071 1.888) 1.891 31.810 ( 0.238 -0.127 2.048) 2.066 31.970 ( -0.374 0.978 -3.098) 3.270 31.993 ( -0.995 -0.900 -3.958) 4.179 32.787 ( -0.635 1.734 5.046) 5.373 32.834 ( -1.443 -2.155 4.052) 4.811 32.933 ( -1.194 1.815 3.336) 3.981 32.966 ( 1.085 -0.743 1.645) 2.106 33.181 ( -1.370 0.086 3.031) 3.327 33.195 ( -0.085 -1.128 1.826) 2.148 33.348 ( 7.898 2.855 -5.179) 9.867 33.423 ( 5.397 -3.087 -5.906) 8.576 33.499 ( -0.105 1.422 0.867) 1.668 33.529 ( -1.133 -1.067 3.242) 3.597 33.753 ( -3.159 3.245 -3.266) 5.583 33.818 ( -2.144 -2.108 -2.784) 4.098 34.237 ( 0.950 5.742 -1.595) 6.035 34.412 ( 2.468 -8.730 -6.691) 11.273 34.722 ( 1.816 4.764 -8.314) 9.752 34.817 ( 1.228 -3.416 -10.021) 10.659 36.274 ( 0.640 1.070 10.547) 10.621 36.302 ( 0.463 -1.065 9.256) 9.328 36.389 ( -0.113 0.574 11.510) 11.525 36.417 ( -0.692 -1.907 12.211) 12.378 37.743 ( 0.182 0.400 -7.288) 7.301 37.762 ( -0.039 -0.896 -7.802) 7.854 37.834 ( -0.075 3.513 -9.334) 9.973 37.913 ( 0.241 -3.048 -12.543) 12.910 ======================= Grid point 38 (25/36) ======================= q-point: (-0.40 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -5.263 -2.482 -3.436) 6.757 1.379 ( -3.914 -0.723 -2.001) 4.455 1.606 ( -5.862 -4.646 -7.736) 10.761 1.649 ( -1.844 -6.199 -5.182) 8.287 1.854 ( -1.241 14.176 -0.211) 14.232 2.042 ( 3.440 4.984 -0.896) 6.122 2.098 ( -2.292 -4.886 -9.387) 10.828 2.121 ( -1.068 1.723 -5.960) 6.295 2.180 ( 6.334 3.484 -2.496) 7.647 2.276 ( 4.112 -5.140 -5.295) 8.448 2.380 ( 2.475 0.464 -6.390) 6.868 2.448 ( 0.148 -3.659 -9.216) 9.917 2.544 ( -0.735 0.553 -7.480) 7.536 2.554 ( -1.866 -1.616 -2.136) 3.265 2.657 ( 1.332 1.858 -0.523) 2.346 2.715 ( -0.889 -1.826 -2.562) 3.270 2.735 ( 1.949 1.471 2.053) 3.190 2.809 ( 0.371 -3.923 2.496) 4.664 2.848 ( -3.044 2.173 -4.051) 5.514 2.894 ( 5.070 2.202 -3.194) 6.384 2.926 ( -2.931 0.623 -7.659) 8.224 2.983 ( 0.947 -1.047 -3.044) 3.355 3.038 ( -4.140 -0.852 0.095) 4.228 3.079 ( 0.578 -1.095 -2.526) 2.813 3.145 ( 3.925 1.610 -1.285) 4.433 3.154 ( 2.060 1.013 -5.688) 6.134 3.191 ( -3.836 1.711 2.713) 5.000 3.194 ( -0.669 0.989 0.455) 1.278 3.265 ( 2.634 1.458 -2.923) 4.196 3.307 ( 2.351 -0.613 -0.733) 2.538 3.341 ( 1.024 -0.078 -3.970) 4.101 3.372 ( -0.294 1.764 -2.785) 3.310 3.386 ( -0.262 2.811 -4.130) 5.003 3.415 ( 2.932 0.622 -2.522) 3.917 3.483 ( -4.693 1.789 0.888) 5.100 3.540 ( 4.381 3.287 0.218) 5.481 3.582 ( 1.564 -5.343 -2.821) 6.241 3.630 ( -3.608 -3.000 -1.176) 4.837 3.733 ( -0.779 1.129 -3.330) 3.601 3.762 ( 0.520 -1.150 0.289) 1.295 3.773 ( 1.518 2.768 -1.035) 3.322 3.863 ( -0.865 -0.764 -1.269) 1.716 3.884 ( -4.016 -4.015 0.631) 5.714 3.917 ( 4.493 -1.563 0.667) 4.804 3.973 ( -3.186 -1.192 2.715) 4.352 4.012 ( -5.674 -3.739 1.338) 6.926 4.064 ( 4.142 3.967 -0.456) 5.753 4.108 ( -2.280 2.210 2.225) 3.878 4.146 ( 0.525 -1.654 1.061) 2.034 4.210 ( 0.577 -3.322 0.520) 3.411 4.251 ( 6.894 2.938 3.828) 8.415 4.317 ( 8.988 0.903 1.586) 9.171 4.345 ( -0.165 -0.361 5.525) 5.539 4.378 ( 1.749 -1.634 1.489) 2.819 4.401 ( 0.873 -0.140 1.032) 1.359 4.432 ( 2.716 -1.229 1.060) 3.164 4.488 ( 3.890 3.634 2.944) 6.083 4.553 ( -1.645 0.024 4.486) 4.778 4.593 ( -0.092 -1.466 2.722) 3.094 4.629 ( -4.208 -1.559 4.475) 6.338 4.662 ( -0.106 3.377 4.104) 5.316 4.712 ( 0.988 -0.547 6.298) 6.398 4.824 ( 1.484 5.089 1.751) 5.582 4.885 ( 0.276 3.853 7.866) 8.763 4.922 ( 3.878 0.771 5.303) 6.615 4.950 ( 0.544 -3.599 7.447) 8.289 4.990 ( 0.194 -3.081 3.742) 4.851 5.028 ( 2.096 -4.977 -0.057) 5.401 5.076 ( 0.013 3.946 2.045) 4.444 5.180 ( 1.977 -3.012 2.425) 4.343 5.209 ( 2.863 0.975 -3.173) 4.384 5.275 ( 2.365 -2.916 0.847) 3.849 5.328 ( -2.443 0.990 -6.746) 7.243 5.361 ( -1.865 -1.197 -6.557) 6.921 5.587 ( -4.942 4.844 -0.630) 6.949 5.672 ( -3.951 -2.657 0.963) 4.858 5.922 ( -7.337 6.848 2.044) 10.242 6.063 ( -5.545 -4.297 7.557) 10.311 6.272 ( 2.695 0.127 0.261) 2.711 6.331 ( 0.373 -5.223 -6.933) 8.688 6.442 ( -1.231 1.574 -5.541) 5.890 6.455 ( -3.656 0.414 -12.431) 12.964 6.597 ( 4.025 0.115 -4.804) 6.269 6.615 ( 0.616 -2.322 -5.042) 5.585 6.697 ( 4.169 4.430 -4.702) 7.688 6.759 ( 0.209 -0.547 -1.807) 1.900 6.873 ( 4.764 3.100 -0.826) 5.744 6.924 ( 2.515 -0.636 0.177) 2.600 7.033 ( -1.063 -0.310 -0.028) 1.108 7.055 ( -7.845 -2.512 -3.760) 9.055 7.223 ( -3.277 1.586 1.887) 4.100 7.277 ( -0.032 -1.914 0.398) 1.955 7.345 ( -3.758 1.538 4.561) 6.107 7.359 ( -2.870 0.199 4.576) 5.405 7.428 ( 0.286 2.989 7.667) 8.234 7.505 ( 0.720 -2.434 5.898) 6.421 7.576 ( 0.491 2.128 5.155) 5.599 7.622 ( 0.683 -0.688 1.557) 1.834 7.667 ( 0.133 1.327 0.484) 1.419 7.725 ( -0.560 -1.784 1.573) 2.444 7.739 ( 0.936 3.478 0.734) 3.676 7.769 ( -2.027 1.058 0.463) 2.332 7.841 ( -4.331 1.361 -0.185) 4.543 7.884 ( -4.018 -0.222 -1.510) 4.299 7.958 ( -2.427 6.765 0.268) 7.192 8.021 ( -0.934 0.485 -3.805) 3.948 8.066 ( -8.541 0.192 -1.973) 8.768 8.136 ( -3.118 -0.824 -3.339) 4.642 8.212 ( -3.160 0.927 -2.517) 4.145 8.285 ( 3.974 -3.140 -2.519) 5.657 8.365 ( -1.828 -1.719 -0.601) 2.580 8.381 ( -0.770 -2.569 -0.075) 2.683 8.405 ( -1.483 -1.606 2.641) 3.428 8.551 ( 1.472 -3.954 2.118) 4.721 8.706 ( -0.408 -0.066 5.825) 5.839 8.752 ( 2.739 3.208 -9.174) 10.097 8.796 ( -0.127 1.551 -0.159) 1.565 8.916 ( 1.832 3.838 8.792) 9.766 8.983 ( 8.244 -5.389 -4.927) 11.012 9.032 ( 1.104 2.532 2.056) 3.444 9.061 ( 0.300 -1.518 6.120) 6.312 9.163 ( 3.474 -2.685 0.766) 4.458 9.251 ( 3.440 0.791 1.134) 3.707 9.324 ( -4.036 -2.662 5.380) 7.233 9.489 ( 2.389 -1.294 2.760) 3.873 9.560 ( 1.223 -0.088 9.125) 9.207 9.680 ( 2.444 3.971 5.018) 6.850 9.784 ( 6.695 3.843 5.880) 9.704 9.866 ( 3.310 -7.594 5.957) 10.203 9.916 ( 6.509 -5.592 4.993) 9.928 10.071 ( -4.120 1.861 -3.511) 5.724 10.126 ( -5.316 -1.536 -4.139) 6.910 10.308 ( -1.920 12.734 -1.383) 12.952 10.535 ( 5.592 0.619 0.926) 5.702 10.597 ( 5.707 -1.684 -2.039) 6.290 10.635 ( -6.295 -9.578 -7.531) 13.714 11.021 ( -4.345 6.969 -2.190) 8.500 11.184 ( -7.562 -4.702 -7.351) 11.547 11.550 ( -3.901 2.527 -1.254) 4.814 11.609 ( -1.213 -2.389 4.107) 4.903 11.792 ( 0.770 4.382 -4.704) 6.474 11.905 ( 3.254 -4.479 -4.308) 7.015 12.032 ( 5.211 3.889 -4.812) 8.089 12.120 ( 7.254 -2.380 -8.400) 11.351 13.404 ( -0.227 0.286 -3.984) 4.001 13.408 ( 0.299 -0.056 -3.983) 3.994 13.523 ( -1.170 0.548 -5.488) 5.638 13.542 ( -0.151 -0.928 -5.676) 5.753 13.777 ( 1.855 1.211 9.629) 9.880 13.809 ( -0.002 -1.334 9.035) 9.133 14.020 ( -0.573 0.438 11.656) 11.678 14.028 ( 0.317 -0.235 11.948) 11.955 15.267 ( 2.464 1.741 -7.181) 7.789 15.292 ( -0.921 0.182 -1.593) 1.849 15.318 ( -3.574 1.257 -5.576) 6.741 15.365 ( -2.387 -2.319 -3.742) 5.008 15.438 ( -1.402 3.212 1.819) 3.948 15.526 ( -1.616 -2.927 -1.364) 3.611 15.818 ( -0.875 4.056 11.426) 12.156 15.923 ( 0.350 -4.055 8.564) 9.482 16.968 ( 2.410 1.351 -0.026) 2.763 17.005 ( 3.072 -1.552 1.075) 3.606 17.120 ( 4.646 0.727 -1.152) 4.841 17.141 ( 2.504 -0.977 -1.020) 2.875 17.321 ( 0.541 1.267 -0.668) 1.531 17.358 ( 0.270 -1.686 -0.404) 1.755 17.507 ( 0.889 0.043 -1.744) 1.958 17.542 ( 0.194 -3.088 -3.137) 4.406 17.706 ( -1.776 0.381 6.594) 6.840 17.719 ( -1.913 -1.002 5.840) 6.227 17.843 ( -1.639 2.474 1.425) 3.292 17.856 ( -1.174 1.423 1.445) 2.343 19.405 ( -0.182 0.141 -0.472) 0.525 19.410 ( -0.289 -0.279 -0.361) 0.540 19.441 ( -0.102 1.370 -1.311) 1.899 19.474 ( 0.388 -1.326 -2.196) 2.594 19.783 ( -1.471 0.734 -9.599) 9.738 19.793 ( -1.780 0.005 -9.591) 9.755 19.971 ( -0.745 0.411 -5.937) 5.998 19.989 ( -0.405 -0.955 -6.562) 6.643 20.301 ( -0.122 0.297 1.316) 1.355 20.308 ( 0.093 -0.245 1.129) 1.159 20.340 ( 0.122 0.367 0.254) 0.463 20.350 ( 0.210 -0.404 0.065) 0.460 21.072 ( -0.040 0.599 -4.894) 4.931 21.089 ( -0.103 -0.878 -4.999) 5.077 21.128 ( 0.333 0.635 -5.595) 5.641 21.137 ( 0.305 -0.145 -5.652) 5.662 22.014 ( 0.043 0.170 0.610) 0.635 22.018 ( 0.030 -0.185 0.630) 0.658 22.047 ( 0.075 0.184 -0.265) 0.331 22.052 ( 0.225 -0.205 -0.189) 0.358 23.638 ( -0.111 0.366 -0.172) 0.419 23.650 ( -0.207 -0.589 -0.387) 0.735 23.753 ( -0.255 0.517 -0.309) 0.654 23.763 ( -0.229 -0.333 -0.617) 0.737 26.519 ( 1.476 0.910 -1.151) 2.081 26.552 ( 1.827 -1.909 -1.000) 2.825 26.650 ( 0.457 1.611 -3.079) 3.505 26.675 ( -0.463 -0.629 -2.648) 2.761 26.739 ( 0.432 0.643 1.745) 1.909 26.756 ( 0.739 -0.626 1.252) 1.583 26.929 ( -0.473 1.091 -3.004) 3.231 26.958 ( -0.694 -1.141 -3.448) 3.698 27.252 ( -1.176 0.512 7.277) 7.389 27.268 ( -1.081 -0.860 7.774) 7.895 27.336 ( -0.368 0.976 6.575) 6.658 27.355 ( 0.034 -0.653 6.732) 6.764 30.557 ( 0.007 0.201 0.718) 0.746 30.562 ( 0.136 -0.202 0.814) 0.850 30.594 ( 0.108 0.055 -0.374) 0.393 30.595 ( 0.095 -0.093 -0.317) 0.344 31.806 ( -0.206 0.144 1.990) 2.006 31.812 ( -0.116 -0.303 1.927) 1.954 31.967 ( 0.261 1.323 -3.179) 3.453 31.998 ( 1.281 -1.209 -3.932) 4.308 32.775 ( -0.458 0.878 5.020) 5.117 32.800 ( -1.066 -1.395 4.762) 5.075 32.928 ( 0.094 3.355 2.319) 4.080 32.999 ( 1.218 -2.391 3.075) 4.081 33.125 ( -3.222 0.592 1.064) 3.444 33.154 ( -3.088 -1.736 0.124) 3.544 33.417 ( -2.332 3.139 -3.503) 5.250 33.493 ( 0.982 -3.141 -1.503) 3.617 33.517 ( 1.348 1.402 1.701) 2.584 33.543 ( 2.067 -0.457 -1.049) 2.363 33.725 ( 1.267 3.408 -3.889) 5.325 33.801 ( 1.048 -2.800 -2.220) 3.724 34.251 ( 0.330 6.523 -1.869) 6.794 34.440 ( 0.071 -8.967 -6.920) 11.326 34.713 ( -2.801 3.345 -9.170) 10.155 34.779 ( -4.382 -2.341 -8.860) 10.157 36.271 ( -0.792 1.260 10.396) 10.502 36.302 ( -0.499 -1.073 9.149) 9.225 36.390 ( 0.154 0.885 11.511) 11.546 36.430 ( 1.748 -2.640 12.425) 12.823 37.746 ( 0.074 0.546 -7.279) 7.300 37.765 ( 0.300 -0.826 -7.817) 7.866 37.827 ( -0.498 3.283 -9.316) 9.890 37.902 ( -1.176 -2.937 -12.477) 12.871 ======================= Grid point 39 (26/36) ======================= q-point: (-0.20 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -11.638 5.772 11.229) 17.171 1.283 ( -2.015 5.721 12.414) 13.816 1.463 ( -5.579 -10.505 1.472) 11.986 1.614 ( 0.316 -13.663 2.910) 13.974 1.875 ( -0.845 14.741 -5.599) 15.791 2.037 ( -3.839 0.859 -7.360) 8.346 2.073 ( 1.344 -1.119 -6.455) 6.688 2.152 ( 0.833 -1.626 -7.200) 7.428 2.241 ( -0.375 5.322 -14.492) 15.443 2.343 ( 1.315 -0.743 -7.982) 8.124 2.430 ( -2.163 2.797 -7.136) 7.964 2.466 ( 0.720 0.375 -5.079) 5.144 2.486 ( -2.091 3.249 -2.122) 4.408 2.553 ( 1.330 -0.832 -4.120) 4.408 2.677 ( -0.096 2.066 1.502) 2.556 2.712 ( -0.300 0.739 -0.230) 0.830 2.735 ( -1.704 1.057 0.932) 2.211 2.774 ( -3.504 -4.565 -1.732) 6.010 2.802 ( 0.984 3.207 -4.873) 5.916 2.865 ( -1.363 6.213 1.456) 6.525 2.917 ( 0.664 -1.422 -4.085) 4.376 2.994 ( -3.535 -1.890 -3.477) 5.306 3.041 ( 1.236 -6.210 0.401) 6.344 3.071 ( 1.153 1.994 -1.340) 2.665 3.113 ( 2.244 -1.515 -2.774) 3.876 3.158 ( -1.141 -3.085 0.689) 3.361 3.197 ( 1.444 0.527 -4.968) 5.200 3.228 ( 2.386 -1.038 -3.393) 4.276 3.302 ( -1.296 -1.780 0.028) 2.202 3.309 ( 0.661 0.701 -3.147) 3.292 3.381 ( 1.480 -0.172 -1.785) 2.325 3.428 ( 2.961 -2.629 1.379) 4.193 3.436 ( 1.545 -1.269 -2.036) 2.854 3.463 ( 3.614 -1.126 0.230) 3.792 3.543 ( 4.233 -0.702 0.819) 4.368 3.546 ( -0.304 -2.590 2.059) 3.323 3.605 ( 2.188 -0.019 -2.382) 3.235 3.630 ( 3.745 -0.785 -1.276) 4.033 3.733 ( -1.396 1.735 3.408) 4.071 3.746 ( 2.325 1.420 -2.324) 3.581 3.786 ( 1.231 -0.029 -2.218) 2.537 3.833 ( -0.369 -3.672 0.979) 3.818 3.862 ( -1.453 3.406 2.034) 4.225 3.882 ( -2.702 0.127 -0.964) 2.872 3.935 ( -1.138 0.127 -0.942) 1.483 4.030 ( -0.650 2.170 2.386) 3.290 4.052 ( -3.223 -4.313 2.105) 5.781 4.112 ( 3.833 -2.358 1.327) 4.692 4.154 ( -4.904 2.005 0.624) 5.334 4.177 ( -0.472 -1.594 -0.108) 1.666 4.323 ( -2.872 0.552 2.547) 3.878 4.362 ( 0.315 -0.058 3.054) 3.071 4.380 ( -0.289 1.117 2.920) 3.140 4.432 ( 1.632 -0.017 -2.159) 2.707 4.460 ( 1.917 1.316 4.455) 5.026 4.504 ( 3.430 -0.664 -0.775) 3.579 4.556 ( 0.322 0.419 3.990) 4.025 4.559 ( 3.030 1.291 4.466) 5.550 4.609 ( 2.821 1.179 1.673) 3.485 4.618 ( 6.363 0.278 4.404) 7.743 4.704 ( 4.326 2.813 5.285) 7.387 4.730 ( 0.163 3.420 0.154) 3.428 4.859 ( 0.247 2.330 1.290) 2.674 4.878 ( -1.553 2.982 5.755) 6.665 4.923 ( -1.021 1.161 2.361) 2.822 5.012 ( -0.631 -1.481 -2.048) 2.605 5.038 ( 3.585 -1.712 2.426) 4.655 5.047 ( 4.224 -3.938 8.735) 10.471 5.094 ( -0.205 -0.351 -2.078) 2.118 5.179 ( -1.325 -5.184 -2.323) 5.833 5.285 ( 3.341 2.094 5.900) 7.096 5.314 ( 0.265 -0.652 -4.591) 4.644 5.328 ( 2.680 0.116 -3.944) 4.769 5.371 ( 2.466 -2.437 -1.447) 3.757 5.471 ( -3.646 4.444 0.414) 5.763 5.557 ( -5.803 -2.768 0.776) 6.476 5.774 ( -5.610 6.838 3.581) 9.542 5.926 ( -5.447 -5.707 7.549) 10.920 6.270 ( -3.564 -2.355 0.408) 4.291 6.294 ( -2.936 -3.624 -2.580) 5.330 6.383 ( -2.167 1.929 -10.163) 10.569 6.424 ( -0.651 -1.125 -8.379) 8.479 6.621 ( -0.367 0.880 -7.926) 7.984 6.645 ( -0.803 -0.591 -7.749) 7.813 6.745 ( -1.529 5.516 -6.590) 8.729 6.771 ( 0.685 3.208 -2.707) 4.253 6.844 ( -5.120 0.757 -7.257) 8.914 6.869 ( -5.459 -3.666 -5.302) 8.447 7.008 ( 3.720 0.381 2.249) 4.364 7.046 ( 4.064 -3.073 4.043) 6.504 7.207 ( -0.069 2.552 6.721) 7.189 7.258 ( -0.714 0.557 1.786) 2.002 7.347 ( 2.820 -0.813 6.792) 7.399 7.364 ( 2.535 -0.558 2.987) 3.957 7.468 ( 0.315 1.305 6.638) 6.772 7.504 ( -1.852 -1.180 0.675) 2.297 7.560 ( 1.600 4.088 3.593) 5.673 7.598 ( -2.289 1.346 -0.750) 2.759 7.628 ( -2.402 1.464 -0.850) 2.938 7.675 ( -1.257 -1.932 -0.078) 2.306 7.740 ( -3.566 0.708 0.266) 3.646 7.750 ( -6.890 2.793 -0.283) 7.440 7.778 ( -1.295 3.670 0.012) 3.892 7.820 ( 1.139 -1.482 -0.673) 1.986 7.861 ( -3.429 2.306 -0.600) 4.175 7.894 ( -1.843 2.262 -1.630) 3.342 8.029 ( 0.758 -1.151 -2.147) 2.551 8.064 ( -2.467 -3.024 1.042) 4.040 8.125 ( -2.798 0.843 -1.950) 3.514 8.257 ( -6.026 -8.790 0.080) 10.657 8.325 ( -2.771 0.926 -1.127) 3.131 8.371 ( -1.460 -0.087 3.690) 3.969 8.429 ( 3.007 4.053 -4.351) 6.663 8.598 ( 2.332 -1.357 2.808) 3.894 8.659 ( -3.133 0.406 6.977) 7.659 8.739 ( -2.914 -7.094 -3.113) 8.277 8.856 ( 5.151 6.746 1.644) 8.646 8.992 ( 4.263 6.095 8.198) 11.070 9.007 ( -0.758 5.305 -1.634) 5.602 9.094 ( 0.699 -7.331 -3.875) 8.321 9.136 ( 0.962 0.815 11.087) 11.158 9.182 ( 2.098 -6.427 3.980) 7.845 9.299 ( 2.730 5.729 3.021) 7.029 9.389 ( 6.129 -3.114 -2.020) 7.165 9.469 ( -0.403 0.886 2.861) 3.022 9.641 ( 1.778 -9.420 5.264) 10.936 9.751 ( 2.012 3.658 0.066) 4.175 9.880 ( -1.039 -4.787 4.377) 6.569 9.986 ( 7.905 1.158 -0.820) 8.031 10.009 ( 4.740 -1.409 -3.381) 5.991 10.104 ( 4.341 3.654 -0.814) 5.733 10.123 ( 7.559 1.456 -2.468) 8.084 10.282 ( -1.158 6.356 -2.452) 6.910 10.469 ( -6.179 -6.037 -5.814) 10.413 10.676 ( 5.364 0.934 5.061) 7.434 10.695 ( 3.935 -0.407 4.736) 6.171 10.940 ( -3.275 3.045 -0.926) 4.567 11.059 ( -3.593 -4.661 -5.774) 8.245 11.459 ( -3.514 4.969 -1.730) 6.327 11.575 ( -1.156 -4.663 2.207) 5.287 11.773 ( -2.450 5.831 -5.269) 8.232 11.923 ( -2.260 -6.714 -2.107) 7.391 12.171 ( 5.721 5.215 -6.616) 10.183 12.257 ( 4.517 -1.837 -11.622) 12.603 13.401 ( 0.004 0.430 -3.806) 3.830 13.408 ( -0.081 -0.240 -3.731) 3.740 13.518 ( 1.083 1.016 -4.674) 4.905 13.554 ( 1.381 -1.790 -5.491) 5.938 13.828 ( 2.202 0.802 10.592) 10.848 13.853 ( 4.012 -0.971 10.371) 11.162 14.006 ( -0.546 1.340 11.345) 11.436 14.034 ( 0.067 -0.935 11.197) 11.236 15.227 ( -3.219 1.401 -0.750) 3.589 15.231 ( -4.275 1.614 -3.819) 5.955 15.292 ( -1.323 -0.997 -8.485) 8.646 15.303 ( -2.918 -2.162 -0.587) 3.679 15.406 ( -0.963 3.901 -1.973) 4.477 15.512 ( 0.228 -4.258 -0.616) 4.309 15.783 ( -2.089 5.144 7.503) 9.334 15.913 ( -1.049 -5.082 6.335) 8.189 17.040 ( 3.622 1.487 1.902) 4.353 17.079 ( 3.171 -1.656 3.131) 4.754 17.186 ( 1.217 1.700 1.987) 2.884 17.225 ( 3.422 -1.476 1.841) 4.156 17.394 ( 6.012 0.657 -1.073) 6.142 17.417 ( 5.289 -1.297 -0.644) 5.483 17.539 ( 2.227 0.234 -1.709) 2.817 17.560 ( 1.825 -1.987 -2.708) 3.823 17.648 ( -3.336 0.402 4.436) 5.565 17.664 ( -2.870 -1.136 2.722) 4.115 17.780 ( -4.073 2.496 0.200) 4.781 17.800 ( -3.986 0.773 0.270) 4.070 19.397 ( -0.473 0.056 -0.396) 0.619 19.401 ( -0.369 -0.240 -0.430) 0.616 19.436 ( -0.340 1.761 -1.565) 2.381 19.474 ( -0.482 -1.392 -2.942) 3.290 19.750 ( -1.215 0.667 -8.450) 8.563 19.765 ( -0.476 -0.535 -8.823) 8.852 19.938 ( -2.044 0.916 -5.980) 6.385 19.961 ( -1.894 -0.943 -6.704) 7.030 20.300 ( 0.033 0.408 1.459) 1.516 20.310 ( 0.100 -0.384 1.176) 1.241 20.345 ( 0.271 0.422 0.265) 0.567 20.355 ( 0.264 -0.431 -0.039) 0.507 21.069 ( -0.160 0.515 -4.194) 4.228 21.085 ( -0.278 -0.809 -4.660) 4.738 21.139 ( 0.583 0.614 -6.153) 6.211 21.145 ( 0.367 0.067 -6.157) 6.169 22.015 ( 0.113 0.155 0.629) 0.657 22.019 ( 0.090 -0.167 0.689) 0.714 22.049 ( 0.136 0.331 -0.233) 0.427 22.059 ( 0.456 -0.498 -0.234) 0.715 23.637 ( 0.041 0.301 -0.500) 0.584 23.646 ( -0.071 -0.455 -0.585) 0.744 23.741 ( -0.706 0.677 -0.219) 1.002 23.755 ( -0.480 -0.421 -0.606) 0.880 26.584 ( 4.349 0.851 -0.768) 4.498 26.611 ( 3.185 -1.357 -1.168) 3.654 26.672 ( 0.850 0.419 -0.662) 1.156 26.676 ( 1.334 0.181 -0.788) 1.560 26.745 ( 0.108 0.995 -0.101) 1.005 26.765 ( 0.088 -0.581 -0.353) 0.685 26.895 ( -2.775 0.655 -3.723) 4.689 26.916 ( -3.297 -0.941 -4.145) 5.379 27.224 ( -1.073 0.544 8.406) 8.491 27.244 ( -0.870 -1.181 8.387) 8.514 27.328 ( -0.326 1.303 6.721) 6.854 27.352 ( -0.350 -0.728 6.671) 6.720 30.559 ( 0.210 0.292 0.784) 0.862 30.568 ( 0.453 -0.453 0.845) 1.060 30.596 ( 0.123 0.078 -0.286) 0.322 30.598 ( 0.167 -0.090 -0.217) 0.288 31.801 ( -0.262 0.081 2.230) 2.246 31.807 ( -0.340 -0.385 2.061) 2.124 31.983 ( 1.092 2.545 -4.159) 4.997 32.034 ( 1.872 -1.716 -5.533) 6.088 32.774 ( 0.663 1.754 4.480) 4.856 32.813 ( 2.673 -1.545 3.180) 4.432 32.909 ( -1.906 2.741 1.814) 3.800 32.965 ( -3.942 -1.708 2.431) 4.936 33.084 ( -0.791 0.516 0.411) 1.030 33.122 ( -0.498 -2.699 0.361) 2.769 33.308 ( -5.585 5.949 -0.154) 8.161 33.463 ( -3.895 -7.057 -1.228) 8.154 33.546 ( 1.091 1.129 2.774) 3.187 33.577 ( 1.199 -1.386 1.374) 2.290 33.780 ( 2.989 3.150 -5.005) 6.626 33.848 ( 2.578 -2.541 -4.700) 5.932 34.249 ( -0.426 6.154 -2.207) 6.552 34.401 ( -4.279 -6.494 -7.608) 10.880 34.623 ( -4.290 2.362 -4.150) 6.419 34.670 ( -4.761 -1.680 -4.683) 6.886 36.251 ( -0.913 1.586 9.969) 10.136 36.286 ( -0.785 -1.080 8.592) 8.695 36.393 ( 0.097 1.566 11.501) 11.607 36.472 ( 1.716 -5.405 11.262) 12.609 37.745 ( -0.180 0.901 -7.464) 7.521 37.771 ( 0.341 -0.974 -7.849) 7.916 37.819 ( -0.104 2.625 -8.547) 8.942 37.870 ( -1.538 -1.667 -10.677) 10.916 ======================= Grid point 45 (27/36) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -1.593 0.000 25.813) 25.862 1.407 ( -6.998 0.000 11.951) 13.850 1.572 ( 2.406 0.000 -7.800) 8.163 1.688 ( -6.362 0.000 5.047) 8.121 1.738 ( 0.841 0.000 -2.547) 2.683 1.882 ( 2.938 0.000 -22.714) 22.903 1.971 ( -0.726 0.000 -4.236) 4.298 1.989 ( 2.789 0.000 -3.195) 4.241 2.065 ( 0.356 0.000 3.762) 3.778 2.189 ( 2.783 0.000 5.797) 6.430 2.254 ( 2.436 0.000 -9.926) 10.220 2.291 ( 1.391 0.000 -4.712) 4.914 2.443 ( -1.129 0.000 0.599) 1.278 2.490 ( 0.858 0.000 -1.043) 1.351 2.578 ( -4.068 0.000 -1.031) 4.196 2.653 ( -0.461 0.000 -3.654) 3.683 2.774 ( -0.492 0.000 0.950) 1.069 2.783 ( -0.937 0.000 4.158) 4.263 2.792 ( 2.559 0.000 -2.627) 3.667 2.871 ( -1.928 0.000 2.749) 3.358 2.909 ( -0.426 0.000 -5.315) 5.332 2.924 ( 4.555 0.000 -2.811) 5.352 2.965 ( 0.815 0.000 3.271) 3.371 3.046 ( -3.304 0.000 -3.621) 4.902 3.161 ( -3.588 0.000 6.549) 7.467 3.183 ( -4.937 0.000 1.592) 5.187 3.245 ( 2.528 0.000 -3.507) 4.324 3.250 ( 4.729 0.000 -1.305) 4.906 3.296 ( 2.636 0.000 -1.971) 3.291 3.345 ( 1.070 0.000 0.475) 1.171 3.369 ( -0.840 0.000 -4.697) 4.771 3.382 ( -4.198 0.000 -3.854) 5.699 3.498 ( -4.820 0.000 3.220) 5.796 3.545 ( 0.894 0.000 -2.403) 2.564 3.547 ( 1.652 0.000 -3.227) 3.625 3.556 ( 5.595 0.000 -3.102) 6.398 3.673 ( -0.526 0.000 0.670) 0.851 3.680 ( -0.489 0.000 0.092) 0.498 3.740 ( 1.397 0.000 5.274) 5.456 3.771 ( 2.282 0.000 -0.487) 2.333 3.794 ( -0.902 0.000 -3.016) 3.148 3.806 ( -3.787 0.000 -0.584) 3.832 3.836 ( -6.220 0.000 1.104) 6.317 3.849 ( 0.432 0.000 0.647) 0.777 3.895 ( 1.932 0.000 0.230) 1.945 3.912 ( 3.952 0.000 -3.580) 5.332 4.011 ( 2.677 0.000 0.036) 2.678 4.024 ( -3.897 0.000 -1.550) 4.194 4.228 ( -0.673 0.000 4.274) 4.327 4.297 ( -1.459 0.000 -2.216) 2.653 4.341 ( 2.012 0.000 0.297) 2.034 4.364 ( 0.598 0.000 -2.185) 2.265 4.405 ( -2.058 0.000 4.974) 5.383 4.421 ( -2.913 0.000 2.492) 3.833 4.475 ( -2.544 0.000 5.651) 6.197 4.566 ( 1.917 0.000 -4.308) 4.715 4.616 ( 2.621 0.000 8.944) 9.320 4.645 ( 0.767 0.000 1.464) 1.653 4.659 ( 3.546 0.000 0.220) 3.553 4.716 ( -0.451 0.000 0.910) 1.016 4.787 ( 2.105 0.000 0.123) 2.109 4.809 ( -0.790 0.000 -4.094) 4.170 4.843 ( 0.744 0.000 4.040) 4.108 4.866 ( -1.024 0.000 3.071) 3.237 4.975 ( -1.721 0.000 -0.302) 1.747 4.989 ( -2.619 0.000 3.064) 4.031 5.042 ( -6.041 0.000 -2.216) 6.435 5.060 ( 2.396 0.000 -1.538) 2.847 5.111 ( -2.369 0.000 0.356) 2.396 5.144 ( 0.348 0.000 -2.769) 2.790 5.248 ( -1.123 0.000 -2.943) 3.150 5.277 ( 1.801 0.000 -5.092) 5.401 5.421 ( 6.137 0.000 4.913) 7.862 5.490 ( -5.421 0.000 -1.430) 5.607 5.600 ( 2.889 0.000 4.011) 4.943 5.604 ( 4.732 0.000 6.389) 7.951 5.826 ( 4.099 0.000 16.659) 17.156 6.114 ( -3.466 0.000 -11.678) 12.182 6.147 ( 1.277 0.000 6.534) 6.657 6.229 ( 2.303 0.000 -2.916) 3.716 6.235 ( -6.359 0.000 2.241) 6.742 6.315 ( -5.408 0.000 -1.500) 5.612 6.323 ( -4.190 0.000 -6.162) 7.451 6.402 ( 4.112 0.000 -8.346) 9.304 6.537 ( 0.328 0.000 -1.202) 1.246 6.626 ( 2.159 0.000 -10.308) 10.532 6.877 ( 0.715 0.000 3.661) 3.730 6.932 ( -0.868 0.000 -1.940) 2.126 7.042 ( 3.008 0.000 0.833) 3.121 7.079 ( -1.395 0.000 -2.692) 3.032 7.231 ( 0.805 0.000 0.809) 1.142 7.241 ( -1.370 0.000 -1.670) 2.160 7.380 ( -0.232 0.000 2.731) 2.741 7.417 ( 0.729 0.000 1.582) 1.742 7.477 ( 3.872 0.000 1.245) 4.067 7.505 ( 4.137 0.000 -3.740) 5.577 7.544 ( -3.903 0.000 4.917) 6.278 7.566 ( -0.743 0.000 -0.401) 0.844 7.578 ( 3.127 0.000 -0.227) 3.136 7.621 ( -1.268 0.000 2.721) 3.002 7.631 ( -1.009 0.000 -2.196) 2.417 7.698 ( -1.129 0.000 -3.627) 3.799 7.783 ( 2.004 0.000 2.031) 2.854 7.810 ( 5.069 0.000 -2.250) 5.546 7.859 ( -3.786 0.000 2.136) 4.347 7.935 ( -0.952 0.000 -4.490) 4.589 7.991 ( 4.649 0.000 4.116) 6.209 8.063 ( -4.201 0.000 -3.494) 5.464 8.163 ( 0.376 0.000 8.901) 8.909 8.274 ( -2.726 0.000 2.220) 3.516 8.286 ( -1.798 0.000 -3.663) 4.080 8.338 ( 4.051 0.000 -4.092) 5.758 8.485 ( 0.473 0.000 7.162) 7.178 8.581 ( -3.532 0.000 -1.378) 3.791 8.730 ( 1.453 0.000 -0.075) 1.454 8.751 ( 0.516 0.000 -1.187) 1.295 8.812 ( -0.708 0.000 -2.163) 2.276 8.889 ( 0.391 0.000 -6.648) 6.660 9.043 ( -4.022 0.000 3.500) 5.332 9.047 ( 4.634 0.000 2.595) 5.311 9.157 ( -0.743 0.000 3.860) 3.931 9.251 ( -1.779 0.000 -4.338) 4.689 9.453 ( 0.230 0.000 2.250) 2.261 9.507 ( 1.150 0.000 -2.762) 2.992 9.678 ( -1.777 0.000 4.987) 5.294 9.720 ( -8.853 0.000 0.008) 8.853 9.791 ( -1.910 0.000 8.948) 9.149 9.838 ( 2.181 0.000 0.889) 2.355 9.959 ( 0.821 0.000 -0.167) 0.837 10.054 ( 2.986 0.000 -3.642) 4.710 10.197 ( -2.736 0.000 0.695) 2.823 10.212 ( 3.101 0.000 2.490) 3.977 10.266 ( 0.973 0.000 0.403) 1.053 10.339 ( 6.174 0.000 -5.425) 8.219 10.796 ( -6.414 0.000 6.195) 8.917 10.901 ( 5.251 0.000 -1.326) 5.415 11.053 ( 7.281 0.000 -0.935) 7.341 11.082 ( -1.897 0.000 1.857) 2.655 11.301 ( 3.155 0.000 5.332) 6.195 11.436 ( -4.549 0.000 -6.497) 7.931 11.669 ( 3.486 0.000 0.916) 3.604 11.811 ( -6.840 0.000 -13.818) 15.418 12.064 ( -4.788 0.000 4.604) 6.642 12.156 ( 2.789 0.000 -5.423) 6.098 13.347 ( 0.489 0.000 -1.658) 1.729 13.347 ( -0.565 0.000 -1.819) 1.905 13.483 ( 1.447 0.000 -1.803) 2.312 13.503 ( 0.108 0.000 -3.795) 3.796 14.018 ( 1.764 0.000 5.508) 5.783 14.038 ( -2.408 0.000 3.268) 4.059 14.214 ( 0.760 0.000 9.609) 9.639 14.252 ( 0.891 0.000 6.057) 6.123 15.052 ( -4.001 0.000 -2.007) 4.476 15.110 ( 3.171 0.000 -8.050) 8.652 15.201 ( -2.890 0.000 -1.188) 3.124 15.220 ( 2.323 0.000 -3.898) 4.538 15.432 ( 2.962 0.000 5.159) 5.949 15.498 ( -2.256 0.000 -2.137) 3.107 15.879 ( 0.973 0.000 9.711) 9.760 15.999 ( -1.089 0.000 -2.230) 2.482 17.146 ( 1.959 0.000 2.965) 3.554 17.168 ( -2.734 0.000 0.615) 2.802 17.223 ( -1.761 0.000 5.784) 6.046 17.304 ( -0.024 0.000 -1.681) 1.682 17.517 ( -4.535 0.000 -1.022) 4.649 17.530 ( 6.267 0.000 -1.278) 6.396 17.563 ( 3.085 0.000 -1.887) 3.616 17.573 ( 0.175 0.000 -2.038) 2.045 17.618 ( -0.219 0.000 1.264) 1.282 17.634 ( -0.204 0.000 0.190) 0.279 17.667 ( -4.974 0.000 0.878) 5.051 17.673 ( 2.607 0.000 0.412) 2.639 19.382 ( -0.335 0.000 -0.447) 0.559 19.386 ( 0.276 0.000 -0.687) 0.740 19.394 ( 0.019 0.000 -0.113) 0.115 19.408 ( -0.391 0.000 -2.171) 2.206 19.643 ( -0.305 0.000 -1.690) 1.717 19.671 ( 1.890 0.000 -4.635) 5.006 19.810 ( 0.133 0.000 -2.669) 2.672 19.820 ( -1.040 0.000 -3.846) 3.984 20.327 ( 0.077 0.000 1.461) 1.463 20.335 ( 0.019 0.000 0.899) 0.899 20.346 ( 0.132 0.000 -0.392) 0.414 20.351 ( -0.199 0.000 -0.846) 0.869 21.021 ( -0.138 0.000 -0.326) 0.354 21.033 ( 0.187 0.000 -1.099) 1.115 21.049 ( -0.508 0.000 -3.125) 3.166 21.052 ( 0.386 0.000 -3.156) 3.180 22.027 ( 0.014 0.000 0.647) 0.647 22.039 ( -0.011 0.000 -0.519) 0.519 22.040 ( 0.035 0.000 1.018) 1.019 22.060 ( -0.032 0.000 -1.011) 1.012 23.631 ( 0.026 0.000 0.143) 0.145 23.640 ( 0.138 0.000 -0.681) 0.695 23.727 ( -0.191 0.000 0.678) 0.704 23.741 ( 0.052 0.000 -0.735) 0.737 26.658 ( -0.970 0.000 0.519) 1.100 26.663 ( 1.275 0.000 -0.061) 1.277 26.694 ( 2.529 0.000 2.401) 3.487 26.718 ( -1.256 0.000 0.073) 1.259 26.723 ( 0.907 0.000 0.144) 0.919 26.746 ( -2.405 0.000 0.196) 2.413 26.760 ( -2.169 0.000 -4.070) 4.612 26.781 ( 1.673 0.000 -3.148) 3.565 27.341 ( -0.025 0.000 4.905) 4.905 27.379 ( 0.242 0.000 1.040) 1.068 27.398 ( 0.442 0.000 4.684) 4.705 27.429 ( -0.433 0.000 1.457) 1.519 30.574 ( 0.121 0.000 0.753) 0.763 30.587 ( -0.097 0.000 -0.579) 0.587 30.594 ( 0.060 0.000 0.259) 0.266 30.598 ( -0.005 0.000 -0.192) 0.192 31.852 ( -0.134 0.000 2.646) 2.649 31.863 ( 0.059 0.000 4.241) 4.241 31.902 ( 0.171 0.000 -2.618) 2.623 31.959 ( -0.175 0.000 -5.777) 5.780 32.811 ( 0.167 0.000 2.466) 2.471 32.845 ( 0.533 0.000 -1.268) 1.376 32.913 ( -3.707 0.000 0.936) 3.823 32.936 ( 5.024 0.000 -1.369) 5.207 33.095 ( -3.084 0.000 1.061) 3.261 33.103 ( 2.369 0.000 0.228) 2.380 33.328 ( 2.516 0.000 5.027) 5.621 33.428 ( -4.330 0.000 -5.319) 6.859 33.589 ( -1.511 0.000 4.095) 4.365 33.678 ( 0.187 0.000 5.244) 5.247 33.678 ( 1.382 0.000 -5.265) 5.444 33.787 ( 0.113 0.000 -6.216) 6.217 34.183 ( 0.103 0.000 2.378) 2.380 34.246 ( -0.478 0.000 -4.244) 4.271 34.571 ( -0.401 0.000 0.980) 1.059 34.602 ( 1.076 0.000 -2.254) 2.497 36.386 ( 0.165 0.000 5.922) 5.925 36.409 ( -0.065 0.000 3.495) 3.496 36.566 ( 0.415 0.000 7.789) 7.800 36.644 ( -0.983 0.000 -0.319) 1.034 37.659 ( 0.352 0.000 -3.120) 3.140 37.661 ( -0.116 0.000 -1.883) 1.886 37.670 ( -0.204 0.000 -4.339) 4.344 37.702 ( 0.409 0.000 -6.199) 6.212 ======================= Grid point 46 (28/36) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.564 0.000 20.605) 21.105 1.419 ( 2.011 0.000 13.409) 13.559 1.556 ( -4.903 0.000 -3.478) 6.011 1.604 ( 0.455 0.000 -3.435) 3.465 1.710 ( -1.682 0.000 1.863) 2.510 1.944 ( -0.774 0.000 -4.101) 4.173 1.967 ( -4.796 0.000 -5.508) 7.304 2.003 ( 6.722 0.000 -20.359) 21.440 2.127 ( 7.176 0.000 4.328) 8.380 2.292 ( 0.278 0.000 -10.351) 10.355 2.376 ( 9.060 0.000 -2.324) 9.353 2.424 ( -1.938 0.000 0.236) 1.952 2.447 ( 3.084 0.000 -5.151) 6.004 2.449 ( 0.928 0.000 0.325) 0.983 2.531 ( 1.968 0.000 3.780) 4.262 2.628 ( -0.942 0.000 1.359) 1.653 2.741 ( -2.969 0.000 3.753) 4.786 2.791 ( 2.649 0.000 -0.814) 2.771 2.806 ( -0.984 0.000 -1.276) 1.611 2.828 ( -1.284 0.000 -2.270) 2.608 2.877 ( -1.327 0.000 -0.568) 1.443 2.999 ( -2.148 0.000 -2.024) 2.952 3.008 ( 2.282 0.000 4.866) 5.375 3.028 ( 1.909 0.000 -2.484) 3.133 3.067 ( -4.075 0.000 7.210) 8.282 3.075 ( -0.139 0.000 -1.063) 1.072 3.243 ( -1.757 0.000 -3.039) 3.510 3.246 ( -7.107 0.000 -0.864) 7.160 3.253 ( -8.336 0.000 -3.368) 8.990 3.284 ( -2.104 0.000 2.475) 3.248 3.324 ( 0.928 0.000 -2.312) 2.492 3.352 ( -0.641 0.000 -6.713) 6.744 3.449 ( -2.466 0.000 4.119) 4.801 3.460 ( -5.019 0.000 -2.941) 5.817 3.523 ( -9.041 0.000 -0.153) 9.042 3.618 ( -3.443 0.000 -2.205) 4.088 3.644 ( -1.932 0.000 -4.124) 4.554 3.651 ( -2.162 0.000 -3.666) 4.256 3.673 ( 0.335 0.000 1.454) 1.492 3.729 ( 0.581 0.000 5.125) 5.158 3.782 ( 2.803 0.000 1.554) 3.205 3.809 ( 4.018 0.000 -6.282) 7.457 3.871 ( 2.710 0.000 0.155) 2.714 3.872 ( -0.382 0.000 -0.599) 0.711 3.954 ( -1.804 0.000 -0.162) 1.811 4.016 ( 5.920 0.000 1.217) 6.044 4.033 ( 4.060 0.000 -2.716) 4.885 4.092 ( 5.171 0.000 3.246) 6.106 4.146 ( -3.905 0.000 4.884) 6.253 4.187 ( -5.594 0.000 -0.889) 5.665 4.351 ( -2.479 0.000 -2.844) 3.773 4.357 ( -2.548 0.000 -1.751) 3.092 4.370 ( -1.777 0.000 2.928) 3.425 4.384 ( -3.131 0.000 2.122) 3.782 4.437 ( 1.153 0.000 4.816) 4.952 4.584 ( -0.999 0.000 -1.330) 1.663 4.605 ( -6.924 0.000 1.686) 7.126 4.643 ( -1.388 0.000 3.848) 4.091 4.683 ( -0.024 0.000 0.139) 0.141 4.683 ( -0.727 0.000 1.163) 1.371 4.774 ( -1.235 0.000 -5.968) 6.094 4.809 ( -0.366 0.000 7.322) 7.331 4.870 ( 4.821 0.000 -1.566) 5.069 4.873 ( 1.878 0.000 3.527) 3.996 4.933 ( -2.797 0.000 4.300) 5.130 4.982 ( 1.387 0.000 2.908) 3.222 4.993 ( 2.642 0.000 5.219) 5.850 5.063 ( -1.252 0.000 5.243) 5.391 5.098 ( 1.598 0.000 -3.275) 3.644 5.164 ( 1.270 0.000 -2.165) 2.510 5.197 ( -3.163 0.000 -4.121) 5.195 5.265 ( -2.340 0.000 -4.543) 5.110 5.427 ( -1.835 0.000 -4.116) 4.506 5.466 ( -0.772 0.000 4.646) 4.709 5.677 ( 3.700 0.000 -0.982) 3.828 5.682 ( -0.275 0.000 11.647) 11.650 5.989 ( 6.935 0.000 2.731) 7.453 6.058 ( -1.276 0.000 -13.034) 13.096 6.128 ( 3.736 0.000 6.238) 7.271 6.165 ( -5.774 0.000 1.047) 5.868 6.245 ( 0.589 0.000 -7.724) 7.747 6.362 ( 11.128 0.000 8.712) 14.133 6.373 ( 4.399 0.000 2.070) 4.861 6.479 ( 3.433 0.000 -3.494) 4.898 6.550 ( 1.135 0.000 -2.350) 2.609 6.684 ( 4.336 0.000 -9.354) 10.310 6.832 ( -3.396 0.000 4.679) 5.781 6.875 ( -3.871 0.000 -2.812) 4.785 7.106 ( 2.247 0.000 3.370) 4.051 7.116 ( 3.559 0.000 -10.002) 10.616 7.213 ( -3.731 0.000 -4.088) 5.534 7.299 ( 6.308 0.000 1.444) 6.471 7.423 ( 3.533 0.000 2.322) 4.228 7.462 ( -4.553 0.000 2.751) 5.320 7.467 ( 3.177 0.000 1.799) 3.651 7.539 ( -0.645 0.000 -0.744) 0.985 7.593 ( 5.794 0.000 -1.839) 6.079 7.599 ( 0.413 0.000 2.771) 2.802 7.606 ( 0.228 0.000 -2.347) 2.358 7.629 ( 0.481 0.000 -1.346) 1.430 7.674 ( 3.158 0.000 1.103) 3.345 7.734 ( 10.460 0.000 -5.750) 11.937 7.762 ( -2.208 0.000 0.548) 2.275 7.867 ( 4.816 0.000 4.432) 6.545 7.917 ( 3.892 0.000 -8.738) 9.566 7.937 ( -0.065 0.000 -2.420) 2.421 8.016 ( 0.506 0.000 -2.967) 3.010 8.075 ( 2.435 0.000 3.691) 4.421 8.099 ( -3.019 0.000 7.004) 7.627 8.284 ( 1.341 0.000 -1.705) 2.169 8.347 ( 4.152 0.000 1.564) 4.437 8.405 ( -0.075 0.000 -4.068) 4.069 8.454 ( -5.128 0.000 -1.942) 5.484 8.463 ( -0.164 0.000 9.408) 9.410 8.716 ( -2.254 0.000 -1.064) 2.492 8.730 ( -1.669 0.000 -2.315) 2.854 8.850 ( 1.617 0.000 2.635) 3.092 8.944 ( -2.641 0.000 3.090) 4.065 8.951 ( 5.069 0.000 0.315) 5.079 9.100 ( -2.132 0.000 -2.061) 2.966 9.129 ( -2.302 0.000 4.388) 4.955 9.201 ( -3.061 0.000 -2.736) 4.106 9.401 ( -1.872 0.000 4.097) 4.504 9.525 ( 1.380 0.000 -5.844) 6.005 9.598 ( -1.710 0.000 3.705) 4.080 9.615 ( -3.741 0.000 12.540) 13.086 9.742 ( -2.591 0.000 5.658) 6.224 9.914 ( 2.985 0.000 5.941) 6.649 9.954 ( -0.256 0.000 7.389) 7.394 10.019 ( -3.457 0.000 -9.692) 10.290 10.139 ( -3.355 0.000 -1.808) 3.812 10.204 ( -2.751 0.000 0.086) 2.752 10.268 ( -4.426 0.000 -6.321) 7.716 10.443 ( 3.081 0.000 -6.527) 7.218 10.600 ( -8.476 0.000 7.610) 11.391 10.887 ( -8.250 0.000 -11.731) 14.341 11.057 ( -1.150 0.000 -3.196) 3.397 11.221 ( 6.784 0.000 -1.699) 6.993 11.406 ( 2.216 0.000 -3.555) 4.189 11.418 ( 7.015 0.000 5.733) 9.060 11.705 ( -1.606 0.000 -8.848) 8.993 11.763 ( 4.406 0.000 4.535) 6.323 11.934 ( -6.012 0.000 4.625) 7.585 12.136 ( -3.951 0.000 -3.480) 5.265 13.333 ( -0.583 0.000 -1.778) 1.871 13.354 ( 0.227 0.000 -1.624) 1.640 13.491 ( -1.200 0.000 -4.491) 4.648 13.492 ( -0.778 0.000 -2.830) 2.935 13.967 ( -3.597 0.000 4.800) 5.998 14.032 ( -0.782 0.000 5.122) 5.182 14.219 ( -0.369 0.000 7.392) 7.401 14.244 ( -1.415 0.000 4.965) 5.163 15.010 ( 0.517 0.000 -2.041) 2.106 15.135 ( 0.108 0.000 -4.902) 4.903 15.218 ( 3.706 0.000 -3.430) 5.049 15.263 ( 1.534 0.000 -2.884) 3.266 15.482 ( 0.452 0.000 -2.597) 2.636 15.518 ( 4.089 0.000 5.030) 6.482 15.954 ( 5.073 0.000 9.711) 10.957 16.011 ( 1.957 0.000 -0.972) 2.185 17.082 ( -4.830 0.000 -0.868) 4.908 17.102 ( -5.588 0.000 4.652) 7.271 17.125 ( -6.074 0.000 4.522) 7.573 17.238 ( -5.382 0.000 -1.404) 5.562 17.438 ( -1.745 0.000 -4.382) 4.716 17.460 ( -5.250 0.000 1.504) 5.461 17.516 ( -4.595 0.000 0.133) 4.597 17.524 ( -2.050 0.000 -4.062) 4.550 17.712 ( 4.643 0.000 1.256) 4.810 17.731 ( 6.084 0.000 0.183) 6.086 17.748 ( 6.291 0.000 0.346) 6.301 17.773 ( 4.965 0.000 2.454) 5.538 19.384 ( 0.368 0.000 -0.187) 0.412 19.400 ( 0.591 0.000 0.238) 0.637 19.400 ( 0.438 0.000 -0.562) 0.713 19.413 ( 1.216 0.000 -2.012) 2.351 19.635 ( -0.268 0.000 -3.469) 3.479 19.691 ( -0.278 0.000 -6.178) 6.184 19.834 ( 2.252 0.000 -2.879) 3.656 19.839 ( 2.176 0.000 -2.242) 3.124 20.327 ( 0.017 0.000 1.265) 1.265 20.333 ( -0.249 0.000 0.970) 1.001 20.344 ( -0.405 0.000 -0.587) 0.713 20.347 ( -0.020 0.000 -0.562) 0.562 21.013 ( -0.399 0.000 -0.412) 0.573 21.036 ( -0.649 0.000 -2.998) 3.068 21.041 ( 0.406 0.000 -1.374) 1.432 21.057 ( 0.067 0.000 -2.929) 2.929 22.026 ( -0.096 0.000 0.653) 0.660 22.037 ( -0.080 0.000 -0.533) 0.539 22.038 ( -0.184 0.000 0.907) 0.925 22.054 ( -0.427 0.000 -0.811) 0.916 23.634 ( 0.212 0.000 0.087) 0.229 23.645 ( 0.314 0.000 -0.765) 0.827 23.731 ( 0.533 0.000 0.652) 0.842 23.747 ( 0.444 0.000 -0.583) 0.733 26.593 ( -4.878 0.000 0.081) 4.879 26.595 ( -3.386 0.000 -1.555) 3.726 26.645 ( -3.694 0.000 0.091) 3.696 26.688 ( -2.487 0.000 -1.440) 2.874 26.750 ( 1.839 0.000 2.786) 3.338 26.770 ( 2.440 0.000 3.066) 3.918 26.803 ( 2.987 0.000 -3.022) 4.248 26.844 ( 2.916 0.000 -3.347) 4.439 27.350 ( 0.747 0.000 4.523) 4.584 27.391 ( 0.678 0.000 0.867) 1.101 27.410 ( 0.564 0.000 4.585) 4.620 27.427 ( 0.241 0.000 1.574) 1.592 30.574 ( -0.096 0.000 0.736) 0.742 30.584 ( -0.181 0.000 -0.630) 0.656 30.588 ( -0.507 0.000 0.398) 0.645 30.595 ( -0.272 0.000 -0.322) 0.422 31.850 ( -0.104 0.000 2.566) 2.568 31.864 ( 0.080 0.000 3.961) 3.961 31.906 ( 0.194 0.000 -2.632) 2.639 31.944 ( -1.026 0.000 -5.080) 5.182 32.833 ( 1.108 0.000 2.498) 2.733 32.866 ( -0.447 0.000 -0.503) 0.672 32.892 ( 3.086 0.000 -1.000) 3.244 33.055 ( 4.788 0.000 -1.165) 4.928 33.092 ( 2.864 0.000 0.578) 2.922 33.180 ( 4.371 0.000 1.370) 4.581 33.306 ( -5.029 0.000 -5.243) 7.264 33.329 ( -2.005 0.000 5.816) 6.152 33.544 ( -2.437 0.000 3.891) 4.591 33.678 ( -0.416 0.000 5.627) 5.643 33.681 ( -1.201 0.000 -4.821) 4.969 33.787 ( -0.360 0.000 -5.796) 5.807 34.196 ( 0.974 0.000 3.315) 3.455 34.279 ( 2.990 0.000 -6.666) 7.306 34.576 ( 0.878 0.000 0.821) 1.202 34.649 ( 2.816 0.000 -4.524) 5.329 36.404 ( 1.379 0.000 5.900) 6.059 36.422 ( 1.077 0.000 3.521) 3.682 36.575 ( 0.253 0.000 8.042) 8.046 36.616 ( -1.334 0.000 1.484) 1.995 37.654 ( -0.550 0.000 -3.534) 3.576 37.658 ( -0.303 0.000 -3.514) 3.527 37.662 ( -0.297 0.000 -2.924) 2.939 37.717 ( 0.659 0.000 -7.491) 7.520 ======================= Grid point 47 (29/36) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 6.497 0.000 10.929) 12.715 1.438 ( 0.146 0.000 -5.706) 5.708 1.501 ( 0.260 0.000 -3.910) 3.919 1.604 ( -1.106 0.000 -0.937) 1.449 1.725 ( 2.325 0.000 -0.160) 2.331 1.868 ( -4.027 0.000 -7.765) 8.747 1.958 ( 2.682 0.000 3.961) 4.784 2.131 ( 2.756 0.000 -7.746) 8.222 2.214 ( 0.716 0.000 -3.958) 4.022 2.244 ( -2.776 0.000 -4.729) 5.484 2.282 ( -7.188 0.000 3.599) 8.038 2.396 ( -3.798 0.000 -7.678) 8.566 2.493 ( -0.617 0.000 -1.232) 1.378 2.501 ( 2.027 0.000 -6.987) 7.275 2.663 ( 6.348 0.000 -0.163) 6.350 2.677 ( 5.042 0.000 3.256) 6.002 2.702 ( 1.937 0.000 6.269) 6.562 2.760 ( -3.201 0.000 5.213) 6.117 2.830 ( 0.420 0.000 -3.488) 3.513 2.884 ( 3.930 0.000 -4.967) 6.334 2.889 ( 4.193 0.000 -1.412) 4.425 2.922 ( -1.303 0.000 3.418) 3.658 3.004 ( -4.684 0.000 -4.073) 6.207 3.007 ( -1.535 0.000 2.782) 3.177 3.072 ( 0.831 0.000 -3.567) 3.663 3.085 ( -5.184 0.000 -3.967) 6.528 3.153 ( 3.024 0.000 1.443) 3.351 3.162 ( -2.214 0.000 -0.354) 2.242 3.233 ( -3.145 0.000 1.668) 3.560 3.244 ( 6.530 0.000 0.537) 6.552 3.264 ( -6.141 0.000 0.884) 6.204 3.343 ( -0.948 0.000 -9.401) 9.449 3.368 ( -0.783 0.000 0.674) 1.034 3.384 ( -2.249 0.000 5.817) 6.236 3.388 ( -1.524 0.000 -2.624) 3.034 3.507 ( -3.257 0.000 -3.952) 5.121 3.582 ( -5.665 0.000 0.402) 5.679 3.680 ( -3.804 0.000 -7.388) 8.310 3.713 ( 2.692 0.000 3.750) 4.616 3.746 ( 1.556 0.000 -4.562) 4.820 3.765 ( -0.106 0.000 1.388) 1.392 3.816 ( 0.331 0.000 -1.260) 1.303 3.880 ( -1.635 0.000 -0.242) 1.653 3.889 ( 0.987 0.000 -0.340) 1.044 3.987 ( 5.738 0.000 -1.935) 6.056 4.064 ( -3.502 0.000 2.201) 4.136 4.110 ( -4.251 0.000 5.769) 7.166 4.118 ( 1.490 0.000 -2.999) 3.349 4.158 ( 4.855 0.000 -1.778) 5.171 4.190 ( -1.730 0.000 0.627) 1.840 4.191 ( 1.860 0.000 1.939) 2.687 4.287 ( -3.153 0.000 -2.180) 3.833 4.354 ( 1.046 0.000 -1.193) 1.587 4.363 ( -4.835 0.000 2.893) 5.634 4.461 ( 0.886 0.000 0.267) 0.926 4.495 ( 3.077 0.000 2.488) 3.956 4.519 ( -5.096 0.000 1.441) 5.296 4.610 ( -3.042 0.000 -0.065) 3.042 4.655 ( -0.738 0.000 2.463) 2.572 4.678 ( -1.318 0.000 2.818) 3.111 4.818 ( 0.167 0.000 7.076) 7.078 4.832 ( 6.356 0.000 -6.763) 9.281 4.877 ( -1.714 0.000 2.688) 3.188 4.914 ( 1.686 0.000 3.270) 3.679 4.945 ( -0.654 0.000 6.348) 6.382 5.034 ( 0.125 0.000 3.208) 3.210 5.039 ( 3.944 0.000 5.835) 7.043 5.070 ( 1.974 0.000 2.041) 2.839 5.101 ( -2.756 0.000 0.885) 2.895 5.140 ( -0.520 0.000 -9.331) 9.346 5.213 ( -1.723 0.000 -2.754) 3.249 5.218 ( 3.560 0.000 0.161) 3.564 5.369 ( -3.072 0.000 -0.650) 3.140 5.439 ( -1.417 0.000 3.320) 3.610 5.635 ( -3.553 0.000 11.590) 12.122 5.745 ( 2.515 0.000 -2.261) 3.382 5.990 ( -5.979 0.000 0.514) 6.002 6.058 ( 1.635 0.000 0.994) 1.913 6.076 ( 2.800 0.000 -14.264) 14.536 6.219 ( -2.599 0.000 -11.574) 11.862 6.368 ( 10.742 0.000 8.270) 13.557 6.458 ( 3.342 0.000 2.404) 4.117 6.498 ( -0.009 0.000 1.818) 1.818 6.574 ( 4.434 0.000 -3.627) 5.729 6.628 ( 5.102 0.000 9.821) 11.068 6.771 ( -2.310 0.000 3.692) 4.355 6.773 ( 2.367 0.000 -4.565) 5.142 6.812 ( -0.184 0.000 -6.501) 6.503 7.089 ( -3.969 0.000 2.418) 4.647 7.150 ( -1.355 0.000 -6.651) 6.787 7.161 ( 2.397 0.000 -4.208) 4.842 7.311 ( -8.544 0.000 -1.129) 8.618 7.435 ( 2.652 0.000 2.149) 3.414 7.490 ( -1.123 0.000 4.574) 4.710 7.513 ( 5.760 0.000 -0.991) 5.845 7.526 ( -1.269 0.000 -1.068) 1.659 7.596 ( 0.472 0.000 0.497) 0.685 7.601 ( 0.356 0.000 1.046) 1.105 7.652 ( -2.319 0.000 4.915) 5.434 7.672 ( 1.110 0.000 -0.003) 1.110 7.740 ( 5.879 0.000 -0.573) 5.907 7.805 ( 5.044 0.000 0.901) 5.123 7.892 ( -2.166 0.000 -5.097) 5.538 7.939 ( 5.331 0.000 -1.863) 5.647 7.970 ( 1.404 0.000 2.328) 2.718 7.972 ( -3.225 0.000 -5.105) 6.038 8.039 ( 4.096 0.000 -4.229) 5.888 8.050 ( -2.740 0.000 4.461) 5.235 8.120 ( 2.691 0.000 4.223) 5.007 8.294 ( 1.142 0.000 -6.857) 6.951 8.327 ( -1.033 0.000 2.804) 2.988 8.343 ( -1.775 0.000 -3.614) 4.027 8.511 ( 6.397 0.000 -4.389) 7.758 8.513 ( -2.629 0.000 4.605) 5.303 8.674 ( -2.320 0.000 5.297) 5.782 8.710 ( 4.818 0.000 -1.270) 4.982 8.829 ( -1.990 0.000 1.525) 2.507 8.941 ( -6.143 0.000 -4.151) 7.415 9.011 ( 4.667 0.000 4.369) 6.393 9.065 ( -1.854 0.000 -1.361) 2.300 9.115 ( 3.921 0.000 0.208) 3.926 9.131 ( -1.090 0.000 7.734) 7.810 9.390 ( 0.501 0.000 12.035) 12.045 9.537 ( -0.057 0.000 -1.847) 1.848 9.589 ( 0.778 0.000 6.099) 6.149 9.629 ( 1.342 0.000 -2.202) 2.578 9.693 ( -1.933 0.000 7.891) 8.124 9.881 ( -1.365 0.000 -3.266) 3.540 9.950 ( -9.260 0.000 8.715) 12.717 10.019 ( -4.119 0.000 -9.255) 10.130 10.035 ( 1.716 0.000 4.316) 4.645 10.086 ( 3.600 0.000 1.959) 4.099 10.225 ( 0.201 0.000 -2.417) 2.425 10.480 ( 0.602 0.000 -8.669) 8.690 10.498 ( -2.525 0.000 4.209) 4.908 10.609 ( -14.651 0.000 -12.504) 19.261 11.053 ( 1.219 0.000 -0.519) 1.325 11.244 ( -6.058 0.000 -7.309) 9.493 11.487 ( 6.334 0.000 -4.140) 7.567 11.520 ( 0.944 0.000 3.211) 3.347 11.784 ( 7.268 0.000 -1.843) 7.498 11.814 ( -0.128 0.000 5.830) 5.831 11.884 ( 2.281 0.000 0.052) 2.281 12.026 ( -5.884 0.000 -3.226) 6.711 13.333 ( 0.637 0.000 -1.625) 1.745 13.354 ( -0.434 0.000 -1.781) 1.833 13.464 ( -1.434 0.000 -2.339) 2.744 13.466 ( -0.759 0.000 -3.698) 3.775 13.914 ( -0.939 0.000 6.359) 6.428 13.988 ( -2.787 0.000 3.056) 4.136 14.206 ( -0.626 0.000 5.753) 5.787 14.214 ( -1.044 0.000 5.159) 5.264 15.062 ( 3.557 0.000 -1.846) 4.008 15.155 ( 0.740 0.000 -6.713) 6.753 15.277 ( -0.369 0.000 -1.321) 1.372 15.287 ( 2.505 0.000 -3.883) 4.620 15.506 ( 1.797 0.000 0.569) 1.885 15.556 ( -0.966 0.000 2.867) 3.026 16.034 ( 1.626 0.000 8.891) 9.038 16.063 ( 2.527 0.000 2.317) 3.428 16.987 ( -4.105 0.000 3.056) 5.118 17.008 ( -1.197 0.000 -2.585) 2.848 17.033 ( -1.583 0.000 3.109) 3.489 17.129 ( -3.935 0.000 -2.937) 4.910 17.376 ( -2.863 0.000 3.328) 4.390 17.431 ( 0.588 0.000 -5.084) 5.118 17.438 ( -2.540 0.000 2.382) 3.482 17.498 ( -0.581 0.000 -5.084) 5.117 17.791 ( 2.372 0.000 2.701) 3.594 17.820 ( 1.910 0.000 0.639) 2.014 17.841 ( 2.737 0.000 1.154) 2.971 17.844 ( 1.568 0.000 2.668) 3.094 19.392 ( 0.286 0.000 -0.101) 0.304 19.403 ( -0.007 0.000 -1.039) 1.039 19.416 ( 0.781 0.000 0.708) 1.054 19.440 ( 0.888 0.000 -1.430) 1.684 19.634 ( 0.117 0.000 -4.411) 4.413 19.669 ( -1.537 0.000 -6.029) 6.221 19.879 ( 1.204 0.000 -2.501) 2.775 19.883 ( 1.719 0.000 -3.291) 3.713 20.325 ( -0.271 0.000 0.826) 0.870 20.329 ( 0.032 0.000 1.273) 1.274 20.337 ( -0.201 0.000 -0.441) 0.485 20.347 ( 0.019 0.000 -0.580) 0.580 21.007 ( -0.167 0.000 -0.780) 0.798 21.026 ( -0.182 0.000 -2.837) 2.843 21.047 ( 0.098 0.000 -1.606) 1.609 21.057 ( -0.038 0.000 -2.635) 2.635 22.024 ( -0.071 0.000 0.675) 0.679 22.035 ( -0.142 0.000 0.743) 0.757 22.036 ( -0.034 0.000 -0.561) 0.562 22.047 ( -0.198 0.000 -0.564) 0.598 23.638 ( 0.127 0.000 0.314) 0.339 23.649 ( 0.057 0.000 -0.696) 0.699 23.744 ( 0.494 0.000 0.374) 0.619 23.755 ( 0.218 0.000 -0.536) 0.578 26.514 ( -2.305 0.000 0.710) 2.412 26.544 ( -1.265 0.000 -2.969) 3.227 26.592 ( -1.069 0.000 1.262) 1.654 26.644 ( -1.524 0.000 -2.843) 3.226 26.777 ( 0.745 0.000 3.497) 3.575 26.807 ( 1.017 0.000 4.067) 4.192 26.845 ( 1.069 0.000 -3.484) 3.645 26.888 ( 1.228 0.000 -4.176) 4.353 27.364 ( 0.435 0.000 4.348) 4.369 27.400 ( 0.147 0.000 0.990) 1.001 27.417 ( 0.015 0.000 4.512) 4.512 27.438 ( 0.633 0.000 1.636) 1.754 30.571 ( -0.220 0.000 0.716) 0.749 30.579 ( -0.265 0.000 0.639) 0.692 30.581 ( -0.011 0.000 -0.653) 0.653 30.590 ( -0.167 0.000 -0.467) 0.496 31.849 ( 0.064 0.000 2.500) 2.501 31.866 ( -0.020 0.000 3.359) 3.359 31.907 ( -0.283 0.000 -2.864) 2.877 31.928 ( -0.149 0.000 -3.869) 3.872 32.844 ( 0.091 0.000 2.930) 2.931 32.869 ( 0.485 0.000 -0.483) 0.685 32.970 ( 4.224 0.000 -1.041) 4.350 33.021 ( -5.152 0.000 4.784) 7.030 33.227 ( 7.351 0.000 -4.245) 8.488 33.241 ( 0.285 0.000 2.441) 2.457 33.264 ( -4.112 0.000 5.112) 6.561 33.303 ( 3.263 0.000 -8.364) 8.978 33.516 ( 0.584 0.000 3.361) 3.411 33.631 ( -3.218 0.000 -3.921) 5.073 33.663 ( -0.662 0.000 6.664) 6.697 33.775 ( -0.486 0.000 -4.787) 4.812 34.214 ( 0.459 0.000 4.216) 4.241 34.339 ( 2.175 0.000 -10.056) 10.289 34.598 ( 0.932 0.000 1.547) 1.806 34.688 ( 0.459 0.000 -6.639) 6.655 36.430 ( 0.639 0.000 5.777) 5.812 36.444 ( 0.776 0.000 3.834) 3.912 36.574 ( -0.348 0.000 7.575) 7.583 36.601 ( 0.122 0.000 3.555) 3.557 37.645 ( -0.138 0.000 -4.071) 4.074 37.650 ( -0.397 0.000 -4.159) 4.178 37.659 ( -0.047 0.000 -2.228) 2.228 37.723 ( -0.087 0.000 -8.606) 8.606 ======================= Grid point 48 (30/36) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 4.493 0.000 -1.141) 4.635 1.466 ( 2.919 0.000 -7.924) 8.445 1.538 ( -4.570 0.000 -6.921) 8.294 1.548 ( 3.021 0.000 4.178) 5.156 1.771 ( 1.702 0.000 3.733) 4.103 1.816 ( -0.619 0.000 -9.834) 9.853 1.938 ( -6.558 0.000 3.629) 7.495 2.097 ( -1.920 0.000 -1.213) 2.272 2.174 ( -5.893 0.000 -8.218) 10.112 2.205 ( 3.594 0.000 9.111) 9.794 2.293 ( 5.202 0.000 -5.368) 7.475 2.354 ( 0.723 0.000 -1.401) 1.577 2.455 ( -2.524 0.000 -2.334) 3.438 2.558 ( 2.209 0.000 -6.880) 7.226 2.703 ( -4.168 0.000 -3.225) 5.270 2.709 ( 1.071 0.000 0.857) 1.372 2.753 ( -2.699 0.000 2.930) 3.984 2.788 ( 0.863 0.000 4.457) 4.540 2.836 ( 0.807 0.000 -0.102) 0.813 2.861 ( -3.980 0.000 -6.081) 7.268 2.917 ( 4.404 0.000 -2.471) 5.050 2.919 ( 0.841 0.000 -1.907) 2.084 2.964 ( -0.106 0.000 -1.755) 1.758 3.007 ( -0.528 0.000 1.810) 1.886 3.062 ( -1.015 0.000 -3.718) 3.854 3.092 ( 6.324 0.000 -4.038) 7.504 3.158 ( 0.475 0.000 1.542) 1.614 3.201 ( 3.268 0.000 0.868) 3.381 3.217 ( -1.056 0.000 -2.686) 2.886 3.220 ( 3.164 0.000 0.788) 3.261 3.264 ( -6.753 0.000 -0.406) 6.765 3.364 ( 1.658 0.000 1.556) 2.274 3.366 ( 1.334 0.000 -5.555) 5.713 3.395 ( 2.453 0.000 -2.551) 3.539 3.438 ( 7.017 0.000 2.278) 7.377 3.505 ( 1.924 0.000 -5.789) 6.101 3.534 ( 6.512 0.000 6.058) 8.895 3.633 ( -1.344 0.000 -5.011) 5.189 3.659 ( -5.674 0.000 3.581) 6.709 3.771 ( -1.088 0.000 -2.022) 2.296 3.794 ( 3.436 0.000 0.828) 3.535 3.825 ( 1.332 0.000 -4.970) 5.145 3.895 ( 1.489 0.000 -1.080) 1.840 3.910 ( -0.938 0.000 -2.956) 3.102 3.953 ( -1.338 0.000 2.128) 2.514 4.048 ( -2.307 0.000 3.262) 3.995 4.088 ( 2.103 0.000 -0.802) 2.251 4.144 ( -3.185 0.000 0.802) 3.284 4.180 ( 4.157 0.000 -0.209) 4.162 4.206 ( -3.596 0.000 -1.945) 4.089 4.252 ( 2.452 0.000 1.314) 2.782 4.280 ( 5.580 0.000 -7.066) 9.004 4.310 ( 1.944 0.000 3.271) 3.805 4.392 ( -4.112 0.000 0.221) 4.118 4.429 ( 3.896 0.000 1.333) 4.118 4.511 ( 2.133 0.000 3.600) 4.185 4.533 ( -2.331 0.000 -1.286) 2.662 4.589 ( 2.949 0.000 1.889) 3.503 4.655 ( -0.481 0.000 2.463) 2.509 4.656 ( 1.129 0.000 5.391) 5.508 4.770 ( -4.210 0.000 0.124) 4.211 4.843 ( -1.633 0.000 7.960) 8.126 4.909 ( -0.718 0.000 0.304) 0.780 4.944 ( 0.354 0.000 -5.712) 5.723 4.949 ( 2.444 0.000 8.251) 8.605 5.017 ( -1.669 0.000 4.064) 4.394 5.081 ( 2.751 0.000 -0.489) 2.794 5.098 ( 1.760 0.000 5.458) 5.734 5.125 ( -1.528 0.000 -10.472) 10.583 5.138 ( 3.640 0.000 -1.521) 3.946 5.192 ( -0.976 0.000 -3.578) 3.709 5.217 ( -2.204 0.000 -0.141) 2.208 5.390 ( 4.318 0.000 4.508) 6.242 5.402 ( -2.679 0.000 -2.530) 3.685 5.557 ( -2.623 0.000 16.423) 16.631 5.766 ( -0.908 0.000 0.705) 1.149 5.861 ( -5.560 0.000 6.551) 8.592 6.134 ( 4.311 0.000 -1.470) 4.555 6.147 ( 1.598 0.000 -15.863) 15.944 6.183 ( 1.602 0.000 -10.763) 10.882 6.425 ( -4.926 0.000 8.435) 9.769 6.462 ( -3.462 0.000 -2.969) 4.560 6.532 ( 3.553 0.000 -0.768) 3.635 6.579 ( -4.263 0.000 -6.090) 7.434 6.643 ( -3.594 0.000 8.844) 9.547 6.727 ( -0.635 0.000 1.603) 1.724 6.810 ( 1.340 0.000 -5.178) 5.349 6.861 ( 0.931 0.000 -6.685) 6.749 7.020 ( -2.966 0.000 3.991) 4.972 7.033 ( -5.727 0.000 2.859) 6.401 7.203 ( -0.318 0.000 -4.226) 4.238 7.300 ( 9.440 0.000 1.112) 9.505 7.437 ( -5.432 0.000 1.533) 5.644 7.450 ( -1.048 0.000 6.024) 6.115 7.478 ( 0.503 0.000 3.101) 3.142 7.557 ( 0.052 0.000 -1.037) 1.038 7.586 ( -0.292 0.000 2.228) 2.247 7.613 ( 0.473 0.000 -0.533) 0.713 7.680 ( -1.008 0.000 -1.870) 2.124 7.705 ( 1.321 0.000 -1.150) 1.752 7.776 ( -9.285 0.000 -3.712) 9.999 7.804 ( 0.055 0.000 4.491) 4.491 7.830 ( -6.002 0.000 -2.315) 6.433 7.830 ( -4.890 0.000 5.799) 7.586 7.873 ( -3.205 0.000 3.987) 5.116 8.004 ( 0.831 0.000 -0.742) 1.114 8.040 ( -3.507 0.000 0.383) 3.528 8.133 ( 2.173 0.000 -6.175) 6.546 8.201 ( 5.323 0.000 2.995) 6.107 8.253 ( -2.322 0.000 -7.562) 7.910 8.283 ( -1.949 0.000 2.264) 2.987 8.395 ( 1.846 0.000 -3.499) 3.956 8.425 ( -2.851 0.000 2.470) 3.773 8.593 ( 4.570 0.000 -2.557) 5.237 8.655 ( -4.497 0.000 4.352) 6.258 8.790 ( -3.529 0.000 -5.259) 6.333 8.848 ( 2.826 0.000 -0.580) 2.885 8.857 ( 6.805 0.000 2.612) 7.289 9.044 ( -4.951 0.000 4.911) 6.974 9.060 ( 2.750 0.000 -0.910) 2.897 9.131 ( 6.235 0.000 -4.459) 7.665 9.207 ( -3.006 0.000 1.054) 3.185 9.417 ( -0.613 0.000 10.631) 10.649 9.520 ( -2.401 0.000 -1.201) 2.685 9.566 ( 1.025 0.000 5.815) 5.904 9.656 ( 6.975 0.000 -0.246) 6.979 9.666 ( -0.083 0.000 11.474) 11.474 9.877 ( -1.750 0.000 -9.699) 9.856 9.913 ( 7.147 0.000 6.243) 9.490 9.995 ( 3.315 0.000 -2.386) 4.084 10.085 ( -1.862 0.000 4.955) 5.293 10.168 ( 2.491 0.000 1.731) 3.034 10.261 ( 1.873 0.000 6.061) 6.344 10.302 ( -9.481 0.000 -17.389) 19.806 10.534 ( 7.898 0.000 1.422) 8.025 10.572 ( 5.374 0.000 -3.543) 6.437 11.071 ( -7.891 0.000 -3.888) 8.797 11.104 ( 3.136 0.000 6.730) 7.425 11.459 ( -5.707 0.000 -1.375) 5.870 11.613 ( 3.045 0.000 -5.510) 6.295 11.760 ( -4.700 0.000 2.539) 5.342 11.912 ( 3.576 0.000 -4.231) 5.539 11.933 ( -0.647 0.000 -5.796) 5.832 11.988 ( 6.084 0.000 0.301) 6.092 13.338 ( -0.693 0.000 -2.046) 2.160 13.351 ( 0.678 0.000 -1.567) 1.708 13.444 ( -0.316 0.000 -1.587) 1.618 13.470 ( 0.922 0.000 -2.756) 2.906 13.941 ( 3.484 0.000 7.473) 8.246 13.949 ( -0.375 0.000 3.071) 3.094 14.197 ( -0.275 0.000 6.438) 6.444 14.208 ( 0.409 0.000 5.420) 5.435 15.123 ( 1.988 0.000 -3.334) 3.882 15.132 ( -2.752 0.000 -8.757) 9.179 15.244 ( -2.660 0.000 -0.296) 2.676 15.308 ( -0.643 0.000 -3.942) 3.994 15.494 ( -4.110 0.000 2.437) 4.778 15.551 ( 1.891 0.000 2.858) 3.427 16.011 ( -3.546 0.000 8.228) 8.959 16.090 ( -0.428 0.000 2.680) 2.714 16.964 ( 2.129 0.000 1.767) 2.767 17.057 ( 5.809 0.000 -3.963) 7.032 17.069 ( 4.469 0.000 3.042) 5.406 17.104 ( 1.854 0.000 -3.955) 4.368 17.340 ( -0.498 0.000 3.928) 3.959 17.416 ( 0.477 0.000 3.410) 3.443 17.454 ( 1.631 0.000 -4.406) 4.698 17.501 ( 0.982 0.000 -4.397) 4.506 17.796 ( -1.947 0.000 3.242) 3.781 17.807 ( -2.861 0.000 0.979) 3.024 17.833 ( -2.647 0.000 1.975) 3.302 17.860 ( -1.089 0.000 0.996) 1.476 19.396 ( 0.072 0.000 -0.170) 0.185 19.400 ( -0.323 0.000 -0.885) 0.942 19.422 ( -0.364 0.000 0.576) 0.681 19.444 ( -0.525 0.000 -2.231) 2.292 19.638 ( 0.232 0.000 -3.153) 3.162 19.639 ( -0.968 0.000 -4.987) 5.080 19.879 ( -1.212 0.000 -2.889) 3.133 19.893 ( -0.760 0.000 -3.901) 3.974 20.322 ( -0.026 0.000 1.109) 1.110 20.331 ( 0.115 0.000 1.022) 1.028 20.336 ( 0.153 0.000 -0.291) 0.329 20.348 ( 0.128 0.000 -0.702) 0.714 21.007 ( 0.201 0.000 -0.975) 0.996 21.029 ( 0.432 0.000 -2.910) 2.942 21.045 ( -0.217 0.000 -1.470) 1.486 21.056 ( -0.003 0.000 -2.628) 2.628 22.024 ( 0.048 0.000 0.686) 0.687 22.034 ( 0.083 0.000 0.740) 0.745 22.036 ( 0.048 0.000 -0.557) 0.559 22.047 ( 0.251 0.000 -0.557) 0.611 23.638 ( -0.142 0.000 0.477) 0.497 23.647 ( -0.280 0.000 -0.580) 0.644 23.747 ( -0.207 0.000 0.246) 0.321 23.754 ( -0.299 0.000 -0.650) 0.716 26.505 ( 1.565 0.000 0.989) 1.851 26.548 ( 1.613 0.000 -2.763) 3.199 26.604 ( 2.047 0.000 1.324) 2.438 26.630 ( 0.289 0.000 -2.642) 2.658 26.780 ( -0.526 0.000 3.205) 3.248 26.812 ( -0.446 0.000 3.629) 3.656 26.849 ( -0.714 0.000 -3.907) 3.972 26.890 ( -1.072 0.000 -4.596) 4.719 27.364 ( -0.433 0.000 4.629) 4.649 27.396 ( -0.534 0.000 1.224) 1.335 27.409 ( -0.684 0.000 4.553) 4.604 27.446 ( 0.050 0.000 1.558) 1.559 30.568 ( -0.014 0.000 0.742) 0.742 30.579 ( 0.233 0.000 0.680) 0.719 30.583 ( 0.191 0.000 -0.597) 0.627 30.589 ( 0.146 0.000 -0.466) 0.488 31.853 ( 0.258 0.000 2.793) 2.804 31.863 ( -0.246 0.000 3.007) 3.017 31.899 ( -0.222 0.000 -2.739) 2.748 31.936 ( 0.678 0.000 -4.026) 4.082 32.841 ( -0.312 0.000 2.735) 2.753 32.875 ( -0.112 0.000 -0.512) 0.524 32.925 ( -3.678 0.000 3.789) 5.281 33.072 ( 4.953 0.000 0.166) 4.956 33.158 ( -5.223 0.000 2.703) 5.881 33.191 ( -4.107 0.000 2.965) 5.065 33.301 ( -1.716 0.000 -3.822) 4.189 33.388 ( 4.395 0.000 -7.825) 8.975 33.559 ( 2.544 0.000 3.604) 4.411 33.586 ( 0.124 0.000 -4.040) 4.042 33.662 ( 0.495 0.000 6.791) 6.810 33.775 ( 0.517 0.000 -4.712) 4.741 34.211 ( -0.652 0.000 3.832) 3.887 34.351 ( -1.186 0.000 -10.860) 10.925 34.606 ( -0.289 0.000 2.217) 2.236 34.665 ( -2.332 0.000 -5.632) 6.095 36.424 ( -1.042 0.000 5.895) 5.986 36.446 ( -0.640 0.000 4.037) 4.087 36.565 ( -0.383 0.000 7.008) 7.019 36.622 ( 1.530 0.000 3.050) 3.412 37.644 ( -0.123 0.000 -4.191) 4.193 37.651 ( 0.638 0.000 -3.960) 4.011 37.659 ( 0.082 0.000 -2.011) 2.012 37.715 ( -0.520 0.000 -8.239) 8.256 ======================= Grid point 49 (31/36) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.685 0.000 4.499) 4.551 1.456 ( -2.530 0.000 4.848) 5.469 1.541 ( 1.954 0.000 0.006) 1.954 1.646 ( 6.387 0.000 2.129) 6.733 1.709 ( -2.296 0.000 -0.826) 2.440 1.849 ( 3.577 0.000 -10.856) 11.430 1.935 ( 3.759 0.000 -3.634) 5.229 2.028 ( -5.117 0.000 -13.680) 14.605 2.080 ( -3.224 0.000 6.196) 6.985 2.248 ( -0.503 0.000 -2.176) 2.233 2.314 ( -8.451 0.000 7.179) 11.089 2.338 ( -2.812 0.000 -4.648) 5.432 2.458 ( 2.613 0.000 0.541) 2.668 2.487 ( -3.526 0.000 -4.464) 5.689 2.648 ( -0.284 0.000 -5.743) 5.750 2.661 ( -4.487 0.000 -3.184) 5.502 2.720 ( 2.105 0.000 3.090) 3.739 2.782 ( -0.031 0.000 2.133) 2.133 2.826 ( -3.216 0.000 3.803) 4.981 2.850 ( 2.212 0.000 -5.277) 5.722 2.901 ( 0.350 0.000 -8.298) 8.305 2.926 ( -4.195 0.000 8.696) 9.655 2.973 ( -0.723 0.000 -0.721) 1.021 3.074 ( 3.825 0.000 0.032) 3.825 3.113 ( 6.192 0.000 -4.758) 7.809 3.153 ( 2.886 0.000 -3.269) 4.361 3.188 ( 1.180 0.000 1.632) 2.014 3.206 ( 4.204 0.000 1.923) 4.623 3.217 ( 3.199 0.000 -0.848) 3.310 3.317 ( 2.795 0.000 -1.755) 3.301 3.337 ( 1.284 0.000 -2.498) 2.809 3.386 ( 2.734 0.000 -5.517) 6.157 3.442 ( 5.876 0.000 -0.146) 5.878 3.519 ( 5.311 0.000 -0.037) 5.312 3.543 ( -3.502 0.000 -4.240) 5.499 3.576 ( -2.298 0.000 1.335) 2.658 3.596 ( 7.981 0.000 1.728) 8.166 3.599 ( 7.736 0.000 -0.971) 7.796 3.678 ( 2.862 0.000 6.695) 7.281 3.729 ( -2.830 0.000 -3.537) 4.530 3.797 ( -2.474 0.000 -0.499) 2.524 3.851 ( 0.921 0.000 -5.642) 5.716 3.872 ( -1.213 0.000 -0.402) 1.278 3.884 ( -2.281 0.000 -2.117) 3.112 3.955 ( -1.886 0.000 0.472) 1.944 4.006 ( -1.736 0.000 0.105) 1.739 4.009 ( -8.295 0.000 1.113) 8.370 4.140 ( -5.797 0.000 -1.215) 5.923 4.167 ( 4.660 0.000 1.835) 5.008 4.227 ( 5.301 0.000 -2.659) 5.930 4.310 ( 3.766 0.000 0.280) 3.777 4.323 ( -1.092 0.000 -0.464) 1.187 4.411 ( 5.868 0.000 -1.464) 6.048 4.434 ( 3.209 0.000 -2.035) 3.800 4.503 ( 4.669 0.000 -2.309) 5.209 4.527 ( -0.785 0.000 5.546) 5.601 4.551 ( -2.796 0.000 7.611) 8.108 4.601 ( 6.750 0.000 1.236) 6.862 4.665 ( 0.543 0.000 3.046) 3.094 4.672 ( -2.577 0.000 4.248) 4.969 4.744 ( 1.996 0.000 0.423) 2.040 4.814 ( 0.384 0.000 6.066) 6.079 4.845 ( -3.752 0.000 0.838) 3.845 4.917 ( -2.867 0.000 -2.805) 4.011 5.001 ( 0.959 0.000 -0.686) 1.179 5.024 ( 2.761 0.000 7.612) 8.098 5.049 ( -3.133 0.000 -4.594) 5.561 5.098 ( -1.455 0.000 2.479) 2.874 5.148 ( 0.173 0.000 -4.453) 4.456 5.152 ( -2.502 0.000 -8.977) 9.319 5.210 ( 3.195 0.000 -3.996) 5.116 5.225 ( 2.561 0.000 -1.145) 2.805 5.349 ( -0.554 0.000 1.666) 1.756 5.482 ( 4.232 0.000 1.661) 4.546 5.555 ( 1.434 0.000 14.040) 14.113 5.689 ( -6.717 0.000 6.792) 9.553 5.786 ( -0.869 0.000 12.341) 12.372 6.145 ( 0.340 0.000 -10.129) 10.134 6.168 ( -2.020 0.000 3.574) 4.106 6.270 ( 1.793 0.000 -9.364) 9.534 6.304 ( -6.049 0.000 -10.019) 11.703 6.361 ( -0.454 0.000 3.840) 3.867 6.449 ( -10.368 0.000 -1.235) 10.442 6.519 ( -4.630 0.000 -6.757) 8.192 6.559 ( -2.551 0.000 1.921) 3.193 6.626 ( -8.183 0.000 -10.554) 13.355 6.797 ( 5.396 0.000 5.162) 7.468 6.913 ( 2.226 0.000 -3.646) 4.272 6.989 ( 1.024 0.000 0.867) 1.342 7.076 ( 4.246 0.000 4.998) 6.558 7.220 ( 0.286 0.000 -1.855) 1.877 7.326 ( -5.308 0.000 -1.029) 5.407 7.425 ( -0.268 0.000 6.903) 6.908 7.453 ( -1.257 0.000 -0.541) 1.369 7.488 ( 3.178 0.000 2.509) 4.048 7.500 ( -9.694 0.000 1.263) 9.776 7.557 ( -4.385 0.000 -0.164) 4.388 7.563 ( -0.548 0.000 0.859) 1.019 7.593 ( 0.794 0.000 1.339) 1.557 7.647 ( -0.285 0.000 -3.073) 3.086 7.685 ( -7.090 0.000 0.826) 7.138 7.711 ( -2.296 0.000 -3.030) 3.802 7.758 ( 0.648 0.000 1.446) 1.585 7.796 ( -2.333 0.000 3.315) 4.054 7.875 ( 1.812 0.000 4.030) 4.418 7.949 ( -1.560 0.000 3.819) 4.126 7.973 ( -2.589 0.000 -5.218) 5.825 8.136 ( -1.614 0.000 -3.716) 4.051 8.195 ( -4.809 0.000 7.057) 8.540 8.247 ( 1.977 0.000 -7.780) 8.028 8.305 ( 2.655 0.000 5.410) 6.027 8.381 ( -3.602 0.000 -1.129) 3.775 8.456 ( 2.779 0.000 -1.681) 3.248 8.576 ( 0.052 0.000 0.447) 0.450 8.708 ( 4.702 0.000 -2.835) 5.490 8.712 ( -2.137 0.000 -0.208) 2.147 8.889 ( 0.758 0.000 -0.262) 0.802 8.948 ( -10.498 0.000 -0.310) 10.503 8.993 ( 0.073 0.000 -1.854) 1.855 9.012 ( 4.531 0.000 5.639) 7.234 9.180 ( 1.631 0.000 0.235) 1.648 9.244 ( 3.292 0.000 -6.512) 7.297 9.399 ( 1.888 0.000 4.923) 5.273 9.474 ( -0.279 0.000 -2.152) 2.170 9.675 ( 1.403 0.000 0.864) 1.648 9.727 ( 8.894 0.000 15.271) 17.673 9.831 ( 0.076 0.000 -6.615) 6.616 9.858 ( 2.868 0.000 -8.917) 9.367 9.974 ( -2.527 0.000 7.418) 7.836 9.994 ( -5.131 0.000 -1.204) 5.271 10.084 ( 7.706 0.000 3.612) 8.510 10.212 ( 2.693 0.000 1.207) 2.951 10.239 ( 1.380 0.000 -8.015) 8.133 10.272 ( -0.299 0.000 9.229) 9.234 10.733 ( 9.294 0.000 -4.843) 10.480 10.750 ( 9.346 0.000 4.219) 10.254 10.979 ( -0.399 0.000 1.719) 1.765 11.143 ( -0.805 0.000 9.603) 9.637 11.322 ( -5.711 0.000 -0.522) 5.735 11.557 ( -6.197 0.000 -7.503) 9.731 11.662 ( -3.138 0.000 -0.723) 3.220 11.926 ( -2.959 0.000 -11.505) 11.880 12.028 ( 7.932 0.000 -6.182) 10.056 12.088 ( 2.530 0.000 1.585) 2.986 13.336 ( 0.422 0.000 -1.921) 1.967 13.355 ( -0.159 0.000 -1.721) 1.728 13.453 ( 1.085 0.000 -0.608) 1.244 13.491 ( 0.936 0.000 -2.579) 2.744 13.973 ( 2.168 0.000 4.429) 4.931 14.029 ( 3.465 0.000 5.526) 6.523 14.198 ( 0.481 0.000 8.812) 8.825 14.224 ( 1.115 0.000 6.247) 6.346 15.080 ( -0.997 0.000 -8.712) 8.769 15.134 ( -2.177 0.000 -4.278) 4.800 15.190 ( -0.692 0.000 -1.392) 1.555 15.267 ( -2.910 0.000 -2.862) 4.082 15.422 ( -1.992 0.000 4.061) 4.523 15.554 ( -1.882 0.000 0.779) 2.036 15.919 ( -4.161 0.000 8.427) 9.399 16.048 ( -2.967 0.000 0.015) 2.967 17.055 ( 5.532 0.000 1.873) 5.841 17.172 ( 2.808 0.000 -1.765) 3.317 17.180 ( 4.996 0.000 4.116) 6.473 17.216 ( 7.661 0.000 -4.356) 8.813 17.375 ( 4.998 0.000 1.399) 5.190 17.456 ( 3.535 0.000 2.790) 4.504 17.502 ( 3.155 0.000 -2.473) 4.008 17.535 ( 1.903 0.000 -2.447) 3.099 17.716 ( -5.170 0.000 2.337) 5.673 17.717 ( -5.319 0.000 0.658) 5.360 17.741 ( -5.698 0.000 0.823) 5.757 17.793 ( -5.207 0.000 0.291) 5.216 19.391 ( -0.489 0.000 -0.657) 0.819 19.395 ( -0.095 0.000 -0.208) 0.229 19.401 ( -1.322 0.000 -0.199) 1.337 19.425 ( -1.073 0.000 -2.790) 2.990 19.638 ( 0.901 0.000 -4.020) 4.120 19.643 ( 0.231 0.000 -1.387) 1.406 19.837 ( -2.288 0.000 -3.103) 3.856 19.859 ( -2.151 0.000 -4.236) 4.751 20.324 ( 0.159 0.000 1.381) 1.390 20.333 ( 0.121 0.000 0.900) 0.908 20.341 ( 0.265 0.000 -0.288) 0.391 20.351 ( 0.131 0.000 -0.816) 0.826 21.015 ( 0.461 0.000 -0.815) 0.936 21.038 ( -0.426 0.000 -1.086) 1.167 21.041 ( 0.644 0.000 -3.146) 3.211 21.055 ( -0.129 0.000 -2.891) 2.894 22.026 ( 0.103 0.000 0.665) 0.673 22.037 ( 0.205 0.000 0.905) 0.928 22.038 ( 0.080 0.000 -0.529) 0.535 22.055 ( 0.408 0.000 -0.800) 0.898 23.633 ( -0.223 0.000 0.384) 0.444 23.641 ( -0.226 0.000 -0.566) 0.610 23.737 ( -0.631 0.000 0.417) 0.756 23.745 ( -0.412 0.000 -0.775) 0.878 26.575 ( 4.749 0.000 0.597) 4.787 26.604 ( 3.514 0.000 -1.115) 3.687 26.654 ( 1.799 0.000 -0.719) 1.937 26.667 ( 3.685 0.000 0.614) 3.736 26.753 ( -2.038 0.000 2.027) 2.875 26.790 ( -1.654 0.000 2.129) 2.696 26.815 ( -2.491 0.000 -3.871) 4.603 26.842 ( -3.523 0.000 -4.396) 5.633 27.350 ( -0.741 0.000 4.982) 5.036 27.383 ( -0.536 0.000 1.250) 1.360 27.396 ( -0.353 0.000 4.689) 4.702 27.440 ( -0.498 0.000 1.457) 1.539 30.570 ( 0.205 0.000 0.761) 0.788 30.587 ( 0.101 0.000 -0.565) 0.574 30.587 ( 0.479 0.000 0.512) 0.701 30.595 ( 0.297 0.000 -0.286) 0.413 31.856 ( -0.219 0.000 2.566) 2.575 31.860 ( 0.241 0.000 3.807) 3.815 31.899 ( 0.131 0.000 -2.594) 2.598 31.952 ( 0.706 0.000 -5.189) 5.237 32.831 ( -1.117 0.000 3.249) 3.435 32.860 ( -1.274 0.000 -0.580) 1.400 32.877 ( 0.002 0.000 0.872) 0.872 33.017 ( -5.707 0.000 2.101) 6.081 33.102 ( -2.527 0.000 0.174) 2.533 33.201 ( -6.203 0.000 -0.689) 6.241 33.228 ( 6.372 0.000 3.032) 7.057 33.452 ( 1.548 0.000 -7.148) 7.314 33.596 ( 0.814 0.000 4.004) 4.086 33.630 ( 2.954 0.000 -5.171) 5.955 33.674 ( 0.377 0.000 5.968) 5.979 33.786 ( 0.244 0.000 -5.636) 5.642 34.193 ( -0.896 0.000 2.705) 2.849 34.296 ( -3.473 0.000 -7.576) 8.334 34.589 ( -1.125 0.000 1.863) 2.176 34.614 ( -2.004 0.000 -3.150) 3.733 36.398 ( -1.160 0.000 5.956) 6.068 36.424 ( -1.162 0.000 3.795) 3.969 36.561 ( 0.038 0.000 7.188) 7.188 36.648 ( 0.658 0.000 0.666) 0.936 37.647 ( 0.483 0.000 -3.463) 3.496 37.661 ( 0.057 0.000 -1.783) 1.784 37.665 ( 0.596 0.000 -4.141) 4.184 37.704 ( -0.436 0.000 -6.839) 6.853 ======================= Grid point 50 (32/36) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.076 1.085 19.281) 19.312 1.441 ( -0.870 -1.720 7.051) 7.310 1.522 ( -1.820 -0.256 1.102) 2.143 1.616 ( -2.864 -5.979 -5.276) 8.473 1.827 ( -3.063 5.304 -0.494) 6.145 1.878 ( 1.699 -1.024 -6.088) 6.403 1.998 ( 0.303 3.853 -5.676) 6.867 2.051 ( 1.273 1.954 -11.569) 11.802 2.104 ( 1.883 2.276 6.947) 7.549 2.167 ( 2.490 -2.424 4.774) 5.905 2.284 ( -0.731 0.716 -6.009) 6.096 2.296 ( 0.190 1.584 -10.431) 10.552 2.472 ( -1.088 3.919 -0.499) 4.098 2.536 ( -1.820 -0.652 -6.493) 6.775 2.549 ( 0.283 0.107 3.977) 3.988 2.618 ( -2.499 -5.240 -1.587) 6.018 2.704 ( 1.058 0.610 -2.764) 3.022 2.727 ( 1.005 0.188 -2.718) 2.904 2.842 ( 1.137 0.924 2.466) 2.869 2.883 ( -1.250 1.529 -0.792) 2.128 2.910 ( -0.124 -2.927 -0.036) 2.930 2.921 ( 1.809 -0.596 -0.663) 2.016 3.041 ( 0.823 1.358 0.484) 1.660 3.075 ( -4.125 -2.102 -1.538) 4.879 3.126 ( -2.882 2.742 3.007) 4.987 3.169 ( 1.876 -2.985 -0.658) 3.586 3.200 ( -0.125 1.559 3.346) 3.693 3.222 ( 3.075 -2.412 -1.669) 4.250 3.275 ( 1.058 0.893 -0.431) 1.450 3.335 ( 0.164 -1.061 0.369) 1.135 3.372 ( -0.590 -0.315 0.253) 0.715 3.426 ( -1.257 -0.194 -1.364) 1.865 3.445 ( 2.542 -1.489 0.911) 3.084 3.509 ( -1.411 -0.837 -2.530) 3.016 3.554 ( 0.174 -0.464 1.002) 1.117 3.578 ( 1.631 -0.278 -0.570) 1.750 3.608 ( -2.324 0.295 -2.769) 3.627 3.627 ( 0.362 -3.995 -4.922) 6.349 3.762 ( -0.982 0.086 0.825) 1.285 3.773 ( -2.866 -0.089 1.708) 3.338 3.787 ( 0.548 1.104 0.059) 1.234 3.815 ( -1.740 -1.435 0.276) 2.272 3.838 ( 0.946 1.561 -1.662) 2.468 3.849 ( 4.373 0.483 -1.895) 4.790 3.953 ( -1.956 4.059 3.529) 5.723 4.005 ( -1.722 0.988 -0.900) 2.180 4.048 ( 1.856 5.032 1.128) 5.481 4.071 ( -1.030 3.604 -1.125) 3.913 4.211 ( -0.272 -1.346 3.421) 3.686 4.252 ( 0.098 -3.870 0.735) 3.941 4.282 ( 0.335 -2.284 1.776) 2.913 4.324 ( 0.677 -4.164 -2.644) 4.979 4.440 ( -0.595 1.374 5.076) 5.292 4.458 ( -0.506 1.588 5.254) 5.513 4.503 ( -2.084 2.358 1.046) 3.316 4.560 ( 0.790 1.010 -0.193) 1.297 4.582 ( 1.295 -0.984 -2.858) 3.288 4.630 ( 0.640 0.469 -4.874) 4.939 4.706 ( 0.741 -4.104 3.032) 5.156 4.729 ( -0.486 -2.593 1.017) 2.827 4.745 ( 2.042 5.618 3.112) 6.739 4.820 ( 0.368 1.760 -3.419) 3.863 4.838 ( 1.091 -0.425 2.220) 2.509 4.886 ( -4.642 -1.221 -1.209) 4.950 4.938 ( -0.374 0.511 1.765) 1.875 4.971 ( -0.129 -2.840 -1.421) 3.178 5.028 ( -1.372 -1.134 -1.492) 2.322 5.035 ( -1.439 -1.635 -1.510) 2.650 5.157 ( -0.194 4.147 5.500) 6.891 5.194 ( -1.024 1.595 0.965) 2.127 5.230 ( -0.382 -0.264 -1.748) 1.809 5.256 ( 0.897 -1.672 -3.000) 3.550 5.412 ( 2.597 0.031 2.731) 3.769 5.448 ( -2.769 -2.716 -0.212) 3.885 5.615 ( 2.448 1.088 5.618) 6.224 5.626 ( 4.174 0.388 4.917) 6.461 5.878 ( 4.539 4.745 11.563) 13.297 6.015 ( 3.817 -6.460 6.147) 9.700 6.126 ( -3.399 0.899 -8.818) 9.493 6.189 ( -4.883 -4.057 -7.601) 9.903 6.248 ( -4.721 0.931 3.650) 6.039 6.284 ( -4.077 -1.385 2.641) 5.051 6.381 ( -0.128 2.606 -8.569) 8.957 6.417 ( 1.963 0.026 -8.909) 9.123 6.617 ( 0.415 3.953 -3.270) 5.147 6.644 ( 1.349 1.094 -6.459) 6.688 6.807 ( 1.233 -2.807 -0.260) 3.077 6.812 ( 0.572 -3.678 -0.949) 3.841 7.147 ( 3.630 3.259 2.511) 5.487 7.166 ( 1.392 3.487 1.632) 4.094 7.240 ( -1.447 0.603 -0.996) 1.857 7.258 ( -1.671 -0.342 -0.286) 1.729 7.373 ( -2.841 1.664 2.151) 3.933 7.436 ( 1.772 -2.443 -2.385) 3.846 7.464 ( -0.288 0.563 0.689) 0.935 7.483 ( 2.662 -0.605 -1.364) 3.052 7.579 ( -0.082 2.483 3.123) 3.991 7.609 ( -2.206 1.132 2.506) 3.526 7.633 ( -0.766 2.980 0.990) 3.233 7.639 ( 0.376 3.147 -1.370) 3.453 7.691 ( 1.693 2.300 1.849) 3.402 7.746 ( 0.704 5.041 -4.754) 6.965 7.779 ( -0.470 -4.327 1.870) 4.737 7.836 ( 3.557 -0.308 -3.122) 4.743 7.881 ( 3.204 3.769 4.445) 6.651 7.937 ( -0.964 3.467 -0.016) 3.599 8.044 ( 2.804 -0.126 0.295) 2.822 8.056 ( -1.301 -5.127 1.831) 5.597 8.085 ( 2.209 -3.282 -3.015) 4.974 8.095 ( -4.226 -3.678 -1.074) 5.705 8.278 ( -3.647 3.445 3.958) 6.390 8.374 ( 1.635 3.719 -5.024) 6.461 8.443 ( 2.331 -6.634 4.017) 8.098 8.537 ( -3.157 -6.819 -4.641) 8.832 8.681 ( -1.509 3.575 3.454) 5.195 8.725 ( 1.242 -0.103 -0.341) 1.292 8.904 ( -0.017 -1.830 -0.422) 1.879 8.941 ( -2.745 -3.420 -3.708) 5.743 9.094 ( 5.027 6.144 3.831) 8.814 9.144 ( -2.177 5.407 1.366) 5.987 9.211 ( -2.731 5.626 5.290) 8.191 9.294 ( 1.381 6.782 -3.210) 7.629 9.383 ( -2.371 -2.587 2.027) 4.052 9.421 ( 0.666 -3.523 -1.528) 3.897 9.543 ( -4.036 -7.755 5.704) 10.439 9.636 ( 1.638 -8.659 -2.708) 9.219 9.769 ( -4.232 -1.398 6.535) 7.910 9.863 ( -3.891 -4.741 -0.403) 6.146 10.015 ( 2.418 3.012 -3.005) 4.894 10.022 ( 5.443 3.276 -4.863) 8.001 10.192 ( -3.913 1.906 1.900) 4.749 10.226 ( 4.399 0.785 -2.242) 4.999 10.300 ( 2.935 0.772 2.981) 4.255 10.349 ( 2.172 -1.135 -2.417) 3.442 10.801 ( -2.710 1.038 2.305) 3.706 10.859 ( 3.703 -3.475 -2.880) 5.838 11.014 ( 3.386 -0.158 6.013) 6.902 11.047 ( 0.378 -2.316 3.271) 4.025 11.440 ( 3.272 8.204 2.082) 9.075 11.521 ( -3.838 5.020 -3.827) 7.387 11.623 ( 1.977 -2.949 -1.541) 3.870 11.713 ( -5.986 -6.734 -8.699) 12.525 12.109 ( -3.170 2.401 -0.566) 4.017 12.146 ( 0.691 -0.922 -4.125) 4.283 13.350 ( -0.099 0.207 -1.589) 1.606 13.351 ( 0.000 0.138 -1.740) 1.745 13.481 ( 1.109 0.043 -2.287) 2.542 13.492 ( 0.489 -0.772 -3.359) 3.481 14.024 ( 0.649 0.504 5.183) 5.248 14.035 ( -1.368 -0.317 4.005) 4.244 14.227 ( 0.800 0.958 8.748) 8.836 14.246 ( 0.862 -0.549 6.972) 7.046 15.068 ( -3.426 1.396 -2.642) 4.546 15.106 ( -0.142 -1.180 -6.421) 6.530 15.163 ( 0.279 -0.430 -1.690) 1.766 15.195 ( 1.918 -2.207 -5.030) 5.819 15.488 ( 1.926 3.912 5.136) 6.737 15.535 ( -0.469 0.933 0.417) 1.124 15.865 ( 0.276 0.354 6.018) 6.034 15.936 ( -1.078 -4.584 -0.731) 4.765 17.162 ( 1.039 1.347 3.706) 4.077 17.191 ( -1.335 0.094 2.540) 2.871 17.215 ( -1.629 0.981 2.513) 3.152 17.271 ( -0.858 -2.557 -1.061) 2.898 17.508 ( -1.562 -0.227 -0.174) 1.588 17.517 ( 2.771 -0.871 -0.556) 2.958 17.555 ( 1.039 -0.508 -2.088) 2.387 17.556 ( 1.665 -0.516 -2.384) 2.953 17.634 ( 0.823 0.934 1.155) 1.699 17.642 ( 0.021 0.324 0.751) 0.819 17.691 ( 0.022 1.007 0.048) 1.008 17.693 ( -2.328 1.017 -0.020) 2.540 19.383 ( -0.135 0.115 -0.324) 0.369 19.386 ( -0.013 -0.130 -0.567) 0.581 19.399 ( -0.001 0.449 -0.942) 1.044 19.407 ( -0.209 -0.151 -1.908) 1.925 19.646 ( 0.168 0.380 -2.368) 2.404 19.661 ( 1.269 -0.742 -3.842) 4.113 19.813 ( -0.096 0.212 -3.055) 3.064 19.818 ( -0.697 -0.188 -3.624) 3.695 20.329 ( 0.045 0.178 1.309) 1.322 20.333 ( 0.006 -0.167 1.029) 1.042 20.347 ( 0.069 0.102 -0.491) 0.506 20.350 ( -0.098 -0.107 -0.722) 0.737 21.024 ( -0.060 0.219 -0.479) 0.530 21.030 ( 0.102 -0.240 -0.867) 0.905 21.052 ( -0.252 0.195 -3.252) 3.267 21.054 ( 0.160 0.050 -3.275) 3.279 22.030 ( 0.017 0.247 0.723) 0.764 22.037 ( 0.028 -0.268 0.892) 0.932 22.043 ( -0.014 0.369 -0.565) 0.674 22.054 ( -0.023 -0.471 -0.811) 0.938 23.632 ( 0.037 0.129 -0.013) 0.135 23.637 ( 0.088 -0.212 -0.404) 0.464 23.731 ( -0.112 0.292 0.204) 0.373 23.738 ( 0.006 -0.242 -0.477) 0.535 26.657 ( 0.603 0.095 0.614) 0.866 26.662 ( 0.618 -0.251 0.198) 0.696 26.703 ( 0.704 0.710 1.675) 1.950 26.717 ( 0.085 -0.285 0.936) 0.982 26.731 ( -0.776 0.491 -0.305) 0.968 26.740 ( -1.234 -0.293 -0.644) 1.422 26.765 ( -1.399 0.289 -3.365) 3.656 26.774 ( 0.977 -0.465 -3.149) 3.330 27.348 ( 0.093 0.585 4.694) 4.731 27.365 ( 0.269 -0.857 3.537) 3.649 27.411 ( 0.132 0.730 2.366) 2.480 27.424 ( -0.254 -0.433 1.539) 1.619 30.577 ( 0.093 0.274 0.667) 0.727 30.585 ( 0.003 -0.288 0.141) 0.320 30.592 ( -0.002 0.050 -0.157) 0.165 30.596 ( -0.025 -0.199 -0.306) 0.366 31.852 ( -0.031 0.033 2.968) 2.968 31.856 ( 0.092 -0.375 3.725) 3.745 31.917 ( 0.020 1.063 -3.612) 3.765 31.944 ( -0.119 -1.138 -5.217) 5.341 32.849 ( -0.564 2.595 1.552) 3.076 32.870 ( 1.484 1.520 -0.779) 2.263 32.906 ( -3.007 -0.472 0.929) 3.182 32.925 ( 4.741 -1.102 -1.000) 4.969 33.094 ( -2.364 -0.012 0.994) 2.564 33.098 ( 1.534 -0.323 0.555) 1.664 33.315 ( 0.974 -0.261 2.986) 3.152 33.358 ( -3.689 -4.020 -1.294) 5.607 33.611 ( -0.583 1.374 3.405) 3.718 33.641 ( 0.143 -1.288 2.317) 2.655 33.731 ( 0.726 2.201 -3.170) 3.927 33.772 ( 0.304 -1.297 -5.383) 5.546 34.213 ( -0.348 1.912 0.359) 1.976 34.243 ( -0.540 -0.541 -2.694) 2.801 34.578 ( 0.146 0.620 0.021) 0.638 34.594 ( 0.910 -0.625 -1.593) 1.938 36.394 ( 0.101 0.578 5.219) 5.251 36.406 ( -0.006 -0.358 3.971) 3.987 36.575 ( 0.136 0.923 6.613) 6.679 36.612 ( -0.555 -2.114 2.823) 3.571 37.632 ( 0.002 -0.313 -3.051) 3.068 37.645 ( -0.105 -1.280 -4.413) 4.596 37.699 ( 0.164 1.291 -3.833) 4.048 37.712 ( 0.281 0.164 -5.184) 5.194 ======================= Grid point 51 (33/36) ======================= q-point: ( 0.20 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -4.769 5.370 11.672) 13.705 1.373 ( -0.636 1.861 12.424) 12.578 1.487 ( -4.760 -5.994 -4.897) 9.087 1.559 ( 0.214 -8.783 2.753) 9.206 1.798 ( -0.286 10.273 -0.204) 10.279 1.889 ( -0.327 -0.369 -5.325) 5.347 1.975 ( -2.464 0.862 -5.458) 6.050 2.066 ( 2.702 -3.567 -4.088) 6.062 2.160 ( 6.411 3.933 -4.494) 8.761 2.213 ( 2.194 -2.523 -4.986) 6.003 2.391 ( 6.956 -0.404 -2.703) 7.474 2.417 ( 4.580 -1.124 -5.372) 7.148 2.433 ( -1.945 0.390 -3.997) 4.462 2.515 ( -1.245 4.359 0.343) 4.546 2.526 ( -0.675 -6.341 -0.396) 6.389 2.608 ( 0.751 -2.340 1.962) 3.144 2.685 ( -5.671 3.795 0.164) 6.825 2.787 ( 1.152 -2.152 -3.700) 4.433 2.810 ( 0.145 2.461 1.175) 2.731 2.853 ( 0.472 1.789 -0.688) 1.974 2.889 ( -2.478 -0.027 -0.924) 2.645 2.969 ( 0.150 -3.944 0.519) 3.981 3.007 ( -1.980 0.958 3.285) 3.953 3.017 ( -0.109 -1.080 0.041) 1.086 3.104 ( 2.339 3.368 0.343) 4.115 3.151 ( -4.349 1.790 -1.884) 5.066 3.187 ( -0.283 1.750 -1.170) 2.124 3.248 ( 0.936 -0.328 3.691) 3.822 3.262 ( -2.092 -2.363 -3.893) 5.011 3.292 ( -3.924 1.086 0.939) 4.178 3.353 ( -1.868 3.460 2.720) 4.781 3.400 ( -0.749 3.065 -7.809) 8.422 3.430 ( -1.682 -1.560 1.132) 2.558 3.478 ( -7.494 -2.785 2.842) 8.485 3.503 ( -7.008 0.518 -1.870) 7.272 3.550 ( -0.518 -4.806 0.998) 4.936 3.612 ( 1.742 -1.150 -3.774) 4.313 3.636 ( -0.058 -1.483 -3.523) 3.823 3.678 ( -0.532 -2.274 0.730) 2.447 3.695 ( -2.643 -0.571 -1.578) 3.131 3.808 ( 0.927 2.065 2.193) 3.152 3.821 ( 0.994 3.066 -0.822) 3.327 3.849 ( 1.950 -1.174 1.854) 2.936 3.879 ( -0.585 -1.083 -0.665) 1.399 3.974 ( 2.683 3.045 -1.172) 4.224 4.045 ( 1.420 -1.230 2.486) 3.116 4.068 ( 2.542 2.926 -0.841) 3.966 4.108 ( 1.270 2.087 3.086) 3.936 4.160 ( -3.524 0.725 0.953) 3.722 4.203 ( -2.274 -2.444 -0.158) 3.342 4.293 ( -0.503 0.520 1.886) 2.020 4.334 ( -0.865 -0.998 -0.250) 1.344 4.404 ( -1.969 1.831 1.527) 3.092 4.432 ( 1.049 1.197 0.057) 1.593 4.517 ( -0.921 1.213 3.612) 3.920 4.559 ( -0.098 2.515 -1.353) 2.858 4.599 ( -4.779 -2.852 1.007) 5.656 4.632 ( 0.434 0.785 -0.217) 0.923 4.680 ( -5.566 2.986 0.864) 6.375 4.698 ( -0.161 -2.914 1.884) 3.474 4.705 ( -1.672 -1.855 2.282) 3.383 4.775 ( 0.239 -1.944 -2.565) 3.227 4.853 ( -1.841 -2.058 0.842) 2.886 4.880 ( 2.339 -1.931 -0.481) 3.071 4.916 ( 2.466 3.277 3.265) 5.242 4.987 ( 0.300 -0.377 3.031) 3.069 5.012 ( -0.896 -0.583 0.334) 1.120 5.024 ( -0.205 -3.981 -0.305) 3.998 5.132 ( -1.304 3.573 3.442) 5.130 5.161 ( -2.114 0.665 0.973) 2.420 5.183 ( -2.395 0.000 -2.536) 3.488 5.244 ( -0.839 -2.770 -1.833) 3.426 5.426 ( -0.430 1.104 -0.421) 1.257 5.464 ( 0.427 -1.127 4.361) 4.525 5.678 ( 2.959 1.063 2.373) 3.939 5.699 ( 1.899 -0.080 2.978) 3.533 5.990 ( 2.172 1.166 -1.508) 2.890 6.061 ( -3.986 -3.217 -5.030) 7.179 6.068 ( 2.451 -0.589 -4.544) 5.197 6.106 ( 2.971 -1.904 2.386) 4.260 6.313 ( 6.206 0.763 3.706) 7.268 6.322 ( 9.698 -1.094 6.251) 11.590 6.401 ( -0.019 3.394 -2.737) 4.360 6.479 ( 3.490 -1.437 -3.127) 4.901 6.622 ( -0.004 4.471 -2.769) 5.259 6.691 ( 2.963 -0.561 -6.556) 7.217 6.809 ( -1.004 -0.823 -1.536) 2.012 6.830 ( 0.874 -2.123 -1.807) 2.922 7.107 ( -3.540 2.469 0.444) 4.339 7.167 ( -2.259 -1.419 -4.511) 5.241 7.266 ( 4.069 3.943 0.947) 5.745 7.343 ( 0.562 -2.012 4.240) 4.727 7.351 ( 3.930 3.578 -1.070) 5.421 7.453 ( -0.418 -3.407 -0.698) 3.503 7.485 ( 0.853 0.998 3.226) 3.483 7.530 ( 2.036 -2.837 -1.072) 3.653 7.595 ( 3.309 1.582 -0.111) 3.669 7.622 ( 2.215 2.908 -1.214) 3.852 7.647 ( 0.107 0.856 0.976) 1.302 7.671 ( 3.628 0.897 -0.285) 3.748 7.740 ( 2.253 5.430 0.002) 5.879 7.756 ( 3.272 2.344 -2.992) 5.015 7.785 ( 1.460 1.878 0.852) 2.527 7.857 ( -0.674 -3.836 -1.204) 4.077 7.950 ( 2.370 -0.066 -3.108) 3.909 7.959 ( 1.095 0.790 0.278) 1.378 8.027 ( -0.525 -1.825 3.816) 4.262 8.069 ( 1.190 1.625 -3.070) 3.672 8.121 ( 5.123 1.520 -6.415) 8.349 8.173 ( 4.927 1.611 1.565) 5.415 8.275 ( 4.343 2.369 2.419) 5.507 8.368 ( -2.523 0.995 0.218) 2.721 8.480 ( -2.802 -4.633 -1.502) 5.619 8.517 ( 3.134 -9.520 4.319) 10.914 8.662 ( -2.501 -0.204 -2.343) 3.433 8.705 ( -1.110 0.720 0.515) 1.419 8.857 ( -4.549 4.542 5.563) 8.501 8.936 ( 0.446 -4.987 2.919) 5.796 9.023 ( -6.512 1.002 -5.608) 8.652 9.129 ( -1.718 7.747 5.467) 9.636 9.214 ( -6.756 -6.992 -0.971) 9.771 9.219 ( 2.239 1.759 6.127) 6.756 9.314 ( 1.119 10.635 -0.510) 10.706 9.442 ( 0.459 -6.017 -0.723) 6.078 9.451 ( -3.934 -4.680 6.797) 9.142 9.649 ( -1.179 -12.644 2.862) 13.017 9.711 ( -0.465 2.805 7.100) 7.649 9.812 ( -0.464 -1.255 2.523) 2.856 10.010 ( -1.560 1.889 -5.950) 6.434 10.078 ( -2.063 -1.671 -1.699) 3.152 10.146 ( 1.968 5.875 1.654) 6.413 10.255 ( -4.210 -0.639 -0.678) 4.312 10.328 ( 0.151 4.668 -3.801) 6.022 10.394 ( 0.861 -2.330 -5.838) 6.345 10.658 ( -9.401 5.245 2.971) 11.168 10.822 ( -8.106 -6.504 -7.901) 13.054 11.049 ( 0.144 0.691 -1.388) 1.557 11.116 ( 4.778 -5.163 -0.465) 7.050 11.488 ( 1.522 5.898 -3.296) 6.926 11.548 ( 5.728 8.052 2.698) 10.243 11.623 ( -0.117 -5.321 -3.775) 6.525 11.714 ( 4.463 -5.326 1.624) 7.136 12.004 ( -5.492 4.673 1.464) 7.358 12.097 ( -4.508 -3.132 -1.630) 5.726 13.341 ( -0.395 0.563 -1.647) 1.785 13.352 ( -0.009 -0.283 -1.607) 1.631 13.484 ( -0.895 -0.194 -3.607) 3.722 13.488 ( -0.944 -0.419 -3.803) 3.940 13.985 ( -2.893 1.375 5.072) 5.999 14.017 ( -1.495 -1.222 5.265) 5.608 14.228 ( -0.725 0.648 6.750) 6.820 14.240 ( -1.245 -0.370 5.561) 5.711 15.033 ( 0.805 1.980 -2.416) 3.226 15.092 ( 0.741 -2.896 -3.213) 4.389 15.224 ( 3.669 0.859 -4.224) 5.661 15.251 ( 2.528 -1.153 -4.288) 5.110 15.530 ( 1.188 3.240 1.297) 3.687 15.557 ( 2.180 1.546 1.988) 3.331 15.927 ( 4.703 -0.981 7.028) 8.513 15.961 ( 3.192 -3.325 1.338) 4.800 17.101 ( -5.794 0.461 3.688) 6.884 17.109 ( -5.333 0.196 2.585) 5.929 17.130 ( -5.709 1.917 1.730) 6.266 17.199 ( -5.286 -3.016 -0.931) 6.156 17.447 ( -2.136 0.932 -3.715) 4.386 17.463 ( -5.130 0.272 0.057) 5.137 17.491 ( -3.518 -1.525 -2.471) 4.561 17.496 ( -3.006 -1.635 -0.146) 3.425 17.731 ( 4.869 1.405 1.001) 5.166 17.751 ( 5.370 -0.021 0.547) 5.398 17.762 ( 5.833 1.417 0.641) 6.037 17.777 ( 5.465 0.121 1.456) 5.657 19.387 ( 0.436 0.219 -0.228) 0.539 19.394 ( 0.552 -0.347 -0.174) 0.674 19.407 ( 0.569 0.470 -0.877) 1.146 19.414 ( 0.907 -0.095 -1.474) 1.733 19.648 ( 0.055 1.111 -4.055) 4.205 19.677 ( 0.139 -1.167 -5.415) 5.541 19.832 ( 1.867 0.055 -2.718) 3.298 19.837 ( 1.988 -0.272 -2.660) 3.332 20.328 ( -0.066 0.092 1.145) 1.151 20.331 ( -0.194 -0.125 1.016) 1.042 20.345 ( -0.300 0.077 -0.546) 0.628 20.346 ( -0.105 -0.049 -0.520) 0.533 21.019 ( -0.325 0.412 -0.703) 0.878 21.029 ( -0.256 -0.444 -1.536) 1.620 21.048 ( -0.038 0.416 -2.643) 2.676 21.055 ( -0.011 -0.181 -2.969) 2.975 22.029 ( -0.120 0.227 0.699) 0.745 22.035 ( -0.171 -0.249 0.787) 0.842 22.041 ( -0.130 0.297 -0.524) 0.616 22.049 ( -0.306 -0.354 -0.695) 0.837 23.636 ( 0.228 0.158 -0.050) 0.282 23.641 ( 0.279 -0.280 -0.446) 0.596 23.736 ( 0.509 0.339 0.217) 0.649 23.744 ( 0.466 -0.268 -0.370) 0.652 26.593 ( -4.572 0.015 -0.223) 4.578 26.594 ( -3.893 -0.086 -0.972) 4.013 26.657 ( -3.401 0.938 -0.521) 3.566 26.679 ( -2.858 -0.757 -1.251) 3.210 26.754 ( 2.053 0.329 2.734) 3.434 26.764 ( 2.367 -0.442 2.807) 3.698 26.816 ( 2.969 0.910 -2.842) 4.210 26.835 ( 2.951 -0.697 -3.105) 4.340 27.358 ( 0.807 0.727 4.330) 4.464 27.378 ( 0.853 -0.877 3.185) 3.412 27.416 ( 0.300 0.421 2.406) 2.461 27.424 ( 0.255 -0.244 1.646) 1.683 30.577 ( -0.148 0.196 0.662) 0.706 30.582 ( -0.239 -0.214 0.224) 0.392 30.588 ( -0.322 0.107 -0.248) 0.421 30.592 ( -0.269 -0.201 -0.394) 0.518 31.851 ( -0.043 0.174 2.829) 2.834 31.858 ( 0.082 -0.402 3.508) 3.532 31.914 ( -0.184 0.642 -3.387) 3.452 31.933 ( -0.784 -0.860 -4.621) 4.765 32.839 ( 0.546 0.748 0.757) 1.196 32.859 ( -0.309 -0.699 -0.162) 0.781 32.960 ( 2.648 4.950 0.371) 5.626 33.044 ( 3.571 -1.468 -0.110) 3.863 33.094 ( 3.967 0.753 -0.814) 4.119 33.155 ( 4.503 -3.528 -0.835) 5.781 33.269 ( -3.156 -0.146 0.190) 3.165 33.303 ( -1.668 -1.938 4.550) 5.219 33.584 ( -1.855 2.541 3.582) 4.767 33.637 ( -0.647 -2.034 3.439) 4.047 33.724 ( -1.292 2.111 -3.805) 4.539 33.768 ( -0.687 -1.541 -5.351) 5.611 34.218 ( 0.744 1.681 1.329) 2.268 34.259 ( 1.681 -1.607 -3.175) 3.936 34.599 ( 1.542 1.642 -1.279) 2.590 34.634 ( 2.436 -1.239 -3.700) 4.600 36.410 ( 1.255 0.428 5.235) 5.400 36.419 ( 1.108 -0.273 4.018) 4.176 36.578 ( 0.044 0.400 6.932) 6.944 36.598 ( -0.714 -1.232 3.823) 4.080 37.631 ( -0.046 -0.325 -3.205) 3.222 37.642 ( -0.206 -1.043 -4.178) 4.311 37.696 ( -0.367 1.425 -4.354) 4.596 37.716 ( 0.062 -0.307 -6.228) 6.236 ======================= Grid point 52 (34/36) ======================= q-point: ( 0.40 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 2.034 -0.166 5.220) 5.605 1.343 ( -1.282 -3.125 1.508) 3.699 1.452 ( 2.214 -0.356 -4.016) 4.599 1.546 ( -1.296 -5.268 -2.616) 6.022 1.823 ( 1.189 5.958 -3.376) 6.950 1.893 ( -0.980 -0.043 -5.545) 5.631 1.981 ( 5.563 4.800 -0.080) 7.348 2.119 ( 0.452 -3.324 -1.066) 3.520 2.211 ( -1.504 -0.685 -3.031) 3.453 2.231 ( -1.732 -1.539 -5.727) 6.178 2.353 ( -4.536 4.962 1.964) 7.004 2.443 ( -0.261 0.146 -6.397) 6.404 2.468 ( -6.132 0.032 0.840) 6.190 2.490 ( 1.722 -0.266 -7.488) 7.688 2.531 ( -0.683 -5.618 4.043) 6.955 2.591 ( 2.971 -6.275 -4.427) 8.234 2.708 ( 7.566 4.075 2.775) 9.030 2.781 ( 2.301 0.766 2.271) 3.322 2.821 ( 0.382 -2.346 -1.007) 2.581 2.839 ( 0.158 -0.610 -1.925) 2.026 2.906 ( 0.452 -0.085 0.128) 0.477 2.952 ( 0.894 -2.897 -1.166) 3.248 2.982 ( -1.655 1.706 0.312) 2.397 3.017 ( -6.672 1.215 -2.739) 7.314 3.054 ( 4.256 0.818 -2.072) 4.804 3.140 ( -2.558 -1.391 -1.492) 3.272 3.199 ( -3.040 2.242 0.570) 3.820 3.212 ( -5.412 3.570 1.457) 6.645 3.248 ( -0.065 1.968 -1.137) 2.274 3.269 ( 0.223 1.485 -1.126) 1.877 3.302 ( 3.933 1.096 -0.721) 4.146 3.331 ( -1.052 -1.829 2.295) 3.118 3.366 ( -1.310 1.765 -1.445) 2.630 3.394 ( -0.253 1.870 -1.055) 2.162 3.453 ( -0.571 3.808 -2.049) 4.362 3.506 ( -3.421 -0.622 -1.726) 3.882 3.602 ( -4.476 0.775 0.728) 4.600 3.636 ( 1.110 -4.005 3.498) 5.432 3.658 ( -0.192 -1.480 -4.850) 5.075 3.696 ( 1.888 -3.642 -3.823) 5.608 3.804 ( -2.424 0.792 -0.140) 2.554 3.823 ( -1.214 2.559 -2.834) 4.006 3.884 ( 1.114 -0.489 0.359) 1.268 3.891 ( 1.261 -1.127 -0.572) 1.785 4.025 ( 2.025 3.582 1.301) 4.315 4.076 ( 4.196 1.052 2.149) 4.830 4.109 ( -1.162 3.218 -0.666) 3.486 4.135 ( 4.670 -1.381 -0.645) 4.913 4.173 ( 1.143 -3.991 1.807) 4.527 4.199 ( 0.855 -1.466 -1.133) 2.041 4.228 ( -3.827 6.006 3.901) 8.120 4.274 ( -3.478 1.955 0.257) 3.998 4.342 ( -3.747 -0.510 -0.361) 3.799 4.385 ( -7.531 -1.739 0.766) 7.767 4.480 ( 3.470 1.939 1.135) 4.134 4.510 ( -1.088 0.043 4.013) 4.159 4.566 ( -1.083 4.451 4.862) 6.680 4.630 ( -0.339 -0.090 -0.685) 0.769 4.638 ( -0.916 2.050 -0.688) 2.349 4.666 ( -1.027 -1.490 0.350) 1.843 4.724 ( 1.482 -4.823 3.400) 6.085 4.811 ( -0.694 -5.266 0.034) 5.312 4.830 ( 2.458 0.341 0.488) 2.529 4.909 ( -0.276 -2.759 -0.959) 2.934 4.966 ( 0.868 1.624 3.765) 4.191 4.995 ( 1.537 -1.021 5.414) 5.720 5.017 ( 1.765 -3.255 1.848) 4.138 5.043 ( 3.084 -2.289 3.295) 5.061 5.099 ( -2.418 0.759 0.410) 2.567 5.109 ( -1.664 -0.551 -3.435) 3.856 5.161 ( -0.039 1.602 -4.644) 4.913 5.224 ( -2.079 -3.208 -3.266) 5.028 5.407 ( -0.805 2.919 4.410) 5.349 5.449 ( -1.167 -0.277 5.214) 5.350 5.685 ( -1.871 2.753 5.784) 6.674 5.730 ( 0.735 -1.269 0.571) 1.573 5.984 ( -3.104 -0.015 -4.597) 5.546 6.006 ( 1.473 -1.977 -9.266) 9.589 6.136 ( 3.189 3.183 -2.590) 5.197 6.206 ( 2.066 -2.142 -4.065) 5.038 6.391 ( 2.271 3.244 2.025) 4.448 6.469 ( 3.529 0.362 3.430) 4.935 6.499 ( 4.773 -1.146 -1.394) 5.102 6.530 ( 1.133 -3.906 1.318) 4.275 6.638 ( 2.944 3.279 3.902) 5.886 6.731 ( 0.747 -3.173 -0.342) 3.278 6.796 ( 0.127 2.476 -2.319) 3.395 6.840 ( 0.162 -0.070 -2.071) 2.078 7.081 ( 0.991 1.329 1.306) 2.110 7.138 ( -0.005 -2.577 -3.580) 4.411 7.250 ( -3.788 3.658 -1.952) 5.616 7.285 ( -5.472 -0.824 0.899) 5.607 7.409 ( 0.930 1.884 -1.269) 2.455 7.471 ( 0.426 -2.434 -1.681) 2.988 7.557 ( 1.702 1.355 3.475) 4.100 7.565 ( 2.326 0.358 3.568) 4.274 7.614 ( 0.522 2.056 1.579) 2.644 7.644 ( 1.384 2.347 -2.138) 3.464 7.667 ( 2.489 3.304 1.227) 4.315 7.731 ( -3.155 1.260 3.139) 4.625 7.784 ( 5.274 2.682 -1.944) 6.228 7.818 ( 4.706 0.590 -0.762) 4.803 7.874 ( 0.947 -1.836 0.549) 2.138 7.908 ( 1.442 -3.254 1.232) 3.766 7.947 ( -0.137 -1.847 1.396) 2.320 7.957 ( -2.821 -0.785 -1.565) 3.320 8.019 ( -0.251 2.000 -1.532) 2.531 8.065 ( -0.057 0.206 -6.341) 6.344 8.238 ( 2.191 8.398 -0.001) 8.679 8.260 ( 2.899 4.019 -2.509) 5.554 8.328 ( -0.289 0.204 0.278) 0.450 8.340 ( 1.375 0.593 -0.625) 1.623 8.495 ( 5.069 -3.906 -2.691) 6.942 8.535 ( -1.076 -1.609 1.941) 2.741 8.576 ( -3.710 -5.422 1.350) 6.707 8.648 ( -2.525 -13.585 -3.342) 14.216 8.825 ( -0.510 5.770 5.297) 7.849 8.905 ( -0.871 3.712 -3.102) 4.915 8.938 ( -0.459 -3.988 3.542) 5.353 9.051 ( -5.413 -2.586 -2.558) 6.521 9.162 ( 3.182 4.097 8.178) 9.684 9.284 ( 0.162 -6.265 9.875) 11.696 9.323 ( -0.496 7.169 0.188) 7.188 9.427 ( -0.520 -5.325 -0.562) 5.380 9.491 ( 6.304 -0.153 5.832) 8.589 9.683 ( 4.814 -8.737 7.426) 12.436 9.718 ( 1.038 7.000 2.282) 7.436 9.827 ( 2.835 2.300 2.820) 4.614 9.971 ( -5.413 -0.853 0.066) 5.481 9.999 ( -4.351 -3.967 -1.982) 6.212 10.059 ( -7.839 4.601 -2.702) 9.483 10.192 ( -5.348 -4.015 1.964) 6.970 10.272 ( 0.015 9.297 -6.632) 11.420 10.434 ( 4.367 -3.664 0.616) 5.734 10.484 ( -5.918 3.969 -4.219) 8.280 10.623 ( -8.321 -3.761 -7.603) 11.882 11.051 ( 0.208 2.037 -0.555) 2.121 11.155 ( -2.114 -5.818 -5.048) 7.987 11.538 ( 3.233 4.523 -3.435) 6.535 11.591 ( -0.797 2.842 -0.413) 2.980 11.725 ( 6.410 -1.982 -0.866) 6.765 11.783 ( 1.108 -3.742 1.261) 4.101 11.942 ( 0.764 3.465 1.362) 3.801 12.002 ( -3.613 -1.788 -0.510) 4.063 13.341 ( 0.429 0.574 -1.603) 1.756 13.352 ( -0.104 -0.250 -1.687) 1.708 13.459 ( -1.171 -0.217 -2.821) 3.062 13.461 ( -1.049 -0.313 -3.364) 3.537 13.934 ( -1.374 1.564 5.725) 6.092 13.971 ( -2.286 -1.388 4.101) 4.896 14.209 ( -0.822 0.186 5.461) 5.525 14.213 ( -1.035 -0.124 5.164) 5.268 15.087 ( 3.350 1.983 -2.670) 4.721 15.134 ( 2.094 -1.725 -4.857) 5.564 15.280 ( 0.726 0.436 -2.665) 2.797 15.289 ( 1.427 -0.167 -3.971) 4.223 15.546 ( 0.400 2.625 1.776) 3.195 15.574 ( -0.860 0.568 1.746) 2.027 16.013 ( 2.525 -0.824 7.303) 7.771 16.032 ( 2.658 -2.072 3.978) 5.214 16.995 ( -3.309 0.768 2.917) 4.477 17.018 ( -2.035 -1.017 2.821) 3.624 17.036 ( -2.106 2.196 -2.243) 3.780 17.097 ( -3.405 -2.565 -2.595) 4.991 17.376 ( -2.829 0.341 1.824) 3.383 17.399 ( -2.298 -1.567 -0.410) 2.812 17.446 ( -0.175 0.429 -1.877) 1.934 17.472 ( -0.490 -1.696 -3.510) 3.928 17.804 ( 1.899 0.985 2.582) 3.353 17.819 ( 1.223 -0.261 2.116) 2.458 17.858 ( 2.799 1.262 1.000) 3.229 17.866 ( 2.469 0.702 0.765) 2.678 19.396 ( 0.310 0.290 -0.175) 0.459 19.402 ( 0.170 -0.202 -0.485) 0.553 19.420 ( 0.613 0.486 -0.163) 0.798 19.434 ( 0.643 -0.560 -1.108) 1.398 19.649 ( -0.031 1.098 -4.799) 4.923 19.668 ( -0.926 -0.334 -5.668) 5.753 19.871 ( 1.367 -0.280 -2.766) 3.098 19.875 ( 1.302 -0.507 -3.081) 3.383 20.326 ( -0.192 0.044 0.862) 0.884 20.328 ( -0.059 -0.096 1.016) 1.023 20.340 ( -0.130 0.217 -0.329) 0.415 20.345 ( -0.035 -0.169 -0.467) 0.498 21.013 ( -0.173 0.440 -1.088) 1.186 21.023 ( -0.201 -0.329 -2.034) 2.070 21.049 ( 0.066 0.224 -2.180) 2.192 21.055 ( -0.027 -0.195 -2.618) 2.625 22.027 ( -0.089 0.185 0.671) 0.702 22.031 ( -0.129 -0.211 0.638) 0.684 22.039 ( -0.057 0.203 -0.471) 0.516 22.044 ( -0.144 -0.203 -0.539) 0.594 23.640 ( 0.120 0.172 0.123) 0.243 23.645 ( 0.090 -0.287 -0.364) 0.472 23.747 ( 0.410 0.241 0.069) 0.480 23.752 ( 0.275 -0.189 -0.369) 0.498 26.519 ( -2.049 0.494 0.431) 2.151 26.534 ( -1.518 -0.677 -0.976) 1.927 26.606 ( -1.270 1.020 -0.861) 1.842 26.631 ( -1.479 -1.000 -2.475) 3.052 26.785 ( 0.892 0.606 3.624) 3.781 26.800 ( 1.027 -0.560 3.855) 4.029 26.858 ( 1.067 0.950 -3.548) 3.825 26.879 ( 1.164 -0.736 -3.947) 4.180 27.373 ( 0.408 0.750 4.254) 4.339 27.392 ( 0.296 -0.744 3.256) 3.353 27.421 ( 0.096 0.442 2.362) 2.405 27.432 ( 0.406 -0.450 1.625) 1.734 30.573 ( -0.202 0.146 0.692) 0.736 30.577 ( -0.208 -0.177 0.646) 0.702 30.583 ( -0.076 0.164 -0.586) 0.613 30.588 ( -0.140 -0.177 -0.506) 0.554 31.851 ( 0.019 0.202 2.629) 2.636 31.859 ( -0.026 -0.457 3.025) 3.060 31.910 ( -0.247 0.288 -3.142) 3.165 31.920 ( -0.181 -0.555 -3.635) 3.682 32.855 ( 0.421 0.770 1.935) 2.125 32.868 ( 0.616 -0.264 0.204) 0.700 32.982 ( 1.072 1.130 0.704) 1.709 33.011 ( -3.481 -1.017 3.175) 4.820 33.236 ( 4.166 0.855 -1.663) 4.567 33.248 ( 1.646 0.535 1.373) 2.209 33.257 ( -2.413 -0.459 3.087) 3.945 33.279 ( 5.321 -1.651 -7.200) 9.104 33.557 ( -0.067 2.923 4.066) 5.008 33.621 ( -0.608 -2.131 4.536) 5.048 33.683 ( -2.302 2.642 -3.169) 4.725 33.747 ( -1.047 -2.341 -4.814) 5.454 34.235 ( 0.670 1.898 1.676) 2.620 34.295 ( 1.468 -3.022 -4.933) 5.968 34.627 ( 0.816 2.008 -1.701) 2.755 34.670 ( 0.535 -1.520 -5.273) 5.514 36.434 ( 0.674 0.328 5.279) 5.332 36.441 ( 0.734 -0.252 4.282) 4.352 36.576 ( -0.192 0.283 6.832) 6.840 36.589 ( 0.054 -0.793 4.903) 4.967 37.631 ( 0.098 -0.240 -3.424) 3.434 37.638 ( -0.082 -0.646 -4.062) 4.114 37.688 ( -0.359 1.409 -4.635) 4.858 37.714 ( -0.290 -0.785 -7.171) 7.219 ======================= Grid point 53 (35/36) ======================= q-point: (-0.40 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.967 -2.814 -0.241) 2.985 1.371 ( 1.921 -6.970 -0.029) 7.230 1.520 ( 2.911 0.965 -4.593) 5.523 1.537 ( 1.581 -0.963 -3.880) 4.299 1.819 ( -2.140 4.172 -1.679) 4.980 1.869 ( 0.619 1.215 -5.986) 6.139 2.027 ( -6.999 5.709 -3.447) 9.667 2.108 ( 0.392 -0.169 -2.129) 2.171 2.173 ( -3.860 0.106 -1.475) 4.134 2.216 ( 3.181 -0.853 4.651) 5.700 2.282 ( 2.143 1.660 -1.262) 2.990 2.391 ( -0.514 -1.631 2.581) 3.096 2.434 ( -0.711 -0.343 -3.495) 3.583 2.514 ( -0.025 -8.995 -0.404) 9.005 2.574 ( 4.434 2.661 -7.563) 9.162 2.689 ( 4.091 -6.151 -5.467) 9.190 2.757 ( -2.747 1.183 -1.904) 3.546 2.799 ( -4.673 4.033 -0.022) 6.173 2.818 ( -3.710 -1.167 -0.811) 3.973 2.843 ( 3.053 0.260 1.618) 3.465 2.875 ( -2.019 0.404 -1.951) 2.837 2.904 ( 2.296 -1.648 0.616) 2.893 3.016 ( 2.037 -0.177 -2.330) 3.100 3.032 ( 6.473 1.512 -4.520) 8.039 3.071 ( -4.445 0.582 -1.117) 4.620 3.117 ( 2.131 -0.971 -0.301) 2.361 3.204 ( 2.445 2.843 1.242) 3.950 3.236 ( 5.331 2.593 -1.065) 6.023 3.248 ( 3.317 0.173 0.183) 3.326 3.256 ( -2.895 -1.110 -1.322) 3.371 3.299 ( -1.165 1.794 -0.490) 2.195 3.327 ( -3.341 6.049 -0.353) 6.919 3.356 ( 0.241 -1.537 -0.308) 1.585 3.386 ( 1.250 -0.180 -0.954) 1.583 3.488 ( 2.219 -0.367 -2.157) 3.116 3.522 ( 5.232 1.804 -2.011) 5.889 3.560 ( 1.396 -0.281 3.087) 3.399 3.639 ( -2.287 -3.453 1.032) 4.268 3.664 ( 0.676 1.057 -3.389) 3.614 3.717 ( -0.536 -2.929 -4.391) 5.305 3.764 ( 2.539 5.183 1.254) 5.906 3.828 ( 1.099 0.707 -1.498) 1.988 3.869 ( -2.180 -2.342 0.061) 3.200 3.913 ( 0.998 -2.844 -1.198) 3.243 4.015 ( -4.708 3.044 0.801) 5.663 4.063 ( -5.964 -1.063 4.356) 7.461 4.086 ( 3.155 3.209 1.226) 4.664 4.128 ( -2.776 1.121 -0.044) 2.994 4.172 ( 0.328 -1.455 1.095) 1.850 4.208 ( -0.719 -3.308 -0.929) 3.511 4.289 ( 3.751 3.158 -1.831) 5.234 4.305 ( 7.333 3.554 0.165) 8.150 4.333 ( 2.349 0.244 -3.056) 3.862 4.388 ( 6.227 -3.047 0.743) 6.972 4.456 ( -3.726 4.209 3.191) 6.464 4.524 ( -0.949 -0.566 3.408) 3.583 4.560 ( 1.790 4.588 4.436) 6.628 4.600 ( -0.376 -0.344 1.000) 1.123 4.630 ( 0.246 -1.530 1.666) 2.276 4.675 ( 0.951 1.832 -1.398) 2.492 4.736 ( -1.364 -6.535 5.700) 8.778 4.761 ( -1.933 -1.980 -0.021) 2.767 4.879 ( 1.118 -1.828 2.375) 3.198 4.895 ( -0.497 -2.674 -4.791) 5.509 4.985 ( 1.799 2.103 3.575) 4.521 5.040 ( 0.148 0.209 1.075) 1.105 5.046 ( 0.585 -1.508 1.713) 2.356 5.082 ( -0.960 0.407 1.865) 2.136 5.100 ( 2.277 -3.089 4.247) 5.723 5.111 ( 1.365 -0.786 -4.817) 5.068 5.154 ( 0.589 -0.762 -5.654) 5.736 5.170 ( -0.776 -1.978 -6.409) 6.752 5.412 ( 1.165 1.741 6.555) 6.882 5.441 ( 0.727 -0.097 5.987) 6.032 5.624 ( -3.711 4.601 7.820) 9.803 5.714 ( -2.378 -3.345 3.356) 5.302 5.923 ( -3.147 4.610 -0.576) 5.611 6.046 ( 1.328 -5.534 -7.261) 9.225 6.175 ( -0.237 1.882 -8.039) 8.260 6.205 ( 0.411 0.292 -5.384) 5.407 6.417 ( -2.831 -1.170 4.753) 5.655 6.435 ( -3.933 -1.713 1.624) 4.587 6.519 ( 0.818 -0.103 -2.853) 2.970 6.547 ( -0.641 -1.602 -1.436) 2.245 6.671 ( -0.978 3.066 1.975) 3.776 6.744 ( -2.803 -1.029 -0.077) 2.987 6.811 ( 2.054 2.691 -5.201) 6.206 6.882 ( 2.034 -1.181 -5.109) 5.625 7.039 ( -5.579 0.735 3.771) 6.774 7.055 ( -3.969 0.820 2.468) 4.745 7.253 ( 3.588 2.668 -0.244) 4.478 7.292 ( 6.700 -0.989 1.147) 6.869 7.387 ( -4.570 0.726 0.974) 4.729 7.438 ( -0.994 -1.652 2.470) 3.134 7.532 ( -2.019 4.261 3.805) 6.059 7.585 ( -0.537 0.782 1.296) 1.606 7.622 ( -1.431 0.917 0.377) 1.741 7.647 ( -3.688 -2.369 -0.527) 4.415 7.675 ( 0.283 3.317 0.481) 3.363 7.756 ( -4.401 1.366 1.827) 4.957 7.763 ( 0.366 -0.364 -0.541) 0.748 7.793 ( 0.294 0.090 3.047) 3.062 7.846 ( -5.320 2.078 -0.233) 5.716 7.882 ( -5.310 1.311 2.667) 6.085 7.920 ( 0.551 1.700 0.604) 1.887 7.951 ( 1.218 -3.578 -1.019) 3.914 8.054 ( -1.964 -0.156 -1.923) 2.753 8.121 ( 1.984 -2.895 -9.566) 10.189 8.129 ( -5.534 8.023 3.952) 10.518 8.286 ( 1.151 2.384 2.739) 3.809 8.339 ( -3.440 0.636 -2.583) 4.349 8.364 ( 1.912 -2.139 -0.881) 3.001 8.445 ( -4.705 -1.219 1.597) 5.116 8.552 ( 2.959 0.161 -0.926) 3.104 8.622 ( 4.905 -12.184 -2.321) 13.337 8.690 ( 3.215 -6.331 -7.547) 10.362 8.801 ( -0.408 7.436 4.006) 8.456 8.940 ( 3.067 6.119 -2.720) 7.365 8.959 ( 2.683 -5.134 0.963) 5.873 9.072 ( 6.199 -3.412 -3.426) 7.862 9.225 ( 1.975 2.693 8.763) 9.378 9.235 ( -3.993 3.561 3.573) 6.434 9.324 ( -0.031 -5.412 5.704) 7.863 9.400 ( 0.591 -8.616 1.825) 8.827 9.543 ( -7.749 6.175 0.534) 9.923 9.694 ( 6.240 3.459 3.720) 8.046 9.767 ( -5.405 3.320 2.102) 6.683 9.866 ( 0.905 -1.006 1.853) 2.295 9.953 ( 4.011 -2.481 -0.987) 4.818 9.962 ( 2.871 -3.321 -0.553) 4.424 10.025 ( -0.019 -2.846 1.222) 3.098 10.071 ( 3.934 -2.757 5.133) 7.031 10.303 ( -1.548 8.824 1.042) 9.019 10.429 ( -2.986 1.233 -8.912) 9.479 10.529 ( 4.283 -0.793 -4.276) 6.104 10.567 ( 7.416 -1.757 -0.017) 7.621 11.030 ( -3.810 0.566 2.310) 4.491 11.089 ( -0.963 -2.611 -0.075) 2.784 11.515 ( -4.333 4.903 -1.214) 6.655 11.629 ( 2.162 -2.186 -2.627) 4.044 11.733 ( -4.068 1.131 -1.609) 4.519 11.829 ( 2.393 -5.234 -3.530) 6.752 11.978 ( 1.749 3.055 -1.882) 3.992 12.017 ( 4.881 0.140 -2.441) 5.459 13.344 ( -0.391 0.427 -1.900) 1.986 13.351 ( 0.274 -0.071 -1.651) 1.675 13.446 ( 0.008 0.232 -1.932) 1.946 13.458 ( 0.622 -0.775 -2.539) 2.726 13.945 ( 2.203 0.337 6.250) 6.635 13.951 ( 1.036 -0.046 4.566) 4.683 14.199 ( -0.100 0.197 6.120) 6.124 14.205 ( 0.229 -0.265 5.604) 5.615 15.133 ( 0.482 0.596 -4.894) 4.954 15.138 ( -1.626 0.266 -7.381) 7.563 15.260 ( -2.342 1.207 -1.360) 2.965 15.291 ( -1.496 -1.316 -3.292) 3.848 15.525 ( -2.526 2.379 3.703) 5.074 15.561 ( 0.304 -0.106 2.922) 2.939 16.007 ( -2.935 0.532 6.453) 7.109 16.052 ( -1.084 -2.756 3.526) 4.605 16.988 ( 2.712 1.985 1.975) 3.898 17.040 ( 3.700 -2.096 2.304) 4.836 17.067 ( 4.963 0.747 -3.685) 6.227 17.091 ( 3.139 -1.104 -3.699) 4.976 17.348 ( 0.111 0.800 3.032) 3.138 17.380 ( 0.607 -2.010 2.021) 2.914 17.458 ( 1.164 0.118 -2.655) 2.901 17.476 ( 0.956 -1.521 -3.195) 3.666 17.801 ( -2.518 0.349 2.912) 3.866 17.805 ( -2.248 0.089 2.970) 3.726 17.865 ( -2.179 1.550 0.523) 2.725 17.876 ( -1.540 0.620 0.256) 1.680 19.398 ( -0.125 0.161 -0.187) 0.277 19.401 ( -0.256 -0.022 -0.558) 0.615 19.425 ( -0.311 0.346 -0.251) 0.529 19.437 ( -0.339 -0.540 -1.627) 1.747 19.644 ( -0.537 0.439 -3.917) 3.978 19.646 ( -0.639 0.326 -4.254) 4.314 19.875 ( -0.974 -0.107 -3.211) 3.357 19.882 ( -0.720 -0.650 -3.708) 3.832 20.324 ( 0.032 0.163 1.027) 1.040 20.328 ( 0.116 -0.185 0.896) 0.922 20.340 ( 0.116 0.241 -0.251) 0.366 20.345 ( 0.111 -0.217 -0.543) 0.595 21.013 ( 0.174 0.420 -1.176) 1.260 21.023 ( 0.222 -0.424 -1.938) 1.996 21.050 ( -0.001 0.276 -2.263) 2.280 21.055 ( 0.041 -0.146 -2.642) 2.646 22.026 ( 0.061 0.179 0.682) 0.707 22.031 ( 0.082 -0.201 0.648) 0.683 22.039 ( 0.078 0.211 -0.475) 0.526 22.045 ( 0.183 -0.216 -0.535) 0.606 23.639 ( -0.165 0.136 0.249) 0.328 23.644 ( -0.232 -0.222 -0.269) 0.419 23.749 ( -0.237 0.143 -0.029) 0.278 23.752 ( -0.282 -0.114 -0.467) 0.558 26.515 ( 1.618 0.787 0.635) 1.908 26.536 ( 1.662 -0.899 -0.929) 2.106 26.610 ( 1.607 0.506 -0.598) 1.787 26.623 ( 0.783 -0.550 -2.261) 2.455 26.790 ( -0.487 0.714 3.293) 3.405 26.806 ( -0.441 -0.558 3.453) 3.525 26.860 ( -0.880 0.872 -3.958) 4.147 26.881 ( -1.042 -0.774 -4.351) 4.540 27.371 ( -0.571 0.605 4.521) 4.597 27.387 ( -0.724 -0.667 3.653) 3.783 27.419 ( -0.271 0.760 2.239) 2.380 27.437 ( -0.019 -0.704 1.570) 1.721 30.570 ( 0.031 0.212 0.719) 0.751 30.576 ( 0.147 -0.233 0.686) 0.739 30.585 ( 0.186 0.111 -0.554) 0.595 30.588 ( 0.166 -0.130 -0.491) 0.534 31.852 ( 0.095 0.053 2.804) 2.806 31.857 ( -0.139 -0.355 2.830) 2.856 31.907 ( 0.036 0.602 -3.076) 3.134 31.924 ( 0.482 -0.846 -3.725) 3.850 32.847 ( -0.826 0.442 2.450) 2.623 32.860 ( -1.468 -0.715 1.492) 2.212 32.972 ( -0.019 3.164 1.735) 3.609 33.041 ( 3.783 -2.510 0.537) 4.571 33.160 ( -5.578 0.392 3.036) 6.363 33.177 ( -4.968 -0.957 3.059) 5.912 33.326 ( -0.010 1.895 -5.084) 5.425 33.369 ( 2.966 -1.580 -7.131) 7.884 33.582 ( 1.761 1.769 4.205) 4.890 33.616 ( 0.326 0.112 2.106) 2.134 33.661 ( 0.780 2.015 -0.222) 2.172 33.738 ( 0.395 -3.074 -4.489) 5.455 34.239 ( -0.283 2.379 0.943) 2.575 34.308 ( -0.419 -3.163 -5.987) 6.784 34.624 ( -1.057 1.288 -0.697) 1.806 34.652 ( -1.983 -1.030 -4.206) 4.763 36.430 ( -0.912 0.501 5.377) 5.476 36.442 ( -0.717 -0.378 4.417) 4.491 36.573 ( -0.053 0.793 6.423) 6.472 36.601 ( 0.882 -1.457 4.526) 4.836 37.633 ( -0.028 -0.121 -3.628) 3.630 37.641 ( 0.323 -0.654 -4.137) 4.200 37.684 ( 0.074 1.271 -4.226) 4.413 37.707 ( -0.215 -0.696 -6.744) 6.783 ======================= Grid point 54 (36/36) ======================= q-point: (-0.20 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 1.285 -2.555 8.187) 8.672 1.394 ( 2.037 -5.091 1.252) 5.625 1.554 ( -0.473 1.831 3.653) 4.114 1.611 ( 3.408 -2.679 -5.772) 7.218 1.818 ( 3.388 4.447 2.170) 5.997 1.877 ( 0.067 -0.206 -6.467) 6.471 1.952 ( 1.360 5.371 -7.369) 9.220 2.046 ( -2.762 -2.046 -7.088) 7.877 2.085 ( -4.615 3.414 4.604) 7.359 2.218 ( -4.340 -3.432 -3.296) 6.440 2.342 ( -0.759 0.783 -1.857) 2.153 2.380 ( -2.533 0.067 -0.949) 2.706 2.440 ( 2.529 1.788 -3.041) 4.340 2.516 ( 1.238 -4.372 -0.141) 4.546 2.620 ( -1.835 3.479 -8.907) 9.737 2.696 ( -0.956 2.974 -3.176) 4.455 2.717 ( -2.282 -0.938 -0.300) 2.485 2.736 ( 0.454 -2.653 -3.198) 4.180 2.788 ( -3.033 0.258 3.217) 4.429 2.836 ( 1.893 -1.559 0.398) 2.484 2.917 ( 0.592 0.941 -1.655) 1.994 2.990 ( 3.576 0.566 -2.577) 4.444 2.995 ( -6.648 1.357 2.150) 7.117 3.082 ( 5.048 1.795 2.061) 5.741 3.089 ( 2.884 -0.668 -3.002) 4.216 3.135 ( 3.767 0.217 2.159) 4.347 3.154 ( -0.841 -1.815 -3.531) 4.059 3.197 ( 0.051 -0.977 2.279) 2.480 3.276 ( -1.293 3.263 1.351) 3.761 3.310 ( 1.612 0.195 0.709) 1.772 3.338 ( 3.218 -0.931 -2.699) 4.302 3.384 ( 2.483 -0.816 -1.550) 3.038 3.474 ( 6.566 1.081 0.206) 6.658 3.479 ( 3.534 -0.693 1.101) 3.765 3.522 ( 0.888 -0.406 -4.050) 4.166 3.557 ( -1.558 -1.507 0.563) 2.239 3.584 ( 2.825 -0.743 1.400) 3.239 3.619 ( 2.307 -3.460 -1.443) 4.402 3.699 ( 3.060 -0.167 -1.763) 3.535 3.710 ( 0.723 0.005 -3.502) 3.576 3.796 ( -1.554 1.845 1.410) 2.794 3.843 ( -1.431 -0.032 0.107) 1.435 3.855 ( 0.947 0.180 -0.547) 1.108 3.879 ( -2.548 -0.489 -0.812) 2.719 3.938 ( -0.550 4.117 2.021) 4.619 4.061 ( -2.157 3.634 0.374) 4.242 4.081 ( 0.524 -2.886 -0.228) 2.942 4.132 ( -1.292 1.701 1.076) 2.392 4.163 ( 0.671 -4.317 -0.530) 4.401 4.173 ( 1.709 0.042 1.599) 2.340 4.333 ( -3.239 0.971 -1.638) 3.757 4.347 ( 0.565 0.728 -2.558) 2.719 4.403 ( 2.474 1.888 0.824) 3.219 4.444 ( 1.288 -0.814 -0.019) 1.523 4.505 ( 2.682 -0.405 3.139) 4.149 4.526 ( 3.631 0.401 2.231) 4.280 4.601 ( -1.297 0.725 2.063) 2.542 4.625 ( 1.533 2.665 -0.884) 3.199 4.645 ( 3.033 -0.016 3.224) 4.427 4.695 ( 1.208 2.005 3.763) 4.431 4.718 ( 2.308 -0.732 -0.240) 2.433 4.750 ( 0.216 -4.097 0.571) 4.142 4.863 ( -1.345 -0.206 0.052) 1.362 4.905 ( 1.054 -2.009 -3.486) 4.160 4.988 ( -4.888 0.818 -0.773) 5.016 5.006 ( -1.021 1.204 0.664) 1.713 5.053 ( -0.380 -2.489 -1.181) 2.781 5.078 ( -1.822 -2.173 -1.977) 3.457 5.098 ( 4.155 0.773 0.729) 4.289 5.161 ( 3.469 -3.089 2.398) 5.227 5.202 ( 1.961 1.280 -3.261) 4.015 5.212 ( 2.684 -0.001 -3.413) 4.342 5.423 ( -1.490 3.732 0.430) 4.041 5.478 ( 2.154 -1.159 3.410) 4.196 5.568 ( 0.112 1.724 12.709) 12.826 5.634 ( -4.616 -3.355 7.891) 9.738 5.856 ( -2.275 5.340 6.047) 8.382 6.014 ( -3.225 -8.112 1.735) 8.901 6.167 ( -0.509 1.884 -9.479) 9.677 6.230 ( 0.925 -2.985 -8.629) 9.178 6.336 ( -3.912 0.942 2.797) 4.900 6.357 ( -2.298 -0.744 2.934) 3.801 6.476 ( -5.277 0.271 -8.071) 9.647 6.499 ( -6.308 -1.469 -6.672) 9.298 6.635 ( -4.249 4.743 -2.144) 6.719 6.657 ( -2.252 1.803 -6.569) 7.175 6.782 ( -0.134 0.446 0.525) 0.702 6.819 ( -2.563 -3.063 -0.887) 4.091 7.069 ( 4.057 0.534 3.886) 5.643 7.089 ( 4.727 0.612 2.100) 5.208 7.290 ( -3.949 1.330 1.062) 4.301 7.324 ( 0.276 4.755 2.890) 5.571 7.395 ( 1.960 -2.439 0.894) 3.255 7.438 ( 3.351 -2.163 -0.317) 4.001 7.477 ( -3.167 1.224 0.556) 3.441 7.495 ( -8.201 -0.593 1.064) 8.291 7.595 ( 1.631 2.449 -0.588) 3.000 7.624 ( 0.066 1.331 0.027) 1.333 7.636 ( -3.070 2.881 2.545) 4.920 7.688 ( -2.415 -1.411 1.187) 3.038 7.719 ( -3.627 2.874 -2.224) 5.134 7.739 ( -2.447 5.313 -0.418) 5.864 7.797 ( -0.467 1.382 2.301) 2.724 7.817 ( -3.174 -3.641 0.624) 4.870 7.880 ( -2.685 1.742 3.343) 4.628 7.943 ( -0.265 0.195 2.486) 2.507 7.979 ( 1.256 3.957 1.455) 4.399 8.074 ( -0.655 -6.851 0.138) 6.884 8.122 ( -3.173 0.437 -2.338) 3.965 8.211 ( -6.092 -2.316 -2.600) 7.017 8.327 ( -0.017 4.568 -0.984) 4.673 8.349 ( -0.615 1.469 -1.232) 2.014 8.435 ( 0.201 -5.215 3.029) 6.034 8.608 ( -1.787 -10.128 -3.131) 10.750 8.655 ( 2.976 3.672 -2.584) 5.387 8.722 ( -0.952 -0.488 0.223) 1.093 8.910 ( 8.875 6.511 3.338) 11.502 8.951 ( -3.088 1.662 -2.942) 4.578 9.008 ( 0.472 -6.486 -3.981) 7.625 9.160 ( 0.042 10.832 4.991) 11.927 9.205 ( 2.654 -7.187 0.612) 7.686 9.255 ( 1.605 7.107 3.367) 8.027 9.304 ( 2.801 3.864 -3.373) 5.844 9.451 ( -0.792 -4.826 -0.279) 4.899 9.507 ( 5.839 -8.381 4.177) 11.035 9.668 ( -3.182 -6.565 -1.118) 7.381 9.817 ( 4.639 -2.293 1.308) 5.338 9.876 ( -1.921 -1.657 -6.210) 6.709 9.925 ( 1.800 2.726 -0.420) 3.294 10.000 ( -0.294 -3.919 3.700) 5.398 10.136 ( 3.403 5.722 4.588) 8.085 10.195 ( 6.668 1.387 8.198) 10.658 10.263 ( -1.831 3.529 0.441) 4.000 10.352 ( -2.410 -1.657 -5.130) 5.905 10.715 ( 9.306 -0.186 -2.261) 9.579 10.737 ( 7.927 -1.265 1.512) 8.168 10.974 ( -0.211 2.036 5.051) 5.450 11.073 ( -1.717 -5.286 5.141) 7.571 11.433 ( -2.570 7.725 -0.049) 8.141 11.591 ( -3.548 -4.731 -0.065) 5.914 11.657 ( -3.679 6.104 -6.838) 9.877 11.823 ( -3.213 -7.244 -7.859) 11.161 12.067 ( 5.636 2.898 -4.608) 7.836 12.109 ( 3.075 -0.121 -3.371) 4.565 13.344 ( 0.302 0.533 -1.853) 1.952 13.353 ( 0.006 -0.213 -1.715) 1.728 13.456 ( 0.955 0.427 -1.089) 1.510 13.476 ( 0.892 -1.085 -2.108) 2.533 13.990 ( 2.443 1.281 4.858) 5.586 14.019 ( 3.068 -0.954 5.286) 6.186 14.206 ( 0.818 0.604 8.188) 8.251 14.219 ( 1.153 -0.453 6.895) 7.005 15.095 ( -1.072 1.268 -8.144) 8.311 15.128 ( -0.925 -1.069 -6.706) 6.854 15.193 ( -3.330 0.942 -0.942) 3.587 15.234 ( -3.603 -2.186 -2.297) 4.799 15.481 ( -1.218 4.230 4.898) 6.586 15.557 ( -0.945 -1.255 2.754) 3.171 15.918 ( -4.553 1.332 5.271) 7.091 15.994 ( -3.734 -4.095 1.035) 5.638 17.083 ( 5.316 2.293 2.340) 6.245 17.141 ( 4.947 -2.306 2.578) 6.036 17.191 ( 4.372 0.625 -1.698) 4.732 17.207 ( 6.735 -0.702 -3.809) 7.769 17.389 ( 4.636 1.178 1.653) 5.061 17.426 ( 3.973 -1.902 2.151) 4.901 17.499 ( 2.961 -0.133 -2.005) 3.578 17.512 ( 2.382 -1.306 -1.781) 3.248 17.714 ( -5.290 0.571 2.234) 5.771 17.724 ( -5.254 -0.071 2.773) 5.942 17.780 ( -5.424 2.054 -0.500) 5.821 17.803 ( -5.269 0.166 -0.454) 5.291 19.391 ( -0.480 0.074 -0.338) 0.592 19.394 ( -0.445 -0.189 -0.291) 0.564 19.409 ( -0.898 0.616 -1.067) 1.525 19.421 ( -0.976 -0.359 -2.177) 2.413 19.639 ( 0.389 0.170 -3.149) 3.177 19.643 ( 0.139 -0.098 -2.313) 2.319 19.840 ( -2.030 0.280 -3.458) 4.020 19.851 ( -1.984 -0.582 -3.991) 4.495 20.326 ( 0.161 0.206 1.239) 1.267 20.331 ( 0.145 -0.180 0.987) 1.014 20.344 ( 0.218 0.188 -0.388) 0.483 20.349 ( 0.156 -0.207 -0.676) 0.724 21.019 ( 0.364 0.336 -0.897) 1.025 21.028 ( 0.157 -0.463 -1.265) 1.356 21.050 ( 0.117 0.368 -2.873) 2.898 21.055 ( -0.030 -0.067 -2.981) 2.982 22.028 ( 0.129 0.218 0.710) 0.754 22.034 ( 0.187 -0.232 0.796) 0.850 22.042 ( 0.125 0.307 -0.525) 0.621 22.050 ( 0.293 -0.372 -0.686) 0.834 23.635 ( -0.221 0.113 0.174) 0.303 23.638 ( -0.223 -0.179 -0.290) 0.407 23.739 ( -0.571 0.169 0.051) 0.597 23.743 ( -0.463 -0.145 -0.534) 0.721 26.581 ( 4.330 0.518 0.326) 4.373 26.595 ( 3.730 -0.649 -0.481) 3.816 26.659 ( 2.551 0.370 -0.586) 2.644 26.666 ( 3.391 -0.155 0.042) 3.394 26.764 ( -2.023 0.792 1.865) 2.863 26.782 ( -1.846 -0.686 1.816) 2.679 26.822 ( -2.738 0.560 -3.708) 4.643 26.836 ( -3.228 -0.535 -4.047) 5.204 27.355 ( -0.752 0.470 4.799) 4.881 27.370 ( -0.707 -0.730 3.834) 3.967 27.412 ( -0.265 0.959 2.253) 2.463 27.432 ( -0.393 -0.687 1.534) 1.726 30.574 ( 0.223 0.275 0.706) 0.790 30.581 ( 0.298 -0.361 0.511) 0.693 30.589 ( 0.214 0.140 -0.402) 0.477 30.593 ( 0.269 -0.156 -0.357) 0.473 31.853 ( -0.091 -0.135 2.889) 2.894 31.854 ( 0.023 -0.238 3.403) 3.411 31.912 ( 0.376 0.969 -3.393) 3.549 31.937 ( 0.628 -1.095 -4.685) 4.853 32.832 ( -0.262 0.493 1.689) 1.779 32.847 ( 1.001 -0.639 0.956) 1.525 32.947 ( -3.512 4.322 1.718) 5.828 33.012 ( -5.902 -0.834 2.369) 6.414 33.091 ( -1.495 -0.239 0.191) 1.526 33.133 ( 0.581 -3.828 0.944) 3.985 33.291 ( -0.717 4.163 -1.438) 4.462 33.396 ( -0.148 -4.332 -4.890) 6.535 33.610 ( 0.718 1.047 3.732) 3.942 33.632 ( 0.756 -0.559 2.048) 2.253 33.698 ( 2.133 2.393 -1.734) 3.645 33.757 ( 1.051 -2.281 -4.703) 5.332 34.226 ( -0.792 2.444 0.008) 2.570 34.278 ( -2.169 -1.656 -4.857) 5.571 34.594 ( -1.439 0.424 0.438) 1.563 34.606 ( -1.893 -0.561 -1.932) 2.762 36.406 ( -1.136 0.612 5.313) 5.468 36.419 ( -1.134 -0.428 4.207) 4.378 36.573 ( 0.042 1.176 6.316) 6.425 36.616 ( 0.319 -2.248 3.260) 3.972 37.632 ( -0.017 -0.110 -3.460) 3.462 37.646 ( 0.087 -1.138 -4.327) 4.475 37.691 ( 0.503 1.262 -3.789) 4.025 37.707 ( 0.184 -0.129 -5.420) 5.425 =================== 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 3/25200 10.0 1168.445 891.823 452.807 0.000 -181.785 0.000 3/25200 20.0 140.311 124.331 53.401 0.000 -17.266 0.000 3/25200 30.0 47.577 43.366 19.543 0.000 -5.144 0.000 3/25200 40.0 24.621 22.566 10.857 0.000 -2.454 0.000 3/25200 50.0 15.657 14.337 7.280 0.000 -1.480 0.000 3/25200 60.0 11.163 10.197 5.405 0.000 -1.016 0.000 3/25200 70.0 8.548 7.789 4.274 0.000 -0.756 0.000 3/25200 80.0 6.873 6.247 3.528 0.000 -0.594 0.000 3/25200 90.0 5.725 5.192 3.006 0.000 -0.485 0.000 3/25200 100.0 4.898 4.433 2.622 0.000 -0.409 0.000 3/25200 110.0 4.277 3.864 2.329 0.000 -0.352 0.000 3/25200 120.0 3.797 3.424 2.099 0.000 -0.309 0.000 3/25200 130.0 3.415 3.074 1.914 0.000 -0.275 0.000 3/25200 140.0 3.104 2.790 1.763 0.000 -0.248 0.000 3/25200 150.0 2.847 2.556 1.636 0.000 -0.226 0.000 3/25200 160.0 2.631 2.358 1.528 0.000 -0.207 0.000 3/25200 170.0 2.446 2.190 1.435 0.000 -0.191 0.000 3/25200 180.0 2.287 2.045 1.355 0.000 -0.178 0.000 3/25200 190.0 2.148 1.919 1.283 0.000 -0.166 0.000 3/25200 200.0 2.026 1.808 1.220 0.000 -0.156 0.000 3/25200 210.0 1.917 1.709 1.164 0.000 -0.147 0.000 3/25200 220.0 1.820 1.621 1.113 0.000 -0.140 0.000 3/25200 230.0 1.733 1.542 1.067 0.000 -0.132 0.000 3/25200 240.0 1.654 1.471 1.025 0.000 -0.126 0.000 3/25200 250.0 1.582 1.406 0.986 0.000 -0.120 0.000 3/25200 260.0 1.516 1.347 0.950 0.000 -0.115 0.000 3/25200 270.0 1.456 1.292 0.918 0.000 -0.110 0.000 3/25200 280.0 1.401 1.242 0.887 0.000 -0.106 0.000 3/25200 290.0 1.349 1.196 0.859 0.000 -0.102 0.000 3/25200 300.0 1.302 1.154 0.832 0.000 -0.098 0.000 3/25200 310.0 1.258 1.114 0.808 0.000 -0.095 0.000 3/25200 320.0 1.217 1.077 0.784 0.000 -0.092 0.000 3/25200 330.0 1.178 1.042 0.762 0.000 -0.089 0.000 3/25200 340.0 1.142 1.010 0.742 0.000 -0.086 0.000 3/25200 350.0 1.108 0.980 0.722 0.000 -0.083 0.000 3/25200 360.0 1.076 0.951 0.704 0.000 -0.081 0.000 3/25200 370.0 1.046 0.924 0.686 0.000 -0.078 0.000 3/25200 380.0 1.018 0.899 0.670 0.000 -0.076 0.000 3/25200 390.0 0.991 0.875 0.654 0.000 -0.074 0.000 3/25200 400.0 0.966 0.852 0.639 0.000 -0.072 0.000 3/25200 410.0 0.942 0.831 0.625 0.000 -0.070 0.000 3/25200 420.0 0.919 0.810 0.611 0.000 -0.069 0.000 3/25200 430.0 0.897 0.791 0.598 0.000 -0.067 0.000 3/25200 440.0 0.876 0.772 0.586 0.000 -0.065 0.000 3/25200 450.0 0.856 0.754 0.574 0.000 -0.064 0.000 3/25200 460.0 0.837 0.738 0.562 0.000 -0.062 0.000 3/25200 470.0 0.819 0.722 0.551 0.000 -0.061 0.000 3/25200 480.0 0.802 0.706 0.541 0.000 -0.060 0.000 3/25200 490.0 0.785 0.691 0.531 0.000 -0.058 0.000 3/25200 500.0 0.769 0.677 0.521 0.000 -0.057 0.000 3/25200 510.0 0.754 0.664 0.511 0.000 -0.056 0.000 3/25200 520.0 0.740 0.651 0.502 0.000 -0.055 0.000 3/25200 530.0 0.725 0.638 0.494 0.000 -0.054 0.000 3/25200 540.0 0.712 0.626 0.485 0.000 -0.053 0.000 3/25200 550.0 0.699 0.615 0.477 0.000 -0.052 0.000 3/25200 560.0 0.686 0.603 0.469 0.000 -0.051 0.000 3/25200 570.0 0.674 0.593 0.462 0.000 -0.050 0.000 3/25200 580.0 0.662 0.582 0.454 0.000 -0.049 0.000 3/25200 590.0 0.651 0.572 0.447 0.000 -0.048 0.000 3/25200 600.0 0.640 0.563 0.440 0.000 -0.047 0.000 3/25200 610.0 0.630 0.553 0.434 0.000 -0.047 0.000 3/25200 620.0 0.619 0.544 0.427 0.000 -0.046 0.000 3/25200 630.0 0.610 0.535 0.421 0.000 -0.045 0.000 3/25200 640.0 0.600 0.527 0.415 0.000 -0.044 0.000 3/25200 650.0 0.591 0.519 0.409 0.000 -0.044 0.000 3/25200 660.0 0.582 0.511 0.403 0.000 -0.043 0.000 3/25200 670.0 0.573 0.503 0.398 0.000 -0.042 0.000 3/25200 680.0 0.565 0.496 0.392 0.000 -0.042 0.000 3/25200 690.0 0.556 0.488 0.387 0.000 -0.041 0.000 3/25200 700.0 0.548 0.481 0.382 0.000 -0.041 0.000 3/25200 710.0 0.541 0.475 0.377 0.000 -0.040 0.000 3/25200 720.0 0.533 0.468 0.372 0.000 -0.039 0.000 3/25200 730.0 0.526 0.462 0.367 0.000 -0.039 0.000 3/25200 740.0 0.519 0.455 0.362 0.000 -0.038 0.000 3/25200 750.0 0.512 0.449 0.358 0.000 -0.038 0.000 3/25200 760.0 0.505 0.443 0.354 0.000 -0.037 0.000 3/25200 770.0 0.499 0.437 0.349 0.000 -0.037 0.000 3/25200 780.0 0.492 0.432 0.345 0.000 -0.036 0.000 3/25200 790.0 0.486 0.426 0.341 0.000 -0.036 0.000 3/25200 800.0 0.480 0.421 0.337 0.000 -0.035 0.000 3/25200 810.0 0.474 0.416 0.333 0.000 -0.035 0.000 3/25200 820.0 0.468 0.411 0.329 0.000 -0.035 0.000 3/25200 830.0 0.463 0.406 0.326 0.000 -0.034 0.000 3/25200 840.0 0.457 0.401 0.322 0.000 -0.034 0.000 3/25200 850.0 0.452 0.396 0.318 0.000 -0.033 0.000 3/25200 860.0 0.446 0.391 0.315 0.000 -0.033 0.000 3/25200 870.0 0.441 0.387 0.312 0.000 -0.033 0.000 3/25200 880.0 0.436 0.383 0.308 0.000 -0.032 0.000 3/25200 890.0 0.431 0.378 0.305 0.000 -0.032 0.000 3/25200 900.0 0.427 0.374 0.302 0.000 -0.031 0.000 3/25200 910.0 0.422 0.370 0.299 0.000 -0.031 0.000 3/25200 920.0 0.417 0.366 0.296 0.000 -0.031 0.000 3/25200 930.0 0.413 0.362 0.293 0.000 -0.030 0.000 3/25200 940.0 0.408 0.358 0.290 0.000 -0.030 0.000 3/25200 950.0 0.404 0.354 0.287 0.000 -0.030 0.000 3/25200 960.0 0.400 0.351 0.284 0.000 -0.029 0.000 3/25200 970.0 0.396 0.347 0.281 0.000 -0.029 0.000 3/25200 980.0 0.392 0.343 0.279 0.000 -0.029 0.000 3/25200 990.0 0.388 0.340 0.276 0.000 -0.029 0.000 3/25200 1000.0 0.384 0.337 0.273 0.000 -0.028 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m537.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:21:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|